smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1Cl ZINC000012201613 524386120 /nfs/dbraw/zinc/38/61/20/524386120.db2.gz HCRINNBICQKKKK-UHFFFAOYSA-N -1 3 429.281 3.456 50 0 IGAAHM CC(=O)N1CCOc2cc(S(=O)(=O)[N-]CCc3ccc(Cl)cc3)c(Cl)cc21 ZINC000009439879 534802120 /nfs/dbraw/zinc/80/21/20/534802120.db2.gz GGSFBWOMHLTTFO-UHFFFAOYSA-N -1 3 429.325 3.260 50 0 IGAAHM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(CCN2C(=O)c3cccnc3C2=O)cc1 ZINC000020933073 524995859 /nfs/dbraw/zinc/99/58/59/524995859.db2.gz FGFVZQLRJHAUDE-UHFFFAOYSA-N -1 3 439.468 3.169 50 0 IGAAHM COc1cccc(OCCOc2cccc([C@H]3SC([N-]C(C)=O)=NN3C(C)=O)c2)c1 ZINC000020896487 526234327 /nfs/dbraw/zinc/23/43/27/526234327.db2.gz NETFIVQLNULYQG-HXUWFJFHSA-N -1 3 429.498 3.154 50 0 IGAAHM O=C(CSc1nc2c(c(=O)[n-]1)CN(Cc1ccccc1)CC2)NCc1cccs1 ZINC000021810308 527057137 /nfs/dbraw/zinc/05/71/37/527057137.db2.gz WVCCULKDMOTKNZ-UHFFFAOYSA-N -1 3 426.567 3.211 50 0 IGAAHM O=S(=O)([N-]Cc1ccc(N2CCOCC2)nc1)c1ccc(Cl)cc1C(F)(F)F ZINC000012935460 527229707 /nfs/dbraw/zinc/22/97/07/527229707.db2.gz PLUWPZQYLMJSPC-UHFFFAOYSA-N -1 3 435.855 3.069 50 0 IGAAHM Cc1[nH]c2ccccc2c1C(=O)COC(=O)C[N-]S(=O)(=O)C=Cc1ccc(C)cc1 ZINC000009671913 555587001 /nfs/dbraw/zinc/58/70/01/555587001.db2.gz PKNFYMSSLKGUSK-VAWYXSNFSA-N -1 3 426.494 3.101 50 0 IGAAHM COc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c(OC)c1 ZINC000002717775 556131257 /nfs/dbraw/zinc/13/12/57/556131257.db2.gz VZMYQMBAOZKCKS-UHFFFAOYSA-N -1 3 437.481 3.269 50 0 IGAAHM Cc1nn(Cc2n[n-]c(=S)n2-c2cnn(Cc3ccccc3)c2)c(C)c1Br ZINC000002808774 556146651 /nfs/dbraw/zinc/14/66/51/556146651.db2.gz UDRAYIPUOLOHIR-UHFFFAOYSA-N -1 3 444.362 3.425 50 0 IGAAHM COc1cc([C@H]2c3c(ccc4ccccc43)Nc3[nH]c(=O)[n-]c(=O)c32)cc(OC)c1OC ZINC000012418739 556404305 /nfs/dbraw/zinc/40/43/05/556404305.db2.gz JZLFLEYOGORZJJ-SFHVURJKSA-N -1 3 431.448 3.479 50 0 IGAAHM C[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032855446 556433152 /nfs/dbraw/zinc/43/31/52/556433152.db2.gz MJGHCPRHUYBOJU-LLVKDONJSA-N -1 3 437.934 3.051 50 0 IGAAHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H](c3ccc(OC)cc3)C3CC3)cc(C3CC3)nc21 ZINC000030253318 556492117 /nfs/dbraw/zinc/49/21/17/556492117.db2.gz SLNCXPDREYLKJF-NRFANRHFSA-N -1 3 448.523 3.262 50 0 IGAAHM COc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)[N-]CC(F)(F)F)cc3)coc2c1 ZINC000015099817 556503451 /nfs/dbraw/zinc/50/34/51/556503451.db2.gz AKSSBVWVFMUZNJ-UHFFFAOYSA-N -1 3 442.415 3.463 50 0 IGAAHM O=C(CCC[N-]S(=O)(=O)c1ccc(Br)s1)N1CCc2ccccc21 ZINC000030947759 556517656 /nfs/dbraw/zinc/51/76/56/556517656.db2.gz SJUIUBVWIDNZLP-UHFFFAOYSA-N -1 3 429.361 3.158 50 0 IGAAHM C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011718094 556644349 /nfs/dbraw/zinc/64/43/49/556644349.db2.gz JBWZRYSJOASVKG-CYBMUJFWSA-N -1 3 427.979 3.171 50 0 IGAAHM CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000100741651 556659920 /nfs/dbraw/zinc/65/99/20/556659920.db2.gz NOZYYINCPMRNJH-RDJZCZTQSA-N -1 3 432.263 3.291 50 0 IGAAHM O=C(CC[N-]S(=O)(=O)c1ccc(Br)s1)NCc1ccccc1Cl ZINC000013521853 556676072 /nfs/dbraw/zinc/67/60/72/556676072.db2.gz SJZGFBRRCPCNAC-UHFFFAOYSA-N -1 3 437.768 3.149 50 0 IGAAHM Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1cccc(Cl)c1Cl ZINC000011997741 556679430 /nfs/dbraw/zinc/67/94/30/556679430.db2.gz RRAKQWUEVLAWMA-UHFFFAOYSA-N -1 3 449.337 3.169 50 0 IGAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(Br)cc1)CC(=O)N2 ZINC000046074055 557030121 /nfs/dbraw/zinc/03/01/21/557030121.db2.gz FNACCXSDAHZUBW-NSHDSACASA-N -1 3 437.319 3.099 50 0 IGAAHM Cc1ccc(-c2cc([N-]C(=O)CN3CCN(Cc4ccc5c(c4)OCO5)CC3)on2)cc1 ZINC000022780115 557042756 /nfs/dbraw/zinc/04/27/56/557042756.db2.gz OVGIAUMGHBQYEQ-UHFFFAOYSA-N -1 3 434.496 3.135 50 0 IGAAHM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)[N-]c3nnc(-c4ccccn4)o3)cc2)C1 ZINC000017244975 557044094 /nfs/dbraw/zinc/04/40/94/557044094.db2.gz VYPNMNQHZBHGLR-GASCZTMLSA-N -1 3 441.513 3.051 50 0 IGAAHM CCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)ccc21 ZINC000017316564 557057292 /nfs/dbraw/zinc/05/72/92/557057292.db2.gz IOGIFZUFTHSESP-UHFFFAOYSA-N -1 3 434.583 3.469 50 0 IGAAHM Cn1c(CC(=O)Nc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccccc1[O-] ZINC000009328593 557187270 /nfs/dbraw/zinc/18/72/70/557187270.db2.gz NIFZMNOWQCYTPI-UHFFFAOYSA-N -1 3 431.905 3.086 50 0 IGAAHM O=C(NCc1cccc(C(F)(F)F)c1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000025062918 557193571 /nfs/dbraw/zinc/19/35/71/557193571.db2.gz HYUSRAHVEVZWMQ-UHFFFAOYSA-N -1 3 447.504 3.419 50 0 IGAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000101027625 557213945 /nfs/dbraw/zinc/21/39/45/557213945.db2.gz ZLIJLRZZUHFMRB-ZLNRFVROSA-N -1 3 446.459 3.461 50 0 IGAAHM Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011720058 557235677 /nfs/dbraw/zinc/23/56/77/557235677.db2.gz LHMVFVGUHHNVEX-AWEZNQCLSA-N -1 3 442.006 3.480 50 0 IGAAHM O=c1c(CN2CCc3ccccc3C2)coc([O-])c1CN1CCO[C@@H](c2ccccc2)C1 ZINC000101373813 557280674 /nfs/dbraw/zinc/28/06/74/557280674.db2.gz LJHPLKSUIBPCBF-XMMPIXPASA-N -1 3 432.520 3.477 50 0 IGAAHM O=c1occ(CN2CCc3ccccc3C2)c([O-])c1CN1CCO[C@@H](c2ccccc2)C1 ZINC000101373813 557280678 /nfs/dbraw/zinc/28/06/78/557280678.db2.gz LJHPLKSUIBPCBF-XMMPIXPASA-N -1 3 432.520 3.477 50 0 IGAAHM O=c1c(CN2CCc3ccccc3C2)coc([O-])c1CN1CCN(c2ccccc2)CC1 ZINC000101408754 557284081 /nfs/dbraw/zinc/28/40/81/557284081.db2.gz NVMNFINBQQPFAD-UHFFFAOYSA-N -1 3 431.536 3.226 50 0 IGAAHM O=c1occ(CN2CCc3ccccc3C2)c([O-])c1CN1CCN(c2ccccc2)CC1 ZINC000101408754 557284083 /nfs/dbraw/zinc/28/40/83/557284083.db2.gz NVMNFINBQQPFAD-UHFFFAOYSA-N -1 3 431.536 3.226 50 0 IGAAHM Cc1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)Nc4ccccc4[O-])CC3)C2=O)cc1Cl ZINC000101490867 557288291 /nfs/dbraw/zinc/28/82/91/557288291.db2.gz UBUPOKBQSKCYTL-LJQANCHMSA-N -1 3 441.915 3.337 50 0 IGAAHM O=C([N-]n1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)c1ccccc1Br ZINC000011665750 557291410 /nfs/dbraw/zinc/29/14/10/557291410.db2.gz JSYCDYGKKUYYRI-UHFFFAOYSA-N -1 3 444.676 3.382 50 0 IGAAHM COc1ccccc1CC[N-]S(=O)(=O)[C@H]1CON(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000105049661 557473868 /nfs/dbraw/zinc/47/38/68/557473868.db2.gz OFYGUPLPQAKTTG-RBUKOAKNSA-N -1 3 444.475 3.163 50 0 IGAAHM CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCCC3=CCCCC3)c([O-])c2c1 ZINC000004003723 562940611 /nfs/dbraw/zinc/94/06/11/562940611.db2.gz PAGDHJCRLHBFAC-UHFFFAOYSA-N -1 3 431.558 3.179 50 0 IGAAHM Cc1cccc(Cn2nnc3c2nc(C2CCN(C(=O)c4ccc(F)cc4)CC2)[n-]c3=O)c1 ZINC000008612508 562959242 /nfs/dbraw/zinc/95/92/42/562959242.db2.gz XUNLXJZEBCWEKP-UHFFFAOYSA-N -1 3 446.486 3.030 50 0 IGAAHM O=c1cc(Cc2nnc(SCc3ccccc3)n2-c2ccc(Cl)cc2)[nH]c(=O)[n-]1 ZINC000009382093 562969721 /nfs/dbraw/zinc/96/97/21/562969721.db2.gz FCWDPPOYGWADER-UHFFFAOYSA-N -1 3 425.901 3.180 50 0 IGAAHM O=S(=O)([N-]C[C@H](c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1cccs1 ZINC000056896424 563142671 /nfs/dbraw/zinc/14/26/71/563142671.db2.gz APYVRWRPZHPAJR-HXUWFJFHSA-N -1 3 446.573 3.124 50 0 IGAAHM CCCN1CCN(c2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc2C(=O)[O-])CC1 ZINC000064580564 568934420 /nfs/dbraw/zinc/93/44/20/568934420.db2.gz WBTYBHJBTMPQDR-UHFFFAOYSA-N -1 3 431.558 3.334 50 0 IGAAHM CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(CCc4ccncc4)CC3)c2c1 ZINC000036358843 569085406 /nfs/dbraw/zinc/08/54/06/569085406.db2.gz NXMBMAHOQVRNIS-QHCPKHFHSA-N -1 3 449.555 3.143 50 0 IGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCN3C[C@H](C)C[C@H](C)C3)cc2)cc1 ZINC000036390951 569097649 /nfs/dbraw/zinc/09/76/49/569097649.db2.gz GDKGEMUZHSLXAT-HDICACEKSA-N -1 3 445.585 3.204 50 0 IGAAHM CCOC(=O)CC1(NC(=O)N2CCc3c(nc(-c4ccccc4)[n-]c3=O)C2)CCCCC1 ZINC000065260218 569124972 /nfs/dbraw/zinc/12/49/72/569124972.db2.gz DQGWAEDXKMUQIH-UHFFFAOYSA-N -1 3 438.528 3.161 50 0 IGAAHM CC(=O)Nc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000016890457 569165469 /nfs/dbraw/zinc/16/54/69/569165469.db2.gz PVDPTOQPNZRPLD-UHFFFAOYSA-N -1 3 434.481 3.210 50 0 IGAAHM Cc1ccc(C)c(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCc2cccc(F)c2)c1 ZINC000017026690 569171129 /nfs/dbraw/zinc/17/11/29/569171129.db2.gz GQNGTZNRZOORBX-UHFFFAOYSA-N -1 3 437.500 3.283 50 0 IGAAHM CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2CN2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1 ZINC000095467793 569371241 /nfs/dbraw/zinc/37/12/41/569371241.db2.gz TZVYXLHXCNFYOG-JOCHJYFZSA-N -1 3 445.523 3.063 50 0 IGAAHM COC(=O)C[C@@H](c1cnn(C)c1)c1oc(CSc2ccc(F)cc2F)cc(=O)c1[O-] ZINC000095479651 569373845 /nfs/dbraw/zinc/37/38/45/569373845.db2.gz GABXDQRPFIZPSQ-AWEZNQCLSA-N -1 3 436.436 3.344 50 0 IGAAHM COc1cc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCSCC2)cc(OC)c1O ZINC000096117111 569383890 /nfs/dbraw/zinc/38/38/90/569383890.db2.gz UBZJWJDLAPZMIT-QGZVFWFLSA-N -1 3 437.543 3.154 50 0 IGAAHM O=c1[n-]n(C2CCSCC2)c2c1[C@H](c1cc3ccccc3[nH]c1=O)SCC(=O)N2 ZINC000096116853 569383923 /nfs/dbraw/zinc/38/39/23/569383923.db2.gz MVCMRSVHDWRVEA-KRWDZBQOSA-N -1 3 428.539 3.273 50 0 IGAAHM O=c1[n-]n(C2CCSCC2)c2c1[C@@H](c1cc3ccccc3[nH]c1=O)SCC(=O)N2 ZINC000096116852 569383971 /nfs/dbraw/zinc/38/39/71/569383971.db2.gz MVCMRSVHDWRVEA-QGZVFWFLSA-N -1 3 428.539 3.273 50 0 IGAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2cc3ccccc3[nH]c2=O)CCO1 ZINC000096117902 569384234 /nfs/dbraw/zinc/38/42/34/569384234.db2.gz JVJXDWSPQNNGNE-FZKQIMNGSA-N -1 3 440.525 3.335 50 0 IGAAHM Cn1c(CCCNC(=O)COc2cc([O-])c3c(c2)OC(C)(C)CC3=O)nc2ccccc21 ZINC000096221432 569386861 /nfs/dbraw/zinc/38/68/61/569386861.db2.gz GZGWCPZGSOEXQD-UHFFFAOYSA-N -1 3 437.496 3.151 50 0 IGAAHM COc1cc([C@H]2c3c(=O)[n-]c(C)nc3Oc3c4ccccc4oc(=O)c32)ccc1OC(C)=O ZINC000096580743 569401688 /nfs/dbraw/zinc/40/16/88/569401688.db2.gz UZYCEGVABVJLEA-GOSISDBHSA-N -1 3 446.415 3.405 50 0 IGAAHM Cc1oc(-c2n[nH]cc2C(=O)N(C)C)cc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000097161506 569403301 /nfs/dbraw/zinc/40/33/01/569403301.db2.gz HIPYZPVURXORPM-UHFFFAOYSA-N -1 3 426.857 3.273 50 0 IGAAHM O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1)c1ccc[nH]1 ZINC000002640848 569413651 /nfs/dbraw/zinc/41/36/51/569413651.db2.gz WWRLLPZPNSRUQV-UHFFFAOYSA-N -1 3 432.885 3.186 50 0 IGAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)N2CCc4ccccc42)[n-]c3=O)cc1C ZINC000002718057 569418080 /nfs/dbraw/zinc/41/80/80/569418080.db2.gz JAWGEIFVMDSCAZ-UHFFFAOYSA-N -1 3 431.521 3.407 50 0 IGAAHM CN1CCc2c(sc3c2C(=O)N[C@H](c2ccc([O-])c(I)c2)N3)C1 ZINC000008836902 569478145 /nfs/dbraw/zinc/47/81/45/569478145.db2.gz AGNYPNLUNNXBIL-AWEZNQCLSA-N -1 3 441.294 3.475 50 0 IGAAHM O=C([O-])[C@@H](c1c[nH]c2ccccc21)N1CCN(CCNc2cc(=O)oc3ccccc23)CC1 ZINC000031812335 569457785 /nfs/dbraw/zinc/45/77/85/569457785.db2.gz NWHRXLNSMWTXKI-XMMPIXPASA-N -1 3 446.507 3.130 50 0 IGAAHM O=C([O-])[C@H](c1c[nH]c2ccccc21)N1CCN(CCNc2cc(=O)oc3ccccc23)CC1 ZINC000031812330 569457877 /nfs/dbraw/zinc/45/78/77/569457877.db2.gz NWHRXLNSMWTXKI-DEOSSOPVSA-N -1 3 446.507 3.130 50 0 IGAAHM O=C(Nc1ccccc1[O-])[C@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000032095332 569459818 /nfs/dbraw/zinc/45/98/18/569459818.db2.gz OHWRAKFXUARKBC-UGKGYDQZSA-N -1 3 443.503 3.111 50 0 IGAAHM COc1ccc(CCN2C(=O)N(C(C)C)[C@@H](N([O-])C(=O)NC(C)C)C2(C)C)cc1OC ZINC000008740310 569472764 /nfs/dbraw/zinc/47/27/64/569472764.db2.gz XNTHASYSJKNUEU-IBGZPJMESA-N -1 3 436.553 3.306 50 0 IGAAHM O=C([N-]N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc2ncsc2c1 ZINC000008862239 569480172 /nfs/dbraw/zinc/48/01/72/569480172.db2.gz QGNWDJSMEQKJGQ-UHFFFAOYSA-N -1 3 428.473 3.437 50 0 IGAAHM CCOc1ccc2nc([N-]C(=O)c3nc(S(=O)(=O)CC)ncc3Cl)sc2c1 ZINC000008867344 569480281 /nfs/dbraw/zinc/48/02/81/569480281.db2.gz FWFUMSQSPJZNJQ-UHFFFAOYSA-N -1 3 426.907 3.184 50 0 IGAAHM CCC(=O)Nc1ccc(Cl)c([N-]C(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)c1 ZINC000040145532 569492179 /nfs/dbraw/zinc/49/21/79/569492179.db2.gz SKJYYLIPRGCJSR-UHFFFAOYSA-N -1 3 425.894 3.318 50 0 IGAAHM COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c(O)nc([O-])n(-c2ccccc2Cl)c1=O ZINC000008994950 569495539 /nfs/dbraw/zinc/49/55/39/569495539.db2.gz YBWOHWXRSHFPLV-IBGZPJMESA-N -1 3 438.871 3.022 50 0 IGAAHM CC(=O)N1c2cc(S(=O)(=O)[N-]CCc3ccccc3)c(Br)cc2C[C@H]1C ZINC000040450661 569506430 /nfs/dbraw/zinc/50/64/30/569506430.db2.gz FXMVMPDQBBDXFJ-CYBMUJFWSA-N -1 3 437.359 3.268 50 0 IGAAHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1 ZINC000009170160 569509227 /nfs/dbraw/zinc/50/92/27/569509227.db2.gz YSZAUURYZYDPAW-UHFFFAOYSA-N -1 3 431.514 3.217 50 0 IGAAHM O=C(CC1CCCC1)N1CCC(c2nc3c(nnn3Cc3ccccc3F)c(=O)[n-]2)CC1 ZINC000009202314 569511211 /nfs/dbraw/zinc/51/12/11/569511211.db2.gz ZCVPBCBCIUFNGU-UHFFFAOYSA-N -1 3 438.507 3.401 50 0 IGAAHM O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2)s1 ZINC000009274174 569518175 /nfs/dbraw/zinc/51/81/75/569518175.db2.gz MKRLXKYUCATZOJ-UHFFFAOYSA-N -1 3 447.925 3.071 50 0 IGAAHM CC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000009310865 569521791 /nfs/dbraw/zinc/52/17/91/569521791.db2.gz HCFSDELSXXTONQ-SJLPKXTDSA-N -1 3 426.270 3.081 50 0 IGAAHM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000009526978 569544596 /nfs/dbraw/zinc/54/45/96/569544596.db2.gz HBVBBZKWMSWTQN-UHFFFAOYSA-N -1 3 445.360 3.180 50 0 IGAAHM O=C(OCc1nc(=O)c2c3c(sc2[n-]1)CCC3)C(O)(c1ccccc1)c1ccccc1 ZINC000009595638 569550730 /nfs/dbraw/zinc/55/07/30/569550730.db2.gz KZICUHHTIXWOEN-UHFFFAOYSA-N -1 3 432.501 3.453 50 0 IGAAHM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3F)cc3c2N1CC3 ZINC000009737875 569564879 /nfs/dbraw/zinc/56/48/79/569564879.db2.gz GMIXMONQKMIDMY-UHFFFAOYSA-N -1 3 425.279 3.224 50 0 IGAAHM O=S(=O)([N-]C[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1)c1cccs1 ZINC000009740672 569565137 /nfs/dbraw/zinc/56/51/37/569565137.db2.gz BANDJYNUKBNWSI-HNNXBMFYSA-N -1 3 431.944 3.488 50 0 IGAAHM CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(CC)CCO3)cc1 ZINC000009828223 569569790 /nfs/dbraw/zinc/56/97/90/569569790.db2.gz WQSYKOSPLLNYKF-UHFFFAOYSA-N -1 3 431.514 3.081 50 0 IGAAHM CCN(CC)C(=O)c1cnc2ccc(S(=O)(=O)Nc3ccc(F)cc3F)cc2c1[O-] ZINC000009833781 569570424 /nfs/dbraw/zinc/57/04/24/569570424.db2.gz HQBIWIPWFBKEJI-UHFFFAOYSA-N -1 3 435.452 3.089 50 0 IGAAHM CCOc1ccc(-c2ccc(OCC[N-]S(=O)(=O)c3ccc(F)cc3F)nn2)cc1 ZINC000009853064 569571522 /nfs/dbraw/zinc/57/15/22/569571522.db2.gz OVWUBCQLKUYWLT-UHFFFAOYSA-N -1 3 435.452 3.178 50 0 IGAAHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 ZINC000077100746 569585470 /nfs/dbraw/zinc/58/54/70/569585470.db2.gz KPUDUMRGRCNZDU-GJZGRUSLSA-N -1 3 438.527 3.373 50 0 IGAAHM Cc1ccccc1Cc1nc2c(c(=O)[n-]1)CN(S(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000016531386 569586730 /nfs/dbraw/zinc/58/67/30/569586730.db2.gz VKIUDNAKXOVAOH-UHFFFAOYSA-N -1 3 429.929 3.070 50 0 IGAAHM CCOc1ccc([C@H](c2sc3nc(CC)nn3c2[O-])N2CCC(C(=O)OC)CC2)cc1 ZINC000022853666 122389557 /nfs/dbraw/zinc/38/95/57/122389557.db2.gz ZIDUOSVTVFAQFT-GOSISDBHSA-N -1 3 444.557 3.432 50 0 IGAAHM Cc1cc(C)c(N2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CCN(C)C[C@@H]43)C2=O)c(C)c1 ZINC000008971932 132299191 /nfs/dbraw/zinc/29/91/91/132299191.db2.gz CWXZDUSVXLAMMQ-CJFMBICVSA-N -1 3 432.524 3.398 50 0 IGAAHM Cc1cccc(N2CCN(C(=O)COc3cc([O-])c4c(c3)OC(C)(C)CC4=O)CC2)c1C ZINC000009061267 132301724 /nfs/dbraw/zinc/30/17/24/132301724.db2.gz OFSZDDZXVCWCEW-UHFFFAOYSA-N -1 3 438.524 3.480 50 0 IGAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(S(=O)(=O)CC)CCC3)cc1C ZINC000012180662 521212062 /nfs/dbraw/zinc/21/20/62/521212062.db2.gz QOUBVQNQJIIONO-UHFFFAOYSA-N -1 3 438.571 3.297 50 0 IGAAHM COC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)ccc2Br)c1 ZINC000012556944 522247134 /nfs/dbraw/zinc/24/71/34/522247134.db2.gz WVFQRXQPELOKNE-CYBMUJFWSA-N -1 3 441.347 3.323 50 0 IGAAHM COC[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)ccc2Br)c1 ZINC000012556945 522622627 /nfs/dbraw/zinc/62/26/27/522622627.db2.gz WVFQRXQPELOKNE-ZDUSSCGKSA-N -1 3 441.347 3.323 50 0 IGAAHM COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCOc2ccccc2)cc(Cl)c1[O-] ZINC000012416468 522929747 /nfs/dbraw/zinc/92/97/47/522929747.db2.gz KCGJPQIGKYTZQW-SFHVURJKSA-N -1 3 432.860 3.304 50 0 biogenic,in-vitro IGAAHM COc1cc([C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OCCOc1ccccc1C ZINC000020895413 522932481 /nfs/dbraw/zinc/93/24/81/522932481.db2.gz AITKNXIUEFKASF-NRFANRHFSA-N -1 3 443.525 3.462 50 0 IGAAHM COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)[N-]C(=O)c1ccco1)CC2 ZINC000035292680 523042929 /nfs/dbraw/zinc/04/29/29/523042929.db2.gz SINBKLGVQDRJJA-NRFANRHFSA-N -1 3 426.494 3.262 50 0 IGAAHM COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)[N-]C(=O)c1ccco1)CC2 ZINC000035292679 523052236 /nfs/dbraw/zinc/05/22/36/523052236.db2.gz SINBKLGVQDRJJA-OAQYLSRUSA-N -1 3 426.494 3.262 50 0 IGAAHM COc1ccc(C(=O)Nc2ncccc2[O-])cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000022263248 523764986 /nfs/dbraw/zinc/76/49/86/523764986.db2.gz OLGRDQIRHVNISB-UHFFFAOYSA-N -1 3 439.493 3.190 50 0 IGAAHM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OC[C@H](C(=O)N2CCCCC2)O3)cc1 ZINC000020989672 523996147 /nfs/dbraw/zinc/99/61/47/523996147.db2.gz XYIPQEWOXCFQSI-OAQYLSRUSA-N -1 3 430.526 3.202 50 0 IGAAHM Cc1ccc(C)c(Cn2nnc3c2nc([C@H]2CCCN(C(=O)CC4CCCC4)C2)[n-]c3=O)c1 ZINC000021178058 524113756 /nfs/dbraw/zinc/11/37/56/524113756.db2.gz RHORCHUVVQCQDK-IBGZPJMESA-N -1 3 448.571 3.466 50 0 IGAAHM Cc1cccc(C)c1-n1nnnc1S[C@@H](C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000012548496 524245413 /nfs/dbraw/zinc/24/54/13/524245413.db2.gz JGDWHUBEVPPAID-AWEZNQCLSA-N -1 3 431.543 3.014 50 0 IGAAHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)cc1 ZINC000021209864 525219743 /nfs/dbraw/zinc/21/97/43/525219743.db2.gz GSNHCDAYXNVQFX-UHFFFAOYSA-N -1 3 428.470 3.225 50 0 IGAAHM COc1ccc([C@H](NC(=O)CC[N-]S(=O)(=O)c2cccs2)c2ccccc2)cc1 ZINC000012676283 525365104 /nfs/dbraw/zinc/36/51/04/525365104.db2.gz HMMBJPZPOPOZPY-OAQYLSRUSA-N -1 3 430.551 3.331 50 0 IGAAHM C[C@@H](Sc1nnc(CCC(N)=O)n1C)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000012850429 526010412 /nfs/dbraw/zinc/01/04/12/526010412.db2.gz MDOKKCOLXOIQHQ-SECBINFHSA-N -1 3 446.583 3.113 50 0 IGAAHM Cc1cc(-c2csc([N-]C(=O)c3nc4nccc(C)n4n3)n2)c(C)n1C[C@@H]1CCCO1 ZINC000012798672 526050659 /nfs/dbraw/zinc/05/06/59/526050659.db2.gz GOUKBHQFEQFQTH-HNNXBMFYSA-N -1 3 437.529 3.406 50 0 IGAAHM O=C(c1nc(-c2csc(S(=O)(=O)[N-]CCC3=CCCCC3)c2)no1)N1CCCC1 ZINC000035527555 526915777 /nfs/dbraw/zinc/91/57/77/526915777.db2.gz RURAVWDOMHLGOI-UHFFFAOYSA-N -1 3 436.559 3.203 50 0 IGAAHM Cc1nccn1-c1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccncc3)cc2)cn1 ZINC000069508591 527376730 /nfs/dbraw/zinc/37/67/30/527376730.db2.gz BHQMCKRFNBYUJD-UHFFFAOYSA-N -1 3 434.481 3.024 50 0 IGAAHM O=C([N-]c1nnc(SCc2nnc(-c3ccc4c(c3)OCO4)o2)s1)c1ccco1 ZINC000021359315 527535812 /nfs/dbraw/zinc/53/58/12/527535812.db2.gz SBFRPEHSRSKBDB-UHFFFAOYSA-N -1 3 429.439 3.454 50 0 IGAAHM Cn1c2ccccc2c2nnc(SCC(=O)[N-]C3=NN=C(c4ccccc4)CS3)nc21 ZINC000001122273 555638525 /nfs/dbraw/zinc/63/85/25/555638525.db2.gz URQKMDCSNHEODB-UHFFFAOYSA-N -1 3 447.549 3.232 50 0 IGAAHM CCCN1C=C(C(=O)OC)C(c2cc(Br)c([O-])c(OC)c2)C(C(=O)OC)=C1 ZINC000001140913 555650033 /nfs/dbraw/zinc/65/00/33/555650033.db2.gz GFRAEFZMDWFYFZ-UHFFFAOYSA-N -1 3 440.290 3.086 50 0 IGAAHM COc1cc([C@@H]2c3c(ccc4ccccc43)Nc3[nH]c(=O)[n-]c(=O)c32)cc(OC)c1OC ZINC000012418736 556404303 /nfs/dbraw/zinc/40/43/03/556404303.db2.gz JZLFLEYOGORZJJ-GOSISDBHSA-N -1 3 431.448 3.479 50 0 IGAAHM CCOc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000072276957 556457083 /nfs/dbraw/zinc/45/70/83/556457083.db2.gz NXZYUTQEQFNRJV-GOSISDBHSA-N -1 3 433.921 3.445 50 0 IGAAHM CCOc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000072276957 556457085 /nfs/dbraw/zinc/45/70/85/556457085.db2.gz NXZYUTQEQFNRJV-GOSISDBHSA-N -1 3 433.921 3.445 50 0 IGAAHM COCCn1c2ccccc2nc1S[C@H](C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000015497638 556531270 /nfs/dbraw/zinc/53/12/70/556531270.db2.gz HHWVOEYOOXWNCH-CQSZACIVSA-N -1 3 433.555 3.418 50 0 IGAAHM COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000072305329 556550607 /nfs/dbraw/zinc/55/06/07/556550607.db2.gz LFJPARBDSWGTJK-FXAWDEMLSA-N -1 3 435.528 3.053 50 0 IGAAHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H]2COc3ccccc3O2)ccc1Cl ZINC000019316624 556735856 /nfs/dbraw/zinc/73/58/56/556735856.db2.gz GFLWHWQZVMJJLK-AWEZNQCLSA-N -1 3 439.917 3.414 50 0 IGAAHM COc1ccc(-c2ccc(=O)n(CCC[N-]S(=O)(=O)c3ccc(Cl)s3)n2)cc1 ZINC000013798579 556741634 /nfs/dbraw/zinc/74/16/34/556741634.db2.gz DTCBQAPIMCBZPO-UHFFFAOYSA-N -1 3 439.946 3.002 50 0 IGAAHM Cc1cc(Cl)ccc1OCC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011227938 556875883 /nfs/dbraw/zinc/87/58/83/556875883.db2.gz LTBZOYDEWKDXCW-UHFFFAOYSA-N -1 3 428.963 3.058 50 0 IGAAHM COc1ccc2c(CC(=O)N3CCC([N-]S(=O)(=O)c4cccs4)CC3)coc2c1 ZINC000011228215 556876015 /nfs/dbraw/zinc/87/60/15/556876015.db2.gz OJTPYSVLSNJGLE-UHFFFAOYSA-N -1 3 434.539 3.015 50 0 IGAAHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccc(NC(=O)C2CC2)cc1 ZINC000010670584 556918662 /nfs/dbraw/zinc/91/86/62/556918662.db2.gz UCNRXGFEBAKVIW-UHFFFAOYSA-N -1 3 439.331 3.285 50 0 IGAAHM CCOC(=O)c1c2cc([O-])c(Br)cc2n(C)c1CNCCN(CC)CC ZINC000019830743 556926270 /nfs/dbraw/zinc/92/62/70/556926270.db2.gz NCLRCXZZFYEXIV-UHFFFAOYSA-N -1 3 426.355 3.255 50 0 IGAAHM CC(NC1CCN(Cc2ccccc2)CC1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000020266752 557004682 /nfs/dbraw/zinc/00/46/82/557004682.db2.gz NWDLYQODKCVIMK-RELWKKBWSA-N -1 3 432.524 3.106 50 0 IGAAHM O=c1cc(Cc2nnc(SCc3cccc(Cl)c3)n2-c2ccccc2)[nH]c(=O)[n-]1 ZINC000017192668 557037177 /nfs/dbraw/zinc/03/71/77/557037177.db2.gz PCSQGMZYTXPSFF-UHFFFAOYSA-N -1 3 425.901 3.180 50 0 IGAAHM CCCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(OCC)cc3)ccc21 ZINC000017287008 557045358 /nfs/dbraw/zinc/04/53/58/557045358.db2.gz OGAKNLBKTONIQM-UHFFFAOYSA-N -1 3 438.571 3.379 50 0 IGAAHM O=C(NC1CC1)[C@@H](Sc1nc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C1CC1)c1ccccc1 ZINC000023563132 557099110 /nfs/dbraw/zinc/09/91/10/557099110.db2.gz KCJUHVYSYNGEKA-KRWDZBQOSA-N -1 3 449.536 3.216 50 0 IGAAHM O=C(COc1ccc(Cl)cc1Cl)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011450488 557149002 /nfs/dbraw/zinc/14/90/02/557149002.db2.gz VOYIMPMTQSBLRH-UHFFFAOYSA-N 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CCN(CC)C(=O)c1ccc(NC(=O)[C@@H]([N-]S(=O)(=O)c2cccs2)C(C)C)cc1 ZINC000024985903 557828858 /nfs/dbraw/zinc/82/88/58/557828858.db2.gz STKJQAJEZTZRTN-SFHVURJKSA-N -1 3 437.587 3.172 50 0 IGAAHM O=C(c1ccccc1Cl)N1CCC(c2nc3c(nnn3Cc3ccco3)c(=O)[n-]2)CC1 ZINC000013119832 562984647 /nfs/dbraw/zinc/98/46/47/562984647.db2.gz QTCBRBRDAPIOIP-UHFFFAOYSA-N -1 3 438.875 3.241 50 0 IGAAHM COc1cn(-c2ccccc2)nc1C(=O)[N-]c1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000018948655 568629010 /nfs/dbraw/zinc/62/90/10/568629010.db2.gz DDURHAKKSBSZTK-UHFFFAOYSA-N -1 3 446.463 3.352 50 0 IGAAHM COc1cc([C@H]2C(C(=O)OCC(C)C)C(C)=Nc3ncnn32)cc(Br)c1[O-] ZINC000000959073 568646340 /nfs/dbraw/zinc/64/63/40/568646340.db2.gz PDWFTXPUUKSIBM-HNNXBMFYSA-N -1 3 437.294 3.243 50 0 IGAAHM Cc1oc(-c2ccccc2[N-]S(=O)(=O)N(C)C)nc1CNC(=O)CCc1cccs1 ZINC000299792353 568757757 /nfs/dbraw/zinc/75/77/57/568757757.db2.gz FJTVRPIWDYKBDY-UHFFFAOYSA-N -1 3 448.570 3.179 50 0 IGAAHM COc1ccc([C@@H]2C(C(C)=O)=C([O-])C(=O)N2c2ccc(Br)cn2)cc1OC ZINC000001413154 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556336589 /nfs/dbraw/zinc/33/65/89/556336589.db2.gz DQPJFMDIZSEJSV-CQSZACIVSA-N -1 3 435.509 3.327 50 0 IGAAHM COc1ccccc1OCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000014200382 556390879 /nfs/dbraw/zinc/39/08/79/556390879.db2.gz IJYZYXIZCHCWJI-UHFFFAOYSA-N -1 3 444.484 3.444 50 0 IGAAHM C[C@@H](OC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032672053 556414788 /nfs/dbraw/zinc/41/47/88/556414788.db2.gz URSYOYIEQAWLQP-QRWLVFNGSA-N -1 3 447.509 3.044 50 0 IGAAHM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)[C@@H]1COc2ccccc2O1 ZINC000032678539 556415994 /nfs/dbraw/zinc/41/59/94/556415994.db2.gz KWKQOJAWNVUEPO-FQEVSTJZSA-N -1 3 428.441 3.405 50 0 IGAAHM CC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1c1cn(-c2ccccc2)nc1C ZINC000011027275 556444342 /nfs/dbraw/zinc/44/43/42/556444342.db2.gz KQNCLIDYFPNJGF-JOCHJYFZSA-N -1 3 437.525 3.250 50 0 IGAAHM CN(Cc1nccn1C(F)F)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000029181280 556469300 /nfs/dbraw/zinc/46/93/00/556469300.db2.gz 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O=C(c1ccccc1Br)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011227803 556876573 /nfs/dbraw/zinc/87/65/73/556876573.db2.gz YMNRKQDNKNIXMD-UHFFFAOYSA-N -1 3 429.361 3.094 50 0 IGAAHM Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000048289577 557054682 /nfs/dbraw/zinc/05/46/82/557054682.db2.gz QMVDVQGDGKTVEL-UHFFFAOYSA-N -1 3 440.931 3.245 50 0 IGAAHM COc1ccc(Cl)c2c(=O)c3c([n-]c12)CCN(CC(=O)NCc1ccccc1F)C3 ZINC000049003212 557091129 /nfs/dbraw/zinc/09/11/29/557091129.db2.gz QVOGLEUTPPTUCB-UHFFFAOYSA-N -1 3 429.879 3.416 50 0 IGAAHM CSCC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)NC(C)C ZINC000023982575 557129397 /nfs/dbraw/zinc/12/93/97/557129397.db2.gz LVFMMKYQPNYNLT-LBPRGKRZSA-N -1 3 432.917 3.283 50 0 IGAAHM CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000018119369 557238224 /nfs/dbraw/zinc/23/82/24/557238224.db2.gz NOZYYINCPMRNJH-DOTOQJQBSA-N -1 3 432.263 3.291 50 0 IGAAHM COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4C(=O)[O-])[C@@H]3C2=O)cc1 ZINC000102760633 557385157 /nfs/dbraw/zinc/38/51/57/557385157.db2.gz IJYVDSXEAORJEH-FDFHNCONSA-N -1 3 444.443 3.445 50 0 IGAAHM CC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000100563805 557454197 /nfs/dbraw/zinc/45/41/97/557454197.db2.gz SCWKJNHVCPSDBA-SJLPKXTDSA-N -1 3 426.270 3.081 50 0 IGAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccc(F)c(F)c1)Nc1cccc(F)c1 ZINC000051316797 557465887 /nfs/dbraw/zinc/46/58/87/557465887.db2.gz HCTQKRZTARTQEN-UHFFFAOYSA-N -1 3 431.399 3.257 50 0 IGAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccc(F)c(F)c1)Nc1cccc(F)c1 ZINC000051316797 557465890 /nfs/dbraw/zinc/46/58/90/557465890.db2.gz HCTQKRZTARTQEN-UHFFFAOYSA-N -1 3 431.399 3.257 50 0 IGAAHM COc1ccccc1CNC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1ccco1 ZINC000002938669 562930877 /nfs/dbraw/zinc/93/08/77/562930877.db2.gz VCLUAHWCSHSXTB-LJQANCHMSA-N -1 3 428.510 3.323 50 0 IGAAHM CSCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccco1 ZINC000003447239 568749618 /nfs/dbraw/zinc/74/96/18/568749618.db2.gz JBSPZNQEPMKRCC-OAHLLOKOSA-N -1 3 437.370 3.303 50 0 IGAAHM COc1cc(OC)cc(C(=O)[N-]n2cc(C(=O)N3CCCCCC3)c3ccccc3c2=O)c1 ZINC000004757310 568791182 /nfs/dbraw/zinc/79/11/82/568791182.db2.gz CHWYBEDNVOTOIG-UHFFFAOYSA-N -1 3 449.507 3.419 50 0 IGAAHM COc1cc(Cl)c([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2C)c(OC)c1 ZINC000015669339 568801954 /nfs/dbraw/zinc/80/19/54/568801954.db2.gz ONBUDVHYFQXTKB-UHFFFAOYSA-N -1 3 435.889 3.217 50 0 IGAAHM CCCCn1nc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)ccc1=O ZINC000032497702 568811408 /nfs/dbraw/zinc/81/14/08/568811408.db2.gz XHFHFKYIRHCWAN-UHFFFAOYSA-N -1 3 444.488 3.236 50 0 IGAAHM Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)n1nc(Nc2ccccc2)cc1Nc1ccccc1 ZINC000575442928 568867843 /nfs/dbraw/zinc/86/78/43/568867843.db2.gz KEKAMTHWHXSQIO-UHFFFAOYSA-N -1 3 438.469 3.117 50 0 IGAAHM CCCCNC(=O)c1cnc2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2c1[O-] ZINC000006296485 568882362 /nfs/dbraw/zinc/88/23/62/568882362.db2.gz KURJCOYZOSBKBC-UHFFFAOYSA-N -1 3 427.526 3.273 50 0 IGAAHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccc2c(c1)CCO2 ZINC000090607262 568889860 /nfs/dbraw/zinc/88/98/60/568889860.db2.gz HMNJQGVMHFHNGQ-ZDUSSCGKSA-N -1 3 431.377 3.027 50 0 IGAAHM CCc1nc(Cn2c3ccc(S(=O)(=O)[N-]c4ccc(C)cc4Cl)cc3oc2=O)no1 ZINC000064946891 568993910 /nfs/dbraw/zinc/99/39/10/568993910.db2.gz LPDRFFVVALAZLZ-UHFFFAOYSA-N -1 3 448.888 3.351 50 0 IGAAHM COc1ccc(-c2nc3c(c(=O)[n-]2)CCN(C(=O)c2cc(Cl)ccc2OC)C3)cc1 ZINC000065260284 569124105 /nfs/dbraw/zinc/12/41/05/569124105.db2.gz BMEMYBOHWVHIRZ-UHFFFAOYSA-N -1 3 425.872 3.306 50 0 IGAAHM Cc1ccc(C)c(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCc2ccccc2F)c1 ZINC000017026696 569171083 /nfs/dbraw/zinc/17/10/83/569171083.db2.gz SVUNFTDLWOIONU-UHFFFAOYSA-N -1 3 437.500 3.283 50 0 IGAAHM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1cc(OC)ccc1OC)c1ccccc1Cl ZINC000020156294 569353717 /nfs/dbraw/zinc/35/37/17/569353717.db2.gz FPWIYFHDDXPGNT-INIZCTEOSA-N -1 3 427.906 3.330 50 0 IGAAHM COC(=O)C[C@H](c1ccnn1C)c1oc(CSc2ccccc2OC)cc(=O)c1[O-] ZINC000095478351 569373520 /nfs/dbraw/zinc/37/35/20/569373520.db2.gz WQHRWORMPYOHLB-CQSZACIVSA-N -1 3 430.482 3.075 50 0 IGAAHM O=C(Nn1cnnc1)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000003199576 569441634 /nfs/dbraw/zinc/44/16/34/569441634.db2.gz LQPCKWAFVFOZSV-UHFFFAOYSA-N -1 3 445.810 3.135 50 0 IGAAHM CCC[NH+]1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000058009309 569444680 /nfs/dbraw/zinc/44/46/80/569444680.db2.gz SPNSQXKQYIIGKU-UHFFFAOYSA-N -1 3 431.558 3.334 50 0 IGAAHM CCN1CCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000058009354 569444685 /nfs/dbraw/zinc/44/46/85/569444685.db2.gz BZIXGVNZRPKNLA-UHFFFAOYSA-N -1 3 431.558 3.253 50 0 IGAAHM COc1ccccc1CN1CCc2nc(SCC(=O)NC3CCCCC3)[n-]c(=O)c2C1 ZINC000067291230 569467657 /nfs/dbraw/zinc/46/76/57/569467657.db2.gz AJHVMDIVXSEHJM-UHFFFAOYSA-N -1 3 442.585 3.290 50 0 IGAAHM CCOC(=O)c1csc(N2N=C(c3ccc(OC)cc3OC)C[C@@]2([O-])C(F)(F)F)n1 ZINC000008753822 569473755 /nfs/dbraw/zinc/47/37/55/569473755.db2.gz NCRHXROTJHHNDS-QGZVFWFLSA-N -1 3 445.419 3.202 50 0 IGAAHM CCOC(=O)Cc1ccc(-c2csc([N-]C(=O)c3nc4nc(C)cc(C)n4n3)n2)cc1 ZINC000040074463 569486291 /nfs/dbraw/zinc/48/62/91/569486291.db2.gz NZZPVFWMUICENR-UHFFFAOYSA-N -1 3 436.497 3.223 50 0 IGAAHM CCN(CC)C(=O)c1ccc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1 ZINC000040152792 569493523 /nfs/dbraw/zinc/49/35/23/569493523.db2.gz SQGWOQKQCQVWHU-UHFFFAOYSA-N -1 3 447.557 3.336 50 0 IGAAHM Cc1oncc1C(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000040155180 569493877 /nfs/dbraw/zinc/49/38/77/569493877.db2.gz JCZMRRYIFQFFOY-UHFFFAOYSA-N -1 3 449.872 3.461 50 0 IGAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009114005 569502594 /nfs/dbraw/zinc/50/25/94/569502594.db2.gz GJBGETXSRKGPSH-UHFFFAOYSA-N -1 3 434.568 3.293 50 0 IGAAHM Cc1nnc(S[C@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)n1Cc1ccccc1 ZINC000009126906 569505059 /nfs/dbraw/zinc/50/50/59/569505059.db2.gz UORNOEOXADLUEL-CQSZACIVSA-N -1 3 430.555 3.370 50 0 IGAAHM CC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]CCc3cccc(C)c3)cc21 ZINC000040454609 569506467 /nfs/dbraw/zinc/50/64/67/569506467.db2.gz VRFIHVFTVRJPNL-UHFFFAOYSA-N -1 3 437.359 3.188 50 0 IGAAHM COC(=O)c1ccc(COC(=O)[C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000009466466 569538181 /nfs/dbraw/zinc/53/81/81/569538181.db2.gz IIADNWQTHDPUJI-LLVKDONJSA-N -1 3 446.308 3.190 50 0 IGAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000009683010 569560324 /nfs/dbraw/zinc/56/03/24/569560324.db2.gz RZEHNRKFMPYXKA-HXUWFJFHSA-N -1 3 437.546 3.377 50 0 IGAAHM C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000009692545 569561115 /nfs/dbraw/zinc/56/11/15/569561115.db2.gz ANVOZVAEHONJAH-SIXWZSSISA-N -1 3 444.582 3.406 50 0 IGAAHM O=S(=O)([N-]C[C@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1)c1cccs1 ZINC000009740667 569565160 /nfs/dbraw/zinc/56/51/60/569565160.db2.gz BANDJYNUKBNWSI-OAHLLOKOSA-N -1 3 431.944 3.488 50 0 IGAAHM CCOc1ccc(-c2ccc(OCC[N-]S(=O)(=O)c3cc(F)ccc3OC)nn2)cc1 ZINC000009853006 569571502 /nfs/dbraw/zinc/57/15/02/569571502.db2.gz HNESFABLAJTXRO-UHFFFAOYSA-N -1 3 447.488 3.047 50 0 IGAAHM COc1ccc(OCCCC(=O)O[C@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000009956859 569574810 /nfs/dbraw/zinc/57/48/10/569574810.db2.gz LOBVKGFKMOLPRN-OAHLLOKOSA-N -1 3 435.498 3.040 50 0 IGAAHM O=S(=O)([N-]c1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(Br)cc1 ZINC000010213427 132243590 /nfs/dbraw/zinc/24/35/90/132243590.db2.gz AHJSLJFUZXSIJH-UHFFFAOYSA-N -1 3 445.360 3.180 50 0 IGAAHM CCOC(=O)[C@H]1CCCN([C@H](c2sc3nc(CC)nn3c2[O-])c2cccc(OC)c2)C1 ZINC000022853423 521300711 /nfs/dbraw/zinc/30/07/11/521300711.db2.gz CRAKOLVKNRAHQG-YJBOKZPZSA-N -1 3 444.557 3.432 50 0 IGAAHM COC(=O)c1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000012380796 522115443 /nfs/dbraw/zinc/11/54/43/522115443.db2.gz QOZGJWSLLOMPKT-JTQLQIEISA-N -1 3 431.297 3.086 50 0 IGAAHM COc1cc(NC(=O)CN2CCC(C(=O)Nc3ccccc3[O-])CC2)c(OC)cc1Cl ZINC000012765337 522657366 /nfs/dbraw/zinc/65/73/66/522657366.db2.gz NXGSOQVZGPDEAD-UHFFFAOYSA-N -1 3 447.919 3.352 50 0 IGAAHM CN(CCNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)c1ccccc1 ZINC000012595401 522859550 /nfs/dbraw/zinc/85/95/50/522859550.db2.gz WTHZIWILVGLBGQ-UHFFFAOYSA-N -1 3 442.368 3.300 50 0 IGAAHM COc1cc([C@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OC(=O)c1ccccc1F ZINC000020895767 522967939 /nfs/dbraw/zinc/96/79/39/522967939.db2.gz MBPFCACGSUCDII-GOSISDBHSA-N -1 3 431.445 3.055 50 0 IGAAHM Cc1cccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCc2ccc(Cl)cc2)c1 ZINC000017135597 524137231 /nfs/dbraw/zinc/13/72/31/524137231.db2.gz RNVWZHQPDIAYTP-UHFFFAOYSA-N -1 3 439.928 3.489 50 0 IGAAHM C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C[C@H](C)O1 ZINC000012507848 524890774 /nfs/dbraw/zinc/89/07/74/524890774.db2.gz QKNAGGMBPGKZIT-HDICACEKSA-N -1 3 445.585 3.105 50 0 IGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(CN3CCN(c4ccccn4)CC3)cc2)cc1 ZINC000035598040 525079603 /nfs/dbraw/zinc/07/96/03/525079603.db2.gz QAIUKMGMSCRGKN-UHFFFAOYSA-N -1 3 438.553 3.213 50 0 IGAAHM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC3CCN(C4CC4)CC3)ccc2C)cc1 ZINC000012584951 525296378 /nfs/dbraw/zinc/29/63/78/525296378.db2.gz QUAQNWUXBFQPDW-UHFFFAOYSA-N -1 3 427.570 3.461 50 0 IGAAHM Cc1c(Cl)cccc1N1C(=O)C[C@H](N2CCC(C(=O)Nc3ccccc3[O-])CC2)C1=O ZINC000012907408 525760159 /nfs/dbraw/zinc/76/01/59/525760159.db2.gz IKEPVGAGSGLSGO-IBGZPJMESA-N -1 3 441.915 3.337 50 0 IGAAHM Cc1csc2nc(CSc3nc(-c4ccc(C)cc4)nc4cc(=O)[n-]n43)cc(=O)n12 ZINC000021537183 526456628 /nfs/dbraw/zinc/45/66/28/526456628.db2.gz UBHZCHBHBKTTFJ-UHFFFAOYSA-N -1 3 436.522 3.063 50 0 IGAAHM Cc1nc(Nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc(N2CCOCC2)n1 ZINC000033318496 527004400 /nfs/dbraw/zinc/00/44/00/527004400.db2.gz TUZJVHKPGHQVKU-UHFFFAOYSA-N -1 3 443.504 3.305 50 0 IGAAHM O=C(Nc1ncccc1[O-])c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 ZINC000022265071 527521249 /nfs/dbraw/zinc/52/12/49/527521249.db2.gz BOGXXOLUIBONPS-UHFFFAOYSA-N -1 3 444.557 3.204 50 0 IGAAHM CCN1C(=O)N[C@H](c2cc(Br)c([O-])c(OC)c2)C(C(=O)OC(C)C)=C1C ZINC000000844279 555568737 /nfs/dbraw/zinc/56/87/37/555568737.db2.gz HHRAUDJHICQYBU-OAHLLOKOSA-N -1 3 427.295 3.475 50 0 biogenic,in-vitro IGAAHM COc1ccccc1CC[N-]S(=O)(=O)[C@@H]1CON(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000034738667 555889391 /nfs/dbraw/zinc/88/93/91/555889391.db2.gz OFYGUPLPQAKTTG-MOPGFXCFSA-N -1 3 444.475 3.163 50 0 IGAAHM O=C(CSc1nc2c(cnn2-c2ccc(F)cc2)c(=O)[n-]1)Nc1ccc2c(c1)OCO2 ZINC000002717987 556131296 /nfs/dbraw/zinc/13/12/96/556131296.db2.gz QSVPMQCLQWCPQX-UHFFFAOYSA-N -1 3 439.428 3.120 50 0 IGAAHM CCn1c(CSc2n[n-]c(-c3cccs3)n2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000008746412 556209702 /nfs/dbraw/zinc/20/97/02/556209702.db2.gz PHGZSKNUMQKXSM-UHFFFAOYSA-N -1 3 448.599 3.445 50 0 IGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1ccccc1N(Cc1ccccc1Cl)C2=O ZINC000008843678 556226487 /nfs/dbraw/zinc/22/64/87/556226487.db2.gz QGEBJVOXYOPVIR-FQEVSTJZSA-N -1 3 428.901 3.042 50 0 IGAAHM CCn1c(SCC(=O)Nc2nnc(C(F)(F)F)s2)nnc1-c1ccccc1[O-] ZINC000009236642 556264126 /nfs/dbraw/zinc/26/41/26/556264126.db2.gz YAYGDZKMJSFOOV-UHFFFAOYSA-N -1 3 430.437 3.272 50 0 IGAAHM C[C@H](OC(=O)C1=Cc2cc(Cl)ccc2OC1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032829591 556416164 /nfs/dbraw/zinc/41/61/64/556416164.db2.gz JCDCTAVDPKUYKH-LBPRGKRZSA-N -1 3 435.885 3.302 50 0 IGAAHM CCOC(=O)C1=C(C)N(CC)C(=O)N[C@@H]1c1cc(Br)c([O-])c(OCC)c1 ZINC000015016951 556486576 /nfs/dbraw/zinc/48/65/76/556486576.db2.gz GVAXPGIUTYSYBN-OAHLLOKOSA-N -1 3 427.295 3.477 50 0 IGAAHM C[C@@H](OC(=O)c1cccc(OC[C@H]2CCCO2)c1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032903534 556539958 /nfs/dbraw/zinc/53/99/58/556539958.db2.gz LEEPNTMXPYRECB-FOIQADDNSA-N -1 3 447.509 3.044 50 0 IGAAHM C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011719695 556644668 /nfs/dbraw/zinc/64/46/68/556644668.db2.gz AXWGMPAKKFMYTI-LBPRGKRZSA-N -1 3 445.969 3.311 50 0 IGAAHM Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011720050 556644936 /nfs/dbraw/zinc/64/49/36/556644936.db2.gz LHMVFVGUHHNVEX-CQSZACIVSA-N -1 3 442.006 3.480 50 0 IGAAHM COc1ccc(OC)c(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC000016944321 556649667 /nfs/dbraw/zinc/64/96/67/556649667.db2.gz CKQBHNIHVUYVLV-UHFFFAOYSA-N -1 3 437.481 3.269 50 0 IGAAHM CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000100737718 556659152 /nfs/dbraw/zinc/65/91/52/556659152.db2.gz SKGVCCIEXDDZRR-DOTOQJQBSA-N -1 3 432.263 3.291 50 0 IGAAHM Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)[N-]c1ccccc1C(C)C ZINC000011858128 556663260 /nfs/dbraw/zinc/66/32/60/556663260.db2.gz KIZCCCWFUFRKTI-UHFFFAOYSA-N -1 3 436.555 3.294 50 0 IGAAHM COc1ccc([N-]S(=O)(=O)c2cc(-c3nn(C)c(=O)c4c3CCCC4)ccc2C)cc1 ZINC000044803296 556667871 /nfs/dbraw/zinc/66/78/71/556667871.db2.gz ACPVMFOAFOYLLC-UHFFFAOYSA-N -1 3 439.537 3.444 50 0 IGAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)CC)[C@H](c2ccc(C)cc2)C1 ZINC000072314493 556701735 /nfs/dbraw/zinc/70/17/35/556701735.db2.gz NSWWJHOGXJLQNH-FQEVSTJZSA-N -1 3 435.571 3.257 50 0 IGAAHM CS(=O)(=O)c1ccccc1C(=O)[N-]c1nnc(-c2ccc(Br)s2)o1 ZINC000013667253 556709217 /nfs/dbraw/zinc/70/92/17/556709217.db2.gz NNMMRUVRUZRRQB-UHFFFAOYSA-N -1 3 428.289 3.216 50 0 IGAAHM CCOC(=O)[C@@]([N-]c1nc2ccccc2nc1C(F)(F)F)(NC(=O)CC)C(F)(F)F ZINC000005223615 556744078 /nfs/dbraw/zinc/74/40/78/556744078.db2.gz VPLLKYPORSZZIQ-HNNXBMFYSA-N -1 3 438.328 3.408 50 0 IGAAHM COCCNC(=O)c1ccc(OCc2nnc(C(=O)[N-]c3ccc(F)c(F)c3)s2)cc1 ZINC000033114355 556861270 /nfs/dbraw/zinc/86/12/70/556861270.db2.gz SVZPLUBCLHZUJK-UHFFFAOYSA-N -1 3 448.451 3.024 50 0 IGAAHM CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(Br)cc1C)CC(=O)N2 ZINC000046073965 557030170 /nfs/dbraw/zinc/03/01/70/557030170.db2.gz PEHRUGNQDHZLIS-JTQLQIEISA-N -1 3 437.319 3.017 50 0 IGAAHM Cc1ccccc1NC(=O)C1CC(=O)Nc2nc(SCCc3ccccc3)[n-]c(=O)c21 ZINC000046074288 557030196 /nfs/dbraw/zinc/03/01/96/557030196.db2.gz YQUGGKKTQNCUPC-MRXNPFEDSA-N -1 3 434.521 3.478 50 0 IGAAHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(SCCc4ccccc4)[n-]c(=O)c32)cc1 ZINC000046074302 557030335 /nfs/dbraw/zinc/03/03/35/557030335.db2.gz WPDVRUPJKNZUHT-KRWDZBQOSA-N -1 3 434.521 3.478 50 0 IGAAHM CCOc1ccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCc2cccc(C)c2)cc1 ZINC000017315281 557053150 /nfs/dbraw/zinc/05/31/50/557053150.db2.gz DAUFLEKHQAENTL-UHFFFAOYSA-N -1 3 449.536 3.234 50 0 IGAAHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000017960067 557130554 /nfs/dbraw/zinc/13/05/54/557130554.db2.gz BISKLIYZPYGIOZ-UHFFFAOYSA-N -1 3 435.596 3.432 50 0 IGAAHM CCOC(=O)[C@]([O-])(c1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1)C(F)(F)F ZINC000003158282 557168187 /nfs/dbraw/zinc/16/81/87/557168187.db2.gz CLMXYXFIHZKJIG-GOSISDBHSA-N -1 3 431.432 3.215 50 0 IGAAHM COc1ccc([C@H]2CCCCCN2C(=O)CC[N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000024987991 557186748 /nfs/dbraw/zinc/18/67/48/557186748.db2.gz WXQZWEXSFJYNHF-LJQANCHMSA-N -1 3 435.546 3.112 50 0 IGAAHM C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NCC1(c2ccccc2)CC1 ZINC000025324972 557203847 /nfs/dbraw/zinc/20/38/47/557203847.db2.gz GZKUVKYAKBDONI-AWEZNQCLSA-N -1 3 426.460 3.220 50 0 IGAAHM C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)[N-]c3nnc(-c4cccnc4)o3)cc2)C1 ZINC000011612167 557230124 /nfs/dbraw/zinc/23/01/24/557230124.db2.gz IQUIZPRHYKUHEN-GJZGRUSLSA-N -1 3 441.513 3.051 50 0 IGAAHM CCOc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)ccc1O ZINC000027664429 557270324 /nfs/dbraw/zinc/27/03/24/557270324.db2.gz WRJJAINARFDXTG-ZWOKBUDYSA-N -1 3 438.402 3.203 50 0 IGAAHM O=C(c1nnc(-c2csc(S(=O)(=O)[N-]C3CCCCCCC3)c2)o1)N1CCCC1 ZINC000065098764 557438953 /nfs/dbraw/zinc/43/89/53/557438953.db2.gz SGYRDDXZKBLRHV-UHFFFAOYSA-N -1 3 438.575 3.425 50 0 IGAAHM COc1ccc(/C=C2\N=C(c3ccccc3)N([N-]C(=O)c3ccncc3)C2=O)cc1OC ZINC000024543332 557442263 /nfs/dbraw/zinc/44/22/63/557442263.db2.gz FEFHTWFYDUICPS-RGEXLXHISA-N -1 3 428.448 3.074 50 0 IGAAHM CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC000036744360 557520994 /nfs/dbraw/zinc/52/09/94/557520994.db2.gz IBWYAEVEIGBAEB-UHFFFAOYSA-N -1 3 431.440 3.029 50 0 IGAAHM CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC000036744360 557520999 /nfs/dbraw/zinc/52/09/99/557520999.db2.gz IBWYAEVEIGBAEB-UHFFFAOYSA-N -1 3 431.440 3.029 50 0 IGAAHM COc1ccc(-c2nc(CSc3nc4c(nc(C)[n-]c4=O)n3C)c(C)o2)cc1OC ZINC000019625864 560094086 /nfs/dbraw/zinc/09/40/86/560094086.db2.gz NJWNAPZNQCBEIO-UHFFFAOYSA-N -1 3 427.486 3.238 50 0 biogenic,in-vitro IGAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)C2CCN(C)CC2)cc1 ZINC000002697097 562929824 /nfs/dbraw/zinc/92/98/24/562929824.db2.gz WXGSCZIHQZFAEO-UHFFFAOYSA-N -1 3 431.558 3.052 50 0 IGAAHM CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc2ncc(C(=O)NC(C)(C)C)c([O-])c2c1 ZINC000006181343 562946435 /nfs/dbraw/zinc/94/64/35/562946435.db2.gz FFNSLOSLPNEEGR-UHFFFAOYSA-N -1 3 445.516 3.411 50 0 IGAAHM CCOc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)ccc1OC ZINC000006552443 562947347 /nfs/dbraw/zinc/94/73/47/562947347.db2.gz WLLPRYOIDRRSSP-ZWOKBUDYSA-N -1 3 438.402 3.198 50 0 IGAAHM CCCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(OC)c(C)c3)cc21 ZINC000015781390 568825738 /nfs/dbraw/zinc/82/57/38/568825738.db2.gz JGXYBAYVKZIPKM-UHFFFAOYSA-N -1 3 438.571 3.297 50 0 IGAAHM COc1cccc(OCCOc2ccc(C)cc2[C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)c1 ZINC000015833002 568842550 /nfs/dbraw/zinc/84/25/50/568842550.db2.gz MUYIEQUYGOJILE-NRFANRHFSA-N -1 3 443.525 3.462 50 0 IGAAHM CCCCNC(=O)c1cnc2ccc(S(=O)(=O)N(C)c3c(C)cccc3C)cc2c1[O-] ZINC000006181375 568868071 /nfs/dbraw/zinc/86/80/71/568868071.db2.gz WAABVLAOPGBAOB-UHFFFAOYSA-N -1 3 441.553 3.500 50 0 IGAAHM Cc1ccc(C)c(S(=O)(=O)N2CCN(Cn3nc(-c4ccccc4)[n-]c3=S)CC2)c1 ZINC000013095652 568924800 /nfs/dbraw/zinc/92/48/00/568924800.db2.gz NQWMFGOPOUWVIU-UHFFFAOYSA-N -1 3 443.598 3.189 50 0 IGAAHM COCCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccccc3C)cc2)nc1 ZINC000065063556 569097673 /nfs/dbraw/zinc/09/76/73/569097673.db2.gz XHBMOHOFQBUDQC-UHFFFAOYSA-N -1 3 441.509 3.359 50 0 IGAAHM Cc1oc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)nc1C(=O)N1CCC(C)CC1 ZINC000065293833 569131044 /nfs/dbraw/zinc/13/10/44/569131044.db2.gz IYUPONXDIGIRBJ-UHFFFAOYSA-N -1 3 445.463 3.352 50 0 IGAAHM Cc1cc([N-]C(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)on1 ZINC000014142515 569157914 /nfs/dbraw/zinc/15/79/14/569157914.db2.gz BHKVPAWHWDLVRD-OAHLLOKOSA-N -1 3 449.529 3.120 50 0 IGAAHM Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCN(C)CC4)nn3)cc2)c1 ZINC000017010960 569170370 /nfs/dbraw/zinc/17/03/70/569170370.db2.gz UZQNDZXJTLZUDO-UHFFFAOYSA-N -1 3 437.569 3.313 50 0 IGAAHM CNc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)ccn1 ZINC000253417953 569266506 /nfs/dbraw/zinc/26/65/06/569266506.db2.gz VBDGGHCDJBHDBB-UHFFFAOYSA-N -1 3 426.498 3.493 50 0 IGAAHM CCn1ncc2ccc([N-]S(=O)(=O)[C@H]3CCN(C(=O)OCc4ccccc4)C3)cc21 ZINC000253425909 569267243 /nfs/dbraw/zinc/26/72/43/569267243.db2.gz WMAREQAPRLCFRW-IBGZPJMESA-N -1 3 428.514 3.209 50 0 IGAAHM Cc1cc(S(=O)(=O)[C@@H](C[N-]S(=O)(=O)Cc2ccccc2)c2cccnc2)ccc1F ZINC000019797370 569329690 /nfs/dbraw/zinc/32/96/90/569329690.db2.gz VIYQZGWTPOTDQE-NRFANRHFSA-N -1 3 448.541 3.164 50 0 IGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cc(Cl)ccc1N(CCc1ccccc1)C2=O ZINC000020069254 569333169 /nfs/dbraw/zinc/33/31/69/569333169.db2.gz SMFMSCXSKKFYQN-NRFANRHFSA-N -1 3 442.928 3.085 50 0 IGAAHM CC(C)CNC(=O)N1CCN(Cc2nc(=O)c3c(-c4cccs4)csc3[n-]2)CC1 ZINC000095469653 569371567 /nfs/dbraw/zinc/37/15/67/569371567.db2.gz WHQYWRAGXDNYQI-UHFFFAOYSA-N -1 3 431.587 3.196 50 0 IGAAHM Cc1cc(N2CC[C@H]([N-]S(=O)(=O)c3ccc(Br)s3)C2=O)ccc1F ZINC000096396360 569398954 /nfs/dbraw/zinc/39/89/54/569398954.db2.gz XGRJCLVXKFBIMA-LBPRGKRZSA-N -1 3 433.324 3.042 50 0 IGAAHM Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)c3ccc(Br)s3)C2=O)ccc1F ZINC000096396361 569399011 /nfs/dbraw/zinc/39/90/11/569399011.db2.gz XGRJCLVXKFBIMA-GFCCVEGCSA-N -1 3 433.324 3.042 50 0 IGAAHM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccccc2COC)c(Br)c1 ZINC000028055354 569407024 /nfs/dbraw/zinc/40/70/24/569407024.db2.gz KSZWXYCUFDCLSY-UHFFFAOYSA-N -1 3 442.331 3.251 50 0 IGAAHM CCC[NH+]1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(CC)cc2)CC1 ZINC000058009325 569444757 /nfs/dbraw/zinc/44/47/57/569444757.db2.gz XVCNDIUNHUGRLN-UHFFFAOYSA-N -1 3 431.558 3.280 50 0 IGAAHM O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccnc2)c1 ZINC000008710542 569470959 /nfs/dbraw/zinc/47/09/59/569470959.db2.gz KPNMRVZKYWXRKP-UHFFFAOYSA-N -1 3 445.884 3.195 50 0 IGAAHM COC(=O)c1sc2[n-]c(CSc3nnc(-c4ccccc4C)n3C)nc(=O)c2c1C ZINC000008896982 569483943 /nfs/dbraw/zinc/48/39/43/569483943.db2.gz UHAVIUQOFGANKQ-UHFFFAOYSA-N -1 3 441.538 3.476 50 0 IGAAHM CC(=O)c1[n-]n(-c2cccc(C)c2)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000009075325 569500241 /nfs/dbraw/zinc/50/02/41/569500241.db2.gz YPSNHKWROGBUBO-WMZOPIPTSA-N -1 3 426.270 3.081 50 0 IGAAHM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc4ccccc4c3)n2)cc1OC ZINC000009129533 569505797 /nfs/dbraw/zinc/50/57/97/569505797.db2.gz HQVXZCMVTDVMPV-UHFFFAOYSA-N -1 3 425.466 3.386 50 0 IGAAHM CC(C)(C)OC(=O)N1CCC(c2nc3c(nnn3Cc3ccccc3F)c(=O)[n-]2)CC1 ZINC000009195552 569510978 /nfs/dbraw/zinc/51/09/78/569510978.db2.gz LGRISKXDUNNOPI-UHFFFAOYSA-N -1 3 428.468 3.229 50 0 IGAAHM COc1ccc([C@@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCO)cc1OC ZINC000009243206 569514845 /nfs/dbraw/zinc/51/48/45/569514845.db2.gz ALRGLORPKBTFOD-OAQYLSRUSA-N -1 3 443.887 3.299 50 0 IGAAHM Cc1ccc(CSc2nnc(Cc3cc(=O)[n-]c(=O)[nH]3)n2-c2ccc(Cl)cc2)cc1 ZINC000009382101 569528220 /nfs/dbraw/zinc/52/82/20/569528220.db2.gz WLMITZVHWYYILH-UHFFFAOYSA-N -1 3 439.928 3.489 50 0 IGAAHM O=c1cc(Cc2nnc(SCc3ccc(Cl)cc3)n2-c2ccc(F)cc2)[nH]c(=O)[n-]1 ZINC000009382055 569528259 /nfs/dbraw/zinc/52/82/59/569528259.db2.gz VDSQRYIGLYVTQZ-UHFFFAOYSA-N -1 3 443.891 3.320 50 0 IGAAHM COc1cc(OC)cc(-n2nnc(-c3nsc([N-]C(=O)c4cccs4)n3)c2C)c1 ZINC000009638573 569554983 /nfs/dbraw/zinc/55/49/83/569554983.db2.gz QETOCDZFQSLOSB-UHFFFAOYSA-N -1 3 428.499 3.425 50 0 IGAAHM CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000009640114 569555320 /nfs/dbraw/zinc/55/53/20/569555320.db2.gz YROPTULDWYCEHW-UHFFFAOYSA-N -1 3 449.488 3.038 50 0 IGAAHM CC(C)c1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C[C@H]3CCCO3)c2)s1 ZINC000012755669 519890586 /nfs/dbraw/zinc/89/05/86/519890586.db2.gz VVQJRQQVZKMXSI-GFCCVEGCSA-N -1 3 444.966 3.025 50 0 IGAAHM CN(C)[C@H](CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)c1ccco1 ZINC000022754231 522084634 /nfs/dbraw/zinc/08/46/34/522084634.db2.gz AAPWCYMRLFGCSM-LJQANCHMSA-N -1 3 431.489 3.252 50 0 IGAAHM COc1cc([C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OC(=O)c1cccc(C)c1 ZINC000020895749 522931046 /nfs/dbraw/zinc/93/10/46/522931046.db2.gz ZUJATTRVAYQVLO-IBGZPJMESA-N -1 3 427.482 3.224 50 0 IGAAHM C[C@H](CCc1ccccc1)n1c(=O)[nH]c([O-])c([C@@H]2NCCc3c4ccccc4[nH]c32)c1=O ZINC000020757322 524249593 /nfs/dbraw/zinc/24/95/93/524249593.db2.gz RBPLPCIJFWKKGD-QRQCRPRQSA-N -1 3 430.508 3.152 50 0 IGAAHM C[C@H](CCc1ccccc1)n1c([O-])c([C@@H]2NCCc3c4ccccc4[nH]c32)c(=O)[nH]c1=O ZINC000020757322 524249605 /nfs/dbraw/zinc/24/96/05/524249605.db2.gz RBPLPCIJFWKKGD-QRQCRPRQSA-N -1 3 430.508 3.152 50 0 IGAAHM COc1cccc2cc(C(=O)[N-]c3nnc(Cc4ccc(S(C)(=O)=O)cc4)o3)oc21 ZINC000035588415 524260196 /nfs/dbraw/zinc/26/01/96/524260196.db2.gz JTIJFOVHHPBBHH-UHFFFAOYSA-N -1 3 427.438 3.071 50 0 IGAAHM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccco3)N(C)C)c2)cc1 ZINC000012526210 524694341 /nfs/dbraw/zinc/69/43/41/524694341.db2.gz CIBSUIFLISKWMZ-FQEVSTJZSA-N -1 3 443.525 3.122 50 0 IGAAHM COc1ccc(OCCOc2ccc([C@H]3SC([N-]C(C)=O)=NN3C(C)=O)cc2)cc1 ZINC000020895584 524964424 /nfs/dbraw/zinc/96/44/24/524964424.db2.gz JVPHUVMEMUILAV-HXUWFJFHSA-N -1 3 429.498 3.154 50 0 IGAAHM C[C@]1(CSc2ccccc2C(=O)N[C@H]2CCSc3ccccc32)NC(=O)[N-]C1=O ZINC000012896443 525277055 /nfs/dbraw/zinc/27/70/55/525277055.db2.gz MACCIHVJYCFHBO-YCRPNKLZSA-N -1 3 427.551 3.344 50 0 IGAAHM C[C@H](Sc1nnc(CCC(N)=O)n1C)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000012850434 526013350 /nfs/dbraw/zinc/01/33/50/526013350.db2.gz MDOKKCOLXOIQHQ-VIFPVBQESA-N -1 3 446.583 3.113 50 0 IGAAHM Cc1nn2c(nnc2S[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)[n-]c1=O ZINC000015481705 526313252 /nfs/dbraw/zinc/31/32/52/526313252.db2.gz WEOLYJZGYSJUQQ-ZCFIWIBFSA-N -1 3 433.708 3.201 50 0 IGAAHM O=S(=O)([N-]Cc1nc2cccnc2n1C1CCCCC1)c1cccc2nsnc21 ZINC000035526507 527234473 /nfs/dbraw/zinc/23/44/73/527234473.db2.gz CHCFFUOJYREJRU-UHFFFAOYSA-N -1 3 428.543 3.420 50 0 IGAAHM O=c1cc(CN2CCCCC2)nc(N2CCCN(Cc3cccc(C(F)(F)F)c3)CC2)[n-]1 ZINC000035926890 527476105 /nfs/dbraw/zinc/47/61/05/527476105.db2.gz RLDJXJPEQXUSHT-UHFFFAOYSA-N -1 3 449.521 3.487 50 0 IGAAHM COc1ccc(N2C(=O)CC[C@@H](C(=O)[N-]C3=NCCS3)[C@H]2c2ccccc2OC)cc1 ZINC000012972503 536658762 /nfs/dbraw/zinc/65/87/62/536658762.db2.gz SRIPPYVUVPUIKH-WIYYLYMNSA-N -1 3 439.537 3.407 50 0 IGAAHM COc1ccccc1CC[N-]S(=O)(=O)[C@@H]1CON(C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000034739087 555890833 /nfs/dbraw/zinc/89/08/33/555890833.db2.gz QXQCYZHFQNVJBP-YADHBBJMSA-N -1 3 432.586 3.442 50 0 IGAAHM O=C(COC(=O)c1sccc1S(=O)(=O)[N-]C1CC1)Nc1c(Cl)cccc1Cl ZINC000010562139 556068858 /nfs/dbraw/zinc/06/88/58/556068858.db2.gz NKNWTGVAXSDZRQ-UHFFFAOYSA-N -1 3 449.337 3.291 50 0 IGAAHM CCOc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1OC ZINC000008741823 556207422 /nfs/dbraw/zinc/20/74/22/556207422.db2.gz QHSNTKCALOCZCF-ZWOKBUDYSA-N -1 3 438.402 3.198 50 0 IGAAHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)NCc1ccccn1 ZINC000009426724 556290534 /nfs/dbraw/zinc/29/05/34/556290534.db2.gz ZOZYEOAQXKYKMW-UHFFFAOYSA-N -1 3 429.473 3.025 50 0 IGAAHM Cc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccc(Cl)cc3Cl)C2)cc1 ZINC000009591188 556301091 /nfs/dbraw/zinc/30/10/91/556301091.db2.gz RFAIDKQMVYBOCQ-AWEZNQCLSA-N -1 3 449.290 3.221 50 0 IGAAHM CCOc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1OC ZINC000011859252 556367874 /nfs/dbraw/zinc/36/78/74/556367874.db2.gz QHSNTKCALOCZCF-ABSDTBQOSA-N -1 3 438.402 3.198 50 0 IGAAHM Cc1nc2cc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]C[C@H]4CCCO4)c3)ccc2o1 ZINC000014242396 556402916 /nfs/dbraw/zinc/40/29/16/556402916.db2.gz BJLNQQPOZARRLZ-OAHLLOKOSA-N -1 3 449.916 3.499 50 0 IGAAHM Cc1ccc(NC(=O)c2cccc(C(N)=O)c2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000030605882 556499402 /nfs/dbraw/zinc/49/94/02/556499402.db2.gz LAMAGJIFZAQKKY-UHFFFAOYSA-N -1 3 427.457 3.286 50 0 IGAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000013523077 556512379 /nfs/dbraw/zinc/51/23/79/556512379.db2.gz KBJXBTRPMZUISV-UHFFFAOYSA-N -1 3 449.583 3.049 50 0 IGAAHM CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(C)cc1[O-] ZINC000032721150 556529060 /nfs/dbraw/zinc/52/90/60/556529060.db2.gz COIMPJLOCSZBEZ-MRXNPFEDSA-N -1 3 428.963 3.393 50 0 IGAAHM CCOC(=O)c1c([N-]C(=O)C(=O)NCCc2ccccc2)sc2c1CC(C)(C)OC2 ZINC000013607519 556533283 /nfs/dbraw/zinc/53/32/83/556533283.db2.gz JCMUWLNMCQNIDF-UHFFFAOYSA-N -1 3 430.526 3.074 50 0 IGAAHM Cc1ccc(Cc2nn3c(nnc3SCC(=O)Nc3cc(C)ccc3C)[n-]c2=O)cc1 ZINC000015882071 556561294 /nfs/dbraw/zinc/56/12/94/556561294.db2.gz XSKCQYCQGXDUDK-UHFFFAOYSA-N -1 3 434.525 3.472 50 0 IGAAHM Cc1ccc(Cc2nn3c(nnc3SCC(=O)Nc3ccc(C)cc3C)[n-]c2=O)cc1 ZINC000015882072 556561352 /nfs/dbraw/zinc/56/13/52/556561352.db2.gz HENZZFXZSAGBHL-UHFFFAOYSA-N -1 3 434.525 3.472 50 0 IGAAHM CCc1nn2c(ncc3c2ccn([N-]C(=O)c2cccnc2)c3=O)c1-c1ccc(F)cc1 ZINC000040396858 556639180 /nfs/dbraw/zinc/63/91/80/556639180.db2.gz HZJWJGIEJYZXEU-UHFFFAOYSA-N -1 3 428.427 3.192 50 0 IGAAHM COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000012016156 556681236 /nfs/dbraw/zinc/68/12/36/556681236.db2.gz NLYWJAWUJOEYEE-UHFFFAOYSA-N -1 3 430.935 3.079 50 0 IGAAHM N=C1Nc2nc3cc4c(cc3n2[C@H](c2ccc([O-])c(Br)c2)N1)OCCCO4 ZINC000019354124 556744974 /nfs/dbraw/zinc/74/49/74/556744974.db2.gz FNAJAHKXMAKNQM-MRXNPFEDSA-N -1 3 430.262 3.162 50 0 IGAAHM O=C(Nc1ccc(F)cc1)C1CC(=O)Nc2nc(SCc3ccc(F)cc3)[n-]c(=O)c21 ZINC000046075384 557032117 /nfs/dbraw/zinc/03/21/17/557032117.db2.gz HHNOJNWJPSMMAX-HNNXBMFYSA-N -1 3 442.447 3.405 50 0 IGAAHM Cc1noc(-c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]CC(F)(F)F)cc3)cc2)n1 ZINC000023004719 557057221 /nfs/dbraw/zinc/05/72/21/557057221.db2.gz OKNIQWXTWFWPHV-UHFFFAOYSA-N -1 3 440.403 3.138 50 0 IGAAHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000048286569 557058511 /nfs/dbraw/zinc/05/85/11/557058511.db2.gz DWMRJJHYBQTULR-UHFFFAOYSA-N -1 3 433.390 3.148 50 0 IGAAHM O=C(C1CCC(C[N-]S(=O)(=O)c2cccs2)CC1)N1CCN(c2ccccc2)CC1 ZINC000004794108 557126154 /nfs/dbraw/zinc/12/61/54/557126154.db2.gz LQYBBAVCAGQTJX-UHFFFAOYSA-N -1 3 447.626 3.182 50 0 IGAAHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000024030921 557132620 /nfs/dbraw/zinc/13/26/20/557132620.db2.gz QRLNELRQUPBMGI-UHFFFAOYSA-N -1 3 435.552 3.369 50 0 IGAAHM O=C(/C=C/c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1)[N-]O[C@@H]1CCCCO1 ZINC000072481738 557137711 /nfs/dbraw/zinc/13/77/11/557137711.db2.gz LVBSWRMRNBSZJC-RSNBEDGSSA-N -1 3 426.494 3.466 50 0 IGAAHM C[C@H](NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1)c1ccc(F)c(F)c1 ZINC000025056040 557191986 /nfs/dbraw/zinc/19/19/86/557191986.db2.gz AURVOTBNHCKZOT-LBPRGKRZSA-N -1 3 429.514 3.240 50 0 IGAAHM CC(=O)c1[n-]n(-c2cccc(C)c2)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000100892217 557198593 /nfs/dbraw/zinc/19/85/93/557198593.db2.gz YPSNHKWROGBUBO-FUHWJXTLSA-N -1 3 426.270 3.081 50 0 IGAAHM O=C(CSc1ccc(F)c(F)c1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000026113360 557234933 /nfs/dbraw/zinc/23/49/33/557234933.db2.gz QOPSWKAVMMMUIS-UHFFFAOYSA-N -1 3 432.539 3.088 50 0 IGAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC[N@H+](C)CC3)cc2C(=O)[O-])cc1 ZINC000033007423 557320726 /nfs/dbraw/zinc/32/07/26/557320726.db2.gz VGHWLKFJEJEBMA-UHFFFAOYSA-N -1 3 431.558 3.280 50 0 IGAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC[N@@H+](C)CC3)cc2C(=O)[O-])cc1 ZINC000033007423 557320730 /nfs/dbraw/zinc/32/07/30/557320730.db2.gz VGHWLKFJEJEBMA-UHFFFAOYSA-N -1 3 431.558 3.280 50 0 IGAAHM CCc1cccc2c(C(=O)COC(=O)C[N-]S(=O)(=O)C=Cc3ccccc3)c[nH]c21 ZINC000033500491 557336522 /nfs/dbraw/zinc/33/65/22/557336522.db2.gz DABUANVGWWDJLZ-VAWYXSNFSA-N -1 3 426.494 3.047 50 0 IGAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)c(OC)c2)cc1 ZINC000102724153 557369675 /nfs/dbraw/zinc/36/96/75/557369675.db2.gz UVOPOOFLTDESHU-XPWALMASSA-N -1 3 446.459 3.461 50 0 IGAAHM COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4C(=O)[O-])[C@H]3C2=O)cc1 ZINC000102760636 557385298 /nfs/dbraw/zinc/38/52/98/557385298.db2.gz IJYVDSXEAORJEH-BHIFYINESA-N -1 3 444.443 3.445 50 0 IGAAHM CCOc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)Nc2ccccc2F)cc1 ZINC000051316485 557464301 /nfs/dbraw/zinc/46/43/01/557464301.db2.gz NQAYOWGEOQODQL-UHFFFAOYSA-N -1 3 439.472 3.377 50 0 