smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2c(cc1C=C1C(=O)[N-]C(=S)N(C)C1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223500456 136205786 /nfs/dbraw/zinc/20/57/86/136205786.db2.gz RIPAJDPAUMTLPM-LICLKQGHSA-N -1 1 397.544 3.662 40 10 GHCBMM Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000409146058 231171415 /nfs/dbraw/zinc/17/14/15/231171415.db2.gz QLOIYKWTAMGNMG-UNOMPAQXSA-N -1 1 389.480 3.504 40 10 GHCBMM COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccccc1 ZINC000058822986 570648870 /nfs/dbraw/zinc/64/88/70/570648870.db2.gz KRNUMOMZMUUFPD-UHFFFAOYSA-N -1 1 386.791 3.517 40 10 GHCBMM COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccccc1 ZINC000058822986 570648874 /nfs/dbraw/zinc/64/88/74/570648874.db2.gz KRNUMOMZMUUFPD-UHFFFAOYSA-N -1 1 386.791 3.517 40 10 GHCBMM COC(=O)Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccc(Cl)cc1 ZINC000112121486 533323252 /nfs/dbraw/zinc/32/32/52/533323252.db2.gz LRTRVRJQZRUCTK-UYRXBGFRSA-N -1 1 383.835 3.992 40 10 GHCBMM Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c(Cl)c1[O-] ZINC000004173222 204030618 /nfs/dbraw/zinc/03/06/18/204030618.db2.gz TWFZKGOHEKCRSO-UHFFFAOYSA-N -1 1 377.205 3.716 40 10 GHCBMM Cc1ccccc1NC(=O)COc1ccc(C=C2SC(=S)[N-]C2=O)cc1 ZINC000014903963 570900100 /nfs/dbraw/zinc/90/01/00/570900100.db2.gz DQJNJEBGRKNZHF-MHWRWJLKSA-N -1 1 384.482 3.501 40 10 GHCBMM Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccccc1F ZINC000035074562 856552710 /nfs/dbraw/zinc/55/27/10/856552710.db2.gz VLIPYUKJALGCDJ-AQTBWJFISA-N -1 1 375.403 3.695 40 10 GHCBMM CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(OC)cc3)c2C)C(=O)[N-]C1=S ZINC000059182289 570651226 /nfs/dbraw/zinc/65/12/26/570651226.db2.gz HDGAFRGVCRAZNK-GZTJUZNOSA-N -1 1 383.473 3.590 40 10 GHCBMM O=C1[N-]C(=S)S/C1=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 ZINC000040942091 570270488 /nfs/dbraw/zinc/27/04/88/570270488.db2.gz DXFADSFNYYVWTP-PFONDFGASA-N -1 1 386.885 3.746 40 10 GHCBMM CN1C(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C(=O)[N-]C1=S ZINC000001242059 570714093 /nfs/dbraw/zinc/71/40/93/570714093.db2.gz KVESKEYFFRUBFS-GZTJUZNOSA-N -1 1 375.453 3.786 40 10 GHCBMM Cc1ccc(NC(=O)COc2ccc(C=C3SC(=S)[N-]C3=O)cc2)cc1 ZINC000015055967 570901543 /nfs/dbraw/zinc/90/15/43/570901543.db2.gz JXFDJEYHUZBGLW-YBEGLDIGSA-N -1 1 384.482 3.501 40 10 GHCBMM Cc1c(Cl)c([O-])c(Cl)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000005921439 204156929 /nfs/dbraw/zinc/15/69/29/204156929.db2.gz AONPOSRFIGVAIM-UHFFFAOYSA-N -1 1 377.205 3.716 40 10 GHCBMM COC(=O)c1ccc(Cl)c(-c2ccc(C=C3SC(=S)[N-]C3=O)o2)c1 