smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(N2C(=O)c3ccccc3[C@H]2C(=O)c2ccc(C)c(C)c2O)cc1 ZINC000096902155 210240138 /nfs/dbraw/zinc/24/01/38/210240138.db2.gz OZVUPDHCCWNUGQ-NRFANRHFSA-N 0 0 371.436 4.902 40 0 FJABRN NC(=O)Cc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1Cl ZINC000041127453 210186797 /nfs/dbraw/zinc/18/67/97/210186797.db2.gz WXRNNCQODAWRIQ-UHFFFAOYSA-N 0 0 362.816 4.843 40 0 FJABRN CC(C)OC(=O)/C=C/c1ccc(-c2ccc(Br)cc2F)o1 ZINC000020160067 210173321 /nfs/dbraw/zinc/17/33/21/210173321.db2.gz LJBXCSQJOVUBHP-VMPITWQZSA-N 0 0 353.187 4.813 40 0 FJABRN COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000199830621 210172323 /nfs/dbraw/zinc/17/23/23/210172323.db2.gz RUHCZFKRVOOAIQ-ZDUSSCGKSA-N 0 0 356.260 4.530 40 0 FJABRN OCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000034772826 210170745 /nfs/dbraw/zinc/17/07/45/210170745.db2.gz GLQSMWWARAQTRK-UHFFFAOYSA-N 0 0 362.050 4.827 40 0 FJABRN CC[C@H](Oc1ccc(F)cc1)C(=O)NCCCc1ccc(OC(C)C)cc1 ZINC000216316238 222663435 /nfs/dbraw/zinc/66/34/35/222663435.db2.gz SYFPBDQPDZOUFV-NRFANRHFSA-N 0 0 373.468 4.519 40 0 FJABRN CCOc1cc(C(=O)OC)cc(Cl)c1OCc1ccccc1Cl ZINC000216829578 210162329 /nfs/dbraw/zinc/16/23/29/210162329.db2.gz QVRYAOXGLJOIEJ-UHFFFAOYSA-N 0 0 355.217 4.758 40 0 FJABRN CCNc1ccc2oc(-c3cccc(I)c3)nc2c1 ZINC000216842233 210161852 /nfs/dbraw/zinc/16/18/52/210161852.db2.gz RZZBDCCGQJJRNU-UHFFFAOYSA-N 0 0 364.186 4.531 40 0 FJABRN CCOc1cc(C(=O)OC)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000216829984 210161678 /nfs/dbraw/zinc/16/16/78/210161678.db2.gz KUMHALZNGNHFKN-UHFFFAOYSA-N 0 0 355.217 4.758 40 0 FJABRN Brc1ccc(Cc2nc3ccc(-n4cccc4)cc3o2)cc1 ZINC000216742604 210156812 /nfs/dbraw/zinc/15/68/12/210156812.db2.gz INNUMLULZDWMCO-UHFFFAOYSA-N 0 0 353.219 4.972 40 0 FJABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1cc(C)cc(C)c1C ZINC000218969405 222692058 /nfs/dbraw/zinc/69/20/58/222692058.db2.gz FFBGLTAOZBSMJF-LJQANCHMSA-N 0 0 367.489 4.718 40 0 FJABRN Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1ccccc1Cl)CC(C)(C)O2 ZINC000219059297 222693557 /nfs/dbraw/zinc/69/35/57/222693557.db2.gz FRJVNTYVBIVBHQ-YOEHRIQHSA-N 0 0 373.880 4.834 40 0 FJABRN CC[C@@H](Oc1ccccc1OC)C(=O)N[C@@H](CC)c1ccc(C)cc1C ZINC000219567313 222703421 /nfs/dbraw/zinc/70/34/21/222703421.db2.gz RXOQHQLUCVSNCE-RBUKOAKNSA-N 0 0 355.478 4.737 40 0 FJABRN CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000219596199 222704585 /nfs/dbraw/zinc/70/45/85/222704585.db2.gz PXXSLUYAJIITKA-UXHICEINSA-N 0 0 367.489 4.879 40 0 FJABRN CC(C)Sc1ccccc1C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000219660000 222706748 /nfs/dbraw/zinc/70/67/48/222706748.db2.gz JWWKJZZNUXRXMQ-UHFFFAOYSA-N 0 0 373.503 4.571 40 0 FJABRN Clc1cc(Nc2c(Cl)cccc2Cl)nc(-c2ccncc2)n1 ZINC000329068592 210134765 /nfs/dbraw/zinc/13/47/65/210134765.db2.gz YQVUOVFXVBNQCU-UHFFFAOYSA-N 0 0 351.624 4.664 40 0 FJABRN CC[C@H](C)Nc1nc(Nc2c(F)cccc2Cl)cc(-c2ccccc2)n1 ZINC000328985359 210129609 /nfs/dbraw/zinc/12/96/09/210129609.db2.gz HTBAJWWZUPRRPI-ZDUSSCGKSA-N 0 0 370.859 4.734 40 0 FJABRN CC[C@H](C)Nc1nc(Nc2ccc(Cl)cc2)cc(-c2ccncc2)n1 ZINC000329000131 210129312 /nfs/dbraw/zinc/12/93/12/210129312.db2.gz KAAGFULQQUAROH-ZDUSSCGKSA-N 0 0 353.857 4.568 40 0 FJABRN Cc1cc(OC(F)(F)F)ccc1Nc1cc(C2CC2)nc(NC(C)C)n1 ZINC000329005956 210128630 /nfs/dbraw/zinc/12/86/30/210128630.db2.gz LBHPARRWUBCIQM-UHFFFAOYSA-N 0 0 366.387 4.547 40 0 FJABRN CC(C)(C)Nc1nc(Nc2cccc(OC(F)(F)F)c2)cc(C2CC2)n1 ZINC000328977372 210126243 /nfs/dbraw/zinc/12/62/43/210126243.db2.gz FTSWATWQRYTILA-UHFFFAOYSA-N 0 0 366.387 4.629 40 0 FJABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(OC(C)C)cc3)N21 ZINC000222664288 222744764 /nfs/dbraw/zinc/74/47/64/222744764.db2.gz YZGPCSBRKBQCNR-LSTHTHJFSA-N 0 0 367.518 4.848 40 0 FJABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(C4CC4)c3C)N21 ZINC000222682707 222745768 /nfs/dbraw/zinc/74/57/68/222745768.db2.gz DOGKQYFCXVLMDF-CDHQVMDDSA-N 0 0 366.534 4.814 40 0 FJABRN CCCOC(=O)c1ccc(NC(=O)CCCOc2ccc(C)cc2C)cc1 ZINC000001913944 210076478 /nfs/dbraw/zinc/07/64/78/210076478.db2.gz HPPHYGNPJLLZLX-UHFFFAOYSA-N 0 0 369.461 4.668 40 0 FJABRN Cc1ccc(Br)cc1SCC(=O)Nc1ccc(F)cc1 ZINC000000938573 210073614 /nfs/dbraw/zinc/07/36/14/210073614.db2.gz HVJKWHNTZPSAGC-UHFFFAOYSA-N 0 0 354.244 4.627 40 0 FJABRN Cc1cccc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)c1 ZINC000072229841 210066721 /nfs/dbraw/zinc/06/67/21/210066721.db2.gz ILOKIPODSZOXSV-HXUWFJFHSA-N 0 0 351.833 4.982 40 0 FJABRN Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(N)c1 ZINC000070462927 210062966 /nfs/dbraw/zinc/06/29/66/210062966.db2.gz GPFQESDZRGPXJJ-LLVKDONJSA-N 0 0 353.249 4.598 40 0 FJABRN CC[C@@H](Oc1ccccc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000222866438 222753533 /nfs/dbraw/zinc/75/35/33/222753533.db2.gz ASJLFEWZMRBCTI-RTBURBONSA-N 0 0 353.462 4.571 40 0 FJABRN CCc1ccc(O[C@H](CC)C(=O)Nc2ccccc2Br)cc1 ZINC000222873520 222754618 /nfs/dbraw/zinc/75/46/18/222754618.db2.gz PVWJWKVBEPMIFQ-QGZVFWFLSA-N 0 0 362.267 4.808 40 0 FJABRN Cc1cc(O[C@H](C)C(=O)NCc2cccc3ccccc32)ccc1Cl ZINC000222891921 222754895 /nfs/dbraw/zinc/75/48/95/222754895.db2.gz QFEOHPDUQXIKIO-OAHLLOKOSA-N 0 0 353.849 4.885 40 0 FJABRN CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000222971227 222760564 /nfs/dbraw/zinc/76/05/64/222760564.db2.gz DEWBLFYNQOJWFS-AOMKIAJQSA-N 0 0 367.489 4.609 40 0 FJABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 ZINC000223220159 222769629 /nfs/dbraw/zinc/76/96/29/222769629.db2.gz BVAQTBXTHYENAF-VGOFRKELSA-N 0 0 351.490 4.827 40 0 FJABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000223254479 222770046 /nfs/dbraw/zinc/77/00/46/222770046.db2.gz BPAPGJCWHNKVKE-INIZCTEOSA-N 0 0 367.474 4.618 40 0 FJABRN Cc1ccc(CSCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 ZINC000223399954 222778297 /nfs/dbraw/zinc/77/82/97/222778297.db2.gz WTMZKWDIYIYXHS-UHFFFAOYSA-N 0 0 362.498 4.853 40 0 FJABRN Cc1ccc(SCC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 ZINC000223388689 222777760 /nfs/dbraw/zinc/77/77/60/222777760.db2.gz IFJOCSBGDGMYCG-UHFFFAOYSA-N 0 0 357.519 4.580 40 0 FJABRN COc1cc(OC)cc(-c2nnc(SCc3ccccc3Cl)o2)c1 ZINC000000783403 219320829 /nfs/dbraw/zinc/32/08/29/219320829.db2.gz KLXUUNSQFWKNTF-UHFFFAOYSA-N 0 0 362.838 4.700 40 0 FJABRN CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2)nnc1C1CCCCC1 