IGAAHM CCOc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)Nc2ccccc2F)cc1 ZINC000051316485 557464304 /nfs/dbraw/zinc/46/43/04/557464304.db2.gz NQAYOWGEOQODQL-UHFFFAOYSA-N -1 3 439.472 3.377 50 0 IGAAHM Cc1cccc(N(C)C(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccc(F)c(F)c2)c1 ZINC000051316782 557465752 /nfs/dbraw/zinc/46/57/52/557465752.db2.gz AXHAKOWORFQLDV-UHFFFAOYSA-N -1 3 441.463 3.451 50 0 IGAAHM Cc1cccc(N(C)C(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccc(F)c(F)c2)c1 ZINC000051316782 557465754 /nfs/dbraw/zinc/46/57/54/557465754.db2.gz AXHAKOWORFQLDV-UHFFFAOYSA-N -1 3 441.463 3.451 50 0 IGAAHM O=C(CCC[N-]S(=O)(=O)c1ccc(F)cc1F)OCc1cc(-c2ccccc2)on1 ZINC000019064827 568634822 /nfs/dbraw/zinc/63/48/22/568634822.db2.gz PHMLDRZXNGGOTP-UHFFFAOYSA-N -1 3 436.436 3.422 50 0 IGAAHM C[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)OCc1cccc(C(F)(F)F)c1 ZINC000019076916 568636988 /nfs/dbraw/zinc/63/69/88/568636988.db2.gz GHZKQQSSIDZTRD-JTQLQIEISA-N -1 3 445.444 3.120 50 0 IGAAHM CCCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1S[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000084750168 568800858 /nfs/dbraw/zinc/80/08/58/568800858.db2.gz YANFPDXGAIUNOB-CQSZACIVSA-N -1 3 449.602 3.332 50 0 IGAAHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1Cl ZINC000012982118 568894565 /nfs/dbraw/zinc/89/45/65/568894565.db2.gz CNBWFMBCFZZCNY-MRXNPFEDSA-N -1 3 425.890 3.084 50 0 IGAAHM CCCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)ccc21 ZINC000064818901 568965681 /nfs/dbraw/zinc/96/56/81/568965681.db2.gz FEZCSZGUQCKNHF-UHFFFAOYSA-N -1 3 442.852 3.141 50 0 IGAAHM O=C([N-]c1ccc(F)c(F)c1)c1nnc([C@H]2CCCN2C(=O)NC[C@H]2CCCO2)s1 ZINC000064930881 568989313 /nfs/dbraw/zinc/98/93/13/568989313.db2.gz AJBQCSWGZVRJEY-IUODEOHRSA-N -1 3 437.472 3.094 50 0 IGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCN3C[C@H](C)C[C@@H](C)C3)cc2)cc1 ZINC000036390953 569097572 /nfs/dbraw/zinc/09/75/72/569097572.db2.gz GDKGEMUZHSLXAT-QZTJIDSGSA-N -1 3 445.585 3.204 50 0 IGAAHM COc1ccc(NC(=O)C[C@H](CN2CCN(c3ccc(Cl)cc3)CC2)C(=O)[O-])cc1 ZINC000071283690 569150773 /nfs/dbraw/zinc/15/07/73/569150773.db2.gz MMJSTGFXDNTDON-MRXNPFEDSA-N -1 3 431.920 3.200 50 0 IGAAHM Cc1cc(N2CCOCC2)nc(Nc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2)n1 ZINC000017013915 569170775 /nfs/dbraw/zinc/17/07/75/569170775.db2.gz VBCLDIHFBHVENL-UHFFFAOYSA-N -1 3 443.504 3.305 50 0 IGAAHM COC(=O)C[C@@H](c1cc(OC)c(OC(C)=O)c(OC)c1)c1oc2ccccc2c(=O)c1[O-] ZINC000253400870 569264975 /nfs/dbraw/zinc/26/49/75/569264975.db2.gz FEMRQYKBFMFDSV-HNNXBMFYSA-N -1 3 442.420 3.136 50 0 IGAAHM NC(=O)C[C@H](c1ccc(OC(F)(F)F)cc1)c1oc(CN2CCCCC2)cc(=O)c1[O-] ZINC000253396298 569288981 /nfs/dbraw/zinc/28/89/81/569288981.db2.gz AYUFARGKDUUQQP-MRXNPFEDSA-N -1 3 440.418 3.237 50 0 IGAAHM NC(=O)C[C@@H](c1ccc(OC(F)(F)F)cc1)c1oc(CN2CCCCC2)cc(=O)c1[O-] ZINC000253396293 569288998 /nfs/dbraw/zinc/28/89/98/569288998.db2.gz AYUFARGKDUUQQP-INIZCTEOSA-N -1 3 440.418 3.237 50 0 IGAAHM Cc1ccc(N2C(=O)N[C@]([N-]S(=O)(=O)c3ccc(Cl)cc3)(C(F)(F)F)C2=O)cc1 ZINC000002380145 569290028 /nfs/dbraw/zinc/29/00/28/569290028.db2.gz NTZSVLAYNXQSSX-MRXNPFEDSA-N -1 3 447.822 3.146 50 0 IGAAHM O=C(NCCN1CCCC1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(Cl)cc1)c2=O ZINC000020644058 569374836 /nfs/dbraw/zinc/37/48/36/569374836.db2.gz MDSLEOQUCYMIHS-UHFFFAOYSA-N -1 3 442.972 3.213 50 0 IGAAHM Nc1nc([O-])c([C@]2(O)C(=O)N(Cc3cccc4ccccc43)c3ccc(Cl)cc32)s1 ZINC000096318584 569393817 /nfs/dbraw/zinc/39/38/17/569393817.db2.gz SNZZCSVKRWFFFE-AVRDEDQJSA-N -1 3 437.908 3.184 50 0 IGAAHM COc1ccc(OC)c(NC(=O)C2CCC(C[N-]S(=O)(=O)c3cccs3)CC2)c1 ZINC000002469091 569403916 /nfs/dbraw/zinc/40/39/16/569403916.db2.gz VLODOLAGKDUUDP-UHFFFAOYSA-N -1 3 438.571 3.489 50 0 IGAAHM O=C(CCc1ccccc1Br)N[C@@H](Cn1c([O-])coc1=O)c1ccccc1 ZINC000225635819 569406251 /nfs/dbraw/zinc/40/62/51/569406251.db2.gz VOKCVWLGIXBEQT-KRWDZBQOSA-N -1 3 431.286 3.218 50 0 IGAAHM Cc1nc2c(c(N3CCC([N-]S(=O)(=O)c4ccc(Cl)s4)CC3)n1)CCCC2 ZINC000225739667 569407958 /nfs/dbraw/zinc/40/79/58/569407958.db2.gz ALGFFVYNXSCKHL-UHFFFAOYSA-N -1 3 426.995 3.326 50 0 IGAAHM Cc1ccc([C@]2(C)NC(=O)N(Cc3nc(=O)c4c5c(sc4[n-]3)C[C@H](C)CC5)C2=O)cc1 ZINC000002627320 569411878 /nfs/dbraw/zinc/41/18/78/569411878.db2.gz JQPILNXTVQNLON-ZLOXQWCVSA-N -1 3 436.537 3.385 50 0 IGAAHM COc1ccc(-n2c3sc(C(=O)c4ccc(Cl)cc4)c(N)c3c(=O)[n-]c2=O)cc1 ZINC000002659898 569415874 /nfs/dbraw/zinc/41/58/74/569415874.db2.gz MTXXOKZZKBFLLD-UHFFFAOYSA-N -1 3 427.869 3.216 50 0 IGAAHM CCC[NH+]1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(OCC)cc2)CC1 ZINC000058009329 569444717 /nfs/dbraw/zinc/44/47/17/569444717.db2.gz DVPHHSXWMWOXQL-UHFFFAOYSA-N -1 3 447.557 3.116 50 0 IGAAHM CC(C)Cn1c(=O)[n-]c(=O)c2c(C(=O)NCCc3c[nH]c4ccccc34)cc(C3CC3)nc21 ZINC000032059935 569459046 /nfs/dbraw/zinc/45/90/46/569459046.db2.gz CEBIFKFTMRJQRQ-UHFFFAOYSA-N -1 3 445.523 3.072 50 0 IGAAHM Cc1oc(C(=O)[N-]c2nc(CN3CCCCC3)cs2)cc1S(=O)(=O)N1CCCC1 ZINC000040130251 569490231 /nfs/dbraw/zinc/49/02/31/569490231.db2.gz MAQCRKZOXXAHPG-UHFFFAOYSA-N -1 3 438.575 3.067 50 0 IGAAHM C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)c1ccccc1Br ZINC000040160968 569495127 /nfs/dbraw/zinc/49/51/27/569495127.db2.gz VWANFJRHEPRNCU-NWDGAFQWSA-N -1 3 429.311 3.132 50 0 IGAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)cc2)cc1 ZINC000009153179 569508008 /nfs/dbraw/zinc/50/80/08/569508008.db2.gz XKJKDUKZXBZTAN-UHFFFAOYSA-N -1 3 437.477 3.077 50 0 IGAAHM C[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000009378670 569527628 /nfs/dbraw/zinc/52/76/28/569527628.db2.gz OICBGICVLCZSHC-CYBMUJFWSA-N -1 3 443.554 3.410 50 0 IGAAHM O=C([N-]N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1cc2c(c(Cl)c1)OCO2 ZINC000009411894 569531564 /nfs/dbraw/zinc/53/15/64/569531564.db2.gz UIYMZVHMCUVCLK-UHFFFAOYSA-N -1 3 449.850 3.209 50 0 IGAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccc(Cl)cc1)NCc1cccs1 ZINC000009490151 569540108 /nfs/dbraw/zinc/54/01/08/569540108.db2.gz URYHAACKTLAFTR-UHFFFAOYSA-N -1 3 431.930 3.232 50 0 IGAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccc(Cl)cc1)NCc1cccs1 ZINC000009490151 569540109 /nfs/dbraw/zinc/54/01/09/569540109.db2.gz URYHAACKTLAFTR-UHFFFAOYSA-N -1 3 431.930 3.232 50 0 IGAAHM CS(=O)(=O)[N-]c1ccc(C(=O)COc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000009781604 569567638 /nfs/dbraw/zinc/56/76/38/569567638.db2.gz RYMQDXMPNMNQGJ-UHFFFAOYSA-N -1 3 438.505 3.250 50 0 IGAAHM CCCc1c(=O)[n-]c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1-c1ccccc1 ZINC000013611345 132351759 /nfs/dbraw/zinc/35/17/59/132351759.db2.gz QAPQVSKZDUSCRX-UHFFFAOYSA-N -1 3 432.524 3.440 50 0 IGAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1ccccc1Br ZINC000021052243 519821324 /nfs/dbraw/zinc/82/13/24/519821324.db2.gz LTKLVPJDUFOLRU-HNNXBMFYSA-N -1 3 431.377 3.130 50 0 IGAAHM CCOC(=O)C1CCN([C@H](c2sc3nc(CC)nn3c2[O-])c2ccc(OC)cc2)CC1 ZINC000022853535 520583731 /nfs/dbraw/zinc/58/37/31/520583731.db2.gz MRVDSZGZVJSVBX-SFHVURJKSA-N -1 3 444.557 3.432 50 0 IGAAHM CCOC(=O)[C@@]([N-]S(=O)(=O)c1ccccc1)(C(F)(F)F)[P@](C)(=O)OC(C)C ZINC000012412238 521176179 /nfs/dbraw/zinc/17/61/79/521176179.db2.gz LPBDKVRBWLPMBN-RMKBEBRYSA-N -1 3 431.369 3.120 50 0 IGAAHM COc1cc(C(=O)N2CCC[C@@H](C[N-]S(=O)(=O)c3cccs3)C2)c2ccccc2n1 ZINC000012577968 522074704 /nfs/dbraw/zinc/07/47/04/522074704.db2.gz ROFPELABMAXJCJ-HNNXBMFYSA-N -1 3 445.566 3.136 50 0 IGAAHM Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c([O-])c1 ZINC000023444382 526113495 /nfs/dbraw/zinc/11/34/95/526113495.db2.gz AWVRFPIETFIOIJ-UHFFFAOYSA-N -1 3 429.325 3.154 50 0 IGAAHM Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N(C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000022203321 527115156 /nfs/dbraw/zinc/11/51/56/527115156.db2.gz JQAWGQJUIJEPDD-UHFFFAOYSA-N -1 3 446.536 3.389 50 0 IGAAHM O=C(Nc1ccccc1[O-])[C@H]1CCCN1S(=O)(=O)c1ccc(Br)s1 ZINC000012735327 527429453 /nfs/dbraw/zinc/42/94/53/527429453.db2.gz XMEPJIGLXMCOFH-LLVKDONJSA-N -1 3 431.333 3.008 50 0 IGAAHM CCOC(=O)c1[n-]c(COC(=O)/C=C/c2cc(OC)ccc2OC)c(C(=O)OCC)c1C ZINC000009562370 555580512 /nfs/dbraw/zinc/58/05/12/555580512.db2.gz KUUDKOQKEWAGMH-DHZHZOJOSA-N -1 3 445.468 3.450 50 0 IGAAHM COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000001078720 555625615 /nfs/dbraw/zinc/62/56/15/555625615.db2.gz XTSUIHVVWYHPPZ-UHFFFAOYSA-N -1 3 440.521 3.500 50 0 IGAAHM CN1OC[C@@H](S(=O)(=O)[N-]Cc2cccnc2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000034739118 555891164 /nfs/dbraw/zinc/89/11/64/555891164.db2.gz KANYXQAGRQVMFE-DHIUTWEWSA-N -1 3 439.537 3.067 50 0 IGAAHM CCCCN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccccc3OC)o2)cc1 ZINC000002723454 556128753 /nfs/dbraw/zinc/12/87/53/556128753.db2.gz NBCVQGMYEHKSOW-UHFFFAOYSA-N -1 3 444.513 3.418 50 0 IGAAHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCOc2ccccc2F)c(Br)c1 ZINC000032770614 556334486 /nfs/dbraw/zinc/33/44/86/556334486.db2.gz FXKQWEFORNOANS-UHFFFAOYSA-N -1 3 446.294 3.122 50 0 IGAAHM CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000014109374 556369060 /nfs/dbraw/zinc/36/90/60/556369060.db2.gz JIFUBSWKAGDNBC-CQSZACIVSA-N -1 3 433.493 3.431 50 0 IGAAHM O=C(CNC(=O)C1CCCCC1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000014141838 556376843 /nfs/dbraw/zinc/37/68/43/556376843.db2.gz DONXYXAZKMPZJM-UHFFFAOYSA-N -1 3 433.505 3.262 50 0 IGAAHM C[C@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032855447 556433217 /nfs/dbraw/zinc/43/32/17/556433217.db2.gz MJGHCPRHUYBOJU-NSHDSACASA-N -1 3 437.934 3.051 50 0 IGAAHM COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000072305330 556550579 /nfs/dbraw/zinc/55/05/79/556550579.db2.gz LFJPARBDSWGTJK-XLIONFOSSA-N -1 3 435.528 3.053 50 0 IGAAHM COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000072305331 556550621 /nfs/dbraw/zinc/55/06/21/556550621.db2.gz LFJPARBDSWGTJK-YLJYHZDGSA-N -1 3 435.528 3.053 50 0 IGAAHM COc1ccc(-c2nn3c(nnc3SCC(=O)Nc3ccc(Cl)cc3)[n-]c2=O)cc1 ZINC000015882038 556560901 /nfs/dbraw/zinc/56/09/01/556560901.db2.gz GQSFATPJVIXCDR-UHFFFAOYSA-N -1 3 442.888 3.285 50 0 IGAAHM CCCC(=O)N1CCC[C@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)C1 ZINC000072311454 556583608 /nfs/dbraw/zinc/58/36/08/556583608.db2.gz YGMBUGBVGBKRPX-INIZCTEOSA-N -1 3 435.952 3.261 50 0 IGAAHM CC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000100563809 556620625 /nfs/dbraw/zinc/62/06/25/556620625.db2.gz SCWKJNHVCPSDBA-FUHWJXTLSA-N -1 3 426.270 3.081 50 0 IGAAHM C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011719704 556644648 /nfs/dbraw/zinc/64/46/48/556644648.db2.gz AXWGMPAKKFMYTI-GFCCVEGCSA-N -1 3 445.969 3.311 50 0 IGAAHM O=c1ccc(-c2ccccc2)nn1CCC[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000011738521 556649335 /nfs/dbraw/zinc/64/93/35/556649335.db2.gz OJAAMICPEXYSCR-UHFFFAOYSA-N -1 3 437.443 3.298 50 0 IGAAHM Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000011858131 556663356 /nfs/dbraw/zinc/66/33/56/556663356.db2.gz OJDUCHFMYZYUEI-UHFFFAOYSA-N -1 3 436.555 3.294 50 0 IGAAHM COc1cc(Cl)c([N-]S(=O)(=O)c2ccc(Cc3cc(C)n[nH]c3=O)cc2)c(OC)c1 ZINC000033026799 556703912 /nfs/dbraw/zinc/70/39/12/556703912.db2.gz KFDYSRIVBRBGFH-UHFFFAOYSA-N -1 3 449.916 3.141 50 0 IGAAHM O=c1ccc(-c2ccc(F)cc2)nn1CCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000013799509 556742843 /nfs/dbraw/zinc/74/28/43/556742843.db2.gz LVJMKGANIWAUKC-UHFFFAOYSA-N -1 3 427.910 3.133 50 0 IGAAHM CCOc1cc(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)cc(OCC)c1OCC ZINC000058314219 556780384 /nfs/dbraw/zinc/78/03/84/556780384.db2.gz GEKYUFLPTPCAAL-UHFFFAOYSA-N -1 3 442.512 3.187 50 0 IGAAHM CCC(NC1CCN(Cc2ccccc2)CC1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000020329357 557007923 /nfs/dbraw/zinc/00/79/23/557007923.db2.gz MIHUWAUVEYUEQO-GHVJWSGMSA-N -1 3 446.551 3.183 50 0 IGAAHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(SCCc4ccccc4)[n-]c(=O)c32)cc1 ZINC000046074299 557030092 /nfs/dbraw/zinc/03/00/92/557030092.db2.gz WPDVRUPJKNZUHT-QGZVFWFLSA-N -1 3 434.521 3.478 50 0 IGAAHM Cc1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)c([O-])c1 ZINC000017410671 557086645 /nfs/dbraw/zinc/08/66/45/557086645.db2.gz IAJHJWHHCXNBMD-UHFFFAOYSA-N -1 3 440.477 3.160 50 0 IGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)cc1 ZINC000000672115 557133176 /nfs/dbraw/zinc/13/31/76/557133176.db2.gz WPSVPQJPAZKXKT-UHFFFAOYSA-N -1 3 426.450 3.477 50 0 IGAAHM O=C(CSc1nc2ccc(I)cc2c(=O)[n-]1)Nc1ccccc1 ZINC000016399726 557150354 /nfs/dbraw/zinc/15/03/54/557150354.db2.gz KOXRZCUBTWPZOK-UHFFFAOYSA-N -1 3 437.262 3.259 50 0 IGAAHM COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCC(C)C)cc(Br)c1[O-] ZINC000000725548 557154322 /nfs/dbraw/zinc/15/43/22/557154322.db2.gz IXEPRGVRSDMYPQ-HNNXBMFYSA-N -1 3 427.295 3.381 50 0 IGAAHM CS(=O)(=O)[N-]c1cc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)ccc1F ZINC000025516035 557212694 /nfs/dbraw/zinc/21/26/94/557212694.db2.gz FPPBHYNPBCQUAF-AWEZNQCLSA-N -1 3 434.493 3.080 50 0 IGAAHM CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000026253605 557238024 /nfs/dbraw/zinc/23/80/24/557238024.db2.gz IWOPCQKBOWNCFC-UHFFFAOYSA-N -1 3 431.440 3.029 50 0 IGAAHM CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000026253605 557238028 /nfs/dbraw/zinc/23/80/28/557238028.db2.gz IWOPCQKBOWNCFC-UHFFFAOYSA-N -1 3 431.440 3.029 50 0 IGAAHM CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000100740578 557273976 /nfs/dbraw/zinc/27/39/76/557273976.db2.gz LMTBZMZAEDRZTF-NVXWUHKLSA-N -1 3 432.263 3.291 50 0 IGAAHM O=c1c(CN2CCN(c3ccc(F)cc3)CC2)coc([O-])c1CN1CCc2ccccc2C1 ZINC000101410154 557283983 /nfs/dbraw/zinc/28/39/83/557283983.db2.gz UTGZFTGQRZQGHF-UHFFFAOYSA-N -1 3 449.526 3.365 50 0 IGAAHM O=c1occ(CN2CCN(c3ccc(F)cc3)CC2)c([O-])c1CN1CCc2ccccc2C1 ZINC000101410154 557283985 /nfs/dbraw/zinc/28/39/85/557283985.db2.gz UTGZFTGQRZQGHF-UHFFFAOYSA-N -1 3 449.526 3.365 50 0 IGAAHM COc1ccccc1OCc1nnc(SCC(=O)Nc2cc(Cl)ccc2[O-])n1C ZINC000013858106 557391500 /nfs/dbraw/zinc/39/15/00/557391500.db2.gz LGMCIXMPFFRSCT-UHFFFAOYSA-N -1 3 434.905 3.493 50 0 IGAAHM CCOC(=O)[C@@H]1CCCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2cccc(OC)c2)C1 ZINC000102896665 557411077 /nfs/dbraw/zinc/41/10/77/557411077.db2.gz CRAKOLVKNRAHQG-CRAIPNDOSA-N -1 3 444.557 3.432 50 0 IGAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccc(F)c(F)c1)Nc1cc(F)cc(F)c1 ZINC000051316805 557465812 /nfs/dbraw/zinc/46/58/12/557465812.db2.gz LADYZIUSRJXCFY-UHFFFAOYSA-N -1 3 449.389 3.396 50 0 IGAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccc(F)c(F)c1)Nc1cc(F)cc(F)c1 ZINC000051316805 557465814 /nfs/dbraw/zinc/46/58/14/557465814.db2.gz LADYZIUSRJXCFY-UHFFFAOYSA-N -1 3 449.389 3.396 50 0 IGAAHM O=C(c1ccc(C(F)(F)F)s1)N1C[C@H]2C[C@@H]1[C@@H]([N-]S(=O)(=O)c1cccs1)C2 ZINC000096095757 557721083 /nfs/dbraw/zinc/72/10/83/557721083.db2.gz GODLQEBCCOGYLJ-OUAUKWLOSA-N -1 3 436.502 3.410 50 0 IGAAHM CCC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1c1ccc(OC)cc1OC ZINC000225517855 557734166 /nfs/dbraw/zinc/73/41/66/557734166.db2.gz CJHABMNVOMOCCJ-LJQANCHMSA-N -1 3 431.514 3.163 50 0 IGAAHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)NCc1cccnc1 ZINC000006244953 562946607 /nfs/dbraw/zinc/94/66/07/562946607.db2.gz KEEQISCBBPIAAF-UHFFFAOYSA-N -1 3 431.901 3.231 50 0 IGAAHM CC[C@H](C)NC(=O)c1cnc2ccc(S(=O)(=O)N(C)c3cc(C)ccc3C)cc2c1[O-] ZINC000009490578 562971989 /nfs/dbraw/zinc/97/19/89/562971989.db2.gz XTZWILAXSNGOHP-INIZCTEOSA-N -1 3 441.553 3.498 50 0 IGAAHM C[C@@H](OC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000084037513 568790075 /nfs/dbraw/zinc/79/00/75/568790075.db2.gz AXAZOMHSJHKDMP-SHACYNPGSA-N -1 3 437.496 3.223 50 0 IGAAHM O=C1c2cccnc2C(=O)N1Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000015720911 568811864 /nfs/dbraw/zinc/81/18/64/568811864.db2.gz IVOYSAMZIHLPLM-UHFFFAOYSA-N -1 3 445.859 3.471 50 0 IGAAHM O=C(CSc1nc(-c2ccccc2)nc2cc(=O)[n-]n21)NCc1ccc(Cl)cc1 ZINC000015732600 568815521 /nfs/dbraw/zinc/81/55/21/568815521.db2.gz QLXMZUODUKMAIV-UHFFFAOYSA-N -1 3 425.901 3.147 50 0 IGAAHM CN1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)[C@H]2C1 ZINC000245328674 568915079 /nfs/dbraw/zinc/91/50/79/568915079.db2.gz WHHQPCWENOZRQK-GCJKJVERSA-N -1 3 442.878 3.265 50 0 IGAAHM Cc1nc(N2CCN(C)CC2)ncc1-c1cc(=O)[n-]c(Nc2ccc(Cl)cc2Cl)n1 ZINC000036235664 568979191 /nfs/dbraw/zinc/97/91/91/568979191.db2.gz TYTMBVVUCGQMRK-UHFFFAOYSA-N -1 3 446.342 3.338 50 0 IGAAHM CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(Cc4cccnc4)CC3)c2c1 ZINC000036357758 569084903 /nfs/dbraw/zinc/08/49/03/569084903.db2.gz QGDPERWLPUBJRQ-JOCHJYFZSA-N -1 3 435.528 3.101 50 0 IGAAHM CC[C@]1(CO)CCCN(C(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)C1 ZINC000170601373 569143150 /nfs/dbraw/zinc/14/31/50/569143150.db2.gz IBOYQIPUYYYNPI-SFHVURJKSA-N -1 3 435.373 3.059 50 0 IGAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NC3CCN(C4CC4)CC3)c2)c1 ZINC000014528370 569159386 /nfs/dbraw/zinc/15/93/86/569159386.db2.gz CZZWMGGKTZYSCI-UHFFFAOYSA-N -1 3 427.570 3.461 50 0 IGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)cc1OC ZINC000017013685 569170699 /nfs/dbraw/zinc/17/06/99/569170699.db2.gz GRQRYGBSWPNDCF-UHFFFAOYSA-N -1 3 443.529 3.413 50 0 IGAAHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CCc1ccc(OC)c(OC)c1 ZINC000016093374 569256940 /nfs/dbraw/zinc/25/69/40/569256940.db2.gz WBMCXUBMLBWWBM-UHFFFAOYSA-N -1 3 444.347 3.386 50 0 IGAAHM CCN(CC)Cc1nc(C2([N-]S(=O)(=O)c3cnc4ccc(F)cc4c3)CCCC2)no1 ZINC000253418750 569266687 /nfs/dbraw/zinc/26/66/87/569266687.db2.gz QXDXGKRJSSXETN-UHFFFAOYSA-N -1 3 447.536 3.347 50 0 IGAAHM O=S(=O)([N-]c1ccc2nc(Cl)sc2c1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000328595993 569317825 /nfs/dbraw/zinc/31/78/25/569317825.db2.gz MQNZJSAKFYQREB-UHFFFAOYSA-N -1 3 443.959 3.290 50 0 IGAAHM Cc1cc(S(=O)(=O)[C@H](C[N-]S(=O)(=O)Cc2ccccc2)c2cccnc2)ccc1F ZINC000019797371 569329633 /nfs/dbraw/zinc/32/96/33/569329633.db2.gz VIYQZGWTPOTDQE-OAQYLSRUSA-N -1 3 448.541 3.164 50 0 IGAAHM COc1cc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)cc(OC)c1O ZINC000096223089 569387382 /nfs/dbraw/zinc/38/73/82/569387382.db2.gz JCJUQJYFDJWLDP-KZULUSFZSA-N -1 3 449.529 3.216 50 0 IGAAHM CCOc1ccccc1N1CCN([C@@H](C(=O)[O-])c2c[nH]c3cc(NC(C)=O)ccc32)CC1 ZINC000032091500 569459587 /nfs/dbraw/zinc/45/95/87/569459587.db2.gz LQNPBGFXUWQBLE-HSZRJFAPSA-N -1 3 436.512 3.473 50 0 IGAAHM COC(=O)c1c([N-]C(=O)c2cc(-c3ccccc3)on2)sc2c1CCN(C(C)=O)C2 ZINC000038805634 569469151 /nfs/dbraw/zinc/46/91/51/569469151.db2.gz JZSNNBUJLOJFST-UHFFFAOYSA-N -1 3 425.466 3.347 50 0 IGAAHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)s2)[C@H]1C ZINC000245276787 569501967 /nfs/dbraw/zinc/50/19/67/569501967.db2.gz WDUHAFHDGZKMDW-DVOMOZLQSA-N -1 3 433.555 3.042 50 0 IGAAHM CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1nnc([N-]C(=O)c2ccccc2F)s1 ZINC000009224664 569513185 /nfs/dbraw/zinc/51/31/85/569513185.db2.gz CJZZRRQHJPBPMT-UHFFFAOYSA-N -1 3 440.909 3.404 50 0 IGAAHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1Cl ZINC000009315539 569522131 /nfs/dbraw/zinc/52/21/31/569522131.db2.gz FLUXSKQLAMACGS-UHFFFAOYSA-N -1 3 444.962 3.073 50 0 IGAAHM O=c1cc(Cc2nnc(SCc3ccccc3Cl)n2-c2ccc(F)cc2)[nH]c(=O)[n-]1 ZINC000009382059 569528225 /nfs/dbraw/zinc/52/82/25/569528225.db2.gz MVXZEHKWFABMQI-UHFFFAOYSA-N -1 3 443.891 3.320 50 0 IGAAHM CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3cccnc3)o2)cc1 ZINC000009428071 569533522 /nfs/dbraw/zinc/53/35/22/569533522.db2.gz BJIXOAIELYVBRO-UHFFFAOYSA-N -1 3 441.513 3.337 50 0 IGAAHM CSCC[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCc1ccc(Cl)cc1 ZINC000009559449 569546946 /nfs/dbraw/zinc/54/69/46/569546946.db2.gz RSPBIEDJLSMSAV-OAHLLOKOSA-N -1 3 433.020 3.160 50 0 IGAAHM O=C(NCc1ccccc1F)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccnc2)c1 ZINC000009754203 569566138 /nfs/dbraw/zinc/56/61/38/569566138.db2.gz UALJRXZESWGPBO-UHFFFAOYSA-N -1 3 433.892 3.283 50 0 IGAAHM O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)OCc1nc2ccsc2c(=O)[n-]1 ZINC000009884345 569572737 /nfs/dbraw/zinc/57/27/37/569572737.db2.gz YUGOANIOUXONSM-UHFFFAOYSA-N -1 3 447.472 3.257 50 0 IGAAHM COc1ccc(NC(=O)C[C@@H](CN2CCN(Cc3cccc(Cl)c3)CC2)C(=O)[O-])cc1 ZINC000071280649 569573631 /nfs/dbraw/zinc/57/36/31/569573631.db2.gz WIASPMYCCVJOGH-SFHVURJKSA-N -1 3 445.947 3.196 50 0 IGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1 ZINC000010077955 569577707 /nfs/dbraw/zinc/57/77/07/569577707.db2.gz NYYIMXGWOXUWOM-UHFFFAOYSA-N -1 3 440.521 3.234 50 0 IGAAHM O=c1nc(CSc2nnnn2C[C@H]2CCCO2)[n-]c2sc(-c3ccccc3)cc21 ZINC000010213424 569579061 /nfs/dbraw/zinc/57/90/61/569579061.db2.gz QSMYRNDYDDKBFF-CYBMUJFWSA-N -1 3 426.527 3.109 50 0 IGAAHM CCN(Cc1nc(=O)c2c(C)c(C(=O)OC(C)C)sc2[n-]1)C[C@H](O)c1ccccc1 ZINC000036206842 569587886 /nfs/dbraw/zinc/58/78/86/569587886.db2.gz DLWJHFBSZDKDOY-INIZCTEOSA-N -1 3 429.542 3.414 50 0 IGAAHM Cc1cccc(N2CCN(C(=O)[C@@H]([N-]S(=O)(=O)c3cccs3)C(C)C)CC2)c1C ZINC000004787526 132274080 /nfs/dbraw/zinc/27/40/80/132274080.db2.gz VFIZFTOAJYWGIS-FQEVSTJZSA-N -1 3 435.615 3.017 50 0 IGAAHM CC(=O)Nc1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000021651527 519724910 /nfs/dbraw/zinc/72/49/10/519724910.db2.gz VNOXLYBJDJQRND-LJQANCHMSA-N -1 3 443.550 3.235 50 0 IGAAHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(S(=O)(=O)CC)CCC3)cc1 ZINC000012180669 520412102 /nfs/dbraw/zinc/41/21/02/520412102.db2.gz IDYNWLMEKSNUDT-UHFFFAOYSA-N -1 3 438.571 3.379 50 0 IGAAHM CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccccc1[O-])n2CC ZINC000012604365 520813216 /nfs/dbraw/zinc/81/32/16/520813216.db2.gz FRHOEDDGLYRESG-UHFFFAOYSA-N -1 3 444.557 3.364 50 0 IGAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)C23C[C@H]4C[C@@H](C2)CC(n2cnc(Cl)n2)(C4)C3)N1 ZINC000035657526 520887945 /nfs/dbraw/zinc/88/79/45/520887945.db2.gz SUUHRRZMSHTKNR-KQNONFBPSA-N -1 3 431.846 3.086 50 0 IGAAHM CCOC(=O)N[C@]([N-]c1sc2c(c1C(=O)OC)CCC2)(C(=O)OCC)C(F)(F)F ZINC000020609103 520993746 /nfs/dbraw/zinc/99/37/46/520993746.db2.gz LZQQHAOPRSUSHV-MRXNPFEDSA-N -1 3 438.424 3.003 50 0 IGAAHM CCCn1c(=O)[n-]nc1SCC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccco1 ZINC000022124009 521614178 /nfs/dbraw/zinc/61/41/78/521614178.db2.gz NJIVRYUJKRTGDJ-KRWDZBQOSA-N -1 3 441.513 3.053 50 0 IGAAHM COc1cc([C@H]2SC([N-]C(C)=O)=NN2C(C)=O)cc(Cl)c1OC(=O)c1ccco1 ZINC000020895828 522968556 /nfs/dbraw/zinc/96/85/56/522968556.db2.gz BVSRPNFXJATQFX-MRXNPFEDSA-N -1 3 437.861 3.162 50 0 IGAAHM COc1cc([C@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OCCOc1ccccc1C ZINC000020895416 522968952 /nfs/dbraw/zinc/96/89/52/522968952.db2.gz AITKNXIUEFKASF-OAQYLSRUSA-N -1 3 443.525 3.462 50 0 IGAAHM COCCCN1CCc2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)[n-]c(=O)c2C1 ZINC000020467820 523305438 /nfs/dbraw/zinc/30/54/38/523305438.db2.gz BVCNAQCNQFRWRU-UHFFFAOYSA-N -1 3 436.965 3.269 50 0 IGAAHM CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)[N-]c2nncs2)c1 ZINC000021214134 523639273 /nfs/dbraw/zinc/63/92/73/523639273.db2.gz JMOCTLYCEGMDPD-UHFFFAOYSA-N -1 3 426.882 3.408 50 0 IGAAHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)N3CCN(C(=O)c4cc(C)oc4C)CC3)c2)n1 ZINC000069484652 523737939 /nfs/dbraw/zinc/73/79/39/523737939.db2.gz MFAZFPUUUIQPFY-UHFFFAOYSA-N -1 3 449.511 3.199 50 0 IGAAHM Cc1cccc(C)c1-n1nnnc1S[C@H](C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000012548495 524244985 /nfs/dbraw/zinc/24/49/85/524244985.db2.gz JGDWHUBEVPPAID-CQSZACIVSA-N -1 3 431.543 3.014 50 0 IGAAHM COc1ccc([N-]S(=O)(=O)c2cc(-c3n[nH]c(=O)c4c3CCCC4)ccc2C)cc1 ZINC000020893887 524686667 /nfs/dbraw/zinc/68/66/67/524686667.db2.gz BEJDUERJPLJXDL-UHFFFAOYSA-N -1 3 425.510 3.434 50 0 IGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC(C)(C)N3CCCCC3)cc2)cc1 ZINC000012585306 524689599 /nfs/dbraw/zinc/68/95/99/524689599.db2.gz NEMMLGFDCVCHPG-UHFFFAOYSA-N -1 3 445.585 3.490 50 0 IGAAHM Cc1nc(-c2csc(S(=O)(=O)[N-]Cc3cccnc3)c2)sc1C(=O)N1CCCC1 ZINC000035527919 526624475 /nfs/dbraw/zinc/62/44/75/526624475.db2.gz HGQIRQZVUZZNIY-UHFFFAOYSA-N -1 3 448.595 3.290 50 0 IGAAHM Cc1nc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)nn1-c1ccc(Cl)cc1 ZINC000012926734 526637461 /nfs/dbraw/zinc/63/74/61/526637461.db2.gz QANBITHTGPCRCS-UHFFFAOYSA-N -1 3 439.903 3.426 50 0 IGAAHM O=C(CN1CCC(C(=O)Nc2ccccc2[O-])CC1)Nc1ccccc1Br ZINC000012795385 526726295 /nfs/dbraw/zinc/72/62/95/526726295.db2.gz LMOKCGSJHLEFKX-UHFFFAOYSA-N -1 3 432.318 3.444 50 0 IGAAHM NC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1 ZINC000015019292 527090783 /nfs/dbraw/zinc/09/07/83/527090783.db2.gz DAQCMYWJGJMZIL-UHFFFAOYSA-N -1 3 445.504 3.470 50 0 IGAAHM O=S(=O)([N-]C1CCN(c2nn3cc(-c4ccccc4)nc3s2)CC1)c1cccs1 ZINC000012519974 527210263 /nfs/dbraw/zinc/21/02/63/527210263.db2.gz NCPOJVFTQNIISE-UHFFFAOYSA-N -1 3 445.595 3.467 50 0 IGAAHM O=S(=O)([N-]c1cc(-n2cccc2)ccc1F)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000058185256 527244664 /nfs/dbraw/zinc/24/46/64/527244664.db2.gz RWPNACLQZKGBCI-UHFFFAOYSA-N -1 3 449.529 3.202 50 0 IGAAHM CCOC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1 ZINC000001119362 555636371 /nfs/dbraw/zinc/63/63/71/555636371.db2.gz PIMCIELUKVDHPL-UHFFFAOYSA-N -1 3 432.267 3.331 50 0 IGAAHM O=c1[n-]c(CN2CCC(c3nc(-c4ccccn4)no3)CC2)nc2c3ccccc3oc21 ZINC000110443277 555946049 /nfs/dbraw/zinc/94/60/49/555946049.db2.gz BZLLVUDEWHNRGR-UHFFFAOYSA-N -1 3 428.452 3.494 50 0 IGAAHM O=C(O[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1sccc1S(=O)(=O)[N-]C1CC1 ZINC000010566965 556069694 /nfs/dbraw/zinc/06/96/94/556069694.db2.gz BLXLNRLFDACRAT-GOSISDBHSA-N -1 3 448.566 3.099 50 0 IGAAHM C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[N-]c3nnc(-c4cccs4)o3)cc2)C1 ZINC000002723561 556128772 /nfs/dbraw/zinc/12/87/72/556128772.db2.gz QWQLUXQKGHABPZ-CYBMUJFWSA-N -1 3 432.527 3.471 50 0 IGAAHM Cc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccc(Cl)cc3Cl)C2)cc1 ZINC000008927416 556234753 /nfs/dbraw/zinc/23/47/53/556234753.db2.gz RFAIDKQMVYBOCQ-CQSZACIVSA-N -1 3 449.290 3.221 50 0 IGAAHM Cn1c(SCC(=O)NC2CCCCC2)nnc1-c1cc(Br)ccc1[O-] ZINC000009235302 556263543 /nfs/dbraw/zinc/26/35/43/556263543.db2.gz CLJOYEKGDYXZMW-UHFFFAOYSA-N -1 3 425.352 3.491 50 0 IGAAHM CC(C)c1cccc(N2C[C@@H](C(=O)Nc3ccc(F)c([N-]S(C)(=O)=O)c3)CC2=O)c1 ZINC000032760404 556320572 /nfs/dbraw/zinc/32/05/72/556320572.db2.gz HXJJDDKKAVKYEA-HNNXBMFYSA-N -1 3 433.505 3.312 50 0 IGAAHM CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000014109377 556369116 /nfs/dbraw/zinc/36/91/16/556369116.db2.gz JIFUBSWKAGDNBC-AWEZNQCLSA-N -1 3 433.493 3.431 50 0 IGAAHM Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@@H](C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032672126 556414853 /nfs/dbraw/zinc/41/48/53/556414853.db2.gz BLWXXRHAMWVHAG-INIZCTEOSA-N -1 3 441.509 3.289 50 0 IGAAHM CSCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(C)cc1[O-] ZINC000032721151 556529126 /nfs/dbraw/zinc/52/91/26/556529126.db2.gz COIMPJLOCSZBEZ-INIZCTEOSA-N -1 3 428.963 3.393 50 0 IGAAHM O=C(Nc1ccccc1[O-])C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000032719881 556538569 /nfs/dbraw/zinc/53/85/69/556538569.db2.gz BTLHBHCNPZYXSZ-UHFFFAOYSA-N -1 3 428.432 3.450 50 0 IGAAHM O=C(Nc1cc(F)cc(F)c1)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1 ZINC000016305472 556599146 /nfs/dbraw/zinc/59/91/46/556599146.db2.gz HSZBWVRVJBCUCP-OAHLLOKOSA-N -1 3 430.860 3.328 50 0 IGAAHM CCN(CC)C(=O)[C@H]1CCCN(Cc2cc(I)c([O-])c(OC)c2)C1 ZINC000016662945 556621273 /nfs/dbraw/zinc/62/12/73/556621273.db2.gz UJDNIAVEGBLNDR-AWEZNQCLSA-N -1 3 446.329 3.086 50 0 IGAAHM C[C@@H](C(=O)Nc1ccc(Cl)cc1F)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011719715 556644724 /nfs/dbraw/zinc/64/47/24/556644724.db2.gz KLQBHUOLCDXTEI-LBPRGKRZSA-N -1 3 445.969 3.311 50 0 IGAAHM COC(=O)c1ccc(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000016942202 556649678 /nfs/dbraw/zinc/64/96/78/556649678.db2.gz JAVJPRNRDVTAIR-UHFFFAOYSA-N -1 3 435.465 3.039 50 0 IGAAHM CC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000100740483 556659635 /nfs/dbraw/zinc/65/96/35/556659635.db2.gz CWNCITDUXXKSFA-RDJZCZTQSA-N -1 3 446.688 3.426 50 0 IGAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(N3CCOCC3)cc1)ON(c1ccccc1)[C@H]2c1ccco1 ZINC000136458203 556689628 /nfs/dbraw/zinc/68/96/28/556689628.db2.gz MRJZHFXLXKCAMK-RJGXRXQPSA-N -1 3 445.475 3.167 50 0 IGAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)CC)[C@@H](c2ccc(C)cc2)C1 ZINC000072314494 556701711 /nfs/dbraw/zinc/70/17/11/556701711.db2.gz NSWWJHOGXJLQNH-HXUWFJFHSA-N -1 3 435.571 3.257 50 0 IGAAHM CCOC(=O)[C@@H]1CCc2sc([N-]C(=O)c3coc(NC(=O)c4ccccc4)n3)nc21 ZINC000062023013 556766589 /nfs/dbraw/zinc/76/65/89/556766589.db2.gz XELBGQFLZLELOF-GFCCVEGCSA-N -1 3 426.454 3.229 50 0 IGAAHM C[C@@H](NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1)c1ccc(F)c(F)c1 ZINC000025056035 557192177 /nfs/dbraw/zinc/19/21/77/557192177.db2.gz AURVOTBNHCKZOT-GFCCVEGCSA-N -1 3 429.514 3.240 50 0 IGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cc(C)cc(C)c1N(CCc1ccccc1)C2=O ZINC000011666854 557301203 /nfs/dbraw/zinc/30/12/03/557301203.db2.gz LHJOUKITYDQGGO-HSZRJFAPSA-N -1 3 436.537 3.048 50 0 IGAAHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3CC(=O)N2CCCC2)c1 ZINC000033129706 557324935 /nfs/dbraw/zinc/32/49/35/557324935.db2.gz JQCFFELCCCQMFA-UHFFFAOYSA-N -1 3 443.569 3.216 50 0 IGAAHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CN3CCOCC3)cc2)cc1 ZINC000023370919 557351786 /nfs/dbraw/zinc/35/17/86/557351786.db2.gz VYICUGQJKZSDBR-UHFFFAOYSA-N -1 3 431.558 3.056 50 0 IGAAHM O=C([N-]c1nnc(Cc2cccs2)o1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000011694633 557392686 /nfs/dbraw/zinc/39/26/86/557392686.db2.gz AKXMLIASVNMPPF-UHFFFAOYSA-N -1 3 432.527 3.149 50 0 IGAAHM CCOc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1S(=O)(=O)N(C)C ZINC000014868000 557514258 /nfs/dbraw/zinc/51/42/58/557514258.db2.gz DDMUBWOJNPDWKE-UHFFFAOYSA-N -1 3 426.560 3.062 50 0 IGAAHM COc1cc(Cl)c(NC(=O)[C@@H]([N-]S(=O)(=O)c2cccs2)C(C)C)c(OC)c1 ZINC000008609123 562957615 /nfs/dbraw/zinc/95/76/15/562957615.db2.gz KIZUHZOIQJDITQ-HNNXBMFYSA-N -1 3 432.951 3.360 50 0 IGAAHM COc1ccc(F)cc1S(=O)(=O)[N-]CC1CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000043959254 568744501 /nfs/dbraw/zinc/74/45/01/568744501.db2.gz ZIFPSDIPVJLCHV-UHFFFAOYSA-N -1 3 446.500 3.411 50 0 IGAAHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)s2)[C@@H]1C ZINC000015720790 568811523 /nfs/dbraw/zinc/81/15/23/568811523.db2.gz WDUHAFHDGZKMDW-IOASZLSFSA-N -1 3 433.555 3.042 50 0 IGAAHM Cn1cc(-c2cccs2)nc1CC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000090606980 568889774 /nfs/dbraw/zinc/88/97/74/568889774.db2.gz HOTSIKKROGAKSZ-UHFFFAOYSA-N -1 3 432.390 3.494 50 0 IGAAHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccc2c(c1)CCO2 ZINC000090607263 568889853 /nfs/dbraw/zinc/88/98/53/568889853.db2.gz HMNJQGVMHFHNGQ-CYBMUJFWSA-N -1 3 431.377 3.027 50 0 IGAAHM COCC[N-]S(=O)(=O)c1ccc(-c2ccc(C(=O)NCc3ccccc3)cc2)s1 ZINC000064999740 569086284 /nfs/dbraw/zinc/08/62/84/569086284.db2.gz INJCFMZVRXZGGP-UHFFFAOYSA-N -1 3 430.551 3.270 50 0 IGAAHM COc1ccc(-c2nc3c(c(=O)[n-]2)CCN(C(=O)Cc2c(F)cccc2Cl)C3)cc1 ZINC000065260282 569124087 /nfs/dbraw/zinc/12/40/87/569124087.db2.gz UVCLKLYSSZIAQZ-UHFFFAOYSA-N -1 3 427.863 3.365 50 0 IGAAHM CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)cc(Br)c1[O-] ZINC000002335559 569274764 /nfs/dbraw/zinc/27/47/64/569274764.db2.gz LZMYBVPWHNODIH-MRXNPFEDSA-N -1 3 438.347 3.457 50 0 IGAAHM COc1cccc(CNC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)c1 ZINC000012980939 569305800 /nfs/dbraw/zinc/30/58/00/569305800.db2.gz SYNIYZYNRNSDAC-UHFFFAOYSA-N -1 3 429.325 3.373 50 0 IGAAHM CSCc1nnc([N-]C(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)o1 ZINC000002457020 569314506 /nfs/dbraw/zinc/31/45/06/569314506.db2.gz GNMCTPUYDKHOQW-UHFFFAOYSA-N -1 3 444.538 3.326 50 0 IGAAHM CCOC(=O)C1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccc(OC)cc2)CC1 ZINC000020216010 569356700 /nfs/dbraw/zinc/35/67/00/569356700.db2.gz ZCMCOIKDSVKAGV-KRWDZBQOSA-N -1 3 430.530 3.178 50 0 IGAAHM CCCCN(C)CCNC(=O)CCCCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3 ZINC000020644393 569374845 /nfs/dbraw/zinc/37/48/45/569374845.db2.gz BTAKWAKEILTQNJ-UHFFFAOYSA-N -1 3 448.589 3.196 50 0 IGAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2cc3ccccc3[nH]c2=O)CCO1 ZINC000096117901 569384237 /nfs/dbraw/zinc/38/42/37/569384237.db2.gz JVJXDWSPQNNGNE-UGSOOPFHSA-N -1 3 440.525 3.335 50 0 IGAAHM COc1cc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)cc(OC)c1O ZINC000096223091 569387294 /nfs/dbraw/zinc/38/72/94/569387294.db2.gz JCJUQJYFDJWLDP-KPZWWZAWSA-N -1 3 449.529 3.216 50 0 IGAAHM COc1ccc(Cl)c2c(=O)c3c([n-]c12)CCN(CC(=O)NCc1ccc(F)cc1)C3 ZINC000096326889 569396055 /nfs/dbraw/zinc/39/60/55/569396055.db2.gz YWOBWTZIGVIIJI-UHFFFAOYSA-N -1 3 429.879 3.416 50 0 IGAAHM COc1ccc(C)cc1-n1nnnc1SCc1nc(=O)c2c(C)c(C(C)=O)sc2[n-]1 ZINC000003353409 569447496 /nfs/dbraw/zinc/44/74/96/569447496.db2.gz PYGHLNUDYGMWBK-UHFFFAOYSA-N -1 3 442.526 3.081 50 0 IGAAHM CCOc1ccc(NC(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1OCC ZINC000031032450 569452707 /nfs/dbraw/zinc/45/27/07/569452707.db2.gz SUVLKBPKSREBRU-UHFFFAOYSA-N -1 3 428.457 3.069 50 0 IGAAHM CCOc1ccc(CN(C)Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)cc1OC ZINC000003540021 569453550 /nfs/dbraw/zinc/45/35/50/569453550.db2.gz QFAITJUHAQSHIF-UHFFFAOYSA-N -1 3 431.514 3.119 50 0 IGAAHM CCOc1ncccc1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000032017432 569458856 /nfs/dbraw/zinc/45/88/56/569458856.db2.gz XNRFLNWCJCMXES-UHFFFAOYSA-N -1 3 429.473 3.350 50 0 IGAAHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N3CCC[C@H]3c3ccc(OC)cc3)cc(C(C)C)nc21 ZINC000032452736 569461737 /nfs/dbraw/zinc/46/17/37/569461737.db2.gz LNXIMSWWQSXCOM-IBGZPJMESA-N -1 3 436.512 3.214 50 0 IGAAHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)C(=O)NCC)c2)cc1 ZINC000008720259 569471593 /nfs/dbraw/zinc/47/15/93/569471593.db2.gz LIDZSQHLYUWUNT-QGZVFWFLSA-N -1 3 445.585 3.393 50 0 IGAAHM O=S(=O)([N-]C[C@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1)c1cccs1 ZINC000008968191 569491826 /nfs/dbraw/zinc/49/18/26/569491826.db2.gz DOTNLRLEGUPLBS-CQSZACIVSA-N -1 3 431.557 3.442 50 0 IGAAHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)Oc3ccc(CCOC)cc3)cc(C(C)C)nc21 ZINC000040153306 569493567 /nfs/dbraw/zinc/49/35/67/569493567.db2.gz HFZXBTKUVNEXLJ-UHFFFAOYSA-N -1 3 425.485 3.026 50 0 IGAAHM Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000040154524 569493729 /nfs/dbraw/zinc/49/37/29/569493729.db2.gz AIGNGSUVOXSGAY-CQSZACIVSA-N -1 3 433.940 3.074 50 0 IGAAHM CCOc1ccc(N2C[C@@H](C[N-]S(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1 ZINC000009036160 569497350 /nfs/dbraw/zinc/49/73/50/569497350.db2.gz WMEWRRWWQMGEQN-CQSZACIVSA-N -1 3 442.459 3.436 50 0 IGAAHM O=c1cc(Cc2nnc(SCc3cccc(F)c3)n2-c2ccc(Cl)cc2)[nH]c(=O)[n-]1 ZINC000009382094 569528214 /nfs/dbraw/zinc/52/82/14/569528214.db2.gz RPGPHLZWFJJSRH-UHFFFAOYSA-N -1 3 443.891 3.320 50 0 IGAAHM O=c1cc(CSc2nc3n[n-]cc3c(=O)n2-c2ccccc2Cl)nc2ccccn12 ZINC000009490627 569540223 /nfs/dbraw/zinc/54/02/23/569540223.db2.gz ZSQNFKSVZNYMME-UHFFFAOYSA-N -1 3 436.884 3.062 50 0 IGAAHM O=c1cc(CSc2nc3[n-]ncc3c(=O)n2-c2ccccc2Cl)nc2ccccn12 ZINC000009490627 569540224 /nfs/dbraw/zinc/54/02/24/569540224.db2.gz ZSQNFKSVZNYMME-UHFFFAOYSA-N -1 3 436.884 3.062 50 0 IGAAHM Cc1cc(NC(=O)CN2CCC(C(=O)Nc3ccccc3[O-])CC2)n(-c2ccccc2)n1 ZINC000009501061 569541619 /nfs/dbraw/zinc/54/16/19/569541619.db2.gz PECOXDQXQIFTOS-UHFFFAOYSA-N -1 3 433.512 3.176 50 0 IGAAHM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)NCc1ccccc1Cl ZINC000009621879 569553457 /nfs/dbraw/zinc/55/34/57/569553457.db2.gz QJPNBGQWVOZUHG-UHFFFAOYSA-N -1 3 425.901 3.171 50 0 IGAAHM O=c1ccc(-c2ccc(Cl)cc2)nn1CC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000009661062 569556979 /nfs/dbraw/zinc/55/69/79/569556979.db2.gz DVCKNRWAHOMPDT-UHFFFAOYSA-N -1 3 430.338 3.257 50 0 IGAAHM Cc1nn(C)c(C)c1CN(C)C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000071279902 569573527 /nfs/dbraw/zinc/57/35/27/569573527.db2.gz YDLOAGMPHSVHKW-CQSZACIVSA-N -1 3 426.439 3.217 50 0 IGAAHM O=c1nc(CSc2nnnn2C[C@@H]2CCCO2)[n-]c2sc(-c3ccccc3)cc21 ZINC000010213420 569579040 /nfs/dbraw/zinc/57/90/40/569579040.db2.gz QSMYRNDYDDKBFF-ZDUSSCGKSA-N -1 3 426.527 3.109 50 0 IGAAHM Cc1ccc(-n2ncc3c2ncn([N-]C(=O)COc2ccc(Cl)cc2Cl)c3=O)cc1 ZINC000010251555 569579842 /nfs/dbraw/zinc/57/98/42/569579842.db2.gz BOYDIOIVIOAXON-UHFFFAOYSA-N -1 3 444.278 3.347 50 0 IGAAHM CS(=O)(=O)N1CCCc2cc(C(=O)CSc3n[n-]c(-c4cccs4)n3)ccc21 ZINC000008941363 132298493 /nfs/dbraw/zinc/29/84/93/132298493.db2.gz WGRFIEQKKAXCCC-UHFFFAOYSA-N -1 3 434.568 3.220 50 0 IGAAHM CSCc1nc(=O)c2c(C)c(C(=O)OCC(=O)N3CCCc4ccccc43)sc2[n-]1 ZINC000009244466 132310429 /nfs/dbraw/zinc/31/04/29/132310429.db2.gz CPRKCTMAUXXSKU-UHFFFAOYSA-N -1 3 443.550 3.292 50 0 IGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cc(Cl)ccc1N(Cc1ccccc1)C2=O ZINC000012379487 519644023 /nfs/dbraw/zinc/64/40/23/519644023.db2.gz SNLBTRLAWGNBAH-FQEVSTJZSA-N -1 3 428.901 3.042 50 0 IGAAHM CCOC(=O)N[C@@]([N-]c1sc2c(c1C(=O)OC)CCC2)(C(=O)OCC)C(F)(F)F ZINC000020609102 520991487 /nfs/dbraw/zinc/99/14/87/520991487.db2.gz LZQQHAOPRSUSHV-INIZCTEOSA-N -1 3 438.424 3.003 50 0 IGAAHM CCC(=O)Nc1ccc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000021682426 521199493 /nfs/dbraw/zinc/19/94/93/521199493.db2.gz BEZLGKWJRXUAMA-UHFFFAOYSA-N -1 3 444.340 3.050 50 0 IGAAHM CNC(=O)[C@H]1CN(Cc2nc(=O)c3c(-c4cccs4)csc3[n-]2)c2ccccc2O1 ZINC000012562270 521771448 /nfs/dbraw/zinc/77/14/48/521771448.db2.gz AJXXZWDIEJDFBJ-OAHLLOKOSA-N -1 3 438.534 3.227 50 0 IGAAHM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)NCC2(N3CCOCC3)CCCCC2)c1 ZINC000022411173 524115798 /nfs/dbraw/zinc/11/57/98/524115798.db2.gz ZKYBZABGWXMQDC-UHFFFAOYSA-N -1 3 429.590 3.067 50 0 IGAAHM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccco3)N(C)C)c2)c1 ZINC000012526310 524692433 /nfs/dbraw/zinc/69/24/33/524692433.db2.gz GJKRXFQKUYBUCT-HXUWFJFHSA-N -1 3 427.526 3.422 50 0 IGAAHM CSCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccn1 ZINC000021893663 525595240 /nfs/dbraw/zinc/59/52/40/525595240.db2.gz YJDOGIMYTUZDTO-AWEZNQCLSA-N -1 3 434.370 3.427 50 0 IGAAHM O=C(CSCn1nnc2c1nc(Cc1ccc(F)cc1)[n-]c2=O)Nc1ccc(F)cc1 ZINC000020443903 527031539 /nfs/dbraw/zinc/03/15/39/527031539.db2.gz KMFSJKVQYWBAJC-UHFFFAOYSA-N -1 3 442.451 3.125 50 0 IGAAHM O=S(=O)([N-]CCSCc1ccco1)c1cc(S(=O)(=O)c2ccccc2)cs1 ZINC000012367393 527219134 /nfs/dbraw/zinc/21/91/34/527219134.db2.gz RPJARBYWENQRDX-UHFFFAOYSA-N -1 3 443.593 3.386 50 0 IGAAHM O=C(Nc1ccccc1N1CCCC1=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000012919636 527426106 /nfs/dbraw/zinc/42/61/06/527426106.db2.gz JWMJIJQGDIYEKB-UHFFFAOYSA-N -1 3 433.917 3.160 50 0 IGAAHM CN(Cc1ccccc1)S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC000000691972 555541992 /nfs/dbraw/zinc/54/19/92/555541992.db2.gz AJHIOSCDEIVDRC-UHFFFAOYSA-N -1 3 430.551 3.449 50 0 IGAAHM COc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccc([O-])cc2)C3=O)cc1 ZINC000000991345 555596607 /nfs/dbraw/zinc/59/66/07/555596607.db2.gz MFAFZYVVRIUNOY-UHFFFAOYSA-N -1 3 431.400 3.241 50 0 IGAAHM COc1ccccc1CC[N-]S(=O)(=O)[C@H]1CON(C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000034739089 555890921 /nfs/dbraw/zinc/89/09/21/555890921.db2.gz QXQCYZHFQNVJBP-VXKWHMMOSA-N -1 3 432.586 3.442 50 0 IGAAHM Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1cc(C(F)(F)F)nn1C)CC[C@@H](C)C3 ZINC000002779065 556141346 /nfs/dbraw/zinc/14/13/46/556141346.db2.gz CFWDGYSWWCQHLI-MRVPVSSYSA-N -1 3 425.436 3.027 50 0 IGAAHM Cc1c(Br)cnn1Cc1n[n-]c(=S)n1-c1cnn(Cc2ccccc2)c1 ZINC000002809498 556147008 /nfs/dbraw/zinc/14/70/08/556147008.db2.gz KUPXRKWIUPAGNK-UHFFFAOYSA-N -1 3 430.335 3.117 50 0 IGAAHM CCSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000008443445 556178388 /nfs/dbraw/zinc/17/83/88/556178388.db2.gz HCJQPLWOMYAYDA-CQSZACIVSA-N -1 3 445.335 3.088 50 0 IGAAHM CCn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1ccccc1[O-] ZINC000009236640 556264100 /nfs/dbraw/zinc/26/41/00/556264100.db2.gz GZVXTNVYYMAUGL-UHFFFAOYSA-N -1 3 439.541 3.238 50 0 IGAAHM Cn1c(CCCNC(=O)c2ccc(F)c(Cl)c2)nc2cc([N-]S(C)(=O)=O)ccc21 ZINC000013726350 556293281 /nfs/dbraw/zinc/29/32/81/556293281.db2.gz RBRJSRTVRRKVBG-UHFFFAOYSA-N -1 3 438.912 3.100 50 0 IGAAHM Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@H](C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032672124 556414726 /nfs/dbraw/zinc/41/47/26/556414726.db2.gz BLWXXRHAMWVHAG-MRXNPFEDSA-N -1 3 441.509 3.289 50 0 IGAAHM C[C@@H](NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1)c1ccc(F)cc1F ZINC000012971788 556418833 /nfs/dbraw/zinc/41/88/33/556418833.db2.gz XFVQVMDXIRXQAX-GFCCVEGCSA-N -1 3 429.514 3.240 50 0 IGAAHM Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CSc1nc2sccc2c(=O)[n-]1 ZINC000032858451 556434847 /nfs/dbraw/zinc/43/48/47/556434847.db2.gz NNKVCCVZWSLTRE-UHFFFAOYSA-N -1 3 439.566 3.255 50 0 IGAAHM COc1ccc(Br)cc1CN1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000032865326 556450497 /nfs/dbraw/zinc/45/04/97/556450497.db2.gz KFQLDDWYZQUDCQ-UHFFFAOYSA-N -1 3 445.404 3.462 50 0 IGAAHM CCOc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000072276956 556456966 /nfs/dbraw/zinc/45/69/66/556456966.db2.gz NXZYUTQEQFNRJV-SFHVURJKSA-N -1 3 433.921 3.445 50 0 IGAAHM CCOc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000072276956 556456969 /nfs/dbraw/zinc/45/69/69/556456969.db2.gz NXZYUTQEQFNRJV-SFHVURJKSA-N -1 3 433.921 3.445 50 0 IGAAHM COC(=O)c1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000032899960 556531913 /nfs/dbraw/zinc/53/19/13/556531913.db2.gz XASBYLVBNSQYHC-UHFFFAOYSA-N -1 3 428.510 3.039 50 0 IGAAHM CCCCc1ccc(NC(=O)CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000015517019 556532569 /nfs/dbraw/zinc/53/25/69/556532569.db2.gz PDXGNAZCLKIGLT-UHFFFAOYSA-N -1 3 435.615 3.472 50 0 IGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC[C@H]4CCCO4)CC3)cc2)cc1C ZINC000033115302 556554678 /nfs/dbraw/zinc/55/46/78/556554678.db2.gz HUVVFUFYBKXZQD-HXUWFJFHSA-N -1 3 428.554 3.431 50 0 IGAAHM Cc1nc(N2CCN(C)CC2)ncc1-c1cc(=O)[n-]c(Nc2cccc(C(F)(F)F)c2)n1 ZINC000036235648 556595047 /nfs/dbraw/zinc/59/50/47/556595047.db2.gz JNNACVUCZVREMW-UHFFFAOYSA-N -1 3 445.449 3.050 50 0 IGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1I ZINC000016448455 556608697 /nfs/dbraw/zinc/60/86/97/556608697.db2.gz MNKMZUJNOVXRCC-UHFFFAOYSA-N -1 3 425.194 3.379 50 0 IGAAHM C[C@H](C(=O)Nc1ccc(F)cc1Cl)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011718290 556644368 /nfs/dbraw/zinc/64/43/68/556644368.db2.gz MPAOIDGZLVFLHV-GFCCVEGCSA-N -1 3 445.969 3.311 50 0 IGAAHM O=S(=O)([N-]CCNc1ccc(Nc2cccnc2)nn1)c1ccccc1C(F)(F)F ZINC000011796907 556657188 /nfs/dbraw/zinc/65/71/88/556657188.db2.gz APJNHRNGXGDTDB-UHFFFAOYSA-N -1 3 438.435 3.024 50 0 IGAAHM COC(=O)[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)c1ccccc1 ZINC000072313087 556688442 /nfs/dbraw/zinc/68/84/42/556688442.db2.gz WAQHSNRGLBTOSL-ZBEGNZNMSA-N -1 3 430.295 3.417 50 0 IGAAHM COc1ccc(Cl)cc1NC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1cccs1 ZINC000002498805 556761415 /nfs/dbraw/zinc/76/14/15/556761415.db2.gz NFAAYIMRWJRPAH-LBPRGKRZSA-N -1 3 434.992 3.449 50 0 IGAAHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)OCc1cnn(-c2ccccc2)c1 ZINC000023076869 556995687 /nfs/dbraw/zinc/99/56/87/556995687.db2.gz FOLKWVYDNHWWEO-UHFFFAOYSA-N -1 3 440.308 3.201 50 0 IGAAHM COc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)cc1 ZINC000046074652 557031167 /nfs/dbraw/zinc/03/11/67/557031167.db2.gz DZAOLBRFEAIZJR-INIZCTEOSA-N -1 3 436.493 3.135 50 0 IGAAHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc[n+]([O-])c3)ccc2C)cc1 ZINC000048247842 557047955 /nfs/dbraw/zinc/04/79/55/557047955.db2.gz HIEYATZUNZBFFT-UHFFFAOYSA-N -1 3 427.482 3.080 50 0 IGAAHM C[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)c1ccccc1Br ZINC000024626151 557077118 /nfs/dbraw/zinc/07/71/18/557077118.db2.gz VWANFJRHEPRNCU-NEPJUHHUSA-N -1 3 429.311 3.132 50 0 IGAAHM CC(C)NC(=O)CN1CCN(Cn2nc(-c3cc(Cl)ccc3Cl)[n-]c2=S)CC1 ZINC000023257150 557079548 /nfs/dbraw/zinc/07/95/48/557079548.db2.gz NVAMVFLBTWJPBD-UHFFFAOYSA-N -1 3 443.404 3.014 50 0 IGAAHM CC(C)(C)c1ccccc1OCC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011451406 557150076 /nfs/dbraw/zinc/15/00/76/557150076.db2.gz HKWBYKFKLYOQCV-UHFFFAOYSA-N -1 3 436.599 3.394 50 0 IGAAHM Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000024893254 557177307 /nfs/dbraw/zinc/17/73/07/557177307.db2.gz XUGHVNAFXZPZRO-UHFFFAOYSA-N -1 3 437.525 3.442 50 0 IGAAHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)ccc1Cl ZINC000025846830 557228420 /nfs/dbraw/zinc/22/84/20/557228420.db2.gz JBNSXRPEULWTGD-UHFFFAOYSA-N -1 3 432.933 3.144 50 0 IGAAHM COc1ccc(NCc2cc(=O)n3nc(NCc4ccccc4Cl)[n-]c3n2)c(OC)c1 ZINC000101796240 557298577 /nfs/dbraw/zinc/29/85/77/557298577.db2.gz WPCRTYOWGQDWRE-UHFFFAOYSA-N -1 3 440.891 3.312 50 0 IGAAHM CCCn1nc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)ccc1=O ZINC000023690930 557371422 /nfs/dbraw/zinc/37/14/22/557371422.db2.gz ZDZMNTFJGVTHPN-UHFFFAOYSA-N -1 3 440.525 3.323 50 0 IGAAHM CCCCN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(Cc3cccs3)o2)cc1 ZINC000011694659 557392994 /nfs/dbraw/zinc/39/29/94/557392994.db2.gz VJLFUQHBHDUDJS-UHFFFAOYSA-N -1 3 434.543 3.395 50 0 IGAAHM C[C@]1(c2ccc(CNC(=O)c3ccccc3C(=O)c3ccc(F)cc3)cc2)NC(=O)[N-]C1=O ZINC000225532919 557737776 /nfs/dbraw/zinc/73/77/76/557737776.db2.gz HGBSNDXHECLAIN-RUZDIDTESA-N -1 3 445.450 3.041 50 0 IGAAHM Cc1ccccc1NC(=O)CSCn1nnc2c1nc(Cc1ccc(F)cc1)[n-]c2=O ZINC000008612580 562959238 /nfs/dbraw/zinc/95/92/38/562959238.db2.gz GZOIQXSVKAKSOZ-UHFFFAOYSA-N -1 3 438.488 3.295 50 0 IGAAHM Cc1ccccc1-c1nc2cc(=O)[n-]n2c(SCC(=O)N2CCc3ccccc3C2)n1 ZINC000015732604 568815484 /nfs/dbraw/zinc/81/54/84/568815484.db2.gz RNOLYOZIVZRHNR-UHFFFAOYSA-N -1 3 431.521 3.070 50 0 IGAAHM O=S(=O)([N-]Cc1ccc2c(c1)OCO2)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1 ZINC000085664663 568833835 /nfs/dbraw/zinc/83/38/35/568833835.db2.gz MNMJYCLMHIQWPJ-UHFFFAOYSA-N -1 3 431.417 3.364 50 0 IGAAHM CC[C@H](C)NC(=O)c1cnc2ccc(S(=O)(=O)N(C)c3ccccc3C)cc2c1[O-] ZINC000006181301 568868193 /nfs/dbraw/zinc/86/81/93/568868193.db2.gz AZVCQQXBUCEKHO-HNNXBMFYSA-N -1 3 427.526 3.190 50 0 IGAAHM CCN1CCN(c2ccc(NS(=O)(=O)c3cccc(Cl)c3C)cc2C(=O)[O-])CC1 ZINC000064580600 568934369 /nfs/dbraw/zinc/93/43/69/568934369.db2.gz CQHCNRMJJZBMGT-UHFFFAOYSA-N -1 3 437.949 3.289 50 0 IGAAHM CCOC(=O)C1CCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc(OC)cc2)CC1 ZINC000016690087 568938544 /nfs/dbraw/zinc/93/85/44/568938544.db2.gz MRVDSZGZVJSVBX-GOSISDBHSA-N -1 3 444.557 3.432 50 0 IGAAHM CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(CCc4ccncc4)CC3)c2c1 ZINC000036358844 569085419 /nfs/dbraw/zinc/08/54/19/569085419.db2.gz NXMBMAHOQVRNIS-HSZRJFAPSA-N -1 3 449.555 3.143 50 0 IGAAHM C[C@@H](C[N-]S(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCC3)o2)cs1)c1ccccc1 ZINC000065098844 569104407 /nfs/dbraw/zinc/10/44/07/569104407.db2.gz IAHPFMXCQMJWQW-AWEZNQCLSA-N -1 3 446.554 3.116 50 0 IGAAHM Cc1nc(-c2csc(S(=O)(=O)[N-]Cc3ccco3)c2)sc1C(=O)N1CCCC1 ZINC000065116900 569107526 /nfs/dbraw/zinc/10/75/26/569107526.db2.gz DYDAMFKRPRZJJR-UHFFFAOYSA-N -1 3 437.568 3.488 50 0 IGAAHM Cc1ccc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000065318812 569134475 /nfs/dbraw/zinc/13/44/75/569134475.db2.gz MMUIFYRXEFRYBG-UHFFFAOYSA-N -1 3 448.451 3.360 50 0 IGAAHM Cc1ccc(-c2cc(C(=O)N3CCC([N-]S(=O)(=O)c4cccs4)CC3)[nH]n2)cc1 ZINC000009756480 569149033 /nfs/dbraw/zinc/14/90/33/569149033.db2.gz HNPSQARSGJWPHL-UHFFFAOYSA-N -1 3 430.555 3.030 50 0 IGAAHM Cc1cc([N-]C(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)on1 ZINC000014142516 569157909 /nfs/dbraw/zinc/15/79/09/569157909.db2.gz BHKVPAWHWDLVRD-HNNXBMFYSA-N -1 3 449.529 3.120 50 0 IGAAHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000002875498 569177556 /nfs/dbraw/zinc/17/75/56/569177556.db2.gz FKMPGMOMUOWIOR-SNVBAGLBSA-N -1 3 431.297 3.070 50 0 IGAAHM COC(=O)[C@@]([N-]c1ccc(OC(F)(F)F)cc1)(NC(=O)c1ccco1)C(F)(F)F ZINC000002191918 569190628 /nfs/dbraw/zinc/19/06/28/569190628.db2.gz MFUIUEQCPGQJSV-CQSZACIVSA-N -1 3 426.269 3.452 50 0 IGAAHM O=S(=O)([N-]C[C@H](c1ccoc1)N1CCSCC1)c1ccc(Br)s1 ZINC000253408031 569265450 /nfs/dbraw/zinc/26/54/50/569265450.db2.gz XBNJXJCPBKHPDX-GFCCVEGCSA-N -1 3 437.406 3.172 50 0 IGAAHM Cc1nn(C)c(C)c1[C@@H]([N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1C)C(F)(F)F ZINC000095408817 569365069 /nfs/dbraw/zinc/36/50/69/569365069.db2.gz ZYNFLMAPHYJAJY-GOSISDBHSA-N -1 3 444.479 3.054 50 0 IGAAHM Cc1cc(C)n2nc(CCC[N-]S(=O)(=O)c3ccc(Br)s3)cc2n1 ZINC000040149756 569492628 /nfs/dbraw/zinc/49/26/28/569492628.db2.gz DNHRDUXHDBXKGZ-UHFFFAOYSA-N -1 3 429.365 3.081 50 0 IGAAHM CCOC([O-])=NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1 ZINC000008988108 569494870 /nfs/dbraw/zinc/49/48/70/569494870.db2.gz GYBIOZJWPWAXSJ-UHFFFAOYSA-N -1 3 449.435 3.352 50 0 IGAAHM CCOC(=O)[N-]C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1 ZINC000008988108 569494871 /nfs/dbraw/zinc/49/48/71/569494871.db2.gz GYBIOZJWPWAXSJ-UHFFFAOYSA-N -1 3 449.435 3.352 50 0 IGAAHM O=C(C1CCCCC1)N1CCC(c2nc3c(nnn3Cc3ccccc3F)c(=O)[n-]2)CC1 ZINC000009202217 569511233 /nfs/dbraw/zinc/51/12/33/569511233.db2.gz GEWXTWQCJFBNMC-UHFFFAOYSA-N -1 3 438.507 3.401 50 0 IGAAHM COc1ccc(CCNC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2[O-])cc1OC ZINC000009316365 569522258 /nfs/dbraw/zinc/52/22/58/569522258.db2.gz VHJZDGUQEBDACY-UHFFFAOYSA-N -1 3 432.480 3.012 50 0 IGAAHM Cn1c2c(c(-c3ccccc3)n3c2[C@H](c2cc(Cl)ccc2[O-])OCC3)c(=O)n(C)c1=O ZINC000009348169 569524396 /nfs/dbraw/zinc/52/43/96/569524396.db2.gz JJOWFXRXXNBJFC-NRFANRHFSA-N -1 3 437.883 3.184 50 0 IGAAHM O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N1NC=C[C@]1([O-])C(F)(F)F ZINC000009373354 569527050 /nfs/dbraw/zinc/52/70/50/569527050.db2.gz QFJILWCRMNCSEX-IBGZPJMESA-N -1 3 447.442 3.495 50 0 IGAAHM CCOC(=O)c1oc2ccccc2c1COC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000009487192 569539704 /nfs/dbraw/zinc/53/97/04/569539704.db2.gz NJWNNTDPGTUSQJ-UHFFFAOYSA-N -1 3 437.495 3.083 50 0 IGAAHM Cc1cc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccc(C)c(Cl)c2)no1 ZINC000009495577 569541048 /nfs/dbraw/zinc/54/10/48/569541048.db2.gz LBNRILZCRXJXSY-UHFFFAOYSA-N -1 3 430.877 3.098 50 0 IGAAHM Cc1cc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccc(C)c(Cl)c2)no1 ZINC000009495577 569541049 /nfs/dbraw/zinc/54/10/49/569541049.db2.gz LBNRILZCRXJXSY-UHFFFAOYSA-N -1 3 430.877 3.098 50 0 IGAAHM O=C(CSc1nc(-c2ccccc2)nc2cc(=O)[n-]n21)NCCc1ccc(Cl)cc1 ZINC000009641551 569555745 /nfs/dbraw/zinc/55/57/45/569555745.db2.gz NLQPQKGVFNVCCU-UHFFFAOYSA-N -1 3 439.928 3.189 50 0 IGAAHM COc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1OC ZINC000009665699 569557602 /nfs/dbraw/zinc/55/76/02/569557602.db2.gz XKAYNQNFGMLATM-UHFFFAOYSA-N -1 3 437.481 3.269 50 0 IGAAHM CCOc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCC3(CC2)OCCO3)cc1 ZINC000022626588 122356570 /nfs/dbraw/zinc/35/65/70/122356570.db2.gz AXCRQNBLAKOPNQ-QGZVFWFLSA-N -1 3 430.530 3.132 50 0 IGAAHM CCCn1c(=O)[n-]nc1SCC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000012778744 521614301 /nfs/dbraw/zinc/61/43/01/521614301.db2.gz GPABNBXXGWDSNG-HXUWFJFHSA-N -1 3 436.965 3.224 50 0 IGAAHM CCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(OC)c(Cl)c3)ccc21 ZINC000012180520 521664737 /nfs/dbraw/zinc/66/47/37/521664737.db2.gz BMRUQFRDZZBQMO-UHFFFAOYSA-N -1 3 444.962 3.252 50 0 IGAAHM CC[C@@H](C)NC(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000033033985 522215472 /nfs/dbraw/zinc/21/54/72/522215472.db2.gz PYLXTVNGLLXKSM-GOSISDBHSA-N -1 3 444.601 3.042 50 0 IGAAHM COc1cc([C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OC(=O)c1ccccc1F ZINC000020895764 522930975 /nfs/dbraw/zinc/93/09/75/522930975.db2.gz MBPFCACGSUCDII-SFHVURJKSA-N -1 3 431.445 3.055 50 0 IGAAHM Cc1cccc(S(=O)(=O)[N-]c2ccc(Nc3cc(N4CCOCC4)nc(C)n3)cc2)c1 ZINC000021794878 524805949 /nfs/dbraw/zinc/80/59/49/524805949.db2.gz MBFYXOOIWFMRSH-UHFFFAOYSA-N -1 3 439.541 3.474 50 0 IGAAHM C[C@]1(CSc2ccccc2C(=O)NCCCn2ccc3ccccc32)NC(=O)[N-]C1=O ZINC000012609234 525277918 /nfs/dbraw/zinc/27/79/18/525277918.db2.gz RTDZMQUYGBNLIC-HSZRJFAPSA-N -1 3 436.537 3.152 50 0 IGAAHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000021915830 525510686 /nfs/dbraw/zinc/51/06/86/525510686.db2.gz XQCMXNPTLPRRRS-AWEZNQCLSA-N -1 3 431.489 3.040 50 0 IGAAHM Cc1cc(C(=O)COC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c(C)n1C ZINC000022218053 526210658 /nfs/dbraw/zinc/21/06/58/526210658.db2.gz NMRFSEUJIQKNLH-UHFFFAOYSA-N -1 3 447.340 3.043 50 0 IGAAHM O=C(CNC(=O)c1ccccc1F)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012556972 526865199 /nfs/dbraw/zinc/86/51/99/526865199.db2.gz KMSOFDPDUHPRCF-UHFFFAOYSA-N -1 3 445.447 3.134 50 0 IGAAHM O=S(=O)([N-]C[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)c1cccs1 ZINC000020614881 527222218 /nfs/dbraw/zinc/22/22/18/527222218.db2.gz KWIBZBUGWWXRPG-SFHVURJKSA-N -1 3 435.546 3.322 50 0 IGAAHM O=C(Nc1ccccc1[O-])[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000012865330 527429676 /nfs/dbraw/zinc/42/96/76/527429676.db2.gz SLDOKLKVRSDUOO-LLVKDONJSA-N -1 3 445.360 3.256 50 0 IGAAHM O=C([O-])[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000020732362 527656437 /nfs/dbraw/zinc/65/64/37/527656437.db2.gz JTJLEWZOJWJIEX-RUZDIDTESA-N -1 3 446.551 3.201 50 0 IGAAHM CCN1C(=O)N[C@@H](c2cc(Br)c([O-])c(OC)c2)C(C(=O)OC(C)C)=C1C ZINC000000844280 555568704 /nfs/dbraw/zinc/56/87/04/555568704.db2.gz HHRAUDJHICQYBU-HNNXBMFYSA-N -1 3 427.295 3.475 50 0 biogenic,in-vitro IGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C3CCCC3)cc2)cc1 ZINC000001078142 555625294 /nfs/dbraw/zinc/62/52/94/555625294.db2.gz GAEWPTGJNQYCLI-UHFFFAOYSA-N -1 3 433.555 3.499 50 0 IGAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(I)c2)cc1 ZINC000001111107 555631761 /nfs/dbraw/zinc/63/17/61/555631761.db2.gz CJUXQYPRYTXJNI-UHFFFAOYSA-N -1 3 433.267 3.499 50 0 IGAAHM CC(C)c1cccc(N2C[C@H](C(=O)Nc3ccc(F)c([N-]S(C)(=O)=O)c3)CC2=O)c1 ZINC000032760406 556320596 /nfs/dbraw/zinc/32/05/96/556320596.db2.gz HXJJDDKKAVKYEA-OAHLLOKOSA-N -1 3 433.505 3.312 50 0 IGAAHM COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CC(=O)N2NC(=O)c2ccccc2[O-])cc1 ZINC000013895364 556328968 /nfs/dbraw/zinc/32/89/68/556328968.db2.gz HZXFEVMHHNIESS-XMMPIXPASA-N -1 3 448.475 3.237 50 0 IGAAHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCOc2ccc(C)cc2)c(Br)c1 ZINC000032770612 556334583 /nfs/dbraw/zinc/33/45/83/556334583.db2.gz SXOHXZRFKRBPTQ-UHFFFAOYSA-N -1 3 442.331 3.292 50 0 IGAAHM COc1ccccc1CCNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000014240519 556400938 /nfs/dbraw/zinc/40/09/38/556400938.db2.gz RNQILXWFXOTQOI-UHFFFAOYSA-N -1 3 443.352 3.415 50 0 IGAAHM CC(=O)c1cccc(NC(=O)CSc2nc3c(cnn3-c3ccc(C)cc3)c(=O)[n-]2)c1 ZINC000014253889 556410166 /nfs/dbraw/zinc/41/01/66/556410166.db2.gz URVRNDZJNAGOLB-UHFFFAOYSA-N -1 3 433.493 3.351 50 0 IGAAHM Cc1nc(-c2ccc(CCNC(=O)CCn3[n-]c(=O)c4ccccc4c3=O)s2)cs1 ZINC000032837338 556418777 /nfs/dbraw/zinc/41/87/77/556418777.db2.gz MZTNIMXOWGXPEI-UHFFFAOYSA-N -1 3 440.550 3.345 50 0 IGAAHM O=C1CCC(=O)N1Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000028255029 556446908 /nfs/dbraw/zinc/44/69/08/556446908.db2.gz DKNICBXCSGVEGU-UHFFFAOYSA-N -1 3 428.388 3.035 50 0 IGAAHM C[C@@H](OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(=O)NC1CCCC1 ZINC000013145597 556487707 /nfs/dbraw/zinc/48/77/07/556487707.db2.gz CQJSOCMEYBSLAK-CQSZACIVSA-N -1 3 434.489 3.231 50 0 IGAAHM O=C(Nc1ccc(F)cc1F)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1 ZINC000013146306 556488325 /nfs/dbraw/zinc/48/83/25/556488325.db2.gz UZCZUTUQXRBGTL-CYBMUJFWSA-N -1 3 430.860 3.328 50 0 IGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCc4ccco4)CC3)cc2)cc1 