ZINC000408820582 534156824 /nfs/dbraw/zinc/15/68/24/534156824.db2.gz YUYMCKFQZSPLIC-QPEQYQDCSA-N -1 1 379.846 3.875 40 10 GHCBMM CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc([O-])c(Br)c1 ZINC000408936592 570687509 /nfs/dbraw/zinc/68/75/09/570687509.db2.gz GVIOOPDQRAQSOL-NTEUORMPSA-N -1 1 385.217 3.597 40 10 GHCBMM O=C1[N-]C(=S)NC(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000058823021 570648795 /nfs/dbraw/zinc/64/87/95/570648795.db2.gz QJETYFLQRDFQIY-UHFFFAOYSA-N -1 1 390.823 3.813 40 10 GHCBMM O=C1[N-]C(=S)NC(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000058823021 570648800 /nfs/dbraw/zinc/64/88/00/570648800.db2.gz QJETYFLQRDFQIY-UHFFFAOYSA-N -1 1 390.823 3.813 40 10 GHCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000058823021 570648804 /nfs/dbraw/zinc/64/88/04/570648804.db2.gz QJETYFLQRDFQIY-UHFFFAOYSA-N -1 1 390.823 3.813 40 10 GHCBMM CCOc1ccc2ccc(OCC)c(C=C3C(=O)[N-]C(=S)N(C)C3=O)c2c1 ZINC000033311666 206095872 /nfs/dbraw/zinc/09/58/72/206095872.db2.gz DRHNGXDZWNGQKI-WJDWOHSUSA-N -1 1 384.457 3.734 40 10 GHCBMM CN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)[N-]C1=S ZINC000006578472 204184760 /nfs/dbraw/zinc/18/47/60/204184760.db2.gz SYOBQKKXFWRMMM-GDNBJRDFSA-N -1 1 388.901 3.748 40 10 GHCBMM COc1cccc(-n2c(C)cc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)c2C)c1 ZINC000033766396 856550404 /nfs/dbraw/zinc/55/04/04/856550404.db2.gz YEHZFOTZURZPGP-BKUYFWCQSA-N -1 1 387.439 3.564 40 10 GHCBMM Cc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)c(C)n1-c1ccc(Cl)cc1 ZINC000009234961 570553123 /nfs/dbraw/zinc/55/31/23/570553123.db2.gz NPEZYQNEEXKUKJ-FPYGCLRLSA-N -1 1 386.795 3.615 40 10 GHCBMM Cc1ccc(NC(=O)COc2cccc(C=C3SC(=S)[N-]C3=O)c2)cc1 ZINC000015056009 570901448 /nfs/dbraw/zinc/90/14/48/570901448.db2.gz ZMVXSWYJRQGIOK-YBEGLDIGSA-N -1 1 384.482 3.501 40 10 GHCBMM O=C1[N-]C(=S)S/C1=C/c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 ZINC000012370126 856545917 /nfs/dbraw/zinc/54/59/17/856545917.db2.gz ISMQVFNYDZQZAL-WQLSENKSSA-N -1 1 375.456 3.630 40 10 GHCBMM COC(=O)c1ccc(-c2ccc(C=C3SC(=S)[N-]C3=O)o2)cc1Cl ZINC000408813096 533943999 /nfs/dbraw/zinc/94/39/99/533943999.db2.gz FBHFKGZEBYYTQZ-QPEQYQDCSA-N -1 1 379.846 3.875 40 10 GHCBMM Cc1cc(C=C2NC(=S)[N-]C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000001170587 570712908 /nfs/dbraw/zinc/71/29/08/570712908.db2.gz DDMJJZPGGRKWMD-RIYZIHGNSA-N -1 1 376.279 3.613 40 10 GHCBMM Cc1cccc(NC(=O)COc2cccc(C=C3SC(=S)[N-]C3=O)c2)c1 ZINC000015056039 570901470 /nfs/dbraw/zinc/90/14/70/570901470.db2.gz BKQMHKVNMJDFOY-YBEGLDIGSA-N -1 1 384.482 3.501 40 