ZINC000000906677 219338493 /nfs/dbraw/zinc/33/84/93/219338493.db2.gz XTCQNZVHAPYVOD-OAHLLOKOSA-N 0 0 372.538 4.773 40 0 FJABRN Fc1ccc2[nH]c3nc(SCc4c(F)cccc4Cl)nnc3c2c1 ZINC000000907689 219339375 /nfs/dbraw/zinc/33/93/75/219339375.db2.gz MIYGEVAIAKMHPN-UHFFFAOYSA-N 0 0 362.792 4.730 40 0 FJABRN COc1ccc(C)cc1NC(=O)CSc1nc2c(C)cccc2cc1C ZINC000000875722 219333837 /nfs/dbraw/zinc/33/38/37/219333837.db2.gz OCXWEDBMHCUULQ-UHFFFAOYSA-N 0 0 366.486 4.899 40 0 FJABRN COc1ccc2nc(SCC(=O)Nc3c(C)cccc3C)c(C)cc2c1 ZINC000000881231 219335244 /nfs/dbraw/zinc/33/52/44/219335244.db2.gz PEGHACJCGNNYRP-UHFFFAOYSA-N 0 0 366.486 4.899 40 0 FJABRN Cc1cc(C)c2cc(C)c(SCC(=O)NCCc3ccccc3)nc2c1 ZINC000000932958 219342258 /nfs/dbraw/zinc/34/22/58/219342258.db2.gz XXYHCJIOHNKWPT-UHFFFAOYSA-N 0 0 364.514 4.611 40 0 FJABRN Cc1ccc(C)c(OCCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 ZINC000224010301 222803988 /nfs/dbraw/zinc/80/39/88/222803988.db2.gz PLMYXYMDFABKLN-SFHVURJKSA-N 0 0 369.505 4.563 40 0 FJABRN CC[C@@H](NC(=O)COc1ccc2c(c1)CCCC2)c1ccc(OC)c(C)c1 ZINC000224029751 222804585 /nfs/dbraw/zinc/80/45/85/222804585.db2.gz JWOVQSOFSCXCOI-OAQYLSRUSA-N 0 0 367.489 4.529 40 0 FJABRN COc1ccc(C(=O)Nc2ccccc2F)cc1COc1ccccc1 ZINC000224085729 222806538 /nfs/dbraw/zinc/80/65/38/222806538.db2.gz ZJDGROYJNVPAMO-UHFFFAOYSA-N 0 0 351.377 4.666 40 0 FJABRN CCC[C@@H](C)NC(=O)c1ccc(OC)c(COc2ccc(Cl)cc2)c1 ZINC000224162750 222807441 /nfs/dbraw/zinc/80/74/41/222807441.db2.gz BRVOMOAXLGVXQV-CQSZACIVSA-N 0 0 361.869 4.846 40 0 FJABRN COc1ccc(C(=O)NC(C)(C)C)cc1COc1cc(C)cc(C)c1C ZINC000224273941 222811180 /nfs/dbraw/zinc/81/11/80/222811180.db2.gz HGONDZZPQVYFKP-UHFFFAOYSA-N 0 0 355.478 4.728 40 0 FJABRN CCOc1ccc(C(=O)NCC(C)C)cc1COc1ccccc1Cl ZINC000224474509 222814494 /nfs/dbraw/zinc/81/44/94/222814494.db2.gz VWJWBIGASKNEQJ-UHFFFAOYSA-N 0 0 361.869 4.704 40 0 FJABRN CCOc1ccc(C(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)cc1C ZINC000224561780 222815543 /nfs/dbraw/zinc/81/55/43/222815543.db2.gz FEJGVQRDCKAOOG-FQEVSTJZSA-N 0 0 355.478 4.920 40 0 FJABRN CCOc1ccc(C(=O)N2CCCC2)cc1COc1ccc(C)c(C)c1 ZINC000224623804 222817140 /nfs/dbraw/zinc/81/71/40/222817140.db2.gz XHDHSORJBQYYJC-UHFFFAOYSA-N 0 0 353.462 4.517 40 0 FJABRN Cc1ccc(C(=O)Nc2cc(NC(=O)c3cccs3)ccc2C)cc1 ZINC000001329966 219396137 /nfs/dbraw/zinc/39/61/37/219396137.db2.gz VQKCZEWQDTYFEI-UHFFFAOYSA-N 0 0 350.443 4.870 40 0 FJABRN S=C(Nc1ccc(Cl)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000001327052 219395406 /nfs/dbraw/zinc/39/54/06/219395406.db2.gz LZZKMRYPSJIKOD-UHFFFAOYSA-N 0 0 370.909 4.793 40 0 FJABRN CC(C)Sc1nnc2c3c4c(sc3nc(C3CC3)n12)C[C@@H](C)CC4 ZINC000001339689 219395861 /nfs/dbraw/zinc/39/58/61/219395861.db2.gz MDFTXCJJNZZISC-JTQLQIEISA-N 0 0 358.536 4.842 40 0 FJABRN CCCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1C(C)C ZINC000001364263 219398909 /nfs/dbraw/zinc/39/89/09/219398909.db2.gz NOXMXDAHVLXENQ-UHFFFAOYSA-N 0 0 366.918 4.504 40 0 FJABRN Cc1cccc(NC(=S)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1C ZINC000001358368 219399276 /nfs/dbraw/zinc/39/92/76/219399276.db2.gz FBKHKUJYBJMIJC-INIZCTEOSA-N 0 0 364.518 4.756 40 0 FJABRN Cc1ccc2cc3c(N)c(C(=O)Nc4ccccc4F)sc3nc2c1 ZINC000001342841 219397052 /nfs/dbraw/zinc/39/70/52/219397052.db2.gz LVRHHGDSEYYMPA-UHFFFAOYSA-N 0 0 351.406 4.732 40 0 FJABRN Clc1cccc(-c2cc3nc4c(c(NCC5CC5)n3n2)CCCC4)c1 ZINC000001341715 219397072 /nfs/dbraw/zinc/39/70/72/219397072.db2.gz WJTVZQHGSKPNON-UHFFFAOYSA-N 0 0 352.869 4.750 40 0 FJABRN CNc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2C)c(C)s1 ZINC000001354441 219397979 /nfs/dbraw/zinc/39/79/79/219397979.db2.gz ORXDGBRUVXJXRO-UHFFFAOYSA-N 0 0 363.486 4.672 40 0 FJABRN CCOc1ccc(-c2cnc(CCC(=O)Nc3ccc(Cl)cc3)o2)cc1 ZINC000224857371 222821281 /nfs/dbraw/zinc/82/12/81/222821281.db2.gz WALFHNMMYQISPP-UHFFFAOYSA-N 0 0 370.836 4.965 40 0 FJABRN COc1cccc(-c2cnc(-c3ccccc3C(=O)NCc3ccco3)o2)c1 ZINC000224898211 222822855 /nfs/dbraw/zinc/82/28/55/222822855.db2.gz LLPYXGOBSHCSMD-UHFFFAOYSA-N 0 0 374.396 4.540 40 0 FJABRN CCOc1ccccc1N(CC)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224930151 222823856 /nfs/dbraw/zinc/82/38/56/222823856.db2.gz HLBHUEDPPPMBTJ-UHFFFAOYSA-N 0 0 374.289 4.607 40 0 FJABRN O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1cccc(F)c1 ZINC000224955209 222823862 /nfs/dbraw/zinc/82/38/62/222823862.db2.gz YDAHLBAYLBRRKK-UHFFFAOYSA-N 0 0 358.265 4.796 40 0 FJABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000225048983 222826263 /nfs/dbraw/zinc/82/62/63/222826263.db2.gz YBRVXPJSWJVWFT-AWEZNQCLSA-N 0 0 373.865 4.655 40 0 FJABRN O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(Cc2ccncc2)cc1 ZINC000225172417 222830019 /nfs/dbraw/zinc/83/00/19/222830019.db2.gz VSRDNHXBCSBKEX-UHFFFAOYSA-N 0 0 372.468 4.569 40 0 FJABRN Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)COc2ccc(C)c(C)c2)c1 ZINC000225214272 222831773 /nfs/dbraw/zinc/83/17/73/222831773.db2.gz USLMGFAJFRQVKU-IBGZPJMESA-N 0 0 369.505 4.698 40 0 FJABRN COc1ccc(OC[C@H](C)NC(=S)Nc2ccc(C(C)C)cc2)cc1 ZINC000225264017 222832728 /nfs/dbraw/zinc/83/27/28/222832728.db2.gz HOXFPOULVKYTQV-HNNXBMFYSA-N 0 0 358.507 4.573 40 0 FJABRN O=C(CCc1ccc(Cl)c(Cl)c1)NCCCOC1CCCCC1 ZINC000225335906 222834295 /nfs/dbraw/zinc/83/42/95/222834295.db2.gz MCFNGMYHYSSNCO-UHFFFAOYSA-N 0 0 358.309 4.782 40 0 FJABRN Cc1ccc(CCCNC(=O)CCc2ccc(Cl)c(Cl)c2)cc1 ZINC000225329744 222834505 /nfs/dbraw/zinc/83/45/05/222834505.db2.gz PEIBDMQTTVZNRV-UHFFFAOYSA-N 0 0 350.289 4.983 40 0 FJABRN O=C1C[C@H](c2ccc(Cl)cc2)c2cccn2-c2cc3c(cc21)OCCO3 ZINC000225380416 222837198 /nfs/dbraw/zinc/83/71/98/222837198.db2.gz AZZQCAILELBFOK-OAHLLOKOSA-N 0 0 365.816 4.620 40 0 FJABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=S)Nc1ccc(Cl)cc1 ZINC000225462755 222842344 /nfs/dbraw/zinc/84/23/44/222842344.db2.gz PTNQIGFKQCPJHA-GFCCVEGCSA-N 0 0 361.898 4.677 40 0 FJABRN CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(C)cc2C)c(C)c1 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352.604 4.991 40 0 FJABRN CSc1ccccc1C(=O)NCCSCc1c(F)cccc1Cl ZINC000014155809 570845343 /nfs/dbraw/zinc/84/53/43/570845343.db2.gz IDCHILLQAJURTG-UHFFFAOYSA-N 0 0 369.914 4.864 40 0 FJABRN CCCCc1ccc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)cc1 ZINC000014258357 570846579 /nfs/dbraw/zinc/84/65/79/570846579.db2.gz NWRIZEWXFTWACU-UHFFFAOYSA-N 0 0 355.331 4.847 40 0 FJABRN CCc1ccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1 