ZINC000015869537 556560312 /nfs/dbraw/zinc/56/03/12/556560312.db2.gz QTXTTWPHUGHCSN-UHFFFAOYSA-N -1 3 426.494 3.437 50 0 IGAAHM Cc1ccc(Cc2nn3c(nnc3SCC(=O)Nc3cccc(C)c3C)[n-]c2=O)cc1 ZINC000015882069 556561333 /nfs/dbraw/zinc/56/13/33/556561333.db2.gz MYTDLAPEEDILKH-UHFFFAOYSA-N -1 3 434.525 3.472 50 0 IGAAHM Cc1ccc(Cc2nn3c(nnc3SCC(=O)Nc3c(C)cccc3C)[n-]c2=O)cc1 ZINC000015882070 556561350 /nfs/dbraw/zinc/56/13/50/556561350.db2.gz QMFSYXYJKJXHTJ-UHFFFAOYSA-N -1 3 434.525 3.472 50 0 IGAAHM CCc1ccccc1NC(=O)CSc1nnc2[n-]c(=O)c(Cc3ccc(C)cc3)nn21 ZINC000015882074 556561356 /nfs/dbraw/zinc/56/13/56/556561356.db2.gz GMMCYOBHRZPVMY-UHFFFAOYSA-N -1 3 434.525 3.417 50 0 IGAAHM CC(C)(C)c1nn2c(nnc2SCC(=O)Nc2cccc(C(F)(F)F)c2)[n-]c1=O ZINC000015882089 556561382 /nfs/dbraw/zinc/56/13/82/556561382.db2.gz IAZWXZFKGBNWTC-UHFFFAOYSA-N -1 3 426.424 3.272 50 0 IGAAHM COc1ccc(CNC(=O)[C@@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000032910443 556575604 /nfs/dbraw/zinc/57/56/04/556575604.db2.gz ABMWJYJXRULKDO-CQSZACIVSA-N -1 3 435.509 3.327 50 0 IGAAHM CSc1nc(=O)[n-]c(C)c1C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000072310202 556579242 /nfs/dbraw/zinc/57/92/42/556579242.db2.gz OPOLIAPTQQPKSK-UHFFFAOYSA-N -1 3 436.965 3.139 50 0 IGAAHM C[C@@H](C(=O)Nc1ccccc1Cl)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011719434 556644767 /nfs/dbraw/zinc/64/47/67/556644767.db2.gz ZUBPVKDJUHEOBK-ZDUSSCGKSA-N -1 3 427.979 3.171 50 0 IGAAHM CN(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1ccco1 ZINC000033024264 556694870 /nfs/dbraw/zinc/69/48/70/556694870.db2.gz JLWBAZHOYBWJAG-IBGZPJMESA-N -1 3 431.489 3.252 50 0 IGAAHM CC[C@@H](C)NC(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000033033959 556715211 /nfs/dbraw/zinc/71/52/11/556715211.db2.gz YPWNFRHWJJKGBQ-GOSISDBHSA-N -1 3 444.601 3.042 50 0 IGAAHM Cc1cccc(NC(=O)C2CC(=O)Nc3nc(SCCc4ccccc4)[n-]c(=O)c32)c1 ZINC000046074296 557030251 /nfs/dbraw/zinc/03/02/51/557030251.db2.gz SOKZZXZZVCKNOJ-KRWDZBQOSA-N -1 3 434.521 3.478 50 0 IGAAHM CCOc1ccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCc2ccccc2C)cc1 ZINC000017315293 557053082 /nfs/dbraw/zinc/05/30/82/557053082.db2.gz JEWCGVPAIDCEJF-UHFFFAOYSA-N -1 3 449.536 3.234 50 0 IGAAHM CCOC(=O)c1sc2[n-]c([C@@H](C)NCCOc3ccccc3OC)nc(=O)c2c1C ZINC000023466507 557093127 /nfs/dbraw/zinc/09/31/27/557093127.db2.gz FKMGCINHNWQCQZ-CYBMUJFWSA-N -1 3 431.514 3.208 50 0 IGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(N(C)C)nc(C)n3)cc2)cc1OC ZINC000033318449 557099803 /nfs/dbraw/zinc/09/98/03/557099803.db2.gz LUGJDCOPSNPAFL-UHFFFAOYSA-N -1 3 443.529 3.413 50 0 IGAAHM CCOc1ccc(N2C[C@@H](C(=O)OCc3cc(=O)oc4c(C)c([O-])ccc34)CC2=O)cc1 ZINC000024832387 557171009 /nfs/dbraw/zinc/17/10/09/557171009.db2.gz GCVJNOILTPCXPG-HNNXBMFYSA-N -1 3 437.448 3.302 50 0 IGAAHM COC(=O)C1(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c2)CCCCC1 ZINC000025171299 557198286 /nfs/dbraw/zinc/19/82/86/557198286.db2.gz MDUAVOMGZCGUIW-UHFFFAOYSA-N -1 3 430.954 3.023 50 0 IGAAHM O=S(=O)([N-]CCNc1ccc(Nc2ccncc2)nn1)c1ccccc1C(F)(F)F ZINC000011697894 557235636 /nfs/dbraw/zinc/23/56/36/557235636.db2.gz JMQBNMPYZUSDPJ-UHFFFAOYSA-N -1 3 438.435 3.024 50 0 IGAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(N3CCOCC3)cc1)ON(c1ccccc1)[C@@H]2c1ccco1 ZINC000100722339 557271330 /nfs/dbraw/zinc/27/13/30/557271330.db2.gz MRJZHFXLXKCAMK-YTFSRNRJSA-N -1 3 445.475 3.167 50 0 IGAAHM CC1CCN(CCNC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccccc5)nc-4c3c2)CC1 ZINC000101828399 557300087 /nfs/dbraw/zinc/30/00/87/557300087.db2.gz ZMYJDMPHAHLUKM-UHFFFAOYSA-N -1 3 429.524 3.280 50 0 IGAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1)NCc1ccc(Cl)cc1 ZINC000051316742 557465199 /nfs/dbraw/zinc/46/51/99/557465199.db2.gz HGUVYPFBWXKBTI-UHFFFAOYSA-N -1 3 425.901 3.171 50 0 IGAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1)NCc1ccc(Cl)cc1 ZINC000051316742 557465202 /nfs/dbraw/zinc/46/52/02/557465202.db2.gz HGUVYPFBWXKBTI-UHFFFAOYSA-N -1 3 425.901 3.171 50 0 IGAAHM COC(=O)c1cc(NC(=O)[C@@H]([N-]S(=O)(=O)c2ccccc2F)C(C)C)cc2[nH]ccc21 ZINC000239351944 557844224 /nfs/dbraw/zinc/84/42/24/557844224.db2.gz AAVULQUWRGFDEL-IBGZPJMESA-N -1 3 447.488 3.035 50 0 IGAAHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)OCC(=O)c1ccccc1F ZINC000003451276 562936081 /nfs/dbraw/zinc/93/60/81/562936081.db2.gz MWNBRHDLHFXMHN-UHFFFAOYSA-N -1 3 434.272 3.227 50 0 IGAAHM COc1ccc(-c2nc3scc(CC[N-]S(=O)(=O)c4ccccc4F)n3n2)cc1 ZINC000008601431 562955275 /nfs/dbraw/zinc/95/52/75/562955275.db2.gz CGIOLRBJKAWSCT-UHFFFAOYSA-N -1 3 432.502 3.127 50 0 IGAAHM Cc1ccc2c(nc3sc(=Cc4ccc(-c5ccc6c(c5)C(=O)[N-]C6=O)o4)c(=O)n32)c1C ZINC000001437166 568804371 /nfs/dbraw/zinc/80/43/71/568804371.db2.gz ZTRJVZBQQPVFOM-UHFFFAOYSA-N -1 3 441.468 3.217 50 0 IGAAHM O=S(=O)([N-]CCc1csc2nc(-c3ccccc3F)nn12)c1ccc(F)cc1F ZINC000015783942 568826751 /nfs/dbraw/zinc/82/67/51/568826751.db2.gz FHQQDIOSBNFPJV-UHFFFAOYSA-N -1 3 438.456 3.396 50 0 IGAAHM CCOc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1OC ZINC000238923914 568910250 /nfs/dbraw/zinc/91/02/50/568910250.db2.gz QHSNTKCALOCZCF-FUHIMQAGSA-N -1 3 438.402 3.198 50 0 IGAAHM O=C([N-]c1ccc(F)c(F)c1)c1nnc([C@@H]2CCCN2C(=O)NC[C@H]2CCCO2)s1 ZINC000064930880 568989305 /nfs/dbraw/zinc/98/93/05/568989305.db2.gz AJBQCSWGZVRJEY-DOMZBBRYSA-N -1 3 437.472 3.094 50 0 IGAAHM CCOC(=O)[C@H]1CCCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc(OC)cc2)C1 ZINC000036370448 569088686 /nfs/dbraw/zinc/08/86/86/569088686.db2.gz ZDKVNPOKYIWHDN-MAUKXSAKSA-N -1 3 444.557 3.432 50 0 IGAAHM Cc1sc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000065097614 569104015 /nfs/dbraw/zinc/10/40/15/569104015.db2.gz PNYQMJVXXFVEQH-UHFFFAOYSA-N -1 3 436.490 3.282 50 0 IGAAHM Cc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000065116536 569107262 /nfs/dbraw/zinc/10/72/62/569107262.db2.gz VASROYNGUFWMFC-UHFFFAOYSA-N -1 3 436.490 3.282 50 0 IGAAHM COc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)ccc2C)cc1 ZINC000065318803 569134351 /nfs/dbraw/zinc/13/43/51/569134351.db2.gz INTVJLCRIFUZNK-UHFFFAOYSA-N -1 3 442.497 3.090 50 0 IGAAHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Nc3ccc(-n4cccn4)nn3)cc2)cc1 ZINC000013009963 569306695 /nfs/dbraw/zinc/30/66/95/569306695.db2.gz QNFPOBPGSIBTRR-UHFFFAOYSA-N -1 3 449.496 3.165 50 0 IGAAHM COC(=O)C[C@@H](c1ccnn1C)c1oc(CSc2ccc(F)cc2F)cc(=O)c1[O-] ZINC000095477987 569373398 /nfs/dbraw/zinc/37/33/98/569373398.db2.gz ZTUNXNZFFBVUDT-ZDUSSCGKSA-N -1 3 436.436 3.344 50 0 IGAAHM COc1cc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)cc2c1OCO2 ZINC000096116939 569383934 /nfs/dbraw/zinc/38/39/34/569383934.db2.gz HDVPSPKJGKPLCU-XIKOKIGWSA-N -1 3 447.513 3.231 50 0 IGAAHM O=C([N-]c1nnc(-c2ccc(Cl)s2)o1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000002494206 569405725 /nfs/dbraw/zinc/40/57/25/569405725.db2.gz CAEKALQLINWDBF-UHFFFAOYSA-N -1 3 438.918 3.488 50 0 IGAAHM Cc1cccc(N2CCN(CC[N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)c1 ZINC000057628716 569440393 /nfs/dbraw/zinc/44/03/93/569440393.db2.gz RCHWPTRMHSJJLJ-UHFFFAOYSA-N -1 3 428.385 3.402 50 0 IGAAHM CCN(CC)C(=O)CSc1nc2ccc([O-])cc2c(=O)n1-c1ccc(OC)c(OC)c1 ZINC000003447231 569451444 /nfs/dbraw/zinc/45/14/44/569451444.db2.gz OFZUKYPEFYXXGQ-UHFFFAOYSA-N -1 3 443.525 3.069 50 0 IGAAHM O=C(NCC[N-]S(=O)(=O)c1cccs1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000031812948 569457738 /nfs/dbraw/zinc/45/77/38/569457738.db2.gz TZNMKVCMSGMWNK-UHFFFAOYSA-N -1 3 439.562 3.459 50 0 IGAAHM COc1ccccc1-c1nc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)n[n-]1 ZINC000059403663 569461212 /nfs/dbraw/zinc/46/12/12/569461212.db2.gz GZRKHHUPPNIPDL-LBPRGKRZSA-N -1 3 441.875 3.134 50 0 IGAAHM CC(C)n1ncc2cc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]C4CC4)c3)cnc21 ZINC000008704775 569470341 /nfs/dbraw/zinc/47/03/41/569470341.db2.gz NFPHFUIKRLLKKR-UHFFFAOYSA-N -1 3 433.921 3.359 50 0 IGAAHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1nc(-c2ccc3c(c2)CCO3)cs1 ZINC000040024687 569482737 /nfs/dbraw/zinc/48/27/37/569482737.db2.gz OWYVSSXDOAXCSH-UHFFFAOYSA-N -1 3 435.552 3.114 50 0 IGAAHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)OCc1coc(-c2ccc(F)cc2)n1 ZINC000040051604 569484461 /nfs/dbraw/zinc/48/44/61/569484461.db2.gz DFXRNESJJNZSLH-UHFFFAOYSA-N -1 3 440.399 3.171 50 0 IGAAHM O=c1ccc(-c2cccs2)nn1CC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000008954906 569490084 /nfs/dbraw/zinc/49/00/84/569490084.db2.gz CXYNWKKEZWMFTQ-UHFFFAOYSA-N -1 3 430.338 3.257 50 0 IGAAHM C[C@@H]1CCCN(C(=O)COC(=O)c2cccc([N-]S(=O)(=O)Cc3ccccc3)c2)C1 ZINC000040150457 569493146 /nfs/dbraw/zinc/49/31/46/569493146.db2.gz DPDYOUROERKLIS-QGZVFWFLSA-N -1 3 430.526 3.044 50 0 IGAAHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)NC[C@@H]1CCCO1 ZINC000009095688 569501361 /nfs/dbraw/zinc/50/13/61/569501361.db2.gz SSXWRYCJRZRVEQ-KRWDZBQOSA-N -1 3 438.933 3.123 50 0 IGAAHM C[C@H](Sc1nnc(Cc2cccs2)n1C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000009245102 569515230 /nfs/dbraw/zinc/51/52/30/569515230.db2.gz RKRONKIRBOCOJI-LBPRGKRZSA-N -1 3 436.584 3.202 50 0 IGAAHM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)NCc1ccc(Cl)cc1 ZINC000009377806 569527518 /nfs/dbraw/zinc/52/75/18/569527518.db2.gz RLESQPGHSUTONN-UHFFFAOYSA-N -1 3 425.901 3.171 50 0 IGAAHM O=C(c1ccccc1Cl)N1CCC[C@@H](c2nc3c(nnn3Cc3ccco3)c(=O)[n-]2)C1 ZINC000009408672 569530637 /nfs/dbraw/zinc/53/06/37/569530637.db2.gz LHVVARDBLAJLQK-CYBMUJFWSA-N -1 3 438.875 3.241 50 0 IGAAHM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)[N-]c3nnc(-c4ccccn4)o3)cc2)C1 ZINC000009428031 569533503 /nfs/dbraw/zinc/53/35/03/569533503.db2.gz VYPNMNQHZBHGLR-HUUCEWRRSA-N -1 3 441.513 3.051 50 0 IGAAHM COc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000009490751 569540254 /nfs/dbraw/zinc/54/02/54/569540254.db2.gz ITNLCNGGNITWBA-UHFFFAOYSA-N -1 3 435.509 3.465 50 0 IGAAHM COc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000009490751 569540255 /nfs/dbraw/zinc/54/02/55/569540255.db2.gz ITNLCNGGNITWBA-UHFFFAOYSA-N -1 3 435.509 3.465 50 0 IGAAHM O=C(CSc1ccccc1C(=O)OCc1nc2ccsc2c(=O)[n-]1)N1CCCC1 ZINC000009670268 569558296 /nfs/dbraw/zinc/55/82/96/569558296.db2.gz GLGSDWIEQHEPIF-UHFFFAOYSA-N -1 3 429.523 3.056 50 0 IGAAHM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000009867541 569572263 /nfs/dbraw/zinc/57/22/63/569572263.db2.gz WDCGQKYGPSQADS-UHFFFAOYSA-N -1 3 429.480 3.439 50 0 IGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cccc(Cl)c1N(Cc1ccccc1)C2=O ZINC000009872381 569572418 /nfs/dbraw/zinc/57/24/18/569572418.db2.gz PCXJOXPCFAIBOK-FQEVSTJZSA-N -1 3 428.901 3.042 50 0 IGAAHM O=C(CSc1nc2c(cnn2-c2ccc(F)cc2)c(=O)[n-]1)N1CCCc2ccccc21 ZINC000006494077 132277569 /nfs/dbraw/zinc/27/75/69/132277569.db2.gz INDRMZHJRDHDPR-UHFFFAOYSA-N -1 3 435.484 3.319 50 0 IGAAHM Cc1ccccc1OCc1nc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)n[n-]1 ZINC000008721103 132291870 /nfs/dbraw/zinc/29/18/70/132291870.db2.gz QLJHVZQPJAJWTO-UHFFFAOYSA-N -1 3 439.541 3.260 50 0 IGAAHM CC(C)(C)c1ccc(-c2nc(CN3CCOCC3)cc(CN3CCOCC3)c2[O-])cc1 ZINC000022016435 519009198 /nfs/dbraw/zinc/00/91/98/519009198.db2.gz VHCDBKOTYFJUMC-UHFFFAOYSA-N -1 3 425.573 3.416 50 0 IGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cc(C)ccc2OS(=O)(=O)c2ccc(C)cc2)S1 ZINC000020896323 519642776 /nfs/dbraw/zinc/64/27/76/519642776.db2.gz PDOQGRYBDJBGRM-LJQANCHMSA-N -1 3 447.538 3.072 50 0 IGAAHM CCOc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)COC)CCC3)cc1C ZINC000021756905 520593728 /nfs/dbraw/zinc/59/37/28/520593728.db2.gz RJGVIUCYSDAIKI-UHFFFAOYSA-N -1 3 432.542 3.429 50 0 IGAAHM CCOc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)ccc1O ZINC000035092965 520776780 /nfs/dbraw/zinc/77/67/80/520776780.db2.gz WRJJAINARFDXTG-UWVAXJGDSA-N -1 3 438.402 3.203 50 0 IGAAHM COc1cc([C@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OC(=O)c1cccc(C)c1 ZINC000020895751 522968385 /nfs/dbraw/zinc/96/83/85/522968385.db2.gz ZUJATTRVAYQVLO-LJQANCHMSA-N -1 3 427.482 3.224 50 0 IGAAHM C[C@@H](CCc1ccccc1)n1c(=O)[nH]c([O-])c([C@H]2NCCc3c4ccccc4[nH]c32)c1=O ZINC000020757328 524536943 /nfs/dbraw/zinc/53/69/43/524536943.db2.gz RBPLPCIJFWKKGD-OYHNWAKOSA-N -1 3 430.508 3.152 50 0 IGAAHM C[C@@H](CCc1ccccc1)n1c([O-])c([C@H]2NCCc3c4ccccc4[nH]c32)c(=O)[nH]c1=O ZINC000020757328 524536952 /nfs/dbraw/zinc/53/69/52/524536952.db2.gz RBPLPCIJFWKKGD-OYHNWAKOSA-N -1 3 430.508 3.152 50 0 IGAAHM Cc1ccc(COC(=O)[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@H](C)O)cc1 ZINC000020822295 524625794 /nfs/dbraw/zinc/62/57/94/524625794.db2.gz CMHORSOMRWDICU-SJCJKPOMSA-N -1 3 432.325 3.073 50 0 IGAAHM O=C([O-])[C@H](c1c2ccccc2[nH]c1-c1ccccc1)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000020732359 526315965 /nfs/dbraw/zinc/31/59/65/526315965.db2.gz JTJLEWZOJWJIEX-VWLOTQADSA-N -1 3 446.551 3.201 50 0 IGAAHM O=C(c1ccncc1)N1CCN(Cc2nc(=O)c3c(-c4ccc(F)cc4)csc3[n-]2)CC1 ZINC000012794643 526850794 /nfs/dbraw/zinc/85/07/94/526850794.db2.gz WEPONZVJECODOR-UHFFFAOYSA-N -1 3 449.511 3.144 50 0 IGAAHM O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1)OCc1ccccc1 ZINC000012758662 526864166 /nfs/dbraw/zinc/86/41/66/526864166.db2.gz BAROGDKDQICJCU-NRFANRHFSA-N -1 3 442.479 3.343 50 0 IGAAHM O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1)OCc1ccccc1 ZINC000012758662 526864171 /nfs/dbraw/zinc/86/41/71/526864171.db2.gz BAROGDKDQICJCU-NRFANRHFSA-N -1 3 442.479 3.343 50 0 IGAAHM O=C(N[C@H](Cc1ccccc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1)OCc1ccccc1 ZINC000012758668 527001337 /nfs/dbraw/zinc/00/13/37/527001337.db2.gz BAROGDKDQICJCU-OAQYLSRUSA-N -1 3 442.479 3.343 50 0 IGAAHM O=C(N[C@H](Cc1ccccc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1)OCc1ccccc1 ZINC000012758668 527001339 /nfs/dbraw/zinc/00/13/39/527001339.db2.gz BAROGDKDQICJCU-OAQYLSRUSA-N -1 3 442.479 3.343 50 0 IGAAHM O=C(Cc1cccc2ccccc21)NCC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012568292 527273199 /nfs/dbraw/zinc/27/31/99/527273199.db2.gz OCRYOHHRPFKZPU-UHFFFAOYSA-N -1 3 445.519 3.081 50 0 IGAAHM Cn1ccnc1[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1)c1ccccc1 ZINC000012525742 527464319 /nfs/dbraw/zinc/46/43/19/527464319.db2.gz XYHIQWZKNQZTHN-LJQANCHMSA-N -1 3 444.944 3.034 50 0 IGAAHM COc1ccccc1CC[N-]S(=O)(=O)[C@@H]1CON(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000034738666 555889301 /nfs/dbraw/zinc/88/93/01/555889301.db2.gz OFYGUPLPQAKTTG-RTBURBONSA-N -1 3 444.475 3.163 50 0 IGAAHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 ZINC000006268054 556083249 /nfs/dbraw/zinc/08/32/49/556083249.db2.gz RQDANZXNXNSMRG-UHFFFAOYSA-N -1 3 437.521 3.283 50 0 IGAAHM 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CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COC)cc2)cc1Br ZINC000009546248 569546279 /nfs/dbraw/zinc/54/62/79/569546279.db2.gz SSHJFOHEMFJRCW-UHFFFAOYSA-N -1 3 443.319 3.234 50 0 IGAAHM O=c1nc(CSc2nnnn2C[C@H]2CCCO2)[n-]c2scc(-c3ccccc3)c21 ZINC000009647356 569556417 /nfs/dbraw/zinc/55/64/17/569556417.db2.gz LDOHAWWKPDUCNG-CYBMUJFWSA-N -1 3 426.527 3.109 50 0 IGAAHM CS(=O)(=O)c1cccc(-c2nnc([N-]C(=O)c3ccc(Br)s3)o2)c1 ZINC000009707631 569561588 /nfs/dbraw/zinc/56/15/88/569561588.db2.gz RVNDWTUDBXMCGJ-UHFFFAOYSA-N -1 3 428.289 3.216 50 0 IGAAHM O=C(CNC(=O)c1cccs1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009861527 569571985 /nfs/dbraw/zinc/57/19/85/569571985.db2.gz FVWXNVOYRNBQAP-UHFFFAOYSA-N -1 3 433.486 3.057 50 0 IGAAHM COc1ccc(NC(=O)C[C@@H](CN2CCN(c3cccc(Cl)c3)CC2)C(=O)[O-])cc1 ZINC000071282180 569573672 /nfs/dbraw/zinc/57/36/72/569573672.db2.gz UNOSKOUVAINIKW-INIZCTEOSA-N -1 3 431.920 3.200 50 0 IGAAHM COc1ccc(Cl)cc1C(=O)[N-]n1cnc2c(cnn2-c2cccc(Cl)c2)c1=O ZINC000010251754 569579876 /nfs/dbraw/zinc/57/98/76/569579876.db2.gz LLLDRWBHCACPDH-UHFFFAOYSA-N -1 3 430.251 3.282 50 0 IGAAHM CCOC(=O)N=c1[n-]c2c(s1)CN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)CC2 ZINC000077196368 569586020 /nfs/dbraw/zinc/58/60/20/569586020.db2.gz JIIJYQDIEBFOOH-UHFFFAOYSA-N -1 3 435.449 3.477 50 0 IGAAHM CC(C)(C)C(=O)Nc1ccc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000021682800 518589903 /nfs/dbraw/zinc/58/99/03/518589903.db2.gz GKAGEPQIMVJAAI-UHFFFAOYSA-N -1 3 443.978 3.094 50 0 IGAAHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000078935784 519795815 /nfs/dbraw/zinc/79/58/15/519795815.db2.gz MUJSGHBUQAUXJY-LJQANCHMSA-N -1 3 428.476 3.156 50 0 IGAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1ccccc1Br ZINC000021052236 519799476 /nfs/dbraw/zinc/79/94/76/519799476.db2.gz LTKLVPJDUFOLRU-OAHLLOKOSA-N -1 3 431.377 3.130 50 0 IGAAHM CC(C)c1nnc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccccc2F)s1 ZINC000012782383 519889839 /nfs/dbraw/zinc/88/98/39/519889839.db2.gz APOPDODDQYDCQM-MRXNPFEDSA-N -1 3 448.545 3.329 50 0 IGAAHM CCOc1cc([C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OC(=O)c1ccccc1 ZINC000020895770 520779863 /nfs/dbraw/zinc/77/98/63/520779863.db2.gz OMVSVEYFMNLLDV-IBGZPJMESA-N -1 3 427.482 3.306 50 0 IGAAHM CCCn1c2ccc(-c3noc([C@@H](C)[N-]S(=O)(=O)c4ccc(C)cc4)n3)cc2[nH]c1=O ZINC000035482015 521636973 /nfs/dbraw/zinc/63/69/73/521636973.db2.gz OANJQOWZVABPNG-CQSZACIVSA-N -1 3 441.513 3.138 50 0 IGAAHM COc1cc(C(=O)N2CCC[C@H](C[N-]S(=O)(=O)c3cccs3)C2)c2ccccc2n1 ZINC000012577975 522077653 /nfs/dbraw/zinc/07/76/53/522077653.db2.gz ROFPELABMAXJCJ-OAHLLOKOSA-N -1 3 445.566 3.136 50 0 IGAAHM C[C@H](CCc1ccccc1)NC(=O)CSc1nc(-c2ccccc2)nc2cc(=O)[n-]n21 ZINC000021537400 524240895 /nfs/dbraw/zinc/24/08/95/524240895.db2.gz SIXPMPGFPITOMF-MRXNPFEDSA-N -1 3 433.537 3.314 50 0 IGAAHM Cc1ccc(COC(=O)[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@H](C)O)cc1 ZINC000020822289 524625213 /nfs/dbraw/zinc/62/52/13/524625213.db2.gz CMHORSOMRWDICU-YVEFUNNKSA-N -1 3 432.325 3.073 50 0 IGAAHM COc1ccc(OCCOc2ccc(C)cc2)c([C@H]2SC([N-]C(C)=O)=NN2C(C)=O)c1 ZINC000020896394 524964771 /nfs/dbraw/zinc/96/47/71/524964771.db2.gz OPNZJFIGGHDWPM-OAQYLSRUSA-N -1 3 443.525 3.462 50 0 IGAAHM O=C(CCCC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1)c1cccs1 ZINC000012932571 526414565 /nfs/dbraw/zinc/41/45/65/526414565.db2.gz FGTHMKXYFGXKDG-UHFFFAOYSA-N -1 3 426.585 3.132 50 0 IGAAHM O=C([N-]c1nc(-c2ccccn2)cs1)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1 ZINC000077100480 527502229 /nfs/dbraw/zinc/50/22/29/527502229.db2.gz XVAUANBUQMFYMY-UHFFFAOYSA-N -1 3 433.375 3.332 50 0 IGAAHM COc1cc(CNCc2ccc(C(=O)[O-])cc2)ccc1Oc1nnnn1-c1ccccc1 ZINC000009194011 556254046 /nfs/dbraw/zinc/25/40/46/556254046.db2.gz VZOKONJCTDKGRX-UHFFFAOYSA-N -1 3 431.452 3.451 50 0 IGAAHM COc1cc(S(=O)(=O)[N-]c2ccccc2F)cc(C(=O)NCCc2ccco2)c1OC ZINC000032731496 556283304 /nfs/dbraw/zinc/28/33/04/556283304.db2.gz JFPHTKYESATPOW-UHFFFAOYSA-N -1 3 448.472 3.209 50 0 IGAAHM CSc1nnc([N-]C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)s1 ZINC000010381787 556333979 /nfs/dbraw/zinc/33/39/79/556333979.db2.gz NZFJGIVWGJNVFO-UHFFFAOYSA-N -1 3 432.980 3.340 50 0 IGAAHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCc2cccc(F)c2)c(Br)c1 ZINC000032770700 556334812 /nfs/dbraw/zinc/33/48/12/556334812.db2.gz ICGJLDYCEKDEGP-UHFFFAOYSA-N -1 3 430.295 3.286 50 0 IGAAHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000014372186 556415067 /nfs/dbraw/zinc/41/50/67/556415067.db2.gz OTVPXASOUSMEOW-UHFFFAOYSA-N -1 3 428.514 3.282 50 0 IGAAHM COCCOC(=O)c1sc2[n-]c(CN(C)Cc3cccc(Cl)c3)nc(=O)c2c1C ZINC000013041610 556447944 /nfs/dbraw/zinc/44/79/44/556447944.db2.gz QSVCSYVGWLQPAT-UHFFFAOYSA-N -1 3 435.933 3.382 50 0 IGAAHM COc1ccc(C)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1 ZINC000013070584 556453227 /nfs/dbraw/zinc/45/32/27/556453227.db2.gz VDVSZUSARQDQCD-OAHLLOKOSA-N -1 3 438.933 3.367 50 0 IGAAHM CN(C)Cc1ccccc1CNC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000030516611 556496135 /nfs/dbraw/zinc/49/61/35/556496135.db2.gz KRBURHXJQVETTM-UHFFFAOYSA-N -1 3 443.594 3.469 50 0 IGAAHM CSCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccnc1 ZINC000015435630 556527576 /nfs/dbraw/zinc/52/75/76/556527576.db2.gz PMPGGGCNVPYDQI-HNNXBMFYSA-N -1 3 434.370 3.427 50 0 IGAAHM O=C(NCCOc1ccccc1)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccco2)c1 ZINC000016046179 556580150 /nfs/dbraw/zinc/58/01/50/556580150.db2.gz DBOOIYALGKRDMK-UHFFFAOYSA-N -1 3 434.901 3.220 50 0 IGAAHM CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000100563726 556620664 /nfs/dbraw/zinc/62/06/64/556620664.db2.gz VCFSAPQHUUBITR-RDJZCZTQSA-N -1 3 432.263 3.291 50 0 IGAAHM Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)[N-]c1ccccc1C(C)(C)C ZINC000011858083 556662984 /nfs/dbraw/zinc/66/29/84/556662984.db2.gz YFQBRDVZVNUYPX-UHFFFAOYSA-N -1 3 436.555 3.160 50 0 IGAAHM Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1Cl ZINC000011997736 556679357 /nfs/dbraw/zinc/67/93/57/556679357.db2.gz GQCLYMVMEXCXKQ-UHFFFAOYSA-N -1 3 449.337 3.169 50 0 IGAAHM CC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3F)cc21 ZINC000033129722 556868948 /nfs/dbraw/zinc/86/89/48/556868948.db2.gz XESDMEIOXIDHGB-UHFFFAOYSA-N -1 3 449.523 3.486 50 0 IGAAHM CS(=O)(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc(OC4CCCC4)cc3)ccc21 ZINC000019819403 556922459 /nfs/dbraw/zinc/92/24/59/556922459.db2.gz GKMDKTOUDKNFRT-UHFFFAOYSA-N -1 3 436.555 3.131 50 0 IGAAHM CC[C@H](C)c1ccc(S(=O)(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000010680204 557000635 /nfs/dbraw/zinc/00/06/35/557000635.db2.gz XURHOASWNAPIPB-HNNXBMFYSA-N -1 3 442.628 3.393 50 0 IGAAHM CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(Br)cc1C)CC(=O)N2 ZINC000046073970 557030292 /nfs/dbraw/zinc/03/02/92/557030292.db2.gz PEHRUGNQDHZLIS-SNVBAGLBSA-N -1 3 437.319 3.017 50 0 IGAAHM O=C(Nc1ccc(F)cc1)C1CC(=O)Nc2nc(SCc3ccccc3F)[n-]c(=O)c21 ZINC000046075288 557032123 /nfs/dbraw/zinc/03/21/23/557032123.db2.gz FEBHHZTZLGDPTR-CQSZACIVSA-N -1 3 442.447 3.405 50 0 IGAAHM O=C(Nc1cc(F)ccc1F)C1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000046075789 557032506 /nfs/dbraw/zinc/03/25/06/557032506.db2.gz PFGQDIXFRUMDCC-ZDUSSCGKSA-N -1 3 442.447 3.405 50 0 IGAAHM COc1cccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2S[C@H](C)c2ccccc2)c1 ZINC000017242196 557043221 /nfs/dbraw/zinc/04/32/21/557043221.db2.gz PZRZJHSKZDJKHC-CQSZACIVSA-N -1 3 435.509 3.097 50 0 IGAAHM Cc1nc(Nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc(N(C)C)n1 ZINC000033318464 557099875 /nfs/dbraw/zinc/09/98/75/557099875.db2.gz GSMKFWTXFGEVRT-UHFFFAOYSA-N -1 3 441.513 3.167 50 0 IGAAHM O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)c1cc(=O)n(-c2ccccc2)c(=O)[n-]1 ZINC000585150110 557110345 /nfs/dbraw/zinc/11/03/45/557110345.db2.gz ASSTXHOGTFNMPN-UHFFFAOYSA-N -1 3 427.464 3.390 50 0 IGAAHM O=C(CSc1nc2ccc(I)cc2c(=O)[n-]1)NC1CCCCC1 ZINC000016393742 557151244 /nfs/dbraw/zinc/15/12/44/557151244.db2.gz CVRSPONVOMONLB-UHFFFAOYSA-N -1 3 443.310 3.481 50 0 IGAAHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000072310201 557331469 /nfs/dbraw/zinc/33/14/69/557331469.db2.gz USMVNOVQCQCIHI-UHFFFAOYSA-N -1 3 446.979 3.302 50 0 IGAAHM COc1ccc(C2=NOC3=C([O-])N(c4ccc(C)cc4Br)C(=O)[C@H]23)cc1OC ZINC000102557286 557359020 /nfs/dbraw/zinc/35/90/20/557359020.db2.gz DKRPKERPYQBJLG-SJLPKXTDSA-N -1 3 445.269 3.067 50 0 IGAAHM Cc1nn(-c2ccccn2)c(C)c1CC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000225583865 557449508 /nfs/dbraw/zinc/44/95/08/557449508.db2.gz ZVGCIHACIUYXSP-UHFFFAOYSA-N -1 3 441.376 3.229 50 0 IGAAHM CCOc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)NCc2ccc(C)cc2)cc1 ZINC000051316525 557464372 /nfs/dbraw/zinc/46/43/72/557464372.db2.gz TXOWVBFLMNHITK-UHFFFAOYSA-N -1 3 449.536 3.224 50 0 IGAAHM CCOc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)NCc2ccc(C)cc2)cc1 ZINC000051316525 557464374 /nfs/dbraw/zinc/46/43/74/557464374.db2.gz TXOWVBFLMNHITK-UHFFFAOYSA-N -1 3 449.536 3.224 50 0 IGAAHM CCOc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)N(C)c2ccccc2)cc1 ZINC000051316434 557464443 /nfs/dbraw/zinc/46/44/43/557464443.db2.gz TYSXLDSXHYJXDT-UHFFFAOYSA-N -1 3 435.509 3.263 50 0 IGAAHM CCOc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)N(C)c2ccccc2)cc1 ZINC000051316434 557464446 /nfs/dbraw/zinc/46/44/46/557464446.db2.gz TYSXLDSXHYJXDT-UHFFFAOYSA-N -1 3 435.509 3.263 50 0 IGAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccc(F)c(F)c1)Nc1ccccc1F ZINC000051316795 557465910 /nfs/dbraw/zinc/46/59/10/557465910.db2.gz YUYWNANVZNRAGM-UHFFFAOYSA-N -1 3 431.399 3.257 50 0 IGAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccc(F)c(F)c1)Nc1ccccc1F ZINC000051316795 557465912 /nfs/dbraw/zinc/46/59/12/557465912.db2.gz YUYWNANVZNRAGM-UHFFFAOYSA-N -1 3 431.399 3.257 50 0 IGAAHM COc1ccc(NC(=O)C2CCC(C[N-]S(=O)(=O)c3cccs3)CC2)cc1OC ZINC000008593942 562952930 /nfs/dbraw/zinc/95/29/30/562952930.db2.gz GXPRANQRHPVWBL-UHFFFAOYSA-N -1 3 438.571 3.489 50 0 IGAAHM O=C([O-])CC[C@H]1CN(Cc2ccccn2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000299754918 568755249 /nfs/dbraw/zinc/75/52/49/568755249.db2.gz CFTKKYPTNQYBSL-SIKLNZKXSA-N -1 3 426.536 3.098 50 0 IGAAHM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC ZINC000016625146 568787338 /nfs/dbraw/zinc/78/73/38/568787338.db2.gz BHOFYEQOBMPYAT-UHFFFAOYSA-N -1 3 439.493 3.108 50 0 IGAAHM Cc1noc(C)c1S(=O)(=O)[N-]CCc1sc2nc(-c3ccc(F)cc3)nn2c1C ZINC000015823668 568840171 /nfs/dbraw/zinc/84/01/71/568840171.db2.gz KRKQUMRAZUCPOI-UHFFFAOYSA-N -1 3 435.506 3.031 50 0 IGAAHM Cc1ccc(N2C(=O)C[C@H](N3CCC(C(=O)Nc4ccccc4[O-])CC3)C2=O)cc1Cl ZINC000012944781 568870687 /nfs/dbraw/zinc/87/06/87/568870687.db2.gz UBUPOKBQSKCYTL-IBGZPJMESA-N -1 3 441.915 3.337 50 0 IGAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCSCc1ccccc1F ZINC000013011566 568901142 /nfs/dbraw/zinc/90/11/42/568901142.db2.gz UASDIFPSLMOVPZ-QGZVFWFLSA-N -1 3 430.592 3.240 50 0 IGAAHM COc1cc([C@@H](CC(=O)NCCc2nc(C)cs2)c2oc(C)cc(=O)c2[O-])ccc1O ZINC000524730693 568904221 /nfs/dbraw/zinc/90/42/21/568904221.db2.gz STVHPKILZPALHD-OAHLLOKOSA-N -1 3 444.509 3.014 50 0 IGAAHM COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccccc3C(=O)[O-])[C@H]2C1=O ZINC000245311631 568914647 /nfs/dbraw/zinc/91/46/47/568914647.db2.gz PFENJNKAHWXPSP-YPAWHYETSA-N -1 3 444.443 3.445 50 0 IGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(C)nc(N4CCOCC4)n3)cc2)cc1 ZINC000064801916 568961681 /nfs/dbraw/zinc/96/16/81/568961681.db2.gz LBBPOADAEAZHNZ-UHFFFAOYSA-N -1 3 439.541 3.474 50 0 IGAAHM CCCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(C)cc3Cl)ccc21 ZINC000064818875 568965697 /nfs/dbraw/zinc/96/56/97/568965697.db2.gz HPZOFOCAMXVHRM-UHFFFAOYSA-N -1 3 438.889 3.310 50 0 IGAAHM Cc1ccc(C)c(S(=O)(=O)NCc2nnc(C(=O)[N-]c3ccc(F)cc3F)s2)c1 ZINC000064991813 569084325 /nfs/dbraw/zinc/08/43/25/569084325.db2.gz QSULCJUAFOTZJU-UHFFFAOYSA-N -1 3 438.481 3.164 50 0 IGAAHM O=C(Nc1ccc(F)cc1F)c1nnc(C[N-]S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000064991808 569084331 /nfs/dbraw/zinc/08/43/31/569084331.db2.gz VJPXBTKIRCGHNX-UHFFFAOYSA-N -1 3 444.872 3.201 50 0 IGAAHM CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])N1CCN(Cc2ccncc2)CC1 ZINC000036359549 569086451 /nfs/dbraw/zinc/08/64/51/569086451.db2.gz UGDJPUIUDLRJAN-QFIPXVFZSA-N -1 3 435.528 3.101 50 0 IGAAHM O=C(c1ccc(F)cc1)N1CCC(CC[N-]S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000065007236 569087619 /nfs/dbraw/zinc/08/76/19/569087619.db2.gz IXJWYRICXGMHQW-UHFFFAOYSA-N -1 3 426.460 3.325 50 0 IGAAHM COCCNC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000065063615 569097592 /nfs/dbraw/zinc/09/75/92/569097592.db2.gz MWDDJEZWRMDJEF-UHFFFAOYSA-N -1 3 445.472 3.190 50 0 IGAAHM CCOC(=O)c1ncc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)[n-]1 ZINC000170614487 569146418 /nfs/dbraw/zinc/14/64/18/569146418.db2.gz APYZTZWUXWAACO-CYBMUJFWSA-N -1 3 425.272 3.137 50 0 IGAAHM CCOC(=O)c1nc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)c[n-]1 ZINC000170614487 569146419 /nfs/dbraw/zinc/14/64/19/569146419.db2.gz APYZTZWUXWAACO-CYBMUJFWSA-N -1 3 425.272 3.137 50 0 IGAAHM O=S(=O)([N-]Cc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(Cl)s1 ZINC000014208119 569158108 /nfs/dbraw/zinc/15/81/08/569158108.db2.gz KKPCSQINOXCRJA-UHFFFAOYSA-N -1 3 434.992 3.055 50 0 IGAAHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)COc1ccc(Br)cc1Cl ZINC000014371774 569158784 /nfs/dbraw/zinc/15/87/84/569158784.db2.gz LTZPKJRXCUKALJ-UHFFFAOYSA-N -1 3 442.722 3.438 50 0 IGAAHM Cc1ccc(S(=O)(=O)[N-][C@@]2(C(F)(F)F)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000020069664 569333308 /nfs/dbraw/zinc/33/33/08/569333308.db2.gz NNZKNIRGFHXDQB-INIZCTEOSA-N -1 3 447.822 3.146 50 0 IGAAHM CC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)c1 ZINC000020116392 569335156 /nfs/dbraw/zinc/33/51/56/569335156.db2.gz DNXXQSGAHHBOBG-IBGZPJMESA-N -1 3 428.535 3.479 50 0 IGAAHM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(OC)ccc1OC)c1ccccc1Cl ZINC000020156292 569353691 /nfs/dbraw/zinc/35/36/91/569353691.db2.gz FPWIYFHDDXPGNT-MRXNPFEDSA-N -1 3 427.906 3.330 50 0 IGAAHM COC(=O)C[C@H](c1ccnn1C)c1oc(CSc2ccc(F)cc2F)cc(=O)c1[O-] ZINC000095477986 569373323 /nfs/dbraw/zinc/37/33/23/569373323.db2.gz ZTUNXNZFFBVUDT-CYBMUJFWSA-N -1 3 436.436 3.344 50 0 IGAAHM COC(=O)C[C@@H](c1cnn(C)c1)c1oc(CSc2cccc(OC)c2)cc(=O)c1[O-] ZINC000095477597 569373383 /nfs/dbraw/zinc/37/33/83/569373383.db2.gz WGSKXUVUYOOOMF-KRWDZBQOSA-N -1 3 430.482 3.075 50 0 IGAAHM COc1cc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)cc2c1OCO2 ZINC000096116940 569383947 /nfs/dbraw/zinc/38/39/47/569383947.db2.gz HDVPSPKJGKPLCU-SGTLLEGYSA-N -1 3 447.513 3.231 50 0 IGAAHM Cc1ccc([C@@]2(C)NC(=O)N(Cc3nc(=O)c4c5c(sc4[n-]3)C[C@H](C)CC5)C2=O)cc1 ZINC000002627321 569411864 /nfs/dbraw/zinc/41/18/64/569411864.db2.gz JQPILNXTVQNLON-JCQPUDPBSA-N -1 3 436.537 3.385 50 0 IGAAHM O=C(COc1ccc(Cl)cc1)N1CCc2nc(Cc3cccc(F)c3)[n-]c(=O)c2C1 ZINC000004156996 569460526 /nfs/dbraw/zinc/46/05/26/569460526.db2.gz HFUWQNIKKMOFKV-UHFFFAOYSA-N -1 3 427.863 3.117 50 0 IGAAHM Cc1ccc(S(=O)(=O)[C@@H](C[N-]S(=O)(=O)CCc2ccccc2)c2cccnc2)cc1 ZINC000008717996 569471247 /nfs/dbraw/zinc/47/12/47/569471247.db2.gz YHYUWPDYPGTAPV-QFIPXVFZSA-N -1 3 444.578 3.067 50 0 IGAAHM Cc1ccc(C(=O)COC(=O)c2cc(C(C)C)nc3c2c(=O)[n-]c(=O)n3CC(C)C)cc1 ZINC000040072549 569486001 /nfs/dbraw/zinc/48/60/01/569486001.db2.gz GEFSSSUUNGGMEM-UHFFFAOYSA-N -1 3 437.496 3.212 50 0 IGAAHM Cc1ccc(CS(=O)(=O)[N-]C[C@@H](c2cccnc2)S(=O)(=O)c2ccccc2)cc1 ZINC000009005321 569496091 /nfs/dbraw/zinc/49/60/91/569496091.db2.gz UUTONYSJEOLAFK-NRFANRHFSA-N -1 3 430.551 3.025 50 0 IGAAHM CCOc1ccc(N2C[C@H](C[N-]S(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1 ZINC000009036156 569497348 /nfs/dbraw/zinc/49/73/48/569497348.db2.gz WMEWRRWWQMGEQN-AWEZNQCLSA-N -1 3 442.459 3.436 50 0 IGAAHM CSCC[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCc1ccc(Cl)cc1 ZINC000009559448 569546953 /nfs/dbraw/zinc/54/69/53/569546953.db2.gz RSPBIEDJLSMSAV-HNNXBMFYSA-N -1 3 433.020 3.160 50 0 IGAAHM O=C(CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)NCc1cccs1 ZINC000009595049 569550706 /nfs/dbraw/zinc/55/07/06/569550706.db2.gz RDKFTSMNXSRHRA-UHFFFAOYSA-N -1 3 431.930 3.232 50 0 IGAAHM COc1ccc([C@@]2(C)[N-]C(=O)N(Cc3c(F)c(F)c(F)c(F)c3F)C2=O)cc1OC ZINC000009606158 569551973 /nfs/dbraw/zinc/55/19/73/569551973.db2.gz CUTYFAPPAJMQDX-LJQANCHMSA-N -1 3 430.329 3.367 50 0 IGAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)N2c4ccccc4C[C@H]2C)[n-]c3=O)cc1 ZINC000009712348 569562263 /nfs/dbraw/zinc/56/22/63/569562263.db2.gz PZWUBKPBZGJNCL-OAHLLOKOSA-N -1 3 431.521 3.487 50 0 IGAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000004787520 132274066 /nfs/dbraw/zinc/27/40/66/132274066.db2.gz UPXHCXHTGPMFNU-GOSISDBHSA-N -1 3 442.006 3.053 50 0 IGAAHM CC(C)c1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]3CCCO3)c2)s1 ZINC000012755661 519890559 /nfs/dbraw/zinc/89/05/59/519890559.db2.gz VVQJRQQVZKMXSI-LBPRGKRZSA-N -1 3 444.966 3.025 50 0 IGAAHM CC1CCN(S(=O)(=O)c2ccc3ncc(C(=O)NC4CCCCCC4)c([O-])c3c2)CC1 ZINC000020753980 521032676 /nfs/dbraw/zinc/03/26/76/521032676.db2.gz FDNMSSPTIFWTOO-UHFFFAOYSA-N -1 3 445.585 3.401 50 0 IGAAHM CCOc1ccc([C@@H](c2sc3nc(CC)nn3c2[O-])N2CCC(C(=O)OC)CC2)cc1 ZINC000022853669 521234789 /nfs/dbraw/zinc/23/47/89/521234789.db2.gz ZIDUOSVTVFAQFT-SFHVURJKSA-N -1 3 444.557 3.432 50 0 IGAAHM CCc1nc2sc([C@@H](c3cccc(OC)c3)N3CCC(C(=O)OC)CC3)c([O-])n2n1 ZINC000022853664 522536303 /nfs/dbraw/zinc/53/63/03/522536303.db2.gz UFAMQXKTRDFILT-QGZVFWFLSA-N -1 3 430.530 3.042 50 0 IGAAHM Cc1ccc(COC(=O)[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H](C)O)cc1 ZINC000020822286 524625978 /nfs/dbraw/zinc/62/59/78/524625978.db2.gz CMHORSOMRWDICU-SJKOYZFVSA-N -1 3 432.325 3.073 50 0 IGAAHM CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc(=O)[n-]c(=O)[nH]2)cc1 ZINC000012612206 526064133 /nfs/dbraw/zinc/06/41/33/526064133.db2.gz MZQVMAICVIIIAR-OAQYLSRUSA-N -1 3 432.505 3.054 50 0 IGAAHM O=C([O-])[C@H](c1c[nH]c2cc(Br)ccc21)N1CCN(Cc2cccnc2)CC1 ZINC000020716886 526315588 /nfs/dbraw/zinc/31/55/88/526315588.db2.gz FHQBXDILDLQCTO-IBGZPJMESA-N -1 3 429.318 3.269 50 0 IGAAHM O=c1[n-]c(CN2CCN(Cc3cc(Cl)c4c(c3)OCCCO4)CC2)nc2ccsc21 ZINC000022792839 527438705 /nfs/dbraw/zinc/43/87/05/527438705.db2.gz RYDHBRMFKKFPMT-UHFFFAOYSA-N -1 3 446.960 3.117 50 0 IGAAHM COC(=O)[C@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000001043342 555610175 /nfs/dbraw/zinc/61/01/75/555610175.db2.gz OLXHGNFFDVITJC-INIZCTEOSA-N -1 3 426.416 3.249 50 0 IGAAHM COc1cccc(CCc2ccccc2OC[C@@H](CN(C)C)OC(=O)CCC(=O)[O-])c1 ZINC000003874934 555950330 /nfs/dbraw/zinc/95/03/30/555950330.db2.gz FFYNAVGJSYHHFO-OAQYLSRUSA-N -1 3 429.513 3.197 50 0 world IGAAHM COc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)cc1OC ZINC000008915338 556232484 /nfs/dbraw/zinc/23/24/84/556232484.db2.gz VVCZJTICMGHIIA-ABSDTBQOSA-N -1 3 438.402 3.116 50 0 IGAAHM CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c([O-])c(OC)c2)C1=O ZINC000009261080 556268994 /nfs/dbraw/zinc/26/89/94/556268994.db2.gz MGRKFGKYPUJTQX-LQGZHCLWSA-N -1 3 430.276 3.151 50 0 IGAAHM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000032739761 556300517 /nfs/dbraw/zinc/30/05/17/556300517.db2.gz IXUVROMFFDSTCJ-GFCCVEGCSA-N -1 3 444.538 3.085 50 0 IGAAHM O=S(=O)([N-]Cc1ccc(Cn2cncn2)cc1)c1ccc(Cl)cc1C(F)(F)F ZINC000032870656 556459067 /nfs/dbraw/zinc/45/90/67/556459067.db2.gz LYPPBRWPIXXESO-UHFFFAOYSA-N -1 3 430.839 3.477 50 0 IGAAHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)c1cnn(-c2ccc(OC)cc2)c1C ZINC000014973573 556467741 /nfs/dbraw/zinc/46/77/41/556467741.db2.gz FUVQWJIRWNDQIS-LBPRGKRZSA-N -1 3 435.527 3.077 50 0 IGAAHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C)c1cnn(-c2ccc(OC)cc2)c1C ZINC000014973577 556467804 /nfs/dbraw/zinc/46/78/04/556467804.db2.gz FUVQWJIRWNDQIS-GFCCVEGCSA-N -1 3 435.527 3.077 50 0 IGAAHM CCCC(=O)N1CCC[C@@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)C1 ZINC000072311455 556583488 /nfs/dbraw/zinc/58/34/88/556583488.db2.gz YGMBUGBVGBKRPX-MRXNPFEDSA-N -1 3 435.952 3.261 50 0 IGAAHM COc1ccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2C)cc1 ZINC000032975558 556600164 /nfs/dbraw/zinc/60/01/64/556600164.db2.gz PUKSCKWMYHNQMF-WOJBJXKFSA-N -1 3 442.537 3.480 50 0 IGAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NC4CC4)c3c2)cc1 ZINC000017121942 556668264 /nfs/dbraw/zinc/66/82/64/556668264.db2.gz FAHCYVNCFVUJCD-UHFFFAOYSA-N -1 3 427.482 3.032 50 0 IGAAHM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)n(C)c(=O)n2C ZINC000064591821 556825487 /nfs/dbraw/zinc/82/54/87/556825487.db2.gz QDRMURQVESBRNQ-UHFFFAOYSA-N -1 3 444.738 3.402 50 0 IGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3cccnc3)cc2)cc1C ZINC000016527195 556841108 /nfs/dbraw/zinc/84/11/08/556841108.db2.gz UUKIHCDDHMYJHB-UHFFFAOYSA-N -1 3 425.510 3.194 50 0 IGAAHM O=C(NCc1cscn1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000033138979 556872850 /nfs/dbraw/zinc/87/28/50/556872850.db2.gz FYEBJVDXGDRRHE-AWEZNQCLSA-N -1 3 441.987 3.064 50 0 IGAAHM COc1ccc(-c2nc3c(c(=O)[n-]2)CCN(C(=O)Cc2ccc(OC)c(Cl)c2)C3)cc1 ZINC000097125003 556991116 /nfs/dbraw/zinc/99/11/16/556991116.db2.gz VXPXGJVZGRTHIM-UHFFFAOYSA-N -1 3 439.899 3.235 50 0 IGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C1(c2nc(-c3cnccn3)no2)CCCCC1 ZINC000077197529 556996831 /nfs/dbraw/zinc/99/68/31/556996831.db2.gz VNOAQNBXEOLOTR-UHFFFAOYSA-N -1 3 449.920 3.327 50 0 IGAAHM CCC(NC1CCN(Cc2ccccc2)CC1)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000020323893 557007754 /nfs/dbraw/zinc/00/77/54/557007754.db2.gz LYWVCODDEUUHKZ-QURGRASLSA-N -1 3 432.524 3.188 50 0 IGAAHM Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)[N-]CCC(C)C)c1)NC(=O)CCC2=O ZINC000033276570 557057097 /nfs/dbraw/zinc/05/70/97/557057097.db2.gz CQVPBGZGOLKFIG-UHFFFAOYSA-N -1 3 438.937 3.209 50 0 IGAAHM CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3n[n-]c(-c4ccccc4OC)n3)cc2)c1C ZINC000048373844 557075954 /nfs/dbraw/zinc/07/59/54/557075954.db2.gz BJCUZLPEBMPVLS-UHFFFAOYSA-N -1 3 446.467 3.403 50 0 IGAAHM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]C[C@H]2CCCO2)s1 ZINC000033306537 557085320 /nfs/dbraw/zinc/08/53/20/557085320.db2.gz AQQLJBZQRNJVKE-STMXVASLSA-N -1 3 425.532 3.021 50 0 IGAAHM COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCCC(C)C)cc(Br)c1[O-] ZINC000000725546 557154246 /nfs/dbraw/zinc/15/42/46/557154246.db2.gz IXEPRGVRSDMYPQ-OAHLLOKOSA-N -1 3 427.295 3.381 50 0 IGAAHM CCCCc1noc([C@H](C)Sc2nc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C2CC2)n1 ZINC000024834540 557171572 /nfs/dbraw/zinc/17/15/72/557171572.db2.gz UUZDRXBHTUGJKI-JTQLQIEISA-N -1 3 428.518 3.271 50 0 IGAAHM CC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000100877297 557195678 /nfs/dbraw/zinc/19/56/78/557195678.db2.gz UOXCUMIRKOOANI-AEFFLSMTSA-N -1 3 426.270 3.081 50 0 IGAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000025899285 557229735 /nfs/dbraw/zinc/22/97/35/557229735.db2.gz MGTCPRHAFAZBDN-JOCHJYFZSA-N -1 3 431.517 3.316 50 0 IGAAHM CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)[N-]C1=NCCS1 ZINC000013956030 557397875 /nfs/dbraw/zinc/39/78/75/557397875.db2.gz SDCMJHPDGDAPKT-UHFFFAOYSA-N -1 3 431.587 3.067 50 0 IGAAHM COc1ccc2nc(NC(=O)[C@H]([N-]S(=O)(=O)c3cccs3)C(C)C)sc2c1 ZINC000004035308 562941058 /nfs/dbraw/zinc/94/10/58/562941058.db2.gz HGOOYRMIPRDGGV-OAHLLOKOSA-N -1 3 425.557 3.308 50 0 IGAAHM Cc1csc2nc(C)c(S(=O)(=O)[N-]c3ccc(CN4CCCCC4)cc3)c(=O)n12 ZINC000020178119 563023925 /nfs/dbraw/zinc/02/39/25/563023925.db2.gz WLNNDDUELBUHAA-UHFFFAOYSA-N -1 3 432.571 3.160 50 0 IGAAHM CSCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NC1CCCC1 ZINC000015593196 568799242 /nfs/dbraw/zinc/79/92/42/568799242.db2.gz SCJHPHNWHOTJGX-CQSZACIVSA-N -1 3 425.403 3.452 50 0 IGAAHM O=C(CCCOc1ccc(F)cc1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000013018676 568902022 /nfs/dbraw/zinc/90/20/22/568902022.db2.gz ORDKRDKYBGQVLE-UHFFFAOYSA-N -1 3 426.535 3.016 50 0 IGAAHM CCc1c(C(=O)OC)sc2[n-]c(CN(C[C@@H](O)c3ccccc3)C3CC3)nc(=O)c12 ZINC000036206738 568972652 /nfs/dbraw/zinc/97/26/52/568972652.db2.gz PLSATSYXQFQXIX-MRXNPFEDSA-N -1 3 427.526 3.032 50 0 IGAAHM CS(=O)(=O)[N-]c1ccc(C(=O)CCNc2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000036646382 569130430 /nfs/dbraw/zinc/13/04/30/569130430.db2.gz DXFJSDRZKSOVNZ-UHFFFAOYSA-N -1 3 429.542 3.369 50 0 IGAAHM Cc1oc(C[N-]S(=O)(=O)c2ccc3c(c2)CCCC3)nc1C(=O)N1CCC(C)CC1 ZINC000065293836 569131075 /nfs/dbraw/zinc/13/10/75/569131075.db2.gz UNQVHVISGAXPRP-UHFFFAOYSA-N -1 3 431.558 3.212 50 0 IGAAHM NC(=O)[C@@H]1CCCN1Cc1ccccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000170617477 569147378 /nfs/dbraw/zinc/14/73/78/569147378.db2.gz YONNBSOGUFNMNA-SFHVURJKSA-N -1 3 442.368 3.385 50 0 IGAAHM CCOC(=O)C[C@@H](c1ccc(OC)c(OC2CCCC2)c1)c1oc(CO)cc(=O)c1[O-] ZINC000071283795 569150802 /nfs/dbraw/zinc/15/08/02/569150802.db2.gz LXPOTWSNGWNCLX-KRWDZBQOSA-N -1 3 432.469 3.253 50 0 IGAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H](C)N3CCSCC3)ccc2C)cc1 ZINC000089651314 569160663 /nfs/dbraw/zinc/16/06/63/569160663.db2.gz DINSNPZQCQUOEH-MRXNPFEDSA-N -1 3 449.598 3.180 50 0 IGAAHM O=C(c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1)N1CC[C@@H](CCO)C1 ZINC000089788115 569163238 /nfs/dbraw/zinc/16/32/38/569163238.db2.gz DCVKSSOEWXEXDS-ZDUSSCGKSA-N -1 3 426.897 3.124 50 0 IGAAHM COc1cccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCc2cc(C)ccc2C)c1 ZINC000017026176 569170980 /nfs/dbraw/zinc/17/09/80/569170980.db2.gz FZIZSQCEHBXRBK-UHFFFAOYSA-N -1 3 449.536 3.152 50 0 IGAAHM Cc1cc(S(=O)(=O)[N-]CC2CCN(c3ncc(F)cn3)CC2)c(Cl)cc1Cl ZINC000252480209 569186319 /nfs/dbraw/zinc/18/63/19/569186319.db2.gz BYCADCVZUGPIBJ-UHFFFAOYSA-N -1 3 433.336 3.426 50 0 IGAAHM COc1cccc(CNC(=O)CN2CCc3[n-]c4c(OC)ccc(Cl)c4c(=O)c3C2)c1 ZINC000096326891 569396112 /nfs/dbraw/zinc/39/61/12/569396112.db2.gz DZDJCWFICRGESI-UHFFFAOYSA-N -1 3 441.915 3.286 50 0 IGAAHM Cc1nnc(NC(=O)CSc2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]2)s1 ZINC000002718079 569418057 /nfs/dbraw/zinc/41/80/57/569418057.db2.gz VTOGGRYOQVMNHL-UHFFFAOYSA-N -1 3 427.515 3.029 50 0 IGAAHM Cc1c(Br)cnn1Cc1n[n-]c(=S)n1-c1cnn(Cc2ccc(C)cc2)c1 ZINC000002808236 569422708 /nfs/dbraw/zinc/42/27/08/569422708.db2.gz JCLIZXNVSAWUDN-UHFFFAOYSA-N -1 3 444.362 3.425 50 0 IGAAHM CCCN1CCc2nc(SCC(=O)Nc3ccc(Br)cc3)[n-]c(=O)c2C1 ZINC000067291776 569467727 /nfs/dbraw/zinc/46/77/27/569467727.db2.gz KJQVZVFUCNVOSJ-UHFFFAOYSA-N -1 3 437.363 3.444 50 0 IGAAHM O=c1ccc(-c2cccs2)nn1CC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000008954907 569490041 /nfs/dbraw/zinc/49/00/41/569490041.db2.gz JKGFDOFLPRNOGU-UHFFFAOYSA-N -1 3 430.338 3.257 50 0 IGAAHM COc1ccc(F)cc1-c1csc(NC(=O)C2([N-]S(C)(=O)=O)CCCCC2)n1 ZINC000040155171 569493874 /nfs/dbraw/zinc/49/38/74/569493874.db2.gz DUERJXRFMQLCGX-UHFFFAOYSA-N -1 3 427.523 3.148 50 0 IGAAHM Cc1ccc(CS(=O)(=O)[N-]C[C@H](c2cccnc2)S(=O)(=O)c2ccccc2)cc1 ZINC000009005322 569496101 /nfs/dbraw/zinc/49/61/01/569496101.db2.gz UUTONYSJEOLAFK-OAQYLSRUSA-N -1 3 430.551 3.025 50 0 IGAAHM O=C1c2cccnc2C(=O)N1CCc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000009211518 569511732 /nfs/dbraw/zinc/51/17/32/569511732.db2.gz AJUZVXICUMXGMN-UHFFFAOYSA-N -1 3 441.896 3.375 50 0 IGAAHM C[C@@H](Sc1nnc(Cc2cccs2)n1C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000009245105 569515196 /nfs/dbraw/zinc/51/51/96/569515196.db2.gz RKRONKIRBOCOJI-GFCCVEGCSA-N -1 3 436.584 3.202 50 0 IGAAHM O=C(CC1CCCC1)N1CCC(c2nc3c(nnn3Cc3cccc(F)c3)c(=O)[n-]2)CC1 ZINC000009250533 569515693 /nfs/dbraw/zinc/51/56/93/569515693.db2.gz UZWHHNGLCQNCJX-UHFFFAOYSA-N -1 3 438.507 3.401 50 0 IGAAHM COc1cccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SC/C=C/c2ccccc2)c1 ZINC000009382011 569528164 /nfs/dbraw/zinc/52/81/64/569528164.db2.gz XNFUWCHHGIIQJE-RMKNXTFCSA-N -1 3 447.520 3.049 50 0 IGAAHM CSCc1nnc([N-]C(=O)c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)o1 ZINC000009416814 569532390 /nfs/dbraw/zinc/53/23/90/569532390.db2.gz ZFVRNLZHEVVIEL-UHFFFAOYSA-N -1 3 432.527 3.006 50 0 IGAAHM O=C(NCc1ccc2c(c1)OCO2)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000009460348 569536923 /nfs/dbraw/zinc/53/69/23/569536923.db2.gz SHMBNLOSJOGUCY-UHFFFAOYSA-N -1 3 443.308 3.093 50 0 IGAAHM CCN(CC)C(=O)c1cnc2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2c1[O-] ZINC000009495333 569541128 /nfs/dbraw/zinc/54/11/28/569541128.db2.gz ATUYQCAINFTLDG-UHFFFAOYSA-N -1 3 427.526 3.225 50 0 IGAAHM C[C@@H]1CCCC[C@H]1NC(=O)[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000009692546 569561160 /nfs/dbraw/zinc/56/11/60/569561160.db2.gz ANVOZVAEHONJAH-IDHHARJASA-N -1 3 444.582 3.406 50 0 IGAAHM COc1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1S(=O)(=O)N(C)C ZINC000009738784 569564890 /nfs/dbraw/zinc/56/48/90/569564890.db2.gz WLWXFNMHPJRPPE-UHFFFAOYSA-N -1 3 440.587 3.288 50 0 IGAAHM O=C(NCCOc1ccccc1)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccnc2)c1 ZINC000009834074 569570592 /nfs/dbraw/zinc/57/05/92/569570592.db2.gz GOOLPZOXZNIJKS-UHFFFAOYSA-N -1 3 445.928 3.022 50 0 IGAAHM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)Nc1ccc2c(c1)OCCCO2 ZINC000009961347 569575632 /nfs/dbraw/zinc/57/56/32/569575632.db2.gz FZPHSBYZWDQQPC-UHFFFAOYSA-N -1 3 449.492 3.413 50 0 IGAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)N3CCN(c4ccc(F)cc4)CC3)cc2O1 ZINC000009411044 132316133 /nfs/dbraw/zinc/31/61/33/132316133.db2.gz OQISFKSMRVBXDW-UHFFFAOYSA-N -1 3 428.460 3.003 50 0 IGAAHM O=c1cc(CSc2ncccn2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[n-]1 ZINC000013611751 132351983 /nfs/dbraw/zinc/35/19/83/132351983.db2.gz JEPDMPWSJIIXLB-UHFFFAOYSA-N -1 3 448.474 3.198 50 0 IGAAHM CCCCc1nn2c(nc(CSc3nnc([N-]C(=O)c4ccco4)s3)cc2=O)s1 ZINC000020983783 521313006 /nfs/dbraw/zinc/31/30/06/521313006.db2.gz FFCANCUFCYXSGE-UHFFFAOYSA-N -1 3 448.555 3.483 50 0 IGAAHM CCNC(=O)[C@H]1CCCN1C(=O)c1cccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000021662576 521747021 /nfs/dbraw/zinc/74/70/21/521747021.db2.gz YQVYZUCUEYSGFD-HXUWFJFHSA-N -1 3 443.569 3.153 50 0 IGAAHM COc1ccc(CN2CCN([C@H](C(=O)[O-])c3c[nH]c4ccccc43)CC2)c(OC)c1OC ZINC000020745372 524033044 /nfs/dbraw/zinc/03/30/44/524033044.db2.gz JWBSVPKDLMIPQU-NRFANRHFSA-N -1 3 439.512 3.137 50 0 IGAAHM COc1ccccc1OCCOc1ccc(C)cc1[C@@H]1SC([N-]C(C)=O)=NN1C(C)=O ZINC000020896274 524676221 /nfs/dbraw/zinc/67/62/21/524676221.db2.gz WXZRNTSZEIHRON-NRFANRHFSA-N -1 3 443.525 3.462 50 0 IGAAHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccco2)N(C)C)cc1 ZINC000012605030 525272572 /nfs/dbraw/zinc/27/25/72/525272572.db2.gz HYNNBJYBGXKKIG-HXUWFJFHSA-N -1 3 427.526 3.422 50 0 IGAAHM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccco3)N(C)C)c2)cc1 ZINC000012604884 525304851 /nfs/dbraw/zinc/30/48/51/525304851.db2.gz DSLYHXQEQKMUDN-HXUWFJFHSA-N -1 3 427.526 3.422 50 0 IGAAHM COc1ccc([C@H](NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)c2ccccc2)cc1 ZINC000012817769 525365353 /nfs/dbraw/zinc/36/53/53/525365353.db2.gz NNSHEIKYVQUMOL-HSZRJFAPSA-N -1 3 429.476 3.407 50 0 IGAAHM CSc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc(=O)[n-]c(=O)[nH]2)cc1 ZINC000012612201 526078455 /nfs/dbraw/zinc/07/84/55/526078455.db2.gz MZQVMAICVIIIAR-NRFANRHFSA-N -1 3 432.505 3.054 50 0 IGAAHM Cc1csc(=O)n1CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000022744026 526306356 /nfs/dbraw/zinc/30/63/56/526306356.db2.gz YABVGUKDTAGERE-UHFFFAOYSA-N -1 3 435.502 3.105 50 0 IGAAHM CCn1c(SCC(=O)Nc2ccccc2N2CCOCC2)nnc1-c1ccccc1[O-] ZINC000013124626 535995368 /nfs/dbraw/zinc/99/53/68/535995368.db2.gz APAVLZPXNBVDLP-UHFFFAOYSA-N -1 3 439.541 3.238 50 0 IGAAHM COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@@H]2c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000000706355 555544577 /nfs/dbraw/zinc/54/45/77/555544577.db2.gz VSPNKNNRXKIFLM-GOSISDBHSA-N -1 3 432.860 3.434 50 0 IGAAHM COc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OCC(C)C)cc(Br)c1[O-] ZINC000000821060 555563831 /nfs/dbraw/zinc/56/38/31/555563831.db2.gz CICKAZYHTFIMRA-OAHLLOKOSA-N -1 3 427.295 3.333 50 0 IGAAHM COc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OCC(C)C)cc(Br)c1[O-] ZINC000000821061 555563860 /nfs/dbraw/zinc/56/38/60/555563860.db2.gz CICKAZYHTFIMRA-HNNXBMFYSA-N -1 3 427.295 3.333 50 0 IGAAHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)CSc1nccn1-c1cccc(F)c1 ZINC000032904572 556544396 /nfs/dbraw/zinc/54/43/96/556544396.db2.gz QRQQJRFAQYUDFO-UHFFFAOYSA-N -1 3 429.502 3.060 50 0 IGAAHM COc1ccc(-c2nn3c(nnc3SCC(=O)Nc3c(C)cccc3C)[n-]c2=O)cc1 ZINC000015882040 556560948 /nfs/dbraw/zinc/56/09/48/556560948.db2.gz NOTDPZBNLYWESU-UHFFFAOYSA-N -1 3 436.497 3.248 50 0 IGAAHM CN1CCCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000016097324 556582694 /nfs/dbraw/zinc/58/26/94/556582694.db2.gz VJANLSHKFNPPCQ-UHFFFAOYSA-N -1 3 431.949 3.226 50 0 IGAAHM Cc1nc(N2CCN(C)CC2)ncc1-c1cc(=O)[n-]c(Nc2cc(Cl)cc(Cl)c2)n1 ZINC000036235668 556595087 /nfs/dbraw/zinc/59/50/87/556595087.db2.gz LDUNGULQGSCAPP-UHFFFAOYSA-N -1 3 446.342 3.338 50 0 IGAAHM C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011718672 556644475 /nfs/dbraw/zinc/64/44/75/556644475.db2.gz RYZSAFYBLCYYRV-ZDUSSCGKSA-N -1 3 427.979 3.171 50 0 IGAAHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(=O)[nH]c3)ccc2C)cc1 ZINC000033028746 556709308 /nfs/dbraw/zinc/70/93/08/556709308.db2.gz YEBLPUNHPPYDQB-UHFFFAOYSA-N -1 3 427.482 3.135 50 0 IGAAHM CC[C@@H](C)NC(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000033033980 556715658 /nfs/dbraw/zinc/71/56/58/556715658.db2.gz KTPIWGDILZDSEM-GOSISDBHSA-N -1 3 444.601 3.042 50 0 IGAAHM CCCN1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)COc4ccccc4)ccc3n2)CC1 ZINC000033260869 556897679 /nfs/dbraw/zinc/89/76/79/556897679.db2.gz LXFUPGKDOPIODY-UHFFFAOYSA-N -1 3 448.523 3.483 50 0 IGAAHM O=C(c1cccc(OC(F)(F)F)c1)N1C[C@@H]2C[C@H]1C[C@@H]2[N-]S(=O)(=O)c1cccs1 ZINC000097136904 556991646 /nfs/dbraw/zinc/99/16/46/556991646.db2.gz YDODHJNOJKDBCB-YDHLFZDLSA-N -1 3 446.472 3.228 50 0 IGAAHM CC(C)c1ccc(S(=O)(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000010680193 557000656 /nfs/dbraw/zinc/00/06/56/557000656.db2.gz BPRIQWNKSPFVNM-UHFFFAOYSA-N -1 3 428.601 3.003 50 0 IGAAHM O=C(Nc1ccc(F)cc1F)C1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000046074639 557030527 /nfs/dbraw/zinc/03/05/27/557030527.db2.gz JEOLRJFPUITHHO-CYBMUJFWSA-N -1 3 442.447 3.405 50 0 IGAAHM CCOC(=O)c1nn(-c2ccccc2F)c(=O)c2c1csc2[N-]C(=O)c1cc(C)on1 ZINC000048984966 557081917 /nfs/dbraw/zinc/08/19/17/557081917.db2.gz UNFYVIOBYQRJKW-UHFFFAOYSA-N -1 3 442.428 3.312 50 0 IGAAHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000024588549 557152276 /nfs/dbraw/zinc/15/22/76/557152276.db2.gz AELPUVNYEOXAMZ-UHFFFAOYSA-N -1 3 434.468 3.074 50 0 IGAAHM Cc1ccc(-c2cc([N-]C(=O)CNc3cccc(S(=O)(=O)N4CCCC4)c3)on2)cc1 ZINC000024843417 557173952 /nfs/dbraw/zinc/17/39/52/557173952.db2.gz NRBQHOLONZGMRT-UHFFFAOYSA-N -1 3 440.525 3.485 50 0 IGAAHM CCOc1ccc(N2C(=O)C(=C3C(=O)Nc4ccc(Br)cc43)[N-]C2=S)cc1 ZINC000100882013 557198329 /nfs/dbraw/zinc/19/83/29/557198329.db2.gz DSLNOPVAGRQLDL-NXVVXOECSA-N -1 3 444.310 3.432 50 0 IGAAHM CCS(=O)(=O)c1ncc(Br)c(C(=O)[N-]c2nc3ccc(C)cc3s2)n1 ZINC000027748969 557273215 /nfs/dbraw/zinc/27/32/15/557273215.db2.gz PEWMPUHLEVUKAS-UHFFFAOYSA-N -1 3 441.332 3.203 50 0 IGAAHM O=S(=O)([N-]CCNc1ccc(Nc2ccncc2)nn1)c1cc(Cl)ccc1Cl ZINC000011697862 557395058 /nfs/dbraw/zinc/39/50/58/557395058.db2.gz OVVPXRQOEXJNHD-UHFFFAOYSA-N -1 3 439.328 3.312 50 0 IGAAHM Cc1cc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccc(Cl)s2)no1 ZINC000012028792 557524578 /nfs/dbraw/zinc/52/45/78/557524578.db2.gz JWANXBHKQOPENI-ZDUSSCGKSA-N -1 3 425.919 3.226 50 0 IGAAHM CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]Cc3cccs3)cc21 ZINC000040450342 557734006 /nfs/dbraw/zinc/73/40/06/557734006.db2.gz XUDSSVJDOOKOQD-UHFFFAOYSA-N -1 3 429.361 3.288 50 0 IGAAHM CN1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c(Cl)cc2Cl)CC1 ZINC000003215608 562932899 /nfs/dbraw/zinc/93/28/99/562932899.db2.gz UHROPNDJFPWTCP-UHFFFAOYSA-N -1 3 446.331 3.321 50 0 IGAAHM CCCCn1c(=O)[n-]c(=O)c2c(C(=O)OCC)cc(-c3ccc(OC(F)F)cc3)nc21 ZINC000003293478 562933849 /nfs/dbraw/zinc/93/38/49/562933849.db2.gz ZWOFYGCTGNLJLB-UHFFFAOYSA-N -1 3 433.411 3.330 50 0 IGAAHM O=C(c1ccco1)N1CCN(Cc2nc(=O)c3c(-c4cccs4)csc3[n-]2)CC1 ZINC000025391045 568656195 /nfs/dbraw/zinc/65/61/95/568656195.db2.gz NODCDKDMCPNQFJ-UHFFFAOYSA-N -1 3 426.523 3.264 50 0 IGAAHM Cc1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)N3CCCc4ccccc43)n2)cc1 ZINC000015732545 568815184 /nfs/dbraw/zinc/81/51/84/568815184.db2.gz AQOQXDHUQHQDBK-UHFFFAOYSA-N -1 3 431.521 3.465 50 0 IGAAHM CCOc1cc([C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OC(=O)c1ccc(F)cc1 ZINC000015832899 568842243 /nfs/dbraw/zinc/84/22/43/568842243.db2.gz ANCSYBOKMQRJCS-IBGZPJMESA-N -1 3 445.472 3.445 50 0 IGAAHM COc1ccc(OC)c(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)c1 ZINC000015865784 568850588 /nfs/dbraw/zinc/85/05/88/568850588.db2.gz TUKJOHLCCDAJPW-GOSISDBHSA-N -1 3 446.550 3.294 50 0 IGAAHM CC(=O)N[C@H](CC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1)c1ccc(Cl)cc1 ZINC000016112380 568870726 /nfs/dbraw/zinc/87/07/26/568870726.db2.gz JMJZWXDBZRFWGV-HXUWFJFHSA-N -1 3 443.931 3.490 50 0 IGAAHM CC[C@@H](C)NC(=O)c1cnc2ccc(S(=O)(=O)N(C)c3cccc(C)c3)cc2c1[O-] ZINC000006296684 568882205 /nfs/dbraw/zinc/88/22/05/568882205.db2.gz QXFCZBCZKQIZGA-OAHLLOKOSA-N -1 3 427.526 3.190 50 0 IGAAHM COC(=O)c1ccc(COC(=O)[C@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000009466464 568883627 /nfs/dbraw/zinc/88/36/27/568883627.db2.gz IIADNWQTHDPUJI-NSHDSACASA-N -1 3 446.308 3.190 50 0 IGAAHM O=C([N-]c1ccc(F)c(F)c1)c1nnc([C@@H]2CCCN2C(=O)NC[C@@H]2CCCO2)s1 ZINC000064930878 568989262 /nfs/dbraw/zinc/98/92/62/568989262.db2.gz AJBQCSWGZVRJEY-WFASDCNBSA-N -1 3 437.472 3.094 50 0 IGAAHM O=C(Nc1cccc2c1CCCC2)c1cnc2c(c1)c(=O)[n-]c(=O)n2Cc1ccccc1 ZINC000036392965 569098480 /nfs/dbraw/zinc/09/84/80/569098480.db2.gz JIPZSLRQCGKMOY-UHFFFAOYSA-N -1 3 426.476 3.264 50 0 IGAAHM COc1cc2c(cc1OC)[C@@H](NC(=O)COc1cc([O-])c3c(c1)OC(C)(C)CC3=O)CC2 ZINC000524730541 569126100 /nfs/dbraw/zinc/12/61/00/569126100.db2.gz MTPMWJCHHYYYNB-INIZCTEOSA-N -1 3 441.480 3.336 50 0 IGAAHM Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)[N-]c3ccc4c(c3)CCO4)cc2)cc1 ZINC000065585597 569139979 /nfs/dbraw/zinc/13/99/79/569139979.db2.gz KISCIIWAOOHPTL-UHFFFAOYSA-N -1 3 445.518 3.498 50 0 IGAAHM Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(CSc3nc(N)n[nH]3)nc(=O)c12 ZINC000089614120 569159814 /nfs/dbraw/zinc/15/98/14/569159814.db2.gz YJCDLZWRMABTLZ-UHFFFAOYSA-N -1 3 441.542 3.155 50 0 IGAAHM COc1ccccc1-n1ncc2c1nc(SCC(=O)NCc1ccc(C)cc1)[n-]c2=O ZINC000017041357 569171514 /nfs/dbraw/zinc/17/15/14/569171514.db2.gz STJHLNIMTHCJNZ-UHFFFAOYSA-N -1 3 435.509 3.247 50 0 IGAAHM COc1ccccc1OCCOc1ccccc1[C@@H]1SC([N-]C(C)=O)=NN1C(C)=O ZINC000020896056 569375076 /nfs/dbraw/zinc/37/50/76/569375076.db2.gz ZEWUKTCCTHFHAR-FQEVSTJZSA-N -1 3 429.498 3.154 50 0 IGAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2cc3ccccc3[nH]c2=O)CCO1 ZINC000096117900 569384284 /nfs/dbraw/zinc/38/42/84/569384284.db2.gz JVJXDWSPQNNGNE-ACJLOTCBSA-N -1 3 440.525 3.335 50 0 IGAAHM Cc1ccc(OCc2nc(SCC(=O)Nc3sc4c(c3C(N)=O)CCC4)n[n-]2)cc1 ZINC000003365236 569448075 /nfs/dbraw/zinc/44/80/75/569448075.db2.gz BOFJFFBRUHRBFN-UHFFFAOYSA-N -1 3 443.554 3.072 50 0 IGAAHM Cc1ccccc1OCc1nc(SCC(=O)Nc2ccccc2C(=O)NC2CC2)n[n-]1 ZINC000008733831 569472548 /nfs/dbraw/zinc/47/25/48/569472548.db2.gz IWADSFVVXHDVIC-UHFFFAOYSA-N -1 3 437.525 3.315 50 0 IGAAHM CS(=O)(=O)[N-]c1ccc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)cc1 ZINC000008862108 569480098 /nfs/dbraw/zinc/48/00/98/569480098.db2.gz FHDJXYXYIZHGAK-UHFFFAOYSA-N -1 3 428.539 3.491 50 0 IGAAHM C[C@]1(c2cccc(NC(=O)CSCc3nc4ccccc4s3)c2)NC(=O)[N-]C1=O ZINC000040117803 569489276 /nfs/dbraw/zinc/48/92/76/569489276.db2.gz OGCFJTJUODHNKX-HXUWFJFHSA-N -1 3 426.523 3.223 50 0 IGAAHM O=c1ccc(-c2cccs2)nn1CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000008954949 569490049 /nfs/dbraw/zinc/49/00/49/569490049.db2.gz NYSXLRFZEQIXTD-UHFFFAOYSA-N -1 3 430.338 3.257 50 0 IGAAHM O=S(=O)([N-]C[C@@H](c1ccco1)N1CCSCC1)c1ccc(Br)s1 ZINC000244933262 569496495 /nfs/dbraw/zinc/49/64/95/569496495.db2.gz CJQWHMIFTMRHQZ-NSHDSACASA-N -1 3 437.406 3.172 50 0 IGAAHM O=S(=O)([N-]C[C@H](c1ccco1)N1CCSCC1)c1ccc(Br)s1 ZINC000244933261 569496482 /nfs/dbraw/zinc/49/64/82/569496482.db2.gz CJQWHMIFTMRHQZ-LLVKDONJSA-N -1 3 437.406 3.172 50 0 IGAAHM COc1ccc(N2C[C@@H](C[N-]S(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1 ZINC000009035825 569497320 /nfs/dbraw/zinc/49/73/20/569497320.db2.gz VKUSWOINPUVFGA-CYBMUJFWSA-N -1 3 428.432 3.045 50 0 IGAAHM CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]Cc3ccc(F)cc3)cc21 ZINC000040450309 569506302 /nfs/dbraw/zinc/50/63/02/569506302.db2.gz RYCRVTKPQJKDIU-UHFFFAOYSA-N -1 3 441.322 3.366 50 0 IGAAHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)N(C[C@H]3CCCO3)C[C@H]3CCCO3)c2)n1 ZINC000069451239 569506535 /nfs/dbraw/zinc/50/65/35/569506535.db2.gz AWGCVWNJTAGPSE-WOJBJXKFSA-N -1 3 426.517 3.191 50 0 IGAAHM CCN1c2cc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)ccc2OCC(C)(C)C1=O