smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1 ZINC000000598626 210250314 /nfs/dbraw/zinc/25/03/14/210250314.db2.gz ZPXPEKQMLOAPLT-UHFFFAOYSA-N 0 1 361.445 5.667 10 0 in-vitro FKAEMN O=c1c2ccc(Cl)cc2[nH]c(O)c1-c1cccc(Oc2ccsc2)c1 ZINC000000837962 219328909 /nfs/dbraw/zinc/32/89/09/219328909.db2.gz ASDUOZQLLPOESZ-UHFFFAOYSA-N 0 1 369.829 5.408 10 0 FKAEMN O=c1c2ccc(Cl)cc2[nH]c([O-])c1-c1cccc(Oc2ccsc2)c1 ZINC000000837962 219328907 /nfs/dbraw/zinc/32/89/07/219328907.db2.gz ASDUOZQLLPOESZ-UHFFFAOYSA-N 0 1 369.829 5.408 10 0 FKAEMN Clc1ccc2nc(CCc3ccccc3)c(NCc3ccccc3)n2c1 ZINC000004382391 570766611 /nfs/dbraw/zinc/76/66/11/570766611.db2.gz JUVNAQMTBKPHHT-UHFFFAOYSA-N 0 1 361.876 5.385 10 0 FKAEMN COc1ccc(CNc2ncc(-c3ccc(F)cc3)n2C)c2ccccc12 ZINC000004678440 207037303 /nfs/dbraw/zinc/03/73/03/207037303.db2.gz SFFVPSXFJCQJCA-UHFFFAOYSA-N 0 1 361.420 5.000 10 0 FKAEMN CC(C)c1cc(C(C)C)c(S(=O)(=O)Nc2cccnc2)c(C(C)C)c1 ZINC000005259935 207090959 /nfs/dbraw/zinc/09/09/59/207090959.db2.gz YTFFEXQYTJQVTE-UHFFFAOYSA-N 0 1 360.523 5.253 10 0 FKAEMN COc1ccc(-c2[nH]c(-c3cccc(Cl)c3)nc2-c2ccccc2)cc1 ZINC000005285650 207091834 /nfs/dbraw/zinc/09/18/34/207091834.db2.gz DIPQPULPQGGXFW-UHFFFAOYSA-N 0 1 360.844 6.073 10 0 FKAEMN Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc12 ZINC000005487960 210229013 /nfs/dbraw/zinc/22/90/13/210229013.db2.gz UJBNOYIQUYOQRJ-UHFFFAOYSA-N 0 1 354.711 5.146 10 0 FKAEMN CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C)CC1 ZINC000005550861 207105315 /nfs/dbraw/zinc/10/53/15/207105315.db2.gz HOQSLFZFFMMYMC-SJORKVTESA-N 0 1 371.565 5.972 10 0 FKAEMN CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@@H+](C)CC1 ZINC000005550861 207105311 /nfs/dbraw/zinc/10/53/11/207105311.db2.gz HOQSLFZFFMMYMC-SJORKVTESA-N 0 1 371.565 5.972 10 0 FKAEMN CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C)CC1 ZINC000005551224 204214541 /nfs/dbraw/zinc/21/45/41/204214541.db2.gz HOQSLFZFFMMYMC-DLBZAZTESA-N 0 1 371.565 5.972 10 0 FKAEMN CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C)CC1 ZINC000005551251 204214341 /nfs/dbraw/zinc/21/43/41/204214341.db2.gz HOQSLFZFFMMYMC-IRXDYDNUSA-N 0 1 371.565 5.972 10 0 FKAEMN Cc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccccc2)cc1C ZINC000005634889 207109957 /nfs/dbraw/zinc/10/99/57/207109957.db2.gz UJFFPSVTOJVSAW-UHFFFAOYSA-N 0 1 358.872 6.681 