ZINC000014258441 570846619 /nfs/dbraw/zinc/84/66/19/570846619.db2.gz CNXJOEOJVFRKLJ-UHFFFAOYSA-N 0 0 358.441 4.683 40 0 FJABRN COc1c(Cl)cc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000014258539 570846932 /nfs/dbraw/zinc/84/69/32/570846932.db2.gz KTHDSCOLVNIASM-UHFFFAOYSA-N 0 0 354.277 4.701 40 0 FJABRN Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc(C)c1Cl ZINC000014396988 570848246 /nfs/dbraw/zinc/84/82/46/570848246.db2.gz ZUXNCPBDATWCBQ-IRXDYDNUSA-N 0 0 359.897 4.862 40 0 FJABRN S=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2Cl)CC1 ZINC000016221553 570852490 /nfs/dbraw/zinc/85/24/90/570852490.db2.gz NUKUXHJJTDQGGM-UHFFFAOYSA-N 0 0 366.317 4.512 40 0 FJABRN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000014401232 570853766 /nfs/dbraw/zinc/85/37/66/570853766.db2.gz GJYZFILPKVWKEZ-VIFPVBQESA-N 0 0 361.722 4.904 40 0 FJABRN CCCOc1ccc(Br)cc1C(=O)Nc1ccccc1F ZINC000014651908 570856017 /nfs/dbraw/zinc/85/60/17/570856017.db2.gz XUHGVNLENJGBBD-UHFFFAOYSA-N 0 0 352.203 4.629 40 0 FJABRN CCOc1ccc(Br)cc1C(=O)Nc1ccc(Cl)cc1 ZINC000014654408 570856063 /nfs/dbraw/zinc/85/60/63/570856063.db2.gz FISHZRVOZIKEEV-UHFFFAOYSA-N 0 0 354.631 4.754 40 0 FJABRN COc1cc(CNc2ccc(C)cc2C)cc(Br)c1OC ZINC000037409559 570860520 /nfs/dbraw/zinc/86/05/20/570860520.db2.gz PAZOTDZKIMIBIE-UHFFFAOYSA-N 0 0 350.256 4.695 40 0 FJABRN COc1cc(NC(=S)Nc2ccc(C(C)C)cc2)cc(OC)c1OC ZINC000016213336 570866360 /nfs/dbraw/zinc/86/63/60/570866360.db2.gz OXNXQLMIBVELMT-UHFFFAOYSA-N 0 0 360.479 4.645 40 0 FJABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(Cl)ccc2Cl)c1 ZINC000017073137 570868899 /nfs/dbraw/zinc/86/88/99/570868899.db2.gz BCMCMWBXELASHF-UHFFFAOYSA-N 0 0 353.274 4.737 40 0 FJABRN CCn1c(SCCOc2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000058100048 570868908 /nfs/dbraw/zinc/86/89/08/570868908.db2.gz SCXRNLXVWAWCFD-UHFFFAOYSA-N 0 0 359.882 4.790 40 0 FJABRN CC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@@H](OC(C)=O)[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@]12C ZINC000119377902 570871849 /nfs/dbraw/zinc/87/18/49/570871849.db2.gz IAAONRVTBJWTGZ-NKUNJCMESA-N 0 0 374.521 4.502 40 0 FJABRN Cc1ccccc1C(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000019814583 570873516 /nfs/dbraw/zinc/87/35/16/570873516.db2.gz ZJWWJSYIKCIDTF-UHFFFAOYSA-N 0 0 355.397 4.964 40 0 FJABRN CCc1cccc(CC)c1NC(=O)CCc1nc(-c2ccc(C)cc2)no1 ZINC000018945655 570878990 /nfs/dbraw/zinc/87/89/90/570878990.db2.gz JGGSZKPSXUHZKK-UHFFFAOYSA-N 0 0 363.461 4.741 40 0 FJABRN COc1ccc2[nH]c3c(c2c1)CCN(Cc1ccc(C)o1)[C@@H]3c1cccnc1 ZINC000019216633 570882449 /nfs/dbraw/zinc/88/24/49/570882449.db2.gz OIXSQMCFGBJGGT-HSZRJFAPSA-N 0 0 373.456 4.621 40 0 FJABRN COc1cccc(CN[C@H](Cc2cccs2)c2nc(C)cs2)c1OC ZINC000019240098 570884009 /nfs/dbraw/zinc/88/40/09/570884009.db2.gz CRFXVWYOIWJDJZ-MRXNPFEDSA-N 0 0 374.531 4.604 40 0 FJABRN COc1ccc(CN[C@H](Cc2ccsc2)c2nc(C)cs2)c(OC)c1 ZINC000019240235 570884229 /nfs/dbraw/zinc/88/42/29/570884229.db2.gz UVSMMHZHVKDJLC-QGZVFWFLSA-N 0 0 374.531 4.604 40 0 FJABRN Clc1ccccc1CNc1ncc(-c2ccncc2)c([C@H]2CCCO2)n1 ZINC000019349593 570886739 /nfs/dbraw/zinc/88/67/39/570886739.db2.gz OTJPRGYIAYOSJW-GOSISDBHSA-N 0 0 366.852 4.656 40 0 FJABRN Fc1ccc(CN2CCCC[C@@H]2c2nnc(-c3cccs3)o2)cc1F ZINC000019344778 570886877 /nfs/dbraw/zinc/88/68/77/570886877.db2.gz RBJYZYMQUGBGCK-OAHLLOKOSA-N 0 0 361.417 4.804 40 0 FJABRN CC(C)c1nc2ccc(NC(=O)c3ccc(Cn4ccnc4)o3)cc2s1 ZINC000019453857 570889296 /nfs/dbraw/zinc/88/92/96/570889296.db2.gz QHFHXEAZGQTKKP-UHFFFAOYSA-N 0 0 366.446 4.510 40 0 FJABRN COc1ccccc1CN[C@@H](Cc1ccsc1)c1nc(C)c(C)s1 ZINC000019559929 570893405 /nfs/dbraw/zinc/89/34/05/570893405.db2.gz KAYQTZSNUTZANS-KRWDZBQOSA-N 0 0 358.532 4.904 40 0 FJABRN Cc1nn([C@@H](C)Cn2cncc2-c2cnn(C3CCCCC3)c2)c(C)c1C ZINC000019654573 570896777 /nfs/dbraw/zinc/89/67/77/570896777.db2.gz LFMIKNPACNPSHY-HNNXBMFYSA-N 0 0 366.513 4.635 40 0 FJABRN Cc1c([C@@H](C)NC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)cnn1C ZINC000019716826 570899962 /nfs/dbraw/zinc/89/99/62/570899962.db2.gz LBCYXHUZPQHKCJ-OAHLLOKOSA-N 0 0 372.472 4.676 40 0 FJABRN Cc1nc([C@H]2CCCCN2C(C)C)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019754189 570902307 /nfs/dbraw/zinc/90/23/07/570902307.db2.gz HJBWHAUGLAXRLQ-GOSISDBHSA-N 0 0 372.900 4.626 40 0 FJABRN CCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1C)CCCCC2 ZINC000004568493 570903193 /nfs/dbraw/zinc/90/31/93/570903193.db2.gz YCHDLRDUVKNJJG-UHFFFAOYSA-N 0 0 356.491 4.926 40 0 FJABRN CC(C)c1ccc([C@H]2Cc3c(cnn3-c3nc4ccccc4[nH]3)C(=O)C2)cc1 ZINC000019817342 570903703 /nfs/dbraw/zinc/90/37/03/570903703.db2.gz PJUICKZCVMAELY-KRWDZBQOSA-N 0 0 370.456 4.785 40 0 FJABRN Cc1ccc(NC(=O)CSc2nnc(Nc3ccccc3)s2)c(C)c1 ZINC000004619309 570905098 /nfs/dbraw/zinc/90/50/98/570905098.db2.gz YUFNHDJLTOYPHC-UHFFFAOYSA-N 0 0 370.503 4.629 40 0 FJABRN CC(C)C[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000019931864 570907164 /nfs/dbraw/zinc/90/71/64/570907164.db2.gz TTYOBGUNVOGHLV-GOSISDBHSA-N 0 0 351.899 4.547 40 0 FJABRN Cc1ccc2nc(NC(=O)CCC(=O)O[C@H]3CC[C@H](C)[C@H](C)C3)sc2c1 ZINC000004686044 570907751 /nfs/dbraw/zinc/90/77/51/570907751.db2.gz MGGCOHQHXRYZCS-ZNMIVQPWSA-N 0 0 374.506 4.691 40 0 FJABRN Cc1cccc(N2CN(CCc3ccccc3)CN=C2c2ccccc2)c1 ZINC000019960664 570908222 /nfs/dbraw/zinc/90/82/22/570908222.db2.gz PSAKFOXYPRSNCL-UHFFFAOYSA-N 0 0 355.485 4.722 40 0 FJABRN Cc1ccc([C@H](NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000020035309 570908644 /nfs/dbraw/zinc/90/86/44/570908644.db2.gz NNYJHCJYZZRPNV-HXUWFJFHSA-N 0 0 371.889 4.716 40 0 FJABRN Cc1nc(-c2cccnc2)sc1C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000020030089 570908649 /nfs/dbraw/zinc/90/86/49/570908649.db2.gz NTPNNNJQAOLNMD-LLVKDONJSA-N 0 0 357.866 4.658 40 0 FJABRN Cc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)c(C)c1 ZINC000020106346 570909928 /nfs/dbraw/zinc/90/99/28/570909928.db2.gz XFIYAWSMLLMAJK-CYBMUJFWSA-N 0 0 372.317 4.791 40 0 FJABRN Cc1ccc([C@H](NS(=O)(=O)Cc2cccc(C)c2)c2ccccc2)cc1 ZINC000020111176 570910358 /nfs/dbraw/zinc/91/03/58/570910358.db2.gz RUIUBLNHJATGGK-JOCHJYFZSA-N 0 0 365.498 4.512 40 0 FJABRN COc1ccc(/C=C/C(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 ZINC000020110753 570910441 /nfs/dbraw/zinc/91/04/41/570910441.db2.gz QCIZKXUSJFEQGA-CQLKWFSRSA-N 0 0 357.453 4.923 40 0 FJABRN COc1ccc(SCC(=O)Nc2cccc3ccccc32)cc1OC