10 GHCBMM CN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C(=O)[N-]C1=S ZINC000409022126 530039617 /nfs/dbraw/zinc/03/96/17/530039617.db2.gz FMNKPYZKHBYBEC-XYOKQWHBSA-N -1 1 394.930 3.809 40 10 GHCBMM Cc1cc2c(cc1C=C1C(=O)[N-]C(=S)N(C)C1=O)[C@H](C)CC(C)(C)N2C(C)C ZINC000223587125 136205863 /nfs/dbraw/zinc/20/58/63/136205863.db2.gz DXBHFNMKAQTNGX-NGWPFTMJSA-N -1 1 399.560 3.752 40 10 GHCBMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccc(N2CCCC2)cc1 ZINC000007365420 570758259 /nfs/dbraw/zinc/75/82/59/570758259.db2.gz VIUCGCSHGXVSER-UHFFFAOYSA-N -1 1 381.505 3.960 40 10 GHCBMM O=C1[N-]C(=O)/C(=C\c2c(Cc3ccccc3Cl)ccc3ccccc32)C(=O)N1 ZINC000408885227 534785231 /nfs/dbraw/zinc/78/52/31/534785231.db2.gz XZERPKRCPIGPNH-UHFFFAOYSA-N -1 1 390.826 3.833 40 10 GHCBMM O=C1[N-]C(=O)/C(=C/c2c(Cc3ccccc3Cl)ccc3ccccc32)C(=O)N1 ZINC000408885227 534785238 /nfs/dbraw/zinc/78/52/38/534785238.db2.gz XZERPKRCPIGPNH-UHFFFAOYSA-N -1 1 390.826 3.833 40 10 GHCBMM Cc1ccc([N-]N=C2C(=O)Nc3ccccc3C2=O)c(S(=O)(=O)N(C)C)c1 ZINC000013125933 560213506 /nfs/dbraw/zinc/21/35/06/560213506.db2.gz OUECECSFOVBXOS-MRCUWXFGSA-N -1 1 386.433 3.620 40 10 in-vitro GHCBMM COc1cc(N=C(C)c2c(C)[n-]n(-c3ccccc3)c2=O)cc(OC)c1OC ZINC000013532703 570757077 /nfs/dbraw/zinc/75/70/77/570757077.db2.gz UMBNZCREXNSTMY-CPNJWEJPSA-N -1 1 381.432 3.821 40 10 GHCBMM CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=S)N(CC)C3=O)o2)cc1 ZINC000033748305 570646031 /nfs/dbraw/zinc/64/60/31/570646031.db2.gz SLHBYZYZEVWLSV-RVDMUPIBSA-N -1 1 398.440 3.610 40 10 GHCBMM Cc1occc1C(=O)[N-]N1C(=O)/C(=C/c2ccc3ncccc3c2)SC1=S ZINC000102735745 570291734 /nfs/dbraw/zinc/29/17/34/570291734.db2.gz GXIJDTHRAYOJNT-YBEGLDIGSA-N -1 1 395.465 3.682 40 10 GHCBMM CN1C(=O)C(=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)[N-]C1=S ZINC000059182153 570651186 /nfs/dbraw/zinc/65/11/86/570651186.db2.gz HJGKEEVWQGGOTR-LICLKQGHSA-N -1 1 393.443 3.926 40 10 GHCBMM COc1cc(N2N=C(C)C(=CNc3ccc(C(=O)[O-])cc3)C2=O)ccc1Cl ZINC000408536978 532960069 /nfs/dbraw/zinc/96/00/69/532960069.db2.gz YPMXYTKMFPJIFD-GDNBJRDFSA-N -1 1 385.807 3.765 40 10 GHCBMM COc1cc(-n2[nH]c(C)c(C=Nc3ccc(C(=O)[O-])cc3)c2=O)ccc1Cl ZINC000408536978 532960075 /nfs/dbraw/zinc/96/00/75/532960075.db2.gz YPMXYTKMFPJIFD-GDNBJRDFSA-N -1 1 385.807 3.765 40 10 GHCBMM Cc1cccc(NC(=O)COc2ccc(C=C3SC(=S)[N-]C3=O)cc2)c1 ZINC000014903964 570900150 /nfs/dbraw/zinc/90/01/50/570900150.db2.gz KJBQUWLJLIQFPX-YBEGLDIGSA-N -1 1 384.482 3.501 40 10 GHCBMM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1O ZINC000408965819 231137643 /nfs/dbraw/zinc/13/76/43/231137643.db2.gz MIEKMHNSOLRXDH-WUXMJOGZSA-N -1 1 395.173 3.505 40 10 GHCBMM COC(=O)c1ccc(N=Cc2c(C)[n-]n(-c3ccc(Cl)c(OC)c3)c2=O)cc1 ZINC000408534309 534184920 /nfs/dbraw/zinc/18/49/20/534184920.db2.gz QFYYSIHUQHANNJ-WJDWOHSUSA-N -1 1 399.834 3.854 40 10 GHCBMM O=C1[N-]C(=S)NC(=O)/C1=C\c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000006890224 570498631 /nfs/dbraw/zinc/49/86/31/570498631.db2.gz WPEIYBMTBAQPIF-UHFFFAOYSA-N -1 1 385.426 3.501 40 10 GHCBMM O=C1[N-]C(=S)NC(=O)/C1=C/c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000006890224 570498634 /nfs/dbraw/zinc/49/86/34/570498634.db2.gz WPEIYBMTBAQPIF-UHFFFAOYSA-N -1 1 385.426 3.501 40 10 GHCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000006890224 570498637 /nfs/dbraw/zinc/49/86/37/570498637.db2.gz WPEIYBMTBAQPIF-UHFFFAOYSA-N -1 1 385.426 3.501 40 10 GHCBMM Cc1cccc(NC(=O)COc2ccccc2C=C2SC(=S)[N-]C2=O)c1 ZINC000015056147 570901570 /nfs/dbraw/zinc/90/15/70/570901570.db2.gz MJJNDKNRZWHRIT-YBEGLDIGSA-N -1 1 384.482 3.501 40 10 GHCBMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OC(=O)c1cccc(F)c1 ZINC000408895930 533473860 /nfs/dbraw/zinc/47/38/60/533473860.db2.gz OLFCOFDXHASDRH-NVNXTCNLSA-N -1 1 389.429 3.542 40 10 GHCBMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OC(C)C ZINC000040942104 570270661 /nfs/dbraw/zinc/27/06/61/570270661.db2.gz UYBIFHBFPIQJRW-WDZFZDKYSA-N -1 1 388.308 3.734 40 10 GHCBMM Cc1cc(-n2cccc2/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1Cl ZINC000033720888 856549276 /nfs/dbraw/zinc/54/92/76/856549276.db2.gz GJWZCODLYVNURK-AQTBWJFISA-N -1 1 377.831 3.901 40 10 GHCBMM Cc1oc2c(ccc([O-])c2C[N@H+]2CCC[C@H]2C(=O)[O-])c(=O)c1-c1ccc(F)cc1 ZINC000004029497 209231428 /nfs/dbraw/zinc/23/14/28/209231428.db2.gz ZBEYEZOELOMFRG-KRWDZBQOSA-N -1 1 397.402 3.662 40 10 GHCBMM COC(=O)c1cccc(-n2c(C)cc(C=C3SC(=S)[N-]C3=O)c2C)c1C ZINC000408992323 570690645 /nfs/dbraw/zinc/69/06/45/570690645.db2.gz ABMPKKLGRVRNQZ-SXGWCWSVSA-N -1 1 386.498 3.678 40 10 GHCBMM CCN1C(=O)NC(=O)C(=Cc2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C1=O ZINC000020518165 570251206 /nfs/dbraw/zinc/25/12/06/570251206.db2.gz GSRLQQSKHXKQQT-XYOKQWHBSA-N -1 1 388.763 3.620 40 10 GHCBMM Cc1ccc(NC(=O)COc2ccc(C=C3SC(=S)[N-]C3=O)cc2)cc1C ZINC000211965733 856568290 /nfs/dbraw/zinc/56/82/90/856568290.db2.gz HKCWRGMYPGEWCZ-LICLKQGHSA-N -1 1 398.509 3.810 40 10 GHCBMM CC1=NN(c2nn[n-]n2)C(=O)C1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000012412857 570419198 /nfs/dbraw/zinc/41/91/98/570419198.db2.gz NCMUPEKWOMUHJR-XFFZJAGNSA-N -1 1 389.202 3.573 40 10 GHCBMM COC(=O)c1ccc(Cn2cc(C=C3SC(=S)[N-]C3=O)c3ccccc32)o1 ZINC000409390007 