10 0 FKAEMN Cc1cc(CN[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)oc1C ZINC000011816306 210896538 /nfs/dbraw/zinc/89/65/38/210896538.db2.gz QJWHIWQXZQFEKL-HXUWFJFHSA-N 0 1 367.468 5.025 10 0 FKAEMN N=C(Nc1ccccc1-c1ccccc1)Nc1ccccc1-c1ccccc1 ZINC000013733748 220091028 /nfs/dbraw/zinc/09/10/28/220091028.db2.gz JCHWQMYJHCKEHX-UHFFFAOYSA-N 0 1 363.464 6.479 10 0 FKAEMN Cc1ccc(CN(Cc2cn(C)c3ccc(F)cc23)Cc2ccncc2)cc1 ZINC000013989365 220100354 /nfs/dbraw/zinc/10/03/54/220100354.db2.gz LAPGQIMHJHRUOP-UHFFFAOYSA-N 0 1 373.475 5.223 10 0 FKAEMN Cc1cccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1C ZINC000014255328 571271968 /nfs/dbraw/zinc/27/19/68/571271968.db2.gz BGOGEXNOQWPENG-UHFFFAOYSA-N 0 1 364.681 5.064 10 0 FKAEMN Cc1cc(C)cc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1 ZINC000014255452 220120824 /nfs/dbraw/zinc/12/08/24/220120824.db2.gz DXERVECISWSEOG-UHFFFAOYSA-N 0 1 364.681 5.064 10 0 FKAEMN CC(C)=CCC/C(C)=C/COc1cc(O)c(C(=O)c2ccccc2)c(O)c1 ZINC000014775917 210233669 /nfs/dbraw/zinc/23/36/69/210233669.db2.gz CPWFSCYLMXLCDK-SFQUDFHCSA-N 0 1 366.457 5.400 10 0 FKAEMN O[C@@H]1CCCc2nc3cc(Cl)ccc3c(NCc3ccc(F)cc3)c21 ZINC000014946523 211106065 /nfs/dbraw/zinc/10/60/65/211106065.db2.gz WUNJSFUQRGEAEJ-GOSISDBHSA-N 0 1 356.828 5.009 10 0 FKAEMN COc1ccc(-c2[nH]nc(C(F)(F)F)c2-c2cc3ccccc3o2)c(O)c1 ZINC000018209073 220227758 /nfs/dbraw/zinc/22/77/58/220227758.db2.gz LWKCIPORVGAZTO-UHFFFAOYSA-N 0 1 374.318 5.223 10 0 FKAEMN C[C@H](NCc1cc(Br)cs1)c1ccc(Cl)cc1Cl ZINC000020306302 211273727 /nfs/dbraw/zinc/27/37/27/211273727.db2.gz HDNMKIMDGAQQQJ-QMMMGPOBSA-N 0 1 365.123 5.668 10 0 FKAEMN C[C@@H](NCc1ccc(Br)s1)c1ccc(Cl)cc1Cl ZINC000020551952 220333619 /nfs/dbraw/zinc/33/36/19/220333619.db2.gz KESACZGXFGADJE-MRVPVSSYSA-N 0 1 365.123 5.668 10 0 FKAEMN O=C(C=Cc1ccccc1)Nc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000021142125 220352715 /nfs/dbraw/zinc/35/27/15/220352715.db2.gz VGSMJIMOMLOAAO-AWNIVKPZSA-N 0 1 373.843 5.535 10 0 FKAEMN C[C@H](NCc1ccc(Br)s1)c1ccc(Cl)c(Cl)c1 ZINC000021512644 220358588 /nfs/dbraw/zinc/35/85/88/220358588.db2.gz MMVDPLIFTBLVEI-QMMMGPOBSA-N 0 1 365.123 5.668 10 0 FKAEMN Cc1oc(-c2cccs2)nc1CN1CCC2(C=Cc3ccccc32)CC1 ZINC000023478930 211388692 /nfs/dbraw/zinc/38/86/92/211388692.db2.gz LGJNYIAQWDFOIQ-UHFFFAOYSA-N 0 1 362.498 5.272 10 0 FKAEMN CCCCOc1ccccc1-c1n[nH]c(SCc2ccc(F)cc2)n1 