ZINC000020111799 570910516 /nfs/dbraw/zinc/91/05/16/570910516.db2.gz HPZGICUNXNQICB-UHFFFAOYSA-N 0 0 353.443 4.588 40 0 FJABRN O=C(CSc1ccc(Cl)cc1)Nc1cccc(-c2ccc(CO)o2)c1 ZINC000020151197 570912632 /nfs/dbraw/zinc/91/26/32/570912632.db2.gz NEIHMXUBWSOMDZ-UHFFFAOYSA-N 0 0 373.861 4.823 40 0 FJABRN CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000020456949 570917219 /nfs/dbraw/zinc/91/72/19/570917219.db2.gz KHZSVTNONPBODV-INIZCTEOSA-N 0 0 362.267 4.862 40 0 FJABRN CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Br)cc1F ZINC000020489594 570918272 /nfs/dbraw/zinc/91/82/72/570918272.db2.gz ZUOTZYHBSHGVFE-NSHDSACASA-N 0 0 366.230 4.557 40 0 FJABRN COc1ccc(/C=C/C(=O)Nc2nnc(-c3ccc(C(C)C)cc3)o2)cc1 ZINC000020495987 570918667 /nfs/dbraw/zinc/91/86/67/570918667.db2.gz SOCLSYQWBZNBAM-AWNIVKPZSA-N 0 0 363.417 4.521 40 0 FJABRN COc1ccc(CCn2c(=O)c3ccccc3nc2-c2ccc(C)cc2)cc1 ZINC000020799317 570925447 /nfs/dbraw/zinc/92/54/47/570925447.db2.gz FTDQQRJGYYWOGU-UHFFFAOYSA-N 0 0 370.452 4.623 40 0 FJABRN C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(F)cc1 ZINC000021332849 570929782 /nfs/dbraw/zinc/92/97/82/570929782.db2.gz NGXWPVAMWZBLFP-CYBMUJFWSA-N 0 0 372.827 4.944 40 0 FJABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1c(F)cccc1F ZINC000022245847 570941857 /nfs/dbraw/zinc/94/18/57/570941857.db2.gz QPVLVCGSGKMOLV-UHFFFAOYSA-N 0 0 363.364 4.865 40 0 FJABRN CCCc1nc2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2s1 ZINC000022254775 570942388 /nfs/dbraw/zinc/94/23/88/570942388.db2.gz XUUAPOIJEZFDAQ-UHFFFAOYSA-N 0 0 356.447 4.518 40 0 FJABRN Cc1ccc([C@H](NC(=O)[C@H](C)Oc2ccccc2C)c2ccccc2)cc1 ZINC000022513481 570944991 /nfs/dbraw/zinc/94/49/91/570944991.db2.gz MOXNWAQMENQLDE-WMZHIEFXSA-N 0 0 359.469 4.977 40 0 FJABRN CC[C@@H](NC(=O)[C@H](CC)Oc1cccc(C)c1C)c1ccc(OC)cc1 ZINC000022528482 570945912 /nfs/dbraw/zinc/94/59/12/570945912.db2.gz NXIFZXJRFIMRHX-UXHICEINSA-N 0 0 355.478 4.737 40 0 FJABRN CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C(C)C)c1ccc(OC)cc1 ZINC000022531689 570946164 /nfs/dbraw/zinc/94/61/64/570946164.db2.gz VAXRETSKYPVYPO-OXQOHEQNSA-N 0 0 355.478 4.853 40 0 FJABRN Cc1cc(C)c([C@H](C)NC(=O)C(=O)Nc2cccc3ccccc32)cc1C ZINC000022540772 570946934 /nfs/dbraw/zinc/94/69/34/570946934.db2.gz XXSAMXHCZLZUAA-KRWDZBQOSA-N 0 0 360.457 4.581 40 0 FJABRN O=C(CSCc1cccc2ccccc21)NCCc1ccc(F)cc1 ZINC000023411350 570963141 /nfs/dbraw/zinc/96/31/41/570963141.db2.gz FQMHBPLFFKOMPZ-UHFFFAOYSA-N 0 0 353.462 4.571 40 0 FJABRN C[C@H](CCc1ccccc1)OC(=O)c1snnc1-c1ccc(F)cc1 ZINC000223841349 570969930 /nfs/dbraw/zinc/96/99/30/570969930.db2.gz GJRGULHJNBVULX-CYBMUJFWSA-N 0 0 356.422 4.522 40 0 FJABRN CC(C)(C)NC(=S)Nc1ccc(Sc2ccc(Cl)cc2)nc1 ZINC000223883369 570970722 /nfs/dbraw/zinc/97/07/22/570970722.db2.gz FDQVHAOZWADMGH-UHFFFAOYSA-N 0 0 351.928 4.971 40 0 FJABRN O=C(Cc1cccc(Cl)c1)NCCSCc1cccc(Cl)c1 ZINC000223902354 570971153 /nfs/dbraw/zinc/97/11/53/570971153.db2.gz FLRXCVJTGAMBBJ-UHFFFAOYSA-N 0 0 354.302 4.586 40 0 FJABRN Cc1ccc(NC(=S)NCc2ccc(-c3ccc(Cl)cc3)o2)nc1 ZINC000223913887 570971749 /nfs/dbraw/zinc/97/17/49/570971749.db2.gz MNBQLHGKRIXIGN-UHFFFAOYSA-N 0 0 357.866 4.790 40 0 FJABRN Cc1cccnc1NC(=S)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000223914685 570971796 /nfs/dbraw/zinc/97/17/96/570971796.db2.gz CLWXCZTVYYWVNX-UHFFFAOYSA-N 0 0 357.866 4.790 40 0 FJABRN O=C(NCCSC1CCCC1)c1ccccc1OCc1ccccc1 ZINC000223928428 570972265 /nfs/dbraw/zinc/97/22/65/570972265.db2.gz TVGULAPQHFQIAK-UHFFFAOYSA-N 0 0 355.503 4.671 40 0 FJABRN Cc1cccc(OCCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1C ZINC000223931210 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O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cccc(F)c1 ZINC000057315761 568273180 /nfs/dbraw/zinc/27/31/80/568273180.db2.gz IWAWGMDNTFYCQC-ZRDIBKRKSA-N 0 0 366.417 4.612 40 0 FJABRN Cc1cccc(C)c1NC(=O)CCCN1c2cccc3cccc(c23)C1=O ZINC000219450480 568275255 /nfs/dbraw/zinc/27/52/55/568275255.db2.gz CXEPWGQALSQJEA-UHFFFAOYSA-N 0 0 358.441 4.836 40 0 FJABRN Cc1ccc(O[C@@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)cc1C ZINC000219523951 568283874 /nfs/dbraw/zinc/28/38/74/568283874.db2.gz IWHTZXRGZACYFQ-IBGZPJMESA-N 0 0 353.506 4.943 40 0 FJABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000219292371 568285450 /nfs/dbraw/zinc/28/54/50/568285450.db2.gz OFXJUZAAUJUGRB-KBXCAEBGSA-N 0 0 373.880 4.834 40 0 FJABRN Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1cccc(C)c1C)CC(C)(C)O2 ZINC000219310216 568287798 /nfs/dbraw/zinc/28/77/98/568287798.db2.gz DOBNLNLIGBLOOA-PKOBYXMFSA-N 0 0 367.489 4.798 40 0 FJABRN CC[C@H](Oc1cccc(C)c1)C(=O)NCCCc1cccc(OC(C)C)c1 ZINC000219316484 568288596 /nfs/dbraw/zinc/28/85/96/568288596.db2.gz 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CCOc1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1Cl ZINC000222581267 568542050 /nfs/dbraw/zinc/54/20/50/568542050.db2.gz UEOGBWMNZFOLTR-RZAIGCCYSA-N 0 0 373.909 4.723 40 0 FJABRN Cc1c(C)n(C(C)C)c(C)c1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222588664 568542784 /nfs/dbraw/zinc/54/27/84/568542784.db2.gz RSKBDVQIEXKVEY-MRFFXTKBSA-N 0 0 368.550 4.979 40 0 FJABRN O=C(Nc1ccc(F)c(Cl)c1)c1cnc(-c2ccc(Cl)cc2)nc1 ZINC000222604890 568544415 /nfs/dbraw/zinc/54/44/15/568544415.db2.gz IFOSAJTYYRLKCM-UHFFFAOYSA-N 0 0 362.191 4.842 40 0 FJABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1C(C)C ZINC000222609669 568545180 /nfs/dbraw/zinc/54/51/80/568545180.db2.gz MLYAJRIGQZEAAA-GDIGMMSISA-N 0 0 354.523 4.670 40 0 FJABRN Cc1ccc(CC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1C ZINC000222641322 568548666 /nfs/dbraw/zinc/54/86/66/568548666.db2.gz PDFJMFBWBTVVHB-UHFFFAOYSA-N 0 0 357.866 4.657 40 0 FJABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)n1cc(C(=O)OC)c2ccccc21 ZINC000222643089 568548801 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O=C(CSCc1ccc(Cl)cc1Cl)NCCc1ccccc1 ZINC000222714918 568556431 /nfs/dbraw/zinc/55/64/31/568556431.db2.gz XHHPSMQTSCUZMR-UHFFFAOYSA-N 0 0 354.302 4.586 40 0 FJABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccn(C4CCCC4)c3)N21 ZINC000222717238 568556510 /nfs/dbraw/zinc/55/65/10/568556510.db2.gz XEEOABPBRYGBPK-LSTHTHJFSA-N 0 0 366.534 4.978 40 0 FJABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccn(-c4ccccc4)c3)N21 ZINC000222717822 568556668 /nfs/dbraw/zinc/55/66/68/568556668.db2.gz QFAVEENCTTUDON-DZFGPLHGSA-N 