ZINC000009170450 569509310 /nfs/dbraw/zinc/50/93/10/569509310.db2.gz IKHLXJUYPLAYHM-UHFFFAOYSA-N -1 3 434.514 3.276 50 0 IGAAHM CC(C)(C)OC(=O)N1CCC(c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[n-]2)CC1 ZINC000009195434 569511007 /nfs/dbraw/zinc/51/10/07/569511007.db2.gz WHVYCIDUURAXCX-UHFFFAOYSA-N -1 3 444.923 3.331 50 0 IGAAHM Cc1ccccc1CC(=O)N1CCC(c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)CC1 ZINC000009250504 569515681 /nfs/dbraw/zinc/51/56/81/569515681.db2.gz WPGSHHJYFXNFNB-UHFFFAOYSA-N -1 3 442.523 3.232 50 0 IGAAHM CCOc1cc([C@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCO)ccc1O ZINC000009293098 569520140 /nfs/dbraw/zinc/52/01/40/569520140.db2.gz SXOQDWPVYVRITA-NRFANRHFSA-N -1 3 443.887 3.386 50 0 IGAAHM C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1)c1ccc2c(c1)OCCO2 ZINC000009412618 569531604 /nfs/dbraw/zinc/53/16/04/569531604.db2.gz NEYDQPPXQCNRAL-LBPRGKRZSA-N -1 3 436.917 3.043 50 0 IGAAHM C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)[N-]c3nnc(-c4ccco4)o3)cc2)C1 ZINC000009427843 569533420 /nfs/dbraw/zinc/53/34/20/569533420.db2.gz UDXGNWZVLWNUOT-KBPBESRZSA-N -1 3 430.486 3.249 50 0 IGAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(N3CCCS3(=O)=O)c2)cc1 ZINC000009569136 569547600 /nfs/dbraw/zinc/54/76/00/569547600.db2.gz QDIAYAMRLGAUGC-UHFFFAOYSA-N -1 3 430.935 3.079 50 0 IGAAHM CCOC(=O)N=c1[n-]c2c(s1)CN(C(=O)c1cc(-c3ccc(F)cc3)nn1C)CC2 ZINC000077196343 569586053 /nfs/dbraw/zinc/58/60/53/569586053.db2.gz RNQRVSPKJPZYFF-UHFFFAOYSA-N -1 3 429.477 3.450 50 0 IGAAHM Cc1cccc(Cc2c(C)nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)[n-]c2=O)c1 ZINC000009614661 132323708 /nfs/dbraw/zinc/32/37/08/132323708.db2.gz KCXCQFWDZDOGPA-UHFFFAOYSA-N -1 3 432.524 3.028 50 0 IGAAHM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccccc1Cl ZINC000012413289 520888630 /nfs/dbraw/zinc/88/86/30/520888630.db2.gz ODQDSONVCKWRCT-INIZCTEOSA-N -1 3 427.906 3.330 50 0 IGAAHM CC1CCN(S(=O)(=O)c2ccc3ncc(C(=O)N(C)C4CCCCC4)c([O-])c3c2)CC1 ZINC000020664396 521031893 /nfs/dbraw/zinc/03/18/93/521031893.db2.gz KZISZGSKIVMWHX-UHFFFAOYSA-N -1 3 445.585 3.353 50 0 IGAAHM CCCn1c(=O)[n-]nc1SCC(=O)Nc1scc(-c2ccco2)c1C(=O)OCC ZINC000022616694 521614424 /nfs/dbraw/zinc/61/44/24/521614424.db2.gz YHADTRWPDRRSOK-UHFFFAOYSA-N -1 3 436.515 3.210 50 0 IGAAHM CCc1nc2sc([C@H](c3cccc(OC)c3)N3CCC(C(=O)OC)CC3)c([O-])n2n1 ZINC000022853661 522536250 /nfs/dbraw/zinc/53/62/50/522536250.db2.gz UFAMQXKTRDFILT-KRWDZBQOSA-N -1 3 430.530 3.042 50 0 IGAAHM COc1cc([C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)cc(Cl)c1OC(=O)c1ccco1 ZINC000020895825 522931466 /nfs/dbraw/zinc/93/14/66/522931466.db2.gz BVSRPNFXJATQFX-INIZCTEOSA-N -1 3 437.861 3.162 50 0 IGAAHM COCCN1CCCc2ccc([N-]S(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)cc21 ZINC000035588258 523836905 /nfs/dbraw/zinc/83/69/05/523836905.db2.gz PVMWTVOSASIGDW-UHFFFAOYSA-N -1 3 431.558 3.481 50 0 IGAAHM C[C@H]1CN(C(C)(C)CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C[C@H](C)O1 ZINC000012507849 524555679 /nfs/dbraw/zinc/55/56/79/524555679.db2.gz QKNAGGMBPGKZIT-ROUUACIJSA-N -1 3 445.585 3.105 50 0 IGAAHM Cc1ccc(COC(=O)[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H](C)O)cc1 ZINC000020822292 524627133 /nfs/dbraw/zinc/62/71/33/524627133.db2.gz CMHORSOMRWDICU-PXAZEXFGSA-N -1 3 432.325 3.073 50 0 IGAAHM Cc1cc(NC(=O)CN2CCC(C(=O)Nc3ccccc3[O-])CC2)n(-c2ccc(C)cc2)n1 ZINC000012567716 525137253 /nfs/dbraw/zinc/13/72/53/525137253.db2.gz DCBSEJNAGGRADO-UHFFFAOYSA-N -1 3 447.539 3.484 50 0 IGAAHM C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000012593090 526003438 /nfs/dbraw/zinc/00/34/38/526003438.db2.gz YDLVVBJWAHRVLZ-CQSZACIVSA-N -1 3 434.525 3.294 50 0 IGAAHM O=S(=O)([N-]C[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)c1cccs1 ZINC000020614883 527226855 /nfs/dbraw/zinc/22/68/55/527226855.db2.gz KWIBZBUGWWXRPG-GOSISDBHSA-N -1 3 435.546 3.322 50 0 IGAAHM O=C(Nc1nc2ccccc2[nH]1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000012756086 527514953 /nfs/dbraw/zinc/51/49/53/527514953.db2.gz MIQRQADVQGQSHX-IBGZPJMESA-N -1 3 438.484 3.230 50 0 IGAAHM COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@H]2c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000000706356 555544665 /nfs/dbraw/zinc/54/46/65/555544665.db2.gz VSPNKNNRXKIFLM-SFHVURJKSA-N -1 3 432.860 3.434 50 0 IGAAHM O=C(CSc1nnc(-c2ccco2)[n-]1)Nc1ccc(I)cc1 ZINC000001064516 555617643 /nfs/dbraw/zinc/61/76/43/555617643.db2.gz OEZPDHUVOTYTFD-UHFFFAOYSA-N -1 3 426.239 3.400 50 0 IGAAHM O=C(CSc1nc(-c2ccco2)n[n-]1)Nc1ccc(I)cc1 ZINC000001064516 555617646 /nfs/dbraw/zinc/61/76/46/555617646.db2.gz OEZPDHUVOTYTFD-UHFFFAOYSA-N -1 3 426.239 3.400 50 0 IGAAHM O=C(CSc1n[n-]c(-c2ccco2)n1)Nc1ccc(I)cc1 ZINC000001064516 555617649 /nfs/dbraw/zinc/61/76/49/555617649.db2.gz OEZPDHUVOTYTFD-UHFFFAOYSA-N -1 3 426.239 3.400 50 0 IGAAHM CCc1nnc([N-]C(=O)c2ccc(Br)c(S(=O)(=O)N(CC)CC)c2)s1 ZINC000001165058 555663567 /nfs/dbraw/zinc/66/35/67/555663567.db2.gz XZDNNPJRVUSLKB-UHFFFAOYSA-N -1 3 447.380 3.146 50 0 IGAAHM Cc1ccc(CN(C)C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c(C)c1 ZINC000032739530 556300018 /nfs/dbraw/zinc/30/00/18/556300018.db2.gz RXRSZNPYCXVJBK-UHFFFAOYSA-N -1 3 433.537 3.476 50 0 IGAAHM O=c1nc(CN2CCN(Cc3cscn3)CC2)[n-]c2scc(-c3cccs3)c21 ZINC000032753295 556322092 /nfs/dbraw/zinc/32/20/92/556322092.db2.gz SPLNIUVQNVKXIF-UHFFFAOYSA-N -1 3 429.596 3.487 50 0 IGAAHM O=C(Nc1ccc2c(c1)OCO2)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000014110971 556369816 /nfs/dbraw/zinc/36/98/16/556369816.db2.gz OWCIOQFUHWNWNT-GOSISDBHSA-N -1 3 442.468 3.083 50 0 IGAAHM O=C(Nc1ccc(F)cc1F)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1 ZINC000013146305 556488354 /nfs/dbraw/zinc/48/83/54/556488354.db2.gz UZCZUTUQXRBGTL-ZDUSSCGKSA-N -1 3 430.860 3.328 50 0 IGAAHM C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011718281 556644333 /nfs/dbraw/zinc/64/43/33/556644333.db2.gz MPAOIDGZLVFLHV-LBPRGKRZSA-N -1 3 445.969 3.311 50 0 IGAAHM C[C@H](C(=O)Nc1ccc(Cl)cc1F)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011719724 556644785 /nfs/dbraw/zinc/64/47/85/556644785.db2.gz KLQBHUOLCDXTEI-GFCCVEGCSA-N -1 3 445.969 3.311 50 0 IGAAHM Cc1ccc(-n2nc(C(F)(F)F)cc2OCC(=O)N2NC=C[C@]2([O-])C(F)(F)F)cc1 ZINC000017099966 556665243 /nfs/dbraw/zinc/66/52/43/556665243.db2.gz IKRDXHAILDEJPW-HNNXBMFYSA-N -1 3 436.312 3.047 50 0 IGAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000137798018 556698365 /nfs/dbraw/zinc/69/83/65/556698365.db2.gz ZLIJLRZZUHFMRB-YTFSRNRJSA-N -1 3 446.459 3.461 50 0 IGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)NCCCn3ccnc3)cc2)cc1 ZINC000019643871 556838729 /nfs/dbraw/zinc/83/87/29/556838729.db2.gz XDCQFPCEQVLDRP-UHFFFAOYSA-N -1 3 445.570 3.069 50 0 IGAAHM O=C(COc1cc(Cl)ccc1Cl)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011228258 556876112 /nfs/dbraw/zinc/87/61/12/556876112.db2.gz FUVKPCDXRJSQKT-UHFFFAOYSA-N -1 3 449.381 3.403 50 0 IGAAHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cccc(NC(=O)C2CC2)c1 ZINC000010669110 556930096 /nfs/dbraw/zinc/93/00/96/556930096.db2.gz GNKZZTJXRFBYRB-UHFFFAOYSA-N -1 3 439.331 3.285 50 0 IGAAHM O=C(Nc1ccc(F)cc1)C1CC(=O)Nc2nc(SCCc3ccccc3)[n-]c(=O)c21 ZINC000046074330 557030271 /nfs/dbraw/zinc/03/02/71/557030271.db2.gz RQRKRCSZLXFERB-INIZCTEOSA-N -1 3 438.484 3.308 50 0 IGAAHM O=C(Nc1ccccc1F)C1CC(=O)Nc2nc(SCc3ccccc3F)[n-]c(=O)c21 ZINC000046075279 557032136 /nfs/dbraw/zinc/03/21/36/557032136.db2.gz DAORXUMIHUPZEP-LBPRGKRZSA-N -1 3 442.447 3.405 50 0 IGAAHM COc1cccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2S[C@@H](C)c2ccccc2)c1 ZINC000017242188 557043291 /nfs/dbraw/zinc/04/32/91/557043291.db2.gz PZRZJHSKZDJKHC-AWEZNQCLSA-N -1 3 435.509 3.097 50 0 IGAAHM Cc1cccc(NC(=O)C[N-]S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)c1 ZINC000033279563 557062249 /nfs/dbraw/zinc/06/22/49/557062249.db2.gz KXSNKBQICRHRSX-UHFFFAOYSA-N -1 3 432.527 3.291 50 0 IGAAHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)c1ccccc1Br ZINC000024626158 557077052 /nfs/dbraw/zinc/07/70/52/557077052.db2.gz VWANFJRHEPRNCU-RYUDHWBXSA-N -1 3 429.311 3.132 50 0 IGAAHM CCOC(=O)[C@@]([O-])(c1ccc(N(CC)C(=O)COc2ccccc2)cc1)C(F)(F)F ZINC000003158290 557168121 /nfs/dbraw/zinc/16/81/21/557168121.db2.gz KJRPJDDBJUKQSP-FQEVSTJZSA-N -1 3 425.403 3.432 50 0 IGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCc3nnc4ccccn43)c2)cc1 ZINC000018124288 557241534 /nfs/dbraw/zinc/24/15/34/557241534.db2.gz NXKLWCQKWQWNKB-UHFFFAOYSA-N -1 3 435.509 3.077 50 0 IGAAHM O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)[N-]C3CCCCC3)cc21 ZINC000040450412 557733944 /nfs/dbraw/zinc/73/39/44/557733944.db2.gz BBMKEFDBRDLPFK-UHFFFAOYSA-N -1 3 427.364 3.359 50 0 IGAAHM CCOc1ccc(NC(=O)[C@@H]([N-]S(=O)(=O)c2cccc3nsnc32)C(C)C)cc1 ZINC000019102021 568739709 /nfs/dbraw/zinc/73/97/09/568739709.db2.gz WWVSXLMGMHJFIS-KRWDZBQOSA-N -1 3 434.543 3.032 50 0 IGAAHM CC(C)(C)NC(=O)N1CCC(C[N-]S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000043955994 568744419 /nfs/dbraw/zinc/74/44/19/568744419.db2.gz FBXJJYHYSJUFTF-UHFFFAOYSA-N -1 3 438.413 3.009 50 0 IGAAHM CSc1ncccc1C(=O)N1CCC(C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000043960184 568744495 /nfs/dbraw/zinc/74/44/95/568744495.db2.gz OMFFHUSWOUJASV-UHFFFAOYSA-N -1 3 446.019 3.349 50 0 IGAAHM CCc1cc2c(CN3CCN(c4ccccc4OCCOC)CC3)cc(=O)oc2cc1[O-] ZINC000083820479 568782608 /nfs/dbraw/zinc/78/26/08/568782608.db2.gz HTWQSOBCIHDVHR-UHFFFAOYSA-N -1 3 438.524 3.408 50 0 IGAAHM CC1(C)Cc2ccccc2-c2nc(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)[n-]c(=O)c21 ZINC000085875522 568838144 /nfs/dbraw/zinc/83/81/44/568838144.db2.gz SLGXSNNENSNSAR-AEFFLSMTSA-N -1 3 428.536 3.052 50 0 IGAAHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccc(C(=O)c2cccs2)s1 ZINC000090610601 568892236 /nfs/dbraw/zinc/89/22/36/568892236.db2.gz USCCNJUBCWXCGL-UHFFFAOYSA-N -1 3 427.550 3.367 50 0 IGAAHM CCOC(=O)[C@@H]1CCCN([C@H](c2sc3nc(CC)nn3c2[O-])c2ccc(OC)cc2)C1 ZINC000016690075 568938550 /nfs/dbraw/zinc/93/85/50/568938550.db2.gz ZDKVNPOKYIWHDN-QAPCUYQASA-N -1 3 444.557 3.432 50 0 IGAAHM COc1ccc(-c2nc3c(c(=O)[n-]2)CCN(C(=O)Cc2ccc(OC)cc2Cl)C3)cc1 ZINC000065260295 569124111 /nfs/dbraw/zinc/12/41/11/569124111.db2.gz RNCPUWGGDUHNNA-UHFFFAOYSA-N -1 3 439.899 3.235 50 0 IGAAHM Cc1ccc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000065318796 569134386 /nfs/dbraw/zinc/13/43/86/569134386.db2.gz LOBKNWJTUJPKOY-UHFFFAOYSA-N -1 3 448.451 3.360 50 0 IGAAHM CCOC(=O)c1ncc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)[n-]1 ZINC000170614486 569146399 /nfs/dbraw/zinc/14/63/99/569146399.db2.gz APYZTZWUXWAACO-ZDUSSCGKSA-N -1 3 425.272 3.137 50 0 IGAAHM CCOC(=O)c1nc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)c[n-]1 ZINC000170614486 569146400 /nfs/dbraw/zinc/14/64/00/569146400.db2.gz APYZTZWUXWAACO-ZDUSSCGKSA-N -1 3 425.272 3.137 50 0 IGAAHM CCN(CC)CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(OC)ccc2OC)cc1 ZINC000014227055 569158169 /nfs/dbraw/zinc/15/81/69/569158169.db2.gz UHQNNRXOKBQBSQ-UHFFFAOYSA-N -1 3 436.530 3.003 50 0 IGAAHM Cc1ccc(C)c(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCc2ccc(F)cc2)c1 ZINC000017026686 569171123 /nfs/dbraw/zinc/17/11/23/569171123.db2.gz STDQDPACYWRELL-UHFFFAOYSA-N -1 3 437.500 3.283 50 0 IGAAHM COc1cc([C@H]2Nc3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)cc(Br)c1[O-] ZINC000027233013 569186940 /nfs/dbraw/zinc/18/69/40/569186940.db2.gz RQSBWIJLBMFYIG-INIZCTEOSA-O -1 3 448.322 3.308 50 0 IGAAHM COC(=O)C[C@H](c1cc(OC)c(OC(C)=O)c(OC)c1)c1oc2ccccc2c(=O)c1[O-] ZINC000253400874 569264980 /nfs/dbraw/zinc/26/49/80/569264980.db2.gz FEMRQYKBFMFDSV-OAHLLOKOSA-N -1 3 442.420 3.136 50 0 IGAAHM Cn1c(=O)[nH]c(=O)c2nc(C=Cc3cn(-c4ccccc4)nc3-c3ccccc3)c(=O)[n-]c21 ZINC000328598191 569318156 /nfs/dbraw/zinc/31/81/56/569318156.db2.gz KXNLVESHRKAFEJ-OUKQBFOZSA-N -1 3 438.447 3.158 50 0 IGAAHM COC(=O)C[C@@H](c1cnn2cccnc12)c1oc(CSc2ccccc2)cc(=O)c1[O-] ZINC000095479419 569373679 /nfs/dbraw/zinc/37/36/79/569373679.db2.gz VBALDIHXFOYZEA-INIZCTEOSA-N -1 3 437.477 3.375 50 0 IGAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2ccc3c(c2)OCCO3)CCO1 ZINC000096117603 569384316 /nfs/dbraw/zinc/38/43/16/569384316.db2.gz VSIWMPSZCULGCH-UGSOOPFHSA-N -1 3 431.514 3.265 50 0 IGAAHM CCn1c2ccc(-c3noc([C@H]([N-]S(=O)(=O)c4ccccc4)C(C)C)n3)cc2[nH]c1=O ZINC000096321545 569394186 /nfs/dbraw/zinc/39/41/86/569394186.db2.gz JNCLLEJQKIVJNT-GOSISDBHSA-N -1 3 441.513 3.075 50 0 IGAAHM CCOC(=O)c1sc2[n-]c(CN3CCN(c4cccc(Cl)c4)CC3)nc(=O)c2c1C ZINC000057406259 569433618 /nfs/dbraw/zinc/43/36/18/569433618.db2.gz YMSXNKANPNKHKB-UHFFFAOYSA-N -1 3 446.960 3.445 50 0 IGAAHM CCOc1ccccc1N1CCN([C@H](C(=O)[O-])c2c[nH]c3cc(NC(C)=O)ccc32)CC1 ZINC000032091503 569459617 /nfs/dbraw/zinc/45/96/17/569459617.db2.gz LQNPBGFXUWQBLE-QHCPKHFHSA-N -1 3 436.512 3.473 50 0 IGAAHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)C(=O)NCC)c2)cc1 ZINC000008720258 569471602 /nfs/dbraw/zinc/47/16/02/569471602.db2.gz LIDZSQHLYUWUNT-KRWDZBQOSA-N -1 3 445.585 3.393 50 0 IGAAHM O=C(OCc1nc2ccsc2c(=O)[n-]1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O ZINC000008824924 569477287 /nfs/dbraw/zinc/47/72/87/569477287.db2.gz KTWZMADJBDFCCM-UHFFFAOYSA-N -1 3 445.456 3.138 50 0 IGAAHM Cc1cnc(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2C)s1 ZINC000009096080 569501411 /nfs/dbraw/zinc/50/14/11/569501411.db2.gz HKUORBSWGZAUCC-UHFFFAOYSA-N -1 3 440.348 3.446 50 0 IGAAHM CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CCc1n[n-]c(=S)[nH]c1=O ZINC000009114547 569502627 /nfs/dbraw/zinc/50/26/27/569502627.db2.gz WTTSGRDDOKCYOM-UHFFFAOYSA-N -1 3 446.536 3.271 50 0 IGAAHM COc1ccc(NC(=O)[C@H](CCSC)[N-]S(=O)(=O)c2cccs2)cc1Cl ZINC000009559453 569546967 /nfs/dbraw/zinc/54/69/67/569546967.db2.gz XVKPNSPETSYDCZ-ZDUSSCGKSA-N -1 3 434.992 3.449 50 0 IGAAHM CCOc1cc([C@@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCO)ccc1O ZINC000009293097 569520159 /nfs/dbraw/zinc/52/01/59/569520159.db2.gz SXOQDWPVYVRITA-OAQYLSRUSA-N -1 3 443.887 3.386 50 0 IGAAHM C[C@@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2cc(Cl)c3c(c2)OCCCO3)C1=O ZINC000009337060 569523500 /nfs/dbraw/zinc/52/35/00/569523500.db2.gz YSLFEEUTPBFPHJ-QFIPXVFZSA-N -1 3 443.887 3.089 50 0 IGAAHM C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)[N-]c3nnc(-c4ccccn4)o3)cc2)C1 ZINC000009428029 569533501 /nfs/dbraw/zinc/53/35/01/569533501.db2.gz VYPNMNQHZBHGLR-GJZGRUSLSA-N -1 3 441.513 3.051 50 0 IGAAHM CC[C@@H](C)NC(=O)c1cnc2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2c1[O-] ZINC000009495302 569541003 /nfs/dbraw/zinc/54/10/03/569541003.db2.gz IDSBKOAUGANTRI-OAHLLOKOSA-N -1 3 427.526 3.272 50 0 IGAAHM O=S(=O)([N-]c1ccccc1Br)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009548302 569546437 /nfs/dbraw/zinc/54/64/37/569546437.db2.gz CLSPOGRZYLGSHQ-UHFFFAOYSA-N -1 3 445.360 3.034 50 0 IGAAHM O=C(Cn1[n-]c(=O)c2ccccc2c1=O)N(CCc1cccs1)Cc1cccs1 ZINC000009664373 569557439 /nfs/dbraw/zinc/55/74/39/569557439.db2.gz NQMKYJVBGUPJDP-UHFFFAOYSA-N -1 3 425.535 3.084 50 0 IGAAHM CC[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cc(C3CC3)nn2-c2ccccc2)C1=O ZINC000009762587 569566505 /nfs/dbraw/zinc/56/65/05/569566505.db2.gz ODYXPNMDUXJKNC-DEOSSOPVSA-N -1 3 429.480 3.252 50 0 IGAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009783636 569567830 /nfs/dbraw/zinc/56/78/30/569567830.db2.gz CYBADQHLDFWZOV-HNNXBMFYSA-N -1 3 434.521 3.096 50 0 IGAAHM COc1ccc(NC(=O)C[C@H](CN2CCN(Cc3cccc(Cl)c3)CC2)C(=O)[O-])cc1 ZINC000071280651 569573618 /nfs/dbraw/zinc/57/36/18/569573618.db2.gz WIASPMYCCVJOGH-GOSISDBHSA-N -1 3 445.947 3.196 50 0 IGAAHM Cc1cccc(N2CCN(C(=O)[C@H]([N-]S(=O)(=O)c3cccs3)C(C)C)CC2)c1C ZINC000004787523 132274054 /nfs/dbraw/zinc/27/40/54/132274054.db2.gz VFIZFTOAJYWGIS-HXUWFJFHSA-N -1 3 435.615 3.017 50 0 IGAAHM CCOC([O-])=NC(=O)COC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 ZINC000009603298 132323178 /nfs/dbraw/zinc/32/31/78/132323178.db2.gz KNMCAUJMCFGWJL-OXJNMPFZSA-N -1 3 444.509 3.357 50 0 IGAAHM CCOC(=O)[N-]C(=O)COC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 ZINC000009603298 132323179 /nfs/dbraw/zinc/32/31/79/132323179.db2.gz KNMCAUJMCFGWJL-OXJNMPFZSA-N -1 3 444.509 3.357 50 0 IGAAHM CC(C)c1ccc(NC(=O)CSc2nc3c(nc[n-]c3=O)n2C[C@H]2CCCO2)cc1 ZINC000020550306 519837126 /nfs/dbraw/zinc/83/71/26/519837126.db2.gz CDBKAOUWCVDLGF-MRXNPFEDSA-N -1 3 427.530 3.153 50 0 IGAAHM CCOC(=O)[C@@]([N-]S(=O)(=O)c1ccccc1)(C(F)(F)F)[P@@](C)(=O)OC(C)C ZINC000012412242 521176307 /nfs/dbraw/zinc/17/63/07/521176307.db2.gz LPBDKVRBWLPMBN-RXBISOJRSA-N -1 3 431.369 3.120 50 0 IGAAHM COc1cc([C@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OCCOc1cccc(C)c1 ZINC000020895398 522967033 /nfs/dbraw/zinc/96/70/33/522967033.db2.gz NXJTYOILPQUJRV-OAQYLSRUSA-N -1 3 443.525 3.462 50 0 IGAAHM C[C@H]1CN(C(C)(C)CNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C[C@H](C)O1 ZINC000021526795 524555611 /nfs/dbraw/zinc/55/56/11/524555611.db2.gz CWZMDSYYOWOGPT-ROUUACIJSA-N -1 3 445.585 3.105 50 0 IGAAHM COc1nn(C)cc1C(=O)[N-]c1nnc(SCC(=O)Nc2c(C)cc(C)cc2C)s1 ZINC000021011298 525089770 /nfs/dbraw/zinc/08/97/70/525089770.db2.gz DKXXBJIXWPLUKQ-UHFFFAOYSA-N -1 3 446.558 3.189 50 0 IGAAHM O=C(C(=C([O-])c1ccc(F)cc1)n1cc(Cl)ccc1=O)N(CCO)Cc1ccccc1 ZINC000012464240 526690605 /nfs/dbraw/zinc/69/06/05/526690605.db2.gz GEYZUAOCEMURNN-OAQYLSRUSA-N -1 3 442.874 3.086 50 0 IGAAHM O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)[N-]CCC2=CCCCC2)s1 ZINC000020935729 527136872 /nfs/dbraw/zinc/13/68/72/527136872.db2.gz QDPRJHOZVPTXIB-UHFFFAOYSA-N -1 3 431.539 3.108 50 0 IGAAHM O=C(Nc1ccccc1[O-])C1CCN([C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000012911612 527428274 /nfs/dbraw/zinc/42/82/74/527428274.db2.gz OVZXHIVOZFWLBH-GOSISDBHSA-N -1 3 445.878 3.167 50 0 IGAAHM Cn1ccnc1[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1)c1ccccc1 ZINC000012525741 527453037 /nfs/dbraw/zinc/45/30/37/527453037.db2.gz XYHIQWZKNQZTHN-IBGZPJMESA-N -1 3 444.944 3.034 50 0 IGAAHM O=C(CNC(=O)c1sc2ccccc2c1Cl)OCc1nc2ccsc2c(=O)[n-]1 ZINC000009466701 555575825 /nfs/dbraw/zinc/57/58/25/555575825.db2.gz WKFDKKUVHOHVGE-UHFFFAOYSA-N -1 3 433.898 3.326 50 0 IGAAHM COc1cc(COC(=O)c2sccc2S(=O)(=O)[N-]C2CC2)ccc1OC(F)F ZINC000010566754 556069768 /nfs/dbraw/zinc/06/97/68/556069768.db2.gz AYIXDFKIOBBCAS-UHFFFAOYSA-N -1 3 433.454 3.156 50 0 IGAAHM CCN(CC)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccccc3OC)o2)cc1 ZINC000002723453 556128827 /nfs/dbraw/zinc/12/88/27/556128827.db2.gz CYCPIHFZAYAISW-UHFFFAOYSA-N -1 3 430.486 3.028 50 0 IGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1ccccc1N(Cc1ccccc1Cl)C2=O ZINC000008843677 556226451 /nfs/dbraw/zinc/22/64/51/556226451.db2.gz QGEBJVOXYOPVIR-HXUWFJFHSA-N -1 3 428.901 3.042 50 0 IGAAHM CCNC(=O)c1cccc(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC000032745185 556314817 /nfs/dbraw/zinc/31/48/17/556314817.db2.gz LLVGRSOPZFIBGY-UHFFFAOYSA-N -1 3 448.508 3.002 50 0 IGAAHM C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)NCc1ccccc1F ZINC000014018084 556355964 /nfs/dbraw/zinc/35/59/64/556355964.db2.gz BTDXMXKPPRORNL-SNVBAGLBSA-N -1 3 438.830 3.481 50 0 IGAAHM CS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2nc(-c3cc(F)ccc3F)cs2)n1 ZINC000014170158 556381294 /nfs/dbraw/zinc/38/12/94/556381294.db2.gz NNWYIYZIFBSDRP-UHFFFAOYSA-N -1 3 430.845 3.188 50 0 IGAAHM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)[C@H]1COc2ccccc2O1 ZINC000032678540 556416012 /nfs/dbraw/zinc/41/60/12/556416012.db2.gz KWKQOJAWNVUEPO-HXUWFJFHSA-N -1 3 428.441 3.405 50 0 IGAAHM CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1SC[C@]1(C)NC(=O)[N-]C1=O ZINC000012991278 556428725 /nfs/dbraw/zinc/42/87/25/556428725.db2.gz WILWHFCHXGAUEE-NRFANRHFSA-N -1 3 440.550 3.259 50 0 IGAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC[C@H]4CCCO4)CC3)cc2)cc1 ZINC000033115314 556555012 /nfs/dbraw/zinc/55/50/12/556555012.db2.gz DDJFXTSDLKXLMK-HXUWFJFHSA-N -1 3 444.553 3.213 50 0 IGAAHM O=C(CSc1nnc2[n-]c(=O)c(Cc3ccccc3)nn21)Nc1ccccc1Cl ZINC000015882046 556560889 /nfs/dbraw/zinc/56/08/89/556560889.db2.gz ZEYDHPSUXSBINF-UHFFFAOYSA-N -1 3 426.889 3.200 50 0 IGAAHM O=C(c1cccc([O-])c1)N1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000072308317 556565850 /nfs/dbraw/zinc/56/58/50/556565850.db2.gz IHSHPPOUZAHCAZ-UHFFFAOYSA-N -1 3 432.402 3.419 50 0 IGAAHM CC[C@H](C)NC(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000033033983 556715545 /nfs/dbraw/zinc/71/55/45/556715545.db2.gz KTPIWGDILZDSEM-SFHVURJKSA-N -1 3 444.601 3.042 50 0 IGAAHM Cc1nn(C)c2ncc(NC(=O)c3c[n-]c4c(C)cc(Br)cc4c3=O)cc12 ZINC000058173720 556768899 /nfs/dbraw/zinc/76/88/99/556768899.db2.gz FGPBNYMMFPLFSV-UHFFFAOYSA-N -1 3 426.274 3.441 50 0 IGAAHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3CC(=O)N2CCCC2)cc1 ZINC000033129707 556869028 /nfs/dbraw/zinc/86/90/28/556869028.db2.gz WGBRDHVJKDWGGE-UHFFFAOYSA-N -1 3 443.569 3.216 50 0 IGAAHM O=C(Nc1ccccc1F)C1CC(=O)Nc2nc(SCCc3ccccc3)[n-]c(=O)c21 ZINC000046074321 557030262 /nfs/dbraw/zinc/03/02/62/557030262.db2.gz LSNSQPAKSSTICV-CQSZACIVSA-N -1 3 438.484 3.308 50 0 IGAAHM O=C(Nc1cccc(F)c1)C1CC(=O)Nc2nc(SCCc3ccccc3)[n-]c(=O)c21 ZINC000046074327 557030283 /nfs/dbraw/zinc/03/02/83/557030283.db2.gz LLGKJTBRHBKUJK-MRXNPFEDSA-N -1 3 438.484 3.308 50 0 IGAAHM O=C(Nc1ccc(F)cc1)C1CC(=O)Nc2nc(SCc3ccc(F)cc3)[n-]c(=O)c21 ZINC000046075387 557032130 /nfs/dbraw/zinc/03/21/30/557032130.db2.gz HHNOJNWJPSMMAX-OAHLLOKOSA-N -1 3 442.447 3.405 50 0 IGAAHM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)[N-]c3nnc(-c4cccnc4)o3)cc2)C1 ZINC000017244979 557044066 /nfs/dbraw/zinc/04/40/66/557044066.db2.gz IQUIZPRHYKUHEN-GASCZTMLSA-N -1 3 441.513 3.051 50 0 IGAAHM Cc1noc(C)c1S(=O)(=O)[N-]CCC(=O)NCCc1c(C)cc(C(C)(C)C)cc1C ZINC000023646483 557102459 /nfs/dbraw/zinc/10/24/59/557102459.db2.gz OUBWIFIFIYZVCZ-UHFFFAOYSA-N -1 3 435.590 3.233 50 0 IGAAHM CCN1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2)CC1 ZINC000000631062 557123219 /nfs/dbraw/zinc/12/32/19/557123219.db2.gz HLTRPRRXYWMHKC-UHFFFAOYSA-N -1 3 429.586 3.499 50 0 IGAAHM CSCC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)NC1CC1 ZINC000023983328 557129624 /nfs/dbraw/zinc/12/96/24/557129624.db2.gz SLAFCPWPWGGBII-LBPRGKRZSA-N -1 3 430.901 3.037 50 0 IGAAHM Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000024886305 557176854 /nfs/dbraw/zinc/17/68/54/557176854.db2.gz GHAXPUWCVSXMDO-UHFFFAOYSA-N -1 3 429.498 3.423 50 0 IGAAHM COC(=O)C[C@H]([N-]S(=O)(=O)Cc1ccc(Br)cc1F)c1cccs1 ZINC000072232404 557194494 /nfs/dbraw/zinc/19/44/94/557194494.db2.gz BNLPCVNPSZHJCE-ZDUSSCGKSA-N -1 3 436.324 3.374 50 0 IGAAHM COc1ccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2C)cc1 ZINC000101628921 557291666 /nfs/dbraw/zinc/29/16/66/557291666.db2.gz PUKSCKWMYHNQMF-BGYRXZFFSA-N -1 3 442.537 3.480 50 0 IGAAHM O=C(C[N-]S(=O)(=O)c1cc(-c2noc(C3CCC3)n2)cs1)Nc1ccc(F)cc1 ZINC000033279543 557331346 /nfs/dbraw/zinc/33/13/46/557331346.db2.gz LASODBZSWJBVPF-UHFFFAOYSA-N -1 3 436.490 3.122 50 0 IGAAHM C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[N-]c3nnc(Cc4cccs4)o3)cc2)C1 ZINC000011694649 557392668 /nfs/dbraw/zinc/39/26/68/557392668.db2.gz LOIHMLGMCZAYLQ-CQSZACIVSA-N -1 3 446.554 3.395 50 0 IGAAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)c(OC)c2)cc1 ZINC000229983994 557834727 /nfs/dbraw/zinc/83/47/27/557834727.db2.gz UVOPOOFLTDESHU-YTFSRNRJSA-N -1 3 446.459 3.461 50 0 IGAAHM CC1CCN(S(=O)(=O)c2ccc(C(=O)[N-]c3nnc(-c4cccs4)o3)cc2)CC1 ZINC000002456900 562927864 /nfs/dbraw/zinc/92/78/64/562927864.db2.gz SEMIPRBGMNHAMV-UHFFFAOYSA-N -1 3 432.527 3.471 50 0 IGAAHM COc1cc(Cl)c(NC(=O)[C@H]([N-]S(=O)(=O)c2cccs2)C(C)C)c(OC)c1 ZINC000008609124 562957634 /nfs/dbraw/zinc/95/76/34/562957634.db2.gz KIZUHZOIQJDITQ-OAHLLOKOSA-N -1 3 432.951 3.360 50 0 IGAAHM CN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3cccs3)o2)cc1 ZINC000010220713 562978570 /nfs/dbraw/zinc/97/85/70/562978570.db2.gz JAIPBHNTHGMQDK-UHFFFAOYSA-N -1 3 444.494 3.464 50 0 IGAAHM C[C@@H](C[N-]S(=O)(=O)c1ccc(CN2C(=O)c3cccnc3C2=O)s1)c1ccccc1 ZINC000015720767 568811637 /nfs/dbraw/zinc/81/16/37/568811637.db2.gz FSAKBIFFVBOKEW-AWEZNQCLSA-N -1 3 441.534 3.021 50 0 IGAAHM CCCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(OCC)cc3)cc21 ZINC000015781401 568825819 /nfs/dbraw/zinc/82/58/19/568825819.db2.gz UQUDDKQSWFIAPM-UHFFFAOYSA-N -1 3 438.571 3.379 50 0 IGAAHM CC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000015865777 568850530 /nfs/dbraw/zinc/85/05/30/568850530.db2.gz OLSBQKVGMFNRJM-IBGZPJMESA-N -1 3 428.535 3.479 50 0 IGAAHM Cc1ccccc1N(C)S(=O)(=O)c1ccc2ncc(C(=O)NCCC(C)C)c([O-])c2c1 ZINC000006181374 568867986 /nfs/dbraw/zinc/86/79/86/568867986.db2.gz GBRTYORXUGAGFJ-UHFFFAOYSA-N -1 3 441.553 3.438 50 0 IGAAHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Oc2cccc3c2OC(C)(C)C3)c(C)c1 ZINC000064241226 568894092 /nfs/dbraw/zinc/89/40/92/568894092.db2.gz OMAPNSQCNDIXLC-UHFFFAOYSA-N -1 3 425.528 3.238 50 0 IGAAHM CN1CCN2c3cccc(Cl)c3C[C@]3(C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)[C@H]2C1 ZINC000245328677 568915029 /nfs/dbraw/zinc/91/50/29/568915029.db2.gz WHHQPCWENOZRQK-XMSQKQJNSA-N -1 3 442.878 3.265 50 0 IGAAHM CCN1CCN(c2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2C(=O)[O-])CC1 ZINC000064580598 568934454 /nfs/dbraw/zinc/93/44/54/568934454.db2.gz CUMZRKDIQXEIBD-UHFFFAOYSA-N -1 3 431.558 3.253 50 0 IGAAHM COc1ccc(NC(=O)c2nnc(C[N-]S(=O)(=O)c3c(C)cc(C)cc3C)s2)cc1 ZINC000064991611 569084711 /nfs/dbraw/zinc/08/47/11/569084711.db2.gz RCGIDPRZYYIHPC-UHFFFAOYSA-N -1 3 446.554 3.203 50 0 IGAAHM Cn1nccc1-c1cccc(-c2noc(C[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c1 ZINC000065137187 569110395 /nfs/dbraw/zinc/11/03/95/569110395.db2.gz KTUSUYHNUAJPGE-UHFFFAOYSA-N -1 3 429.889 3.269 50 0 IGAAHM Cc1ccc(C)c(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCc2ccccc2C)c1 ZINC000017026692 569171095 /nfs/dbraw/zinc/17/10/95/569171095.db2.gz URWLEHJSKDDYNO-UHFFFAOYSA-N -1 3 433.537 3.452 50 0 IGAAHM O=S(=O)(Cc1ccccc1)[N-]c1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000017097054 569173142 /nfs/dbraw/zinc/17/31/42/569173142.db2.gz BNOPNEBPTTUQJC-UHFFFAOYSA-N -1 3 430.551 3.150 50 0 IGAAHM O=[N+]([O-])c1ccc([N-]c2nc(N=NCc3ccc4c(c3)OCO4)nc(N3CCCC3)n2)cc1 ZINC000020071877 569333720 /nfs/dbraw/zinc/33/37/20/569333720.db2.gz VZZBCBHJJOIDRQ-UHFFFAOYSA-N -1 3 448.443 3.298 50 0 IGAAHM C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000020235651 569357271 /nfs/dbraw/zinc/35/72/71/569357271.db2.gz ANVOZVAEHONJAH-ALKREAHSSA-N -1 3 444.582 3.406 50 0 IGAAHM C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000020235659 569357288 /nfs/dbraw/zinc/35/72/88/569357288.db2.gz ANVOZVAEHONJAH-OGWOLHLISA-N -1 3 444.582 3.406 50 0 IGAAHM O=C(CCS(=O)(=O)[N-]c1cccc(Cl)c1N1CCOCC1)OCc1ccccc1 ZINC000095454523 569368367 /nfs/dbraw/zinc/36/83/67/569368367.db2.gz QHPRWOCHUBZTOW-UHFFFAOYSA-N -1 3 438.933 3.052 50 0 IGAAHM COc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(C)cc3)n2)cc(OC)c1OC ZINC000096277907 569388859 /nfs/dbraw/zinc/38/88/59/569388859.db2.gz JUKWFGBCXVIPIK-CYBMUJFWSA-N -1 3 433.486 3.110 50 0 IGAAHM COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccccc3C(=O)[O-])[C@@H]2C1=O ZINC000230041208 569418809 /nfs/dbraw/zinc/41/88/09/569418809.db2.gz PFENJNKAHWXPSP-BHDDXSALSA-N -1 3 444.443 3.445 50 0 IGAAHM O=C(CSc1nc2nc(-c3cccs3)cc(C(F)(F)F)c2c(=O)[n-]1)NC1CC1 ZINC000003248111 569442794 /nfs/dbraw/zinc/44/27/94/569442794.db2.gz FYTWRRFSBGHHKU-UHFFFAOYSA-N -1 3 426.445 3.436 50 0 IGAAHM CCOC(=O)c1sc2[n-]c(CSc3nncn3-c3ccccc3)nc(=O)c2c1C ZINC000003358914 569447764 /nfs/dbraw/zinc/44/77/64/569447764.db2.gz XMKGAECVNKXIKH-UHFFFAOYSA-N -1 3 427.511 3.343 50 0 IGAAHM COC(=O)c1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c2)cc1 ZINC000003477419 569452213 /nfs/dbraw/zinc/45/22/13/569452213.db2.gz VRYDQAMGULHFFN-UHFFFAOYSA-N -1 3 438.933 3.133 50 0 IGAAHM CCSc1nnc([N-]C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)s1 ZINC000003517115 569453111 /nfs/dbraw/zinc/45/31/11/569453111.db2.gz GXPAQYPTKCVSPD-UHFFFAOYSA-N -1 3 432.980 3.340 50 0 IGAAHM Cc1cc(N2CCN([C@H](C(=O)[O-])c3c[nH]c4ccc(CO)cc43)CC2)nc2ccccc12 ZINC000031807250 569457478 /nfs/dbraw/zinc/45/74/78/569457478.db2.gz OYWHYVUYASZNSY-DEOSSOPVSA-N -1 3 430.508 3.465 50 0 IGAAHM C[C@@]1(c2cccc(NC(=O)CSCc3nc4ccccc4s3)c2)NC(=O)[N-]C1=O ZINC000040117801 569489303 /nfs/dbraw/zinc/48/93/03/569489303.db2.gz OGCFJTJUODHNKX-FQEVSTJZSA-N -1 3 426.523 3.223 50 0 IGAAHM Cc1cccc(CS(=O)(=O)[N-]C[C@@H](c2cccnc2)S(=O)(=O)c2ccccc2)c1 ZINC000009005319 569496093 /nfs/dbraw/zinc/49/60/93/569496093.db2.gz JWUDDLMINQYTIC-NRFANRHFSA-N -1 3 430.551 3.025 50 0 IGAAHM COc1ccc(N2C[C@H](C[N-]S(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1 ZINC000009035820 569497312 /nfs/dbraw/zinc/49/73/12/569497312.db2.gz VKUSWOINPUVFGA-ZDUSSCGKSA-N -1 3 428.432 3.045 50 0 IGAAHM CCN1c2cc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)ccc2OCC(C)(C)C1=O ZINC000009170573 569509316 /nfs/dbraw/zinc/50/93/16/569509316.db2.gz SHLYYFILXLLWEH-UHFFFAOYSA-N -1 3 432.498 3.030 50 0 IGAAHM C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000009218237 569512406 /nfs/dbraw/zinc/51/24/06/569512406.db2.gz AJGJJEIYERHNMD-CYBMUJFWSA-N -1 3 443.554 3.410 50 0 IGAAHM C[C@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2cc(Cl)c3c(c2)OCCCO3)C1=O ZINC000009337061 569523516 /nfs/dbraw/zinc/52/35/16/569523516.db2.gz YSLFEEUTPBFPHJ-JOCHJYFZSA-N -1 3 443.887 3.089 50 0 IGAAHM CC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000009347642 569524305 /nfs/dbraw/zinc/52/43/05/569524305.db2.gz CWNCITDUXXKSFA-DOTOQJQBSA-N -1 3 446.688 3.426 50 0 IGAAHM O=C1N[C@@]2(CCCc3sccc32)C(=O)N1Cc1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000009494930 569540925 /nfs/dbraw/zinc/54/09/25/569540925.db2.gz SSECFGHAWPNOQO-OAQYLSRUSA-N -1 3 440.550 3.209 50 0 IGAAHM COc1ccc(-n2ncc3c2nc(SCC(=O)NCc2ccc(C)cc2)[n-]c3=O)cc1 ZINC000009521964 569544388 /nfs/dbraw/zinc/54/43/88/569544388.db2.gz NBKSXDRNSICQRQ-UHFFFAOYSA-N -1 3 435.509 3.247 50 0 IGAAHM O=C(CSc1nnc([N-]C(=O)c2cccs2)s1)Nc1ccc2c(c1)OCCO2 ZINC000009600101 569551421 /nfs/dbraw/zinc/55/14/21/569551421.db2.gz VKYIRWCXMYAXGP-UHFFFAOYSA-N -1 3 434.524 3.354 50 0 IGAAHM Cc1ccccc1-c1nc2cc(=O)[n-]n2c(SCC(=O)NCc2ccc(Cl)cc2)n1 ZINC000009641593 569555703 /nfs/dbraw/zinc/55/57/03/569555703.db2.gz LIXRNAHGNDCDAL-UHFFFAOYSA-N -1 3 439.928 3.455 50 0 IGAAHM CS(=O)(=O)c1ccccc1-c1nnc([N-]C(=O)c2ccc(Br)s2)o1 ZINC000009707605 569561598 /nfs/dbraw/zinc/56/15/98/569561598.db2.gz JQLFWLOMSYUQEB-UHFFFAOYSA-N -1 3 428.289 3.216 50 0 IGAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000009713081 569562467 /nfs/dbraw/zinc/56/24/67/569562467.db2.gz RZZXZSMQMMWDAU-SFHVURJKSA-N -1 3 434.521 3.443 50 0 IGAAHM Cc1ccc(Cc2c(C)nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)[n-]c2=O)cc1 ZINC000009355682 132314219 /nfs/dbraw/zinc/31/42/19/132314219.db2.gz DSTOQFANLAHEEL-UHFFFAOYSA-N -1 3 432.524 3.028 50 0 IGAAHM CN1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)[C@@H]2C1 ZINC000016971186 132357156 /nfs/dbraw/zinc/35/71/56/132357156.db2.gz WHHQPCWENOZRQK-AVRDEDQJSA-N -1 3 442.878 3.265 50 0 IGAAHM CC(C)Cc1nn2c(nc(CSc3nnc([N-]C(=O)c4ccco4)s3)cc2=O)s1 ZINC000020983734 519465562 /nfs/dbraw/zinc/46/55/62/519465562.db2.gz IIROBHLMOXQOLI-UHFFFAOYSA-N -1 3 448.555 3.339 50 0 IGAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC3CCN(CC)CC3)cc2)cc1 ZINC000012552547 521130497 /nfs/dbraw/zinc/13/04/97/521130497.db2.gz QQSODNPUHDJJQK-UHFFFAOYSA-N -1 3 431.558 3.100 50 0 IGAAHM CCOC(=O)[C@H]1CCCN([C@H](c2sc3nc(CC)nn3c2[O-])c2ccc(OC)cc2)C1 ZINC000022853428 521299872 /nfs/dbraw/zinc/29/98/72/521299872.db2.gz ZDKVNPOKYIWHDN-YJBOKZPZSA-N -1 3 444.557 3.432 50 0 IGAAHM CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc3c2C(=O)[N-]C3=O)cc1 ZINC000012378210 521497827 /nfs/dbraw/zinc/49/78/27/521497827.db2.gz NBLOMXCQXRTBBG-UHFFFAOYSA-N -1 3 449.488 3.038 50 0 IGAAHM CCCc1nn2c(nc(CSc3nnc([N-]C(=O)c4ccco4)s3)cc2=O)s1 ZINC000020984568 521558482 /nfs/dbraw/zinc/55/84/82/521558482.db2.gz BQWYWBIKJNZWOY-UHFFFAOYSA-N -1 3 434.528 3.093 50 0 IGAAHM CCCn1c(=O)[n-]nc1SCC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccco1 ZINC000022124005 521614219 /nfs/dbraw/zinc/61/42/19/521614219.db2.gz NJIVRYUJKRTGDJ-QGZVFWFLSA-N -1 3 441.513 3.053 50 0 IGAAHM COc1cc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)ccc1OCc1ccccc1 ZINC000036772029 522169331 /nfs/dbraw/zinc/16/93/31/522169331.db2.gz JNAMXDOBTGBVEO-UHFFFAOYSA-N -1 3 425.462 3.449 50 0 IGAAHM CN1CCN(c2ccc(Br)cc2[N-]S(=O)(=O)c2cc(F)cc(F)c2)CC1 ZINC000012584801 523923868 /nfs/dbraw/zinc/92/38/68/523923868.db2.gz NTEDFYXOVLKJTD-UHFFFAOYSA-N -1 3 446.317 3.280 50 0 IGAAHM Cc1cccc(C(=O)N2CCC(c3nc4c(nnn4Cc4ccccc4F)c(=O)[n-]3)CC2)c1 ZINC000020442894 524169039 /nfs/dbraw/zinc/16/90/39/524169039.db2.gz CKPLUQYYDWZBFA-UHFFFAOYSA-N -1 3 446.486 3.030 50 0 IGAAHM COc1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)cc1OC ZINC000021651446 524609605 /nfs/dbraw/zinc/60/96/05/524609605.db2.gz VXIYUCSEEXMECL-KRWDZBQOSA-N -1 3 446.550 3.294 50 0 IGAAHM COc1ccc(OC)c(C[N-]S(=O)(=O)c2cc(C(=O)N3CCCCCC3)cs2)c1 ZINC000035405514 524836959 /nfs/dbraw/zinc/83/69/59/524836959.db2.gz YECMXXSCTSEHEV-UHFFFAOYSA-N -1 3 438.571 3.260 50 0 IGAAHM COc1ccc(OCCOc2ccc([C@@H]3SC([N-]C(C)=O)=NN3C(C)=O)cc2)cc1 ZINC000020895581 524963134 /nfs/dbraw/zinc/96/31/34/524963134.db2.gz JVPHUVMEMUILAV-FQEVSTJZSA-N -1 3 429.498 3.154 50 0 IGAAHM COc1ccc(OCCOc2cccc([C@H]3SC([N-]C(C)=O)=NN3C(C)=O)c2)cc1 ZINC000020896532 524964627 /nfs/dbraw/zinc/96/46/27/524964627.db2.gz MYXMJYISQCKOTD-HXUWFJFHSA-N -1 3 429.498 3.154 50 0 IGAAHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccco2)N(C)C)cc1 ZINC000012605028 525272452 /nfs/dbraw/zinc/27/24/52/525272452.db2.gz HYNNBJYBGXKKIG-FQEVSTJZSA-N -1 3 427.526 3.422 50 0 IGAAHM C[C@H](Sc1nc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C1CC1)C(=O)NCC1CCCCC1 ZINC000012924568 526001535 /nfs/dbraw/zinc/00/15/35/526001535.db2.gz XNAGRWJWPXRLED-LBPRGKRZSA-N -1 3 443.573 3.282 50 0 IGAAHM O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ncccc1[O-] ZINC000022263251 526699822 /nfs/dbraw/zinc/69/98/22/526699822.db2.gz PQVKTMSVZXWYLY-UHFFFAOYSA-N 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O=C(Nc1ccccc1[O-])[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000014337696 556413547 /nfs/dbraw/zinc/41/35/47/556413547.db2.gz XOTNKWSGWKPHDL-CYBMUJFWSA-N -1 3 439.331 3.194 50 0 IGAAHM O=C(NCc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000012977365 556422541 /nfs/dbraw/zinc/42/25/41/556422541.db2.gz JBTFHWYAGGWLIK-UHFFFAOYSA-N -1 3 442.468 3.328 50 0 IGAAHM CC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@H]1c1cn(-c2ccccc2)nc1C ZINC000011027276 556444336 /nfs/dbraw/zinc/44/43/36/556444336.db2.gz KQNCLIDYFPNJGF-QFIPXVFZSA-N -1 3 437.525 3.250 50 0 IGAAHM COCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)cc2)CC1 ZINC000033274625 556558778 /nfs/dbraw/zinc/55/87/78/556558778.db2.gz XHKMLENISPBIKF-UHFFFAOYSA-N -1 3 430.570 3.480 50 0 IGAAHM O=S(=O)(Cc1ccccc1)[N-]c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000016400579 556605467 /nfs/dbraw/zinc/60/54/67/556605467.db2.gz VGKVHNWOWWOVIK-UHFFFAOYSA-N -1 3 428.535 3.380 50 0 IGAAHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCN(c4ccccc4)CC3)nc(=O)c2c1C ZINC000016699333 556629174 /nfs/dbraw/zinc/62/91/74/556629174.db2.gz FBFYUXRPLAELCK-OAHLLOKOSA-N -1 3 426.542 3.353 50 0 IGAAHM Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011719634 556644802 /nfs/dbraw/zinc/64/48/02/556644802.db2.gz LJDFXOLWKLNPSV-CQSZACIVSA-N -1 3 442.006 3.480 50 0 IGAAHM CCCCN(C)C(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000033033175 556713911 /nfs/dbraw/zinc/71/39/11/556713911.db2.gz ZFDCLNFKTOZCPR-UHFFFAOYSA-N -1 3 444.601 3.078 50 0 IGAAHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OC[C@H]2COc3ccccc3O2)ccc1Cl ZINC000019316626 556735876 /nfs/dbraw/zinc/73/58/76/556735876.db2.gz GFLWHWQZVMJJLK-CQSZACIVSA-N -1 3 439.917 3.414 50 0 IGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCn1c(-c2ccncc2)nc2cccnc21 ZINC000033252130 556892464 /nfs/dbraw/zinc/89/24/64/556892464.db2.gz YMZATBGQJJRNGW-UHFFFAOYSA-N -1 3 443.916 3.134 50 0 IGAAHM CCOC(=O)C1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2cccc(OC)c2)CC1 ZINC000023157841 557030908 /nfs/dbraw/zinc/03/09/08/557030908.db2.gz IHMRAHUYBJDWCL-QGZVFWFLSA-N -1 3 430.530 3.178 50 0 IGAAHM O=C(Nc1ccc(F)cc1)C1CC(=O)Nc2nc(SCc3ccccc3F)[n-]c(=O)c21 ZINC000046075285 557032084 /nfs/dbraw/zinc/03/20/84/557032084.db2.gz FEBHHZTZLGDPTR-AWEZNQCLSA-N -1 3 442.447 3.405 50 0 IGAAHM CCCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(F)cc3C)ccc21 ZINC000017287014 557045291 /nfs/dbraw/zinc/04/52/91/557045291.db2.gz LCMSPEDEVBAOSE-UHFFFAOYSA-N -1 3 426.535 3.427 50 0 IGAAHM COc1cc(OC)c(C2=CCN(C(=O)c3ccc([N-]S(C)(=O)=O)cc3)CC2)c(OC)c1 ZINC000010896986 557076378 /nfs/dbraw/zinc/07/63/78/557076378.db2.gz MFOVONUHNLWWMA-UHFFFAOYSA-N -1 3 446.525 3.013 50 0 IGAAHM CCc1cc2c(CN3CCN(CCOc4ccc(OC)cc4)CC3)cc(=O)oc2cc1[O-] ZINC000023333494 557084395 /nfs/dbraw/zinc/08/43/95/557084395.db2.gz WYPRPDQNEJCKJX-UHFFFAOYSA-N -1 3 438.524 3.266 50 0 IGAAHM CCOC([O-])=NC(=O)CSc1nnc([C@@H]2COc3ccccc3O2)n1-c1ccccc1 ZINC000011348658 557103553 /nfs/dbraw/zinc/10/35/53/557103553.db2.gz XNWWIAICXOEDAU-KRWDZBQOSA-N -1 3 440.481 3.145 50 0 IGAAHM CCOC(=O)[N-]C(=O)CSc1nnc([C@@H]2COc3ccccc3O2)n1-c1ccccc1 ZINC000011348658 557103556 /nfs/dbraw/zinc/10/35/56/557103556.db2.gz XNWWIAICXOEDAU-KRWDZBQOSA-N -1 3 440.481 3.145 50 0 IGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000206791597 557163776 /nfs/dbraw/zinc/16/37/76/557163776.db2.gz HXXPYWFEAJLJLS-ZDUSSCGKSA-N -1 3 435.855 3.320 50 0 IGAAHM CCCCc1noc([C@@H](C)Sc2nc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C2CC2)n1 ZINC000024834534 557171619 /nfs/dbraw/zinc/17/16/19/557171619.db2.gz UUZDRXBHTUGJKI-SNVBAGLBSA-N -1 3 428.518 3.271 50 0 IGAAHM CCCN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000024837027 557172323 /nfs/dbraw/zinc/17/23/23/557172323.db2.gz XRQGNSKFHCVQMZ-QGZVFWFLSA-N -1 3 440.525 3.155 50 0 IGAAHM CCCN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)CCc1nnc(-c2ccsc2)o1 ZINC000024969136 557183400 /nfs/dbraw/zinc/18/34/00/557183400.db2.gz OGBKGZHWVFZYHC-UHFFFAOYSA-N -1 3 429.527 3.468 50 0 IGAAHM O=C([O-])c1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 ZINC000100970027 557208994 /nfs/dbraw/zinc/20/89/94/557208994.db2.gz JCOYCMOSSRINSX-QHAWAJNXSA-N -1 3 430.416 3.142 50 0 IGAAHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(OC)nc3)ccc2C)cc1 ZINC000010989994 557211784 /nfs/dbraw/zinc/21/17/84/557211784.db2.gz SMGRDOWIRZSTIB-UHFFFAOYSA-N -1 3 441.509 3.138 50 0 IGAAHM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000072297316 557219637 /nfs/dbraw/zinc/21/96/37/557219637.db2.gz IUJWLQALKLCNTD-CQSZACIVSA-N -1 3 444.532 3.338 50 0 IGAAHM Cn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1cc(Br)ccc1[O-] ZINC000018243713 557253406 /nfs/dbraw/zinc/25/34/06/557253406.db2.gz DRTISMWNDKGLBY-UHFFFAOYSA-N -1 3 444.314 3.479 50 0 IGAAHM CC(C)(C)c1csc(-c2csc(S(=O)(=O)[N-]CCCN3CCCC3=O)c2)n1 ZINC000033297789 557330654 /nfs/dbraw/zinc/33/06/54/557330654.db2.gz ZDSQLCOVCAKIFT-UHFFFAOYSA-N -1 3 427.617 3.460 50 0 IGAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)c(OC)c1 ZINC000102706346 557366388 /nfs/dbraw/zinc/36/63/88/557366388.db2.gz WVDKNKYAZHNKRD-DNVJHFABSA-N -1 3 446.459 3.461 50 0 IGAAHM COc1ccc([C@@H](C)NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccccc2)cc1 ZINC000051316734 557465034 /nfs/dbraw/zinc/46/50/34/557465034.db2.gz VASWJTCIQXGNOP-CQSZACIVSA-N -1 3 435.509 3.087 50 0 IGAAHM COc1ccc([C@@H](C)NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccccc2)cc1 ZINC000051316734 557465037 /nfs/dbraw/zinc/46/50/37/557465037.db2.gz VASWJTCIQXGNOP-CQSZACIVSA-N -1 3 435.509 3.087 50 0 IGAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1)NCc1ccccc1Cl ZINC000051316740 557465092 /nfs/dbraw/zinc/46/50/92/557465092.db2.gz QAODRUPTQLNNJU-UHFFFAOYSA-N -1 3 425.901 3.171 50 0 IGAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1)NCc1ccccc1Cl ZINC000051316740 557465096 /nfs/dbraw/zinc/46/50/96/557465096.db2.gz QAODRUPTQLNNJU-UHFFFAOYSA-N -1 3 425.901 3.171 50 0 IGAAHM COc1cccc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccc(F)c(F)c2)c1 ZINC000051316771 557465474 /nfs/dbraw/zinc/46/54/74/557465474.db2.gz OWPWQMMFJKSJNC-UHFFFAOYSA-N -1 3 443.435 3.126 50 0 IGAAHM COc1cccc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccc(F)c(F)c2)c1 ZINC000051316771 557465475 /nfs/dbraw/zinc/46/54/75/557465475.db2.gz OWPWQMMFJKSJNC-UHFFFAOYSA-N -1 3 443.435 3.126 50 0 IGAAHM COc1ccc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccc(F)c(F)c2)cc1 ZINC000051316773 557465736 /nfs/dbraw/zinc/46/57/36/557465736.db2.gz GHFAMSPJJRSHQY-UHFFFAOYSA-N -1 3 443.435 3.126 50 0 IGAAHM COc1ccc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccc(F)c(F)c2)cc1 ZINC000051316773 557465737 /nfs/dbraw/zinc/46/57/37/557465737.db2.gz GHFAMSPJJRSHQY-UHFFFAOYSA-N -1 3 443.435 3.126 50 0 IGAAHM CCOC(=O)c1[n-]c(COC(=O)CCOc2ccccc2OC)c(C(=O)OCC)c1C ZINC000008672669 562961078 /nfs/dbraw/zinc/96/10/78/562961078.db2.gz MJMJZWPFBVYPGA-UHFFFAOYSA-N -1 3 433.457 3.197 50 0 IGAAHM COc1ccc([C@H]2C(C(C)=O)=C([O-])C(=O)N2c2ccc(Br)cn2)cc1OC ZINC000001413153 568789938 /nfs/dbraw/zinc/78/99/38/568789938.db2.gz ZQFPMPUBQKZWPL-KRWDZBQOSA-N -1 3 433.258 3.350 50 0 IGAAHM COc1ccc([C@H]2C(=C(C)[O-])C(=O)C(=O)N2c2ccc(Br)cn2)cc1OC ZINC000001413153 568789940 /nfs/dbraw/zinc/78/99/40/568789940.db2.gz ZQFPMPUBQKZWPL-KRWDZBQOSA-N -1 3 433.258 3.350 50 0 IGAAHM COc1ccccc1-c1nc2cc(=O)[n-]n2c(SCC(=O)N2c3ccccc3C[C@H]2C)n1 ZINC000015732569 568815289 /nfs/dbraw/zinc/81/52/89/568815289.db2.gz WMRVGQPDQMYFAC-CQSZACIVSA-N -1 3 447.520 3.163 50 0 IGAAHM O=c1cccc2n1C[C@@H]1C[C@H]2CN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)C1 ZINC000085877179 568838591 /nfs/dbraw/zinc/83/85/91/568838591.db2.gz OEAJDEQUUFMIJT-WBVHZDCISA-N -1 3 430.533 3.433 50 0 IGAAHM COc1ccc(-c2nc3sc(CC[N-]S(=O)(=O)c4ccccc4F)c(C)n3n2)cc1 ZINC000015823566 568840282 /nfs/dbraw/zinc/84/02/82/568840282.db2.gz IGACUPDLJLAZRI-UHFFFAOYSA-N -1 3 446.529 3.435 50 0 IGAAHM CCCNC(=O)c1cnc2ccc(S(=O)(=O)N(C)c3ccc(C)c(C)c3)cc2c1[O-] ZINC000006181262 568868213 /nfs/dbraw/zinc/86/82/13/568868213.db2.gz OEHCUQJUMKZLPL-UHFFFAOYSA-N -1 3 427.526 3.110 50 0 IGAAHM C[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012987135 568895042 /nfs/dbraw/zinc/89/50/42/568895042.db2.gz NKMSWJHUPGRKND-XUXNNNHQSA-N -1 3 430.492 3.457 50 0 IGAAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)c(OC)c1 ZINC000137335877 568909155 /nfs/dbraw/zinc/90/91/55/568909155.db2.gz WVDKNKYAZHNKRD-RJGXRXQPSA-N -1 3 446.459 3.461 50 0 IGAAHM CCN1CCN(c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2C(=O)[O-])CC1 ZINC000064580585 568934569 /nfs/dbraw/zinc/93/45/69/568934569.db2.gz DNNIMZYPZLEHSC-UHFFFAOYSA-N -1 3 431.558 3.451 50 0 IGAAHM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCCN(C)C)c(Cl)c2)cc(C)c1F ZINC000089587208 568938714 /nfs/dbraw/zinc/93/87/14/568938714.db2.gz IDBLOVIMDRSSSS-UHFFFAOYSA-N -1 3 427.929 3.188 50 0 IGAAHM Cc1cccc(S(=O)(=O)[N-]c2ccc(Nc3cc(C)nc(N4CCOCC4)n3)cc2)c1 ZINC000064801913 568961758 /nfs/dbraw/zinc/96/17/58/568961758.db2.gz HDNRRYYTIACREK-UHFFFAOYSA-N -1 3 439.541 3.474 50 0 IGAAHM C[C@@H](OC(=O)c1cccc([N-]S(C)(=O)=O)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000014672049 569161792 /nfs/dbraw/zinc/16/17/92/569161792.db2.gz WMMNZOWDSSPMMG-QGZVFWFLSA-N -1 3 444.553 3.085 50 0 IGAAHM O=C(c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1)N1CC[C@H](CCO)C1 ZINC000089788112 569163281 /nfs/dbraw/zinc/16/32/81/569163281.db2.gz DCVKSSOEWXEXDS-CYBMUJFWSA-N -1 3 426.897 3.124 50 0 IGAAHM COc1ccccc1NC(=O)CSc1nc2c(cnn2-c2ccccc2OC)c(=O)[n-]1 ZINC000016973573 569168488 /nfs/dbraw/zinc/16/84/88/569168488.db2.gz MKVYFCASFYPSHW-UHFFFAOYSA-N -1 3 437.481 3.269 50 0 IGAAHM COc1cc([C@@H]2Nc3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)cc(Br)c1[O-] ZINC000027233009 569186959 /nfs/dbraw/zinc/18/69/59/569186959.db2.gz RQSBWIJLBMFYIG-MRXNPFEDSA-O -1 3 448.322 3.308 50 0 IGAAHM O=S(=O)([N-]C[C@@](O)(c1ccsc1)c1ccco1)c1ccc(Br)s1 ZINC000253471864 569282710 /nfs/dbraw/zinc/28/27/10/569282710.db2.gz GGIIEGDZVFZJOR-CQSZACIVSA-N -1 3 434.358 3.380 50 0 IGAAHM COc1cccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2ccc(OC)cc2OC)c1 ZINC000027527460 569263247 /nfs/dbraw/zinc/26/32/47/569263247.db2.gz OXJQXAOIHUEDSX-UHFFFAOYSA-N -1 3 431.448 3.473 50 0 IGAAHM CCOC(=O)N1CCC([N-]S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000013038274 569307786 /nfs/dbraw/zinc/30/77/86/569307786.db2.gz XDRRTSVBFYMFJC-UHFFFAOYSA-N -1 3 425.732 3.002 50 0 IGAAHM CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O ZINC000020102575 569333918 /nfs/dbraw/zinc/33/39/18/569333918.db2.gz BKPWIKQNMCCEGB-IBGZPJMESA-N -1 3 436.581 3.142 50 0 IGAAHM Cc1nn(C)c(C)c1[C@H]([N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1C)C(F)(F)F ZINC000095408816 569365038 /nfs/dbraw/zinc/36/50/38/569365038.db2.gz ZYNFLMAPHYJAJY-SFHVURJKSA-N -1 3 444.479 3.054 50 0 IGAAHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CCN(Cc2ccco2)CC1 ZINC000095469617 569371571 /nfs/dbraw/zinc/37/15/71/569371571.db2.gz HVHXYINNAYHMSX-UHFFFAOYSA-N -1 3 443.500 3.178 50 0 IGAAHM O=C(c1ccco1)N1CCc2ccc([N-]S(=O)(=O)CCOc3ccccc3)cc2C1 ZINC000096025698 569380854 /nfs/dbraw/zinc/38/08/54/569380854.db2.gz IVCPUMITXFUIDQ-UHFFFAOYSA-N -1 3 426.494 3.299 50 0 IGAAHM COc1cc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)cc2c1OCO2 ZINC000096116942 569383931 /nfs/dbraw/zinc/38/39/31/569383931.db2.gz HDVPSPKJGKPLCU-KPZWWZAWSA-N -1 3 447.513 3.231 50 0 IGAAHM CC(=O)c1sc2[n-]c(CSc3nnnn3-c3cc(C)ccc3C)nc(=O)c2c1C ZINC000003356633 569447625 /nfs/dbraw/zinc/44/76/25/569447625.db2.gz IQKFTYLUBFTDRG-UHFFFAOYSA-N -1 3 426.527 3.380 50 0 IGAAHM COc1cc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C)cc(Br)c1[O-] ZINC000008845619 569478857 /nfs/dbraw/zinc/47/88/57/569478857.db2.gz ACXVAFZJNUJTDF-QGZVFWFLSA-N -1 3 430.258 3.434 50 0 IGAAHM O=C(CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)Nc1ccc2c(c1)OCO2 ZINC000040135415 569490700 /nfs/dbraw/zinc/49/07/00/569490700.db2.gz XFWNFRUSKWDJHE-UHFFFAOYSA-N -1 3 431.876 3.064 50 0 IGAAHM Cc1c(F)cc(C(N)=O)cc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000040139107 569490854 /nfs/dbraw/zinc/49/08/54/569490854.db2.gz QQBXOIHWMYKLSG-UHFFFAOYSA-N -1 3 445.447 3.425 50 0 IGAAHM CC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]Cc3ccccc3Cl)cc21 ZINC000040450134 569506284 /nfs/dbraw/zinc/50/62/84/569506284.db2.gz ULHJHWAVVMVVME-UHFFFAOYSA-N -1 3 443.750 3.490 50 0 IGAAHM CC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]Cc3ccc(Cl)cc3)cc21 ZINC000040450190 569506261 /nfs/dbraw/zinc/50/62/61/569506261.db2.gz OKZUJXOLZKDPIS-UHFFFAOYSA-N -1 3 443.750 3.490 50 0 IGAAHM CC(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1 ZINC000009170165 569509244 /nfs/dbraw/zinc/50/92/44/569509244.db2.gz JZWGAMIZMIXHEF-UHFFFAOYSA-N -1 3 445.541 3.463 50 0 IGAAHM O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)cc1 ZINC000009211561 569511817 /nfs/dbraw/zinc/51/18/17/569511817.db2.gz LMAFBCUZSJZPNQ-UHFFFAOYSA-N -1 3 445.859 3.471 50 0 IGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CNC(=O)c3cccs3)cc2)cc1 ZINC000009224153 569513143 /nfs/dbraw/zinc/51/31/43/569513143.db2.gz BEDTYMJUEZTKRB-UHFFFAOYSA-N -1 3 429.523 3.226 50 0 IGAAHM Cc1ccc(C)c(CSc2nnc(Cc3cc(=O)[n-]c(=O)[nH]3)n2-c2ccc(F)cc2)c1 ZINC000009382060 569528234 /nfs/dbraw/zinc/52/82/34/569528234.db2.gz OATQWHMPMAZLGR-UHFFFAOYSA-N -1 3 437.500 3.283 50 0 IGAAHM O=C1[C@H]2C(C3=Cc4ccccc4OC3)=NOC2=C([O-])N1c1ccc(Br)cc1 ZINC000009409954 569531195 /nfs/dbraw/zinc/53/11/95/569531195.db2.gz VFIVYFIYOVIHGP-FUHWJXTLSA-N -1 3 425.238 3.169 50 0 IGAAHM O=C([N-]c1nnc(-c2ccco2)o1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000009427895 569533461 /nfs/dbraw/zinc/53/34/61/569533461.db2.gz LZCWLBIEBBZDRI-UHFFFAOYSA-N -1 3 436.449 3.333 50 0 IGAAHM CSc1ccccc1-c1nnc([N-]C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)o1 ZINC000009707571 569561603 /nfs/dbraw/zinc/56/16/03/569561603.db2.gz YEKVWQZGGMFEIL-UHFFFAOYSA-N -1 3 444.538 3.495 50 0 IGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3cc(=O)n4ccsc4n3)cc2)cc1 ZINC000009858769 569571708 /nfs/dbraw/zinc/57/17/08/569571708.db2.gz HTFCVWVRGVHBTH-UHFFFAOYSA-N -1 3 427.507 3.444 50 0 IGAAHM COc1ccccc1N1CCN(C[C@@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)[O-])CC1 ZINC000071279617 569573564 /nfs/dbraw/zinc/57/35/64/569573564.db2.gz LRMBFGPOAHJZSU-MRXNPFEDSA-N -1 3 431.920 3.200 50 0 IGAAHM O=C(C(=C([O-])c1ccccc1)n1cc(Cl)ccc1=O)N1CCN(c2ccccc2)CC1 ZINC000009597225 132322799 /nfs/dbraw/zinc/32/27/99/132322799.db2.gz JOZGQZBSDQQKDX-JOCHJYFZSA-N -1 3 435.911 3.275 50 0 IGAAHM CCOc1cc([C@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OC(=O)c1ccccc1 ZINC000020895774 520785236 /nfs/dbraw/zinc/78/52/36/520785236.db2.gz OMVSVEYFMNLLDV-LJQANCHMSA-N -1 3 427.482 3.306 50 0 IGAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)C23C[C@H]4C[C@@H](C2)CC(n2cnc(Cl)n2)(C4)C3)N1 ZINC000035657527 520889026 /nfs/dbraw/zinc/88/90/26/520889026.db2.gz SUUHRRZMSHTKNR-JLVIPLPESA-N -1 3 431.846 3.086 50 0 IGAAHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccc(Cn2cccn2)cc1 ZINC000012864291 523507114 /nfs/dbraw/zinc/50/71/14/523507114.db2.gz HXLPPPYCTZVLPC-UHFFFAOYSA-N -1 3 436.331 3.181 50 0 IGAAHM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OC[C@@H](C(=O)N2CCCCC2)O3)cc1 ZINC000020989675 523996194 /nfs/dbraw/zinc/99/61/94/523996194.db2.gz XYIPQEWOXCFQSI-NRFANRHFSA-N -1 3 430.526 3.202 50 0 IGAAHM Cc1cc(CN2CCN(Cc3nc(=O)c4c(-c5ccc(F)cc5)csc4[n-]3)CC2)no1 ZINC000022792367 524697806 /nfs/dbraw/zinc/69/78/06/524697806.db2.gz RQQLSSDUANDXRL-UHFFFAOYSA-N -1 3 439.516 3.405 50 0 IGAAHM O=C(NCc1ccc(S(=O)(=O)[N-]CCSCc2ccco2)s1)c1ccccc1 ZINC000012367392 526693757 /nfs/dbraw/zinc/69/37/57/526693757.db2.gz HEXNLICYTSPDJY-UHFFFAOYSA-N -1 3 436.580 3.483 50 0 IGAAHM O=c1cc(CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)nc2sccn21 ZINC000022613941 527480778 /nfs/dbraw/zinc/48/07/78/527480778.db2.gz XZMCSEYNNWVKMM-UHFFFAOYSA-N -1 3 442.913 3.124 50 0 IGAAHM COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000002883205 555856608 /nfs/dbraw/zinc/85/66/08/555856608.db2.gz DUBKDBGFVCQYAE-UHFFFAOYSA-N -1 3 440.477 3.292 50 0 IGAAHM COc1ccccc1CC[N-]S(=O)(=O)[C@@H]1CON(C)[C@H]1c1cccc(C(F)(F)F)c1 ZINC000034739187 555891470 /nfs/dbraw/zinc/89/14/70/555891470.db2.gz FVONHWNIHOMAHI-MOPGFXCFSA-N -1 3 444.475 3.163 50 0 IGAAHM O=C([N-]c1nnc(-c2ccccc2Cl)o1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000002723417 556128539 /nfs/dbraw/zinc/12/85/39/556128539.db2.gz IXBOQTUERRDMTN-UHFFFAOYSA-N -1 3 432.889 3.427 50 0 IGAAHM CCOc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1OC ZINC000008741822 556207445 /nfs/dbraw/zinc/20/74/45/556207445.db2.gz QHSNTKCALOCZCF-UWVAXJGDSA-N -1 3 438.402 3.198 50 0 IGAAHM C[C@H](OC(=O)c1cccnc1SC(F)F)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032736241 556306071 /nfs/dbraw/zinc/30/60/71/556306071.db2.gz MUNWPQGFJJHICG-JTQLQIEISA-N -1 3 430.454 3.196 50 0 IGAAHM COc1ccc(/C=C2/N=C(c3ccccc3)N(NC(=O)c3ccccc3[O-])C2=O)cc1OC ZINC000013943695 556340944 /nfs/dbraw/zinc/34/09/44/556340944.db2.gz XTLRGIQIZAQSPJ-XMHGGMMESA-N -1 3 443.459 3.384 50 0 IGAAHM O=C(Nc1ccc2c(c1)OCCO2)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000014240517 556401030 /nfs/dbraw/zinc/40/10/30/556401030.db2.gz XXOGHLAAJWNNEY-UHFFFAOYSA-N -1 3 443.308 3.458 50 0 IGAAHM COc1ccc(C(C)=O)cc1CSCC(=O)N(C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000014372364 556415053 /nfs/dbraw/zinc/41/50/53/556415053.db2.gz GKYROYSXMYKHRA-UHFFFAOYSA-N -1 3 431.539 3.088 50 0 IGAAHM COc1ccc(CNC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)cc1 ZINC000012987056 556427355 /nfs/dbraw/zinc/42/73/55/556427355.db2.gz AVNQBHZXHQPKMN-UHFFFAOYSA-N -1 3 429.325 3.373 50 0 IGAAHM C[C@H](OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(=O)NC1CCCC1 ZINC000013145598 556487759 /nfs/dbraw/zinc/48/77/59/556487759.db2.gz CQJSOCMEYBSLAK-AWEZNQCLSA-N -1 3 434.489 3.231 50 0 IGAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC[C@@H]4CCCO4)CC3)cc2)cc1 ZINC000033115307 556554873 /nfs/dbraw/zinc/55/48/73/556554873.db2.gz LTWYYBRXFTVDBD-FQEVSTJZSA-N -1 3 428.554 3.377 50 0 IGAAHM C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000016046419 556580383 /nfs/dbraw/zinc/58/03/83/556580383.db2.gz MFVZLYXIBMYOIG-ZDUSSCGKSA-N -1 3 449.492 3.047 50 0 IGAAHM CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000100563724 556620717 /nfs/dbraw/zinc/62/07/17/556620717.db2.gz VCFSAPQHUUBITR-NVXWUHKLSA-N -1 3 432.263 3.291 50 0 IGAAHM CC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000100563739 556620759 /nfs/dbraw/zinc/62/07/59/556620759.db2.gz HCFSDELSXXTONQ-WMZOPIPTSA-N -1 3 426.270 3.081 50 0 IGAAHM C[C@H](C(=O)Nc1ccccc1Cl)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011719442 556644823 /nfs/dbraw/zinc/64/48/23/556644823.db2.gz ZUBPVKDJUHEOBK-CYBMUJFWSA-N -1 3 427.979 3.171 50 0 IGAAHM O=C(CSc1nnc2[n-]c(=O)c(-c3ccc(Cl)cc3)nn21)Nc1cccc(F)c1 ZINC000016838796 556645440 /nfs/dbraw/zinc/64/54/40/556645440.db2.gz UWTBKYDEURUOAL-UHFFFAOYSA-N -1 3 430.852 3.003 50 0 IGAAHM CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000018021786 556681498 /nfs/dbraw/zinc/68/14/98/556681498.db2.gz LMTBZMZAEDRZTF-RDJZCZTQSA-N -1 3 432.263 3.291 50 0 IGAAHM O=C(C[C@@H](c1ccccc1)c1cc(Br)ccc1[O-])NCCN1CCOCC1 ZINC000020029135 556968096 /nfs/dbraw/zinc/96/80/96/556968096.db2.gz VMWSSHLPOKCYIQ-SFHVURJKSA-N -1 3 433.346 3.125 50 0 IGAAHM O=C(Cc1c(F)cccc1Cl)N1C[C@@H]2C[C@H]1C[C@@H]2[N-]S(=O)(=O)c1cccs1 ZINC000097139516 556991925 /nfs/dbraw/zinc/99/19/25/556991925.db2.gz HTWMLGWURWXAKA-MKBNYLNASA-N -1 3 428.938 3.051 50 0 IGAAHM COc1ccc(-c2nc3c(c(=O)[n-]2)CCN(C(=O)c2cc(-c4cccs4)n[nH]2)C3)cc1 ZINC000097151640 556992795 /nfs/dbraw/zinc/99/27/95/556992795.db2.gz GJMLLDHEUFUNPM-UHFFFAOYSA-N -1 3 433.493 3.096 50 0 IGAAHM O=C(Nc1ccc(F)cc1F)C1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000046074636 557030649 /nfs/dbraw/zinc/03/06/49/557030649.db2.gz JEOLRJFPUITHHO-ZDUSSCGKSA-N -1 3 442.447 3.405 50 0 IGAAHM COCCN1CCc2nc(SCc3nc(-c4ccccc4OC)oc3C)[n-]c(=O)c2C1 ZINC000033287175 557064237 /nfs/dbraw/zinc/06/42/37/557064237.db2.gz RWWBBWYDQMYRCJ-UHFFFAOYSA-N -1 3 442.541 3.451 50 0 IGAAHM Nc1nc([O-])c([C@]2(O)C(=O)N(Cc3cccc4ccccc43)c3ccc(Cl)cc32)s1 ZINC000017878548 557127311 /nfs/dbraw/zinc/12/73/11/557127311.db2.gz SNZZCSVKRWFFFE-GCJKJVERSA-N -1 3 437.908 3.184 50 0 IGAAHM Cc1cc(OCC(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)ccc1Cl ZINC000011450788 557149429 /nfs/dbraw/zinc/14/94/29/557149429.db2.gz UBWGZVINCPOESQ-UHFFFAOYSA-N -1 3 428.963 3.058 50 0 IGAAHM CCCN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000024837022 557172278 /nfs/dbraw/zinc/17/22/78/557172278.db2.gz XRQGNSKFHCVQMZ-KRWDZBQOSA-N -1 3 440.525 3.155 50 0 IGAAHM CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000018058706 557233920 /nfs/dbraw/zinc/23/39/20/557233920.db2.gz SKGVCCIEXDDZRR-WBVHZDCISA-N -1 3 432.263 3.291 50 0 IGAAHM COc1cc(F)c(S(=O)(=O)[N-]c2ccccc2I)cc1OC ZINC000026527669 557243267 /nfs/dbraw/zinc/24/32/67/557243267.db2.gz JUSXJRUMBVKAQX-UHFFFAOYSA-N -1 3 437.230 3.248 50 0 IGAAHM Cc1nc2cc(NC(=O)[C@@H]([N-]S(=O)(=O)c3cccc4nsnc43)C(C)C)ccc2o1 ZINC000027392807 557261612 /nfs/dbraw/zinc/26/16/12/557261612.db2.gz SUOZLXSMLCAUQF-KRWDZBQOSA-N -1 3 445.526 3.083 50 0 IGAAHM Cc1ccc(Cc2nn3c(nnc3SCNC(=O)c3ccc(Cl)cc3)[n-]c2=O)cc1 ZINC000027546410 557264748 /nfs/dbraw/zinc/26/47/48/557264748.db2.gz ADRITGNYDNEBBN-UHFFFAOYSA-N -1 3 440.916 3.257 50 0 IGAAHM CCOC(=O)[C@@H]1CCCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc(OC)cc2)C1 ZINC000102896673 557411235 /nfs/dbraw/zinc/41/12/35/557411235.db2.gz ZDKVNPOKYIWHDN-CRAIPNDOSA-N -1 3 444.557 3.432 50 0 IGAAHM CC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000100877294 557454654 /nfs/dbraw/zinc/45/46/54/557454654.db2.gz