ZINC000026505504 220516189 /nfs/dbraw/zinc/51/61/89/220516189.db2.gz PJMJEFFTFDLGAI-UHFFFAOYSA-N 0 1 357.454 5.082 10 0 FKAEMN Clc1ccc([C@@H]2NCc3c4c(sc3-n3cccc32)CCCC4)cc1 ZINC000032917085 571060265 /nfs/dbraw/zinc/06/02/65/571060265.db2.gz KFGZSNALAMMRJL-IBGZPJMESA-N 0 1 354.906 5.264 10 0 FKAEMN Clc1ccc([C@H]2NCc3c4c(sc3-n3cccc32)CCCC4)cc1 ZINC000032917086 571060280 /nfs/dbraw/zinc/06/02/80/571060280.db2.gz KFGZSNALAMMRJL-LJQANCHMSA-N 0 1 354.906 5.264 10 0 FKAEMN CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2)[nH+]c2c(C(=O)[O-])cccn12 ZINC000032918529 571060350 /nfs/dbraw/zinc/06/03/50/571060350.db2.gz ZKHGNNXVQNSYRM-UHFFFAOYSA-N 0 1 365.477 5.326 10 0 FKAEMN CCC(=O)N(c1cccc(C)c1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000034683018 570532246 /nfs/dbraw/zinc/53/22/46/570532246.db2.gz GMRRAEUYMTVGHE-UHFFFAOYSA-N 0 1 370.924 5.056 10 0 FKAEMN Fc1ccccc1O[C@H](CC[N@H+]1CCc2ccccc2C1)c1cccs1 ZINC000034726878 208107920 /nfs/dbraw/zinc/10/79/20/208107920.db2.gz ATRMFGSWQPSIRA-OAQYLSRUSA-N 0 1 367.489 5.456 10 0 FKAEMN CC[C@H](C(=O)Nc1c(C(C)C)n[nH]c1-c1ccc(F)cc1)c1ccccc1 ZINC000034796432 208108343 /nfs/dbraw/zinc/10/83/43/208108343.db2.gz SDOOHGOGMIHDBO-SFHVURJKSA-N 0 1 365.452 5.472 10 0 FKAEMN CC[C@@H](C(=O)Nc1c(C(C)C)n[nH]c1-c1ccc(F)cc1)c1ccccc1 ZINC000034796433 570559189 /nfs/dbraw/zinc/55/91/89/570559189.db2.gz SDOOHGOGMIHDBO-GOSISDBHSA-N 0 1 365.452 5.472 10 0 FKAEMN O=C(Nc1c(C2CC2)n[nH]c1-c1cccc(F)c1)Nc1ccc(F)c(F)c1 ZINC000034796647 570559390 /nfs/dbraw/zinc/55/93/90/570559390.db2.gz UHADQZVJSFJACS-UHFFFAOYSA-N 0 1 372.350 5.015 10 0 FKAEMN C[C@H](NCc1ccc(Cl)cc1Cl)c1cccc(Br)c1 ZINC000035231457 207075020 /nfs/dbraw/zinc/07/50/20/207075020.db2.gz MFPLCDSHFYYADO-JTQLQIEISA-N 0 1 359.094 5.607 10 0 FKAEMN C[C@@H](NCc1ccc(Cl)cc1Cl)c1cccc(Br)c1 ZINC000035231458 204186797 /nfs/dbraw/zinc/18/67/97/204186797.db2.gz MFPLCDSHFYYADO-SNVBAGLBSA-N 0 1 359.094 5.607 10 0 FKAEMN C[C@H](NCc1csc(Br)c1)c1ccc(Cl)c(Cl)c1 ZINC000035251221 220774683 /nfs/dbraw/zinc/77/46/83/220774683.db2.gz VHXSICDFJUDXQJ-QMMMGPOBSA-N 0 1 365.123 5.668 10 0 FKAEMN C[C@@H](NCc1csc(Br)c1)c1ccc(Cl)c(Cl)c1 ZINC000035251224 208121316 /nfs/dbraw/zinc/12/13/16/208121316.db2.gz VHXSICDFJUDXQJ-MRVPVSSYSA-N 0 1 365.123 5.668 10 0 FKAEMN CN[C@@H](c1ccc(Cl)s1)c1cc(Br)ccc1Cl ZINC000035497978 208126404 /nfs/dbraw/zinc/12/64/04/208126404.db2.gz