0 0 374.513 4.852 40 0 FJABRN O=C(CSCc1ccc(Cl)cc1Cl)N1CCc2ccccc21 ZINC000222722322 568556910 /nfs/dbraw/zinc/55/69/10/568556910.db2.gz MCASZUPMXANOJG-UHFFFAOYSA-N 0 0 352.286 4.816 40 0 FJABRN Cc1cccc(CSCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c1 ZINC000222743109 568558851 /nfs/dbraw/zinc/55/88/51/568558851.db2.gz PLULYESJUSADTD-SFHVURJKSA-N 0 0 355.503 4.647 40 0 FJABRN Cc1cccc(CSCC(=O)NCCCc2ccc(OC(C)C)cc2)c1 ZINC000222742840 568558882 /nfs/dbraw/zinc/55/88/82/568558882.db2.gz DAHBRKVUWMWXSS-UHFFFAOYSA-N 0 0 371.546 4.764 40 0 FJABRN O=S(=O)(NCc1ccc2ccccc2c1)c1cc(Cl)ccc1Cl ZINC000222772706 568561423 /nfs/dbraw/zinc/56/14/23/568561423.db2.gz SXTPKPVZFLGJQE-UHFFFAOYSA-N 0 0 366.269 4.625 40 0 FJABRN CCC1(CC)C[C@@H](NC(=O)COc2ccc(C)cc2C)c2ccccc2O1 ZINC000222787831 568563036 /nfs/dbraw/zinc/56/30/36/568563036.db2.gz ZLQHRLGLVDMFKU-LJQANCHMSA-N 0 0 367.489 4.881 40 0 FJABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000222796845 568563980 /nfs/dbraw/zinc/56/39/80/568563980.db2.gz NWHHXWZWPSIIFL-INIZCTEOSA-N 0 0 367.474 4.618 40 0 FJABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccccc1C(C)C ZINC000222812669 568566323 /nfs/dbraw/zinc/56/63/23/568566323.db2.gz XKSNHOPJYONEAA-IBGZPJMESA-N 0 0 367.489 4.916 40 0 FJABRN COc1ccc([C@H](CC(C)C)NC(=O)COc2cccc(C)c2C)cc1 ZINC000222820163 568567414 /nfs/dbraw/zinc/56/74/14/568567414.db2.gz JEZRQGCJSJVVPV-FQEVSTJZSA-N 0 0 355.478 4.594 40 0 FJABRN O=C(COc1ccc2ccccc2c1)NCCCc1ccccc1Cl ZINC000222833907 568569504 /nfs/dbraw/zinc/56/95/04/568569504.db2.gz AZAUNFSDIVSIKA-UHFFFAOYSA-N 0 0 353.849 4.621 40 0 FJABRN CC[C@H](Oc1ccccc1)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 ZINC000222864269 568573654 /nfs/dbraw/zinc/57/36/54/568573654.db2.gz JHOFNWYYQIZUEJ-RTWAWAEBSA-N 0 0 355.478 4.756 40 0 FJABRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2cc(C)cc(C)c2)c1 ZINC000222886277 568576069 /nfs/dbraw/zinc/57/60/69/568576069.db2.gz RLTTVROBOVKJEO-STZFKDTASA-N 0 0 374.440 4.614 40 0 FJABRN CCc1ccc(O[C@@H](CC)C(=O)NCCCc2ccc(Cl)cc2)cc1 ZINC000222891849 568576293 /nfs/dbraw/zinc/57/62/93/568576293.db2.gz QHOPOVOGLDCIOQ-FQEVSTJZSA-N 0 0 359.897 4.809 40 0 FJABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 ZINC000222898288 568576801 /nfs/dbraw/zinc/57/68/01/568576801.db2.gz YSYHKQGIKLZOOU-PMACEKPBSA-N 0 0 368.550 4.771 40 0 FJABRN Cc1ccc(CSCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000222904460 568577493 /nfs/dbraw/zinc/57/74/93/568577493.db2.gz WREWNJHQLVYYRM-KRWDZBQOSA-N 0 0 353.531 4.984 40 0 FJABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccc(C)cc1 ZINC000222930443 568579457 /nfs/dbraw/zinc/57/94/57/568579457.db2.gz XNVFAXZOAXWLNW-OAQYLSRUSA-N 0 0 369.505 4.645 40 0 FJABRN CCOc1ccc(CNC(=O)[C@@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000222932518 568579660 /nfs/dbraw/zinc/57/96/60/568579660.db2.gz PJZHVWFXZKTVIJ-OAQYLSRUSA-N 0 0 369.505 4.857 40 0 FJABRN COc1ccc(OCCCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000222949198 568581348 /nfs/dbraw/zinc/58/13/48/568581348.db2.gz OKLNKMQDXIAJOU-QGZVFWFLSA-N 0 0 367.489 4.610 40 0 FJABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCSCc1ccccc1C ZINC000222952746 568581665 /nfs/dbraw/zinc/58/16/65/568581665.db2.gz JAJXIDDWIJPFAD-FQEVSTJZSA-N 0 0 371.546 4.819 40 0 FJABRN CC(C)c1ccc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000222957147 568581949 /nfs/dbraw/zinc/58/19/49/568581949.db2.gz NTUBZZYOHZABTP-QGZVFWFLSA-N 0 0 351.490 4.945 40 0 FJABRN C[C@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccc2c(c1)CCCC2 ZINC000222967861 568583177 /nfs/dbraw/zinc/58/31/77/568583177.db2.gz LSIOOKBAQNLQPL-GJZGRUSLSA-N 0 0 357.881 4.864 40 0 FJABRN CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000222970116 568583575 /nfs/dbraw/zinc/58/35/75/568583575.db2.gz UCEPQOGBAICWJM-BTYIYWSLSA-N 0 0 355.453 4.739 40 0 FJABRN Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 ZINC000222977259 568584642 /nfs/dbraw/zinc/58/46/42/568584642.db2.gz RMNMGATXFXQJGU-ROUUACIJSA-N 0 0 351.490 4.827 40 0 FJABRN CCOc1ccc(CCCNC(=O)[C@H](CC)Oc2cc(C)cc(C)c2)cc1 ZINC000222998425 568588691 /nfs/dbraw/zinc/58/86/91/568588691.db2.gz CCFSVNVNLDNBIM-QFIPXVFZSA-N 0 0 369.505 4.609 40 0 FJABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCCc1cccc(C)c1 ZINC000223026873 568594023 /nfs/dbraw/zinc/59/40/23/568594023.db2.gz YMJLHWUBSGOWRV-HXUWFJFHSA-N 0 0 359.897 4.863 40 0 FJABRN CC[C@@H](NC(=O)[C@H](C)SCc1ccccc1)c1ccc(OC)c(C)c1 ZINC000223032678 568595258 /nfs/dbraw/zinc/59/52/58/568595258.db2.gz PHPCJPVVZXQKRM-QFBILLFUSA-N 0 0 357.519 4.893 40 0 FJABRN 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CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(Br)cc1 ZINC000011637168 570704150 /nfs/dbraw/zinc/70/41/50/570704150.db2.gz WBVLYFCYRRBXCF-QGZVFWFLSA-N 0 0 362.267 4.862 40 0 FJABRN COc1ccc(Cl)cc1C1=N/C(=C/c2ccc(C(C)C)cc2)C(=O)O1 ZINC000409005247 570711470 /nfs/dbraw/zinc/71/14/70/570711470.db2.gz SYSCEXWFBLPDKJ-LICLKQGHSA-N 0 0 355.821 4.817 40 0 FJABRN CCCCOc1ccccc1/C=C1/N=C(c2ccc(OCC)cc2)OC1=O ZINC000409008830 570712614 /nfs/dbraw/zinc/71/26/14/570712614.db2.gz LJNZJWVDBFYTHO-XDJHFCHBSA-N 0 0 365.429 4.609 40 0 FJABRN COc1cc2c(cc1C)-c1nc(NC(=O)c3cccs3)sc1CC2 ZINC000409053214 570715885 /nfs/dbraw/zinc/71/58/85/570715885.db2.gz NCBVZBGNNLUXAU-UHFFFAOYSA-N 0 0 356.472 4.540 40 0 FJABRN CCOc1cc(C(=O)Nc2cccc(O)c2)ccc1OCc1ccccc1 ZINC000409083428 570720382 /nfs/dbraw/zinc/72/03/82/570720382.db2.gz OIILMRWAKRUVPB-UHFFFAOYSA-N 0 0 363.413 4.622 40 0 FJABRN CCn1c(C)cc2cc(NC(=O)C[C@@H](C)n3nc(C)c(C)c3C)ccc21 ZINC000012148362 570723469 /nfs/dbraw/zinc/72/34/69/570723469.db2.gz BEZQDNWXATUATJ-CQSZACIVSA-N 0 0 352.482 4.681 40 0 FJABRN Nn1c(SCc2ccc3ccccc3c2)nnc1-c1ccc(Cl)cc1 ZINC000409099637 570723974 /nfs/dbraw/zinc/72/39/74/570723974.db2.gz RORIIJONZJQRBU-UHFFFAOYSA-N 0 0 366.877 4.758 40 0 FJABRN CCOc1ccc(Cl)cc1/C=C1\SC(=O)N(c2ccccc2)C1=O ZINC000409109160 570724810 /nfs/dbraw/zinc/72/48/10/570724810.db2.gz YSXOTCYZSYPJIQ-WJDWOHSUSA-N 0 0 359.834 4.980 40 0 FJABRN CCc1ccc(-n2c(C)nnc2SCCOc2ccc(C)cc2)cc1 ZINC000409102386 570724892 /nfs/dbraw/zinc/72/48/92/570724892.db2.gz SKBWFLQQNBKINU-UHFFFAOYSA-N 0 0 353.491 4.618 40 0 FJABRN O=C1NC(=Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1cccc(Cl)c1 ZINC000409107093 570727070 /nfs/dbraw/zinc/72/70/70/570727070.db2.gz USSNEQZRVGZQFY-VGOFMYFVSA-N 0 0 367.619 4.744 40 