534165808 /nfs/dbraw/zinc/16/58/08/534165808.db2.gz DDNLZRDHFPICRI-LZYBPNLTSA-N -1 1 398.465 3.558 40 10 GHCBMM O=C1[N-]C(=S)NC(=O)/C1=C\c1cc(Cl)ccc1OCc1ccccc1F ZINC000058823018 570648598 /nfs/dbraw/zinc/64/85/98/570648598.db2.gz SKOCHXKGZSUFPT-UHFFFAOYSA-N -1 1 390.823 3.813 40 10 GHCBMM O=C1[N-]C(=S)NC(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1F ZINC000058823018 570648600 /nfs/dbraw/zinc/64/86/00/570648600.db2.gz SKOCHXKGZSUFPT-UHFFFAOYSA-N -1 1 390.823 3.813 40 10 GHCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000058823018 570648602 /nfs/dbraw/zinc/64/86/02/570648602.db2.gz SKOCHXKGZSUFPT-UHFFFAOYSA-N -1 1 390.823 3.813 40 10 GHCBMM O=C([N-]N1C(=O)/C(=C/c2ccc[nH]2)SC1=S)c1ccc(Cl)cc1Cl ZINC000005552847 570446084 /nfs/dbraw/zinc/44/60/84/570446084.db2.gz ITHZSQCQYUHPPI-GHXNOFRVSA-N -1 1 398.296 3.868 40 10 GHCBMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1cccc(F)c1 ZINC000107988616 856556397 /nfs/dbraw/zinc/55/63/97/856556397.db2.gz JAJWRIDWQPTWFA-SXGWCWSVSA-N -1 1 375.446 3.902 40 10 GHCBMM CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)[N-]C1=S ZINC000005879177 570460341 /nfs/dbraw/zinc/46/03/41/570460341.db2.gz ISFNSXIHYAKDED-YRNVUSSQSA-N -1 1 381.240 3.510 40 10 GHCBMM COC(=O)c1ccc(-n2c(C)cc(C=C3SC(=S)[N-]C3=O)c2C)c(C)c1 ZINC000408992727 570691459 /nfs/dbraw/zinc/69/14/59/570691459.db2.gz BHYTVOFRRXFXCT-SXGWCWSVSA-N -1 1 386.498 3.678 40 10 GHCBMM COc1cc(N=C(C)c2c(C)[n-]n(-c3ccc(F)cc3)c2=O)cc(OC)c1OC ZINC000013532711 221271386 /nfs/dbraw/zinc/27/13/86/221271386.db2.gz OHARCYGBIXDPQD-XDHOZWIPSA-N -1 1 399.422 3.960 40 10 GHCBMM CCOc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=S)N(C)C3=O)c2C)cc1 ZINC000059182202 570651165 /nfs/dbraw/zinc/65/11/65/570651165.db2.gz YKSFMCSUXHQTFC-GZTJUZNOSA-N -1 1 383.473 3.590 40 10 GHCBMM Cc1cc2c(cc1C=C1C(=O)[N-]C(=S)N(C)C1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223587074 136205844 /nfs/dbraw/zinc/20/58/44/136205844.db2.gz DXBHFNMKAQTNGX-FBJMNJBLSA-N -1 1 399.560 3.752 40 10 GHCBMM Cc1[nH]n(-c2ccc(C)c(Cl)c2)c(=O)c1C=Nc1ccc(C(=O)[O-])c(O)c1 ZINC000408534590 528150433 /nfs/dbraw/zinc/15/04/33/528150433.db2.gz WDNKFIKJELUGFX-DHDCSXOGSA-N -1 1 385.807 3.771 40 10 GHCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OC(=O)c1ccccc1 ZINC000004838777 570633790 /nfs/dbraw/zinc/63/37/90/570633790.db2.gz RRSQNBSAITWQGB-WJDWOHSUSA-N -1 1 385.466 3.793 40 10 GHCBMM O=C(NN1C(=O)/C(=C\c2ccc([O-])c(Cl)c2)SC1=S)c1ccccc1 ZINC000409171603 231174783 /nfs/dbraw/zinc/17/47/83/231174783.db2.gz ASBDETIUXYTWMO-NTEUORMPSA-N -1 1 390.873 3.592 40 10 GHCBMM