XBWVOYPVVOXCBG-GFCCVEGCSA-N 0 1 351.096 5.126 10 0 FKAEMN CN[C@@H](c1ccc(Cl)c(Cl)c1)c1cc(Br)ccc1F ZINC000035501522 204296939 /nfs/dbraw/zinc/29/69/39/204296939.db2.gz UVGFWDXNJLVPSP-AWEZNQCLSA-N 0 1 363.057 5.204 10 0 FKAEMN CN[C@H](c1ccc(Cl)c(Cl)c1)c1cc(F)ccc1Br ZINC000035501620 207193904 /nfs/dbraw/zinc/19/39/04/207193904.db2.gz KEGAUZVVQSLNID-CQSZACIVSA-N 0 1 363.057 5.204 10 0 FKAEMN CN[C@@H](c1ccc(Br)s1)c1cc(Cl)ccc1Cl ZINC000035501813 208126295 /nfs/dbraw/zinc/12/62/95/208126295.db2.gz HZGYTDWTNOQFQI-GFCCVEGCSA-N 0 1 351.096 5.126 10 0 FKAEMN CN[C@H](c1cc(Cl)sc1Cl)c1cccc(Br)c1 ZINC000035502147 208126224 /nfs/dbraw/zinc/12/62/24/208126224.db2.gz VKDRMYYITFXREP-NSHDSACASA-N 0 1 351.096 5.126 10 0 FKAEMN CCN[C@H](c1ccc(Cl)s1)c1cc(Br)ccc1Cl ZINC000035552893 208129601 /nfs/dbraw/zinc/12/96/01/208129601.db2.gz IGQKLYVFSGBDFA-ZDUSSCGKSA-N 0 1 365.123 5.516 10 0 FKAEMN CCN[C@@H](c1ccc(Br)s1)c1cc(Cl)ccc1Cl ZINC000035558676 208129891 /nfs/dbraw/zinc/12/98/91/208129891.db2.gz REKCRILITUXIOY-CYBMUJFWSA-N 0 1 365.123 5.516 10 0 FKAEMN CCN[C@H](c1ccc(Br)s1)c1cc(Cl)ccc1Cl ZINC000035558679 208129901 /nfs/dbraw/zinc/12/99/01/208129901.db2.gz REKCRILITUXIOY-ZDUSSCGKSA-N 0 1 365.123 5.516 10 0 FKAEMN CCN[C@@H](c1cc(Cl)sc1Cl)c1cccc(Br)c1 ZINC000035559460 208131432 /nfs/dbraw/zinc/13/14/32/208131432.db2.gz CGNSXFGXWZKMFQ-GFCCVEGCSA-N 0 1 365.123 5.516 10 0 FKAEMN CCCN[C@H](c1ccc(Cl)s1)c1ccc(Br)cc1F ZINC000035583572 207218140 /nfs/dbraw/zinc/21/81/40/207218140.db2.gz OCOIXIUNVDHHKG-AWEZNQCLSA-N 0 1 362.695 5.392 10 0 FKAEMN CCCN[C@@H](c1ccc(Cl)s1)c1cc(Br)ccc1F ZINC000035583576 204318442 /nfs/dbraw/zinc/31/84/42/204318442.db2.gz QUMDGBSJZNNENT-CQSZACIVSA-N 0 1 362.695 5.392 10 0 FKAEMN CCCN[C@H](c1ccc(Cl)s1)c1cc(Br)ccc1F ZINC000035583577 207218167 /nfs/dbraw/zinc/21/81/67/207218167.db2.gz QUMDGBSJZNNENT-AWEZNQCLSA-N 0 1 362.695 5.392 10 0 FKAEMN CCCN[C@@H](c1ccc(Br)o1)c1ccc(Cl)c(Cl)c1 ZINC000035584810 204317494 /nfs/dbraw/zinc/31/74/94/204317494.db2.gz PBILIFNMRPGABN-CQSZACIVSA-N 0 1 363.082 5.438 10 0 FKAEMN N[C@H](c1cc(Cl)sc1Cl)c1cc(Br)ccc1Cl ZINC000037287942 205024929 /nfs/dbraw/zinc/02/49/29/205024929.db2.gz RJGWBDDCGUBULV-JTQLQIEISA-N 0 1 371.514 5.519 10 0 FKAEMN N[C@H](c1cc(Cl)sc1Cl)c1cc(Br)ccc1F ZINC000037379483 205025711 /nfs/dbraw/zinc/02/57/11/205025711.db2.gz JVSDRJPNYDOZHZ-JTQLQIEISA-N 0 1 