0 FJABRN COc1ccccc1-c1cc(C(=O)N[C@@H](c2cccs2)C(C)C)no1 ZINC000012200503 570727204 /nfs/dbraw/zinc/72/72/04/570727204.db2.gz JZVOCESQNKGYNZ-GOSISDBHSA-N 0 0 356.447 4.539 40 0 FJABRN Cc1ccc(C)c(NCc2ccccc2OS(=O)(=O)c2ccccc2)c1 ZINC000409119946 570728099 /nfs/dbraw/zinc/72/80/99/570728099.db2.gz REWAQWQQXDTOJE-UHFFFAOYSA-N 0 0 367.470 4.683 40 0 FJABRN CCCN1C(=O)/C(=C\c2cc(Br)ccc2OC)c2ccccc21 ZINC000409122174 570728587 /nfs/dbraw/zinc/72/85/87/570728587.db2.gz ZYMRBAUZYXWKHT-VBKFSLOCSA-N 0 0 372.262 4.755 40 0 FJABRN O=C1S/C(=C/c2ccc(O)c(Cl)c2)C(=O)N1CC1CCCCC1 ZINC000409124397 570729858 /nfs/dbraw/zinc/72/98/58/570729858.db2.gz HFGGTKUBDFHYRG-OQLLNIDSSA-N 0 0 351.855 4.662 40 0 FJABRN COc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1Cl ZINC000409136281 570731048 /nfs/dbraw/zinc/73/10/48/570731048.db2.gz SZKZVZJCQFBGPC-MHWRWJLKSA-N 0 0 365.882 4.965 40 0 FJABRN O=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1Cl ZINC000409147463 570731962 /nfs/dbraw/zinc/73/19/62/570731962.db2.gz YBPFKUBYJYKMQZ-HNNXBMFYSA-N 0 0 366.269 4.800 40 0 FJABRN O=C1NC(=Cc2ccc(-c3ccccc3)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000409168871 570735064 /nfs/dbraw/zinc/73/50/64/570735064.db2.gz URUWMTKCDNVVQF-SFQUDFHCSA-N 0 0 364.788 4.697 40 0 FJABRN COC(=O)c1ccc2nc(NC(=S)Nc3ccc(C)c(C)c3)sc2c1 ZINC000409188534 570736990 /nfs/dbraw/zinc/73/69/90/570736990.db2.gz CTUZFQFHLTZOLF-UHFFFAOYSA-N 0 0 371.487 4.509 40 0 FJABRN Cc1s/c(=N\C(=O)c2ccc(C)c(Cl)c2)n(C)c1-c1ccc(F)cc1 ZINC000409202395 570740148 /nfs/dbraw/zinc/74/01/48/570740148.db2.gz RVTXKYNNTBAYFI-QOCHGBHMSA-N 0 0 374.868 4.904 40 0 FJABRN S=C(c1ccc(OCc2ccccc2)cc1)N1CCc2ccccc2C1 ZINC000409204506 570740220 /nfs/dbraw/zinc/74/02/20/570740220.db2.gz HLSYTXJQGQKBOJ-UHFFFAOYSA-N 0 0 359.494 4.999 40 0 FJABRN O=C(COc1cccc(CNc2ccc(Cl)cc2)c1)Nc1ccccc1 ZINC000409258362 570746780 /nfs/dbraw/zinc/74/67/80/570746780.db2.gz WOYASTILMRAPNG-UHFFFAOYSA-N 0 0 366.848 4.970 40 0 FJABRN Cc1ccc(C)c(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)c1 ZINC000409383849 570754508 /nfs/dbraw/zinc/75/45/08/570754508.db2.gz KYLFIPVMQUOPAS-UHFFFAOYSA-N 0 0 358.290 4.576 40 0 FJABRN Cc1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1C ZINC000409383163 570754475 /nfs/dbraw/zinc/75/44/75/570754475.db2.gz ZTUUGKUTLCHKHB-UHFFFAOYSA-N 0 0 358.290 4.576 40 0 FJABRN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)o2)c(C)c1 ZINC000000850110 570762419 /nfs/dbraw/zinc/76/24/19/570762419.db2.gz KWSWCCIDDYYOFA-UHFFFAOYSA-N 0 0 373.865 4.738 40 0 FJABRN O=C1OC(c2ccccc2Cl)=N/C1=C/c1ccc(Cl)cc1Cl ZINC000001507751 570764890 /nfs/dbraw/zinc/76/48/90/570764890.db2.gz YTKJIEOKWXJWLM-VGOFMYFVSA-N 0 0 352.604 4.991 40 0 FJABRN CC(C)(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 ZINC000103717950 570771438 /nfs/dbraw/zinc/77/14/38/570771438.db2.gz UADDPZKRWXDYAE-CQSZACIVSA-N 0 0 370.880 4.629 40 0 FJABRN Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2ccc(C(C)C)cc2)CC1=O ZINC000103718843 570771840 /nfs/dbraw/zinc/77/18/40/570771840.db2.gz BQSNOZVKQQKXBK-INIZCTEOSA-N 0 0 370.880 4.763 40 0 FJABRN CCOC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000006047557 570778439 /nfs/dbraw/zinc/77/84/39/570778439.db2.gz MXVNHOOTXLJBFX-CSKARUKUSA-N 0 0 364.228 4.822 40 0 FJABRN COc1cc(OC)cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1 ZINC000006126753 570779186 /nfs/dbraw/zinc/77/91/86/570779186.db2.gz AOPQDXIDDIVJLC-UHFFFAOYSA-N 0 0 361.441 4.546 40 0 FJABRN CC(C)Oc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCC2)cc1 ZINC000006200623 570779629 /nfs/dbraw/zinc/77/96/29/570779629.db2.gz DLWGOXWMQPTVIL-UHFFFAOYSA-N 0 0 358.869 4.980 40 0 FJABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1OC(F)F ZINC000006329664 570781714 /nfs/dbraw/zinc/78/17/14/570781714.db2.gz YAJLVJSUTARETG-UHFFFAOYSA-N 0 0 355.768 4.738 40 0 FJABRN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1OCc1ccccc1 ZINC000013687342 570784453 /nfs/dbraw/zinc/78/44/53/570784453.db2.gz PXQAGCHSGRCYSI-UHFFFAOYSA-N 0 0 361.485 4.964 40 0 FJABRN O=C1S/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1ccccc1 ZINC000106680829 570784728 /nfs/dbraw/zinc/78/47/28/570784728.db2.gz HBGDFHQMBLZLON-GDNBJRDFSA-N 0 0 363.360 4.942 40 0 FJABRN Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1C ZINC000106701542 570784734 /nfs/dbraw/zinc/78/47/34/570784734.db2.gz NSNFVQHWPJIXAL-SXGWCWSVSA-N 0 0 360.866 4.532 40 0 FJABRN S=c1[nH]nc(-c2ccccc2)n1NCc1c(Cl)cccc1Cl ZINC000007601472 570791339 /nfs/dbraw/zinc/79/13/39/570791339.db2.gz FFQYFPAUIYWKFJ-UHFFFAOYSA-N 0 0 351.262 4.658 40 0 FJABRN Cc1cc(C)cc(OCC(=O)Nc2ccc(C(F)(F)F)cc2Cl)c1 ZINC000007791621 570792434 /nfs/dbraw/zinc/79/24/34/570792434.db2.gz WHRONZUYSVCODU-UHFFFAOYSA-N 0 0 357.759 4.993 40 0 FJABRN CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000008049371 570793255 /nfs/dbraw/zinc/79/32/55/570793255.db2.gz QPJJTQTVJZBUBW-AWEZNQCLSA-N 0 0 353.340 4.510 40 0 FJABRN CC[C@H](C)c1ccc(NC(=S)NC(=O)c2cccc(C)c2OC)cc1 ZINC000009064046 570797519 /nfs/dbraw/zinc/79/75/19/570797519.db2.gz CLTCTLFCQLSPJQ-ZDUSSCGKSA-N 0 0 356.491 4.644 40 0 FJABRN CCCC[C@@H](CC)COc1ccc([Si](C)(C)c2ccccc2CO)cc1 ZINC000169975406 570802511 /nfs/dbraw/zinc/80/25/11/570802511.db2.gz PBFULORTDOURMF-LJQANCHMSA-N 0 0 370.609 4.597 40 0 FJABRN CCOC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)c1C ZINC000010442245 570803903 /nfs/dbraw/zinc/80/39/03/570803903.db2.gz HGSCCIGGQFEKND-HNNXBMFYSA-N 0 0 357.475 4.599 40 0 FJABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1nnc(-c2ccc(Cl)cc2)o1 ZINC000014686437 570822169 /nfs/dbraw/zinc/82/21/69/570822169.db2.gz YHBJXJYPIVMIBL-XCVCLJGOSA-N 0 0 360.200 4.695 40 0 FJABRN O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1cccc(Cl)c1 ZINC000014004927 570843273 /nfs/dbraw/zinc/84/32/73/570843273.db2.gz YHJYJSKUMUITSQ-UHFFFAOYSA-N 0 0 356.853 4.609 40 0 FJABRN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 ZINC000014036320 570843938 /nfs/dbraw/zinc/84/39/38/570843938.db2.gz YQECVVZUXUJLRL-GOSISDBHSA-N 0 0 361.441 4.980 40 0 FJABRN O=C(COc1ccccc1)c1cn(CCOc2ccccc2)c2ccccc12 ZINC000014135912 570844246 /nfs/dbraw/zinc/84/42/46/570844246.db2.gz JWTPGYIDBFJBIU-UHFFFAOYSA-N 0 0 371.436 4.982 40 0 FJABRN O=C1C[C@@H](/C=C/c2ccccc2)Cc2c1cnn2-c1nc2ccccc2s1 ZINC000014164302 570844839 /nfs/dbraw/zinc/84/48/39/570844839.db2.gz YVXDUEXYCVOAIE-OFAQMXQXSA-N 0 0 371.465 4.941 40 0 FJABRN