UOXCUMIRKOOANI-SJLPKXTDSA-N -1 3 426.270 3.081 50 0 IGAAHM Cc1cccc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccc(F)c(F)c2)c1 ZINC000051316753 557465448 /nfs/dbraw/zinc/46/54/48/557465448.db2.gz WLFHTPLTXBTGQB-UHFFFAOYSA-N -1 3 427.436 3.426 50 0 IGAAHM Cc1cccc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccc(F)c(F)c2)c1 ZINC000051316753 557465450 /nfs/dbraw/zinc/46/54/50/557465450.db2.gz WLFHTPLTXBTGQB-UHFFFAOYSA-N -1 3 427.436 3.426 50 0 IGAAHM COc1ccccc1CC[N-]S(=O)(=O)[C@H]1CON(C)[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000105049724 557473816 /nfs/dbraw/zinc/47/38/16/557473816.db2.gz FVONHWNIHOMAHI-RBUKOAKNSA-N -1 3 444.475 3.163 50 0 IGAAHM Cc1cccc(NC(=O)CN2CCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)CC2)c1C ZINC000039990619 557674695 /nfs/dbraw/zinc/67/46/95/557674695.db2.gz DADCNLXSHNLKLK-UHFFFAOYSA-N -1 3 445.523 3.455 50 0 IGAAHM Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N(C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000040145205 557702661 /nfs/dbraw/zinc/70/26/61/557702661.db2.gz LQJMBUDDICGQIF-UHFFFAOYSA-N -1 3 425.489 3.127 50 0 IGAAHM CC[C@@H](C)NC(=O)c1cnc2ccc(S(=O)(=O)N(C)c3cc(C)ccc3C)cc2c1[O-] ZINC000009490577 562971982 /nfs/dbraw/zinc/97/19/82/562971982.db2.gz XTZWILAXSNGOHP-MRXNPFEDSA-N -1 3 441.553 3.498 50 0 IGAAHM C[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)OCc1cccc(C(F)(F)F)c1 ZINC000019076914 568636903 /nfs/dbraw/zinc/63/69/03/568636903.db2.gz GHZKQQSSIDZTRD-SNVBAGLBSA-N -1 3 445.444 3.120 50 0 IGAAHM CCOc1cc([C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OC(=O)c1cccs1 ZINC000015832903 568842201 /nfs/dbraw/zinc/84/22/01/568842201.db2.gz ABCKKFVOLCXSEV-KRWDZBQOSA-N -1 3 433.511 3.367 50 0 IGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CNC(=O)C3CCCCC3)cc2)cc1 ZINC000089453660 568925365 /nfs/dbraw/zinc/92/53/65/568925365.db2.gz MGCDFHYAZAKJMY-UHFFFAOYSA-N -1 3 445.541 3.131 50 0 IGAAHM CCN1CCN(c2ncc(-c3cc(=O)[n-]c(Nc4nc5ccccc5s4)n3)c(C)n2)CC1 ZINC000036235776 568979366 /nfs/dbraw/zinc/97/93/66/568979366.db2.gz GBHNYIUAOYVWJN-UHFFFAOYSA-N -1 3 448.556 3.031 50 0 IGAAHM O=C([N-]c1ccc(F)c(F)c1)c1nnc([C@H]2CCCN2C(=O)NC[C@@H]2CCCO2)s1 ZINC000064930879 568989241 /nfs/dbraw/zinc/98/92/41/568989241.db2.gz AJBQCSWGZVRJEY-SWLSCSKDSA-N -1 3 437.472 3.094 50 0 IGAAHM COc1ccc(NC(=O)c2nnc(C[N-]S(=O)(=O)c3ccc(C(C)C)cc3)s2)cc1 ZINC000064991638 569084715 /nfs/dbraw/zinc/08/47/15/569084715.db2.gz AMMIMXZKTLZWPM-UHFFFAOYSA-N -1 3 446.554 3.401 50 0 IGAAHM CCOC(=O)[C@H]1CCCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2cccc(OC)c2)C1 ZINC000036370447 569088675 /nfs/dbraw/zinc/08/86/75/569088675.db2.gz CRAKOLVKNRAHQG-MAUKXSAKSA-N -1 3 444.557 3.432 50 0 IGAAHM CC1CCN(CCNC(=O)c2c([O-])c3sccc3n(Cc3ccccc3)c2=O)CC1 ZINC000065215706 569116856 /nfs/dbraw/zinc/11/68/56/569116856.db2.gz KWZKKFQROIZYMU-UHFFFAOYSA-N -1 3 425.554 3.279 50 0 IGAAHM O=C(NC1CCN(c2ccccn2)CC1)c1c[n-]c2ccc(Br)cc2c1=O ZINC000170594476 569141297 /nfs/dbraw/zinc/14/12/97/569141297.db2.gz UOPGQDGHDSSPGH-UHFFFAOYSA-N -1 3 427.302 3.497 50 0 IGAAHM C[C@H](OC(=O)c1cccc([N-]S(C)(=O)=O)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000014672050 569161798 /nfs/dbraw/zinc/16/17/98/569161798.db2.gz WMMNZOWDSSPMMG-KRWDZBQOSA-N -1 3 444.553 3.085 50 0 IGAAHM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000017155275 569175005 /nfs/dbraw/zinc/17/50/05/569175005.db2.gz QUTZVFMISQKGTP-UHFFFAOYSA-N -1 3 434.461 3.436 50 0 IGAAHM O=S(=O)([N-]CCc1csc2nc(-c3ccc(F)cc3)nn12)c1ccc(F)cc1F ZINC000017156885 569175097 /nfs/dbraw/zinc/17/50/97/569175097.db2.gz FNZGBEIIKPSSSO-UHFFFAOYSA-N -1 3 438.456 3.396 50 0 IGAAHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCNc2ccccc2)c(Br)c1 ZINC000079103850 569325765 /nfs/dbraw/zinc/32/57/65/569325765.db2.gz POSUALJCRWAXIG-UHFFFAOYSA-N -1 3 427.320 3.016 50 0 IGAAHM O=C([O-])[C@]1(NC(=O)COc2ccc(C(F)(F)F)cc2)CCCN(Cc2ccccc2)C1 ZINC000095464049 569370430 /nfs/dbraw/zinc/37/04/30/569370430.db2.gz BPZAJUBCVMKXNV-NRFANRHFSA-N 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COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1c(O)nc([O-])n(-c2ccccc2Cl)c1=O ZINC000008994951 569495558 /nfs/dbraw/zinc/49/55/58/569495558.db2.gz YBWOHWXRSHFPLV-LJQANCHMSA-N -1 3 438.871 3.022 50 0 IGAAHM COc1ccccc1CC[N-]S(=O)(=O)[C@H]1CON(C)[C@H]1c1cccc(C(F)(F)F)c1 ZINC000245279466 569502067 /nfs/dbraw/zinc/50/20/67/569502067.db2.gz FVONHWNIHOMAHI-OALUTQOASA-N -1 3 444.475 3.163 50 0 IGAAHM O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)[N-]Cc3ccccc3)cc21 ZINC000040450522 569506349 /nfs/dbraw/zinc/50/63/49/569506349.db2.gz BMJVLOQOIYJPSY-UHFFFAOYSA-N -1 3 435.343 3.227 50 0 IGAAHM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc3c(cc2Br)OCCO3)c1 ZINC000009224139 569513149 /nfs/dbraw/zinc/51/31/49/569513149.db2.gz YWQUBMFUHYHLCI-UHFFFAOYSA-N -1 3 430.276 3.038 50 0 IGAAHM C[C@]1(CSc2ccccc2C(=O)N[C@@H]2CCSc3ccccc32)NC(=O)[N-]C1=O ZINC000009349007 569524631 /nfs/dbraw/zinc/52/46/31/569524631.db2.gz MACCIHVJYCFHBO-QVKFZJNVSA-N -1 3 427.551 3.344 50 0 IGAAHM C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000009378669 569527639 /nfs/dbraw/zinc/52/76/39/569527639.db2.gz OICBGICVLCZSHC-ZDUSSCGKSA-N -1 3 443.554 3.410 50 0 IGAAHM Cc1ccc(CNC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccccc2Cl)cc1 ZINC000009490620 569540218 /nfs/dbraw/zinc/54/02/18/569540218.db2.gz OYWHDVMPQDRLCO-UHFFFAOYSA-N -1 3 439.928 3.479 50 0 IGAAHM Cc1ccc(CNC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccccc2Cl)cc1 ZINC000009490620 569540219 /nfs/dbraw/zinc/54/02/19/569540219.db2.gz OYWHDVMPQDRLCO-UHFFFAOYSA-N -1 3 439.928 3.479 50 0 IGAAHM C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1)c1ccc(-n2ccnc2)cc1 ZINC000009607972 569552067 /nfs/dbraw/zinc/55/20/67/569552067.db2.gz ZXJQJJDYHVITSV-CQSZACIVSA-N -1 3 444.944 3.457 50 0 IGAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000009713077 569562511 /nfs/dbraw/zinc/56/25/11/569562511.db2.gz RZZXZSMQMMWDAU-GOSISDBHSA-N -1 3 434.521 3.443 50 0 IGAAHM CCOc1ccc([C@H](c2sc3nc(CC)nn3c2[O-])N2CCC3(CC2)OCCO3)cc1 ZINC000022854137 122389816 /nfs/dbraw/zinc/38/98/16/122389816.db2.gz WPJCWESUEOISQS-GOSISDBHSA-N -1 3 444.557 3.386 50 0 IGAAHM O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)C1CC1 ZINC000009884644 132330963 /nfs/dbraw/zinc/33/09/63/132330963.db2.gz FOHGQFWIBLHPEX-UHFFFAOYSA-N -1 3 435.933 3.326 50 0 IGAAHM CCCCCCC(=O)N1CCN(c2nc(CN(CC)Cc3ccccc3)cc(=O)[n-]2)CC1 ZINC000035926516 519953484 /nfs/dbraw/zinc/95/34/84/519953484.db2.gz XPNCKGRKQPEYSE-UHFFFAOYSA-N -1 3 439.604 3.411 50 0 IGAAHM COc1cc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc(Cl)c1OC ZINC000012797975 522068600 /nfs/dbraw/zinc/06/86/00/522068600.db2.gz NMUKEPMWUQNJIC-UHFFFAOYSA-N -1 3 444.962 3.002 50 0 IGAAHM COC(=O)c1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000012380797 522112732 /nfs/dbraw/zinc/11/27/32/522112732.db2.gz QOZGJWSLLOMPKT-SNVBAGLBSA-N -1 3 431.297 3.086 50 0 IGAAHM COc1ccc(-c2c[nH]nc2-c2ccc(OCCN3CCOCC3)cc2[O-])cc1OC ZINC000020592265 523081795 /nfs/dbraw/zinc/08/17/95/523081795.db2.gz XGNDXKHNDVJBHF-UHFFFAOYSA-N -1 3 425.485 3.178 50 0 IGAAHM COc1ccc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1Br ZINC000012796356 524024122 /nfs/dbraw/zinc/02/41/22/524024122.db2.gz HRCMKYOQRFZTBS-UHFFFAOYSA-N -1 3 445.404 3.462 50 0 IGAAHM COc1ccc(CN2CCN([C@@H](C(=O)[O-])c3c[nH]c4ccccc43)CC2)c(OC)c1OC ZINC000020745371 524032657 /nfs/dbraw/zinc/03/26/57/524032657.db2.gz JWBSVPKDLMIPQU-OAQYLSRUSA-N -1 3 439.512 3.137 50 0 IGAAHM C[C@H](CCc1ccccc1)n1c(=O)[nH]c([O-])c([C@H]2NCCc3c4ccccc4[nH]c32)c1=O ZINC000020757333 524250042 /nfs/dbraw/zinc/25/00/42/524250042.db2.gz RBPLPCIJFWKKGD-IVZQSRNASA-N -1 3 430.508 3.152 50 0 IGAAHM C[C@H](CCc1ccccc1)n1c([O-])c([C@H]2NCCc3c4ccccc4[nH]c32)c(=O)[nH]c1=O ZINC000020757333 524250051 /nfs/dbraw/zinc/25/00/51/524250051.db2.gz RBPLPCIJFWKKGD-IVZQSRNASA-N -1 3 430.508 3.152 50 0 IGAAHM CC(=O)N1CCOc2cc(S(=O)(=O)[N-]c3ccccc3Br)c(C)cc21 ZINC000009406970 534802238 /nfs/dbraw/zinc/80/22/38/534802238.db2.gz SNGUGLANKCYBMP-UHFFFAOYSA-N -1 3 425.304 3.304 50 0 IGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccco3)N(C)C)cc2)cc1 ZINC000012604760 525299987 /nfs/dbraw/zinc/29/99/87/525299987.db2.gz JCUVOSCLTSTIBF-FQEVSTJZSA-N -1 3 427.526 3.422 50 0 IGAAHM Cc1ccnc([N-]C(=O)c2nc(-c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)no2)c1 ZINC000035512701 525690191 /nfs/dbraw/zinc/69/01/91/525690191.db2.gz PYHNKVOJFVEOSE-UHFFFAOYSA-N -1 3 441.513 3.175 50 0 IGAAHM O=C(NCc1cn2ccccc2n1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000012547799 526804074 /nfs/dbraw/zinc/80/40/74/526804074.db2.gz PTKNCQXRWLKVID-UHFFFAOYSA-N -1 3 439.324 3.012 50 0 IGAAHM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)NC(=O)Nc1ccccc1F ZINC000012750100 527057258 /nfs/dbraw/zinc/05/72/58/527057258.db2.gz HTNCXGICIIJLDH-UHFFFAOYSA-N -1 3 438.444 3.101 50 0 IGAAHM Cn1cccc1[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)N1CCc2ccccc2C1 ZINC000021153702 527402869 /nfs/dbraw/zinc/40/28/69/527402869.db2.gz UPHXHQYNPVHNRV-OAQYLSRUSA-N -1 3 431.508 3.381 50 0 IGAAHM COC(=O)C1=CN(C(C)C)C=C(C(=O)OC)C1c1cc(Br)c([O-])c(OC)c1 ZINC000002797548 555823070 /nfs/dbraw/zinc/82/30/70/555823070.db2.gz OMNVMBBAPYFRPF-UHFFFAOYSA-N -1 3 440.290 3.085 50 0 IGAAHM C[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)NCc1ccccc1F ZINC000014018087 556356061 /nfs/dbraw/zinc/35/60/61/556356061.db2.gz BTDXMXKPPRORNL-JTQLQIEISA-N -1 3 438.830 3.481 50 0 IGAAHM CC(C)c1cc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)c([O-])c(C(C)C)c1 ZINC000032817383 556393194 /nfs/dbraw/zinc/39/31/94/556393194.db2.gz IXNDUPUQJQAWOH-UHFFFAOYSA-N -1 3 431.558 3.181 50 0 IGAAHM O=S(=O)([N-]Cc1ccnc(N2CCOCC2)c1)c1cc(C(F)(F)F)ccc1Cl ZINC000028053988 556442942 /nfs/dbraw/zinc/44/29/42/556442942.db2.gz FILDIABIAQPRQX-UHFFFAOYSA-N -1 3 435.855 3.069 50 0 IGAAHM COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000029897151 556485898 /nfs/dbraw/zinc/48/58/98/556485898.db2.gz AIVYYUALRVOIKB-LBPRGKRZSA-N -1 3 444.431 3.106 50 0 IGAAHM CCCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000003100930 556521223 /nfs/dbraw/zinc/52/12/23/556521223.db2.gz HWDWUXFBRBQQIB-HNNXBMFYSA-N -1 3 427.295 3.477 50 0 IGAAHM COCCn1c2ccccc2nc1S[C@@H](C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000015497635 556531332 /nfs/dbraw/zinc/53/13/32/556531332.db2.gz HHWVOEYOOXWNCH-AWEZNQCLSA-N -1 3 433.555 3.418 50 0 IGAAHM CCCS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2sc(C)c(C)c2C(=O)OCC)n1 ZINC000016753867 556638609 /nfs/dbraw/zinc/63/86/09/556638609.db2.gz PHGUFZLJVXSUAT-UHFFFAOYSA-N -1 3 445.950 3.421 50 0 IGAAHM CCCN(CCC)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3cccnc3)o2)cc1 ZINC000011726452 556646867 /nfs/dbraw/zinc/64/68/67/556646867.db2.gz VWHKBGLRONSCIR-UHFFFAOYSA-N -1 3 429.502 3.195 50 0 IGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cccc(C)c1N(Cc1ccccc1Cl)C2=O ZINC000033014258 556664370 /nfs/dbraw/zinc/66/43/70/556664370.db2.gz WIQKTESIWKEPNX-OAQYLSRUSA-N -1 3 442.928 3.350 50 0 IGAAHM CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000018202703 556686600 /nfs/dbraw/zinc/68/66/00/556686600.db2.gz LMTBZMZAEDRZTF-WBVHZDCISA-N -1 3 432.263 3.291 50 0 IGAAHM CCCCN(C)C(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000033033504 556714442 /nfs/dbraw/zinc/71/44/42/556714442.db2.gz HTEQUXMJLSZTHL-UHFFFAOYSA-N -1 3 444.601 3.078 50 0 IGAAHM CCN(Cc1cc([N-]c2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)C(C)(C)CO ZINC000058660958 556791049 /nfs/dbraw/zinc/79/10/49/556791049.db2.gz RHGZQGXELRMGES-UHFFFAOYSA-N -1 3 426.550 3.221 50 0 in-vitro IGAAHM O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)N1CC=C(c2ccccc2)CC1 ZINC000009597755 556928717 /nfs/dbraw/zinc/92/87/17/556928717.db2.gz REUZQSKKORPVPK-UHFFFAOYSA-N -1 3 441.372 3.105 50 0 IGAAHM COc1cc(OC)cc([C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)c2nccn2C)c1 ZINC000010748003 557023624 /nfs/dbraw/zinc/02/36/24/557023624.db2.gz SILVGWAQSIAIIY-INIZCTEOSA-N -1 3 427.935 3.220 50 0 IGAAHM Cc1cccc(NC(=O)C2CC(=O)Nc3nc(SCCc4ccccc4)[n-]c(=O)c32)c1 ZINC000046074293 557030149 /nfs/dbraw/zinc/03/01/49/557030149.db2.gz SOKZZXZZVCKNOJ-QGZVFWFLSA-N -1 3 434.521 3.478 50 0 IGAAHM CCCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(F)c(C)c3)ccc21 ZINC000017286968 557044876 /nfs/dbraw/zinc/04/48/76/557044876.db2.gz CMKUGIXURXFHIX-UHFFFAOYSA-N -1 3 426.535 3.427 50 0 IGAAHM O=C(Nc1ccccc1N1CCCC1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000048289738 557054706 /nfs/dbraw/zinc/05/47/06/557054706.db2.gz VJGWOCSOJAVBAZ-UHFFFAOYSA-N -1 3 434.587 3.323 50 0 IGAAHM COc1ccc2c(c1)CCCN2C(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2Cc1ccccc1 ZINC000048300514 557062397 /nfs/dbraw/zinc/06/23/97/557062397.db2.gz ZMVPXRDKAUGUKW-UHFFFAOYSA-N -1 3 442.475 3.147 50 0 IGAAHM CCOC(=O)CN(CCOC)Cc1nc(=O)c2c([n-]1)sc(C)c2-c1ccc(C)cc1 ZINC000048345052 557071964 /nfs/dbraw/zinc/07/19/64/557071964.db2.gz ORROVHGFJWWYDP-UHFFFAOYSA-N -1 3 429.542 3.280 50 0 IGAAHM CCOC(=O)c1sc2[n-]c([C@H](C)NCCOc3ccccc3OC)nc(=O)c2c1C ZINC000023466508 557093123 /nfs/dbraw/zinc/09/31/23/557093123.db2.gz FKMGCINHNWQCQZ-ZDUSSCGKSA-N -1 3 431.514 3.208 50 0 IGAAHM COc1cccc(C2=NOC3=C([O-])N(c4ccc(C)cc4Br)C(=O)[C@H]23)c1OC ZINC000017861450 557126885 /nfs/dbraw/zinc/12/68/85/557126885.db2.gz YMCURMSSWDITDA-QAPCUYQASA-N -1 3 445.269 3.067 50 0 IGAAHM CSCC[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)NC1CC1 ZINC000023983326 557129599 /nfs/dbraw/zinc/12/95/99/557129599.db2.gz SLAFCPWPWGGBII-GFCCVEGCSA-N -1 3 430.901 3.037 50 0 IGAAHM CC(C)(C)c1ccc(OCC(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000011450792 557149478 /nfs/dbraw/zinc/14/94/78/557149478.db2.gz GSWXALHWKMCYQQ-UHFFFAOYSA-N -1 3 436.599 3.394 50 0 IGAAHM O=C(CSc1nc2ccc(I)cc2c(=O)[n-]1)N1CCCCC1 ZINC000016393375 557150927 /nfs/dbraw/zinc/15/09/27/557150927.db2.gz XNUPSXXGBZXEOZ-UHFFFAOYSA-N -1 3 429.283 3.045 50 0 IGAAHM COc1ccc(/C=C/c2nc(-c3ccccc3[O-])n(CCN3CCOCC3)n2)cc1OC ZINC000016957148 557158815 /nfs/dbraw/zinc/15/88/15/557158815.db2.gz IYVJRBSNUIWEFD-CSKARUKUSA-N -1 3 436.512 3.171 50 0 IGAAHM O=c1c(CN2CCc3ccccc3C2)coc([O-])c1CN1CCN(c2ccc(F)cc2)CC1 ZINC000101407531 557284095 /nfs/dbraw/zinc/28/40/95/557284095.db2.gz ULNIQDJXZKTEOX-UHFFFAOYSA-N -1 3 449.526 3.365 50 0 IGAAHM O=c1occ(CN2CCc3ccccc3C2)c([O-])c1CN1CCN(c2ccc(F)cc2)CC1 ZINC000101407531 557284096 /nfs/dbraw/zinc/28/40/96/557284096.db2.gz ULNIQDJXZKTEOX-UHFFFAOYSA-N -1 3 449.526 3.365 50 0 IGAAHM C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[N-]c3nnc(Cc4cccs4)o3)cc2)C1 ZINC000011694650 557392967 /nfs/dbraw/zinc/39/29/67/557392967.db2.gz LOIHMLGMCZAYLQ-AWEZNQCLSA-N -1 3 446.554 3.395 50 0 IGAAHM O=C(c1nc(Br)sc1C1CC1)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000225475108 557727330 /nfs/dbraw/zinc/72/73/30/557727330.db2.gz XMULQDZPIJETOV-UHFFFAOYSA-N -1 3 436.331 3.087 50 0 IGAAHM CCC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@H]1c1ccc(OC)cc1OC ZINC000225517898 557734158 /nfs/dbraw/zinc/73/41/58/557734158.db2.gz CJHABMNVOMOCCJ-IBGZPJMESA-N -1 3 431.514 3.163 50 0 IGAAHM O=C(NCc1cccs1)[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000004034775 562940974 /nfs/dbraw/zinc/94/09/74/562940974.db2.gz AWQXSYUBSOGEQL-QGZVFWFLSA-N -1 3 444.563 3.089 50 0 IGAAHM Cc1ccccc1Cn1nnc2c1nc(C1CCN(C(=O)c3ccc(F)cc3)CC1)[n-]c2=O ZINC000008612528 562959231 /nfs/dbraw/zinc/95/92/31/562959231.db2.gz DJJPREJGTZIKEE-UHFFFAOYSA-N -1 3 446.486 3.030 50 0 IGAAHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)cc1 ZINC000017013767 563021227 /nfs/dbraw/zinc/02/12/27/563021227.db2.gz GMQQJABMKZDKSK-UHFFFAOYSA-N -1 3 440.529 3.354 50 0 IGAAHM Cc1c(NC(=O)[C@@H](C)Sc2n[n-]c(-c3cccs3)n2)c(=O)n(-c2ccccc2)n1C ZINC000015227783 568735006 /nfs/dbraw/zinc/73/50/06/568735006.db2.gz IRHXYOLXZNMKBW-CYBMUJFWSA-N -1 3 440.554 3.450 50 0 IGAAHM COC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1 ZINC000238899904 568910061 /nfs/dbraw/zinc/91/00/61/568910061.db2.gz HGEYGPHKXWJQND-YPAWHYETSA-N -1 3 444.443 3.230 50 0 IGAAHM Cc1cc(Nc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)nc(N2CCOCC2)n1 ZINC000064801911 568961712 /nfs/dbraw/zinc/96/17/12/568961712.db2.gz VBYIZACBCWTKGB-UHFFFAOYSA-N -1 3 425.514 3.166 50 0 IGAAHM Cc1cc(C)c(S(=O)(=O)NCc2nnc(C(=O)[N-]c3ccccc3F)s2)c(C)c1 ZINC000064991747 569084709 /nfs/dbraw/zinc/08/47/09/569084709.db2.gz QPQPJWXNBQSWJE-UHFFFAOYSA-N -1 3 434.518 3.333 50 0 IGAAHM O=C(CSc1nc2c(cnn2Cc2cccc(Cl)c2)c(=O)[n-]1)NC1CCCCC1 ZINC000036712360 569137344 /nfs/dbraw/zinc/13/73/44/569137344.db2.gz HFOMLRSFYTXPSH-UHFFFAOYSA-N -1 3 431.949 3.362 50 0 IGAAHM O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1nnc2ccccc2c1[O-] ZINC000170625160 569148432 /nfs/dbraw/zinc/14/84/32/569148432.db2.gz YVARDMXOOZRLJL-UHFFFAOYSA-N -1 3 431.414 3.420 50 0 IGAAHM O=S(=O)([N-]Cc1ccc(-n2cccn2)nc1)c1ccc(Br)cc1Cl ZINC000014100844 569157827 /nfs/dbraw/zinc/15/78/27/569157827.db2.gz YCUZGSBBSALIPG-UHFFFAOYSA-N -1 3 427.711 3.162 50 0 IGAAHM Cc1cc(I)ccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000001059355 569176608 /nfs/dbraw/zinc/17/66/08/569176608.db2.gz IKRFCYLAYJCYIU-UHFFFAOYSA-N -1 3 430.267 3.223 50 0 IGAAHM C[C@@H]1CCCCN1CCNC(=O)c1ccc(Cn2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000012385134 569304224 /nfs/dbraw/zinc/30/42/24/569304224.db2.gz PREULFKSIJNCFR-QGZVFWFLSA-N -1 3 436.581 3.338 50 0 IGAAHM C[C@H]1CCCCN1CCNC(=O)c1ccc(Cn2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000012385135 569304285 /nfs/dbraw/zinc/30/42/85/569304285.db2.gz PREULFKSIJNCFR-KRWDZBQOSA-N -1 3 436.581 3.338 50 0 IGAAHM Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000328591628 569317111 /nfs/dbraw/zinc/31/71/11/569317111.db2.gz BJOHHDPNZIVNAA-QGZVFWFLSA-N -1 3 434.924 3.142 50 0 IGAAHM COC(=O)C[C@H](c1ccnn1C)c1oc(CSc2cccc(OC)c2)cc(=O)c1[O-] ZINC000095472555 569372128 /nfs/dbraw/zinc/37/21/28/569372128.db2.gz MDOGFXIVXULUGV-MRXNPFEDSA-N -1 3 430.482 3.075 50 0 IGAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc3c(c2)OCCO3)CCO1 ZINC000096117605 569384312 /nfs/dbraw/zinc/38/43/12/569384312.db2.gz VSIWMPSZCULGCH-SCLBCKFNSA-N -1 3 431.514 3.265 50 0 IGAAHM Nc1nc([O-])c([C@@]2(O)C(=O)N(Cc3cccc4ccccc43)c3ccc(Cl)cc32)s1 ZINC000096318585 569393833 /nfs/dbraw/zinc/39/38/33/569393833.db2.gz SNZZCSVKRWFFFE-XMSQKQJNSA-N -1 3 437.908 3.184 50 0 IGAAHM Cc1ccc([C@]2(C)NC(=O)N(Cc3nc(=O)c4c5c(sc4[n-]3)C[C@@H](C)CC5)C2=O)cc1 ZINC000002627318 569411839 /nfs/dbraw/zinc/41/18/39/569411839.db2.gz JQPILNXTVQNLON-NPMABZOXSA-N -1 3 436.537 3.385 50 0 IGAAHM COc1c(C)cnc(CN2CCN([C@@H](C(=O)[O-])c3c[nH]c4cc(F)ccc43)CC2)c1C ZINC000031807039 569457501 /nfs/dbraw/zinc/45/75/01/569457501.db2.gz FIZIXPYBAJUMRT-OAQYLSRUSA-N -1 3 426.492 3.271 50 0 IGAAHM CCNC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc([O-])cc1)CC2 ZINC000008629195 569469496 /nfs/dbraw/zinc/46/94/96/569469496.db2.gz JAGGTQVGXSDOKY-DTQAZKPQSA-N -1 3 445.475 3.430 50 0 IGAAHM Cc1sc2ncnc(N3CCC(C(=O)Nc4cccc(-c5nnn[n-]5)c4)CC3)c2c1C ZINC000008862397 569480127 /nfs/dbraw/zinc/48/01/27/569480127.db2.gz BPXYPBBTSXAUFO-UHFFFAOYSA-N -1 3 434.529 3.343 50 0 IGAAHM Cc1sc2ncnc(N3CCC(C(=O)Nc4cccc(-c5nn[n-]n5)c4)CC3)c2c1C ZINC000008862397 569480128 /nfs/dbraw/zinc/48/01/28/569480128.db2.gz BPXYPBBTSXAUFO-UHFFFAOYSA-N -1 3 434.529 3.343 50 0 IGAAHM O=S(=O)([N-]C[C@@H](c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc(Cl)s1 ZINC000009005315 569496134 /nfs/dbraw/zinc/49/61/34/569496134.db2.gz HOLQLJFPYMINKX-HNNXBMFYSA-N -1 3 442.971 3.290 50 0 IGAAHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)s2)[C@H]1C ZINC000245276789 569501956 /nfs/dbraw/zinc/50/19/56/569501956.db2.gz WDUHAFHDGZKMDW-WWGRRREGSA-N -1 3 433.555 3.042 50 0 IGAAHM Cc1ccc(CC(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4cccs4)c(=O)[n-]3)C2)cc1 ZINC000009195419 569510976 /nfs/dbraw/zinc/51/09/76/569510976.db2.gz KUDZWSOHNDBSGS-QGZVFWFLSA-N -1 3 448.552 3.294 50 0 IGAAHM COc1ccc(-n2c3nc(NC(=O)Nc4ccc(Cl)cc4)sc3c(=O)[n-]c2=O)cc1 ZINC000009341591 569523893 /nfs/dbraw/zinc/52/38/93/569523893.db2.gz YKTATNGVZRZFPE-UHFFFAOYSA-N -1 3 443.872 3.442 50 0 IGAAHM CC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000009347643 569524333 /nfs/dbraw/zinc/52/43/33/569524333.db2.gz CWNCITDUXXKSFA-WBVHZDCISA-N -1 3 446.688 3.426 50 0 IGAAHM COc1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)cc1Cl ZINC000009597761 569550916 /nfs/dbraw/zinc/55/09/16/569550916.db2.gz AUYNPHFGPOHBQT-UHFFFAOYSA-N -1 3 439.740 3.090 50 0 IGAAHM CSc1ncc(C(=O)OCC(=O)c2ccc([N-]S(C)(=O)=O)cc2)n1-c1ccccc1 ZINC000009672173 569558728 /nfs/dbraw/zinc/55/87/28/569558728.db2.gz MIYJDLHEKXEHTE-UHFFFAOYSA-N -1 3 445.522 3.005 50 0 IGAAHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000009684241 569560522 /nfs/dbraw/zinc/56/05/22/569560522.db2.gz PGZPUEDARYUDDL-UHFFFAOYSA-N -1 3 449.479 3.181 50 0 IGAAHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009713975 569562701 /nfs/dbraw/zinc/56/27/01/569562701.db2.gz XHKOJKUHLKYCKZ-AWEZNQCLSA-N -1 3 435.596 3.432 50 0 IGAAHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000009713973 569562735 /nfs/dbraw/zinc/56/27/35/569562735.db2.gz XHKOJKUHLKYCKZ-CQSZACIVSA-N -1 3 435.596 3.432 50 0 IGAAHM CCOC(=O)C[C@H](c1ccc(OC2CCCC2)c(OC)c1)c1oc(CO)cc(=O)c1[O-] ZINC000071280086 569573644 /nfs/dbraw/zinc/57/36/44/569573644.db2.gz AVJVXJUYVDWLBC-QGZVFWFLSA-N -1 3 432.469 3.253 50 0 IGAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)N3CCN(c4ccccc4F)CC3)cc2O1 ZINC000009340537 132314116 /nfs/dbraw/zinc/31/41/16/132314116.db2.gz RPYNVMZBBIVGGL-UHFFFAOYSA-N -1 3 428.460 3.003 50 0 IGAAHM Cc1ccccc1Cc1c(C)nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[n-]c1=O ZINC000009614662 132323669 /nfs/dbraw/zinc/32/36/69/132323669.db2.gz GCYRLTLDMGJUFM-UHFFFAOYSA-N -1 3 432.524 3.028 50 0 IGAAHM CCOC(=O)C1CCN([C@H](c2sc3nc(CC)nn3c2[O-])c2cccc(OC)c2)CC1 ZINC000022853529 520582840 /nfs/dbraw/zinc/58/28/40/520582840.db2.gz CDBDAZZOVGIHNF-SFHVURJKSA-N -1 3 444.557 3.432 50 0 IGAAHM CCOc1cc(Nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)nc(C)n1 ZINC000012226355 520766116 /nfs/dbraw/zinc/76/61/16/520766116.db2.gz QYVPJESVKHZORN-UHFFFAOYSA-N -1 3 442.497 3.499 50 0 IGAAHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)ccc2C)cc1 ZINC000012521333 521130725 /nfs/dbraw/zinc/13/07/25/521130725.db2.gz MIFZOMQGHBFLTA-IAGOWNOFSA-N -1 3 432.542 3.444 50 0 IGAAHM CCOC(=O)[C@]([N-]S(=O)(=O)c1ccccc1)(C(F)(F)F)[P@](C)(=O)OC(C)C ZINC000012412236 521350275 /nfs/dbraw/zinc/35/02/75/521350275.db2.gz LPBDKVRBWLPMBN-IYJVBRSBSA-N -1 3 431.369 3.120 50 0 IGAAHM CCCn1c2ccc([N-]S(C)(=O)=O)cc2nc1CN1CCN(c2ccccc2)CC1 ZINC000020621781 521629136 /nfs/dbraw/zinc/62/91/36/521629136.db2.gz OIKZWXRJEUHKLD-UHFFFAOYSA-N -1 3 427.574 3.140 50 0 IGAAHM CCCN1C(=O)[C@]([N-]S(=O)(=O)c2ccc(C)cc2)(C(F)(F)F)N=C1c1ccccc1 ZINC000012411094 521701587 /nfs/dbraw/zinc/70/15/87/521701587.db2.gz NRLAWDIXJGENSJ-IBGZPJMESA-N -1 3 439.459 3.231 50 0 IGAAHM COc1cc(NC(=O)c2cccc(-c3nnn[n-]3)c2)c(OC)cc1NC(=O)c1ccccc1 ZINC000012932204 522726651 /nfs/dbraw/zinc/72/66/51/522726651.db2.gz DHVJLDRJHCXXFJ-UHFFFAOYSA-N -1 3 444.451 3.389 50 0 IGAAHM COc1cc(NC(=O)c2cccc(-c3nn[n-]n3)c2)c(OC)cc1NC(=O)c1ccccc1 ZINC000012932204 522726659 /nfs/dbraw/zinc/72/66/59/522726659.db2.gz DHVJLDRJHCXXFJ-UHFFFAOYSA-N -1 3 444.451 3.389 50 0 IGAAHM COc1ccccc1CN1CCc2nc(SCC(=O)Nc3ccccc3)[n-]c(=O)c2C1 ZINC000020467753 524455844 /nfs/dbraw/zinc/45/58/44/524455844.db2.gz NGJPACMKDFEZBI-UHFFFAOYSA-N -1 3 436.537 3.480 50 0 IGAAHM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccco3)N(C)C)c2)c1 ZINC000012526309 524692667 /nfs/dbraw/zinc/69/26/67/524692667.db2.gz GJKRXFQKUYBUCT-FQEVSTJZSA-N -1 3 427.526 3.422 50 0 IGAAHM C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C[C@@H](C)O1 ZINC000012507846 524889254 /nfs/dbraw/zinc/88/92/54/524889254.db2.gz QKNAGGMBPGKZIT-QZTJIDSGSA-N -1 3 445.585 3.105 50 0 IGAAHM COc1ccc(OCCOc2ccccc2)c([C@H]2SC([N-]C(C)=O)=NN2C(C)=O)c1 ZINC000020896388 524963926 /nfs/dbraw/zinc/96/39/26/524963926.db2.gz SEEYXRMUOYEUDX-HXUWFJFHSA-N -1 3 429.498 3.154 50 0 IGAAHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCCn1ccc2ccccc21 ZINC000033028386 526885356 /nfs/dbraw/zinc/88/53/56/526885356.db2.gz FIZAMHXRNGHEQU-UHFFFAOYSA-N -1 3 440.352 3.433 50 0 IGAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000012778832 527052860 /nfs/dbraw/zinc/05/28/60/527052860.db2.gz QQFFKMCLSBLZHC-UHFFFAOYSA-N -1 3 449.583 3.049 50 0 IGAAHM O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)[N-]C(=O)c1cccs1 ZINC000012788884 527080044 /nfs/dbraw/zinc/08/00/44/527080044.db2.gz BOMKWSXDFKSOGU-UHFFFAOYSA-N -1 3 425.495 3.092 50 0 IGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1I ZINC000000640351 555518082 /nfs/dbraw/zinc/51/80/82/555518082.db2.gz WUEQLRUPCQKHHS-UHFFFAOYSA-N -1 3 449.266 3.118 50 0 IGAAHM COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCCOc2ccccc2)cc(Cl)c1[O-] ZINC000008781323 556215035 /nfs/dbraw/zinc/21/50/35/556215035.db2.gz KCGJPQIGKYTZQW-GOSISDBHSA-N -1 3 432.860 3.304 50 0 biogenic,in-vitro IGAAHM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000032739762 556300410 /nfs/dbraw/zinc/30/04/10/556300410.db2.gz IXUVROMFFDSTCJ-LBPRGKRZSA-N -1 3 444.538 3.085 50 0 IGAAHM O=C(Nc1ccccc1[O-])[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000014337697 556413897 /nfs/dbraw/zinc/41/38/97/556413897.db2.gz XOTNKWSGWKPHDL-ZDUSSCGKSA-N -1 3 439.331 3.194 50 0 IGAAHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc4c(c3)nc3n(c4=O)CCC3)nc(=O)c2c1C ZINC000013097563 556458238 /nfs/dbraw/zinc/45/82/38/556458238.db2.gz RGHHGMOISASQDB-LLVKDONJSA-N -1 3 436.493 3.176 50 0 IGAAHM Cc1c(C(=O)N(C)Cc2nc3ccsc3c(=O)[n-]2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000030582047 556498729 /nfs/dbraw/zinc/49/87/29/556498729.db2.gz DBBSXOCKSCSKLM-UHFFFAOYSA-N -1 3 448.430 3.165 50 0 IGAAHM Cc1nn2c(nnc2S[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)[n-]c1=O ZINC000015481707 556530191 /nfs/dbraw/zinc/53/01/91/556530191.db2.gz WEOLYJZGYSJUQQ-LURJTMIESA-N -1 3 433.708 3.201 50 0 IGAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC[C@H]4CCCO4)CC3)cc2)cc1 ZINC000033115308 556554906 /nfs/dbraw/zinc/55/49/06/556554906.db2.gz LTWYYBRXFTVDBD-HXUWFJFHSA-N -1 3 428.554 3.377 50 0 IGAAHM COc1ccc(-n2c3nc(NC(=O)Nc4cccc(Cl)c4)sc3c(=O)[n-]c2=O)cc1 ZINC000001070460 556573863 /nfs/dbraw/zinc/57/38/63/556573863.db2.gz CZKJBLXGNOUOCV-UHFFFAOYSA-N -1 3 443.872 3.442 50 0 IGAAHM C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011718678 556644401 /nfs/dbraw/zinc/64/44/01/556644401.db2.gz RYZSAFYBLCYYRV-CYBMUJFWSA-N -1 3 427.979 3.171 50 0 IGAAHM COc1ccc(-c2cc(C(=O)N3NC4=C(CCCC4)[C@]3([O-])C(F)(F)F)[nH]n2)cc1OC ZINC000033027870 556708176 /nfs/dbraw/zinc/70/81/76/556708176.db2.gz DCTMRWZIHFZGMF-BLVKFPJESA-N -1 3 438.406 3.347 50 0 IGAAHM COc1ccc(-c2cc(C(=O)N3NC4=C(CCCC4)[C@]3([O-])C(F)(F)F)[nH]n2)cc1OC ZINC000033027868 556708188 /nfs/dbraw/zinc/70/81/88/556708188.db2.gz DCTMRWZIHFZGMF-BUXKBTBVSA-N -1 3 438.406 3.347 50 0 IGAAHM Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(CN3CCC(O)CC3)nc(=O)c12 ZINC000033040081 556731910 /nfs/dbraw/zinc/73/19/10/556731910.db2.gz SDYIDEJMUFJPTF-UHFFFAOYSA-N -1 3 426.542 3.119 50 0 IGAAHM CCOC(=O)[C@]([N-]c1nc2ccccc2nc1C(F)(F)F)(NC(=O)CC)C(F)(F)F ZINC000005223610 556743975 /nfs/dbraw/zinc/74/39/75/556743975.db2.gz VPLLKYPORSZZIQ-OAHLLOKOSA-N -1 3 438.328 3.408 50 0 IGAAHM CC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cc21 ZINC000033129696 556868851 /nfs/dbraw/zinc/86/88/51/556868851.db2.gz GUIGKJSOLQVBNZ-UHFFFAOYSA-N -1 3 449.523 3.486 50 0 IGAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(Br)cc1)CC(=O)N2 ZINC000046074058 557030234 /nfs/dbraw/zinc/03/02/34/557030234.db2.gz FNACCXSDAHZUBW-LLVKDONJSA-N -1 3 437.319 3.099 50 0 IGAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1Br)CC(=O)N2 ZINC000046074046 557030362 /nfs/dbraw/zinc/03/03/62/557030362.db2.gz HGIBTCGFNUEAHP-SECBINFHSA-N -1 3 437.319 3.099 50 0 IGAAHM COc1cccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)c1 ZINC000046074646 557030660 /nfs/dbraw/zinc/03/06/60/557030660.db2.gz OYKHXMPHPJFIDC-INIZCTEOSA-N -1 3 436.493 3.135 50 0 IGAAHM O=S(=O)([N-]C[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1)c1cccs1 ZINC000017177918 557030913 /nfs/dbraw/zinc/03/09/13/557030913.db2.gz WELIJVCYSWCLGA-SFHVURJKSA-N -1 3 435.546 3.322 50 0 IGAAHM O=S(=O)([N-]C[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1)c1cccs1 ZINC000017177921 557030948 /nfs/dbraw/zinc/03/09/48/557030948.db2.gz WELIJVCYSWCLGA-GOSISDBHSA-N -1 3 435.546 3.322 50 0 IGAAHM CCOC(=O)c1ccccc1NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000017306686 557052321 /nfs/dbraw/zinc/05/23/21/557052321.db2.gz WTKUHGTUCVVJGQ-UHFFFAOYSA-N -1 3 449.492 3.429 50 0 IGAAHM CCNC(=O)[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000011411543 557144126 /nfs/dbraw/zinc/14/41/26/557144126.db2.gz RZGAMCPWSCAISW-NSHDSACASA-N -1 3 444.340 3.049 50 0 IGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000206791552 557163762 /nfs/dbraw/zinc/16/37/62/557163762.db2.gz HXXPYWFEAJLJLS-CYBMUJFWSA-N -1 3 435.855 3.320 50 0 IGAAHM CCOc1c(Br)cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1OC ZINC000024884675 557180851 /nfs/dbraw/zinc/18/08/51/557180851.db2.gz KETDDOCNELZILL-UHFFFAOYSA-N -1 3 443.319 3.480 50 0 IGAAHM CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000100740581 557274011 /nfs/dbraw/zinc/27/40/11/557274011.db2.gz LMTBZMZAEDRZTF-DOTOQJQBSA-N -1 3 432.263 3.291 50 0 IGAAHM Cc1c(Cl)cccc1N1C(=O)C[C@@H](N2CCC(C(=O)Nc3ccccc3[O-])CC2)C1=O ZINC000101490822 557288231 /nfs/dbraw/zinc/28/82/31/557288231.db2.gz IKEPVGAGSGLSGO-LJQANCHMSA-N -1 3 441.915 3.337 50 0 IGAAHM CCOc1cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Cl)c1[O-] ZINC000101658037 557293556 /nfs/dbraw/zinc/29/35/56/557293556.db2.gz YUFDZSTZCWMYML-SXGWCWSVSA-N -1 3 429.860 3.284 50 0 IGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cc(C)cc(C)c1N(CCc1ccccc1)C2=O ZINC000011666853 557301193 /nfs/dbraw/zinc/30/11/93/557301193.db2.gz LHJOUKITYDQGGO-QHCPKHFHSA-N -1 3 436.537 3.048 50 0 IGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(C)=O)cc1Br ZINC000024976522 557343206 /nfs/dbraw/zinc/34/32/06/557343206.db2.gz SUXZOFLAXJLDJH-UHFFFAOYSA-N -1 3 425.304 3.168 50 0 IGAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccc(F)c(F)c1)N1CCc2ccccc21 ZINC000051316790 557465773 /nfs/dbraw/zinc/46/57/73/557465773.db2.gz CXXXSZXLFBTASY-UHFFFAOYSA-N -1 3 439.447 3.068 50 0 IGAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccc(F)c(F)c1)N1CCc2ccccc21 ZINC000051316790 557465776 /nfs/dbraw/zinc/46/57/76/557465776.db2.gz CXXXSZXLFBTASY-UHFFFAOYSA-N -1 3 439.447 3.068 50 0 IGAAHM Cc1ccc(CNC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccc(F)c(F)c2)cc1 ZINC000051316823 557465848 /nfs/dbraw/zinc/46/58/48/557465848.db2.gz MHOBQJIMCHNYCL-UHFFFAOYSA-N -1 3 441.463 3.104 50 0 IGAAHM Cc1ccc(CNC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccc(F)c(F)c2)cc1 ZINC000051316823 557465852 /nfs/dbraw/zinc/46/58/52/557465852.db2.gz MHOBQJIMCHNYCL-UHFFFAOYSA-N -1 3 441.463 3.104 50 0 IGAAHM CN(C)c1ncn(-c2cccc([N-]S(=O)(=O)c3cc(Cl)c(N)c(Cl)c3)c2)n1 ZINC000225606087 557750644 /nfs/dbraw/zinc/75/06/44/557750644.db2.gz NFBDOQJHTAIKON-UHFFFAOYSA-N -1 3 427.317 3.023 50 0 IGAAHM O=C([O-])c1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1 ZINC000229960620 557834520 /nfs/dbraw/zinc/83/45/20/557834520.db2.gz JCOYCMOSSRINSX-PWRODBHTSA-N -1 3 430.416 3.142 50 0 IGAAHM CC(=O)c1ccc(-n2c3sc(C(=O)c4ccc(Cl)cc4)c(N)c3c(=O)[n-]c2=O)cc1 ZINC000002638281 562929016 /nfs/dbraw/zinc/92/90/16/562929016.db2.gz DUEYLRLCKYDRQC-UHFFFAOYSA-N -1 3 439.880 3.410 50 0 IGAAHM COc1ccc(-c2ccc(OCC[N-]S(=O)(=O)c3ccc(Cl)s3)nn2)cc1 ZINC000010324514 562978597 /nfs/dbraw/zinc/97/85/97/562978597.db2.gz HGOVUUAYAODLRZ-UHFFFAOYSA-N -1 3 425.919 3.224 50 0 IGAAHM CSCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NC1CCCC1 ZINC000015593197 568799211 /nfs/dbraw/zinc/79/92/11/568799211.db2.gz SCJHPHNWHOTJGX-AWEZNQCLSA-N -1 3 425.403 3.452 50 0 IGAAHM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3n2CCN2CCCCC2)cc1OC ZINC000032501754 568811538 /nfs/dbraw/zinc/81/15/38/568811538.db2.gz NHLRDBNLRMEICC-UHFFFAOYSA-N -1 3 444.557 3.340 50 0 IGAAHM CC[C@H](C)NC(=O)c1cnc2ccc(S(=O)(=O)N(C)c3cccc(C)c3)cc2c1[O-] ZINC000006296688 568882346 /nfs/dbraw/zinc/88/23/46/568882346.db2.gz QXFCZBCZKQIZGA-HNNXBMFYSA-N -1 3 427.526 3.190 50 0 IGAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)c(OC)c2)cc1 ZINC000245312361 568914838 /nfs/dbraw/zinc/91/48/38/568914838.db2.gz UVOPOOFLTDESHU-DNVJHFABSA-N -1 3 446.459 3.461 50 0 IGAAHM CCN1CCN(c2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)c(C(=O)[O-])c2)CC1 ZINC000064461998 568929613 /nfs/dbraw/zinc/92/96/13/568929613.db2.gz LSYQVCIGHYEEAO-UHFFFAOYSA-N -1 3 431.558 3.253 50 0 IGAAHM CCCc1ccc(S(=O)(=O)Nc2ccc(N3CCN(CC)CC3)cc2C(=O)[O-])cc1 ZINC000064461995 568929632 /nfs/dbraw/zinc/92/96/32/568929632.db2.gz GTBKWXVQNIAQBN-UHFFFAOYSA-N -1 3 431.558 3.280 50 0 IGAAHM CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(Cc4cccnc4)CC3)c2c1 ZINC000036357757 569084897 /nfs/dbraw/zinc/08/48/97/569084897.db2.gz QGDPERWLPUBJRQ-QFIPXVFZSA-N -1 3 435.528 3.101 50 0 IGAAHM CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])N1CCN(CCc2ccncc2)CC1 ZINC000036360033 569086571 /nfs/dbraw/zinc/08/65/71/569086571.db2.gz FHZYXPDLYVBKJJ-QHCPKHFHSA-N -1 3 449.555 3.143 50 0 IGAAHM COCCNC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000065074542 569099022 /nfs/dbraw/zinc/09/90/22/569099022.db2.gz ZSASDESTMHWTKN-UHFFFAOYSA-N -1 3 441.509 3.359 50 0 IGAAHM CCC(=O)N1CCc2sc(S(=O)(=O)[N-]Cc3cccc(Br)c3)cc2C1 ZINC000065196200 569115707 /nfs/dbraw/zinc/11/57/07/569115707.db2.gz HPBVWVUSWWFQIM-UHFFFAOYSA-N -1 3 443.388 3.284 50 0 IGAAHM O=C(NCc1ccc2c(c1)OCCCO2)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000170626266 569148580 /nfs/dbraw/zinc/14/85/80/569148580.db2.gz KQNOTRLLJZFZJQ-UHFFFAOYSA-N -1 3 429.270 3.382 50 0 IGAAHM CS(=O)(=O)N1CCC(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CC1 ZINC000013704684 569156699 /nfs/dbraw/zinc/15/66/99/569156699.db2.gz BPPHVCFLCSDRAX-UHFFFAOYSA-N -1 3 431.539 3.279 50 0 IGAAHM COc1ccccc1CNC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000014113418 569157817 /nfs/dbraw/zinc/15/78/17/569157817.db2.gz GVYGJIUJNMRNAE-HXUWFJFHSA-N -1 3 442.512 3.040 50 0 IGAAHM COc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccccc3OC)c(=O)[n-]2)cc1 ZINC000016954058 569167316 /nfs/dbraw/zinc/16/73/16/569167316.db2.gz ICWPBMLHZVVRKE-UHFFFAOYSA-N -1 3 437.481 3.269 50 0 IGAAHM COc1ccccc1-n1ncc2c1nc(SCC(=O)Nc1ccccc1F)[n-]c2=O ZINC000016974326 569168613 /nfs/dbraw/zinc/16/86/13/569168613.db2.gz ZCEFTKJQNSTHMA-UHFFFAOYSA-N -1 3 425.445 3.400 50 0 IGAAHM COc1ccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCc2cc(C)ccc2C)cc1 ZINC000017026174 569170998 /nfs/dbraw/zinc/17/09/98/569170998.db2.gz BQDZRFKCJBSRDK-UHFFFAOYSA-N -1 3 449.536 3.152 50 0 IGAAHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc2c(c1)OCO2 ZINC000008873933 569291818 /nfs/dbraw/zinc/29/18/18/569291818.db2.gz PUWPBQOTAFCZAY-ZDUSSCGKSA-N -1 3 432.281 3.305 50 0 IGAAHM O=C([O-])[C@@]1(NC(=O)COc2ccc(C(F)(F)F)cc2)CCCN(Cc2ccccc2)C1 ZINC000095464048 569370444 /nfs/dbraw/zinc/37/04/44/569370444.db2.gz BPZAJUBCVMKXNV-OAQYLSRUSA-N -1 3 436.430 3.320 50 0 IGAAHM COc1cc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)cc2c1OCO2 ZINC000096116941 569384026 /nfs/dbraw/zinc/38/40/26/569384026.db2.gz HDVPSPKJGKPLCU-KZULUSFZSA-N -1 3 447.513 3.231 50 0 IGAAHM O=C([N-]c1nnc(-c2ccccc2)o1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000002659935 569415905 /nfs/dbraw/zinc/41/59/05/569415905.db2.gz OTPAPJWNNSIPPT-UHFFFAOYSA-N -1 3 431.429 3.366 50 0 IGAAHM O=C([N-]c1nnc(C2CC2)s1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000003550729 569453874 /nfs/dbraw/zinc/45/38/74/569453874.db2.gz JECDJWVULQRNKC-UHFFFAOYSA-N -1 3 426.951 3.496 50 0 IGAAHM COc1c(C)cnc(CN2CCN([C@H](C(=O)[O-])c3c[nH]c4cc(F)ccc43)CC2)c1C ZINC000031807044 569457464 /nfs/dbraw/zinc/45/74/64/569457464.db2.gz FIZIXPYBAJUMRT-NRFANRHFSA-N -1 3 426.492 3.271 50 0 IGAAHM COc1cccc2c([C@H](C(=O)[O-])N3CCN(c4nc5ccccc5nc4C)CC3)c[nH]c21 ZINC000032095988 569459908 /nfs/dbraw/zinc/45/99/08/569459908.db2.gz ZGDWCLTXNBAODA-JOCHJYFZSA-N -1 3 431.496 3.376 50 0 IGAAHM C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H](C)c1ccccc1Br ZINC000040160969 569495109 /nfs/dbraw/zinc/49/51/09/569495109.db2.gz VWANFJRHEPRNCU-VXGBXAGGSA-N -1 3 429.311 3.132 50 0 IGAAHM CC(=O)c1[n-]n(-c2cccc(C)c2)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000009075326 569500246 /nfs/dbraw/zinc/50/02/46/569500246.db2.gz YPSNHKWROGBUBO-AEFFLSMTSA-N -1 3 426.270 3.081 50 0 IGAAHM O=C(Cc1ccccc1)N1CCC(c2nc3c(nnn3Cc3ccccc3F)c(=O)[n-]2)CC1 ZINC000009202226 569511223 /nfs/dbraw/zinc/51/12/23/569511223.db2.gz CMKJZNYLYIVEAM-UHFFFAOYSA-N -1 3 446.486 3.063 50 0 IGAAHM O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N1NC=C[C@@]1([O-])C(F)(F)F ZINC000009373658 569527159 /nfs/dbraw/zinc/52/71/59/569527159.db2.gz QFJILWCRMNCSEX-LJQANCHMSA-N -1 3 447.442 3.495 50 0 IGAAHM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3ncc(C(=O)NC4CCCCC4)c([O-])c3c2)C1 ZINC000009495412 569541041 /nfs/dbraw/zinc/54/10/41/569541041.db2.gz IPQPZHIQOIRXIY-HZPDHXFCSA-N -1 3 445.585 3.257 50 0 IGAAHM COc1ccc(-c2cc(NC(=O)CCn3[n-]c(=O)c4ccccc4c3=O)ccc2OC)cc1 ZINC000009580970 569549064 /nfs/dbraw/zinc/54/90/64/569549064.db2.gz COCIWZVNNNPIKZ-UHFFFAOYSA-N -1 3 445.475 3.403 50 0 IGAAHM O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000009692398 569561059 /nfs/dbraw/zinc/56/10/59/569561059.db2.gz FFPGIDFCJQXLKI-GOSISDBHSA-N -1 3 444.582 3.030 50 0 IGAAHM CCOc1ccc(-c2ccc(=O)n(CC[N-]S(=O)(=O)c3ccc(Cl)s3)n2)cc1 ZINC000009844807 569570967 /nfs/dbraw/zinc/57/09/67/569570967.db2.gz ZEOKTFBQKXZDFU-UHFFFAOYSA-N -1 3 439.946 3.002 50 0 IGAAHM CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c1csc2[N-]C(=O)c1snnc1C ZINC000077106672 569585637 /nfs/dbraw/zinc/58/56/37/569585637.db2.gz FCHUFXSLGRVSQI-UHFFFAOYSA-N -1 3 441.494 3.036 50 0 IGAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)N2CCCc4ccccc42)[n-]c3=O)cc1 ZINC000006492878 132277351 /nfs/dbraw/zinc/27/73/51/132277351.db2.gz SHNSGYDVGABRJA-UHFFFAOYSA-N -1 3 431.521 3.489 50 0 IGAAHM COc1cc(CN2CCN(c3ccccc3F)CC2)cc(I)c1[O-] ZINC000016662839 132357076 /nfs/dbraw/zinc/35/70/76/132357076.db2.gz YDRUGCSLOWYUCK-UHFFFAOYSA-N -1 3 442.272 3.467 50 0 IGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cc(C)ccc2OS(=O)(=O)c2ccc(C)cc2)S1 ZINC000020896326 519643687 /nfs/dbraw/zinc/64/36/87/519643687.db2.gz PDOQGRYBDJBGRM-IBGZPJMESA-N -1 3 447.538 3.072 50 0 IGAAHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000078935792 519816635 /nfs/dbraw/zinc/81/66/35/519816635.db2.gz MUJSGHBUQAUXJY-IBGZPJMESA-N -1 3 428.476 3.156 50 0 IGAAHM CCOc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCC(C(=O)OC)CC2)cc1 ZINC000022626327 521230022 /nfs/dbraw/zinc/23/00/22/521230022.db2.gz YNGSBCJEVPFPSO-KRWDZBQOSA-N -1 3 430.530 3.178 50 0 IGAAHM COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1C ZINC000012795368 521750008 /nfs/dbraw/zinc/75/00/08/521750008.db2.gz HWKISUAQUGJNOJ-OAHLLOKOSA-N -1 3 427.501 3.046 50 0 IGAAHM COc1cc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)ccc1OC(C)C ZINC000012816652 522068149 /nfs/dbraw/zinc/06/81/49/522068149.db2.gz WEOHTTWFXJXSCC-UHFFFAOYSA-N -1 3 438.571 3.127 50 0 IGAAHM COc1ccc(-c2nn3c(nnc3SCC(=O)Nc3ccc(C)c(C)c3)[n-]c2=O)cc1 ZINC000022720561 523249806 /nfs/dbraw/zinc/24/98/06/523249806.db2.gz PZFSBYOZYMZUFQ-UHFFFAOYSA-N -1 3 436.497 3.248 50 0 IGAAHM COc1ccccc1-n1ncc2c1nc(SCC(=O)N1CCCc3ccccc31)[n-]c2=O ZINC000021716225 524308800 /nfs/dbraw/zinc/30/88/00/524308800.db2.gz LKMRLCPMWHOZQU-UHFFFAOYSA-N -1 3 447.520 3.189 50 0 IGAAHM COc1ccc(OCCOc2ccc(C)cc2[C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)cc1 ZINC000020896345 524963602 /nfs/dbraw/zinc/96/36/02/524963602.db2.gz LCGHZEIGQRUIMR-NRFANRHFSA-N -1 3 443.525 3.462 50 0 IGAAHM Cc1cc([N-]C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)on1 ZINC000012171192 525150330 /nfs/dbraw/zinc/15/03/30/525150330.db2.gz APYWBJIQJPLSJV-UHFFFAOYSA-N -1 3 439.811 3.233 50 0 IGAAHM Cc1cc(-c2csc([N-]C(=O)c3nc4nccc(C)n4n3)n2)c(C)n1C[C@H]1CCCO1 ZINC000012798674 526050753 /nfs/dbraw/zinc/05/07/53/526050753.db2.gz GOUKBHQFEQFQTH-OAHLLOKOSA-N -1 3 437.529 3.406 50 0 IGAAHM CSc1ccccc1NC(=O)[C@@H](C)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000012854129 526173786 /nfs/dbraw/zinc/17/37/86/526173786.db2.gz LHAYUBJYLQZEPD-CQSZACIVSA-N -1 3 439.628 3.240 50 0 IGAAHM O=C(c1nnc(-c2csc(S(=O)(=O)[N-]CCC3=CCCCC3)c2)o1)N1CCCC1 ZINC000035527632 526929149 /nfs/dbraw/zinc/92/91/49/526929149.db2.gz XTPMWXOMIUZWRD-UHFFFAOYSA-N -1 3 436.559 3.203 50 0 IGAAHM CCOC(=O)c1ccc(N2C(=O)C[C@H](Sc3nnc(-c4ccccc4[O-])o3)C2=O)cc1 ZINC000000937903 555586265 /nfs/dbraw/zinc/58/62/65/555586265.db2.gz DOIQLQNYNDXUAT-INIZCTEOSA-N -1 3 439.449 3.043 50 0 IGAAHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccccn3)cc2)c1 ZINC000001072727 555621832 /nfs/dbraw/zinc/62/18/32/555621832.db2.gz PLPDFBQALBTBGC-UHFFFAOYSA-N -1 3 425.510 3.194 50 0 IGAAHM CN1OC[C@@H](S(=O)(=O)[N-]Cc2cccnc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000034739119 555891195 /nfs/dbraw/zinc/89/11/95/555891195.db2.gz KANYXQAGRQVMFE-PKTZIBPZSA-N -1 3 439.537 3.067 50 0 IGAAHM Cc1ccc(N2C(=O)c3ccc(C(=O)[N-]N4C(=O)c5ccccc5C4=O)cc3C2=O)c(C)c1 ZINC000010060523 556324733 /nfs/dbraw/zinc/32/47/33/556324733.db2.gz DDGNVKYIQOCWMQ-UHFFFAOYSA-N -1 3 439.427 3.045 50 0 IGAAHM Cc1nc2cc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]4CCCO4)c3)ccc2o1 ZINC000014242395 556402901 /nfs/dbraw/zinc/40/29/01/556402901.db2.gz BJLNQQPOZARRLZ-HNNXBMFYSA-N -1 3 449.916 3.499 50 0 IGAAHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000014370787 556414977 /nfs/dbraw/zinc/41/49/77/556414977.db2.gz XFVPWWHWDQCZSG-UHFFFAOYSA-N -1 3 426.542 3.061 50 0 IGAAHM COC(=O)c1cc(Br)ccc1S(=O)(=O)[N-]C12CC3CC(CC(C3)C1)C2 ZINC000013135234 556483500 /nfs/dbraw/zinc/48/35/00/556483500.db2.gz CMGKODOHCFNUSV-UHFFFAOYSA-N -1 3 428.348 3.483 50 0 IGAAHM COc1ccccc1[C@@H](C)NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000032719030 556520619 /nfs/dbraw/zinc/52/06/19/556520619.db2.gz HMAZWNNXTKJDDI-CQSZACIVSA-N -1 3 435.509 3.087 50 0 IGAAHM COc1ccccc1[C@H](C)NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000032719031 556520668 /nfs/dbraw/zinc/52/06/68/556520668.db2.gz HMAZWNNXTKJDDI-AWEZNQCLSA-N -1 3 435.509 3.087 50 0 IGAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCCOC)CC3)cc2)cc1 ZINC000033274727 556559217 /nfs/dbraw/zinc/55/92/17/556559217.db2.gz MTXPJPBHNILTEL-UHFFFAOYSA-N -1 3 432.542 3.070 50 0 IGAAHM CC(C)(C)c1nn2c(nnc2SCC(=O)Nc2ccc(Br)cc2)[n-]c1=O ZINC000015882092 556561327 /nfs/dbraw/zinc/56/13/27/556561327.db2.gz DCBCPLICVBPEHF-UHFFFAOYSA-N -1 3 437.323 3.016 50 0 IGAAHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000016527076 556614422 /nfs/dbraw/zinc/61/44/22/556614422.db2.gz HKLDHXHCYBEDSL-UHFFFAOYSA-N -1 3 427.448 3.039 50 0 IGAAHM O=C(NCCCc1nc2ccccc2[nH]1)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000011760841 556653959 /nfs/dbraw/zinc/65/39/59/556653959.db2.gz PQHLTWWCMDMJLM-UHFFFAOYSA-N -1 3 432.933 3.020 50 0 IGAAHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CCN1CCCC[C@H]1C ZINC000032929488 556671915 /nfs/dbraw/zinc/67/19/15/556671915.db2.gz RTPRLAZCOZOHTI-LLVKDONJSA-N -1 3 425.776 3.264 50 0 IGAAHM CCCCN(CC)C(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000033033017 556713494 /nfs/dbraw/zinc/71/34/94/556713494.db2.gz OYHIZWDCFSXXRN-UHFFFAOYSA-N -1 3 444.601 3.159 50 0 IGAAHM Cc1cccc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(N4CCOCC4)n3)cc2)c1 ZINC000033078185 556853216 /nfs/dbraw/zinc/85/32/16/556853216.db2.gz ZNEYAMHENFHYHG-UHFFFAOYSA-N -1 3 439.541 3.474 50 0 IGAAHM CS(=O)(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(OC4CCCC4)cc3)cc21 ZINC000019819458 556922919 /nfs/dbraw/zinc/92/29/19/556922919.db2.gz XPAPXXIUFLYIGC-UHFFFAOYSA-N -1 3 436.555 3.131 50 0 IGAAHM CC(C)(C)c1ccc(S(=O)(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000010680189 557000593 /nfs/dbraw/zinc/00/05/93/557000593.db2.gz SXHBVDRFMXLMMY-UHFFFAOYSA-N -1 3 442.628 3.177 50 0 IGAAHM CS(=O)(=O)[N-]c1cc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)ccc1F ZINC000023055297 557060765 /nfs/dbraw/zinc/06/07/65/557060765.db2.gz HQWIVTARSZRAOO-UHFFFAOYSA-N -1 3 432.452 3.263 50 0 IGAAHM Cc1cc(-c2csc(S(=O)(=O)[N-]CCCN3CCN(c4ccccc4)CC3)c2)on1 ZINC000033290267 557068599 /nfs/dbraw/zinc/06/85/99/557068599.db2.gz HLBUFOURBVXSCM-UHFFFAOYSA-N -1 3 446.598 3.202 50 0 IGAAHM CS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)Cc3c(F)cccc3Cl)cc2s1 ZINC000033299006 557074998 /nfs/dbraw/zinc/07/49/98/557074998.db2.gz AINFWZYTFOAJHY-UHFFFAOYSA-N -1 3 434.923 3.434 50 0 IGAAHM Cc1onc(-c2ccccc2)c1C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011449693 557148964 /nfs/dbraw/zinc/14/89/64/557148964.db2.gz RYSNMNUVLUHIIN-UHFFFAOYSA-N -1 3 431.539 3.295 50 0 IGAAHM CCOC(=O)[C@@]([O-])(c1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1)C(F)(F)F ZINC000003158284 557168176 /nfs/dbraw/zinc/16/81/76/557168176.db2.gz CLMXYXFIHZKJIG-SFHVURJKSA-N -1 3 431.432 3.215 50 0 IGAAHM O=c1c(CN2CCc3ccccc3C2)coc([O-])c1CN1CCO[C@H](c2ccccc2)C1 ZINC000101373812 557280754 /nfs/dbraw/zinc/28/07/54/557280754.db2.gz LJHPLKSUIBPCBF-DEOSSOPVSA-N -1 3 432.520 3.477 50 0 IGAAHM O=c1occ(CN2CCc3ccccc3C2)c([O-])c1CN1CCO[C@H](c2ccccc2)C1 ZINC000101373812 557280758 /nfs/dbraw/zinc/28/07/58/557280758.db2.gz LJHPLKSUIBPCBF-DEOSSOPVSA-N -1 3 432.520 3.477 50 0 IGAAHM COc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccccc1C(=O)[O-] ZINC000102762439 557385215 /nfs/dbraw/zinc/38/52/15/557385215.db2.gz PFENJNKAHWXPSP-FDFHNCONSA-N -1 3 444.443 3.445 50 0 IGAAHM COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccccc3C(=O)[O-])[C@@H]2C1=O ZINC000102762439 557385217 /nfs/dbraw/zinc/38/52/17/557385217.db2.gz PFENJNKAHWXPSP-FDFHNCONSA-N -1 3 444.443 3.445 50 0 IGAAHM COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccccc3C(=O)[O-])[C@H]2C1=O ZINC000102762441 557385715 /nfs/dbraw/zinc/38/57/15/557385715.db2.gz PFENJNKAHWXPSP-BHIFYINESA-N -1 3 444.443 3.445 50 0 IGAAHM CN1OC[C@H](S(=O)(=O)[N-]Cc2cccnc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000105049901 557473948 /nfs/dbraw/zinc/47/39/48/557473948.db2.gz KANYXQAGRQVMFE-GOTSBHOMSA-N -1 3 439.537 3.067 50 0 IGAAHM COc1cccc(-c2nc(CSc3nc4c(nc(C)[n-]c4=O)n3C)c(C)o2)c1OC ZINC000019625892 560094109 /nfs/dbraw/zinc/09/41/09/560094109.db2.gz XQSRBHJKYQWLRM-UHFFFAOYSA-N -1 3 427.486 3.238 50 0 biogenic,in-vitro IGAAHM COc1ccccc1CNC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1ccco1 ZINC000002938666 562930915 /nfs/dbraw/zinc/93/09/15/562930915.db2.gz VCLUAHWCSHSXTB-IBGZPJMESA-N -1 3 428.510 3.323 50 0 IGAAHM COc1ccc2nc(NC(=O)[C@@H]([N-]S(=O)(=O)c3cccs3)C(C)C)sc2c1 ZINC000004035307 562941038 /nfs/dbraw/zinc/94/10/38/562941038.db2.gz HGOOYRMIPRDGGV-HNNXBMFYSA-N -1 3 425.557 3.308 50 0 IGAAHM C[C@H](OC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000084037509 568790115 /nfs/dbraw/zinc/79/01/15/568790115.db2.gz AXAZOMHSJHKDMP-BSEYFRJRSA-N -1 3 437.496 3.223 50 0 IGAAHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)s2)[C@@H]1C ZINC000015720787 568811717 /nfs/dbraw/zinc/81/17/17/568811717.db2.gz WDUHAFHDGZKMDW-XJKCOSOUSA-N -1 3 433.555 3.042 50 0 IGAAHM CC(=O)c1cccc(NC(=O)CSc2nc(-c3ccccc3C)nc3cc(=O)[n-]n32)c1 ZINC000015732607 568815678 /nfs/dbraw/zinc/81/56/78/568815678.db2.gz AIYAWHWQRTUHHV-UHFFFAOYSA-N -1 3 433.493 3.326 50 0 IGAAHM Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc3ncc(C(=O)NC(C)C)c([O-])c3c2)c1 ZINC000006181320 568867976 /nfs/dbraw/zinc/86/79/76/568867976.db2.gz QOBXICORWFDWKZ-UHFFFAOYSA-N -1 3 427.526 3.108 50 0 IGAAHM NS(=O)(=O)c1ccc(OCCSc2nnc([N-]c3ccccc3F)s2)cc1 ZINC000027024958 568939237 /nfs/dbraw/zinc/93/92/37/568939237.db2.gz SNEUVZRJIBORCS-UHFFFAOYSA-N -1 3 426.520 3.239 50 0 IGAAHM CCc1c(C(=O)OC)sc2[n-]c(CN(C[C@H](O)c3ccccc3)C3CC3)nc(=O)c12 ZINC000036206737 568972744 /nfs/dbraw/zinc/97/27/44/568972744.db2.gz PLSATSYXQFQXIX-INIZCTEOSA-N -1 3 427.526 3.032 50 0 IGAAHM Cc1nc(Cn2c3ccc(S(=O)(=O)[N-]c4ccc(C)cc4Cl)cc3oc2=O)no1 ZINC000064946849 568993915 /nfs/dbraw/zinc/99/39/15/568993915.db2.gz YDCSKIPSXKAJHT-UHFFFAOYSA-N -1 3 434.861 3.097 50 0 IGAAHM CCOCCC[N-]S(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCCC3)s2)cs1 ZINC000065116999 569107442 /nfs/dbraw/zinc/10/74/42/569107442.db2.gz HMASBCDELXCXRO-UHFFFAOYSA-N -1 3 443.616 3.121 50 0 IGAAHM Cc1nc2ncnn2c(C)c1CCC(=O)Nc1nnc(SCc2ccc(Cl)cc2)[n-]1 ZINC000013128846 569125293 /nfs/dbraw/zinc/12/52/93/569125293.db2.gz DOOQBRZXDMQALX-UHFFFAOYSA-N -1 3 442.936 3.376 50 0 IGAAHM Cc1nc2ncnn2c(C)c1CCC(=O)Nc1nc(SCc2ccc(Cl)cc2)n[n-]1 ZINC000013128846 569125294 /nfs/dbraw/zinc/12/52/94/569125294.db2.gz DOOQBRZXDMQALX-UHFFFAOYSA-N -1 3 442.936 3.376 50 0 IGAAHM Cc1nc2ncnn2c(C)c1CCC(=O)Nc1n[n-]c(SCc2ccc(Cl)cc2)n1 ZINC000013128846 569125295 /nfs/dbraw/zinc/12/52/95/569125295.db2.gz DOOQBRZXDMQALX-UHFFFAOYSA-N -1 3 442.936 3.376 50 0 IGAAHM Cc1oc(C[N-]S(=O)(=O)c2cccc(Cl)c2C)nc1C(=O)N1CCC(C)CC1 ZINC000065293839 569131083 /nfs/dbraw/zinc/13/10/83/569131083.db2.gz JMNJTTNNXQVCBN-UHFFFAOYSA-N -1 3 425.938 3.295 50 0 IGAAHM O=S(=O)([N-]C[C@](O)(c1ccoc1)c1cccs1)c1ccc(Br)s1 ZINC000240068173 569140607 /nfs/dbraw/zinc/14/06/07/569140607.db2.gz SLTQDFFWDLQYCH-AWEZNQCLSA-N -1 3 434.358 3.380 50 0 IGAAHM O=C(NCc1ccccc1Cn1cccn1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000170626249 569148661 /nfs/dbraw/zinc/14/86/61/569148661.db2.gz VQOLIEPUXYYBEH-UHFFFAOYSA-N -1 3 437.297 3.465 50 0 IGAAHM COc1cccc(NC(=O)C[C@@H](CN2CCN(c3cccc(Cl)c3)CC2)C(=O)[O-])c1 ZINC000071283415 569150632 /nfs/dbraw/zinc/15/06/32/569150632.db2.gz JIXAECQZARWEBN-INIZCTEOSA-N -1 3 431.920 3.200 50 0 IGAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCN(C4CC4)CC3)cc2)c1 ZINC000014528499 569159392 /nfs/dbraw/zinc/15/93/92/569159392.db2.gz QHLLRNGGAAHQFE-UHFFFAOYSA-N -1 3 427.570 3.461 50 0 IGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(N4CCOCC4)n3)cc2)cc1 ZINC000017050991 569171771 /nfs/dbraw/zinc/17/17/71/569171771.db2.gz MGDKCAZIDWMGBX-UHFFFAOYSA-N -1 3 439.541 3.474 50 0 IGAAHM COC(=O)c1ccccc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000001079315 569176710 /nfs/dbraw/zinc/17/67/10/569176710.db2.gz SPZZEPBULDKLFY-SNVBAGLBSA-N -1 3 431.297 3.086 50 0 IGAAHM COC(=O)c1ccccc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000001079313 569176726 /nfs/dbraw/zinc/17/67/26/569176726.db2.gz SPZZEPBULDKLFY-JTQLQIEISA-N -1 3 431.297 3.086 50 0 IGAAHM COC(=O)C[C@@H](c1ccnn1C)c1oc(CSc2ccccc2OC)cc(=O)c1[O-] ZINC000095478352 569373557 /nfs/dbraw/zinc/37/35/57/569373557.db2.gz WQHRWORMPYOHLB-AWEZNQCLSA-N -1 3 430.482 3.075 50 0 IGAAHM COC(=O)C[C@@H](c1cnn(C)c1)c1oc(CSc2ccccc2OC)cc(=O)c1[O-] ZINC000095479771 569373800 /nfs/dbraw/zinc/37/38/00/569373800.db2.gz GMWCUTWZMOFNQS-HNNXBMFYSA-N -1 3 430.482 3.075 50 0 IGAAHM CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)CC1 ZINC000003354643 569447527 /nfs/dbraw/zinc/44/75/27/569447527.db2.gz JLATYYNHNHYYFU-UHFFFAOYSA-N -1 3 428.341 3.182 50 0 IGAAHM CC(C)Cn1c(=O)[n-]c(=O)c2c(C(=O)N3CCc4sccc4C3)cc(C(C)C)nc21 ZINC000032460126 569461825 /nfs/dbraw/zinc/46/18/25/569461825.db2.gz DJMBLXJOCLRGCX-UHFFFAOYSA-N -1 3 426.542 3.124 50 0 IGAAHM O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000008774319 569475362 /nfs/dbraw/zinc/47/53/62/569475362.db2.gz DOWAWTQMVNCLKG-UHFFFAOYSA-N -1 3 433.917 3.160 50 0 IGAAHM COc1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)NC3CC3)c(Cl)cc2Cl)cc1 ZINC000068927221 569482861 /nfs/dbraw/zinc/48/28/61/569482861.db2.gz CKCVNVOGFBTHAS-UHFFFAOYSA-N -1 3 443.352 3.415 50 0 IGAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1cccc(Br)c1 ZINC000009528476 569544738 /nfs/dbraw/zinc/54/47/38/569544738.db2.gz BQOGXWJTLWSPGI-OAHLLOKOSA-N -1 3 431.377 3.130 50 0 IGAAHM CC(=O)N1c2cc(S(=O)(=O)[N-]Cc3ccc(F)cc3)c(Br)cc2C[C@@H]1C ZINC000040450676 569506397 /nfs/dbraw/zinc/50/63/97/569506397.db2.gz CSSNXFXARBZCOM-NSHDSACASA-N -1 3 441.322 3.364 50 0 IGAAHM CC(=O)N1c2cc(S(=O)(=O)[N-]CCc3ccccc3)c(Br)cc2C[C@@H]1C ZINC000040450662 569506407 /nfs/dbraw/zinc/50/64/07/569506407.db2.gz FXMVMPDQBBDXFJ-ZDUSSCGKSA-N -1 3 437.359 3.268 50 0 IGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(CCN3C(=O)c4cccnc4C3=O)cc2)c(C)c1 ZINC000009153155 569507968 /nfs/dbraw/zinc/50/79/68/569507968.db2.gz HCYQQXPQYGJGBK-UHFFFAOYSA-N -1 3 435.505 3.338 50 0 IGAAHM O=c1cc(Cc2nnc(SC/C=C/c3ccccc3)n2-c2ccc(F)cc2)[nH]c(=O)[n-]1 ZINC000009382023 569528174 /nfs/dbraw/zinc/52/81/74/569528174.db2.gz VJKSZWPOLZMDKS-QPJJXVBHSA-N -1 3 435.484 3.179 50 0 IGAAHM COc1ccc(NC(=O)[C@@H](CCSC)[N-]S(=O)(=O)c2cccs2)cc1Cl ZINC000009559452 569546960 /nfs/dbraw/zinc/54/69/60/569546960.db2.gz XVKPNSPETSYDCZ-CYBMUJFWSA-N -1 3 434.992 3.449 50 0 IGAAHM Cc1cc2oc(=O)cc(COC(=O)C[N-]S(=O)(=O)c3ccccc3F)c2cc1C(C)C ZINC000009585106 569549510 /nfs/dbraw/zinc/54/95/10/569549510.db2.gz NYROZVAURLUYNI-UHFFFAOYSA-N -1 3 447.484 3.386 50 0 IGAAHM COc1ccc([C@]2(C)[N-]C(=O)N(Cc3c(F)c(F)c(F)c(F)c3F)C2=O)cc1OC ZINC000009606153 569551905 /nfs/dbraw/zinc/55/19/05/569551905.db2.gz CUTYFAPPAJMQDX-IBGZPJMESA-N -1 3 430.329 3.367 50 0 IGAAHM CCOC(=O)c1sc2[n-]c([C@H](C)Sc3nc4nc(C)cc(C)n4n3)nc(=O)c2c1C ZINC000009639704 569555233 /nfs/dbraw/zinc/55/52/33/569555233.db2.gz POEJQFHOZGZPMF-NSHDSACASA-N -1 3 444.542 3.378 50 0 IGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cccc(Cl)c1N(Cc1ccccc1)C2=O ZINC000009872373 569572448 /nfs/dbraw/zinc/57/24/48/569572448.db2.gz PCXJOXPCFAIBOK-HXUWFJFHSA-N -1 3 428.901 3.042 50 0 IGAAHM O=C(NCCc1cn2ccccc2n1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000010355967 569581413 /nfs/dbraw/zinc/58/14/13/569581413.db2.gz NCGRQMGMJIVISO-UHFFFAOYSA-N -1 3 438.484 3.247 50 0 IGAAHM CN(C)CCNC(=O)c1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)sc2c1 ZINC000013720032 569582898 /nfs/dbraw/zinc/58/28/98/569582898.db2.gz KTTOOMIXBIWWCB-UHFFFAOYSA-N -1 3 438.962 3.042 50 0 IGAAHM Cc1ccc(Cl)cc1N1CCN(C(=O)CCC[N-]S(=O)(=O)c2cccs2)CC1 ZINC000004734520 132273195 /nfs/dbraw/zinc/27/31/95/132273195.db2.gz KGNBYANHKQORHF-UHFFFAOYSA-N -1 3 442.006 3.117 50 0 IGAAHM Cc1cc(C)c(N2C(=O)[N-]C(=O)[C@@]3(Cc4ccccc4N4CCN(C)C[C@@H]43)C2=O)c(C)c1 ZINC000008971934 132299279 /nfs/dbraw/zinc/29/92/79/132299279.db2.gz CWXZDUSVXLAMMQ-NLFFAJNJSA-N -1 3 432.524 3.398 50 0 IGAAHM CC(=O)c1ccc(NC(=O)CSc2nc3c(nc[n-]c3=O)n2-c2ccc(C)cc2)cc1 ZINC000012462120 518362752 /nfs/dbraw/zinc/36/27/52/518362752.db2.gz QTZHNNMDOCHFGV-UHFFFAOYSA-N -1 3 433.493 3.351 50 0 biogenic,in-vitro IGAAHM CCCCCC(=O)N1CCN(c2nc(CN(CC)Cc3ccccc3)cc(=O)[n-]2)CC1 ZINC000035926510 519926095 /nfs/dbraw/zinc/92/60/95/519926095.db2.gz AXNDWEGOKYAODL-UHFFFAOYSA-N -1 3 425.577 3.021 50 0 IGAAHM CCOc1ccc(-c2nc(CSc3nc4c(nc[n-]c4=O)n3C)c(C)o2)cc1OC ZINC000012412098 520817924 /nfs/dbraw/zinc/81/79/24/520817924.db2.gz BEGBNXSTFAFESI-UHFFFAOYSA-N -1 3 427.486 3.320 50 0 biogenic,in-vitro IGAAHM CCOC(=O)c1c(C)nn(-c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2)c1C ZINC000012369097 521399927 /nfs/dbraw/zinc/39/99/27/521399927.db2.gz AZDFGUTUNVQFTL-UHFFFAOYSA-N -1 3 429.498 3.475 50 0 IGAAHM CCCN1C(=O)[C@@]([N-]S(=O)(=O)c2ccc(C)cc2)(C(F)(F)F)N=C1c1ccccc1 ZINC000012411092 521700907 /nfs/dbraw/zinc/70/09/07/521700907.db2.gz NRLAWDIXJGENSJ-LJQANCHMSA-N -1 3 439.459 3.231 50 0 IGAAHM CN(C)[C@@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1ccco1 ZINC000012525965 522022012 /nfs/dbraw/zinc/02/20/12/522022012.db2.gz VCCHOLYAFVWLHQ-IBGZPJMESA-N -1 3 431.489 3.252 50 0 IGAAHM COc1cc(OC)c(NC(=O)[C@H]([N-]S(=O)(=O)c2cccs2)C(C)C)cc1Cl ZINC000021052037 522809013 /nfs/dbraw/zinc/80/90/13/522809013.db2.gz BLZVSIGTMWMUSE-MRXNPFEDSA-N -1 3 432.951 3.360 50 0 IGAAHM COc1cc([C@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OCCOc1ccc(C)cc1 ZINC000020895368 522967273 /nfs/dbraw/zinc/96/72/73/522967273.db2.gz UAAJCEKZLWEHKX-OAQYLSRUSA-N -1 3 443.525 