355.059 5.005 10 0 FKAEMN CC(C)Oc1ccccc1[C@@H](C)N[C@@H](C)c1ccc(Br)s1 ZINC000038003077 207797820 /nfs/dbraw/zinc/79/78/20/207797820.db2.gz UEYHBUWJFDFHQG-OLZOCXBDSA-N 0 1 368.340 5.710 10 0 FKAEMN CC(C)Oc1ccccc1[C@@H](C)N[C@H](C)c1ccc(Br)s1 ZINC000038003079 211342987 /nfs/dbraw/zinc/34/29/87/211342987.db2.gz UEYHBUWJFDFHQG-CHWSQXEVSA-N 0 1 368.340 5.710 10 0 FKAEMN Cc1c2nc(Nc3cc(Cl)c(O)c(Cl)c3)sc2c(C)c(O)c1C ZINC000039127698 205044114 /nfs/dbraw/zinc/04/41/14/205044114.db2.gz CWDFSGAHQWHXPL-UHFFFAOYSA-N 0 1 369.273 5.683 10 0 FKAEMN CCCCCCOc1ccc(-c2nc3ccc(C)cc3[nH]2)cc1OCC ZINC000041006012 205087521 /nfs/dbraw/zinc/08/75/21/205087521.db2.gz GAMZQBBPDUEOOO-UHFFFAOYSA-N 0 1 352.478 5.896 10 0 FKAEMN Cc1ccc2nc(-c3ccc(OCc4ccc(C(C)(C)C)cc4)cc3)[nH]c2c1 ZINC000041006081 211767060 /nfs/dbraw/zinc/76/70/60/211767060.db2.gz SDVHHSVTCCFOFZ-UHFFFAOYSA-N 0 1 370.496 6.415 10 0 FKAEMN Cc1ccc2nc(-c3ccc(OCc4cc(C)c(C)cc4C)cc3)[nH]c2c1 ZINC000041006087 208277997 /nfs/dbraw/zinc/27/79/97/208277997.db2.gz LHXTZQHHVSXQQB-UHFFFAOYSA-N 0 1 356.469 6.043 10 0 FKAEMN Cc1ccc2nc(-c3ccccc3OCc3ccc(C(C)(C)C)cc3)[nH]c2c1 ZINC000041006126 220927863 /nfs/dbraw/zinc/92/78/63/220927863.db2.gz WCCSTYCBXYVMFZ-UHFFFAOYSA-N 0 1 370.496 6.415 10 0 FKAEMN CCCCOc1ccc(Br)cc1-c1nc2ccc(C)cc2[nH]1 ZINC000041006136 208278421 /nfs/dbraw/zinc/27/84/21/208278421.db2.gz GACWXFPBTXQLIH-UHFFFAOYSA-N 0 1 359.267 5.480 10 0 FKAEMN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(-c2cccs2)n[nH]1 ZINC000051315656 205181973 /nfs/dbraw/zinc/18/19/73/205181973.db2.gz YANBQNRURKSLFK-UHFFFAOYSA-N 0 1 361.426 5.183 10 0 FKAEMN CC[C@H](NCc1cc(Br)c(Br)o1)c1ccccc1 ZINC000051627161 205183953 /nfs/dbraw/zinc/18/39/53/205183953.db2.gz NORCODTVELQKBV-ZDUSSCGKSA-N 0 1 373.088 5.046 10 0 FKAEMN CC[C@@H](NCc1cc(Br)c(Br)o1)c1ccccc1 ZINC000051627163 205183932 /nfs/dbraw/zinc/18/39/32/205183932.db2.gz NORCODTVELQKBV-CYBMUJFWSA-N 0 1 373.088 5.046 10 0 FKAEMN C[C@H](N[C@@H](C)c1cccc(Cl)c1)C(=O)Nc1ccccc1C(F)(F)F ZINC000052660068 568376923 /nfs/dbraw/zinc/37/69/23/568376923.db2.gz DHTODUXTXNVZQS-RYUDHWBXSA-N 0 1 370.802 5.037 10 0 FKAEMN Cc1cccc(-c2ncc(CN[C@@H](CC(C)(C)C)c3cccnc3)cn2)c1 ZINC000055360090 571120011 /nfs/dbraw/zinc/12/00/11/571120011.db2.gz FEWVIFFCJWZKMU-NRFANRHFSA-N 0 1 360.505 5.114 10 0 FKAEMN Cc1cccc(-c2ncc(CN[C@H](CC(C)(C)C)c3cccnc3)cn2)c1 ZINC000055360093 