Cc1cc(O[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc(C)c1Cl ZINC000014396985 570848244 /nfs/dbraw/zinc/84/82/44/570848244.db2.gz ZUXNCPBDATWCBQ-DLBZAZTESA-N 0 0 359.897 4.862 40 0 FJABRN CCOc1ccc(Br)cc1C(=O)Nc1cccc(Cl)c1 ZINC000014654365 570856031 /nfs/dbraw/zinc/85/60/31/570856031.db2.gz MOHDMQXEDWYHMZ-UHFFFAOYSA-N 0 0 354.631 4.754 40 0 FJABRN CCOc1cc(C=O)ccc1OC(=O)c1sc2ccccc2c1Cl ZINC000014777380 570858113 /nfs/dbraw/zinc/85/81/13/570858113.db2.gz RBKWWJSLYRNELG-UHFFFAOYSA-N 0 0 360.818 4.985 40 0 FJABRN Cc1ccc(CSCCNC(=O)CSCc2ccc(C)cc2)cc1 ZINC000020237720 570861657 /nfs/dbraw/zinc/86/16/57/570861657.db2.gz HOABAOTYDQKJIM-UHFFFAOYSA-N 0 0 359.560 4.586 40 0 FJABRN C[C@H](Sc1ccccc1)C(=O)NCCSCc1cccc(Cl)c1 ZINC000020238446 570862088 /nfs/dbraw/zinc/86/20/88/570862088.db2.gz MWCUQBKNCSSKTH-AWEZNQCLSA-N 0 0 365.951 4.870 40 0 FJABRN O=C(NCCSc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000020240032 570862462 /nfs/dbraw/zinc/86/24/62/570862462.db2.gz REWNOOCBJUHMKP-UHFFFAOYSA-N 0 0 370.699 4.625 40 0 FJABRN O=C(Nc1cc(Cl)cc(Cl)c1)C1(c2ccccc2)CCOCC1 ZINC000016985256 570864522 /nfs/dbraw/zinc/86/45/22/570864522.db2.gz RORXCRFIRVFQGB-UHFFFAOYSA-N 0 0 350.245 4.680 40 0 FJABRN CC(=O)Nc1ccc(NC(=O)CSc2cccc3ccccc32)cc1 ZINC000032692145 570864583 /nfs/dbraw/zinc/86/45/83/570864583.db2.gz UAKMABAHYNIBAA-UHFFFAOYSA-N 0 0 350.443 4.529 40 0 FJABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000017073138 570868784 /nfs/dbraw/zinc/86/87/84/570868784.db2.gz RXJFVSCPOOPBEZ-UHFFFAOYSA-N 0 0 353.274 4.737 40 0 FJABRN CC(=O)O[C@@H]1CC[C@H]2[C@@H]3C[C@@H](OC(C)=O)[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@]12C ZINC000119377798 570871946 /nfs/dbraw/zinc/87/19/46/570871946.db2.gz IAAONRVTBJWTGZ-CZSMESJOSA-N 0 0 374.521 4.502 40 0 FJABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2nnc(-c3ccccc3)s2)c1 ZINC000018702552 570878833 /nfs/dbraw/zinc/87/88/33/570878833.db2.gz LDPWUQLHEBGMRL-UHFFFAOYSA-N 0 0 367.474 4.654 40 0 FJABRN COc1cc(CN[C@H](Cc2cccs2)c2nc(C)cs2)cc(OC)c1 ZINC000019240067 570884076 /nfs/dbraw/zinc/88/40/76/570884076.db2.gz FKJXBSIMFANUIM-GOSISDBHSA-N 0 0 374.531 4.604 40 0 FJABRN Clc1ccc(CNc2ncc(-c3ccncc3)c([C@H]3CCCO3)n2)cc1 ZINC000019334752 570886295 /nfs/dbraw/zinc/88/62/95/570886295.db2.gz CTICUJXFKQSCGX-GOSISDBHSA-N 0 0 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ZINC000010276655 207298449 /nfs/dbraw/zinc/29/84/49/207298449.db2.gz VTLVOLPFCLKJKU-CVEARBPZSA-N 0 0 355.478 4.637 40 0 FJABRN CCOc1ccc([C@@H](C)NC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000011169036 207311573 /nfs/dbraw/zinc/31/15/73/207311573.db2.gz UWSKPOHPHIGDBK-GFCCVEGCSA-N 0 0 368.260 4.648 40 0 FJABRN Cc1nc2ccc(C(=O)N[C@H](c3ccccc3)c3cccnc3)cc2s1 ZINC000012148292 207343854 /nfs/dbraw/zinc/34/38/54/207343854.db2.gz UMTPNLJWNLODEH-HXUWFJFHSA-N 0 0 359.454 4.519 40 0 FJABRN CCCCOc1ccc(N[C@H]2SC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000012112965 207337932 /nfs/dbraw/zinc/33/79/32/207337932.db2.gz RTNJAAUMTSJXQQ-KRWDZBQOSA-N 0 0 374.437 4.643 40 0 FJABRN Cc1cc(C(=O)N2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)no2)on1 ZINC000012119694 207339631 /nfs/dbraw/zinc/33/96/31/207339631.db2.gz MSJVHBRYMASSCB-KRWDZBQOSA-N 0 0 369.396 4.535 40 0 FJABRN CC(=O)C1(c2ccccc2)CCN(C(=O)c2cccc3c(C)c(C)[nH]c32)CC1 ZINC000012205682 207347742 /nfs/dbraw/zinc/34/77/42/207347742.db2.gz ODPHMEIDWGQXTD-UHFFFAOYSA-N 0 0 374.484 4.548 40 0 FJABRN CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)C(C)(C)c1ccc(F)cc1 ZINC000019718398 207706414 /nfs/dbraw/zinc/70/64/14/207706414.db2.gz BBCUYBLMECWXMC-HNNXBMFYSA-N 0 0 367.468 4.911 40 0 FJABRN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Br)c(C)c1 ZINC000020492733 207740193 /nfs/dbraw/zinc/74/01/93/207740193.db2.gz CAXWXXBVKAXHJS-KRWDZBQOSA-N 0 0 362.267 4.862 40 0 FJABRN CC(C)c1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccco4)cc3n2)cc1 ZINC000020610605 207748353 /nfs/dbraw/zinc/74/83/53/207748353.db2.gz IYKSIVDQKLSFSN-ZRDIBKRKSA-N 0 0 372.428 4.789 40 0 FJABRN CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccccc4)cc3n2)cc1 ZINC000020610452 207749897 /nfs/dbraw/zinc/74/98/97/207749897.db2.gz SQXIVFIZTPLLHK-UHFFFAOYSA-N 0 0 356.429 4.796 40 0 FJABRN CCc1ccccc1O[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000022532041 207812600 /nfs/dbraw/zinc/81/26/00/207812600.db2.gz PTXVSQMRKHUFJC-SFHVURJKSA-N 0 0 359.469 4.922 40 0 FJABRN Cc1ccc(C)c(Nc2nc(Nc3ccc(F)cc3)nc3c2cnn3C)c1 ZINC000027666421 207937056 /nfs/dbraw/zinc/93/70/56/207937056.db2.gz 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Cc1nn(C[C@H](C)c2cc(NCc3ccc(C)cc3)nc(C)n2)c(C)c1C ZINC000019717890 220290684 /nfs/dbraw/zinc/29/06/84/220290684.db2.gz FUBJWKCOZWOLCL-HNNXBMFYSA-N 0 0 363.509 4.631 40 0 FJABRN COc1cc2ccccc2cc1C(=O)Nc1ccc(-c2ccc(CO)o2)cc1 ZINC000020139202 220313962 /nfs/dbraw/zinc/31/39/62/220313962.db2.gz GQOOJDRQJBCCJV-UHFFFAOYSA-N 0 0 373.408 4.853 40 0 FJABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(Br)cc1 ZINC000020037371 220310342 /nfs/dbraw/zinc/31/03/42/220310342.db2.gz LTTYEYSBLWMLGL-KRWDZBQOSA-N 0 0 362.267 4.862 40 0 FJABRN CC(C)c1ccc2c(N)c(C(=O)Nc3nc4ccccc4s3)sc2n1 ZINC000020034665 220310434 /nfs/dbraw/zinc/31/04/34/220310434.db2.gz OAUSVXZBZQHNHR-UHFFFAOYSA-N 0 0 368.487 4.864 40 0 FJABRN CCc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1 ZINC000020137595 220314372 /nfs/dbraw/zinc/31/43/72/220314372.db2.gz HDNMJEPIFDFLLP-UHFFFAOYSA-N 0 0 355.821 4.907 40 0 FJABRN CC(C)COc1ccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1 ZINC000020142024 220316421 /nfs/dbraw/zinc/31/64/21/220316421.db2.gz 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/nfs/dbraw/zinc/37/98/66/220379866.db2.gz DBKLFFAMPJBTCT-UHFFFAOYSA-N 0 0 362.473 4.707 40 0 FJABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1cc(F)ccc1C ZINC000022245632 220380577 /nfs/dbraw/zinc/38/05/77/220380577.db2.gz YEEZDFSCJGEXOX-UHFFFAOYSA-N 0 0 355.438 4.919 40 0 FJABRN Cc1cccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)n1 ZINC000022258183 220380867 /nfs/dbraw/zinc/38/08/67/220380867.db2.gz KBUIYTKDGSCACV-UHFFFAOYSA-N 0 0 352.821 4.875 40 0 FJABRN CCOc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1C ZINC000022250655 220381753 /nfs/dbraw/zinc/38/17/53/220381753.db2.gz HBEJYHMEVIVOJS-UHFFFAOYSA-N 0 0 352.203 4.548 40 0 FJABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSc1ccc(C)cc1 