O=C([O-])c1cc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)ccc1O ZINC000226855862 570461812 /nfs/dbraw/zinc/46/18/12/570461812.db2.gz FOQBDEGJBJEOOO-UHFFFAOYSA-N -1 1 396.635 3.851 40 10 GHCBMM Cc1ccc(NC(=O)COc2cccc(C=C3SC(=S)[N-]C3=O)c2)cc1C ZINC000409384229 231198776 /nfs/dbraw/zinc/19/87/76/231198776.db2.gz BKYWKWLAYQLGIU-LICLKQGHSA-N -1 1 398.509 3.810 40 10 GHCBMM CCc1cccc(C)c1-n1c(C)cc(C=C2C(=O)[N-]C(=S)N(CC)C2=O)c1C ZINC000409392959 529733763 /nfs/dbraw/zinc/73/37/63/529733763.db2.gz UMGJERVLQMASDN-LDADJPATSA-N -1 1 395.528 3.612 40 10 GHCBMM CCN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)[N-]C1=S ZINC000409392545 528943534 /nfs/dbraw/zinc/94/35/34/528943534.db2.gz QJGFBGQNYRYRRR-UKTHLTGXSA-N -1 1 392.889 3.731 40 10 GHCBMM Cc1ccc([N-]N=C2C(=O)Nc3ccccc3C2=O)c(S(=O)(=O)N(C)C)c1 ZINC000022913206 570334192 /nfs/dbraw/zinc/33/41/92/570334192.db2.gz OUECECSFOVBXOS-QZQOTICOSA-N -1 1 386.433 3.620 40 10 in-vitro GHCBMM CCN1C(=O)/C(=C/c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)C(=O)[N-]C1=S ZINC000409389944 528943178 /nfs/dbraw/zinc/94/31/78/528943178.db2.gz BBMYWKKYBYAZOU-WOJGMQOQSA-N -1 1 395.528 3.666 40 10 GHCBMM Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000005337655 570434345 /nfs/dbraw/zinc/43/43/45/570434345.db2.gz DBXFRMLKCQOUEO-YBEGLDIGSA-N -1 1 394.387 3.628 40 10 GHCBMM O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc21 ZINC000005234088 570523678 /nfs/dbraw/zinc/52/36/78/570523678.db2.gz IPDSSCIOAMFMSQ-UHFFFAOYSA-N -1 1 397.839 3.916 40 10 GHCBMM CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)[N-]C1=S ZINC000005879176 570460324 /nfs/dbraw/zinc/46/03/24/570460324.db2.gz LSTFRUKQMGJIRK-JXMROGBWSA-N -1 1 381.240 3.510 40 10 GHCBMM COC(=O)c1ccc(C)c(-n2c(C)cc(C=C3SC(=S)[N-]C3=O)c2C)c1 ZINC000408996177 534049599 /nfs/dbraw/zinc/04/95/99/534049599.db2.gz LGMOPDMEEKNRRL-SXGWCWSVSA-N -1 1 386.498 3.678 40 10 GHCBMM CCOc1ccc(-c2ccc(C=C3SC(=S)[N-]C3=O)o2)cc1[N+](=O)[O-] ZINC000005713803 570452649 /nfs/dbraw/zinc/45/26/49/570452649.db2.gz ASZKTBAXZSWZLT-RIYZIHGNSA-N -1 1 376.415 3.742 40 10 GHCBMM CCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Cl ZINC000408538402 528147306 /nfs/dbraw/zinc/14/73/06/528147306.db2.gz MHIMFDWLYNKODT-UHFFFAOYSA-N -1 1 385.247 3.702 40 10 GHCBMM CCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Cl ZINC000408538402 528147310 /nfs/dbraw/zinc/14/73/10/528147310.db2.gz MHIMFDWLYNKODT-UHFFFAOYSA-N -1 1 385.247 3.702 40 10 GHCBMM COc1ccc([N-]S(=O)(=O)c2ccc(-n3c(C)ccc3C)cc2)c(OC)c1 ZINC000058850508 570648210 /nfs/dbraw/zinc/64/82/10/570648210.db2.gz DQQDQGVSYABVFP-UHFFFAOYSA-N -1 1 386.473 3.912 40 10 GHCBMM