571119847 /nfs/dbraw/zinc/11/98/47/571119847.db2.gz FEWVIFFCJWZKMU-OAQYLSRUSA-N 0 1 360.505 5.114 10 0 FKAEMN O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000057412123 205238974 /nfs/dbraw/zinc/23/89/74/205238974.db2.gz IONVQFPILLUMTL-UHFFFAOYSA-N 0 1 365.742 5.001 10 0 FKAEMN O=C(Nc1cc(Cl)ccc1F)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000057413175 221088297 /nfs/dbraw/zinc/08/82/97/221088297.db2.gz OSIKUGJVBMVRIK-UHFFFAOYSA-N 0 1 365.795 5.275 10 0 FKAEMN Fc1ccc(-c2nn(-c3ccncc3)c3ccc(C(F)(F)F)cc32)cc1 ZINC000059051506 212015594 /nfs/dbraw/zinc/01/55/94/212015594.db2.gz YCOFCTNUBAJWDO-UHFFFAOYSA-N 0 1 357.310 5.245 10 0 FKAEMN C[C@@H](NCc1cccc(Cl)c1Cl)c1ccc(Br)cc1 ZINC000070137566 208132320 /nfs/dbraw/zinc/13/23/20/208132320.db2.gz OZMLHZXRZIRQCF-SNVBAGLBSA-N 0 1 359.094 5.607 10 0 FKAEMN Cn1cc(CN2CCC(F)(F)CC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000072463374 571198048 /nfs/dbraw/zinc/19/80/48/571198048.db2.gz BUDKXHRPECOIKL-UHFFFAOYSA-N 0 1 373.491 5.366 10 0 FKAEMN Cc1cc2nc(-c3ccc(Br)cc3Cl)[nH]c2cc1Cl ZINC000073638127 208188613 /nfs/dbraw/zinc/18/86/13/208188613.db2.gz UVYSXPHJNXESBO-UHFFFAOYSA-N 0 1 356.050 5.608 10 0 FKAEMN Cc1ccc2nc(-c3ccc(Br)cc3Br)[nH]c2c1 ZINC000073638180 571109038 /nfs/dbraw/zinc/10/90/38/571109038.db2.gz NCXNZCVAIXRVIY-UHFFFAOYSA-N 0 1 366.056 5.063 10 0 FKAEMN Clc1ccc2nc(-c3cccc4c(Br)cccc34)[nH]c2c1 ZINC000073639193 205032081 /nfs/dbraw/zinc/03/20/81/205032081.db2.gz PLKFTYVEKDSSLV-UHFFFAOYSA-N 0 1 357.638 5.799 10 0 FKAEMN Cc1cc2nc(-c3cccc4c(Br)cccc34)[nH]c2cc1Cl ZINC000073639196 205032153 /nfs/dbraw/zinc/03/21/53/205032153.db2.gz YPGMTKQYNJAWII-UHFFFAOYSA-N 0 1 371.665 6.107 10 0 FKAEMN Cc1cc2nc(-c3cc(Br)ccc3Cl)[nH]c2cc1Cl ZINC000073639912 571109362 /nfs/dbraw/zinc/10/93/62/571109362.db2.gz ABHXLXCHJXKGSF-UHFFFAOYSA-N 0 1 356.050 5.608 10 0 FKAEMN Cc1cc2nc(-c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c(C)c1 ZINC000085345311 571274602 /nfs/dbraw/zinc/27/46/02/571274602.db2.gz OBVHHUOJURIXHQ-UHFFFAOYSA-N 0 1 367.246 5.869 10 0 FKAEMN Cc1ccc2nc(-c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000085345313 205167012 /nfs/dbraw/zinc/16/70/12/205167012.db2.gz HZYYKIHATKUBOE-UHFFFAOYSA-N 0 1 353.219 5.561 10 0 FKAEMN Clc1ccc2nc(-c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 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