ZINC000022509367 220388742 /nfs/dbraw/zinc/38/87/42/220388742.db2.gz NKDNBDUPTAGTKD-GOSISDBHSA-N 0 0 363.910 4.714 40 0 FJABRN CCOc1ccccc1CNC(=O)CC(c1ccccc1)c1ccccc1 ZINC000022517044 220388757 /nfs/dbraw/zinc/38/87/57/220388757.db2.gz SCFMYZWGJJOOFJ-UHFFFAOYSA-N 0 0 359.469 4.924 40 0 FJABRN C[C@@H](NC(=O)c1ccc(CN2CCc3ccccc32)cc1)c1ccc(F)cc1 ZINC000022527819 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Cc1ccc(N2CCC(C(=O)Nc3cccc(OC(C)C)c3)CC2)cc1 ZINC000219858337 132275106 /nfs/dbraw/zinc/27/51/06/132275106.db2.gz LFLWDWKHRVMZHA-UHFFFAOYSA-N 0 0 352.478 4.637 40 0 FJABRN O=C(NCC1CCCCC1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000224330502 132283085 /nfs/dbraw/zinc/28/30/85/132283085.db2.gz AEMJMUYIFJKFCA-UHFFFAOYSA-N 0 0 362.517 4.950 40 0 FJABRN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000224965925 132283795 /nfs/dbraw/zinc/28/37/95/132283795.db2.gz GPVRSPHAKOSOLY-OAHLLOKOSA-N 0 0 358.869 4.736 40 0 FJABRN CC(C)c1cc(N2Cc3ccccc3C[C@H]2C)nc(NCc2ccccc2)n1 ZINC000328978356 132371993 /nfs/dbraw/zinc/37/19/93/132371993.db2.gz FXWPFXQYXWYCFU-GOSISDBHSA-N 0 0 372.516 4.585 40 0 FJABRN Cc1cccc(-c2cc3nc4c(c(N5C[C@H](C)C[C@H](C)C5)n3n2)CCC4)c1 ZINC000017821255 132885361 /nfs/dbraw/zinc/88/53/61/132885361.db2.gz QNXSKFGTXRPOHF-CALCHBBNSA-N 0 0 360.505 4.676 40 0 FJABRN Cc1ccc(C)c(N2CN(Cc3ccccc3)CN=C2c2ccccc2)c1 ZINC000019974133 132893526 /nfs/dbraw/zinc/89/35/26/132893526.db2.gz 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363.417 4.739 40 0 FJABRN Cc1cccc(NC(=S)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000001336844 209387933 /nfs/dbraw/zinc/38/79/33/209387933.db2.gz YGCWHQKCJISDIS-UHFFFAOYSA-N 0 0 372.921 4.940 40 0 FJABRN O=C(C1CC1)N1CCc2cc(-c3csc(Nc4ccccc4)n3)ccc21 ZINC000001337743 209387570 /nfs/dbraw/zinc/38/75/70/209387570.db2.gz WHUMCSLFDARFEY-UHFFFAOYSA-N 0 0 361.470 4.853 40 0 FJABRN Cc1ccccc1NC(=S)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000001336923 209387577 /nfs/dbraw/zinc/38/75/77/209387577.db2.gz SYYIRNKDUIVHNP-UHFFFAOYSA-N 0 0 372.921 4.940 40 0 FJABRN Cc1ccc(C)c2nc(SCC(=O)NCCc3ccccc3)c(C)cc12 ZINC000000932968 209383691 /nfs/dbraw/zinc/38/36/91/209383691.db2.gz UWYDMAQBHATUFS-UHFFFAOYSA-N 0 0 364.514 4.611 40 0 FJABRN CCOc1ccc2nc3sc(C(=O)Nc4ccccc4)c(N)c3cc2c1 ZINC000000907398 209381820 /nfs/dbraw/zinc/38/18/20/209381820.db2.gz SEWCEMQHMZTTEW-UHFFFAOYSA-N 0 0 363.442 4.683 40 0 FJABRN CCOc1ccc2cc3c(N)c(C(=O)c4ccc(F)cc4)sc3nc2c1 ZINC000000891645 209379555 /nfs/dbraw/zinc/37/95/55/209379555.db2.gz 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CCC1=C(c2ccccc2)Sc2c(-c3ccc(OC)cc3)nnn2N=C1 ZINC000016636713 220189075 /nfs/dbraw/zinc/18/90/75/220189075.db2.gz HXTSUZYRNLBVQC-UHFFFAOYSA-N 0 0 362.458 4.715 40 0 FJABRN CCOc1ccc(C(=O)N(CC)C2C3CC4CC(C3)CC2C4)cc1OCC ZINC000016778713 220193917 /nfs/dbraw/zinc/19/39/17/220193917.db2.gz YBOKNHASJSZVRO-UHFFFAOYSA-N 0 0 371.521 4.771 40 0 FJABRN Cc1ccc(CSCCNC(=S)Nc2ccccc2Cl)cc1 ZINC000018145676 220224601 /nfs/dbraw/zinc/22/46/01/220224601.db2.gz SNHVEIBADZIYHT-UHFFFAOYSA-N 0 0 350.940 4.868 40 0 FJABRN FC(F)(F)c1ccc(NC(=S)NCCSc2ccccc2)cc1 ZINC000018138360 220225223 /nfs/dbraw/zinc/22/52/23/220225223.db2.gz TXNBIKZVBWAAIE-UHFFFAOYSA-N 0 0 356.438 4.784 40 0 FJABRN COc1ccc2[nH]c3c(c2c1)CCN(Cc1ccc(C)o1)[C@H]3c1cccnc1 ZINC000019216635 220241565 /nfs/dbraw/zinc/24/15/65/220241565.db2.gz OIXSQMCFGBJGGT-QHCPKHFHSA-N 0 0 373.456 4.621 40 0 FJABRN COc1ccc(OC)c(CN[C@@H](Cc2ccsc2)c2nc(C)cs2)c1 ZINC000019240213 220243509 /nfs/dbraw/zinc/24/35/09/220243509.db2.gz ZNWNCICNVRBRSI-KRWDZBQOSA-N 0 0 374.531 4.604 40 0 FJABRN Cc1cccc(-c2cc3ncc4c(n3n2)C[C@H]2CC[C@@H]4N2Cc2ccoc2)c1 ZINC000019235330 220241229 /nfs/dbraw/zinc/24/12/29/220241229.db2.gz DAIVFVWRPKSNGP-NQIIRXRSSA-N 0 0 370.456 4.560 40 0 FJABRN Cc1ccc([C@@H](C)NC(=O)c2cccc(COCC(F)(F)F)c2)c(C)c1 ZINC000002794212 206686570 /nfs/dbraw/zinc/68/65/70/206686570.db2.gz DEAQMKJGOGQDGB-OAHLLOKOSA-N 0 0 365.395 4.873 40 0 FJABRN CC[C@H](NC(=O)c1oc2cc(C)ccc2c1C)c1c(C)nn(CC)c1C ZINC000019500418 220264460 /nfs/dbraw/zinc/26/44/60/220264460.db2.gz RZVYVFXRNRRQFB-KRWDZBQOSA-N 0 0 353.466 4.764 40 0 FJABRN CC(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2ccncc2)n1 ZINC000329066076 206730326 /nfs/dbraw/zinc/73/03/26/206730326.db2.gz XWUOBZTXTYIYHP-UHFFFAOYSA-N 0 0 373.382 4.543 40 0 FJABRN Cc1cc(F)ccc1Nc1cc(-c2cccnc2)nc(NC2CCCC2)n1 ZINC000329071883 206730943 /nfs/dbraw/zinc/73/09/43/206730943.db2.gz ZTFKMHILRUOFAC-UHFFFAOYSA-N 0 0 363.440 4.506 40 0 FJABRN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)c1ccccc1NC(=O)c1ccco1)C2 ZINC000000784695 206830602 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/nfs/dbraw/zinc/30/60/94/571306094.db2.gz XIWRQFOMLMIXKA-UHFFFAOYSA-N 0 0 361.426 4.854 40 0 FJABRN Cc1nc(C=O)cn1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000034446735 571306185 /nfs/dbraw/zinc/30/61/85/571306185.db2.gz ROIOCDBVMNZCJG-UHFFFAOYSA-N 0 0 352.437 4.844 40 0 FJABRN CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1C ZINC000035170647 571306196 /nfs/dbraw/zinc/30/61/96/571306196.db2.gz CPADFMXOIOPJJL-UHFFFAOYSA-N 0 0 360.262 4.501 40 0 FJABRN CCCCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1OCC ZINC000046081997 571306437 /nfs/dbraw/zinc/30/64/37/571306437.db2.gz BNITTZRJTHPAAR-UHFFFAOYSA-N 0 0 373.449 4.534 40 0 FJABRN CCOCCCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000058134182 571306572 /nfs/dbraw/zinc/30/65/72/571306572.db2.gz RUBFURJWISTPKR-UHFFFAOYSA-N 0 0 363.910 4.789 40 0 FJABRN C[Si]1(C)N(c2ccccc2)[Si](C)(c2ccccc2)N1c1ccccc1 ZINC000195752825 571307377 /nfs/dbraw/zinc/30/73/77/571307377.db2.gz XGPFQEGNLPDNJJ-UHFFFAOYSA-N 0 0 360.609 4.694 40 0 FJABRN CCCCOc1ccc(S(=O)(=O)NC(C)(C)CC(C)(C)C)cc1C ZINC000231431348 571307910 /nfs/dbraw/zinc/30/79/10/571307910.db2.gz WAGPVQRHCNGAJU-UHFFFAOYSA-N 0 0 355.544 4.667 40 0 FJABRN C/C1=C\C[C@@H](OC(=O)c2ccc(O)cc2)/C(C)=C/[C@@H](O)C(C)(C)CCC1 ZINC000012362720 571322381 /nfs/dbraw/zinc/32/23/81/571322381.db2.gz JDZBITULCWBIMC-QRVRFADCSA-N 0 0 358.478 4.771 40 0 FJABRN Cc1ccc2oc(=O)c(-c3ccc(O)cc3)c(-c3cc(O)cc(O)c3)c2c1 ZINC000002573903 571339068 /nfs/dbraw/zinc/33/90/68/571339068.db2.gz BRGYJCAJPZGTFS-UHFFFAOYSA-N 0 0 360.365 4.552 40 0 FJABRN O=C(COc1ccc(Cl)cc1Cl)N[C@H]1CCCc2ccccc21 ZINC000003382424 571348802 /nfs/dbraw/zinc/34/88/02/571348802.db2.gz FCWXDDXWCLKWDG-INIZCTEOSA-N 0 0 350.245 4.566 40 0 FJABRN