3.462 50 0 IGAAHM Cc1ccc(-n2c(SCC(=O)N3CCCc4ccccc43)nc3c2nc[n-]c3=O)cc1 ZINC000012462109 525897203 /nfs/dbraw/zinc/89/72/03/525897203.db2.gz DFLVMUQOXCEBDN-UHFFFAOYSA-N -1 3 431.521 3.489 50 0 biogenic,in-vitro IGAAHM COc1cccc(CN2CCc3nc(SCC(=O)Nc4ccccc4)[n-]c(=O)c3C2)c1 ZINC000020467822 525955214 /nfs/dbraw/zinc/95/52/14/525955214.db2.gz XQLIWGJTOYBNLF-UHFFFAOYSA-N -1 3 436.537 3.480 50 0 IGAAHM Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)[N-]C3CCCC3)c1)NC(=O)CCC2=O ZINC000033276558 526310380 /nfs/dbraw/zinc/31/03/80/526310380.db2.gz XDZXAJDVUBRUQW-UHFFFAOYSA-N -1 3 436.921 3.105 50 0 IGAAHM Cc1csc(C(=O)[N-]c2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)s2)c1 ZINC000042379266 526318677 /nfs/dbraw/zinc/31/86/77/526318677.db2.gz SLMQUNCRHZYAEM-UHFFFAOYSA-N -1 3 448.551 3.298 50 0 IGAAHM O=C1Nc2ccccc2[C@@]12C(=C([O-])c1ccco1)[C@]1(C(=O)Nc3ccccc31)[C@@H]1CCCN12 ZINC000035361869 526832283 /nfs/dbraw/zinc/83/22/83/526832283.db2.gz NITGRXBPJYEFEH-QZGNXELUSA-N -1 3 439.471 3.294 50 0 IGAAHM O=C([N-]c1nnc(SCc2cc(=O)n3nc(C4CC4)sc3n2)s1)c1cccs1 ZINC000020983877 527535926 /nfs/dbraw/zinc/53/59/26/527535926.db2.gz GVAYZUJHISEWED-UHFFFAOYSA-N -1 3 448.580 3.486 50 0 IGAAHM CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000013691573 556281212 /nfs/dbraw/zinc/28/12/12/556281212.db2.gz FQWUUHOOAZMTSD-UHFFFAOYSA-N -1 3 431.901 3.047 50 0 IGAAHM CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cnc2c(Cl)cccc2c1[O-] ZINC000013691573 556281216 /nfs/dbraw/zinc/28/12/16/556281216.db2.gz FQWUUHOOAZMTSD-UHFFFAOYSA-N -1 3 431.901 3.047 50 0 IGAAHM CCOc1cc(Br)c(CC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1OCC ZINC000032747895 556316555 /nfs/dbraw/zinc/31/65/55/556316555.db2.gz FIHQELHUVWNYAE-UHFFFAOYSA-N -1 3 447.285 3.311 50 0 IGAAHM COc1ccc([C@H]2c3cc(OC)c(OC)cc3CC(=O)N2NC(=O)c2ccccc2[O-])cc1 ZINC000013895361 556328882 /nfs/dbraw/zinc/32/88/82/556328882.db2.gz HZXFEVMHHNIESS-DEOSSOPVSA-N -1 3 448.475 3.237 50 0 IGAAHM COc1ccccc1CNC(=O)[C@H](C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000032774478 556336571 /nfs/dbraw/zinc/33/65/71/556336571.db2.gz DQPJFMDIZSEJSV-AWEZNQCLSA-N -1 3 435.509 3.327 50 0 IGAAHM CCCS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2nc3ccc(OC)cc3s2)n1 ZINC000012062482 556395521 /nfs/dbraw/zinc/39/55/21/556395521.db2.gz XBXFDMDVNHPYEJ-UHFFFAOYSA-N -1 3 426.907 3.184 50 0 IGAAHM O=C(COc1cccc(Br)c1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000032820903 556412454 /nfs/dbraw/zinc/41/24/54/556412454.db2.gz KDXXSNMHICFJHN-UHFFFAOYSA-N -1 3 433.302 3.411 50 0 IGAAHM CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Cl)c1[O-] ZINC000015013371 556484174 /nfs/dbraw/zinc/48/41/74/556484174.db2.gz YUFDZSTZCWMYML-CXUHLZMHSA-N -1 3 429.860 3.284 50 0 IGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1ccccc1N(Cc1ccc(Cl)cc1)C2=O ZINC000015084623 556501903 /nfs/dbraw/zinc/50/19/03/556501903.db2.gz YQOFVCALUJQELH-FQEVSTJZSA-N -1 3 428.901 3.042 50 0 IGAAHM O=C(Nc1cc(F)ccc1[O-])[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 ZINC000559815252 556517985 /nfs/dbraw/zinc/51/79/85/556517985.db2.gz URTZPHKDOIWZHH-HXUWFJFHSA-N -1 3 444.459 3.425 50 0 IGAAHM COc1ccc(-c2ccnc(SCC(=O)N3NC(C)=C[C@]3([O-])C(F)(F)F)n2)cc1 ZINC000013642555 556542986 /nfs/dbraw/zinc/54/29/86/556542986.db2.gz OLRANQCEZDIROC-KRWDZBQOSA-N -1 3 426.420 3.103 50 0 IGAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC[C@@H]4CCCO4)CC3)cc2)cc1 ZINC000033115313 556555002 /nfs/dbraw/zinc/55/50/02/556555002.db2.gz DDJFXTSDLKXLMK-FQEVSTJZSA-N -1 3 444.553 3.213 50 0 IGAAHM Cc1ccc(Cc2nn3c(nnc3SCC(=O)Nc3ccc(C)c(C)c3)[n-]c2=O)cc1 ZINC000015882067 556561313 /nfs/dbraw/zinc/56/13/13/556561313.db2.gz GHGRSKSZWQJKRQ-UHFFFAOYSA-N -1 3 434.525 3.472 50 0 IGAAHM C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000016046418 556580166 /nfs/dbraw/zinc/58/01/66/556580166.db2.gz MFVZLYXIBMYOIG-CYBMUJFWSA-N -1 3 449.492 3.047 50 0 IGAAHM CS(=O)(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000032913163 556587522 /nfs/dbraw/zinc/58/75/22/556587522.db2.gz VAFJVYCOFWQJGF-UHFFFAOYSA-N -1 3 439.740 3.275 50 0 IGAAHM Cc1ccc2nc(COC(=O)CC[N-]S(=O)(=O)c3c(Cl)cccc3Cl)cn2c1 ZINC000016697004 556628865 /nfs/dbraw/zinc/62/88/65/556628865.db2.gz MNQDUSWYIPIQAA-UHFFFAOYSA-N -1 3 442.324 3.361 50 0 IGAAHM COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000039500362 556629595 /nfs/dbraw/zinc/62/95/95/556629595.db2.gz OSGIGDYJFGLCEO-UHFFFAOYSA-N -1 3 448.947 3.474 50 0 IGAAHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1c(C)cc(N2C(=O)CCS2(=O)=O)cc1C ZINC000011904786 556670603 /nfs/dbraw/zinc/67/06/03/556670603.db2.gz FAGBICNHEGCGJI-UHFFFAOYSA-N -1 3 442.946 3.133 50 0 IGAAHM O=C(c1ccccc1[O-])N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000017187052 556672337 /nfs/dbraw/zinc/67/23/37/556672337.db2.gz ZHLXBWMQNIBMGR-UHFFFAOYSA-N -1 3 448.850 3.211 50 0 IGAAHM CCCCn1nc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)ccc1=O ZINC000033028263 556708660 /nfs/dbraw/zinc/70/86/60/556708660.db2.gz PAJCHZQABWHFBM-UHFFFAOYSA-N -1 3 444.488 3.236 50 0 IGAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1Br)CC(=O)N2 ZINC000046074043 557030329 /nfs/dbraw/zinc/03/03/29/557030329.db2.gz HGIBTCGFNUEAHP-VIFPVBQESA-N -1 3 437.319 3.099 50 0 IGAAHM Cc1cc(CN2CCN(Cc3nc(=O)c4c(-c5cccs5)csc4[n-]3)CC2)on1 ZINC000023256958 557079507 /nfs/dbraw/zinc/07/95/07/557079507.db2.gz HJUANIPVHOPLJP-UHFFFAOYSA-N -1 3 427.555 3.327 50 0 IGAAHM C[C@H](Sc1nc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C1CC1)C(=O)NC1CCCCC1 ZINC000023561759 557098698 /nfs/dbraw/zinc/09/86/98/557098698.db2.gz ATCVGCDDHJMXHO-NSHDSACASA-N -1 3 429.546 3.034 50 0 IGAAHM C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011451056 557149495 /nfs/dbraw/zinc/14/94/95/557149495.db2.gz WIHXAHFWEFHKCN-ZDUSSCGKSA-N -1 3 428.963 3.138 50 0 IGAAHM CCOC(=O)[C@]([O-])(c1ccc(N(CC)C(=O)COc2ccccc2)cc1)C(F)(F)F ZINC000003158289 557168057 /nfs/dbraw/zinc/16/80/57/557168057.db2.gz KJRPJDDBJUKQSP-HXUWFJFHSA-N -1 3 425.403 3.432 50 0 IGAAHM CCOC(=O)[C@@]([O-])(c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)C(F)(F)F ZINC000003158286 557168195 /nfs/dbraw/zinc/16/81/95/557168195.db2.gz AMQJVDMRQMCIBT-SFHVURJKSA-N -1 3 431.432 3.133 50 0 IGAAHM Cn1c(CC(=O)Nc2ccccc2Cl)nnc1SCC(=O)Nc1ccccc1[O-] ZINC000009328590 557187177 /nfs/dbraw/zinc/18/71/77/557187177.db2.gz NSYPMMFQZNILIM-UHFFFAOYSA-N -1 3 431.905 3.086 50 0 IGAAHM COc1ccc(N2C(=O)C(=C3C(=O)Nc4ccc(Br)cc43)[N-]C2=S)cc1 ZINC000100842025 557191056 /nfs/dbraw/zinc/19/10/56/557191056.db2.gz SMTZVVNCCNZEGG-PFONDFGASA-N -1 3 430.283 3.042 50 0 IGAAHM COC(=O)C[C@@H]([N-]S(=O)(=O)Cc1ccc(Br)cc1F)c1cccs1 ZINC000072232405 557194518 /nfs/dbraw/zinc/19/45/18/557194518.db2.gz BNLPCVNPSZHJCE-CYBMUJFWSA-N -1 3 436.324 3.374 50 0 IGAAHM CC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000100877305 557195637 /nfs/dbraw/zinc/19/56/37/557195637.db2.gz UOXCUMIRKOOANI-WMZOPIPTSA-N -1 3 426.270 3.081 50 0 IGAAHM COc1ccc(C2=NOC3=C([O-])N(c4ccc(C)cc4Br)C(=O)[C@@H]23)cc1OC ZINC000102557282 557358937 /nfs/dbraw/zinc/35/89/37/557358937.db2.gz DKRPKERPYQBJLG-FUHWJXTLSA-N -1 3 445.269 3.067 50 0 IGAAHM CCOc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)Nc2ccc(F)cc2)cc1 ZINC000051316488 557464482 /nfs/dbraw/zinc/46/44/82/557464482.db2.gz KTLRSTUJVZYQRE-UHFFFAOYSA-N -1 3 439.472 3.377 50 0 IGAAHM CCOc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)Nc2ccc(F)cc2)cc1 ZINC000051316488 557464484 /nfs/dbraw/zinc/46/44/84/557464484.db2.gz KTLRSTUJVZYQRE-UHFFFAOYSA-N -1 3 439.472 3.377 50 0 IGAAHM CCN(CC)Cc1nc(C2([N-]S(=O)(=O)c3cccc4c3OC(C)(C)C4)CCCC2)no1 ZINC000239722504 557845057 /nfs/dbraw/zinc/84/50/57/557845057.db2.gz CDAFAKMHTWTGEC-UHFFFAOYSA-N -1 3 448.589 3.373 50 0 IGAAHM CCOc1ccc(CSc2nc3c(nc(C)[n-]c3=O)n2C)cc1-n1nc2ccccc2n1 ZINC000019625931 560094091 /nfs/dbraw/zinc/09/40/91/560094091.db2.gz UWTZZMDLSYUBOU-UHFFFAOYSA-N -1 3 447.524 3.390 50 0 biogenic,in-vitro IGAAHM CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(C3CC3)o2)cc1 ZINC000002456995 562927845 /nfs/dbraw/zinc/92/78/45/562927845.db2.gz OFDGTKZSUYFKKW-UHFFFAOYSA-N -1 3 426.498 3.410 50 0 IGAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCCn3ccnc3)c2)cc1 ZINC000009139376 562967734 /nfs/dbraw/zinc/96/77/34/562967734.db2.gz BHIJOYWASLSKIV-UHFFFAOYSA-N -1 3 442.541 3.211 50 0 IGAAHM O=S(=O)([N-]C[C@@H](c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1cccs1 ZINC000056896425 563142708 /nfs/dbraw/zinc/14/27/08/563142708.db2.gz APYVRWRPZHPAJR-FQEVSTJZSA-N -1 3 446.573 3.124 50 0 IGAAHM COc1cc([C@@H]2C(C(=O)OCC(C)C)C(C)=Nc3ncnn32)cc(Br)c1[O-] ZINC000000959072 568646196 /nfs/dbraw/zinc/64/61/96/568646196.db2.gz PDWFTXPUUKSIBM-OAHLLOKOSA-N -1 3 437.294 3.243 50 0 IGAAHM CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]Cc3ccc(C)o3)cc21 ZINC000045913551 568783360 /nfs/dbraw/zinc/78/33/60/568783360.db2.gz UAXMDOWFVKUQOU-UHFFFAOYSA-N -1 3 427.320 3.128 50 0 IGAAHM O=C(Nc1nccs1)c1cc(S(=O)(=O)[N-]C[C@@H]2CCCO2)c(Cl)cc1Cl ZINC000001425899 568793771 /nfs/dbraw/zinc/79/37/71/568793771.db2.gz JCEUMVLSKBMGTR-VIFPVBQESA-N -1 3 436.342 3.160 50 0 IGAAHM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(N4CCCS4(=O)=O)cc3)cc2)cs1 ZINC000084275036 568796687 /nfs/dbraw/zinc/79/66/87/568796687.db2.gz JQPQUCCGIPSEEY-UHFFFAOYSA-N -1 3 449.579 3.459 50 0 IGAAHM CCCNC(=O)c1cnc2ccc(S(=O)(=O)N(C)c3ccc(CC)cc3)cc2c1[O-] ZINC000006181197 568867993 /nfs/dbraw/zinc/86/79/93/568867993.db2.gz RTKVSKQATMENAL-UHFFFAOYSA-N -1 3 427.526 3.055 50 0 IGAAHM Cc1cc(C(=O)[N-]c2nc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)co2)no1 ZINC000090583061 568888163 /nfs/dbraw/zinc/88/81/63/568888163.db2.gz WFFOFDXKFGRIGQ-UHFFFAOYSA-N -1 3 449.389 3.205 50 0 IGAAHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1Cl ZINC000012982119 568894643 /nfs/dbraw/zinc/89/46/43/568894643.db2.gz CNBWFMBCFZZCNY-INIZCTEOSA-N -1 3 425.890 3.084 50 0 IGAAHM CCOc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)ccc1O ZINC000245229397 568913087 /nfs/dbraw/zinc/91/30/87/568913087.db2.gz WRJJAINARFDXTG-FUHIMQAGSA-N -1 3 438.402 3.203 50 0 IGAAHM O=C([N-]c1ccccc1F)c1nnc([C@@H]2CCCN2S(=O)(=O)c2ccccc2)s1 ZINC000064941690 568991262 /nfs/dbraw/zinc/99/12/62/568991262.db2.gz SUDVKPYCLJPQOE-INIZCTEOSA-N -1 3 432.502 3.455 50 0 IGAAHM O=C(Nc1ccccc1F)c1nnc(C[N-]S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000064991755 569084762 /nfs/dbraw/zinc/08/47/62/569084762.db2.gz YOSYHTGVLFMQOV-UHFFFAOYSA-N -1 3 426.882 3.061 50 0 IGAAHM NC(=O)[C@H]1CCCN1Cc1ccccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000170617476 569147281 /nfs/dbraw/zinc/14/72/81/569147281.db2.gz YONNBSOGUFNMNA-GOSISDBHSA-N -1 3 442.368 3.385 50 0 IGAAHM O=C([O-])[C@@H](CC(=O)Nc1ccc(F)cc1)CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000071283560 569150798 /nfs/dbraw/zinc/15/07/98/569150798.db2.gz ONDWPIGXTQYBOC-PDGUBNMISA-N -1 3 425.504 3.186 50 0 IGAAHM O=C([N-]c1cc(-c2c(F)cccc2F)no1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000089768201 569162498 /nfs/dbraw/zinc/16/24/98/569162498.db2.gz BRVHJLYBTLVBNY-AWEZNQCLSA-N -1 3 439.465 3.473 50 0 IGAAHM COC(=O)[C@@]([N-]c1nc2c(s1)CCCC2)(NC(=O)c1cccc(F)c1)C(F)(F)F ZINC000002284533 569263736 /nfs/dbraw/zinc/26/37/36/569263736.db2.gz JTUGFMKHKUNYHL-KRWDZBQOSA-N -1 3 431.411 3.435 50 0 IGAAHM Cc1cc(S(=O)(=O)[C@H](C[N-]S(=O)(=O)c2cccs2)c2cccnc2)ccc1F ZINC000019797367 569329671 /nfs/dbraw/zinc/32/96/71/569329671.db2.gz PYSCWMWCZNPIHS-QGZVFWFLSA-N -1 3 440.543 3.084 50 0 IGAAHM CCOC(=O)C1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2ccc(OC)cc2)CC1 ZINC000020216012 569356695 /nfs/dbraw/zinc/35/66/95/569356695.db2.gz ZCMCOIKDSVKAGV-QGZVFWFLSA-N -1 3 430.530 3.178 50 0 IGAAHM COC(=O)C[C@H](c1cnn2cccnc12)c1oc(CSc2ccccc2)cc(=O)c1[O-] ZINC000095479420 569373687 /nfs/dbraw/zinc/37/36/87/569373687.db2.gz VBALDIHXFOYZEA-MRXNPFEDSA-N -1 3 437.477 3.375 50 0 IGAAHM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccc3c(c2)n(C)c(=O)n3C)S1 ZINC000096117831 569384203 /nfs/dbraw/zinc/38/42/03/569384203.db2.gz KTYLDDLERDCMNP-KSSFIOAISA-N -1 3 441.557 3.383 50 0 IGAAHM COC(=O)c1sccc1S(=O)(=O)[N-]CC1(c2ccc([C@@H](C)O)s2)CCCC1 ZINC000225684180 569406992 /nfs/dbraw/zinc/40/69/92/569406992.db2.gz LFRDKJFMSQZHIW-GFCCVEGCSA-N -1 3 429.585 3.440 50 0 IGAAHM Cc1ccc(Cn2cc(-n3c(=S)[n-]nc3Cn3cc(Br)cn3)cn2)cc1 ZINC000002808292 569422730 /nfs/dbraw/zinc/42/27/30/569422730.db2.gz WSHDTLFMOGPXLK-UHFFFAOYSA-N -1 3 430.335 3.117 50 0 IGAAHM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1)C1CCN(C)CC1 ZINC000003309977 569445407 /nfs/dbraw/zinc/44/54/07/569445407.db2.gz QZWGARNVDHIVRR-UHFFFAOYSA-N -1 3 427.979 3.369 50 0 IGAAHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)N(C[C@H]3CCCO3)C[C@@H]3CCCO3)c2)n1 ZINC000069451233 569506558 /nfs/dbraw/zinc/50/65/58/569506558.db2.gz AWGCVWNJTAGPSE-BGYRXZFFSA-N -1 3 426.517 3.191 50 0 IGAAHM Cc1cccc(Cn2nnc3c2nc(C2CCN(C(=O)c4ccccc4)CC2)[n-]c3=O)c1 ZINC000009195472 569510993 /nfs/dbraw/zinc/51/09/93/569510993.db2.gz KQWVFOFWTKFVHG-UHFFFAOYSA-N -1 3 428.496 3.303 50 0 IGAAHM O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000009211564 569511807 /nfs/dbraw/zinc/51/18/07/569511807.db2.gz RDIGPRLBZNZSPF-UHFFFAOYSA-N -1 3 427.869 3.332 50 0 IGAAHM COc1cc([C@@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCCO)ccc1O ZINC000009243044 569514755 /nfs/dbraw/zinc/51/47/55/569514755.db2.gz NAXAMXXIUUFWAR-OAQYLSRUSA-N -1 3 443.887 3.386 50 0 IGAAHM O=c1cc(Cc2nnc(SCc3cccc(Cl)c3)n2-c2ccc(F)cc2)[nH]c(=O)[n-]1 ZINC000009382063 569528203 /nfs/dbraw/zinc/52/82/03/569528203.db2.gz XBGCVSWEARQERU-UHFFFAOYSA-N -1 3 443.891 3.320 50 0 IGAAHM Cc1cccc(CSc2nnc(Cc3cc(=O)[n-]c(=O)[nH]3)n2-c2ccc(Cl)cc2)c1 ZINC000009382099 569528245 /nfs/dbraw/zinc/52/82/45/569528245.db2.gz YXTDNPCJMMAWNU-UHFFFAOYSA-N -1 3 439.928 3.489 50 0 IGAAHM Cc1csc(NC(=O)CSc2nc(-c3cc(Br)ccc3[O-])n[nH]2)n1 ZINC000009410163 569531260 /nfs/dbraw/zinc/53/12/60/569531260.db2.gz HCELKFVZQUQONY-UHFFFAOYSA-N -1 3 426.321 3.436 50 0 IGAAHM Cc1csc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3[O-])n2)n1 ZINC000009410163 569531261 /nfs/dbraw/zinc/53/12/61/569531261.db2.gz HCELKFVZQUQONY-UHFFFAOYSA-N -1 3 426.321 3.436 50 0 IGAAHM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3ncc(C(=O)NC4CCCCC4)c([O-])c3c2)C1 ZINC000009495407 569541122 /nfs/dbraw/zinc/54/11/22/569541122.db2.gz IPQPZHIQOIRXIY-IYBDPMFKSA-N -1 3 445.585 3.257 50 0 IGAAHM CCOC(=O)c1sc2[n-]c([C@@H](C)Sc3nc4nc(C)cc(C)n4n3)nc(=O)c2c1C ZINC000009639698 569555208 /nfs/dbraw/zinc/55/52/08/569555208.db2.gz POEJQFHOZGZPMF-LLVKDONJSA-N -1 3 444.542 3.378 50 0 IGAAHM CC[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cc(C3CC3)nn2-c2ccccc2)C1=O ZINC000009762588 569566517 /nfs/dbraw/zinc/56/65/17/569566517.db2.gz ODYXPNMDUXJKNC-XMMPIXPASA-N -1 3 429.480 3.252 50 0 IGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCOc1ccc(-c2ccc(F)cc2)nn1 ZINC000009852940 569571415 /nfs/dbraw/zinc/57/14/15/569571415.db2.gz ZMEHDUBBLGQXOF-UHFFFAOYSA-N -1 3 437.880 3.302 50 0 IGAAHM CC(C)(C)c1cc([N-]C(=O)COC(=O)c2cccc(I)c2)on1 ZINC000009871496 569572387 /nfs/dbraw/zinc/57/23/87/569572387.db2.gz OBNVKEBABFXCBU-UHFFFAOYSA-N -1 3 428.226 3.372 50 0 IGAAHM COc1ccc(-c2ccc(OCC[N-]S(=O)(=O)c3cc(Cl)ccc3OC)nn2)cc1 ZINC000010324545 569580942 /nfs/dbraw/zinc/58/09/42/569580942.db2.gz VFCJSEHWAMTOEE-UHFFFAOYSA-N -1 3 449.916 3.172 50 0 IGAAHM Cc1cc(C(F)(F)F)nc(CC[N-]S(=O)(=O)c2ccc(Br)s2)n1 ZINC000077101122 569585532 /nfs/dbraw/zinc/58/55/32/569585532.db2.gz VXGZYUBQJHDXQT-UHFFFAOYSA-N -1 3 430.271 3.149 50 0 IGAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCN(C)C)ccc2N2CCCCC2)cc1 ZINC000003007791 132260446 /nfs/dbraw/zinc/26/04/46/132260446.db2.gz CDOFQIKMXHKBAM-UHFFFAOYSA-N -1 3 444.601 3.078 50 0 IGAAHM COc1ccc(N2C(=O)CC[C@H](C(=O)[N-]C3=NCCS3)[C@@H]2c2ccccc2OC)cc1 ZINC000012972500 132341110 /nfs/dbraw/zinc/34/11/10/132341110.db2.gz SRIPPYVUVPUIKH-RXVVDRJESA-N -1 3 439.537 3.407 50 0 IGAAHM CC(C)c1nnc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccccc2F)s1 ZINC000012782391 519889770 /nfs/dbraw/zinc/88/97/70/519889770.db2.gz APOPDODDQYDCQM-INIZCTEOSA-N -1 3 448.545 3.329 50 0 IGAAHM CCCOc1ccc([C@@H](C)NC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)cc1OCCC ZINC000012885496 520411577 /nfs/dbraw/zinc/41/15/77/520411577.db2.gz JFNALCMGRDIPJD-MRXNPFEDSA-N -1 3 439.512 3.145 50 0 IGAAHM CCOc1cc([C@H]2NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)cc(Cl)c1[O-] ZINC000012506447 520786120 /nfs/dbraw/zinc/78/61/20/520786120.db2.gz OZBQCFDWTSIEAM-SFHVURJKSA-N -1 3 429.864 3.052 50 0 IGAAHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1 ZINC000020554846 521211489 /nfs/dbraw/zinc/21/14/89/521211489.db2.gz JIGWUSVWUXEUOE-UHFFFAOYSA-N -1 3 440.525 3.180 50 0 IGAAHM CCOC(=O)[C@]([N-]S(=O)(=O)c1ccccc1)(C(F)(F)F)[P@@](C)(=O)OC(C)C ZINC000012412240 521349609 /nfs/dbraw/zinc/34/96/09/521349609.db2.gz LPBDKVRBWLPMBN-PTFIGZPYSA-N -1 3 431.369 3.120 50 0 IGAAHM CCCn1c(=O)[n-]nc1SCC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000012778748 521615233 /nfs/dbraw/zinc/61/52/33/521615233.db2.gz GPABNBXXGWDSNG-FQEVSTJZSA-N -1 3 436.965 3.224 50 0 IGAAHM C[C@@H](CCc1ccccc1)NC(=O)CSc1nc(-c2ccccc2)nc2cc(=O)[n-]n21 ZINC000021537398 524531236 /nfs/dbraw/zinc/53/12/36/524531236.db2.gz SIXPMPGFPITOMF-INIZCTEOSA-N -1 3 433.537 3.314 50 0 IGAAHM Cc1ccc(CSc2nnc(Cc3cc(=O)[n-]c(=O)[nH]3)n2-c2cc(C)ccc2C)cc1 ZINC000017041828 524649581 /nfs/dbraw/zinc/64/95/81/524649581.db2.gz BBBACISRAMSWSF-UHFFFAOYSA-N -1 3 433.537 3.452 50 0 IGAAHM C[C@]1(CSc2ccccc2C(=O)N2CCC(Cc3ccccc3)CC2)NC(=O)[N-]C1=O ZINC000012792065 525274393 /nfs/dbraw/zinc/27/43/93/525274393.db2.gz MJKRWFXIFZHVRV-XMMPIXPASA-N -1 3 437.565 3.472 50 0 IGAAHM COc1cccc(OCCOc2cccc([C@@H]3SC([N-]C(C)=O)=NN3C(C)=O)c2)c1 ZINC000020896484 526233959 /nfs/dbraw/zinc/23/39/59/526233959.db2.gz NETFIVQLNULYQG-FQEVSTJZSA-N -1 3 429.498 3.154 50 0 IGAAHM O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000012750511 527046966 /nfs/dbraw/zinc/04/69/66/527046966.db2.gz KHQFGTKVEWFJRR-QFIPXVFZSA-N -1 3 435.549 3.492 50 0 IGAAHM O=C(Nc1nc2ccccc2[nH]1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000012756089 527515860 /nfs/dbraw/zinc/51/58/60/527515860.db2.gz MIQRQADVQGQSHX-LJQANCHMSA-N -1 3 438.484 3.230 50 0 IGAAHM CCOC(=O)c1[n-]c(COC(=O)/C=C/c2ccc(OC)c(OC)c2)c(C(=O)OCC)c1C ZINC000009713897 555662355 /nfs/dbraw/zinc/66/23/55/555662355.db2.gz NEPYKEMDBKRKJG-PKNBQFBNSA-N -1 3 445.468 3.450 50 0 IGAAHM CN1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)c2)CC1 ZINC000003217659 555900112 /nfs/dbraw/zinc/90/01/12/555900112.db2.gz WVSNYMPJUHZGDN-UHFFFAOYSA-N -1 3 428.341 3.182 50 0 IGAAHM O=C([N-]c1sc(I)cc1I)C(F)(F)F ZINC000004099337 555962224 /nfs/dbraw/zinc/96/22/24/555962224.db2.gz HKGVHAGRLCNGSF-UHFFFAOYSA-N -1 3 446.957 3.458 50 0 IGAAHM C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[N-]c3nnc(-c4cccs4)o3)cc2)C1 ZINC000002723560 556128750 /nfs/dbraw/zinc/12/87/50/556128750.db2.gz QWQLUXQKGHABPZ-ZDUSSCGKSA-N -1 3 432.527 3.471 50 0 IGAAHM COc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)cc1OC ZINC000008915339 556232512 /nfs/dbraw/zinc/23/25/12/556232512.db2.gz VVCZJTICMGHIIA-FUHIMQAGSA-N -1 3 438.402 3.116 50 0 IGAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000013750742 556299015 /nfs/dbraw/zinc/29/90/15/556299015.db2.gz ZLIJLRZZUHFMRB-ZRBLBEILSA-N -1 3 446.459 3.461 50 0 IGAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)Cn2nc(C(F)F)c(Br)c2C2CC2)N1 ZINC000013960028 556346927 /nfs/dbraw/zinc/34/69/27/556346927.db2.gz BZNYFMWPYLJOHB-CYBMUJFWSA-N -1 3 445.186 3.320 50 0 IGAAHM C[C@@H](OC(=O)c1ccc(OC[C@H]2CCCO2)cc1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032672057 556414735 /nfs/dbraw/zinc/41/47/35/556414735.db2.gz URSYOYIEQAWLQP-FOIQADDNSA-N -1 3 447.509 3.044 50 0 IGAAHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)Cn1c2ccccc2nc1SC(F)F ZINC000030031980 556489931 /nfs/dbraw/zinc/48/99/31/556489931.db2.gz WJYUSWGJXDOWGJ-UHFFFAOYSA-N -1 3 435.481 3.308 50 0 IGAAHM CS(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2n[n-]c(-c3cccs3)n2)c1 ZINC000013150116 556491975 /nfs/dbraw/zinc/49/19/75/556491975.db2.gz VEUNWALSLVJAQF-UHFFFAOYSA-N -1 3 428.948 3.321 50 0 IGAAHM Cc1cc(C(=O)COC(=O)c2cccc([N-]S(C)(=O)=O)c2)c(C)n1CC(F)(F)F ZINC000015279189 556515857 /nfs/dbraw/zinc/51/58/57/556515857.db2.gz FBSIKTYMWMLBQT-UHFFFAOYSA-N -1 3 432.420 3.078 50 0 IGAAHM CC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000100739594 556658519 /nfs/dbraw/zinc/65/85/19/556658519.db2.gz AFWBWXQHEHEVKX-WBVHZDCISA-N -1 3 446.688 3.426 50 0 IGAAHM O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000078714634 556735426 /nfs/dbraw/zinc/73/54/26/556735426.db2.gz GUGCAPFNLWHIAE-UHFFFAOYSA-N -1 3 439.479 3.358 50 0 IGAAHM O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000078714634 556735429 /nfs/dbraw/zinc/73/54/29/556735429.db2.gz GUGCAPFNLWHIAE-UHFFFAOYSA-N -1 3 439.479 3.358 50 0 IGAAHM CCOC(=O)[C@H]1CCc2sc([N-]C(=O)c3coc(NC(=O)c4ccccc4)n3)nc21 ZINC000062023014 556766525 /nfs/dbraw/zinc/76/65/25/556766525.db2.gz XELBGQFLZLELOF-LBPRGKRZSA-N -1 3 426.454 3.229 50 0 IGAAHM COC(=O)c1ccc(C(F)(F)F)cc1[N-]C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000058201757 556771062 /nfs/dbraw/zinc/77/10/62/556771062.db2.gz USXVNUJNLUPCDX-UHFFFAOYSA-N -1 3 446.403 3.122 50 0 IGAAHM O=C(c1cccc(Br)c1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011227862 556875848 /nfs/dbraw/zinc/87/58/48/556875848.db2.gz QSBHEBAXHHJGAT-UHFFFAOYSA-N -1 3 429.361 3.094 50 0 IGAAHM O=S(=O)([N-]CCCN1CCN(Cc2ccccc2)CC1)c1cccc(Cl)c1Cl ZINC000020412759 557014068 /nfs/dbraw/zinc/01/40/68/557014068.db2.gz PYEIMDCIHXPIDC-UHFFFAOYSA-N -1 3 442.412 3.480 50 0 IGAAHM COc1cc(OC)cc([C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)c2nccn2C)c1 ZINC000010747991 557023461 /nfs/dbraw/zinc/02/34/61/557023461.db2.gz SILVGWAQSIAIIY-MRXNPFEDSA-N -1 3 427.935 3.220 50 0 IGAAHM O=c1cc(Cc2nnc(SCc3ccccc3Cl)n2-c2ccccc2)[nH]c(=O)[n-]1 ZINC000017192672 557037319 /nfs/dbraw/zinc/03/73/19/557037319.db2.gz PGNFDZYIINZVMT-UHFFFAOYSA-N -1 3 425.901 3.180 50 0 IGAAHM COc1ccccc1-c1noc(CSc2nc3[n-]ncc3c(=O)n2-c2ccccc2)n1 ZINC000033292197 557070083 /nfs/dbraw/zinc/07/00/83/557070083.db2.gz YKEPBVUMURSQRG-UHFFFAOYSA-N -1 3 432.465 3.460 50 0 IGAAHM COc1ccccc1-c1noc(CSc2nc3n[n-]cc3c(=O)n2-c2ccccc2)n1 ZINC000033292197 557070088 /nfs/dbraw/zinc/07/00/88/557070088.db2.gz YKEPBVUMURSQRG-UHFFFAOYSA-N -1 3 432.465 3.460 50 0 IGAAHM Cc1ccc([N-]S(=O)(=O)c2c[nH]c(-c3nnc(C(=O)N4CCCC4)o3)c2)c(Cl)c1 ZINC000085808776 557076750 /nfs/dbraw/zinc/07/67/50/557076750.db2.gz FCWIUQUMEBPKOW-UHFFFAOYSA-N -1 3 435.893 3.063 50 0 IGAAHM COc1ccc(N2C(=O)C(=Cc3cc(Br)c([O-])c(OC)c3)NC2=S)cc1 ZINC000000685190 557136134 /nfs/dbraw/zinc/13/61/34/557136134.db2.gz BBFQSBFWIUYMPP-RIYZIHGNSA-N -1 3 435.299 3.434 50 0 IGAAHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccccc1Cn1cccn1 ZINC000010959260 557157968 /nfs/dbraw/zinc/15/79/68/557157968.db2.gz XOYNWWSZIMBILE-UHFFFAOYSA-N -1 3 436.331 3.181 50 0 IGAAHM COc1ccc([C@@H]2CCCCCN2C(=O)CC[N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000024987988 557186798 /nfs/dbraw/zinc/18/67/98/557186798.db2.gz WXQZWEXSFJYNHF-IBGZPJMESA-N -1 3 435.546 3.112 50 0 IGAAHM CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000018119367 557238350 /nfs/dbraw/zinc/23/83/50/557238350.db2.gz NOZYYINCPMRNJH-WBVHZDCISA-N -1 3 432.263 3.291 50 0 IGAAHM O=C(Nc1ccc(OCc2ccccc2)cc1)c1cnc2c(c1)c(=O)[n-]c(=O)n2C1CC1 ZINC000032908236 557317490 /nfs/dbraw/zinc/31/74/90/557317490.db2.gz WFLVADHPBLHDKF-UHFFFAOYSA-N -1 3 428.448 3.251 50 0 IGAAHM COc1ccc(-c2cc(C(=O)N3NC4=C(CCCC4)[C@@]3([O-])C(F)(F)F)[nH]n2)cc1OC ZINC000033027864 557321313 /nfs/dbraw/zinc/32/13/13/557321313.db2.gz DCTMRWZIHFZGMF-HXPMCKFVSA-N -1 3 438.406 3.347 50 0 IGAAHM COC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1 ZINC000102708824 557367649 /nfs/dbraw/zinc/36/76/49/557367649.db2.gz HGEYGPHKXWJQND-BHIFYINESA-N -1 3 444.443 3.230 50 0 IGAAHM CCOc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)N2CCc3ccccc32)cc1 ZINC000051316471 557464064 /nfs/dbraw/zinc/46/40/64/557464064.db2.gz RAUAASZZYZUMNW-UHFFFAOYSA-N -1 3 447.520 3.189 50 0 IGAAHM CCOc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)N2CCc3ccccc32)cc1 ZINC000051316471 557464069 /nfs/dbraw/zinc/46/40/69/557464069.db2.gz RAUAASZZYZUMNW-UHFFFAOYSA-N -1 3 447.520 3.189 50 0 IGAAHM CSc1ccc(CN(C)C(=O)CN2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1 ZINC000015044502 568634591 /nfs/dbraw/zinc/63/45/91/568634591.db2.gz OIBBWNMHEVYAHV-UHFFFAOYSA-N -1 3 427.570 3.423 50 0 IGAAHM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)[N-]c3nnc(-c4ccco4)o3)cc2)C1 ZINC000015357136 568759743 /nfs/dbraw/zinc/75/97/43/568759743.db2.gz UDXGNWZVLWNUOT-OKILXGFUSA-N -1 3 430.486 3.249 50 0 IGAAHM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Nc3cc(N(C)C)nc(C)n3)cc2)c1 ZINC000015671329 568802990 /nfs/dbraw/zinc/80/29/90/568802990.db2.gz CSUQQFCYLAXAGJ-UHFFFAOYSA-N -1 3 443.529 3.413 50 0 IGAAHM Cc1ccccc1-c1nc2cc(=O)[n-]n2c(SCC(=O)NCCCc2ccccc2)n1 ZINC000015732605 568815578 /nfs/dbraw/zinc/81/55/78/568815578.db2.gz CJRGIXLOMZAWJR-UHFFFAOYSA-N -1 3 433.537 3.234 50 0 IGAAHM Cc1ccccc1N(C)S(=O)(=O)c1ccc2ncc(C(=O)NC3CCCC3)c([O-])c2c1 ZINC000006181311 568867982 /nfs/dbraw/zinc/86/79/82/568867982.db2.gz SRPZGURHSHXDSE-UHFFFAOYSA-N -1 3 439.537 3.334 50 0 IGAAHM O=S(=O)([N-]CCNc1cc(Nc2ccccn2)ncn1)c1ccccc1C(F)(F)F ZINC000090607958 568890857 /nfs/dbraw/zinc/89/08/57/568890857.db2.gz KEONKLFBODVNFR-UHFFFAOYSA-N -1 3 438.435 3.024 50 0 IGAAHM COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4C(=O)[O-])[C@H]3C2=O)cc1 ZINC000245310349 568914530 /nfs/dbraw/zinc/91/45/30/568914530.db2.gz IJYVDSXEAORJEH-YPAWHYETSA-N -1 3 444.443 3.445 50 0 IGAAHM COc1cccc(Cc2nc3c(c(=O)[n-]2)CN(C(=O)Nc2ccc(F)c(F)c2)CC3)c1 ZINC000035818993 568927601 /nfs/dbraw/zinc/92/76/01/568927601.db2.gz ACEGSLJHRFFQTK-UHFFFAOYSA-N -1 3 426.423 3.238 50 0 IGAAHM CCN1CCN(c2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2C(=O)[O-])CC1 ZINC000064580575 568934578 /nfs/dbraw/zinc/93/45/78/568934578.db2.gz WYYXSCHQCLKBSE-UHFFFAOYSA-N -1 3 431.558 3.253 50 0 IGAAHM Cc1cc(C)cc(S(=O)(=O)NCc2nnc(C(=O)[N-]c3ccc(F)cc3F)s2)c1 ZINC000064991844 569084337 /nfs/dbraw/zinc/08/43/37/569084337.db2.gz SCFVYQBCDKHCMG-UHFFFAOYSA-N -1 3 438.481 3.164 50 0 IGAAHM O=C(Nc1ccccc1F)c1nnc(C[N-]S(=O)(=O)c2ccc3c(c2)CCCC3)s1 ZINC000064991767 569084760 /nfs/dbraw/zinc/08/47/60/569084760.db2.gz SERSAPQPZUZGHH-UHFFFAOYSA-N -1 3 446.529 3.287 50 0 IGAAHM CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])N1CCN(Cc2cccnc2)CC1 ZINC000036366549 569087303 /nfs/dbraw/zinc/08/73/03/569087303.db2.gz RWQYTFRBPYKMJU-JOCHJYFZSA-N -1 3 435.528 3.101 50 0 IGAAHM Cc1ccc(C[N-]S(=O)(=O)c2c3oc(C(=O)N4CCOCC4)c(C)c3cc(C)c2C)o1 ZINC000065010858 569088258 /nfs/dbraw/zinc/08/82/58/569088258.db2.gz JFGIYYKYDHLZPH-UHFFFAOYSA-N -1 3 446.525 3.210 50 0 IGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc3onc(C(=O)N4CCOCC4)c3c2)c(Cl)c1 ZINC000065115444 569106734 /nfs/dbraw/zinc/10/67/34/569106734.db2.gz DIXSDCJCOUOLQR-UHFFFAOYSA-N -1 3 435.889 3.063 50 0 IGAAHM O=C([N-]c1cc(-c2c(F)cccc2F)no1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000089768202 569162561 /nfs/dbraw/zinc/16/25/61/569162561.db2.gz BRVHJLYBTLVBNY-CQSZACIVSA-N -1 3 439.465 3.473 50 0 IGAAHM CCOC(=O)[C@]([N-]c1ccc(F)cc1)(NS(=O)(=O)c1ccc(C)cc1)C(F)(F)F ZINC000002272343 569217737 /nfs/dbraw/zinc/21/77/37/569217737.db2.gz JZSKDZOHELPTIM-KRWDZBQOSA-N -1 3 434.411 3.346 50 0 IGAAHM COc1ccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2ccccc2OC)cc1OC ZINC000027527602 569263372 /nfs/dbraw/zinc/26/33/72/569263372.db2.gz XAVBHQOKVBYQQV-UHFFFAOYSA-N -1 3 431.448 3.473 50 0 IGAAHM CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)cc(Br)c1[O-] ZINC000002335561 569274775 /nfs/dbraw/zinc/27/47/75/569274775.db2.gz LZMYBVPWHNODIH-INIZCTEOSA-N -1 3 438.347 3.457 50 0 IGAAHM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)NCCN(C)C)c(Cl)c2)c1 ZINC000095431878 569366318 /nfs/dbraw/zinc/36/63/18/569366318.db2.gz RXZYISKLQACGNV-UHFFFAOYSA-N -1 3 446.356 3.094 50 0 IGAAHM CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2CN2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1 ZINC000095467792 569371181 /nfs/dbraw/zinc/37/11/81/569371181.db2.gz TZVYXLHXCNFYOG-QFIPXVFZSA-N -1 3 445.523 3.063 50 0 IGAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)Nc2ccc4c(c2)OCO4)[n-]c3=O)cc1C ZINC000002718070 569418092 /nfs/dbraw/zinc/41/80/92/569418092.db2.gz GCSVQHJJMRTTEK-UHFFFAOYSA-N -1 3 449.492 3.185 50 0 IGAAHM Cc1nn(Cc2n[n-]c(=S)n2-c2cnn(Cc3ccccc3)c2)cc1Br ZINC000002808449 569422787 /nfs/dbraw/zinc/42/27/87/569422787.db2.gz KPDNFCWSKRDAGI-UHFFFAOYSA-N -1 3 430.335 3.117 50 0 IGAAHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N3CCC[C@@H]3c3ccc(OC)cc3)cc(C(C)C)nc21 ZINC000032452734 569461754 /nfs/dbraw/zinc/46/17/54/569461754.db2.gz LNXIMSWWQSXCOM-LJQANCHMSA-N -1 3 436.512 3.214 50 0 IGAAHM COc1ccccc1-c1nc(NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)n[n-]1 ZINC000040154202 569493733 /nfs/dbraw/zinc/49/37/33/569493733.db2.gz REGFZJWWGLMACO-UHFFFAOYSA-N -1 3 433.512 3.290 50 0 IGAAHM C[C@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000009218236 569512349 /nfs/dbraw/zinc/51/23/49/569512349.db2.gz AJGJJEIYERHNMD-ZDUSSCGKSA-N -1 3 443.554 3.410 50 0 IGAAHM COc1cc([C@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCCO)ccc1O ZINC000009243045 569514731 /nfs/dbraw/zinc/51/47/31/569514731.db2.gz NAXAMXXIUUFWAR-NRFANRHFSA-N -1 3 443.887 3.386 50 0 IGAAHM CCOC(=O)C[C@@H](c1ccc(OC2CCCC2)c(OC)c1)c1oc(CO)cc(=O)c1[O-] ZINC000071280085 569573611 /nfs/dbraw/zinc/57/36/11/569573611.db2.gz AVJVXJUYVDWLBC-KRWDZBQOSA-N -1 3 432.469 3.253 50 0 IGAAHM COc1ccc(NC(=O)C[C@H](CN2CCN(c3cccc(Cl)c3)CC2)C(=O)[O-])cc1 ZINC000071282182 569573699 /nfs/dbraw/zinc/57/36/99/569573699.db2.gz UNOSKOUVAINIKW-MRXNPFEDSA-N -1 3 431.920 3.200 50 0 IGAAHM CCN(Cc1nc(=O)c2c(C)c(C(=O)OC(C)C)sc2[n-]1)C[C@@H](O)c1ccccc1 ZINC000036206843 569587902 /nfs/dbraw/zinc/58/79/02/569587902.db2.gz DLWJHFBSZDKDOY-MRXNPFEDSA-N -1 3 429.542 3.414 50 0 IGAAHM CCCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(OC)cc3C)cc21 ZINC000011612442 132338111 /nfs/dbraw/zinc/33/81/11/132338111.db2.gz XXECOQRWPMTDBF-UHFFFAOYSA-N -1 3 438.571 3.297 50 0 IGAAHM COc1ccc(N2C(=O)CC[C@H](C(=O)[N-]C3=NCCS3)[C@H]2c2ccccc2OC)cc1 ZINC000012972501 132341158 /nfs/dbraw/zinc/34/11/58/132341158.db2.gz SRIPPYVUVPUIKH-GHTZIAJQSA-N -1 3 439.537 3.407 50 0 IGAAHM CCCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(OC)c(F)c3)ccc21 ZINC000012180441 520525532 /nfs/dbraw/zinc/52/55/32/520525532.db2.gz YSCKRYNNHLKBKF-UHFFFAOYSA-N -1 3 442.534 3.128 50 0 IGAAHM CCCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(OC)cc3C)ccc21 ZINC000012180457 520525558 /nfs/dbraw/zinc/52/55/58/520525558.db2.gz BVCADVPIDASPPU-UHFFFAOYSA-N -1 3 438.571 3.297 50 0 IGAAHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@H](C)O[C@@H](C)C3)ccc2C)cc1 ZINC000012521332 521130934 /nfs/dbraw/zinc/13/09/34/521130934.db2.gz MIFZOMQGHBFLTA-IRXDYDNUSA-N -1 3 432.542 3.444 50 0 IGAAHM CCOc1ccc([C@@H](c2sc3nc(CC)nn3c2[O-])N2CCC3(CC2)OCCO3)cc1 ZINC000022854140 521234531 /nfs/dbraw/zinc/23/45/31/521234531.db2.gz WPJCWESUEOISQS-SFHVURJKSA-N -1 3 444.557 3.386 50 0 IGAAHM COc1cc(OC)c(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1Cl ZINC000024639909 522811803 /nfs/dbraw/zinc/81/18/03/522811803.db2.gz KPJHFECJFZUVJJ-UHFFFAOYSA-N -1 3 428.869 3.189 50 0 IGAAHM COc1cc([C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OCCOc1cccc(C)c1 ZINC000020895395 522932037 /nfs/dbraw/zinc/93/20/37/522932037.db2.gz NXJTYOILPQUJRV-NRFANRHFSA-N -1 3 443.525 3.462 50 0 IGAAHM COc1ccc(OCCOc2ccc(C)cc2[C@H]2SC([N-]C(C)=O)=NN2C(C)=O)cc1 ZINC000020896348 524964106 /nfs/dbraw/zinc/96/41/06/524964106.db2.gz LCGHZEIGQRUIMR-OAQYLSRUSA-N -1 3 443.525 3.462 50 0 IGAAHM Cc1ccc(Nc2nc(N)nc(CN3CCC(C(=O)Nc4ccccc4[O-])CC3)n2)cc1 ZINC000012595109 525325465 /nfs/dbraw/zinc/32/54/65/525325465.db2.gz GEVJAQGYPHEICL-UHFFFAOYSA-N -1 3 433.516 3.062 50 0 IGAAHM C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000022391599 525510802 /nfs/dbraw/zinc/51/08/02/525510802.db2.gz KQQFYRIDWMISEY-ZDUSSCGKSA-N -1 3 442.463 3.006 50 0 IGAAHM C[C@@]1(CSc2ccccc2C(=O)N[C@H]2CCSc3ccccc32)NC(=O)[N-]C1=O ZINC000012896434 525856943 /nfs/dbraw/zinc/85/69/43/525856943.db2.gz MACCIHVJYCFHBO-BTYIYWSLSA-N -1 3 427.551 3.344 50 0 IGAAHM O=C(C(=C([O-])c1ccc(F)cc1)n1cc(Cl)ccc1=O)N(CCO)Cc1ccccc1 ZINC000012464244 526690585 /nfs/dbraw/zinc/69/05/85/526690585.db2.gz GEYZUAOCEMURNN-NRFANRHFSA-N -1 3 442.874 3.086 50 0 IGAAHM COc1ccc(N2C(=O)CC[C@@H](C(=O)[N-]C3=NCCS3)[C@@H]2c2ccccc2OC)cc1 ZINC000012972502 536658874 /nfs/dbraw/zinc/65/88/74/536658874.db2.gz SRIPPYVUVPUIKH-NQIIRXRSSA-N -1 3 439.537 3.407 50 0 IGAAHM CSCc1nnc([N-]C(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)o1 ZINC000002720233 556126554 /nfs/dbraw/zinc/12/65/54/556126554.db2.gz PMIRMJONPNYBQT-UHFFFAOYSA-N -1 3 440.591 3.488 50 0 IGAAHM Cn1c2cc(Cl)c(S(=O)(=O)[N-]CCOc3ccc4ccccc4c3)cc2oc1=O ZINC000008971567 556237671 /nfs/dbraw/zinc/23/76/71/556237671.db2.gz SUIDLILISLCHFM-UHFFFAOYSA-N -1 3 432.885 3.295 50 0 IGAAHM CCOc1ncccc1CNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000032787257 556349951 /nfs/dbraw/zinc/34/99/51/556349951.db2.gz FBNMZOQKXSJHTI-UHFFFAOYSA-N -1 3 444.340 3.158 50 0 IGAAHM CCn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032844518 556428793 /nfs/dbraw/zinc/42/87/93/556428793.db2.gz BNHKNABYTRIUBQ-UHFFFAOYSA-N -1 3 430.555 3.235 50 0 IGAAHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]Cc2ccnc(N3CCOCC3)c2)c1Cl ZINC000028054166 556442872 /nfs/dbraw/zinc/44/28/72/556442872.db2.gz XLPFDUBTGYUYNZ-UHFFFAOYSA-N -1 3 430.357 3.320 50 0 IGAAHM COc1ccc(C)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1 ZINC000013070582 556453288 /nfs/dbraw/zinc/45/32/88/556453288.db2.gz VDVSZUSARQDQCD-HNNXBMFYSA-N -1 3 438.933 3.367 50 0 IGAAHM Cc1[nH]c2ccc(C)cc2c1CC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000029077106 556466605 /nfs/dbraw/zinc/46/66/05/556466605.db2.gz QUPHRALTIKSNNA-UHFFFAOYSA-N -1 3 431.583 3.358 50 0 IGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC[C@@H]4CCCO4)CC3)cc2)cc1C ZINC000033115301 556554725 /nfs/dbraw/zinc/55/47/25/556554725.db2.gz HUVVFUFYBKXZQD-FQEVSTJZSA-N -1 3 428.554 3.431 50 0 IGAAHM COc1ccc(NC(=O)C[C@@H](CN2CCN(c3ccc(Cl)cc3)CC2)C(=O)[O-])cc1 ZINC000071283689 556559759 /nfs/dbraw/zinc/55/97/59/556559759.db2.gz MMJSTGFXDNTDON-INIZCTEOSA-N -1 3 431.920 3.200 50 0 IGAAHM O=C(CSc1nnc2[n-]c(=O)c(Cc3ccccc3)nn21)Nc1ccc(Cl)cc1 ZINC000015882048 556560791 /nfs/dbraw/zinc/56/07/91/556560791.db2.gz ROHHOECHCHAKOB-UHFFFAOYSA-N -1 3 426.889 3.200 50 0 IGAAHM COc1ccc(-c2nn3c(nnc3SCC(=O)Nc3cccc(Cl)c3)[n-]c2=O)cc1 ZINC000015882037 556560816 /nfs/dbraw/zinc/56/08/16/556560816.db2.gz DDWABFOBVPREFE-UHFFFAOYSA-N -1 3 442.888 3.285 50 0 IGAAHM CCc1ccc(NC(=O)CSc2nnc3[n-]c(=O)c(Cc4ccc(C)cc4)nn32)cc1 ZINC000015882073 556561346 /nfs/dbraw/zinc/56/13/46/556561346.db2.gz BIMHRSSSUXLMKD-UHFFFAOYSA-N -1 3 434.525 3.417 50 0 IGAAHM Cc1nc(-c2ccc3c(c2)CCN3C(=O)CCn2[n-]c(=O)c3ccccc3c2=O)cs1 ZINC000016277068 556596503 /nfs/dbraw/zinc/59/65/03/556596503.db2.gz HHSGNDVQBPYENX-UHFFFAOYSA-N -1 3 432.505 3.101 50 0 IGAAHM CCN(CC)C(=O)[C@@H]1CCCN(Cc2cc(I)c([O-])c(OC)c2)C1 ZINC000016662942 556621262 /nfs/dbraw/zinc/62/12/62/556621262.db2.gz UJDNIAVEGBLNDR-CQSZACIVSA-N -1 3 446.329 3.086 50 0 IGAAHM Cc1nn2c(ncc3c2ccn([N-]C(=O)c2ccncc2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397681 556639789 /nfs/dbraw/zinc/63/97/89/556639789.db2.gz HCHPIWJENRDQPP-UHFFFAOYSA-N -1 3 430.855 3.452 50 0 IGAAHM CC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000100739592 556658511 /nfs/dbraw/zinc/65/85/11/556658511.db2.gz AFWBWXQHEHEVKX-NVXWUHKLSA-N -1 3 446.688 3.426 50 0 IGAAHM Cc1cc(C)c([N-]S(=O)(=O)c2c(C)cc(N3C(=O)CCS3(=O)=O)cc2C)c(C)c1 ZINC000011858132 556663253 /nfs/dbraw/zinc/66/32/53/556663253.db2.gz CJQLVKAYOYSTIV-UHFFFAOYSA-N -1 3 436.555 3.096 50 0 IGAAHM COc1ccccc1CC[N-]S(=O)(=O)[C@H]1CON(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000248249138 556677541 /nfs/dbraw/zinc/67/75/41/556677541.db2.gz OFYGUPLPQAKTTG-OALUTQOASA-N -1 3 444.475 3.163 50 0 IGAAHM CC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)[N-]c3cccc(F)c3)cc21 ZINC000033129729 556868841 /nfs/dbraw/zinc/86/88/41/556868841.db2.gz LUXPFRGZQIIKMV-UHFFFAOYSA-N -1 3 431.533 3.347 50 0 IGAAHM O=C(C[C@H](c1ccccc1)c1cc(Br)ccc1[O-])NCCN1CCOCC1 ZINC000020029136 556968176 /nfs/dbraw/zinc/96/81/76/556968176.db2.gz VMWSSHLPOKCYIQ-GOSISDBHSA-N -1 3 433.346 3.125 50 0 IGAAHM Cc1nn(-c2ncccn2)c([N-]S(=O)(=O)c2ccc(C)cc2Cl)c1Br ZINC000097162350 556993958 /nfs/dbraw/zinc/99/39/58/556993958.db2.gz DTZFJYLWPMPOAC-UHFFFAOYSA-N -1 3 442.726 3.496 50 0 IGAAHM Cc1cc(C)c(C)c(S(=O)(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1C ZINC000010680055 557000643 /nfs/dbraw/zinc/00/06/43/557000643.db2.gz SOPQAMIPBGRDLB-UHFFFAOYSA-N -1 3 442.628 3.113 50 0 IGAAHM CSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)CC(=O)N2 ZINC000046073826 557030135 /nfs/dbraw/zinc/03/01/35/557030135.db2.gz AHCOIMUSEKHGPT-SSDOTTSWSA-N -1 3 432.811 3.229 50 0 IGAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C(F)(F)F)cc1)CC(=O)N2 ZINC000046074083 557030307 /nfs/dbraw/zinc/03/03/07/557030307.db2.gz RENFXVHNTPDNSE-NSHDSACASA-N -1 3 426.420 3.355 50 0 IGAAHM COc1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(Br)c1[O-] ZINC000022779363 557042572 /nfs/dbraw/zinc/04/25/72/557042572.db2.gz KQKNITOWGHVQOH-UHFFFAOYSA-N -1 3 435.318 3.210 50 0 IGAAHM Cc1noc(/C=C/c2ccc(S(=O)(=O)[N-]C[C@@H]3CCCO3)s2)c1NC(=O)C1CC1 ZINC000033306632 557085782 /nfs/dbraw/zinc/08/57/82/557085782.db2.gz NMROJXSDZHUNHJ-OWNNVSBGSA-N -1 3 437.543 3.021 50 0 IGAAHM Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccccc3F)cn2CC(=O)N2CCCC2)n1 ZINC000033307534 557086371 /nfs/dbraw/zinc/08/63/71/557086371.db2.gz UZDLRCXVPBDFHT-UHFFFAOYSA-N -1 3 448.545 3.482 50 0 IGAAHM COc1ccc(OCc2noc(C[N-]S(=O)(=O)c3ccc4c(c3)CCCC4)n2)cc1 ZINC000049027639 557088342 /nfs/dbraw/zinc/08/83/42/557088342.db2.gz MFNODUGCQLHDOK-UHFFFAOYSA-N -1 3 429.498 3.015 50 0 IGAAHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2F)cc1 ZINC000084847574 557099237 /nfs/dbraw/zinc/09/92/37/557099237.db2.gz MSFKCXKKEQSELC-UHFFFAOYSA-N -1 3 434.230 3.190 50 0 IGAAHM CCNC(=O)[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000011411538 557144129 /nfs/dbraw/zinc/14/41/29/557144129.db2.gz RZGAMCPWSCAISW-LLVKDONJSA-N -1 3 444.340 3.049 50 0 IGAAHM O=C(c1ccc(Br)cc1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011450497 557149078 /nfs/dbraw/zinc/14/90/78/557149078.db2.gz UVMCEQMCXPDNAT-UHFFFAOYSA-N -1 3 429.361 3.094 50 0 IGAAHM C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011451062 557149519 /nfs/dbraw/zinc/14/95/19/557149519.db2.gz WIHXAHFWEFHKCN-CYBMUJFWSA-N -1 3 428.963 3.138 50 0 IGAAHM CCOC(=O)[C@]([O-])(c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)C(F)(F)F ZINC000003158287 557168090 /nfs/dbraw/zinc/16/80/90/557168090.db2.gz AMQJVDMRQMCIBT-GOSISDBHSA-N -1 3 431.432 3.133 50 0 IGAAHM CCn1c(CC(=O)Nc2cccc(C)c2)nnc1SCC(=O)Nc1ccccc1[O-] ZINC000009615135 557192151 /nfs/dbraw/zinc/19/21/51/557192151.db2.gz UPBBWOGJBGTSOJ-UHFFFAOYSA-N -1 3 425.514 3.224 50 0 IGAAHM Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)s2)c([O-])c1 ZINC000025170190 557198317 /nfs/dbraw/zinc/19/83/17/557198317.db2.gz JCUFSMYKEZPDCG-LBPRGKRZSA-N -1 3 445.360 3.316 50 0 IGAAHM CCOc1ccc(Oc2ccccc2NC(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)cc1 ZINC000025599539 557218331 /nfs/dbraw/zinc/21/83/31/557218331.db2.gz DUNNSWZHTIXMOG-UHFFFAOYSA-N -1 3 432.436 3.065 50 0 IGAAHM CCS(=O)(=O)N1CCc2cc(C(=O)CSc3n[n-]c(-c4cccs4)n3)ccc21 ZINC000025606780 557218693 /nfs/dbraw/zinc/21/86/93/557218693.db2.gz YRUHQWWJULDGNA-UHFFFAOYSA-N -1 3 434.568 3.220 50 0 IGAAHM COc1ccc(N2C(=O)C(=Cc3cc(Br)c([O-])c(OC)c3)NC2=S)cc1 ZINC000100259843 557256036 /nfs/dbraw/zinc/25/60/36/557256036.db2.gz BBFQSBFWIUYMPP-ZSOIEALJSA-N -1 3 435.299 3.434 50 0 IGAAHM COc1ccccc1NC(=O)CSc1nc2[n-]ncc2c(=O)n1-c1ccc(F)c(F)c1 ZINC000051316770 557465467 /nfs/dbraw/zinc/46/54/67/557465467.db2.gz SYLIOYJXUDYXFQ-UHFFFAOYSA-N -1 3 443.435 3.126 50 0 IGAAHM COc1ccccc1NC(=O)CSc1nc2n[n-]cc2c(=O)n1-c1ccc(F)c(F)c1 ZINC000051316770 557465469 /nfs/dbraw/zinc/46/54/69/557465469.db2.gz SYLIOYJXUDYXFQ-UHFFFAOYSA-N -1 3 443.435 3.126 50 0 IGAAHM CCN(CC)C(=O)c1ccc(NC(=O)[C@H]([N-]S(=O)(=O)c2cccs2)C(C)C)cc1 ZINC000024985907 557828944 /nfs/dbraw/zinc/82/89/44/557828944.db2.gz STKJQAJEZTZRTN-GOSISDBHSA-N -1 3 437.587 3.172 50 0 IGAAHM O=C(NCc1cccs1)[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000004034774 562940884 /nfs/dbraw/zinc/94/08/84/562940884.db2.gz AWQXSYUBSOGEQL-KRWDZBQOSA-N -1 3 444.563 3.089 50 0 IGAAHM Cc1ccc(NC(=O)COC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000008881862 562965749 /nfs/dbraw/zinc/96/57/49/562965749.db2.gz NSYWFQWVBJOUSA-UHFFFAOYSA-N -1 3 445.324 3.152 50 0 IGAAHM C[C@@H](OC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000084037507 568790142 /nfs/dbraw/zinc/79/01/42/568790142.db2.gz AXAZOMHSJHKDMP-JBEBIEQOSA-N -1 3 437.496 3.223 50 0 IGAAHM O=S(=O)([N-]CCc1csc2nc(-c3cccc(F)c3)nn12)c1ccc(F)cc1F ZINC000015783994 568826800 /nfs/dbraw/zinc/82/68/00/568826800.db2.gz NJZMGUCIRVDQDN-UHFFFAOYSA-N -1 3 438.456 3.396 50 0 IGAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCSCc1ccccc1F ZINC000013011567 568901178 /nfs/dbraw/zinc/90/11/78/568901178.db2.gz UASDIFPSLMOVPZ-KRWDZBQOSA-N -1 3 430.592 3.240 50 0 IGAAHM O=S(=O)([N-]CCc1nnc(Cc2cccc(F)c2)[nH]1)c1ccccc1C(F)(F)F ZINC000064969749 569076211 /nfs/dbraw/zinc/07/62/11/569076211.db2.gz UGMVYRLNXLFWPJ-UHFFFAOYSA-N -1 3 428.411 3.074 50 0 IGAAHM COCC[N-]S(=O)(=O)c1ccc(-c2ccc(C(=O)NCc3ccc(F)cc3)cc2)s1 ZINC000064999739 569086265 /nfs/dbraw/zinc/08/62/65/569086265.db2.gz AKWLTGSTSLMMRW-UHFFFAOYSA-N -1 3 448.541 3.409 50 0 IGAAHM O=C(c1nnc(-c2csc(S(=O)(=O)[N-]C3CCCCCC3)c2)o1)N1CCCCC1 ZINC000065098914 569104381 /nfs/dbraw/zinc/10/43/81/569104381.db2.gz LEJPYZXHNZQPIC-UHFFFAOYSA-N -1 3 438.575 3.425 50 0 IGAAHM COc1cc2c(cc1OC)[C@H](NC(=O)COc1cc([O-])c3c(c1)OC(C)(C)CC3=O)CC2 ZINC000524730542 569126103 /nfs/dbraw/zinc/12/61/03/569126103.db2.gz MTPMWJCHHYYYNB-MRXNPFEDSA-N -1 3 441.480 3.336 50 0 IGAAHM O=S(=O)([N-]C[C@@](O)(c1ccoc1)c1cccs1)c1ccc(Br)s1 ZINC000240068174 569140530 /nfs/dbraw/zinc/14/05/30/569140530.db2.gz SLTQDFFWDLQYCH-CQSZACIVSA-N -1 3 434.358 3.380 50 0 IGAAHM CC[C@@]1(CO)CCCN(C(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)C1 ZINC000170601374 569143104 /nfs/dbraw/zinc/14/31/04/569143104.db2.gz IBOYQIPUYYYNPI-GOSISDBHSA-N -1 3 435.373 3.059 50 0 IGAAHM COc1cccc(NC(=O)C[C@@H](CN2CCN(Cc3cccc(Cl)c3)CC2)C(=O)[O-])c1 ZINC000071283497 569150627 /nfs/dbraw/zinc/15/06/27/569150627.db2.gz KDKDXILTUGMCFL-SFHVURJKSA-N -1 3 445.947 3.196 50 0 IGAAHM CCOC(=O)[C@]([N-]S(=O)(=O)c1ccc(C)cc1)(OCc1ccc(F)cc1)C(F)(F)F ZINC000002275522 569217846 /nfs/dbraw/zinc/21/78/46/569217846.db2.gz CECSWBBUECDASC-SFHVURJKSA-N -1 3 449.422 3.451 50 0 IGAAHM COC(=O)[C@]([N-]c1nc2c(s1)CCCC2)(NC(=O)c1cccc(F)c1)C(F)(F)F ZINC000002284534 569263756 /nfs/dbraw/zinc/26/37/56/569263756.db2.gz JTUGFMKHKUNYHL-QGZVFWFLSA-N -1 3 431.411 3.435 50 0 IGAAHM CCC(CC)C(=O)N1CCC(c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)CC1 ZINC000013083153 569309296 /nfs/dbraw/zinc/30/92/96/569309296.db2.gz QJSLVRIGASJWJS-UHFFFAOYSA-N -1 3 426.496 3.257 50 0 IGAAHM Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000328591627 569317037 /nfs/dbraw/zinc/31/70/37/569317037.db2.gz BJOHHDPNZIVNAA-KRWDZBQOSA-N -1 3 434.924 3.142 50 0 IGAAHM COC(=O)C[C@H](c1cnn(C)c1)c1oc(CSc2cccc(OC)c2)cc(=O)c1[O-] ZINC000095477596 569373405 /nfs/dbraw/zinc/37/34/05/569373405.db2.gz WGSKXUVUYOOOMF-QGZVFWFLSA-N -1 3 430.482 3.075 50 0 IGAAHM COc1cc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)cc(OC)c1O ZINC000096223087 569387368 /nfs/dbraw/zinc/38/73/68/569387368.db2.gz JCJUQJYFDJWLDP-SGTLLEGYSA-N -1 3 449.529 3.216 50 0 IGAAHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000030032269 569440545 /nfs/dbraw/zinc/44/05/45/569440545.db2.gz AUHRNMJLFXVVFM-UHFFFAOYSA-N -1 3 432.299 3.182 50 0 IGAAHM CSCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccco1 ZINC000003447236 569451429 /nfs/dbraw/zinc/45/14/29/569451429.db2.gz JBSPZNQEPMKRCC-HNNXBMFYSA-N -1 3 437.370 3.303 50 0 IGAAHM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(Cc4ncc(C)c(OC)c4C)CC3)c2c1 ZINC000031807946 569457634 /nfs/dbraw/zinc/45/76/34/569457634.db2.gz MWNBAXPPCYUPRS-JOCHJYFZSA-N -1 3 438.528 3.140 50 0 IGAAHM CSCC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1nnc2ccccn21 ZINC000009130039 569505894 /nfs/dbraw/zinc/50/58/94/569505894.db2.gz HKQIYBOSHUWWET-LBPRGKRZSA-N -1 3 432.358 3.204 50 0 IGAAHM CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]CCc3ccccc3)cc21 ZINC000040450265 569506259 /nfs/dbraw/zinc/50/62/59/569506259.db2.gz RVTFIWRZQJBEJS-UHFFFAOYSA-N -1 3 437.359 3.269 50 0 IGAAHM Cc1ccccc1C(=O)N1CCC(c2nc3c(nnn3Cc3ccccc3F)c(=O)[n-]2)CC1 ZINC000009202132 569511238 /nfs/dbraw/zinc/51/12/38/569511238.db2.gz FJNDNDWJMCLZRU-UHFFFAOYSA-N -1 3 446.486 3.443 50 0 IGAAHM CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000009255825 569516662 /nfs/dbraw/zinc/51/66/62/569516662.db2.gz YBPCXJBRJKQCFZ-UHFFFAOYSA-N -1 3 444.944 3.239 50 0 IGAAHM O=c1cc(Cc2nnc(SCc3ccc(F)cc3)n2-c2ccc(Cl)cc2)[nH]c(=O)[n-]1 ZINC000009382095 569528216 /nfs/dbraw/zinc/52/82/16/569528216.db2.gz ZETLSEJWMCZAQJ-UHFFFAOYSA-N -1 3 443.891 3.320 50 0 IGAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000009683011 569560283 /nfs/dbraw/zinc/56/02/83/569560283.db2.gz RZEHNRKFMPYXKA-FQEVSTJZSA-N -1 3 437.546 3.377 50 0 IGAAHM O=C(NC1CCCCC1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000009692397 569561091 /nfs/dbraw/zinc/56/10/91/569561091.db2.gz FFPGIDFCJQXLKI-SFHVURJKSA-N -1 3 444.582 3.030 50 0 IGAAHM CCOC(=O)c1ccc(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000009716089 569563167 /nfs/dbraw/zinc/56/31/67/569563167.db2.gz RZEHLQWOTXBPPR-UHFFFAOYSA-N -1 3 449.492 3.429 50 0 IGAAHM COc1ccccc1N1CCN(C[C@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)[O-])CC1 ZINC000071279618 569573558 /nfs/dbraw/zinc/57/35/58/569573558.db2.gz LRMBFGPOAHJZSU-INIZCTEOSA-N -1 3 431.920 3.200 50 0 IGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cc(C)ccc1N(Cc1ccccc1Cl)C2=O ZINC000009925796 569573640 /nfs/dbraw/zinc/57/36/40/569573640.db2.gz BGJLGUXTKLCKSU-NRFANRHFSA-N -1 3 442.928 3.350 50 0 IGAAHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 ZINC000077100747 569585502 /nfs/dbraw/zinc/58/55/02/569585502.db2.gz KPUDUMRGRCNZDU-HUUCEWRRSA-N -1 3 438.527 3.373 50 0 IGAAHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1C ZINC000009529572 132320679 /nfs/dbraw/zinc/32/06/79/132320679.db2.gz ADUHTDFSLOMHKX-UHFFFAOYSA-N -1 3 440.525 3.098 50 0 IGAAHM CCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cc(C)c(OC)c(C)c3)cc21 ZINC000012180663 521664934 /nfs/dbraw/zinc/66/49/34/521664934.db2.gz HRZVQKYJASPVES-UHFFFAOYSA-N -1 3 438.571 3.215 50 0 IGAAHM CCNC(=O)[C@@H]1CCCN1C(=O)c1cccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000021662574 521744734 /nfs/dbraw/zinc/74/47/34/521744734.db2.gz YQVYZUCUEYSGFD-FQEVSTJZSA-N -1 3 443.569 3.153 50 0 IGAAHM CCc1ccccc1Nc1nc(N)nc(CN2CCC(C(=O)Nc3ccccc3[O-])CC2)n1 ZINC000012736901 521911503 /nfs/dbraw/zinc/91/15/03/521911503.db2.gz MAQXERVJYUJPNK-UHFFFAOYSA-N -1 3 447.543 3.316 50 0 IGAAHM COc1cc(Nc2ccc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)nc(C)n1 ZINC000012226142 522765839 /nfs/dbraw/zinc/76/58/39/522765839.db2.gz XLHGQCTWWKUGHJ-UHFFFAOYSA-N -1 3 427.486 3.296 50 0 IGAAHM COc1cc(OC)c(NC(=O)[C@@H]([N-]S(=O)(=O)c2cccs2)C(C)C)cc1Cl ZINC000021052030 522809738 /nfs/dbraw/zinc/80/97/38/522809738.db2.gz BLZVSIGTMWMUSE-INIZCTEOSA-N -1 3 432.951 3.360 50 0 IGAAHM COc1cc([C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OCCOc1ccc(C)cc1 ZINC000020895365 522931628 /nfs/dbraw/zinc/93/16/28/522931628.db2.gz UAAJCEKZLWEHKX-NRFANRHFSA-N -1 3 443.525 3.462 50 0 IGAAHM CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1nnc([N-]C(=O)c2cccs2)s1 ZINC000020565386 523228333 /nfs/dbraw/zinc/22/83/33/523228333.db2.gz VMDKQIMDIUVDOR-UHFFFAOYSA-N -1 3 428.948 3.326 50 0 IGAAHM Cc1ccc(CN2CCc3nc(SCC(=O)NCCc4ccccc4)[n-]c(=O)c3C2)cc1 ZINC000020467781 524477725 /nfs/dbraw/zinc/47/77/25/524477725.db2.gz BRULXAWYXGTCMW-UHFFFAOYSA-N -1 3 448.592 3.500 50 0 IGAAHM Cc1ccc(CNC(=O)CSc2nc3c(c(=O)[n-]2)CN(Cc2ccccc2)CC3)cc1 ZINC000021810302 524508901 /nfs/dbraw/zinc/50/89/01/524508901.db2.gz IARPGJQGCGTFCG-UHFFFAOYSA-N -1 3 434.565 3.457 50 0 IGAAHM CSCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccnc1 ZINC000015435629 525555499 /nfs/dbraw/zinc/55/54/99/525555499.db2.gz PMPGGGCNVPYDQI-OAHLLOKOSA-N -1 3 434.370 3.427 50 0 IGAAHM Cc1nc(N2CCOCC2)ncc1-c1cc(=O)[n-]c(Nc2ccc(Cl)cc2Cl)n1 ZINC000035655385 526971523 /nfs/dbraw/zinc/97/15/23/526971523.db2.gz GKPGGMNAINVGOU-UHFFFAOYSA-N -1 3 433.299 3.422 50 0 IGAAHM O=C1CS[C@H](c2ccccc2)N1N=c1nc(N2CCCCC2)nc(N2CCCCC2)[n-]1 ZINC000001029818 527016658 /nfs/dbraw/zinc/01/66/58/527016658.db2.gz BMHIHAWGPRMTDW-LJQANCHMSA-N -1 3 439.589 3.453 50 0 IGAAHM CCOC(=O)c1ccc(NC(=O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000000665562 555528313 /nfs/dbraw/zinc/52/83/13/555528313.db2.gz BPONMRQMTCEXBT-UHFFFAOYSA-N -1 3 431.297 3.087 50 0 IGAAHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3cccnc3)cc2)c1 ZINC000001072921 555622211 /nfs/dbraw/zinc/62/22/11/555622211.db2.gz SUIUQIATKJHWOB-UHFFFAOYSA-N -1 3 425.510 3.194 50 0 IGAAHM CCN(c1ccc([C@@]([O-])(C(=O)OC)C(F)(F)F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000003062710 556187178 /nfs/dbraw/zinc/18/71/78/556187178.db2.gz SVSJUNZYYITEBY-GOSISDBHSA-N -1 3 431.432 3.133 50 0 IGAAHM CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c([O-])c(OC)c2)C1=O ZINC000009261083 556269014 /nfs/dbraw/zinc/26/90/14/556269014.db2.gz MGRKFGKYPUJTQX-OTIXFSKASA-N -1 3 430.276 3.151 50 0 IGAAHM CC(=O)c1sc2[n-]c(CSc3nnc(NC[C@@H]4CCCO4)s3)nc(=O)c2c1C ZINC000012975895 556421599 /nfs/dbraw/zinc/42/15/99/556421599.db2.gz MNTUMWZMJXLKQB-JTQLQIEISA-N -1 3 437.572 3.230 50 0 IGAAHM CC(=O)c1sc2[n-]c(CSc3nnc(NC[C@H]4CCCO4)s3)nc(=O)c2c1C ZINC000012975898 556421646 /nfs/dbraw/zinc/42/16/46/556421646.db2.gz MNTUMWZMJXLKQB-SNVBAGLBSA-N -1 3 437.572 3.230 50 0 IGAAHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@@H](c3ccc(OC)cc3)C3CC3)cc(C3CC3)nc21 ZINC000030253319 556492098 /nfs/dbraw/zinc/49/20/98/556492098.db2.gz SLNCXPDREYLKJF-OAQYLSRUSA-N -1 3 448.523 3.262 50 0 IGAAHM Cc1nc(-c2ccccc2)[n-]c(=O)c1CCC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000030399242 556493987 /nfs/dbraw/zinc/49/39/87/556493987.db2.gz BHUCBKHVGGFDTK-UHFFFAOYSA-N -1 3 430.508 3.121 50 0 IGAAHM O=C(CSc1nnc2[n-]c(=O)c(Cc3ccccc3)nn21)Nc1cccc(Cl)c1 ZINC000015882047 556560920 /nfs/dbraw/zinc/56/09/20/556560920.db2.gz MTEIRQYETLSGAG-UHFFFAOYSA-N -1 3 426.889 3.200 50 0 IGAAHM O=C1[N-]C(=O)C(CCc2ccccn2)(CCc2ccccn2)C(=O)N1Cc1ccccc1 ZINC000016448705 556608718 /nfs/dbraw/zinc/60/87/18/556608718.db2.gz KJWGJJGZLLRFDO-UHFFFAOYSA-N -1 3 428.492 3.307 50 0 IGAAHM CC(C)NC(=O)c1cccc(-c2noc(C[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c1 ZINC000032996583 556612139 /nfs/dbraw/zinc/61/21/39/556612139.db2.gz IUBXZJYTDAUGIJ-UHFFFAOYSA-N -1 3 434.905 3.007 50 0 IGAAHM CC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000100740480 556659684 /nfs/dbraw/zinc/65/96/84/556659684.db2.gz CWNCITDUXXKSFA-NVXWUHKLSA-N -1 3 446.688 3.426 50 0 IGAAHM C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000033024178 556694898 /nfs/dbraw/zinc/69/48/98/556694898.db2.gz XQCMXNPTLPRRRS-CQSZACIVSA-N -1 3 431.489 3.040 50 0 IGAAHM COc1ccc(-c2cc(C(=O)N3NC4=C(CCCC4)[C@@]3([O-])C(F)(F)F)[nH]n2)cc1OC ZINC000033027866 556708086 /nfs/dbraw/zinc/70/80/86/556708086.db2.gz DCTMRWZIHFZGMF-CWTRNNRKSA-N -1 3 438.406 3.347 50 0 IGAAHM CC[C@H](C)NC(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000033033961 556715560 /nfs/dbraw/zinc/71/55/60/556715560.db2.gz YPWNFRHWJJKGBQ-SFHVURJKSA-N -1 3 444.601 3.042 50 0 IGAAHM Cc1cc(Br)cc2c1[n-]cc(C(=O)Nc1cc(C(N)=O)cc(F)c1C)c2=O ZINC000058079887 556756778 /nfs/dbraw/zinc/75/67/78/556756778.db2.gz OQEUWEYBZLAKPR-UHFFFAOYSA-N -1 3 432.249 3.398 50 0 IGAAHM CCc1cc2c(CN3CCN(Cc4ccc(OC)c(OC)c4)CC3)cc(=O)oc2cc1[O-] ZINC000019540681 556794439 /nfs/dbraw/zinc/79/44/39/556794439.db2.gz WABFWWOUNWWVQO-UHFFFAOYSA-N -1 3 438.524 3.396 50 0 IGAAHM C[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)OCc1c(Cl)cccc1Cl ZINC000003305361 556809227 /nfs/dbraw/zinc/80/92/27/556809227.db2.gz UQEAGWFOMRQUSB-VIFPVBQESA-N -1 3 446.337 3.408 50 0 IGAAHM CC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc21 ZINC000033129730 556868875 /nfs/dbraw/zinc/86/88/75/556868875.db2.gz UGLPYPVYXKAPCC-UHFFFAOYSA-N -1 3 431.533 3.347 50 0 IGAAHM O=C(Nc1cccc(F)c1)C1CC(=O)Nc2nc(SCCc3ccccc3)[n-]c(=O)c21 ZINC000046074324 557030343 /nfs/dbraw/zinc/03/03/43/557030343.db2.gz LLGKJTBRHBKUJK-INIZCTEOSA-N -1 3 438.484 3.308 50 0 IGAAHM O=C(Nc1ccccc1F)C1CC(=O)Nc2nc(SCCc3ccccc3)[n-]c(=O)c21 ZINC000046074318 557030351 /nfs/dbraw/zinc/03/03/51/557030351.db2.gz LSNSQPAKSSTICV-AWEZNQCLSA-N -1 3 438.484 3.308 50 0 IGAAHM Cc1cc(CN2CCN(Cc3nc(=O)c4c(-c5cccs5)csc4[n-]3)CC2)no1 ZINC000023248509 557078197 /nfs/dbraw/zinc/07/81/97/557078197.db2.gz RIYIOSKXIBYEHP-UHFFFAOYSA-N -1 3 427.555 3.327 50 0 IGAAHM CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000017821702 557124370 /nfs/dbraw/zinc/12/43/70/557124370.db2.gz VCFSAPQHUUBITR-DOTOQJQBSA-N -1 3 432.263 3.291 50 0 IGAAHM Cc1ccc(-c2csc3[n-]c(CN4Cc5ccccc5C[C@@H]4C(N)=O)nc(=O)c23)s1 ZINC000023994804 557130966 /nfs/dbraw/zinc/13/09/66/557130966.db2.gz CCYFTMDBFUVKRO-MRXNPFEDSA-N -1 3 436.562 3.434 50 0 IGAAHM CC(=O)c1[n-]n(-c2cccc(C)c2)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000100892215 557198575 /nfs/dbraw/zinc/19/85/75/557198575.db2.gz YPSNHKWROGBUBO-SJLPKXTDSA-N -1 3 426.270 3.081 50 0 IGAAHM COc1ccc(C2=NOC3=C([O-])N(c4ccc(C)cc4Br)C(=O)[C@H]23)cc1OC ZINC000101310441 557271798 /nfs/dbraw/zinc/27/17/98/557271798.db2.gz DKRPKERPYQBJLG-AEFFLSMTSA-N -1 3 445.269 3.067 50 0 IGAAHM CCc1cccc2c(C(=O)COC(=O)C[N-]S(=O)(=O)C=Cc3ccccc3)c[nH]c21 ZINC000033500490 557402478 /nfs/dbraw/zinc/40/24/78/557402478.db2.gz DABUANVGWWDJLZ-QXMHVHEDSA-N -1 3 426.494 3.047 50 0 IGAAHM COc1ccc(-c2nc(CSc3nc4c(nc(C)[n-]c4=O)n3C)c(C)o2)c(OC)c1 ZINC000085746622 557497455 /nfs/dbraw/zinc/49/74/55/557497455.db2.gz HQFIREFWFMZWAK-UHFFFAOYSA-N -1 3 427.486 3.238 50 0 IGAAHM CC(C)(CC(=O)N1CCN(c2ccccc2)CC1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000225829109 557782274 /nfs/dbraw/zinc/78/22/74/557782274.db2.gz PWIRDIAAXWNBQF-UHFFFAOYSA-N -1 3 442.006 3.197 50 0 IGAAHM CCOc1ccc(NC(=O)CC[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000008828452 562964452 /nfs/dbraw/zinc/96/44/52/562964452.db2.gz WIXCMNPAVVONGA-UHFFFAOYSA-N -1 3 433.349 3.216 50 0 IGAAHM COc1cc(NC(=O)COc2cc([O-])c3c(c2)OC(C)(C)CC3=O)cc(OC)c1OC ZINC000008877163 562965590 /nfs/dbraw/zinc/96/55/90/562965590.db2.gz UZRJRZXGUYBCGF-UHFFFAOYSA-N -1 3 431.441 3.179 50 0 IGAAHM Cc1c(NC(=O)[C@H](C)Sc2n[n-]c(-c3cccs3)n2)c(=O)n(-c2ccccc2)n1C ZINC000015227785 568735115 /nfs/dbraw/zinc/73/51/15/568735115.db2.gz IRHXYOLXZNMKBW-ZDUSSCGKSA-N -1 3 440.554 3.450 50 0 IGAAHM COc1ccc(OC)c(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)c1 ZINC000015865785 568850597 /nfs/dbraw/zinc/85/05/97/568850597.db2.gz TUKJOHLCCDAJPW-SFHVURJKSA-N -1 3 446.550 3.294 50 0 IGAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)c(OC)c1 ZINC000239432896 568911503 /nfs/dbraw/zinc/91/15/03/568911503.db2.gz WVDKNKYAZHNKRD-XPWALMASSA-N -1 3 446.459 3.461 50 0 IGAAHM COCCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)nc1 ZINC000065063426 569097994 /nfs/dbraw/zinc/09/79/94/569097994.db2.gz MJEHJNONVZWGHL-UHFFFAOYSA-N -1 3 441.509 3.359 50 0 IGAAHM O=C(Nc1ccc(-n2cccn2)c(F)c1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000065625208 569140385 /nfs/dbraw/zinc/14/03/85/569140385.db2.gz ZKODXJAJGVXBDM-UHFFFAOYSA-N -1 3 449.533 3.048 50 0 IGAAHM COc1cccc(NC(=O)C[C@H](CN2CCN(Cc3cccc(Cl)c3)CC2)C(=O)[O-])c1 ZINC000071283498 569150702 /nfs/dbraw/zinc/15/07/02/569150702.db2.gz KDKDXILTUGMCFL-GOSISDBHSA-N -1 3 445.947 3.196 50 0 IGAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H](C)N3CCSCC3)ccc2C)cc1 ZINC000089651317 569160622 /nfs/dbraw/zinc/16/06/22/569160622.db2.gz DINSNPZQCQUOEH-INIZCTEOSA-N -1 3 449.598 3.180 50 0 IGAAHM Cc1cccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCc2cccc(Cl)c2)c1 ZINC000017135599 569174405 /nfs/dbraw/zinc/17/44/05/569174405.db2.gz RHWZAVNNSZAONC-UHFFFAOYSA-N -1 3 439.928 3.489 50 0 IGAAHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)NCc1ccccn1 ZINC000006244927 569178324 /nfs/dbraw/zinc/17/83/24/569178324.db2.gz ATKXNYCYBPSCOP-UHFFFAOYSA-N -1 3 431.901 3.231 50 0 IGAAHM Cc1ccc(N2C(=O)N[C@@]([N-]S(=O)(=O)c3ccc(Cl)cc3)(C(F)(F)F)C2=O)cc1 ZINC000002380147 569290182 /nfs/dbraw/zinc/29/01/82/569290182.db2.gz NTZSVLAYNXQSSX-INIZCTEOSA-N -1 3 447.822 3.146 50 0 IGAAHM O=C(CCCNC(=O)c1ccc2n[n-]nc2c1)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000079097235 569325340 /nfs/dbraw/zinc/32/53/40/569325340.db2.gz MARSKXZVSKRPJQ-UHFFFAOYSA-N -1 3 437.891 3.005 50 0 IGAAHM CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O ZINC000020102572 569333925 /nfs/dbraw/zinc/33/39/25/569333925.db2.gz BKPWIKQNMCCEGB-LJQANCHMSA-N -1 3 436.581 3.142 50 0 IGAAHM COc1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)c(OC)c1 ZINC000020116370 569335169 /nfs/dbraw/zinc/33/51/69/569335169.db2.gz AHTYYYJSVMHPGA-SFHVURJKSA-N -1 3 446.550 3.294 50 0 IGAAHM O=C1c2cc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)ccc2OCC[C@@H]2CCCCN12 ZINC000096025905 569380764 /nfs/dbraw/zinc/38/07/64/569380764.db2.gz SSBKRTIUXNZPRY-KRWDZBQOSA-N -1 3 428.510 3.200 50 0 IGAAHM CN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc([O-])c(I)c2)N3)C1 ZINC000008836903 569478141 /nfs/dbraw/zinc/47/81/41/569478141.db2.gz AGNYPNLUNNXBIL-CQSZACIVSA-N -1 3 441.294 3.475 50 0 IGAAHM COc1cc(OC)c(C(=O)OCc2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1OC ZINC000003358279 569447676 /nfs/dbraw/zinc/44/76/76/569447676.db2.gz HPPFYGNEZCJWAA-UHFFFAOYSA-N -1 3 430.482 3.246 50 0 IGAAHM O=C(NCc1ccccc1OC(F)F)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000031104753 569453617 /nfs/dbraw/zinc/45/36/17/569453617.db2.gz HDPCEKXSUBZUPQ-UHFFFAOYSA-N -1 3 445.513 3.002 50 0 IGAAHM COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(Cc4ncc(C)c(OC)c4C)CC3)c2c1 ZINC000031807950 569457596 /nfs/dbraw/zinc/45/75/96/569457596.db2.gz MWNBAXPPCYUPRS-QFIPXVFZSA-N -1 3 438.528 3.140 50 0 IGAAHM O=S(=O)([N-]C[C@@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1)c1cccs1 ZINC000008968190 569491842 /nfs/dbraw/zinc/49/18/42/569491842.db2.gz DOTNLRLEGUPLBS-AWEZNQCLSA-N -1 3 431.557 3.442 50 0 IGAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1cccc(Br)c1 ZINC000009528475 569544736 /nfs/dbraw/zinc/54/47/36/569544736.db2.gz BQOGXWJTLWSPGI-HNNXBMFYSA-N -1 3 431.377 3.130 50 0 IGAAHM COc1ccc(C[N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(OC)cc3)cs2)cc1 ZINC000040158842 569494561 /nfs/dbraw/zinc/49/45/61/569494561.db2.gz CZDSIMLHPMLPLW-UHFFFAOYSA-N -1 3 446.550 3.174 50 0 IGAAHM CC(C)c1cc([N-]C(=O)COC(=O)c2ccccc2SCC(=O)N2CCCC2)on1 ZINC000009255381 569516541 /nfs/dbraw/zinc/51/65/41/569516541.db2.gz FMTZLHUDKROBFI-UHFFFAOYSA-N -1 3 431.514 3.308 50 0 IGAAHM C[C@H](OC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000009367496 569526445 /nfs/dbraw/zinc/52/64/45/569526445.db2.gz PYRFJSNZDXPLQA-NSHDSACASA-N -1 3 431.388 3.385 50 0 IGAAHM O=c1cc(Cc2nnc(SCc3ccccc3F)n2-c2ccc(Cl)cc2)[nH]c(=O)[n-]1 ZINC000009382492 569528305 /nfs/dbraw/zinc/52/83/05/569528305.db2.gz FUVOWFVBTHDSAT-UHFFFAOYSA-N -1 3 443.891 3.320 50 0 IGAAHM CCN(c1ccc(OC)cc1)S(=O)(=O)c1nnc([N-]C(=O)c2ccccc2F)s1 ZINC000009405039 569529779 /nfs/dbraw/zinc/52/97/79/569529779.db2.gz MMJVGTROQIXYEI-UHFFFAOYSA-N -1 3 436.490 3.153 50 0 IGAAHM COc1ccccc1C(=O)COC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000009467012 569538317 /nfs/dbraw/zinc/53/83/17/569538317.db2.gz JJNNEMBGZXKPCL-LLVKDONJSA-N -1 3 446.308 3.095 50 0 IGAAHM CCSc1nnc([N-]C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)s1 ZINC000009821224 569569467 /nfs/dbraw/zinc/56/94/67/569569467.db2.gz QTVKZGGXWDOPHX-UHFFFAOYSA-N -1 3 431.520 3.280 50 0 IGAAHM Cc1ccc(-n2ncc3c2ncn([N-]C(=O)c2ccccc2Br)c3=O)cc1C ZINC000010252035 569579872 /nfs/dbraw/zinc/57/98/72/569579872.db2.gz UHEUWXUEAHJESD-UHFFFAOYSA-N -1 3 438.285 3.345 50 0 IGAAHM CCOC([O-])=NC(=O)COC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 ZINC000009603293 132323170 /nfs/dbraw/zinc/32/31/70/132323170.db2.gz KNMCAUJMCFGWJL-OXQOHEQNSA-N -1 3 444.509 3.357 50 0 IGAAHM CCOC(=O)[N-]C(=O)COC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 ZINC000009603293 132323171 /nfs/dbraw/zinc/32/31/71/132323171.db2.gz KNMCAUJMCFGWJL-OXQOHEQNSA-N -1 3 444.509 3.357 50 0 IGAAHM CCOC([O-])=NC(=O)COC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 ZINC000009603288 132323185 /nfs/dbraw/zinc/32/31/85/132323185.db2.gz KNMCAUJMCFGWJL-JXFKEZNVSA-N -1 3 444.509 3.357 50 0 IGAAHM CCOC(=O)[N-]C(=O)COC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 ZINC000009603288 132323186 /nfs/dbraw/zinc/32/31/86/132323186.db2.gz KNMCAUJMCFGWJL-JXFKEZNVSA-N -1 3 444.509 3.357 50 0 IGAAHM CC(=O)Nc1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000021651530 519725475 /nfs/dbraw/zinc/72/54/75/519725475.db2.gz VNOXLYBJDJQRND-IBGZPJMESA-N -1 3 443.550 3.235 50 0 IGAAHM CCOC(=O)C1CCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2cccc(OC)c2)CC1 ZINC000022853532 520582559 /nfs/dbraw/zinc/58/25/59/520582559.db2.gz CDBDAZZOVGIHNF-GOSISDBHSA-N -1 3 444.557 3.432 50 0 IGAAHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)ccc2C)cc1 ZINC000012521334 521130956 /nfs/dbraw/zinc/13/09/56/521130956.db2.gz MIFZOMQGHBFLTA-CALCHBBNSA-N -1 3 432.542 3.444 50 0 IGAAHM CC[C@H](C)Cc1c(C)sc2[n-]c(COC(=O)c3ccc(-n4cnnn4)cc3)nc(=O)c12 ZINC000022357374 523905741 /nfs/dbraw/zinc/90/57/41/523905741.db2.gz XQHUQFBYXPYXDY-LBPRGKRZSA-N -1 3 438.513 3.214 50 0 IGAAHM CNC(=O)[C@@H]1CN(Cc2nc(=O)c3c(-c4cccs4)csc3[n-]2)c2ccccc2O1 ZINC000012562268 524088113 /nfs/dbraw/zinc/08/81/13/524088113.db2.gz AJXXZWDIEJDFBJ-HNNXBMFYSA-N -1 3 438.534 3.227 50 0 IGAAHM O=C1c2cccnc2C(=O)N1Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000020935758 527136977 /nfs/dbraw/zinc/13/69/77/527136977.db2.gz AREUKZCVDIWFSW-UHFFFAOYSA-N -1 3 447.394 3.096 50 0 IGAAHM CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc(Br)c1[O-] ZINC000000981654 555593717 /nfs/dbraw/zinc/59/37/17/555593717.db2.gz AZMPOZLIBVZMOR-OTIXFSKASA-N -1 3 430.276 3.151 50 0 IGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000001113811 555633171 /nfs/dbraw/zinc/63/31/71/555633171.db2.gz SWYNZYOLTMEVKI-UHFFFAOYSA-N -1 3 449.488 3.031 50 0 IGAAHM COc1cccc(CCc2ccccc2OC[C@H](CN(C)C)OC(=O)CCC(=O)[O-])c1 ZINC000003798720 555946665 /nfs/dbraw/zinc/94/66/65/555946665.db2.gz FFYNAVGJSYHHFO-NRFANRHFSA-N -1 3 429.513 3.197 50 0 world IGAAHM Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)[N-]n1c(C)nc2sc3c(c2c1=O)CCC3 ZINC000002777711 556140775 /nfs/dbraw/zinc/14/07/75/556140775.db2.gz YSRNDJNAFOOEIO-UHFFFAOYSA-N -1 3 445.854 3.203 50 0 IGAAHM Cc1ccc(N2C(=O)c3ccc(C(=O)[N-]N4C(=O)c5ccccc5C4=O)cc3C2=O)cc1C ZINC000008895586 556230963 /nfs/dbraw/zinc/23/09/63/556230963.db2.gz DCZWTAUWRBBEFG-UHFFFAOYSA-N -1 3 439.427 3.045 50 0 IGAAHM Cn1c(-c2ccccc2)nn(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1=S ZINC000014242286 556402852 /nfs/dbraw/zinc/40/28/52/556402852.db2.gz ICHYVFVADDSVEV-UHFFFAOYSA-N -1 3 449.627 3.080 50 0 IGAAHM C[C@H](OC(=O)c1ccc(OC[C@H]2CCCO2)cc1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032672059 556414765 /nfs/dbraw/zinc/41/47/65/556414765.db2.gz URSYOYIEQAWLQP-MGPUTAFESA-N -1 3 447.509 3.044 50 0 IGAAHM COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000029897148 556485913 /nfs/dbraw/zinc/48/59/13/556485913.db2.gz AIVYYUALRVOIKB-GFCCVEGCSA-N -1 3 444.431 3.106 50 0 IGAAHM Cc1nc(C(=O)[N-]c2c3ccccc3oc2C(=O)N2CCOCC2)nn1-c1ccc(F)cc1 ZINC000015196737 556510508 /nfs/dbraw/zinc/51/05/08/556510508.db2.gz ONXBMRAXTKAPLQ-UHFFFAOYSA-N -1 3 449.442 3.186 50 0 IGAAHM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000072297317 556522641 /nfs/dbraw/zinc/52/26/41/556522641.db2.gz IUJWLQALKLCNTD-AWEZNQCLSA-N -1 3 444.532 3.338 50 0 IGAAHM COc1ccc(-c2ccnc(SCC(=O)N3NC(C)=C[C@@]3([O-])C(F)(F)F)n2)cc1 ZINC000013642552 556542579 /nfs/dbraw/zinc/54/25/79/556542579.db2.gz OLRANQCEZDIROC-QGZVFWFLSA-N -1 3 426.420 3.103 50 0 IGAAHM Cc1cc(C)c(NC(=O)CSc2nnc3[n-]c(=O)c(Cc4ccccc4)nn32)c(C)c1 ZINC000015882057 556560910 /nfs/dbraw/zinc/56/09/10/556560910.db2.gz TZHAEVLVJBCAAQ-UHFFFAOYSA-N -1 3 434.525 3.472 50 0 IGAAHM O=C(Nc1cc(F)cc(F)c1)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1 ZINC000016305471 556599097 /nfs/dbraw/zinc/59/90/97/556599097.db2.gz HSZBWVRVJBCUCP-HNNXBMFYSA-N -1 3 430.860 3.328 50 0 IGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccccn3)cc2)cc1C ZINC000016527048 556614328 /nfs/dbraw/zinc/61/43/28/556614328.db2.gz MJQJLBJUJOCKJD-UHFFFAOYSA-N -1 3 425.510 3.194 50 0 IGAAHM Cc1cc(C)c(N2C(=O)[N-]C(=O)[C@@]3(Cc4ccccc4N4CCN(C)C[C@H]43)C2=O)c(C)c1 ZINC000017027814 556653547 /nfs/dbraw/zinc/65/35/47/556653547.db2.gz CWXZDUSVXLAMMQ-CPJSRVTESA-N -1 3 432.524 3.398 50 0 IGAAHM CC(C)NC(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000033033785 556714417 /nfs/dbraw/zinc/71/44/17/556714417.db2.gz FDFKONBNSRZRQB-UHFFFAOYSA-N -1 3 444.601 3.159 50 0 IGAAHM COC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]Cc3ccco3)c2)cc1 ZINC000003450783 556815970 /nfs/dbraw/zinc/81/59/70/556815970.db2.gz LKDQXRBBEFYCRN-UHFFFAOYSA-N -1 3 448.884 3.450 50 0 IGAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C(F)(F)F)cc1)CC(=O)N2 ZINC000046074085 557030221 /nfs/dbraw/zinc/03/02/21/557030221.db2.gz RENFXVHNTPDNSE-LLVKDONJSA-N -1 3 426.420 3.355 50 0 IGAAHM O=C(CN1CCc2[n-]c3c(F)c(Cl)ccc3c(=O)c2C1)NCc1ccc2c(c1)OCO2 ZINC000049003262 557091121 /nfs/dbraw/zinc/09/11/21/557091121.db2.gz HZYHFYNYUKYBIJ-UHFFFAOYSA-N -1 3 443.862 3.136 50 0 IGAAHM O=C(NC1CC1)[C@H](Sc1nc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C1CC1)c1ccccc1 ZINC000023563136 557099091 /nfs/dbraw/zinc/09/90/91/557099091.db2.gz KCJUHVYSYNGEKA-QGZVFWFLSA-N -1 3 449.536 3.216 50 0 IGAAHM COc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(Cc2ccccc2)CC3)cc1 ZINC000033331743 557115655 /nfs/dbraw/zinc/11/56/55/557115655.db2.gz MHUNYDLOBMPFLA-UHFFFAOYSA-N -1 3 436.537 3.480 50 0 IGAAHM O=C(/C=C/c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1)[N-]O[C@H]1CCCCO1 ZINC000072481739 557137681 /nfs/dbraw/zinc/13/76/81/557137681.db2.gz LVBSWRMRNBSZJC-YUAYGMJFSA-N -1 3 426.494 3.466 50 0 IGAAHM Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)on1 ZINC000010946664 557146360 /nfs/dbraw/zinc/14/63/60/557146360.db2.gz ABLARRPKLKRTSK-CYBMUJFWSA-N -1 3 447.444 3.107 50 0 IGAAHM O=S(=O)([N-]Cc1ccc2c(c1)OCO2)c1ccc(Br)cc1Br ZINC000000783447 557180229 /nfs/dbraw/zinc/18/02/29/557180229.db2.gz OSPSOORZIRGNQQ-UHFFFAOYSA-N -1 3 449.120 3.419 50 0 IGAAHM CSc1nc(C)c(CCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c(=O)[n-]1 ZINC000024982561 557185553 /nfs/dbraw/zinc/18/55/53/557185553.db2.gz GYEPYBMRFLXODO-UHFFFAOYSA-N -1 3 434.993 3.167 50 0 IGAAHM CCOc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)ccc1O ZINC000027664431 557270249 /nfs/dbraw/zinc/27/02/49/557270249.db2.gz WRJJAINARFDXTG-ABSDTBQOSA-N -1 3 438.402 3.203 50 0 IGAAHM Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c1[O-] ZINC000032992640 557321944 /nfs/dbraw/zinc/32/19/44/557321944.db2.gz ZYNOSESSEYVOCF-UHFFFAOYSA-N -1 3 429.325 3.154 50 0 IGAAHM CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)Nc1ccccc1[O-] ZINC000013956083 557397921 /nfs/dbraw/zinc/39/79/21/557397921.db2.gz BWIVPZUOSZLWNG-UHFFFAOYSA-N -1 3 425.514 3.224 50 0 IGAAHM CCOc1cc(/C=C2\SC(=O)N([C@H](C)C(=O)OC)C2=O)cc(Br)c1[O-] ZINC000033627445 557425007 /nfs/dbraw/zinc/42/50/07/557425007.db2.gz AZMPOZLIBVZMOR-HLPMDPMVSA-N -1 3 430.276 3.151 50 0 IGAAHM Cc1ccc(-n2c(SCC(=O)Nc3cc(F)ccc3F)nc3c2nc[n-]c3=O)cc1 ZINC000085704088 557461997 /nfs/dbraw/zinc/46/19/97/557461997.db2.gz AKQYXSOLTJYVGQ-UHFFFAOYSA-N -1 3 427.436 3.426 50 0 IGAAHM Cc1ccccc1NC(=O)CSc1nc2[n-]ncc2c(=O)n1-c1ccc(F)c(F)c1 ZINC000051316752 557465499 /nfs/dbraw/zinc/46/54/99/557465499.db2.gz LMXSVUBUKWVRAC-UHFFFAOYSA-N -1 3 427.436 3.426 50 0 IGAAHM Cc1ccccc1NC(=O)CSc1nc2n[n-]cc2c(=O)n1-c1ccc(F)c(F)c1 ZINC000051316752 557465500 /nfs/dbraw/zinc/46/55/00/557465500.db2.gz LMXSVUBUKWVRAC-UHFFFAOYSA-N -1 3 427.436 3.426 50 0 IGAAHM CCS(=O)(=O)Nc1ccc(NC(=O)c2cc(Br)cc3nn[n-]c32)cc1C ZINC000225726944 557769410 /nfs/dbraw/zinc/76/94/10/557769410.db2.gz FCXMJCHLVBVYLC-UHFFFAOYSA-N -1 3 438.307 3.043 50 0 IGAAHM CCS(=O)(=O)Nc1ccc(NC(=O)c2cc(Br)cc3[n-]nnc32)cc1C ZINC000225726944 557769411 /nfs/dbraw/zinc/76/94/11/557769411.db2.gz FCXMJCHLVBVYLC-UHFFFAOYSA-N -1 3 438.307 3.043 50 0 IGAAHM CCS(=O)(=O)Nc1ccc(NC(=O)c2cc(Br)cc3n[n-]nc32)cc1C ZINC000225726944 557769415 /nfs/dbraw/zinc/76/94/15/557769415.db2.gz FCXMJCHLVBVYLC-UHFFFAOYSA-N -1 3 438.307 3.043 50 0 IGAAHM O=C([O-])c1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1 ZINC000013662019 557836575 /nfs/dbraw/zinc/83/65/75/557836575.db2.gz JCOYCMOSSRINSX-PCCBWWKXSA-N -1 3 430.416 3.142 50 0 IGAAHM Cc1noc(C)c1S(=O)(=O)[N-]CCc1csc2nc(-c3ccc(Cl)cc3)nn12 ZINC000008601521 562955416 /nfs/dbraw/zinc/95/54/16/562955416.db2.gz ONYVCLGSGYJOLG-UHFFFAOYSA-N -1 3 437.934 3.237 50 0 IGAAHM O=S(=O)([N-]C[C@H](c1cccnc1)N1CCN(c2ccccc2F)CC1)c1cccs1 ZINC000056896444 563142834 /nfs/dbraw/zinc/14/28/34/563142834.db2.gz IHHAEIKYXJJKFQ-HXUWFJFHSA-N -1 3 446.573 3.124 50 0 IGAAHM CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(Br)c([O-])c(OC)c2)C1=O ZINC000001160547 568664295 /nfs/dbraw/zinc/66/42/95/568664295.db2.gz MGRKFGKYPUJTQX-HLPMDPMVSA-N -1 3 430.276 3.151 50 0 IGAAHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCN(C)CC2)cc1OC ZINC000084077443 568791670 /nfs/dbraw/zinc/79/16/70/568791670.db2.gz WQATXGXHJOTFTA-UHFFFAOYSA-N -1 3 439.965 3.218 50 0 IGAAHM O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2Cl)s1 ZINC000015720716 568811514 /nfs/dbraw/zinc/81/15/14/568811514.db2.gz MWJPWOHQYODYFQ-UHFFFAOYSA-N -1 3 447.925 3.071 50 0 IGAAHM O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)[N-]C2CCCCCCC2)s1 ZINC000015720720 568811703 /nfs/dbraw/zinc/81/17/03/568811703.db2.gz LVEQOXLIAWKUCI-UHFFFAOYSA-N -1 3 433.555 3.331 50 0 IGAAHM CCOc1cc([C@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OC(=O)c1ccc(F)cc1 ZINC000015832901 568842235 /nfs/dbraw/zinc/84/22/35/568842235.db2.gz ANCSYBOKMQRJCS-LJQANCHMSA-N -1 3 445.472 3.445 50 0 IGAAHM C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012987137 568895064 /nfs/dbraw/zinc/89/50/64/568895064.db2.gz NKMSWJHUPGRKND-UHSVVUDUSA-N -1 3 430.492 3.457 50 0 IGAAHM CCOC(=O)c1sc2[n-]c(CN3CCC(C(=O)OCC)CC3)nc(=O)c2c1C(C)C ZINC000036204213 568972493 /nfs/dbraw/zinc/97/24/93/568972493.db2.gz XGZNBXFLIOMYSV-UHFFFAOYSA-N -1 3 435.546 3.060 50 0 IGAAHM COc1ccc(NC(=O)c2nnc(C[N-]S(=O)(=O)c3cc(C)c(C)cc3C)s2)cc1 ZINC000064991653 569084687 /nfs/dbraw/zinc/08/46/87/569084687.db2.gz ZNQPDHZUICEEJJ-UHFFFAOYSA-N -1 3 446.554 3.203 50 0 IGAAHM CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])N1CCN(Cc2ccccn2)CC1 ZINC000036359826 569086553 /nfs/dbraw/zinc/08/65/53/569086553.db2.gz MXXSYQDXSCRGIO-JOCHJYFZSA-N -1 3 435.528 3.101 50 0 IGAAHM O=C(c1ccc(I)c([O-])c1)N1CCCN(Cc2ccccc2)CC1 ZINC000170595323 569141595 /nfs/dbraw/zinc/14/15/95/569141595.db2.gz MJNYPQNKLCQJNK-UHFFFAOYSA-N -1 3 436.293 3.345 50 0 IGAAHM CCOC(=O)C[C@H](c1ccc(OC)c(OC2CCCC2)c1)c1oc(CO)cc(=O)c1[O-] ZINC000071283796 569150811 /nfs/dbraw/zinc/15/08/11/569150811.db2.gz LXPOTWSNGWNCLX-QGZVFWFLSA-N -1 3 432.469 3.253 50 0 IGAAHM C[C@@H]1CN(C(C)(C)CNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C[C@H](C)O1 ZINC000014334635 569158676 /nfs/dbraw/zinc/15/86/76/569158676.db2.gz CWZMDSYYOWOGPT-HDICACEKSA-N -1 3 445.585 3.105 50 0 IGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCOc1ccc(-c2ccc(C)cc2)nn1 ZINC000017051744 569171870 /nfs/dbraw/zinc/17/18/70/569171870.db2.gz CEPRBESCPLLVMD-UHFFFAOYSA-N -1 3 433.917 3.471 50 0 IGAAHM CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000079073805 569324751 /nfs/dbraw/zinc/32/47/51/569324751.db2.gz YYYXPURMZOMRLM-LJQANCHMSA-N -1 3 426.485 3.168 50 0 IGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cc(Cl)ccc1N(CCc1ccccc1)C2=O ZINC000020069256 569333175 /nfs/dbraw/zinc/33/31/75/569333175.db2.gz SMFMSCXSKKFYQN-OAQYLSRUSA-N -1 3 442.928 3.085 50 0 IGAAHM COc1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)c(OC)c1 ZINC000020116368 569335146 /nfs/dbraw/zinc/33/51/46/569335146.db2.gz AHTYYYJSVMHPGA-GOSISDBHSA-N -1 3 446.550 3.294 50 0 IGAAHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(Cc2ccccc2)C2CC2)cc1F ZINC000095449633 569367598 /nfs/dbraw/zinc/36/75/98/569367598.db2.gz KKQXPPAFQDUAIF-UHFFFAOYSA-N -1 3 426.535 3.331 50 0 IGAAHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CSc3nc(-c4cccnc4)no3)c2)n1 ZINC000095465598 569370819 /nfs/dbraw/zinc/37/08/19/569370819.db2.gz IBVHSIOPVJVDMM-UHFFFAOYSA-N -1 3 434.481 3.175 50 0 IGAAHM COc1cc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)cc(OC)c1O ZINC000096223086 569387376 /nfs/dbraw/zinc/38/73/76/569387376.db2.gz JCJUQJYFDJWLDP-XIKOKIGWSA-N -1 3 449.529 3.216 50 0 IGAAHM COc1ccc(CNC(=O)CN2CCc3[n-]c4c(OC)ccc(Cl)c4c(=O)c3C2)cc1 ZINC000096326890 569396192 /nfs/dbraw/zinc/39/61/92/569396192.db2.gz YYYZFRMZOMASFG-UHFFFAOYSA-N -1 3 441.915 3.286 50 0 IGAAHM COc1ccccc1-c1nc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)n[n-]1 ZINC000059403662 569461168 /nfs/dbraw/zinc/46/11/68/569461168.db2.gz GZRKHHUPPNIPDL-GFCCVEGCSA-N -1 3 441.875 3.134 50 0 IGAAHM COc1ccc2[nH]cc(CCNC(=O)COc3cc([O-])c4c(c3)OC(C)(C)CC4=O)c2c1 ZINC000008877603 569481222 /nfs/dbraw/zinc/48/12/22/569481222.db2.gz MVMBLGPDEDQNJF-UHFFFAOYSA-N -1 3 438.480 3.364 50 0 IGAAHM Nc1nc([O-])c([C@@]2(O)C(=O)N(Cc3cccc4ccccc43)c3ccc(Cl)cc32)s1 ZINC000009053675 569498875 /nfs/dbraw/zinc/49/88/75/569498875.db2.gz SNZZCSVKRWFFFE-PGRDOPGGSA-N -1 3 437.908 3.184 50 0 IGAAHM COc1ccc([C@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCO)cc1OC ZINC000009243208 569514853 /nfs/dbraw/zinc/51/48/53/569514853.db2.gz ALRGLORPKBTFOD-NRFANRHFSA-N -1 3 443.887 3.299 50 0 IGAAHM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)NCc1cccc(Cl)c1 ZINC000009377614 569527476 /nfs/dbraw/zinc/52/74/76/569527476.db2.gz DAEXWKXHYRNCMO-UHFFFAOYSA-N -1 3 425.901 3.171 50 0 IGAAHM C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1)c1ccc(-n2ccnc2)cc1 ZINC000009607968 569552059 /nfs/dbraw/zinc/55/20/59/569552059.db2.gz ZXJQJJDYHVITSV-AWEZNQCLSA-N -1 3 444.944 3.457 50 0 IGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CNC(=O)Cc3ccccc3)cc2)cc1 ZINC000009635125 569554581 /nfs/dbraw/zinc/55/45/81/569554581.db2.gz KGVQKGCHPZCIRW-UHFFFAOYSA-N -1 3 437.521 3.093 50 0 IGAAHM Cc1c(C(=O)NCCc2ccc(F)cc2)sc2[n-]c(CN3CCCCC3)nc(=O)c12 ZINC000009684842 569560565 /nfs/dbraw/zinc/56/05/65/569560565.db2.gz PZWNVWSPYGOUIH-UHFFFAOYSA-N -1 3 428.533 3.391 50 0 IGAAHM CC(C)(C)c1ccc(C(=O)NCC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1 ZINC000010293941 569580518 /nfs/dbraw/zinc/58/05/18/569580518.db2.gz PINRULOXEKJOIG-UHFFFAOYSA-N -1 3 437.540 3.297 50 0 IGAAHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2OC)cc1N1CCNCC1 ZINC000003973612 132268345 /nfs/dbraw/zinc/26/83/45/132268345.db2.gz ATKZKAYWARYLBW-UHFFFAOYSA-N -1 3 446.356 3.221 50 0 in-vitro IGAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000004787518 132274046 /nfs/dbraw/zinc/27/40/46/132274046.db2.gz UPXHCXHTGPMFNU-SFHVURJKSA-N -1 3 442.006 3.053 50 0 IGAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(N3CCOCC3)cc1)ON(c1ccccc1)[C@@H]2c1ccco1 ZINC000006142143 132276198 /nfs/dbraw/zinc/27/61/98/132276198.db2.gz MRJZHFXLXKCAMK-DNVJHFABSA-N -1 3 445.475 3.167 50 0 IGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cc(Cl)ccc1N(Cc1ccccc1)C2=O ZINC000012379486 519643458 /nfs/dbraw/zinc/64/34/58/519643458.db2.gz SNLBTRLAWGNBAH-HXUWFJFHSA-N -1 3 428.901 3.042 50 0 IGAAHM CCOc1cc([C@@H]2NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)cc(Cl)c1[O-] ZINC000012506445 520777242 /nfs/dbraw/zinc/77/72/42/520777242.db2.gz OZBQCFDWTSIEAM-GOSISDBHSA-N -1 3 429.864 3.052 50 0 IGAAHM COc1cc(C(=O)N(C)Cc2nc3ccsc3c(=O)[n-]2)cc(OC)c1Br ZINC000012766059 522058186 /nfs/dbraw/zinc/05/81/86/522058186.db2.gz RXICPENQBZWPRX-UHFFFAOYSA-N -1 3 438.303 3.037 50 0 IGAAHM COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCCN3CCOCC3)cc2[O-])cc1OC ZINC000020591923 523075297 /nfs/dbraw/zinc/07/52/97/523075297.db2.gz OFODXFHEKPGWFU-UHFFFAOYSA-N -1 3 439.512 3.486 50 0 IGAAHM Cc1ccc(C)c(Cn2nnc3c2nc([C@@H]2CCCN(C(=O)CC4CCCC4)C2)[n-]c3=O)c1 ZINC000021178053 524113986 /nfs/dbraw/zinc/11/39/86/524113986.db2.gz RHORCHUVVQCQDK-LJQANCHMSA-N -1 3 448.571 3.466 50 0 IGAAHM COc1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)cc1OC ZINC000021651443 524588607 /nfs/dbraw/zinc/58/86/07/524588607.db2.gz VXIYUCSEEXMECL-QGZVFWFLSA-N -1 3 446.550 3.294 50 0 IGAAHM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccco3)N(C)C)c2)cc1 ZINC000012526209 524694742 /nfs/dbraw/zinc/69/47/42/524694742.db2.gz CIBSUIFLISKWMZ-HXUWFJFHSA-N -1 3 443.525 3.122 50 0 IGAAHM COc1ccc(OCCOc2cccc([C@@H]3SC([N-]C(C)=O)=NN3C(C)=O)c2)cc1 ZINC000020896529 524964605 /nfs/dbraw/zinc/96/46/05/524964605.db2.gz MYXMJYISQCKOTD-FQEVSTJZSA-N -1 3 429.498 3.154 50 0 IGAAHM Cc1ccccc1Nc1nc(N)nc(CN2CCC(C(=O)Nc3ccccc3[O-])CC2)n1 ZINC000012640058 525273452 /nfs/dbraw/zinc/27/34/52/525273452.db2.gz JDMMMWVRWZIUJM-UHFFFAOYSA-N -1 3 433.516 3.062 50 0 IGAAHM Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3F)nc3c2nc[n-]c3=O)cc1 ZINC000012462125 525899872 /nfs/dbraw/zinc/89/98/72/525899872.db2.gz SUNMLZFFYMQMGE-UHFFFAOYSA-N -1 3 427.436 3.426 50 0 biogenic,in-vitro IGAAHM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(N2CCCS2(=O)=O)cc1 ZINC000012740070 525987551 /nfs/dbraw/zinc/98/75/51/525987551.db2.gz UPGSAEDSDOFIFS-UHFFFAOYSA-N -1 3 445.360 3.098 50 0 IGAAHM O=S(=O)([N-]Cc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(F)cc1Cl ZINC000012917534 527232377 /nfs/dbraw/zinc/23/23/77/527232377.db2.gz VCHLOWGKPUXYSS-UHFFFAOYSA-N -1 3 446.953 3.132 50 0 IGAAHM CCOC(=O)C1C(c2ccccc2)=NC(=O)N[C@@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000000844265 555568729 /nfs/dbraw/zinc/56/87/29/555568729.db2.gz PREJBSGFXZTVGK-QGZVFWFLSA-N -1 3 447.285 3.492 50 0 IGAAHM COc1c(Cl)cc(Br)c(OC)c1C(=O)[N-]C(=O)Nc1nc(C)cc(C)n1 ZINC000001031394 555606009 /nfs/dbraw/zinc/60/60/09/555606009.db2.gz HZCDBGDIKVMJQT-UHFFFAOYSA-N -1 3 443.685 3.488 50 0 IGAAHM COc1ccccc1CC[N-]S(=O)(=O)[C@H]1CON(C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000034739088 555890927 /nfs/dbraw/zinc/89/09/27/555890927.db2.gz QXQCYZHFQNVJBP-FCHUYYIVSA-N -1 3 432.586 3.442 50 0 IGAAHM CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(CSC)o2)cc1 ZINC000002720234 556126524 /nfs/dbraw/zinc/12/65/24/556126524.db2.gz IMJVSEAWJLJLHM-UHFFFAOYSA-N -1 3 446.554 3.396 50 0 IGAAHM CN(c1nccc(=O)[n-]1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000013831810 556317043 /nfs/dbraw/zinc/31/70/43/556317043.db2.gz PVLJETXTTWAYEW-UHFFFAOYSA-N -1 3 432.503 3.412 50 0 world IGAAHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)NC[C@H]1CCCO1 ZINC000013941784 556338728 /nfs/dbraw/zinc/33/87/28/556338728.db2.gz SSXWRYCJRZRVEQ-QGZVFWFLSA-N -1 3 438.933 3.123 50 0 IGAAHM CC1CCC2(CC1)NC(=O)N([N-]C(=O)c1cccc(NC(=O)c3cccs3)c1)C2=O ZINC000014161352 556378611 /nfs/dbraw/zinc/37/86/11/556378611.db2.gz LYAZPFPETGXWCC-UHFFFAOYSA-N -1 3 426.498 3.146 50 0 IGAAHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000014372422 556414962 /nfs/dbraw/zinc/41/49/62/556414962.db2.gz RLQVQDJWTPCNLW-CYBMUJFWSA-N -1 3 434.930 3.100 50 0 IGAAHM Cc1nc(-c2ccccc2)[n-]c(=O)c1CCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000028928143 556464073 /nfs/dbraw/zinc/46/40/73/556464073.db2.gz DAZRNQIOKXFNAL-UHFFFAOYSA-N -1 3 430.552 3.459 50 0 IGAAHM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2cc(F)cc(F)c2)c(Br)c1 ZINC000030517819 556496229 /nfs/dbraw/zinc/49/62/29/556496229.db2.gz JPLJYYHSUUXJKJ-UHFFFAOYSA-N -1 3 434.258 3.383 50 0 IGAAHM C[C@H](NC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000030682405 556501817 /nfs/dbraw/zinc/50/18/17/556501817.db2.gz IKXRBPAQDVGANS-JHMRYYBSSA-N -1 3 426.529 3.354 50 0 IGAAHM CCCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000003100931 556521290 /nfs/dbraw/zinc/52/12/90/556521290.db2.gz HWDWUXFBRBQQIB-OAHLLOKOSA-N -1 3 427.295 3.477 50 0 IGAAHM COc1ccc(C)cc1-c1csc(NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)n1 ZINC000015637767 556539541 /nfs/dbraw/zinc/53/95/41/556539541.db2.gz ZDDZVACXBULDPE-UHFFFAOYSA-N -1 3 436.493 3.159 50 0 IGAAHM CCOC(=O)CSc1nnc(CSc2nc3sc4c(c3c(=O)[n-]2)CCCC4)o1 ZINC000015822456 556554076 /nfs/dbraw/zinc/55/40/76/556554076.db2.gz AOYSYQKGZVIGMA-UHFFFAOYSA-N -1 3 438.556 3.194 50 0 IGAAHM Cc1nc(N2CCOCC2)ncc1-c1cc(=O)[n-]c(Nc2cc(Cl)cc(Cl)c2)n1 ZINC000036235523 556595036 /nfs/dbraw/zinc/59/50/36/556595036.db2.gz QVMSGPXEXKAGOS-UHFFFAOYSA-N -1 3 433.299 3.422 50 0 IGAAHM Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1 ZINC000011858084 556662982 /nfs/dbraw/zinc/66/29/82/556662982.db2.gz DBZAXFVOKNIUSP-UHFFFAOYSA-N -1 3 436.555 3.160 50 0 IGAAHM COc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]Cc3ccccc3)c2)cn1 ZINC000011112143 556666747 /nfs/dbraw/zinc/66/67/47/556666747.db2.gz UVLREPLZZOUYOP-UHFFFAOYSA-N -1 3 445.928 3.152 50 0 IGAAHM Cc1nc(C[N-]S(=O)(=O)c2cc(Br)ccc2Br)cs1 ZINC000032937660 556690194 /nfs/dbraw/zinc/69/01/94/556690194.db2.gz MFKULVDEZRVWGH-UHFFFAOYSA-N -1 3 426.155 3.455 50 0 IGAAHM COC(=O)[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)c1ccccc1 ZINC000072313088 556688500 /nfs/dbraw/zinc/68/85/00/556688500.db2.gz WAQHSNRGLBTOSL-BZNIZROVSA-N -1 3 430.295 3.417 50 0 IGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(C(=O)N(C)C)CC3)cc2)cc1 ZINC000059759802 556804190 /nfs/dbraw/zinc/80/41/90/556804190.db2.gz BWUFTLRTNLUYKC-UHFFFAOYSA-N -1 3 444.557 3.128 50 0 IGAAHM O=C(c1ccc(OC(F)(F)F)cc1)N1C[C@@H]2C[C@H]1C[C@@H]2[N-]S(=O)(=O)c1cccs1 ZINC000097112670 556989534 /nfs/dbraw/zinc/98/95/34/556989534.db2.gz MDULRAIQVIOAHD-YDHLFZDLSA-N -1 3 446.472 3.228 50 0 IGAAHM CCOC(=O)C1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2cccc(OC)c2)CC1 ZINC000023157838 557030926 /nfs/dbraw/zinc/03/09/26/557030926.db2.gz IHMRAHUYBJDWCL-KRWDZBQOSA-N -1 3 430.530 3.178 50 0 IGAAHM COc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)cc1 ZINC000046074649 557031178 /nfs/dbraw/zinc/03/11/78/557031178.db2.gz DZAOLBRFEAIZJR-MRXNPFEDSA-N -1 3 436.493 3.135 50 0 IGAAHM O=C(Nc1ccccc1F)C1CC(=O)Nc2nc(SCc3ccccc3F)[n-]c(=O)c21 ZINC000046075282 557032101 /nfs/dbraw/zinc/03/21/01/557032101.db2.gz DAORXUMIHUPZEP-GFCCVEGCSA-N -1 3 442.447 3.405 50 0 IGAAHM O=C([N-]c1ccccc1F)c1nnc(C2CCN(S(=O)(=O)c3ccccc3)CC2)s1 ZINC000033273292 557051562 /nfs/dbraw/zinc/05/15/62/557051562.db2.gz BKKKCNFAFWLGNO-UHFFFAOYSA-N -1 3 446.529 3.498 50 0 IGAAHM COc1cc(CN2CCN(Cc3ccccc3)CC2)cc(I)c1[O-] ZINC000023281331 557081768 /nfs/dbraw/zinc/08/17/68/557081768.db2.gz UBVKEMSGEBZNOS-UHFFFAOYSA-N -1 3 438.309 3.323 50 0 IGAAHM Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)on1 ZINC000010946667 557146402 /nfs/dbraw/zinc/14/64/02/557146402.db2.gz ABLARRPKLKRTSK-ZDUSSCGKSA-N -1 3 447.444 3.107 50 0 IGAAHM O=C(Cc1csc(-c2ccccc2)n1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011449736 557149026 /nfs/dbraw/zinc/14/90/26/557149026.db2.gz DLWITXXVFXMCHA-UHFFFAOYSA-N -1 3 447.607 3.384 50 0 IGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCN(C4CC4)CC3)cc2)cc1C ZINC000069924685 557167778 /nfs/dbraw/zinc/16/77/78/557167778.db2.gz AAUHKTZVRLRADC-UHFFFAOYSA-N -1 3 427.570 3.415 50 0 IGAAHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000025471360 557211857 /nfs/dbraw/zinc/21/18/57/557211857.db2.gz XNGODYQHTPQFFY-UHFFFAOYSA-N -1 3 444.314 3.409 50 0 IGAAHM CS(=O)(=O)[N-]c1cc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)ccc1F ZINC000025516030 557212728 /nfs/dbraw/zinc/21/27/28/557212728.db2.gz FPPBHYNPBCQUAF-CQSZACIVSA-N -1 3 434.493 3.080 50 0 IGAAHM CS(=O)(=O)[N-]c1cc(NC(=O)[C@@H](NC(=O)c2cccs2)c2ccccc2)ccc1F ZINC000025670659 557221287 /nfs/dbraw/zinc/22/12/87/557221287.db2.gz ZHMUAHKSSQKZFA-SFHVURJKSA-N -1 3 447.513 3.369 50 0 IGAAHM CC(C)C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)N1CCOCC1 ZINC000024837191 557334091 /nfs/dbraw/zinc/33/40/91/557334091.db2.gz CBBAMSIASXSAIL-AWEZNQCLSA-N -1 3 439.803 3.128 50 0 IGAAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)c(OC)c2)cc1 ZINC000102724149 557369600 /nfs/dbraw/zinc/36/96/00/557369600.db2.gz UVOPOOFLTDESHU-RJGXRXQPSA-N -1 3 446.459 3.461 50 0 IGAAHM CS(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccc(Br)s3)o2)cc1 ZINC000011695472 557393539 /nfs/dbraw/zinc/39/35/39/557393539.db2.gz PUIIIUSNJRWNLB-UHFFFAOYSA-N -1 3 428.289 3.216 50 0 IGAAHM O=S(=O)([N-]CCNc1ccc(Nc2ccccn2)nn1)c1ccccc1C(F)(F)F ZINC000011697462 557395094 /nfs/dbraw/zinc/39/50/94/557395094.db2.gz GAKRVYBBBLSUQC-UHFFFAOYSA-N -1 3 438.435 3.024 50 0 IGAAHM Cc1cccc(Cn2nnc3c2nc(C2CCN(C(=O)c4ccccc4F)CC2)[n-]c3=O)c1 ZINC000008612534 562959250 /nfs/dbraw/zinc/95/92/50/562959250.db2.gz DMQAKQIAGSPYJY-UHFFFAOYSA-N -1 3 446.486 3.030 50 0 IGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CC1CCN(C(=O)c2ccccc2F)CC1 ZINC000043962573 568744659 /nfs/dbraw/zinc/74/46/59/568744659.db2.gz FEWVZGXJFDGIAH-UHFFFAOYSA-N -1 3 440.924 3.318 50 0 IGAAHM O=C(Nc1nccs1)c1cc(S(=O)(=O)[N-]C[C@H]2CCCO2)c(Cl)cc1Cl ZINC000001425898 568793818 /nfs/dbraw/zinc/79/38/18/568793818.db2.gz JCEUMVLSKBMGTR-SECBINFHSA-N -1 3 436.342 3.160 50 0 IGAAHM CCCCNC(=O)c1cnc2ccc(S(=O)(=O)N(C)c3ccc(CC)cc3)cc2c1[O-] ZINC000006181205 568868047 /nfs/dbraw/zinc/86/80/47/568868047.db2.gz RCVRJRUYWYHZSX-UHFFFAOYSA-N -1 3 441.553 3.446 50 0 IGAAHM Cc1ccc(S(=O)(=O)NCc2nnc(C(=O)[N-]c3ccc(F)cc3F)s2)cc1C ZINC000064991820 569084296 /nfs/dbraw/zinc/08/42/96/569084296.db2.gz DEZHQJMWTMHYDC-UHFFFAOYSA-N -1 3 438.481 3.164 50 0 IGAAHM Cc1c(Cl)cccc1S(=O)(=O)NCc1nnc(C(=O)[N-]c2ccccc2F)s1 ZINC000064991792 569084816 /nfs/dbraw/zinc/08/48/16/569084816.db2.gz GTFKUTVJZSZCNM-UHFFFAOYSA-N -1 3 440.909 3.370 50 0 IGAAHM CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])N1CCN(Cc2ccccn2)CC1 ZINC000036359825 569086584 /nfs/dbraw/zinc/08/65/84/569086584.db2.gz MXXSYQDXSCRGIO-QFIPXVFZSA-N -1 3 435.528 3.101 50 0 IGAAHM CCOCN(C(=O)CN1CCN(C(=O)c2ccc([O-])cc2)CC1)c1c(C)cccc1CC ZINC000170598215 569142279 /nfs/dbraw/zinc/14/22/79/569142279.db2.gz JDQQZOQZTHUTHH-UHFFFAOYSA-N -1 3 439.556 3.048 50 0 IGAAHM O=C([O-])[C@H](CC(=O)Nc1ccc(F)cc1)CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000071283559 569150685 /nfs/dbraw/zinc/15/06/85/569150685.db2.gz ONDWPIGXTQYBOC-WWPOYFSUSA-N -1 3 425.504 3.186 50 0 IGAAHM CC[C@@H](Sc1nnc(NC(C)=O)s1)C(=O)[N-]C1=NN=C(c2ccc(C)cc2)CS1 ZINC000010059416 569152135 /nfs/dbraw/zinc/15/21/35/569152135.db2.gz VEIHPVPHEUVIRK-CQSZACIVSA-N -1 3 448.599 3.299 50 0 IGAAHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000002875497 569177553 /nfs/dbraw/zinc/17/75/53/569177553.db2.gz FKMPGMOMUOWIOR-JTQLQIEISA-N -1 3 431.297 3.070 50 0 IGAAHM COc1cc(OC)cc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2ccccc2OC)c1 ZINC000027527599 569263357 /nfs/dbraw/zinc/26/33/57/569263357.db2.gz SFFHKUQJKCCBMJ-UHFFFAOYSA-N -1 3 431.448 3.473 50 0 IGAAHM Cc1nc(C[N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)oc1-c1ccc(Cl)cc1 ZINC000079092344 569325152 /nfs/dbraw/zinc/32/51/52/569325152.db2.gz ZCQAPAKWRPWJAQ-UHFFFAOYSA-N -1 3 433.873 3.113 50 0 IGAAHM CC(=O)c1cccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)c1 ZINC000020116390 569335110 /nfs/dbraw/zinc/33/51/10/569335110.db2.gz DNXXQSGAHHBOBG-LJQANCHMSA-N -1 3 428.535 3.479 50 0 IGAAHM COC(=O)C[C@H](c1cnn(C)c1)c1oc(CSc2ccccc2OC)cc(=O)c1[O-] ZINC000095479770 569373818 /nfs/dbraw/zinc/37/38/18/569373818.db2.gz GMWCUTWZMOFNQS-OAHLLOKOSA-N -1 3 430.482 3.075 50 0 IGAAHM COC(=O)C[C@H](c1cnn(C)c1)c1oc(CSc2ccc(F)cc2F)cc(=O)c1[O-] ZINC000095479650 569373822 /nfs/dbraw/zinc/37/38/22/569373822.db2.gz GABXDQRPFIZPSQ-CQSZACIVSA-N -1 3 436.436 3.344 50 0 IGAAHM COc1ccccc1OCCOc1ccccc1[C@H]1SC([N-]C(C)=O)=NN1C(C)=O ZINC000020896059 569375133 /nfs/dbraw/zinc/37/51/33/569375133.db2.gz ZEWUKTCCTHFHAR-HXUWFJFHSA-N -1 3 429.498 3.154 50 0 IGAAHM COc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(C)cc3)n2)cc(OC)c1OC ZINC000096277906 569388829 /nfs/dbraw/zinc/38/88/29/569388829.db2.gz JUKWFGBCXVIPIK-ZDUSSCGKSA-N -1 3 433.486 3.110 50 0 IGAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCC(CCc2ccc(C)cc2)CC1 ZINC000029004605 569424363 /nfs/dbraw/zinc/42/43/63/569424363.db2.gz KUDOJPRCFNRPLW-KRWDZBQOSA-N -1 3 433.574 3.138 50 0 IGAAHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N(C)Cc3c(F)cccc3Cl)cc(C(C)C)nc21 ZINC000032078317 569459444 /nfs/dbraw/zinc/45/94/44/569459444.db2.gz MEELZYQVRUORNY-UHFFFAOYSA-N -1 3 432.883 3.293 50 0 IGAAHM CCOC(=O)c1csc(N2N=C(c3ccc(OC)cc3OC)C[C@]2([O-])C(F)(F)F)n1 ZINC000008753827 569473772 /nfs/dbraw/zinc/47/37/72/569473772.db2.gz NCRHXROTJHHNDS-KRWDZBQOSA-N -1 3 445.419 3.202 50 0 IGAAHM CCOC(=O)c1ccccc1NC(=O)CSc1nnc([N-]C(=O)c2ccco2)s1 ZINC000008823270 569477129 /nfs/dbraw/zinc/47/71/29/569477129.db2.gz MNBCZFQLZCHMTA-UHFFFAOYSA-N -1 3 432.483 3.291 50 0 IGAAHM Cc1cc(C(=O)CSc2n[n-]c(-c3cccs3)n2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000008944058 569488965 /nfs/dbraw/zinc/48/89/65/569488965.db2.gz HXJRWJFMLCHBJK-CYBMUJFWSA-N -1 3 436.584 3.286 50 0 IGAAHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1cccc(Oc2cnccn2)c1 ZINC000040157437 569494319 /nfs/dbraw/zinc/49/43/19/569494319.db2.gz CDHMFFKQKIVPMU-FQEVSTJZSA-N -1 3 444.488 3.350 50 0 IGAAHM Cc1cccc(CS(=O)(=O)[N-]C[C@H](c2cccnc2)S(=O)(=O)c2ccccc2)c1 ZINC000009005320 569496128 /nfs/dbraw/zinc/49/61/28/569496128.db2.gz JWUDDLMINQYTIC-OAQYLSRUSA-N -1 3 430.551 3.025 50 0 IGAAHM C[C@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2cc(C3CC3)nn2-c2ccccc2)C1=O ZINC000009054253 569498919 /nfs/dbraw/zinc/49/89/19/569498919.db2.gz FGQSJZAOYUYBEB-RUZDIDTESA-N -1 3 443.507 3.338 50 0 IGAAHM O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)[N-]Cc3cccs3)cc21 ZINC000040450485 569506377 /nfs/dbraw/zinc/50/63/77/569506377.db2.gz DFHCZYJMZNBVGR-UHFFFAOYSA-N -1 3 441.372 3.288 50 0 IGAAHM CC(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)C(C)(C)CO3)cc1 ZINC000009173642 569509650 /nfs/dbraw/zinc/50/96/50/569509650.db2.gz CQKWBKWYLQUDIZ-UHFFFAOYSA-N -1 3 431.514 3.439 50 0 IGAAHM Cc1cccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SC/C=C/c2ccccc2)c1 ZINC000009382001 569528197 /nfs/dbraw/zinc/52/81/97/569528197.db2.gz YYXNVHNTLASZRH-UXBLZVDNSA-N -1 3 431.521 3.349 50 0 IGAAHM CCCN(CCC)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccccn3)o2)cc1 ZINC000009428017 569533490 /nfs/dbraw/zinc/53/34/90/569533490.db2.gz UQBSRELGGMUIKC-UHFFFAOYSA-N -1 3 429.502 3.195 50 0 IGAAHM O=c1nc(CSc2nnnn2C[C@@H]2CCCO2)[n-]c2scc(-c3ccccc3)c21 ZINC000009647354 569556465 /nfs/dbraw/zinc/55/64/65/569556465.db2.gz LDOHAWWKPDUCNG-ZDUSSCGKSA-N -1 3 426.527 3.109 50 0 IGAAHM CCOC(=O)c1[n-]c(COC(=O)c2cc(=O)c3ccccc3o2)c(C(=O)OCC)c1C ZINC000009661960 569557088 /nfs/dbraw/zinc/55/70/88/569557088.db2.gz AOFXKYGCSWEKTG-UHFFFAOYSA-N -1 3 427.409 3.140 50 0 IGAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)N2c4ccccc4C[C@@H]2C)[n-]c3=O)cc1 ZINC000009712347 569562266 /nfs/dbraw/zinc/56/22/66/569562266.db2.gz PZWUBKPBZGJNCL-HNNXBMFYSA-N -1 3 431.521 3.487 50 0 IGAAHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 ZINC000077100748 569585489 /nfs/dbraw/zinc/58/54/89/569585489.db2.gz KPUDUMRGRCNZDU-LSDHHAIUSA-N -1 3 438.527 3.373 50 0 IGAAHM O=C(C(=C([O-])c1ccccc1)n1cc(Cl)ccc1=O)N1CCN(c2ccccc2)CC1 ZINC000009597224 132322787 /nfs/dbraw/zinc/32/27/87/132322787.db2.gz JOZGQZBSDQQKDX-QFIPXVFZSA-N -1 3 435.911 3.275 50 0 IGAAHM CCOC(=O)c1oc2ccccc2c1COC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000012787938 521608383 /nfs/dbraw/zinc/60/83/83/521608383.db2.gz JOWSNTFTIKLWMX-CYBMUJFWSA-N -1 3 449.456 3.159 50 0 IGAAHM CC[C@@H](C)Cc1c(C)sc2[n-]c(COC(=O)c3ccc(-n4cnnn4)cc3)nc(=O)c12 ZINC000022357372 522032818 /nfs/dbraw/zinc/03/28/18/522032818.db2.gz XQHUQFBYXPYXDY-GFCCVEGCSA-N -1 3 438.513 3.214 50 0 IGAAHM CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000012698765 525592949 /nfs/dbraw/zinc/59/29/49/525592949.db2.gz HRNHLTVGIBEBAH-INIZCTEOSA-N -1 3 430.921 3.010 50 0 IGAAHM CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000012698765 525592955 /nfs/dbraw/zinc/59/29/55/525592955.db2.gz HRNHLTVGIBEBAH-INIZCTEOSA-N -1 3 430.921 3.010 50 0 IGAAHM Cc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000015669264 525742714 /nfs/dbraw/zinc/74/27/14/525742714.db2.gz MCCUQINSXXOANX-UHFFFAOYSA-N -1 3 438.278 3.448 50 0 IGAAHM C[C@@]1(CSc2ccccc2C(=O)N2CCC(Cc3ccccc3)CC2)NC(=O)[N-]C1=O ZINC000012792058 525856177 /nfs/dbraw/zinc/85/61/77/525856177.db2.gz MJKRWFXIFZHVRV-DEOSSOPVSA-N -1 3 437.565 3.472 50 0 IGAAHM Cc1ccc(-n2c(SCC(=O)N3CCOc4ccc(C)cc43)nc3c2nc[n-]c3=O)cc1 ZINC000012462110 525898219 /nfs/dbraw/zinc/89/82/19/525898219.db2.gz FHRYOKXCAQIRCV-UHFFFAOYSA-N -1 3 447.520 3.243 50 0 biogenic,in-vitro IGAAHM O=C1c2cccnc2C(=O)N1Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000020935780 527136909 /nfs/dbraw/zinc/13/69/09/527136909.db2.gz FLRXAXKMJLMDJH-UHFFFAOYSA-N -1 3 447.394 3.096 50 0 IGAAHM O=S(=O)([N-]CCCOCC1CC1)c1cc(Br)ccc1Br ZINC000012905189 527215954 /nfs/dbraw/zinc/21/59/54/527215954.db2.gz NCFKVVKDDKTPMQ-UHFFFAOYSA-N -1 3 427.158 3.307 50 0 IGAAHM O=C(Nc1nnc(C2CC2)s1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000021293999 527534698 /nfs/dbraw/zinc/53/46/98/527534698.db2.gz DCHLWAFGFIYKML-INIZCTEOSA-N -1 3 446.529 3.083 50 0 IGAAHM O=C([N-]c1nnc(CCS(=O)(=O)c2ccc(Br)cc2)s1)c1ccco1 ZINC000000990872 555596289 /nfs/dbraw/zinc/59/62/89/555596289.db2.gz IZVPXEYTWMBOEI-UHFFFAOYSA-N -1 3 442.316 3.162 50 0 IGAAHM Cn1c(SCC(=O)NCc2ccccc2)nnc1-c1cc(Br)ccc1[O-] ZINC000002886481 555858370 /nfs/dbraw/zinc/85/83/70/555858370.db2.gz CEQONOKPJZDHII-UHFFFAOYSA-N -1 3 433.331 3.359 50 0 IGAAHM CCOC(=O)c1c(C)c(C)sc1[N-]C(=O)c1nc(S(=O)(=O)CC)ncc1Cl ZINC000008867347 556228294 /nfs/dbraw/zinc/22/82/94/556228294.db2.gz JOXSDJAOHIOGQS-UHFFFAOYSA-N -1 3 431.923 3.031 50 0 IGAAHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)NCCc1ccccc1 ZINC000009235420 556263535 /nfs/dbraw/zinc/26/35/35/556263535.db2.gz BAJRFLPMMOSVJD-UHFFFAOYSA-N -1 3 433.331 3.391 50 0 IGAAHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)NCCc1ccccc1 ZINC000009235420 556263538 /nfs/dbraw/zinc/26/35/38/556263538.db2.gz BAJRFLPMMOSVJD-UHFFFAOYSA-N -1 3 433.331 3.391 50 0 IGAAHM CSCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1nccs1 ZINC000016641524 556619712 /nfs/dbraw/zinc/61/97/12/556619712.db2.gz JZDHRDZOQZYZIY-LLVKDONJSA-N -1 3 440.399 3.489 50 0 IGAAHM CC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000100563742 556620732 /nfs/dbraw/zinc/62/07/32/556620732.db2.gz HCFSDELSXXTONQ-FUHWJXTLSA-N -1 3 426.270 3.081 50 0 IGAAHM Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1Cl ZINC000011997734 556679300 /nfs/dbraw/zinc/67/93/00/556679300.db2.gz PGHATJVIPUOFMK-UHFFFAOYSA-N -1 3 449.337 3.169 50 0 IGAAHM CC[C@H](C)NC(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000033033987 556715666 /nfs/dbraw/zinc/71/56/66/556715666.db2.gz PYLXTVNGLLXKSM-SFHVURJKSA-N -1 3 444.601 3.042 50 0 IGAAHM CS(=O)(=O)c1ccc2nc([N-]C(=O)c3coc(NC(=O)c4cccs4)n3)sc2c1 ZINC000062023071 556766620 /nfs/dbraw/zinc/76/66/20/556766620.db2.gz LJAHEJDUQXDKFT-UHFFFAOYSA-N -1 3 448.507 3.254 50 0 IGAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc(Br)c1)CC(=O)N2 ZINC000046074052 557030183 /nfs/dbraw/zinc/03/01/83/557030183.db2.gz SJVACZNSJKGCOM-LLVKDONJSA-N -1 3 437.319 3.099 50 0 IGAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc(C(F)(F)F)c1)CC(=O)N2 ZINC000046074078 557030315 /nfs/dbraw/zinc/03/03/15/557030315.db2.gz YRPBBDIYJCBYRC-NSHDSACASA-N -1 3 426.420 3.355 50 0 IGAAHM O=c1cc(Cc2nnc(SCc3c(F)cccc3Cl)n2-c2ccccc2)[nH]c(=O)[n-]1 ZINC000017192649 557037331 /nfs/dbraw/zinc/03/73/31/557037331.db2.gz ZMVFEXKLWNDMOS-UHFFFAOYSA-N -1 3 443.891 3.320 50 0 IGAAHM Cc1csc2nc(CN3CCC(C(=O)Nc4cc(Cl)ccc4[O-])CC3)cc(=O)n12 ZINC000048287439 557053260 /nfs/dbraw/zinc/05/32/60/557053260.db2.gz NVZLNISDDRQEKM-UHFFFAOYSA-N -1 3 432.933 3.274 50 0 IGAAHM Cc1noc(/C=C/c2ccc(S(=O)(=O)[N-]C[C@H]3CCCO3)s2)c1NC(=O)C1CC1 ZINC000033306633 557085693 /nfs/dbraw/zinc/08/56/93/557085693.db2.gz NMROJXSDZHUNHJ-IZPAUZPXSA-N -1 3 437.543 3.021 50 0 IGAAHM C[C@@H](Sc1nc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C1CC1)C(=O)NC1CCCCC1 ZINC000023561756 557098655 /nfs/dbraw/zinc/09/86/55/557098655.db2.gz ATCVGCDDHJMXHO-LLVKDONJSA-N -1 3 429.546 3.034 50 0 IGAAHM COc1ccc(CC[N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)cc1OC ZINC000000703778 557138240 /nfs/dbraw/zinc/13/82/40/557138240.db2.gz SLYLEYZXDYCYEC-UHFFFAOYSA-N -1 3 435.727 3.036 50 0 IGAAHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)c(F)cc1F ZINC000024428230 557326118 /nfs/dbraw/zinc/32/61/18/557326118.db2.gz RXDITSJPNQXKAJ-UHFFFAOYSA-N -1 3 436.230 3.323 50 0 IGAAHM COC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1 ZINC000102708820 557367527 /nfs/dbraw/zinc/36/75/27/557367527.db2.gz HGEYGPHKXWJQND-FDFHNCONSA-N -1 3 444.443 3.230 50 0 IGAAHM CN(C(=O)CSc1nc2[n-]ncc2c(=O)n1-c1ccc(F)c(F)c1)c1ccccc1 ZINC000051316762 557465426 /nfs/dbraw/zinc/46/54/26/557465426.db2.gz KEWDUKVVGHGNEA-UHFFFAOYSA-N -1 3 427.436 3.142 50 0 IGAAHM CN(C(=O)CSc1nc2n[n-]cc2c(=O)n1-c1ccc(F)c(F)c1)c1ccccc1 ZINC000051316762 557465427 /nfs/dbraw/zinc/46/54/27/557465427.db2.gz KEWDUKVVGHGNEA-UHFFFAOYSA-N -1 3 427.436 3.142 50 0 IGAAHM Cc1ccc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccc(F)c(F)c2)cc1 ZINC000051316755 557465480 /nfs/dbraw/zinc/46/54/80/557465480.db2.gz WWEAZKTYPKCRPT-UHFFFAOYSA-N -1 3 427.436 3.426 50 0 IGAAHM Cc1ccc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccc(F)c(F)c2)cc1 ZINC000051316755 557465482 /nfs/dbraw/zinc/46/54/82/557465482.db2.gz WWEAZKTYPKCRPT-UHFFFAOYSA-N -1 3 427.436 3.426 50 0 IGAAHM CCN(c1ccc([C@]([O-])(C(=O)OC)C(F)(F)F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000004015601 562940783 /nfs/dbraw/zinc/94/07/83/562940783.db2.gz SVSJUNZYYITEBY-SFHVURJKSA-N -1 3 431.432 3.133 50 0 IGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)cc1Br ZINC000008670851 562960777 /nfs/dbraw/zinc/96/07/77/562960777.db2.gz MWDINIJEFGRNRB-UHFFFAOYSA-N -1 3 427.320 3.095 50 0 IGAAHM CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(Br)c([O-])c(OC)c2)C1=O ZINC000001160549 568664289 /nfs/dbraw/zinc/66/42/89/568664289.db2.gz MGRKFGKYPUJTQX-VQLBTBKJSA-N -1 3 430.276 3.151 50 0 IGAAHM O=c1occ(CN2CCCCC2)c([O-])c1CN1CCN(Cc2ccccc2Cl)CC1 ZINC000218541218 568759880 /nfs/dbraw/zinc/75/98/80/568759880.db2.gz MELRZSKTCUBKOH-UHFFFAOYSA-N -1 3 431.964 3.303 50 0 IGAAHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1ccc(Oc2ncccn2)cc1 ZINC000084005133 568789702 /nfs/dbraw/zinc/78/97/02/568789702.db2.gz ICEHIUYTBZPDQV-UHFFFAOYSA-N -1 3 428.452 3.294 50 0 IGAAHM C[C@H](OC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000084037502 568790206 /nfs/dbraw/zinc/79/02/06/568790206.db2.gz AXAZOMHSJHKDMP-LFPIHBKWSA-N -1 3 437.496 3.223 50 0 IGAAHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc3c(cc2Br)OCCO3)cc1 ZINC000016120824 568871166 /nfs/dbraw/zinc/87/11/66/568871166.db2.gz LLSRLKKUPOZJRS-UHFFFAOYSA-N -1 3 442.287 3.198 50 0 IGAAHM CCc1ccccc1N(C)S(=O)(=O)c1ccc2ncc(C(=O)NC(C)C)c([O-])c2c1 ZINC000006296638 568882390 /nfs/dbraw/zinc/88/23/90/568882390.db2.gz LNNPWRRVXRTOMT-UHFFFAOYSA-N -1 3 427.526 3.054 50 0 IGAAHM Cc1cc(C)n(-c2nc(CC[N-]S(=O)(=O)c3ccc(Br)s3)cs2)n1 ZINC000090609404 568891428 /nfs/dbraw/zinc/89/14/28/568891428.db2.gz HJLGYOFFXGHKIG-UHFFFAOYSA-N -1 3 447.405 3.291 50 0 IGAAHM CCn1c(=O)[n-]c(=O)c2c(C(=O)Nc3n[nH]c4c3cccc4Cl)cc(C(C)C)nc21 ZINC000089302553 568920421 /nfs/dbraw/zinc/92/04/21/568920421.db2.gz ONLAXXZLSHDFKE-UHFFFAOYSA-N -1 3 426.864 3.010 50 0 IGAAHM COc1cccc(C=NNc2[n-]c(=O)nnc2C)c1OCc1ccc(Br)cc1 ZINC000252477154 568923077 /nfs/dbraw/zinc/92/30/77/568923077.db2.gz JDYPBKOARUYKEK-UHFFFAOYSA-N -1 3 444.289 3.269 50 0 IGAAHM Cc1oc(C(=O)[N-]c2cncc(Br)c2Cl)cc1S(=O)(=O)N1CCCC1 ZINC000089536605 568936566 /nfs/dbraw/zinc/93/65/66/568936566.db2.gz FXQCOZAVNFPZNE-UHFFFAOYSA-N -1 3 448.726 3.436 50 0 IGAAHM CCOC(=O)[C@@H]1CCCN([C@H](c2sc3nc(CC)nn3c2[O-])c2cccc(OC)c2)C1 ZINC000016690074 568938459 /nfs/dbraw/zinc/93/84/59/568938459.db2.gz CRAKOLVKNRAHQG-QAPCUYQASA-N -1 3 444.557 3.432 50 0 IGAAHM CCOC(=O)C1CCN(Cc2nc(=O)c3c(-c4ccccc4OC)csc3[n-]2)CC1 ZINC000036204173 568972503 /nfs/dbraw/zinc/97/25/03/568972503.db2.gz QVXLPMNVGBUTGL-UHFFFAOYSA-N -1 3 427.526 3.435 50 0 IGAAHM CCn1nnc2cc(-c3noc([C@H]([N-]S(=O)(=O)c4ccc(C)cc4)C(C)C)n3)ccc21 ZINC000064979899 569078267 /nfs/dbraw/zinc/07/82/67/569078267.db2.gz SZWICAMKQSCFSW-LJQANCHMSA-N -1 3 440.529 3.485 50 0 IGAAHM CCCc1ccc(S(=O)(=O)NCc2nnc(C(=O)[N-]c3ccccc3F)s2)cc1 ZINC000064991742 569084707 /nfs/dbraw/zinc/08/47/07/569084707.db2.gz JQEXSDWEWFVUFZ-UHFFFAOYSA-N -1 3 434.518 3.361 50 0 IGAAHM CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])N1CCN(Cc2cccnc2)CC1 ZINC000036366547 569087277 /nfs/dbraw/zinc/08/72/77/569087277.db2.gz RWQYTFRBPYKMJU-QFIPXVFZSA-N -1 3 435.528 3.101 50 0 IGAAHM COc1ccccc1-n1ncc2c1nc(SCC(=O)Nc1ccc(F)cc1)[n-]c2=O ZINC000016974284 569168605 /nfs/dbraw/zinc/16/86/05/569168605.db2.gz UFJQLFNLDMZPAS-UHFFFAOYSA-N -1 3 425.445 3.400 50 0 IGAAHM Cc1cc(N2CCOCC2)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n1 ZINC000017013744 569170811 /nfs/dbraw/zinc/17/08/11/569170811.db2.gz FMDRWNGKDNGQSB-UHFFFAOYSA-N -1 3 443.504 3.305 50 0 IGAAHM Cc1cccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCc2cc(C)ccc2C)c1 ZINC000017135595 569174390 /nfs/dbraw/zinc/17/43/90/569174390.db2.gz LTUSZGTXKOFHHZ-UHFFFAOYSA-N -1 3 433.537 3.452 50 0 IGAAHM COC(=O)[C@]([N-]c1ccc(OC(F)(F)F)cc1)(NC(=O)c1ccco1)C(F)(F)F ZINC000002191919 569190690 /nfs/dbraw/zinc/19/06/90/569190690.db2.gz MFUIUEQCPGQJSV-AWEZNQCLSA-N -1 3 426.269 3.452 50 0 IGAAHM CCSc1nnc(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)s1 ZINC000002717778 569212685 /nfs/dbraw/zinc/21/26/85/569212685.db2.gz FVJKGRBPHRPHTH-UHFFFAOYSA-N -1 3 445.555 3.215 50 0 IGAAHM O=S(=O)([N-]C[C@](O)(c1ccsc1)c1ccco1)c1ccc(Br)s1 ZINC000253471863 569282660 /nfs/dbraw/zinc/28/26/60/569282660.db2.gz GGIIEGDZVFZJOR-AWEZNQCLSA-N -1 3 434.358 3.380 50 0 IGAAHM CCCN(CC(=O)NC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000253531019 569283931 /nfs/dbraw/zinc/28/39/31/569283931.db2.gz XLJQXOVDFNNFNI-RBSFLKMASA-N -1 3 433.578 3.259 50 0 IGAAHM CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)N(CC)CC)cc(Br)c1[O-] ZINC000013042164 569308312 /nfs/dbraw/zinc/30/83/12/569308312.db2.gz NFRWMWQZKDNIJC-HNNXBMFYSA-N -1 3 442.379 3.215 50 0 IGAAHM CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)ccc1Cl ZINC000328594519 569317530 /nfs/dbraw/zinc/31/75/30/569317530.db2.gz PYEPUDUAUMXMCM-UHFFFAOYSA-N -1 3 432.926 3.284 50 0 IGAAHM Cc1ccc(S(=O)(=O)[N-][C@]2(C(F)(F)F)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000020069666 569333312 /nfs/dbraw/zinc/33/33/12/569333312.db2.gz NNZKNIRGFHXDQB-MRXNPFEDSA-N -1 3 447.822 3.146 50 0 IGAAHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-]CCCN(C)c2ccccc2)s1 ZINC000095455463 569368563 /nfs/dbraw/zinc/36/85/63/569368563.db2.gz MDTFLDPGWRORRJ-UHFFFAOYSA-N -1 3 437.631 3.258 50 0 IGAAHM CS(=O)(=O)[N-]c1ccc2nc(SCC(=O)NCc3ccc(F)cc3)sc2c1 ZINC000096399486 569400012 /nfs/dbraw/zinc/40/00/12/569400012.db2.gz XEDIHPAZGBKDKD-UHFFFAOYSA-N -1 3 425.532 3.215 50 0 IGAAHM COc1ccc(CCN2C(=O)N(C(C)C)[C@H](N([O-])C(=O)NC(C)C)C2(C)C)cc1OC ZINC000008740309 569472825 /nfs/dbraw/zinc/47/28/25/569472825.db2.gz XNTHASYSJKNUEU-LJQANCHMSA-N -1 3 436.553 3.306 50 0 IGAAHM COc1cc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C)cc(Br)c1[O-] ZINC000008845620 569478831 /nfs/dbraw/zinc/47/88/31/569478831.db2.gz ACXVAFZJNUJTDF-KRWDZBQOSA-N -1 3 430.258 3.434 50 0 IGAAHM CCN1CCN(c2ncc(-c3cc(=O)[n-]c(Nc4ccc(Cl)cc4)n3)c(C)n2)CC1 ZINC000039383773 569481574 /nfs/dbraw/zinc/48/15/74/569481574.db2.gz VJFHMVMOTAEUCF-UHFFFAOYSA-N -1 3 425.924 3.074 50 0 IGAAHM CCOC(=O)[N-]C(=O)C(=CNc1ccccc1-c1ccccc1)C(=O)NC(=O)OCC ZINC000039929749 569482022 /nfs/dbraw/zinc/48/20/22/569482022.db2.gz UTCAACNQFDQHQQ-UHFFFAOYSA-N -1 3 425.441 3.195 50 0 IGAAHM CSCC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1nnc2ccccn21 ZINC000008971431 569492763 /nfs/dbraw/zinc/49/27/63/569492763.db2.gz HKQIYBOSHUWWET-GFCCVEGCSA-N -1 3 432.358 3.204 50 0 IGAAHM C[C@H]1CCCN(C(=O)COC(=O)c2cccc([N-]S(=O)(=O)Cc3ccccc3)c2)C1 ZINC000040150458 569493184 /nfs/dbraw/zinc/49/31/84/569493184.db2.gz DPDYOUROERKLIS-KRWDZBQOSA-N -1 3 430.526 3.044 50 0 IGAAHM Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000040154525 569493776 /nfs/dbraw/zinc/49/37/76/569493776.db2.gz AIGNGSUVOXSGAY-AWEZNQCLSA-N -1 3 433.940 3.074 50 0 IGAAHM O=S(=O)([N-]C[C@H](c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc(Cl)s1 ZINC000009005316 569496115 /nfs/dbraw/zinc/49/61/15/569496115.db2.gz HOLQLJFPYMINKX-OAHLLOKOSA-N -1 3 442.971 3.290 50 0 IGAAHM CCOC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC1 ZINC000009096990 569501456 /nfs/dbraw/zinc/50/14/56/569501456.db2.gz NYDNZGDHYCOVQV-UHFFFAOYSA-N -1 3 434.489 3.042 50 0 IGAAHM CCOc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)ccc1OC ZINC000245391997 569506255 /nfs/dbraw/zinc/50/62/55/569506255.db2.gz WLLPRYOIDRRSSP-FUHIMQAGSA-N -1 3 438.402 3.198 50 0 IGAAHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)c(C)c1 ZINC000009170184 569509264 /nfs/dbraw/zinc/50/92/64/569509264.db2.gz OJDPGUGSRYMXCJ-UHFFFAOYSA-N -1 3 431.514 3.136 50 0 IGAAHM Cn1c(SCC(=O)Nc2ccccc2O)nnc1-c1cc(Br)ccc1[O-] ZINC000009189631 569510492 /nfs/dbraw/zinc/51/04/92/569510492.db2.gz ZDZZJGGJDKUPEA-UHFFFAOYSA-N -1 3 435.303 3.387 50 0 IGAAHM Cc1ccc(CC(=O)N2CCC[C@H](c3nc4c(nnn4Cc4cccs4)c(=O)[n-]3)C2)cc1 ZINC000009195414 569511005 /nfs/dbraw/zinc/51/10/05/569511005.db2.gz KUDZWSOHNDBSGS-KRWDZBQOSA-N -1 3 448.552 3.294 50 0 IGAAHM CS(=O)(=O)[N-]c1ccc(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)cc1 ZINC000009203436 569511272 /nfs/dbraw/zinc/51/12/72/569511272.db2.gz PMMWZUYRORYEST-UHFFFAOYSA-N -1 3 428.539 3.491 50 0 IGAAHM CS(=O)(=O)[N-]c1ccc(C(=O)CSc2nnc(-c3ccncc3)n2C2CC2)cc1 ZINC000009378520 569527646 /nfs/dbraw/zinc/52/76/46/569527646.db2.gz KZZXMIALCQBRAL-UHFFFAOYSA-N -1 3 429.527 3.022 50 0 IGAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)NCCc3c[nH]c4ccc(F)cc34)cc2O1 ZINC000009410669 569531429 /nfs/dbraw/zinc/53/14/29/569531429.db2.gz ZBDDMSUYGNZXFD-UHFFFAOYSA-N -1 3 426.444 3.494 50 0 IGAAHM C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1)c1ccc2c(c1)OCCO2 ZINC000009412625 569531572 /nfs/dbraw/zinc/53/15/72/569531572.db2.gz NEYDQPPXQCNRAL-GFCCVEGCSA-N -1 3 436.917 3.043 50 0 IGAAHM CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccco3)o2)cc1 ZINC000009427870 569533409 /nfs/dbraw/zinc/53/34/09/569533409.db2.gz WBTLXXWUTIVVAC-UHFFFAOYSA-N -1 3 438.465 3.403 50 0 IGAAHM Cc1nnc(NC(=O)CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)s1 ZINC000009521335 569544418 /nfs/dbraw/zinc/54/44/18/569544418.db2.gz VGRYRVYXOVIWPF-UHFFFAOYSA-N -1 3 433.906 3.065 50 0 IGAAHM CC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000009600680 569551516 /nfs/dbraw/zinc/55/15/16/569551516.db2.gz SCWKJNHVCPSDBA-WMZOPIPTSA-N -1 3 426.270 3.081 50 0 IGAAHM CC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000009600673 569551550 /nfs/dbraw/zinc/55/15/50/569551550.db2.gz HCFSDELSXXTONQ-AEFFLSMTSA-N -1 3 426.270 3.081 50 0 IGAAHM CC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000009600679 569551564 /nfs/dbraw/zinc/55/15/64/569551564.db2.gz SCWKJNHVCPSDBA-AEFFLSMTSA-N -1 3 426.270 3.081 50 0 IGAAHM COCCn1c(C)cc(C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1C ZINC000009782878 569567747 /nfs/dbraw/zinc/56/77/47/569567747.db2.gz HVVZWUBXJGETOF-UHFFFAOYSA-N -1 3 437.525 3.149 50 0 IGAAHM CS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC000009815199 569569230 /nfs/dbraw/zinc/56/92/30/569569230.db2.gz WYUKHKQSLOJOTC-UHFFFAOYSA-N -1 3 448.497 3.282 50 0 IGAAHM O=c1ccc(-c2ccc(F)cc2)nn1CC[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000009844629 569570900 /nfs/dbraw/zinc/57/09/00/569570900.db2.gz CZRYNCSJRVNYJA-UHFFFAOYSA-N -1 3 441.406 3.047 50 0 IGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1Cl ZINC000008608816 132287768 /nfs/dbraw/zinc/28/77/68/132287768.db2.gz CLWPVANVYOHGFH-UHFFFAOYSA-N -1 3 430.935 3.079 50 0 IGAAHM CC(C)c1ccc(NC(=O)CSc2nc3c(nc[n-]c3=O)n2C[C@@H]2CCCO2)cc1 ZINC000020550304 519837096 /nfs/dbraw/zinc/83/70/96/519837096.db2.gz CDBKAOUWCVDLGF-INIZCTEOSA-N -1 3 427.530 3.153 50 0 IGAAHM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccccc1Cl ZINC000012413291 520842980 /nfs/dbraw/zinc/84/29/80/520842980.db2.gz ODQDSONVCKWRCT-MRXNPFEDSA-N -1 3 427.906 3.330 50 0 IGAAHM COc1cc(NC(=O)N2CCc3nc(Cc4ccccc4C)[n-]c(=O)c3C2)cc(OC)c1 ZINC000035819016 522688603 /nfs/dbraw/zinc/68/86/03/522688603.db2.gz DUNZTZKBQIHHJN-UHFFFAOYSA-N -1 3 434.496 3.277 50 0 IGAAHM C[C@@H](CCc1ccccc1)n1c(=O)[nH]c([O-])c([C@@H]2NCCc3c4ccccc4[nH]c32)c1=O ZINC000020757317 524536405 /nfs/dbraw/zinc/53/64/05/524536405.db2.gz RBPLPCIJFWKKGD-NYHFZMIOSA-N -1 3 430.508 3.152 50 0 IGAAHM C[C@@H](CCc1ccccc1)n1c([O-])c([C@@H]2NCCc3c4ccccc4[nH]c32)c(=O)[nH]c1=O ZINC000020757317 524536414 /nfs/dbraw/zinc/53/64/14/524536414.db2.gz RBPLPCIJFWKKGD-NYHFZMIOSA-N -1 3 430.508 3.152 50 0 IGAAHM COc1ccccc1NC(=O)CSc1nc2c(c(=O)[n-]1)CN(Cc1ccccc1)CC2 ZINC000020467730 524597517 /nfs/dbraw/zinc/59/75/17/524597517.db2.gz BVEPXSWYSZGRFH-UHFFFAOYSA-N -1 3 436.537 3.480 50 0 IGAAHM CSc1ccccc1NC(=O)[C@H](C)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000012854138 526175519 /nfs/dbraw/zinc/17/55/19/526175519.db2.gz LHAYUBJYLQZEPD-AWEZNQCLSA-N -1 3 439.628 3.240 50 0 IGAAHM O=C([O-])[C@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)N1CCN(c2ncccn2)CC1 ZINC000020718054 526315676 /nfs/dbraw/zinc/31/56/76/526315676.db2.gz PSJOIJGUWHAGAD-QHCPKHFHSA-N -1 3 443.507 3.485 50 0 IGAAHM O=C([N-]c1cc(F)ccc1F)c1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)o1 ZINC000035597459 527127133 /nfs/dbraw/zinc/12/71/33/527127133.db2.gz NWYHKYCATHYYBW-UHFFFAOYSA-N -1 3 436.392 3.017 50 0 IGAAHM COc1ccc(S(=O)(=O)[N-]c2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)cc1 ZINC000000694710 555542596 /nfs/dbraw/zinc/54/25/96/555542596.db2.gz DIVNJCISTBBBBN-UHFFFAOYSA-N -1 3 448.522 3.305 50 0 IGAAHM CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc(Br)c1[O-] ZINC000000981656 555593726 /nfs/dbraw/zinc/59/37/26/555593726.db2.gz AZMPOZLIBVZMOR-LQGZHCLWSA-N -1 3 430.276 3.151 50 0 IGAAHM CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1cc(Br)c([O-])c(OC)c1 ZINC000001144894 555652736 /nfs/dbraw/zinc/65/27/36/555652736.db2.gz DJSKIKZNDRQNLD-UHFFFAOYSA-N -1 3 440.290 3.086 50 0 IGAAHM Cc1ccccc1N(C)S(=O)(=O)c1ccc2ncc(C(=O)N3CCCCC3)c([O-])c2c1 ZINC000009490596 555695369 /nfs/dbraw/zinc/69/53/69/555695369.db2.gz UVTLWSIQDIXEIC-UHFFFAOYSA-N -1 3 439.537 3.288 50 0 IGAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)Cn2nc(C(F)F)c(Br)c2C2CC2)N1 ZINC000013960027 556347036 /nfs/dbraw/zinc/34/70/36/556347036.db2.gz BZNYFMWPYLJOHB-ZDUSSCGKSA-N -1 3 445.186 3.320 50 0 IGAAHM Cc1ccccc1OCc1nc(SCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)n[n-]1 ZINC000014182931 556383188 /nfs/dbraw/zinc/38/31/88/556383188.db2.gz LVLYEFIZHRTUJA-UHFFFAOYSA-N -1 3 425.514 3.231 50 0 IGAAHM C[C@H](OC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032672055 556414803 /nfs/dbraw/zinc/41/48/03/556414803.db2.gz URSYOYIEQAWLQP-YWZLYKJASA-N -1 3 447.509 3.044 50 0 IGAAHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000014372421 556415059 /nfs/dbraw/zinc/41/50/59/556415059.db2.gz RLQVQDJWTPCNLW-ZDUSSCGKSA-N -1 3 434.930 3.100 50 0 IGAAHM C[C@@H](OC(=O)C1=Cc2cc(Cl)ccc2OC1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032829587 556416195 /nfs/dbraw/zinc/41/61/95/556416195.db2.gz JCDCTAVDPKUYKH-GFCCVEGCSA-N -1 3 435.885 3.302 50 0 IGAAHM O=C(Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)c1cc2c(c(Cl)c1)OCO2 ZINC000015100321 556503569 /nfs/dbraw/zinc/50/35/69/556503569.db2.gz SOSYLRHOOLXRHZ-UHFFFAOYSA-N -1 3 436.795 3.162 50 0 IGAAHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000032895711 556515506 /nfs/dbraw/zinc/51/55/06/556515506.db2.gz OINQAWOOOGGELA-QGZVFWFLSA-N -1 3 425.528 3.372 50 0 IGAAHM Cc1ccc(Cc2nn3c(nnc3SCC(=O)Nc3cc(C)cc(C)c3)[n-]c2=O)cc1 ZINC000015882068 556561358 /nfs/dbraw/zinc/56/13/58/556561358.db2.gz YEXMDACQYOVANZ-UHFFFAOYSA-N -1 3 434.525 3.472 50 0 IGAAHM Cc1nc(N2CCOCC2)ncc1-c1cc(=O)[n-]c(Nc2cccc(C(F)(F)F)c2)n1 ZINC000036235505 556595040 /nfs/dbraw/zinc/59/50/40/556595040.db2.gz BAZHCNDYVBVBHO-UHFFFAOYSA-N -1 3 432.406 3.134 50 0 IGAAHM CC(=O)Cc1nsc([N-]C(=O)c2nnn(-c3ccc(Br)cc3)c2C(C)C)n1 ZINC000016647823 556619993 /nfs/dbraw/zinc/61/99/93/556619993.db2.gz GMBAFXLUNKRIDS-UHFFFAOYSA-N -1 3 449.334 3.389 50 0 IGAAHM Cc1nn2c(nnc3c2ccn([N-]C(=O)c2ccccc2Cl)c3=O)c1-c1ccccc1 ZINC000040391029 556637689 /nfs/dbraw/zinc/63/76/89/556637689.db2.gz FLAJICMTQJIYDG-UHFFFAOYSA-N -1 3 430.855 3.452 50 0 IGAAHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(OCc3ccncc3)c2)ccc1Cl ZINC000032921881 556643088 /nfs/dbraw/zinc/64/30/88/556643088.db2.gz MPWFQEWYSGWALX-UHFFFAOYSA-N -1 3 431.901 3.474 50 0 IGAAHM COC(=O)[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)c1ccccc1 ZINC000072313090 556688382 /nfs/dbraw/zinc/68/83/82/556688382.db2.gz WAQHSNRGLBTOSL-BDJLRTHQSA-N -1 3 430.295 3.417 50 0 IGAAHM COC(=O)[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)c1ccccc1 ZINC000072313089 556688465 /nfs/dbraw/zinc/68/84/65/556688465.db2.gz WAQHSNRGLBTOSL-MEDUHNTESA-N -1 3 430.295 3.417 50 0 IGAAHM Cc1cc(Nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)nc(N2CCOCC2)n1 ZINC000064801941 556689480 /nfs/dbraw/zinc/68/94/80/556689480.db2.gz FVKXWWZXIHCRRM-UHFFFAOYSA-N -1 3 443.504 3.305 50 0 IGAAHM CN(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1ccco1 ZINC000033024267 556694807 /nfs/dbraw/zinc/69/48/07/556694807.db2.gz JLWBAZHOYBWJAG-LJQANCHMSA-N -1 3 431.489 3.252 50 0 IGAAHM Cc1nc(S(=O)(=O)[N-]CCC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cn1C ZINC000058163107 556766194 /nfs/dbraw/zinc/76/61/94/556766194.db2.gz PJQLALSXONUQFA-UHFFFAOYSA-N -1 3 448.932 3.481 50 0 IGAAHM O=S(=O)([N-]CCCn1cccn1)c1csc(-c2ccc(Br)cc2)n1 ZINC000058179678 556769911 /nfs/dbraw/zinc/76/99/11/556769911.db2.gz JAXTWQJGYMENLD-UHFFFAOYSA-N -1 3 427.349 3.138 50 0 IGAAHM CC[C@@H](C)c1ccc(S(=O)(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000010680198 557000691 /nfs/dbraw/zinc/00/06/91/557000691.db2.gz XURHOASWNAPIPB-OAHLLOKOSA-N -1 3 442.628 3.393 50 0 IGAAHM O=C(Nc1ccccc1F)C1CC(=O)Nc2nc(SCc3ccc(F)cc3)[n-]c(=O)c21 ZINC000046075379 557032025 /nfs/dbraw/zinc/03/20/25/557032025.db2.gz MFNVYUGVLMCQSD-CYBMUJFWSA-N -1 3 442.447 3.405 50 0 IGAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NC(C)C)c3c2)cc1 ZINC000017300479 557052693 /nfs/dbraw/zinc/05/26/93/557052693.db2.gz JWXXDIKYQLUCKP-UHFFFAOYSA-N -1 3 429.498 3.278 50 0 IGAAHM Cc1ccc2c(c1)CCCN2C(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2Cc1ccccc1 ZINC000048300497 557062379 /nfs/dbraw/zinc/06/23/79/557062379.db2.gz KVIRIJUUVQILHM-UHFFFAOYSA-N -1 3 426.476 3.447 50 0 IGAAHM COc1ccc(-c2noc(CSc3nc4[n-]ncc4c(=O)n3-c3ccccc3)n2)cc1 ZINC000033292198 557070062 /nfs/dbraw/zinc/07/00/62/557070062.db2.gz YJHZRMSOPJGFIQ-UHFFFAOYSA-N -1 3 432.465 3.460 50 0 IGAAHM COc1ccc(-c2noc(CSc3nc4n[n-]cc4c(=O)n3-c3ccccc3)n2)cc1 ZINC000033292198 557070064 /nfs/dbraw/zinc/07/00/64/557070064.db2.gz YJHZRMSOPJGFIQ-UHFFFAOYSA-N -1 3 432.465 3.460 50 0 IGAAHM COc1ccc(CN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1F ZINC000023735148 557111700 /nfs/dbraw/zinc/11/17/00/557111700.db2.gz AAWGXWZKPBFJQP-LBPRGKRZSA-N -1 3 448.438 3.179 50 0 IGAAHM CS(=O)(=O)[N-]c1cc(NC(=O)[C@H](NC(=O)c2cccs2)c2ccccc2)ccc1F ZINC000025670664 557221379 /nfs/dbraw/zinc/22/13/79/557221379.db2.gz ZHMUAHKSSQKZFA-GOSISDBHSA-N -1 3 447.513 3.369 50 0 IGAAHM CC(=O)c1sc(NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)nc1-c1ccccc1 ZINC000018119229 557238382 /nfs/dbraw/zinc/23/83/82/557238382.db2.gz AVVIPBOFTHXWMC-UHFFFAOYSA-N -1 3 434.477 3.457 50 0 IGAAHM COc1ccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2C)cc1 ZINC000101628925 557291698 /nfs/dbraw/zinc/29/16/98/557291698.db2.gz PUKSCKWMYHNQMF-PMACEKPBSA-N -1 3 442.537 3.480 50 0 IGAAHM COc1ccc(C2=NOC3=C([O-])N(c4ccc(C)cc4Br)C(=O)[C@@H]23)cc1OC ZINC000102557275 557358995 /nfs/dbraw/zinc/35/89/95/557358995.db2.gz DKRPKERPYQBJLG-WMZOPIPTSA-N -1 3 445.269 3.067 50 0 IGAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1)NCc1ccc(F)cc1Cl ZINC000051316743 557465518 /nfs/dbraw/zinc/46/55/18/557465518.db2.gz DJFVQTWGJNZHKP-UHFFFAOYSA-N -1 3 443.891 3.310 50 0 IGAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1)NCc1ccc(F)cc1Cl ZINC000051316743 557465520 /nfs/dbraw/zinc/46/55/20/557465520.db2.gz DJFVQTWGJNZHKP-UHFFFAOYSA-N -1 3 443.891 3.310 50 0 IGAAHM CN(C(=O)CSc1nc2[n-]ncc2c(=O)n1-c1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC000051316794 557465803 /nfs/dbraw/zinc/46/58/03/557465803.db2.gz ZKNJWAUCINYLTQ-UHFFFAOYSA-N -1 3 445.426 3.281 50 0 IGAAHM CN(C(=O)CSc1nc2n[n-]cc2c(=O)n1-c1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC000051316794 557465805 /nfs/dbraw/zinc/46/58/05/557465805.db2.gz ZKNJWAUCINYLTQ-UHFFFAOYSA-N -1 3 445.426 3.281 50 0 IGAAHM COCCn1c2ccccc2nc1SCc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000008582876 562949666 /nfs/dbraw/zinc/94/96/66/562949666.db2.gz KBINXWPNXPWKIF-UHFFFAOYSA-N -1 3 444.538 3.368 50 0 IGAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3nc4ncccn4n3)cc2)c(C)c1 ZINC000000923947 568637715 /nfs/dbraw/zinc/63/77/15/568637715.db2.gz MTLYOUHKCRHJIS-UHFFFAOYSA-N -1 3 436.497 3.103 50 0 IGAAHM CCOc1cc([C@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OC(=O)c1cccs1 ZINC000015832905 568842140 /nfs/dbraw/zinc/84/21/40/568842140.db2.gz ABCKKFVOLCXSEV-QGZVFWFLSA-N -1 3 433.511 3.367 50 0 IGAAHM CC[C@@H](C)NC(=O)c1cnc2ccc(S(=O)(=O)N(C)c3ccccc3C)cc2c1[O-] ZINC000006181299 568868311 /nfs/dbraw/zinc/86/83/11/568868311.db2.gz AZVCQQXBUCEKHO-OAHLLOKOSA-N -1 3 427.526 3.190 50 0 IGAAHM Cc1nc(CN2C(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(C(C)C)cc4)cc32)no1 ZINC000064450608 568928687 /nfs/dbraw/zinc/92/86/87/568928687.db2.gz VHXJEUMWXQRXNT-UHFFFAOYSA-N -1 3 442.497 3.228 50 0 IGAAHM Cc1cc(Nc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2)nc(N2CCOCC2)n1 ZINC000064801960 568961750 /nfs/dbraw/zinc/96/17/50/568961750.db2.gz ACWGMVHYCYINMW-UHFFFAOYSA-N -1 3 443.504 3.305 50 0 IGAAHM O=C(Nc1ccc(F)cc1)c1nnc(C[N-]S(=O)(=O)c2ccc3c(c2)CCCC3)s1 ZINC000064991557 569084592 /nfs/dbraw/zinc/08/45/92/569084592.db2.gz NTDGUUSTDVRAPK-UHFFFAOYSA-N -1 3 446.529 3.287 50 0 IGAAHM CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])N1CCN(CCc2ccncc2)CC1 ZINC000036360034 569086529 /nfs/dbraw/zinc/08/65/29/569086529.db2.gz FHZYXPDLYVBKJJ-HSZRJFAPSA-N -1 3 449.555 3.143 50 0 IGAAHM O=C([N-]c1cccc(Br)c1)c1nc(-c2cn(-c3ccc(F)cc3)nn2)no1 ZINC000065236712 569119630 /nfs/dbraw/zinc/11/96/30/569119630.db2.gz HTWHWHXEUZABNO-UHFFFAOYSA-N -1 3 429.209 3.471 50 0 IGAAHM O=C(c1ccc([O-])cc1)N1CCN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)CC1 ZINC000095461810 569369904 /nfs/dbraw/zinc/36/99/04/569369904.db2.gz TWRPCLAVOKOZNP-UHFFFAOYSA-N -1 3 446.472 3.151 50 0 IGAAHM CCOC(=O)c1ccc(Br)c(S(=O)(=O)[N-]Cc2cc(Cl)ccn2)c1 ZINC000095462087 569370216 /nfs/dbraw/zinc/37/02/16/569370216.db2.gz TZDOMMKWTDJWEQ-UHFFFAOYSA-N -1 3 433.711 3.153 50 0 IGAAHM COc1ccc(F)cc1S(=O)(=O)[N-]Cc1nc(-c2cccc(Br)c2)no1 ZINC000095470740 569371678 /nfs/dbraw/zinc/37/16/78/569371678.db2.gz JVDITGBXRQVLDO-UHFFFAOYSA-N -1 3 442.266 3.125 50 0 IGAAHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)OC)CC3)c(C)c1 ZINC000096096318 569381159 /nfs/dbraw/zinc/38/11/59/569381159.db2.gz HABXKOBCDWEYFY-UHFFFAOYSA-N -1 3 431.514 3.269 50 0 IGAAHM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc3c(c2)n(C)c(=O)n3C)S1 ZINC000096117830 569384289 /nfs/dbraw/zinc/38/42/89/569384289.db2.gz KTYLDDLERDCMNP-KDOFPFPSSA-N -1 3 441.557 3.383 50 0 IGAAHM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccc3c(c2)n(C)c(=O)n3C)S1 ZINC000096117833 569384303 /nfs/dbraw/zinc/38/43/03/569384303.db2.gz KTYLDDLERDCMNP-KBXCAEBGSA-N -1 3 441.557 3.383 50 0 IGAAHM CCn1c2ccc(-c3noc([C@@H]([N-]S(=O)(=O)c4ccccc4)C(C)C)n3)cc2[nH]c1=O ZINC000096321546 569394172 /nfs/dbraw/zinc/39/41/72/569394172.db2.gz JNCLLEJQKIVJNT-SFHVURJKSA-N -1 3 441.513 3.075 50 0 IGAAHM COc1ncccc1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000031320724 569455864 /nfs/dbraw/zinc/45/58/64/569455864.db2.gz VOQVNRPHMGHBKR-UHFFFAOYSA-N -1 3 425.510 3.438 50 0 IGAAHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)Nc3cc(OC)c(OC)cc3C)cc(C(C)C)nc21 ZINC000032060962 569459050 /nfs/dbraw/zinc/45/90/50/569459050.db2.gz UUWTVXJTLWFCNH-UHFFFAOYSA-N -1 3 440.500 3.196 50 0 IGAAHM O=C(Nc1ccccc1[O-])[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000032095334 569459857 /nfs/dbraw/zinc/45/98/57/569459857.db2.gz OHWRAKFXUARKBC-KNQAVFIVSA-N -1 3 443.503 3.111 50 0 IGAAHM CCCN1CCc2nc(SCC(=O)Nc3cccc(Br)c3)[n-]c(=O)c2C1 ZINC000067291819 569467765 /nfs/dbraw/zinc/46/77/65/569467765.db2.gz KIPZGNMWBOSVNA-UHFFFAOYSA-N -1 3 437.363 3.444 50 0 IGAAHM CCOC(=O)[N-]C(=O)C(=CNc1ccc2c(c1)-c1ccccc1C2)C(=O)NC(=O)OCC ZINC000039929741 569482003 /nfs/dbraw/zinc/48/20/03/569482003.db2.gz RJLBLLOXFQOIIS-UHFFFAOYSA-N -1 3 437.452 3.099 50 0 IGAAHM CCCN1c2cc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)ccc2OCC(C)(C)C1=O ZINC000009171896 569509467 /nfs/dbraw/zinc/50/94/67/569509467.db2.gz LGZNTPKKQGFQHL-UHFFFAOYSA-N -1 3 446.525 3.420 50 0 IGAAHM COc1ccccc1C(=O)COC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000009467010 569538313 /nfs/dbraw/zinc/53/83/13/569538313.db2.gz JJNNEMBGZXKPCL-NSHDSACASA-N -1 3 446.308 3.095 50 0 IGAAHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 ZINC000077100745 569585511 /nfs/dbraw/zinc/58/55/11/569585511.db2.gz KPUDUMRGRCNZDU-CABCVRRESA-N -1 3 438.527 3.373 50 0 IGAAHM CCOc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCC(C(=O)OC)CC2)cc1 ZINC000022626322 122356651 /nfs/dbraw/zinc/35/66/51/122356651.db2.gz YNGSBCJEVPFPSO-QGZVFWFLSA-N -1 3 430.530 3.178 50 0 IGAAHM CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000012436792 520545407 /nfs/dbraw/zinc/54/54/07/520545407.db2.gz SKGVCCIEXDDZRR-RDJZCZTQSA-N -1 3 432.263 3.291 50 0 IGAAHM CCOc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCC3(CC2)OCCO3)cc1 ZINC000022626593 521231446 /nfs/dbraw/zinc/23/14/46/521231446.db2.gz AXCRQNBLAKOPNQ-KRWDZBQOSA-N -1 3 430.530 3.132 50 0 IGAAHM CCCn1c2ccc(-c3noc([C@H](C)[N-]S(=O)(=O)c4ccc(C)cc4)n3)cc2[nH]c1=O ZINC000035482016 521637154 /nfs/dbraw/zinc/63/71/54/521637154.db2.gz OANJQOWZVABPNG-AWEZNQCLSA-N -1 3 441.513 3.138 50 0 IGAAHM COCCCN1CCc2nc(SCC(=O)Nc3cc(Cl)ccc3C)[n-]c(=O)c2C1 ZINC000020467821 523304573 /nfs/dbraw/zinc/30/45/73/523304573.db2.gz AZEXZCWVXQEWPN-UHFFFAOYSA-N -1 3 436.965 3.269 50 0 IGAAHM COc1ccc(Cl)cc1NC(=N)Nc1nc(CSc2nnc(C)s2)cc(=O)[n-]1 ZINC000020477855 524218659 /nfs/dbraw/zinc/21/86/59/524218659.db2.gz HVDGPFSNHDDLLW-UHFFFAOYSA-N -1 3 437.938 3.343 50 0 IGAAHM COc1ccccc1OCCOc1ccc(C)cc1[C@H]1SC([N-]C(C)=O)=NN1C(C)=O ZINC000020896277 524676750 /nfs/dbraw/zinc/67/67/50/524676750.db2.gz WXZRNTSZEIHRON-OAQYLSRUSA-N -1 3 443.525 3.462 50 0 IGAAHM O=C(CC[N-]S(=O)(=O)c1ccccc1C(F)(F)F)NCCc1c[nH]c2ccccc12 ZINC000017295041 526513163 /nfs/dbraw/zinc/51/31/63/526513163.db2.gz RUDVZNQFUDPIQW-UHFFFAOYSA-N -1 3 439.459 3.214 50 0 IGAAHM Cn1cccc1[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)N1CCc2ccccc2C1 ZINC000021153706 527407093 /nfs/dbraw/zinc/40/70/93/527407093.db2.gz UPHXHQYNPVHNRV-NRFANRHFSA-N -1 3 431.508 3.381 50 0 IGAAHM CCOC(=O)C1C(c2ccccc2)=NC(=O)N[C@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000000844264 555568716 /nfs/dbraw/zinc/56/87/16/555568716.db2.gz PREJBSGFXZTVGK-KRWDZBQOSA-N -1 3 447.285 3.492 50 0 IGAAHM COc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)cc1OC ZINC000001166063 555664107 /nfs/dbraw/zinc/66/41/07/555664107.db2.gz VVCZJTICMGHIIA-ZWOKBUDYSA-N -1 3 438.402 3.116 50 0 IGAAHM COc1ccccc1CC[N-]S(=O)(=O)[C@@H]1CON(C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000034739086 555890848 /nfs/dbraw/zinc/89/08/48/555890848.db2.gz QXQCYZHFQNVJBP-FGZHOGPDSA-N -1 3 432.586 3.442 50 0 IGAAHM Cc1cc2oc(=O)cc(COC(=O)c3sccc3S(=O)(=O)[N-]C3CC3)c2cc1C ZINC000010564290 556071056 /nfs/dbraw/zinc/07/10/56/556071056.db2.gz ZAQBUNPRVHWMCU-UHFFFAOYSA-N -1 3 433.507 3.269 50 0 IGAAHM COc1ccccc1-c1nnc([N-]C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1 ZINC000002723461 556128797 /nfs/dbraw/zinc/12/87/97/556128797.db2.gz HQEHLRHLADSOLQ-UHFFFAOYSA-N -1 3 442.497 3.172 50 0 IGAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000032768140 556332903 /nfs/dbraw/zinc/33/29/03/556332903.db2.gz PRONRLJZVCPJHO-MRVPVSSYSA-N -1 3 425.816 3.269 50 0 IGAAHM O=C(Nc1ccc2c(c1)OCO2)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000014110968 556369746 /nfs/dbraw/zinc/36/97/46/556369746.db2.gz OWCIOQFUHWNWNT-SFHVURJKSA-N -1 3 442.468 3.083 50 0 IGAAHM Cc1ccccc1OCc1nc(S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)n[n-]1 ZINC000013117288 556469475 /nfs/dbraw/zinc/46/94/75/556469475.db2.gz FGNKRFMOWJOAHD-AWEZNQCLSA-N -1 3 426.498 3.218 50 0 IGAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000029633777 556479367 /nfs/dbraw/zinc/47/93/67/556479367.db2.gz PRONRLJZVCPJHO-QMMMGPOBSA-N -1 3 425.816 3.269 50 0 IGAAHM O=C(CSCc1nc(=O)c2c(-c3cccs3)csc2[n-]1)NCCCn1cccn1 ZINC000030501375 556495449 /nfs/dbraw/zinc/49/54/49/556495449.db2.gz GDYPUOFCDIHMLJ-UHFFFAOYSA-N -1 3 445.595 3.349 50 0 IGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1ccccc1N(Cc1ccc(Cl)cc1)C2=O ZINC000015084625 556501857 /nfs/dbraw/zinc/50/18/57/556501857.db2.gz YQOFVCALUJQELH-HXUWFJFHSA-N -1 3 428.901 3.042 50 0 IGAAHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 ZINC000559815251 556517904 /nfs/dbraw/zinc/51/79/04/556517904.db2.gz URTZPHKDOIWZHH-FQEVSTJZSA-N 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Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000019925483 556944620 /nfs/dbraw/zinc/94/46/20/556944620.db2.gz GGIPSLRQIIYGGU-UHFFFAOYSA-N -1 3 449.488 3.031 50 0 IGAAHM O=C(Nc1ccccc1F)C1CC(=O)Nc2nc(SCc3ccc(F)cc3)[n-]c(=O)c21 ZINC000046075381 557032014 /nfs/dbraw/zinc/03/20/14/557032014.db2.gz MFNVYUGVLMCQSD-ZDUSSCGKSA-N -1 3 442.447 3.405 50 0 IGAAHM O=C(c1ccco1)N1CCN(Cc2nc(=O)c3c(-c4ccc(F)cc4)csc3[n-]2)CC1 ZINC000023934833 557125873 /nfs/dbraw/zinc/12/58/73/557125873.db2.gz OJRHMWZLUQEKQL-UHFFFAOYSA-N -1 3 438.484 3.342 50 0 IGAAHM O=C(Nc1ccccc1[O-])C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000025616694 557219677 /nfs/dbraw/zinc/21/96/77/557219677.db2.gz OVHXPDUOPWMEHF-UHFFFAOYSA-N -1 3 444.431 3.330 50 0 IGAAHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)NCCCCOc2ccc(C)cc2)CCCC1 ZINC000072301623 557226306 /nfs/dbraw/zinc/22/63/06/557226306.db2.gz RLBHTSYEECBQFY-UHFFFAOYSA-N -1 3 449.573 3.166 50 0 IGAAHM CC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000018203786 557251505 /nfs/dbraw/zinc/25/15/05/557251505.db2.gz AFWBWXQHEHEVKX-DOTOQJQBSA-N -1 3 446.688 3.426 50 0 IGAAHM CCOC(=O)c1ccc(N2C(=O)C[C@@H](Sc3nnc(-c4ccccc4[O-])o3)C2=O)cc1 ZINC000100896827 557278145 /nfs/dbraw/zinc/27/81/45/557278145.db2.gz DOIQLQNYNDXUAT-MRXNPFEDSA-N -1 3 439.449 3.043 50 0 IGAAHM O=c1c(CN2CCc3ccccc3C2)coc([O-])c1CN1CCN(Cc2ccccc2)CC1 ZINC000101412515 557284324 /nfs/dbraw/zinc/28/43/24/557284324.db2.gz XCCJCKMXZCBKIW-UHFFFAOYSA-N -1 3 445.563 3.222 50 0 IGAAHM O=c1occ(CN2CCc3ccccc3C2)c([O-])c1CN1CCN(Cc2ccccc2)CC1 ZINC000101412515 557284327 /nfs/dbraw/zinc/28/43/27/557284327.db2.gz XCCJCKMXZCBKIW-UHFFFAOYSA-N -1 3 445.563 3.222 50 0 IGAAHM COc1ccc(Cl)cc1NCc1cc(=O)n2nc(NCc3ccc(F)cc3)[n-]c2n1 ZINC000101796497 557298608 /nfs/dbraw/zinc/29/86/08/557298608.db2.gz FOGPBAZISLRCIC-UHFFFAOYSA-N -1 3 428.855 3.443 50 0 IGAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccc(F)c(F)c1)Nc1ccc(F)cc1 ZINC000051316799 557465724 /nfs/dbraw/zinc/46/57/24/557465724.db2.gz QATQNIRGRJUBGX-UHFFFAOYSA-N -1 3 431.399 3.257 50 0 IGAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccc(F)c(F)c1)Nc1ccc(F)cc1 ZINC000051316799 557465727 /nfs/dbraw/zinc/46/57/27/557465727.db2.gz QATQNIRGRJUBGX-UHFFFAOYSA-N -1 3 431.399 3.257 50 0 IGAAHM O=S(=O)([N-]C[C@@H](c1cccnc1)N1CCN(c2ccccc2F)CC1)c1cccs1 ZINC000056896443 563142787 /nfs/dbraw/zinc/14/27/87/563142787.db2.gz IHHAEIKYXJJKFQ-FQEVSTJZSA-N -1 3 446.573 3.124 50 0 IGAAHM CC(C)c1c([N-]S(=O)(=O)c2cccc3nsnc32)c(=O)n(-c2ccccc2)n1C ZINC000019079863 568640827 /nfs/dbraw/zinc/64/08/27/568640827.db2.gz CVQCFLIUHXDIPR-UHFFFAOYSA-N -1 3 429.527 3.105 50 0 IGAAHM CCc1nnc([N-]C(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc2OC)s1 ZINC000003312594 568745823 /nfs/dbraw/zinc/74/58/23/568745823.db2.gz NIVOSJIYWKNXPZ-UHFFFAOYSA-N -1 3 444.538 3.113 50 0 IGAAHM CCN(C(=O)CSc1nc(-c2ccc(OC)cc2)nc2cc(=O)[n-]n21)c1ccccc1 ZINC000015732575 568815495 /nfs/dbraw/zinc/81/54/95/568815495.db2.gz KATOLLHZOURAQE-UHFFFAOYSA-N -1 3 435.509 3.238 50 0 IGAAHM CC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000015865776 568850580 /nfs/dbraw/zinc/85/05/80/568850580.db2.gz OLSBQKVGMFNRJM-LJQANCHMSA-N -1 3 428.535 3.479 50 0 IGAAHM COc1cc([C@H](CC(=O)NCCc2nc(C)cs2)c2oc(C)cc(=O)c2[O-])ccc1O ZINC000524730692 568904162 /nfs/dbraw/zinc/90/41/62/568904162.db2.gz STVHPKILZPALHD-HNNXBMFYSA-N -1 3 444.509 3.014 50 0 IGAAHM Cc1cccc(Cc2nnc(CC[N-]S(=O)(=O)c3ccc(Br)s3)[nH]2)c1 ZINC000064969849 569076300 /nfs/dbraw/zinc/07/63/00/569076300.db2.gz FPDZUHPJDKMMHT-UHFFFAOYSA-N -1 3 441.376 3.049 50 0 IGAAHM O=c1ccc(-c2cccs2)nn1CCC[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000013800035 569157096 /nfs/dbraw/zinc/15/70/96/569157096.db2.gz SZGSFMHZOATFEQ-UHFFFAOYSA-N -1 3 443.472 3.359 50 0 IGAAHM COc1ccccc1-n1ncc2c1nc(SCC(=O)NCc1ccc(F)cc1)[n-]c2=O ZINC000016974233 569168635 /nfs/dbraw/zinc/16/86/35/569168635.db2.gz XOTZZUIMFXLYAD-UHFFFAOYSA-N -1 3 439.472 3.077 50 0 IGAAHM O=S(=O)([N-]C[C@@H](c1ccoc1)N1CCSCC1)c1ccc(Br)s1 ZINC000253408038 569265411 /nfs/dbraw/zinc/26/54/11/569265411.db2.gz XBNJXJCPBKHPDX-LBPRGKRZSA-N -1 3 437.406 3.172 50 0 IGAAHM CCCCNC(=O)N1CCN(Cc2nc(=O)c3c(-c4cccs4)csc3[n-]2)CC1 ZINC000095377589 569363161 /nfs/dbraw/zinc/36/31/61/569363161.db2.gz LLNRSFJIHHOULM-UHFFFAOYSA-N -1 3 431.587 3.340 50 0 IGAAHM COC(=O)C[C@@H](c1ccnn1C)c1oc(CSc2cccc(OC)c2)cc(=O)c1[O-] ZINC000095472556 569372207 /nfs/dbraw/zinc/37/22/07/569372207.db2.gz MDOGFXIVXULUGV-INIZCTEOSA-N -1 3 430.482 3.075 50 0 IGAAHM COc1cc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCSCC2)cc(OC)c1O ZINC000096117112 569383917 /nfs/dbraw/zinc/38/39/17/569383917.db2.gz UBZJWJDLAPZMIT-KRWDZBQOSA-N -1 3 437.543 3.154 50 0 IGAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2ccc3c(c2)OCCO3)CCO1 ZINC000096117602 569384173 /nfs/dbraw/zinc/38/41/73/569384173.db2.gz VSIWMPSZCULGCH-ACJLOTCBSA-N -1 3 431.514 3.265 50 0 IGAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2cc3ccccc3[nH]c2=O)CCO1 ZINC000096117903 569384252 /nfs/dbraw/zinc/38/42/52/569384252.db2.gz JVJXDWSPQNNGNE-SCLBCKFNSA-N -1 3 440.525 3.335 50 0 IGAAHM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccc3c(c2)n(C)c(=O)n3C)S1 ZINC000096117832 569384308 /nfs/dbraw/zinc/38/43/08/569384308.db2.gz KTYLDDLERDCMNP-RDTXWAMCSA-N -1 3 441.557 3.383 50 0 IGAAHM COC(=O)c1sccc1S(=O)(=O)[N-]CC1(c2ccc([C@H](C)O)s2)CCCC1 ZINC000225684156 569406918 /nfs/dbraw/zinc/40/69/18/569406918.db2.gz LFRDKJFMSQZHIW-LBPRGKRZSA-N -1 3 429.585 3.440 50 0 IGAAHM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)Nc1ccc2c(c1)OCCO2 ZINC000002717770 569417885 /nfs/dbraw/zinc/41/78/85/569417885.db2.gz CORUSNKZKMIQNR-UHFFFAOYSA-N -1 3 435.465 3.023 50 0 IGAAHM COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4C(=O)[O-])[C@@H]3C2=O)cc1 ZINC000230036400 569418153 /nfs/dbraw/zinc/41/81/53/569418153.db2.gz IJYVDSXEAORJEH-BHDDXSALSA-N -1 3 444.443 3.445 50 0 IGAAHM Cc1nonc1CN1CCN([C@@H](C(=O)[O-])c2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC000032073798 569459286 /nfs/dbraw/zinc/45/92/86/569459286.db2.gz GPPRASUBZYJBME-HSZRJFAPSA-N -1 3 431.496 3.470 50 0 IGAAHM Cc1nonc1CN1CCN([C@H](C(=O)[O-])c2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC000032073800 569459319 /nfs/dbraw/zinc/45/93/19/569459319.db2.gz GPPRASUBZYJBME-QHCPKHFHSA-N -1 3 431.496 3.470 50 0 IGAAHM COc1ccccc1CN1CCc2nc(SCC(=O)NCCC(C)C)[n-]c(=O)c2C1 ZINC000067291279 569467613 /nfs/dbraw/zinc/46/76/13/569467613.db2.gz PFJMVAFZVHIAQP-UHFFFAOYSA-N -1 3 430.574 3.004 50 0 IGAAHM COc1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccnc2)c1 ZINC000008861709 569480066 /nfs/dbraw/zinc/48/00/66/569480066.db2.gz ZKHCEVOPLJUFCX-UHFFFAOYSA-N -1 3 445.928 3.152 50 0 IGAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1CCC(CCc2ccc(C)cc2)CC1 ZINC000040023358 569482662 /nfs/dbraw/zinc/48/26/62/569482662.db2.gz KUDOJPRCFNRPLW-QGZVFWFLSA-N -1 3 433.574 3.138 50 0 IGAAHM Cn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000009328582 569522914 /nfs/dbraw/zinc/52/29/14/569522914.db2.gz SHXGJJZCKGNSQY-UHFFFAOYSA-N -1 3 431.905 3.086 50 0 IGAAHM CCS(=O)(=O)c1ccc(-c2cccc([N-]S(=O)(=O)c3ccc(C)cc3C)c2)nn1 ZINC000009572704 569547767 /nfs/dbraw/zinc/54/77/67/569547767.db2.gz XEICAOMFSFRYPE-UHFFFAOYSA-N -1 3 431.539 3.355 50 0 IGAAHM O=c1cc(-c2ccc(F)cc2)ncn1CC[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000070637567 569548909 /nfs/dbraw/zinc/54/89/09/569548909.db2.gz ULSGOGVXOZARMT-UHFFFAOYSA-N -1 3 441.406 3.047 50 0 IGAAHM CS(=O)(=O)c1ccc(-c2nnc([N-]C(=O)c3ccc(Br)s3)o2)cc1 ZINC000009707663 569561608 /nfs/dbraw/zinc/56/16/08/569561608.db2.gz OAWLQDFSEJHDGY-UHFFFAOYSA-N -1 3 428.289 3.216 50 0 IGAAHM O=C(NC1CCCC1)c1cnc2ccc(S(=O)(=O)Nc3ccc(F)cc3F)cc2c1[O-] ZINC000009833759 569570435 /nfs/dbraw/zinc/57/04/35/569570435.db2.gz QJGGNKMYZSKUTA-UHFFFAOYSA-N -1 3 447.463 3.280 50 0 IGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cc(C)ccc1N(Cc1ccccc1Cl)C2=O ZINC000009925795 569573624 /nfs/dbraw/zinc/57/36/24/569573624.db2.gz BGJLGUXTKLCKSU-OAQYLSRUSA-N -1 3 442.928 3.350 50 0 IGAAHM O=C(COc1ccc(Cl)cc1Cl)[N-]n1cnc2c(cnn2-c2ccccc2)c1=O ZINC000010251241 569579870 /nfs/dbraw/zinc/57/98/70/569579870.db2.gz MLTLMJHKGPMWOW-UHFFFAOYSA-N -1 3 430.251 3.038 50 0 IGAAHM CCOC(=O)N=c1[n-]c2c(s1)CN(C(=O)COc1cccc3c1OC(C)(C)C3)CC2 ZINC000077196326 569586031 /nfs/dbraw/zinc/58/60/31/569586031.db2.gz KRPGNAYUVNPFCQ-UHFFFAOYSA-N -1 3 431.514 3.389 50 0 IGAAHM O=C(CCc1c[nH]c2ccccc12)N1C[C@H]2C[C@@H]1[C@@H]([N-]S(=O)(=O)c1cccs1)C2 ZINC000675006151 569586970 /nfs/dbraw/zinc/58/69/70/569586970.db2.gz LKAXMVDUPWANCC-MDASCCDHSA-N -1 3 429.567 3.130 50 0 IGAAHM CCOC(=O)c1c(C)oc2c1c([O-])c(OC)c(Br)c2CN1CCN(C)CC1 ZINC000020827107 521402702 /nfs/dbraw/zinc/40/27/02/521402702.db2.gz IEQNKBXTFJWDGB-UHFFFAOYSA-N -1 3 441.322 3.142 50 0 IGAAHM CCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3cc(C)c(OC)c(C)c3)ccc21 ZINC000012180511 521665058 /nfs/dbraw/zinc/66/50/58/521665058.db2.gz AZUGSZQSVDLCEK-UHFFFAOYSA-N -1 3 438.571 3.215 50 0 IGAAHM CCN1CCN(c2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000012607870 521698001 /nfs/dbraw/zinc/69/80/01/521698001.db2.gz IHTCVUCEIVUGLZ-UHFFFAOYSA-N -1 3 439.965 3.300 50 0 IGAAHM CN(C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)c1ccco1 ZINC000022754227 522026328 /nfs/dbraw/zinc/02/63/28/522026328.db2.gz AAPWCYMRLFGCSM-IBGZPJMESA-N -1 3 431.489 3.252 50 0 IGAAHM CN(C)[C@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1ccco1 ZINC000012525966 522082995 /nfs/dbraw/zinc/08/29/95/522082995.db2.gz VCCHOLYAFVWLHQ-LJQANCHMSA-N -1 3 431.489 3.252 50 0 IGAAHM COC(=O)c1sccc1S(=O)(=O)[N-]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000012934227 522452079 /nfs/dbraw/zinc/45/20/79/522452079.db2.gz UEAOWJZWUBFISN-UHFFFAOYSA-N -1 3 437.539 3.096 50 0 IGAAHM COc1ccc(-c2nn3c(nnc3SCC(=O)Nc3cccc(C)c3C)[n-]c2=O)cc1 ZINC000022720567 523250334 /nfs/dbraw/zinc/25/03/34/523250334.db2.gz IIPFOPSVPSRQCY-UHFFFAOYSA-N -1 3 436.497 3.248 50 0 IGAAHM CN1CCN([C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c2ccsc2)CC1 ZINC000020953250 523922134 /nfs/dbraw/zinc/92/21/34/523922134.db2.gz NHTJAPPMVRFWJH-MRXNPFEDSA-N -1 3 434.414 3.322 50 0 IGAAHM COc1ccc(OCCOc2ccccc2)c([C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)c1 ZINC000020896385 524963378 /nfs/dbraw/zinc/96/33/78/524963378.db2.gz SEEYXRMUOYEUDX-FQEVSTJZSA-N -1 3 429.498 3.154 50 0 IGAAHM CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000012698761 525553950 /nfs/dbraw/zinc/55/39/50/525553950.db2.gz HRNHLTVGIBEBAH-MRXNPFEDSA-N -1 3 430.921 3.010 50 0 IGAAHM CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000012698761 525553962 /nfs/dbraw/zinc/55/39/62/525553962.db2.gz HRNHLTVGIBEBAH-MRXNPFEDSA-N -1 3 430.921 3.010 50 0 IGAAHM CSCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccn1 ZINC000021893659 525555962 /nfs/dbraw/zinc/55/59/62/525555962.db2.gz YJDOGIMYTUZDTO-CQSZACIVSA-N -1 3 434.370 3.427 50 0 IGAAHM O=C(CN1CCC(C(=O)Nc2ccccc2[O-])CC1)Nc1cccc(Br)c1 ZINC000012999647 526726531 /nfs/dbraw/zinc/72/65/31/526726531.db2.gz RGUGQUOBSGQXAE-UHFFFAOYSA-N -1 3 432.318 3.444 50 0 IGAAHM O=C(c1ccccc1[O-])N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000012866936 526809136 /nfs/dbraw/zinc/80/91/36/526809136.db2.gz KGBGXVSDUGSJTQ-UHFFFAOYSA-N -1 3 448.850 3.211 50 0 IGAAHM O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000012750505 526923406 /nfs/dbraw/zinc/92/34/06/526923406.db2.gz KHQFGTKVEWFJRR-JOCHJYFZSA-N -1 3 435.549 3.492 50 0 IGAAHM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)Nc1cccc2nsnc21 ZINC000019078562 527056693 /nfs/dbraw/zinc/05/66/93/527056693.db2.gz RZJAPADTJWKMJN-UHFFFAOYSA-N -1 3 435.494 3.257 50 0 IGAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1)NCc1cccc(Cl)c1 ZINC000020663924 527057207 /nfs/dbraw/zinc/05/72/07/527057207.db2.gz YWLGDNDGIAZNDD-UHFFFAOYSA-N -1 3 425.901 3.171 50 0 IGAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1)NCc1cccc(Cl)c1 ZINC000020663924 527057210 /nfs/dbraw/zinc/05/72/10/527057210.db2.gz YWLGDNDGIAZNDD-UHFFFAOYSA-N -1 3 425.901 3.171 50 0 IGAAHM O=C(Nc1ccccc1[O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)s1 ZINC000012735325 527428589 /nfs/dbraw/zinc/42/85/89/527428589.db2.gz XMEPJIGLXMCOFH-NSHDSACASA-N -1 3 431.333 3.008 50 0 IGAAHM O=C(Nc1nnc(C2CC2)s1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000021294003 527535292 /nfs/dbraw/zinc/53/52/92/527535292.db2.gz DCHLWAFGFIYKML-MRXNPFEDSA-N -1 3 446.529 3.083 50 0 IGAAHM COC(=O)[C@@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000001043341 555610280 /nfs/dbraw/zinc/61/02/80/555610280.db2.gz OLXHGNFFDVITJC-MRXNPFEDSA-N -1 3 426.416 3.249 50 0 IGAAHM O=C(O[C@H](C(=O)N1CCCCC1)c1ccccc1)c1sccc1S(=O)(=O)[N-]C1CC1 ZINC000010566959 556069666 /nfs/dbraw/zinc/06/96/66/556069666.db2.gz BLXLNRLFDACRAT-SFHVURJKSA-N -1 3 448.566 3.099 50 0 IGAAHM CCSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000008443447 556178382 /nfs/dbraw/zinc/17/83/82/556178382.db2.gz HCJQPLWOMYAYDA-AWEZNQCLSA-N -1 3 445.335 3.088 50 0 IGAAHM C[C@@H](OC(=O)c1cccnc1SC(F)F)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032736240 556306013 /nfs/dbraw/zinc/30/60/13/556306013.db2.gz MUNWPQGFJJHICG-SNVBAGLBSA-N -1 3 430.454 3.196 50 0 IGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000010076264 556325086 /nfs/dbraw/zinc/32/50/86/556325086.db2.gz QMZAOGDDUJCLPB-UHFFFAOYSA-N -1 3 444.534 3.208 50 0 IGAAHM O=S(=O)([N-]Cc1ccnc(N2CCOCC2)c1)c1ccc(Cl)cc1C(F)(F)F ZINC000028054079 556442991 /nfs/dbraw/zinc/44/29/91/556442991.db2.gz NQQWBVOQHHYEBE-UHFFFAOYSA-N -1 3 435.855 3.069 50 0 IGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC(C(N)=O)CC3)cc2)c2ccccc12 ZINC000072278435 556461154 /nfs/dbraw/zinc/46/11/54/556461154.db2.gz STAHGPCGCYLNTO-UHFFFAOYSA-N -1 3 439.537 3.351 50 0 IGAAHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000032895710 556515433 /nfs/dbraw/zinc/51/54/33/556515433.db2.gz OINQAWOOOGGELA-KRWDZBQOSA-N -1 3 425.528 3.372 50 0 IGAAHM C[C@H](OC(=O)c1cccc(OC[C@H]2CCCO2)c1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032903535 556539908 /nfs/dbraw/zinc/53/99/08/556539908.db2.gz LEEPNTMXPYRECB-MGPUTAFESA-N -1 3 447.509 3.044 50 0 IGAAHM CCc1ccccc1NC(=O)CSc1nnc2[n-]c(=O)c(-c3ccc(OC)cc3)nn21 ZINC000015882041 556560855 /nfs/dbraw/zinc/56/08/55/556560855.db2.gz VMZIIWAFXIALFB-UHFFFAOYSA-N -1 3 436.497 3.194 50 0 IGAAHM CC(C)OCCCNC(=O)NC(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000016046208 556580161 /nfs/dbraw/zinc/58/01/61/556580161.db2.gz ZEUUIJIBDOTLIG-UHFFFAOYSA-N -1 3 427.527 3.154 50 0 IGAAHM O=C([N-]n1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O)c1ccccc1Cl ZINC000040391520 556638018 /nfs/dbraw/zinc/63/80/18/556638018.db2.gz YURGXUIPFRWKMS-UHFFFAOYSA-N -1 3 434.818 3.283 50 0 IGAAHM Cn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000013956081 556661715 /nfs/dbraw/zinc/66/17/15/556661715.db2.gz SLNOJIWHCIZDOO-UHFFFAOYSA-N -1 3 449.895 3.225 50 0 IGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cccc(C)c1N(Cc1ccccc1Cl)C2=O ZINC000033014257 556664396 /nfs/dbraw/zinc/66/43/96/556664396.db2.gz WIQKTESIWKEPNX-NRFANRHFSA-N -1 3 442.928 3.350 50 0 IGAAHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]CCc1c[nH]c2ccc(OC)cc12 ZINC000044900415 556677077 /nfs/dbraw/zinc/67/70/77/556677077.db2.gz MNJXSWFLWGWGHZ-UHFFFAOYSA-N -1 3 428.919 3.199 50 0 IGAAHM Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000011998386 556679658 /nfs/dbraw/zinc/67/96/58/556679658.db2.gz SAHPWTAWBCKAPI-UHFFFAOYSA-N -1 3 442.946 3.133 50 0 IGAAHM CC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc21 ZINC000033129728 556869037 /nfs/dbraw/zinc/86/90/37/556869037.db2.gz SFQVRBJRFCUKBM-UHFFFAOYSA-N -1 3 431.533 3.347 50 0 IGAAHM O=C(Nc1cc(F)ccc1F)C1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000046075792 557032523 /nfs/dbraw/zinc/03/25/23/557032523.db2.gz PFGQDIXFRUMDCC-CYBMUJFWSA-N -1 3 442.447 3.405 50 0 IGAAHM Cc1nc(CN2C(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4C)cc32)no1 ZINC000046145494 557043716 /nfs/dbraw/zinc/04/37/16/557043716.db2.gz XLSXRXHIWHSQHP-UHFFFAOYSA-N -1 3 448.888 3.066 50 0 IGAAHM CCCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(OC)c(C)c3)ccc21 ZINC000017286970 557044927 /nfs/dbraw/zinc/04/49/27/557044927.db2.gz HREMUDHLAZWEFH-UHFFFAOYSA-N -1 3 438.571 3.297 50 0 IGAAHM CCOc1ccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCc2ccc(C)cc2)cc1 ZINC000017315272 557053208 /nfs/dbraw/zinc/05/32/08/557053208.db2.gz XVRLXYASXUJJLQ-UHFFFAOYSA-N -1 3 449.536 3.234 50 0 IGAAHM Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)s2)c([O-])c1 ZINC000025170196 557198404 /nfs/dbraw/zinc/19/84/04/557198404.db2.gz JCUFSMYKEZPDCG-GFCCVEGCSA-N -1 3 445.360 3.316 50 0 IGAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000025899279 557229789 /nfs/dbraw/zinc/22/97/89/557229789.db2.gz MGTCPRHAFAZBDN-QFIPXVFZSA-N -1 3 431.517 3.316 50 0 IGAAHM O=c1c(CN2CCN(c3ccccc3)CC2)coc([O-])c1CN1CCc2ccccc2C1 ZINC000101372697 557278868 /nfs/dbraw/zinc/27/88/68/557278868.db2.gz TXZLAZSJWJRVOW-UHFFFAOYSA-N -1 3 431.536 3.226 50 0 IGAAHM O=c1occ(CN2CCN(c3ccccc3)CC2)c([O-])c1CN1CCc2ccccc2C1 ZINC000101372697 557278870 /nfs/dbraw/zinc/27/88/70/557278870.db2.gz TXZLAZSJWJRVOW-UHFFFAOYSA-N -1 3 431.536 3.226 50 0 IGAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000102723318 557369198 /nfs/dbraw/zinc/36/91/98/557369198.db2.gz ZLIJLRZZUHFMRB-DNVJHFABSA-N -1 3 446.459 3.461 50 0 IGAAHM Cc1nn(-c2ccccc2F)c(C)c1CC(=O)N(C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000040145206 557702700 /nfs/dbraw/zinc/70/27/00/557702700.db2.gz KCIIQOQQZAHBFN-UHFFFAOYSA-N -1 3 425.489 3.127 50 0 IGAAHM COc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)cc1OC ZINC000244866382 557849405 /nfs/dbraw/zinc/84/94/05/557849405.db2.gz VVCZJTICMGHIIA-UWVAXJGDSA-N -1 3 438.402 3.116 50 0 IGAAHM CCOc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)ccc1OC ZINC000011859256 562979652 /nfs/dbraw/zinc/97/96/52/562979652.db2.gz WLLPRYOIDRRSSP-ABSDTBQOSA-N -1 3 438.402 3.198 50 0 IGAAHM C[N-]S(=O)(=O)c1cc(C(=O)OCc2cc(Cl)cc3c2OCOC3)ccc1Cl ZINC000018971158 568630041 /nfs/dbraw/zinc/63/00/41/568630041.db2.gz OXRUCPOPAGZWMS-UHFFFAOYSA-N -1 3 432.281 3.125 50 0 IGAAHM O=C([O-])CC[C@H]1CN(Cc2ccncc2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000299764919 568756269 /nfs/dbraw/zinc/75/62/69/568756269.db2.gz WNKOTRUPBWKXRD-RBBKRZOGSA-N -1 3 426.536 3.098 50 0 IGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCN3C[C@@H](C)C[C@H](C)C3)cc2)cc1 ZINC000036390952 569097667 /nfs/dbraw/zinc/09/76/67/569097667.db2.gz GDKGEMUZHSLXAT-ROUUACIJSA-N -1 3 445.585 3.204 50 0 IGAAHM CC[C@H](CC[N-]S(=O)(=O)c1cn(C(F)F)nc1C)n1nc(C(F)(F)F)cc1C ZINC000036615171 569122457 /nfs/dbraw/zinc/12/24/57/569122457.db2.gz RBQOHVMDELONRV-LLVKDONJSA-N -1 3 429.415 3.430 50 0 IGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)cc1OC ZINC000014399551 569159033 /nfs/dbraw/zinc/15/90/33/569159033.db2.gz NKSAVFAOAVOTJQ-UHFFFAOYSA-N -1 3 448.541 3.385 50 0 IGAAHM COc1ccc(NC(=O)c2c[n-]nc2-c2ccc(Cl)cc2)cc1S(=O)(=O)N(C)C ZINC000014493193 569159141 /nfs/dbraw/zinc/15/91/41/569159141.db2.gz WCVUTCWUJNLPQJ-UHFFFAOYSA-N -1 3 434.905 3.241 50 0 IGAAHM CCOC(=O)[C@@]([N-]S(=O)(=O)c1ccc(C)cc1)(OCc1ccc(F)cc1)C(F)(F)F ZINC000002275521 569217924 /nfs/dbraw/zinc/21/79/24/569217924.db2.gz CECSWBBUECDASC-GOSISDBHSA-N -1 3 449.422 3.451 50 0 IGAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000020280983 569358737 /nfs/dbraw/zinc/35/87/37/569358737.db2.gz XKHWSZGHAZIJLP-HNNXBMFYSA-N -1 3 442.925 3.425 50 0 IGAAHM CS(=O)(=O)[N-]c1ccc2nc(SCC(=O)NCc3cc(F)ccc3F)sc2c1 ZINC000096399469 569400050 /nfs/dbraw/zinc/40/00/50/569400050.db2.gz QTOWORZBPOFSDV-UHFFFAOYSA-N -1 3 443.522 3.355 50 0 IGAAHM Cc1nn(Cc2n[n-]c(=S)n2-c2cnn(Cc3ccc(C)cc3)c2)cc1Br ZINC000002809254 569422806 /nfs/dbraw/zinc/42/28/06/569422806.db2.gz PDHUDIBTWSCCBZ-UHFFFAOYSA-N -1 3 444.362 3.425 50 0 IGAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)N1CCN(C(=O)c2ccco2)CC1 ZINC000003300455 569445007 /nfs/dbraw/zinc/44/50/07/569445007.db2.gz CLLZYYZONVSRGK-UHFFFAOYSA-N -1 3 447.517 3.091 50 0 IGAAHM Cc1ccc(S(=O)(=O)[C@H](C[N-]S(=O)(=O)CCc2ccccc2)c2cccnc2)cc1 ZINC000008717997 569471254 /nfs/dbraw/zinc/47/12/54/569471254.db2.gz YHYUWPDYPGTAPV-JOCHJYFZSA-N -1 3 444.578 3.067 50 0 IGAAHM COc1ccc(-c2cc(NC(=O)Cn3[n-]c(=O)c4ccccc4c3=O)ccc2OC)cc1 ZINC000008749477 569473312 /nfs/dbraw/zinc/47/33/12/569473312.db2.gz FJJZNQFLMSVYIJ-UHFFFAOYSA-N -1 3 431.448 3.013 50 0 IGAAHM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)NCCc1c[nH]c2ccccc12 ZINC000009377807 569527532 /nfs/dbraw/zinc/52/75/32/569527532.db2.gz PTSPTMMOHMXPKL-UHFFFAOYSA-N -1 3 444.520 3.041 50 0 IGAAHM CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)[N-]c2nnc(Cc3ccccc3)s2)c1 ZINC000009631916 569553875 /nfs/dbraw/zinc/55/38/75/569553875.db2.gz RWXMPXREJMRKTP-UHFFFAOYSA-N -1 3 436.946 3.285 50 0 IGAAHM CC(=O)N1CCC(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)CC1 ZINC000009642723 569555868 /nfs/dbraw/zinc/55/58/68/569555868.db2.gz OQXLVNJPIULVSH-UHFFFAOYSA-N -1 3 433.505 3.132 50 0 IGAAHM O=C1CCCN1Cc1nnc(SCc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)o1 ZINC000009644023 569555986 /nfs/dbraw/zinc/55/59/86/569555986.db2.gz KCKCCWULEHYGQQ-UHFFFAOYSA-N -1 3 439.522 3.449 50 0 IGAAHM O=C1CS[C@@H](c2ccccc2)N1N=c1nc(N2CCCCC2)nc(N2CCCCC2)[n-]1 ZINC000003015156 132260422 /nfs/dbraw/zinc/26/04/22/132260422.db2.gz BMHIHAWGPRMTDW-IBGZPJMESA-N -1 3 439.589 3.453 50 0 IGAAHM CSCc1nc(=O)c2c(C)c(C(=O)Nc3ccc(N4CCOCC4)cc3)sc2[n-]1 ZINC000009913239 132331795 /nfs/dbraw/zinc/33/17/95/132331795.db2.gz MODYIMPBMDBECB-UHFFFAOYSA-N -1 3 430.555 3.245 50 0 IGAAHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3S(=O)(=O)CC)cc1 ZINC000011612431 132338144 /nfs/dbraw/zinc/33/81/44/132338144.db2.gz ONPICMGRMPYQHK-UHFFFAOYSA-N -1 3 438.571 3.379 50 0 IGAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000021643544 519799472 /nfs/dbraw/zinc/79/94/72/519799472.db2.gz FBGNFXFVPSEFSN-GOSISDBHSA-N -1 3 442.006 3.053 50 0 IGAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3S(=O)(=O)CC)cc1F ZINC000021756228 521210934 /nfs/dbraw/zinc/21/09/34/521210934.db2.gz DQBIOYWYZRRZTO-UHFFFAOYSA-N -1 3 442.534 3.128 50 0 IGAAHM CCOC(=O)c1oc2ccccc2c1COC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000012787941 521608105 /nfs/dbraw/zinc/60/81/05/521608105.db2.gz JOWSNTFTIKLWMX-ZDUSSCGKSA-N -1 3 449.456 3.159 50 0 IGAAHM COc1cc(Nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)nc(C)n1 ZINC000012226226 522768865 /nfs/dbraw/zinc/76/88/65/522768865.db2.gz MQYLIAPKLCMICE-UHFFFAOYSA-N -1 3 428.470 3.109 50 0 IGAAHM COCC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1N1CCCCC1 ZINC000012548511 522780946 /nfs/dbraw/zinc/78/09/46/522780946.db2.gz YZCZGSKXBJGMRE-UHFFFAOYSA-N -1 3 433.530 3.071 50 0 IGAAHM CN1CCN([C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c2ccsc2)CC1 ZINC000020953247 523918675 /nfs/dbraw/zinc/91/86/75/523918675.db2.gz NHTJAPPMVRFWJH-INIZCTEOSA-N -1 3 434.414 3.322 50 0 IGAAHM Cc1ccc(Cc2nnc([N-]C(=O)c3ccc(S(=O)(=O)N(C)C4CC4)cc3)o2)cc1C ZINC000035588392 524696455 /nfs/dbraw/zinc/69/64/55/524696455.db2.gz JYFSASHLXVPIGT-UHFFFAOYSA-N -1 3 440.525 3.312 50 0 IGAAHM C[C@@H]1CN(C(C)(C)CNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C[C@@H](C)O1 ZINC000021526786 524890339 /nfs/dbraw/zinc/89/03/39/524890339.db2.gz CWZMDSYYOWOGPT-QZTJIDSGSA-N -1 3 445.585 3.105 50 0 IGAAHM COc1ccc(OCCOc2ccc(C)cc2)c([C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)c1 ZINC000020896391 524964078 /nfs/dbraw/zinc/96/40/78/524964078.db2.gz OPNZJFIGGHDWPM-NRFANRHFSA-N -1 3 443.525 3.462 50 0 IGAAHM COc1ccc([C@@H](NC(=O)CC[N-]S(=O)(=O)c2cccs2)c2ccccc2)cc1 ZINC000012676276 525192702 /nfs/dbraw/zinc/19/27/02/525192702.db2.gz HMMBJPZPOPOZPY-NRFANRHFSA-N -1 3 430.551 3.331 50 0 IGAAHM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccco3)N(C)C)c2)cc1 ZINC000012604881 525305781 /nfs/dbraw/zinc/30/57/81/525305781.db2.gz DSLYHXQEQKMUDN-FQEVSTJZSA-N -1 3 427.526 3.422 50 0 IGAAHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCS3(=O)=O)cc2)ccc1Br ZINC000012630355 525420904 /nfs/dbraw/zinc/42/09/04/525420904.db2.gz DNFGAZUFZPFAFW-UHFFFAOYSA-N -1 3 445.360 3.098 50 0 IGAAHM C[C@@]1(CSc2ccccc2C(=O)NCCCn2ccc3ccccc32)NC(=O)[N-]C1=O ZINC000012609232 525856258 /nfs/dbraw/zinc/85/62/58/525856258.db2.gz RTDZMQUYGBNLIC-QHCPKHFHSA-N -1 3 436.537 3.152 50 0 IGAAHM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000020604115 527248324 /nfs/dbraw/zinc/24/83/24/527248324.db2.gz WBRHVOFDEABSDC-UHFFFAOYSA-N -1 3 434.461 3.436 50 0 IGAAHM O=C(Nc1ccccc1[O-])[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000012865337 527428775 /nfs/dbraw/zinc/42/87/75/527428775.db2.gz SLDOKLKVRSDUOO-NSHDSACASA-N -1 3 445.360 3.256 50 0 IGAAHM O=c1[n-]c(=O)n(-c2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(c1ccco1)N2 ZINC000012377125 527434801 /nfs/dbraw/zinc/43/48/01/527434801.db2.gz PLIFXJZWLKVKLJ-UHFFFAOYSA-N -1 3 444.291 3.311 50 0 IGAAHM Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1cc(C(F)(F)F)nn1C)CC[C@H](C)C3 ZINC000002779064 556141370 /nfs/dbraw/zinc/14/13/70/556141370.db2.gz CFWDGYSWWCQHLI-QMMMGPOBSA-N -1 3 425.436 3.027 50 0 IGAAHM Cc1csc(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2C)n1 ZINC000009235864 556263564 /nfs/dbraw/zinc/26/35/64/556263564.db2.gz YJNGOZKMPYPUMN-UHFFFAOYSA-N -1 3 440.348 3.446 50 0 IGAAHM C[C@H](NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1)c1ccc(F)cc1F ZINC000012971790 556418825 /nfs/dbraw/zinc/41/88/25/556418825.db2.gz XFVQVMDXIRXQAX-LBPRGKRZSA-N -1 3 429.514 3.240 50 0 IGAAHM C[C@@H](OC(=O)c1cccc(OC[C@@H]2CCCO2)c1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032903532 556539964 /nfs/dbraw/zinc/53/99/64/556539964.db2.gz LEEPNTMXPYRECB-QRWLVFNGSA-N -1 3 447.509 3.044 50 0 IGAAHM CC(C)(C)c1nn2c(nnc2SCC(=O)Nc2ccc(C(F)(F)F)cc2)[n-]c1=O ZINC000015882090 556561360 /nfs/dbraw/zinc/56/13/60/556561360.db2.gz OLDNUPKOQGQFPE-UHFFFAOYSA-N -1 3 426.424 3.272 50 0 IGAAHM O=C(CN1CCN(C(=O)c2cccc([O-])c2)CC1)N(Cc1ccccc1)c1ccccc1 ZINC000072308320 556565863 /nfs/dbraw/zinc/56/58/63/556565863.db2.gz AQRQCRHQLJYLHU-UHFFFAOYSA-N -1 3 429.520 3.383 50 0 IGAAHM Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)[N-]C2=NCCS2)c(C)c1 ZINC000032996123 556611352 /nfs/dbraw/zinc/61/13/52/556611352.db2.gz IMDNFWUZNQNTTK-UHFFFAOYSA-N -1 3 445.610 3.064 50 0 IGAAHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)NCc1cccnc1 ZINC000016552416 556614989 /nfs/dbraw/zinc/61/49/89/556614989.db2.gz VKUFSYXNRDSMHI-UHFFFAOYSA-N -1 3 429.473 3.025 50 0 IGAAHM CSCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1nccs1 ZINC000016641525 556619814 /nfs/dbraw/zinc/61/98/14/556619814.db2.gz JZDHRDZOQZYZIY-NSHDSACASA-N -1 3 440.399 3.489 50 0 IGAAHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCN(c4ccccc4)CC3)nc(=O)c2c1C ZINC000016699335 556629215 /nfs/dbraw/zinc/62/92/15/556629215.db2.gz FBFYUXRPLAELCK-HNNXBMFYSA-N -1 3 426.542 3.353 50 0 IGAAHM CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000100737717 556659223 /nfs/dbraw/zinc/65/92/23/556659223.db2.gz SKGVCCIEXDDZRR-NVXWUHKLSA-N -1 3 432.263 3.291 50 0 IGAAHM CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000100741649 556659980 /nfs/dbraw/zinc/65/99/80/556659980.db2.gz NOZYYINCPMRNJH-NVXWUHKLSA-N -1 3 432.263 3.291 50 0 IGAAHM Cc1ccc(-n2nc(C(F)(F)F)cc2OCC(=O)N2NC=C[C@@]2([O-])C(F)(F)F)cc1 ZINC000017099964 556665179 /nfs/dbraw/zinc/66/51/79/556665179.db2.gz IKRDXHAILDEJPW-OAHLLOKOSA-N -1 3 436.312 3.047 50 0 IGAAHM O=C(c1ccc2[nH]cnc2c1)N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000058281860 556777298 /nfs/dbraw/zinc/77/72/98/556777298.db2.gz HEHZSTCEFFHENN-UHFFFAOYSA-N -1 3 440.503 3.458 50 0 IGAAHM Cc1nnc([C@H]([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c2ccccc2)n1C ZINC000058299184 556778637 /nfs/dbraw/zinc/77/86/37/556778637.db2.gz RYKWTTJZBAJQMY-MRXNPFEDSA-N -1 3 442.875 3.446 50 0 IGAAHM COC(=O)c1sccc1S(=O)(=O)[N-]CC1(Sc2ccccc2)CCOCC1 ZINC000206609071 556801748 /nfs/dbraw/zinc/80/17/48/556801748.db2.gz KMYFGZLLNRNZPB-UHFFFAOYSA-N -1 3 427.569 3.155 50 0 IGAAHM COc1cccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)c1 ZINC000046074642 557030750 /nfs/dbraw/zinc/03/07/50/557030750.db2.gz OYKHXMPHPJFIDC-MRXNPFEDSA-N -1 3 436.493 3.135 50 0 IGAAHM COc1ccc(CCNC(=O)CCc2c(C)c3ccc([O-])c(C)c3oc2=O)cc1OC ZINC000004743475 557070528 /nfs/dbraw/zinc/07/05/28/557070528.db2.gz GWJGNYGVDPGKDE-UHFFFAOYSA-N -1 3 425.481 3.424 50 0 IGAAHM Cc1nc(Nc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc(N2CCOCC2)n1 ZINC000033318494 557100004 /nfs/dbraw/zinc/10/00/04/557100004.db2.gz AMBQIOPCQUIPAU-UHFFFAOYSA-N -1 3 425.514 3.166 50 0 IGAAHM CCOC([O-])=NC(=O)CSc1nnc([C@H]2COc3ccccc3O2)n1-c1ccccc1 ZINC000011348660 557103509 /nfs/dbraw/zinc/10/35/09/557103509.db2.gz XNWWIAICXOEDAU-QGZVFWFLSA-N -1 3 440.481 3.145 50 0 IGAAHM CCOC(=O)[N-]C(=O)CSc1nnc([C@H]2COc3ccccc3O2)n1-c1ccccc1 ZINC000011348660 557103511 /nfs/dbraw/zinc/10/35/11/557103511.db2.gz XNWWIAICXOEDAU-QGZVFWFLSA-N -1 3 440.481 3.145 50 0 IGAAHM Cc1nc2ccccc2c(C)c1CC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011450064 557148953 /nfs/dbraw/zinc/14/89/53/557148953.db2.gz VFJLLHVYBUQWMP-UHFFFAOYSA-N -1 3 443.594 3.425 50 0 IGAAHM CCOc1ccc(N2C[C@H](C(=O)OCc3cc(=O)oc4c(C)c([O-])ccc34)CC2=O)cc1 ZINC000024832390 557170971 /nfs/dbraw/zinc/17/09/71/557170971.db2.gz GCVJNOILTPCXPG-OAHLLOKOSA-N -1 3 437.448 3.302 50 0 IGAAHM CC(=O)Nc1ccc(-c2csc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)n2)c(F)c1 ZINC000010995213 557220652 /nfs/dbraw/zinc/22/06/52/557220652.db2.gz JFJHHWGVPYGRMD-UHFFFAOYSA-N -1 3 429.477 3.179 50 0 IGAAHM O=S(=O)([N-]Cc1ccc2c(c1)OCO2)c1cc(Br)ccc1Br ZINC000011613809 557230910 /nfs/dbraw/zinc/23/09/10/557230910.db2.gz XICRUFDSMPQMHT-UHFFFAOYSA-N -1 3 449.120 3.419 50 0 IGAAHM Cn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000018201346 557251160 /nfs/dbraw/zinc/25/11/60/557251160.db2.gz IDEZJQBEGKTXPL-UHFFFAOYSA-N -1 3 449.895 3.225 50 0 IGAAHM COc1ccc(NCc2cc(=O)n3nc(NCc4ccc(Cl)cc4)[n-]c3n2)c(OC)c1 ZINC000101795928 557298591 /nfs/dbraw/zinc/29/85/91/557298591.db2.gz XTNXXPKEGUXSQX-UHFFFAOYSA-N -1 3 440.891 3.312 50 0 IGAAHM CCOc1cc(/C=C2\SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc(Br)c1[O-] ZINC000033627444 557340450 /nfs/dbraw/zinc/34/04/50/557340450.db2.gz AZMPOZLIBVZMOR-VQLBTBKJSA-N -1 3 430.276 3.151 50 0 IGAAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)c(OC)c1 ZINC000102706345 557366440 /nfs/dbraw/zinc/36/64/40/557366440.db2.gz WVDKNKYAZHNKRD-YTFSRNRJSA-N -1 3 446.459 3.461 50 0 IGAAHM CCOc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)Nc2cccc(F)c2)cc1 ZINC000051316487 557464423 /nfs/dbraw/zinc/46/44/23/557464423.db2.gz BEZSRBZIHWMISD-UHFFFAOYSA-N -1 3 439.472 3.377 50 0 IGAAHM CCOc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)Nc2cccc(F)c2)cc1 ZINC000051316487 557464425 /nfs/dbraw/zinc/46/44/25/557464425.db2.gz BEZSRBZIHWMISD-UHFFFAOYSA-N -1 3 439.472 3.377 50 0 IGAAHM COC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1 ZINC000229978935 557834471 /nfs/dbraw/zinc/83/44/71/557834471.db2.gz HGEYGPHKXWJQND-BHDDXSALSA-N -1 3 444.443 3.230 50 0 IGAAHM COc1cc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)cc(OC)c1 ZINC000008600896 562955204 /nfs/dbraw/zinc/95/52/04/562955204.db2.gz QRLUTRSBPYHABD-LJQANCHMSA-N -1 3 446.550 3.294 50 0 IGAAHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)CN3CCOCC3)cc2)c(C)c1C ZINC000012541565 568743862 /nfs/dbraw/zinc/74/38/62/568743862.db2.gz UUIYAPZZSDVJQF-UHFFFAOYSA-N -1 3 445.585 3.300 50 0 IGAAHM O=C([O-])CC[C@H]1CN(Cc2cccnc2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000299785053 568757237 /nfs/dbraw/zinc/75/72/37/568757237.db2.gz LSZYMVCOKCSNDU-RBBKRZOGSA-N -1 3 426.536 3.098 50 0 IGAAHM CCCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1S[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000084750167 568800789 /nfs/dbraw/zinc/80/07/89/568800789.db2.gz YANFPDXGAIUNOB-AWEZNQCLSA-N -1 3 449.602 3.332 50 0 IGAAHM Cc1cc(-n2c(C)cc(C(=O)N3CCC([N-]S(=O)(=O)c4cccs4)CC3)c2C)no1 ZINC000026114480 568849714 /nfs/dbraw/zinc/84/97/14/568849714.db2.gz VKMROCOWLJCTII-UHFFFAOYSA-N -1 3 448.570 3.035 50 0 IGAAHM CCN(CC)C(=O)c1cnc2ccc(S(=O)(=O)N(C)c3ccc(Cl)cc3)cc2c1[O-] ZINC000006181248 568867956 /nfs/dbraw/zinc/86/79/56/568867956.db2.gz XKQLXSOEJLTJMZ-UHFFFAOYSA-N -1 3 447.944 3.489 50 0 IGAAHM CC(=O)N[C@@H](CC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1)c1ccc(Cl)cc1 ZINC000016112379 568870788 /nfs/dbraw/zinc/87/07/88/568870788.db2.gz JMJZWXDBZRFWGV-FQEVSTJZSA-N -1 3 443.931 3.490 50 0 IGAAHM COC(=O)c1sccc1S(=O)(=O)[N-]CCn1nc(C)c(-c2ccsc2)c1C ZINC000575614728 568881114 /nfs/dbraw/zinc/88/11/14/568881114.db2.gz CYYLUNLBDLSKJT-UHFFFAOYSA-N -1 3 425.557 3.055 50 0 IGAAHM Cc1cc(C(=O)[N-]c2nc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)co2)no1 ZINC000090583067 568888202 /nfs/dbraw/zinc/88/82/02/568888202.db2.gz QCOXZUCCZMBFLG-UHFFFAOYSA-N -1 3 429.864 3.148 50 0 IGAAHM CCn1nnc2cc(-c3noc([C@@H]([N-]S(=O)(=O)c4ccc(C)cc4)C(C)C)n3)ccc21 ZINC000064979900 569078275 /nfs/dbraw/zinc/07/82/75/569078275.db2.gz SZWICAMKQSCFSW-IBGZPJMESA-N -1 3 440.529 3.485 50 0 IGAAHM O=C(Nc1ccccc1)c1nnc(C[N-]S(=O)(=O)c2ccc3c(c2)CCCC3)s1 ZINC000064991688 569084742 /nfs/dbraw/zinc/08/47/42/569084742.db2.gz FJWAJRXTJNYGRG-UHFFFAOYSA-N -1 3 428.539 3.148 50 0 IGAAHM CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])N1CCN(Cc2ccncc2)CC1 ZINC000036359550 569086388 /nfs/dbraw/zinc/08/63/88/569086388.db2.gz UGDJPUIUDLRJAN-JOCHJYFZSA-N -1 3 435.528 3.101 50 0 IGAAHM CC1CCC([N-]S(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCCC4)o3)cs2)CC1 ZINC000065098987 569105078 /nfs/dbraw/zinc/10/50/78/569105078.db2.gz YVVUEZXYYOOJAD-UHFFFAOYSA-N -1 3 438.575 3.281 50 0 IGAAHM CC[C@@H](CC[N-]S(=O)(=O)c1cn(C(F)F)nc1C)n1nc(C(F)(F)F)cc1C ZINC000036615170 569122455 /nfs/dbraw/zinc/12/24/55/569122455.db2.gz RBQOHVMDELONRV-NSHDSACASA-N -1 3 429.415 3.430 50 0 IGAAHM Cc1oc(C[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCC(C)CC1 ZINC000065293830 569131077 /nfs/dbraw/zinc/13/10/77/569131077.db2.gz MYDUVOFGYGEHRB-UHFFFAOYSA-N -1 3 445.463 3.352 50 0 IGAAHM Cc1nc(CN2CCC(CNC(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)CC2)oc1C ZINC000170600248 569142637 /nfs/dbraw/zinc/14/26/37/569142637.db2.gz GOFIQLIFPLMHEG-UHFFFAOYSA-N -1 3 430.455 3.465 50 0 IGAAHM COc1cccc(NC(=O)C[C@H](CN2CCN(c3cccc(Cl)c3)CC2)C(=O)[O-])c1 ZINC000071283416 569150713 /nfs/dbraw/zinc/15/07/13/569150713.db2.gz JIXAECQZARWEBN-MRXNPFEDSA-N -1 3 431.920 3.200 50 0 IGAAHM CCOC(=O)[C@@]([N-]c1ccc(F)cc1)(NS(=O)(=O)c1ccc(C)cc1)C(F)(F)F ZINC000002272342 569217768 /nfs/dbraw/zinc/21/77/68/569217768.db2.gz JZSKDZOHELPTIM-QGZVFWFLSA-N -1 3 434.411 3.346 50 0 IGAAHM CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)N(CC)CC)cc(Br)c1[O-] ZINC000013042165 569308300 /nfs/dbraw/zinc/30/83/00/569308300.db2.gz NFRWMWQZKDNIJC-OAHLLOKOSA-N -1 3 442.379 3.215 50 0 IGAAHM Cc1cc(S(=O)(=O)[C@@H](C[N-]S(=O)(=O)c2cccs2)c2cccnc2)ccc1F ZINC000019797366 569329668 /nfs/dbraw/zinc/32/96/68/569329668.db2.gz PYSCWMWCZNPIHS-KRWDZBQOSA-N -1 3 440.543 3.084 50 0 IGAAHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC(=O)c3ccccc32)c(Br)c1 ZINC000095996945 569378934 /nfs/dbraw/zinc/37/89/34/569378934.db2.gz ARNJAUNFMUHEHS-OAHLLOKOSA-N -1 3 438.299 3.232 50 0 IGAAHM COc1cc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCSCC2)cc2c1OCO2 ZINC000096117420 569384069 /nfs/dbraw/zinc/38/40/69/569384069.db2.gz HSJBIBKGBMJEJM-QGZVFWFLSA-N -1 3 435.527 3.169 50 0 IGAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc3c(c2)OCCO3)CCO1 ZINC000096117604 569384278 /nfs/dbraw/zinc/38/42/78/569384278.db2.gz VSIWMPSZCULGCH-FZKQIMNGSA-N -1 3 431.514 3.265 50 0 IGAAHM COc1cc([C@@H]2c3c(=O)[n-]c(C)nc3Oc3c4ccccc4oc(=O)c32)ccc1OC(C)=O ZINC000096580741 569401678 /nfs/dbraw/zinc/40/16/78/569401678.db2.gz UZYCEGVABVJLEA-SFHVURJKSA-N -1 3 446.415 3.405 50 0 IGAAHM CCN(CC)C(=O)Cn1cnc2sc(C(=O)[N-]c3c(F)cccc3F)c(C)c2c1=O ZINC000002477387 569404652 /nfs/dbraw/zinc/40/46/52/569404652.db2.gz HKCQOJIOLMXBGH-UHFFFAOYSA-N -1 3 434.468 3.165 50 0 IGAAHM COc1ccc(Cl)cc1NC(=O)[C@@H](CCSC)[N-]S(=O)(=O)c1cccs1 ZINC000002498803 569405846 /nfs/dbraw/zinc/40/58/46/569405846.db2.gz NFAAYIMRWJRPAH-GFCCVEGCSA-N -1 3 434.992 3.449 50 0 IGAAHM O=C(CCc1ccccc1Br)N[C@H](Cn1c([O-])coc1=O)c1ccccc1 ZINC000225635790 569406159 /nfs/dbraw/zinc/40/61/59/569406159.db2.gz VOKCVWLGIXBEQT-QGZVFWFLSA-N -1 3 431.286 3.218 50 0 IGAAHM Cc1cc(N2CCN([C@@H](C(=O)[O-])c3c[nH]c4ccc(CO)cc43)CC2)nc2ccccc12 ZINC000031807245 569457523 /nfs/dbraw/zinc/45/75/23/569457523.db2.gz OYWHYVUYASZNSY-XMMPIXPASA-N -1 3 430.508 3.465 50 0 IGAAHM COc1ccc(NC(=O)CSc2nnc3[n-]c(=O)c(-c4ccc(Cl)cc4)nn32)cc1 ZINC000008767833 569474917 /nfs/dbraw/zinc/47/49/17/569474917.db2.gz XJJPGJNJCABOLW-UHFFFAOYSA-N -1 3 442.888 3.285 50 0 IGAAHM O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)[N-]CCc3ccccc3)cc21 ZINC000040450457 569506386 /nfs/dbraw/zinc/50/63/86/569506386.db2.gz ORFYEAANPBZHHA-UHFFFAOYSA-N -1 3 449.370 3.269 50 0 IGAAHM O=C([N-]c1c2ccccc2oc1C(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccco1 ZINC000009265242 569517286 /nfs/dbraw/zinc/51/72/86/569517286.db2.gz DIFPXYVDZGMXCA-UHFFFAOYSA-N -1 3 433.420 3.469 50 0 IGAAHM C[C@@]1(CSc2ccccc2C(=O)N[C@@H]2CCSc3ccccc32)NC(=O)[N-]C1=O ZINC000009349006 569524604 /nfs/dbraw/zinc/52/46/04/569524604.db2.gz MACCIHVJYCFHBO-VFNWGFHPSA-N -1 3 427.551 3.344 50 0 IGAAHM O=C([O-])c1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 ZINC000009427443 569533374 /nfs/dbraw/zinc/53/33/74/569533374.db2.gz JCOYCMOSSRINSX-NJDAHSKKSA-N -1 3 430.416 3.142 50 0 IGAAHM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)[N-]c3nnc(-c4ccco4)o3)cc2)C1 ZINC000009427847 569533440 /nfs/dbraw/zinc/53/34/40/569533440.db2.gz UDXGNWZVLWNUOT-ZIAGYGMSSA-N -1 3 430.486 3.249 50 0 IGAAHM Cc1cccc(-n2ncc3c2nc(SCC(=O)Nc2ccc4c(c2)OCO4)[n-]c3=O)c1 ZINC000009595025 569550661 /nfs/dbraw/zinc/55/06/61/569550661.db2.gz JRWJDKXAMTYZQE-UHFFFAOYSA-N -1 3 435.465 3.289 50 0 IGAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000009783638 569567850 /nfs/dbraw/zinc/56/78/50/569567850.db2.gz CYBADQHLDFWZOV-OAHLLOKOSA-N -1 3 434.521 3.096 50 0 IGAAHM O=c1ccc(-c2ccc(F)cc2)nn1CC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000009844599 569570874 /nfs/dbraw/zinc/57/08/74/569570874.db2.gz FXLKTVMWZBFCAF-UHFFFAOYSA-N -1 3 442.299 3.335 50 0 IGAAHM Cc1nn(C)c(C)c1CN(C)C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000071279903 569573577 /nfs/dbraw/zinc/57/35/77/569573577.db2.gz YDLOAGMPHSVHKW-AWEZNQCLSA-N -1 3 426.439 3.217 50 0 IGAAHM COc1ccc(OCCCC(=O)O[C@@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000009956855 569574794 /nfs/dbraw/zinc/57/47/94/569574794.db2.gz LOBVKGFKMOLPRN-HNNXBMFYSA-N -1 3 435.498 3.040 50 0 IGAAHM CCOC([O-])=NC(=O)COC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 ZINC000009603282 132323200 /nfs/dbraw/zinc/32/32/00/132323200.db2.gz KNMCAUJMCFGWJL-UZLBHIALSA-N -1 3 444.509 3.357 50 0 IGAAHM CCOC(=O)[N-]C(=O)COC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 ZINC000009603282 132323201 /nfs/dbraw/zinc/32/32/01/132323201.db2.gz KNMCAUJMCFGWJL-UZLBHIALSA-N -1 3 444.509 3.357 50 0 IGAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(N3CCOCC3)cc1)ON(c1ccccc1)[C@H]2c1ccco1 ZINC000011582383 132338095 /nfs/dbraw/zinc/33/80/95/132338095.db2.gz MRJZHFXLXKCAMK-XPWALMASSA-N -1 3 445.475 3.167 50 0 IGAAHM CCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)ccc21 ZINC000011612430 132338118 /nfs/dbraw/zinc/33/81/18/132338118.db2.gz KMQXENMZWFDOIF-UHFFFAOYSA-N -1 3 432.926 3.382 50 0 IGAAHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(N(C)C)nc(C)n3)cc2)cc1 ZINC000021794775 519731841 /nfs/dbraw/zinc/73/18/41/519731841.db2.gz WJEBXDWUTNEODS-UHFFFAOYSA-N -1 3 440.529 3.354 50 0 IGAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000021643548 519821210 /nfs/dbraw/zinc/82/12/10/519821210.db2.gz FBGNFXFVPSEFSN-SFHVURJKSA-N -1 3 442.006 3.053 50 0 IGAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3S(=O)(=O)CC)cc1C ZINC000012180509 521209720 /nfs/dbraw/zinc/20/97/20/521209720.db2.gz MASWCWGVIVBIEK-UHFFFAOYSA-N -1 3 438.571 3.297 50 0 IGAAHM COc1ccc(OC)c(C[N-]S(=O)(=O)c2cc(C(=O)N3CCC(C)CC3)cs2)c1 ZINC000035405321 524836675 /nfs/dbraw/zinc/83/66/75/524836675.db2.gz MGQYOKIPIZEOGJ-UHFFFAOYSA-N -1 3 438.571 3.116 50 0 IGAAHM C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3ncc(C(=O)NC4CCCCC4)c([O-])c3c2)C1 ZINC000020753924 524887839 /nfs/dbraw/zinc/88/78/39/524887839.db2.gz IPQPZHIQOIRXIY-HOTGVXAUSA-N -1 3 445.585 3.257 50 0 IGAAHM CS(=O)(=O)[N-]c1ccc(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)cc1 ZINC000012532666 525217282 /nfs/dbraw/zinc/21/72/82/525217282.db2.gz QRHBXZKBYCBEJW-UHFFFAOYSA-N -1 3 429.527 3.022 50 0 IGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@H](c3ccco3)N(C)C)cc2)cc1 ZINC000012604761 525298184 /nfs/dbraw/zinc/29/81/84/525298184.db2.gz JCUVOSCLTSTIBF-HXUWFJFHSA-N -1 3 427.526 3.422 50 0 IGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(N4CCOCC4)nc(C)n3)cc2)cc1 ZINC000021794883 525609493 /nfs/dbraw/zinc/60/94/93/525609493.db2.gz DAZDBYXRTYBCEB-UHFFFAOYSA-N -1 3 439.541 3.474 50 0 IGAAHM O=C(NCc1ccccc1)C(=C([O-])c1ccc(Br)cc1)n1ccccc1=O ZINC000012469519 526734339 /nfs/dbraw/zinc/73/43/39/526734339.db2.gz MMRBYPYGHHYSLW-LJQANCHMSA-N -1 3 425.282 3.351 50 0 IGAAHM Cn1c(CCC(=O)Nc2ccccc2[O-])nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000012627487 527046774 /nfs/dbraw/zinc/04/67/74/527046774.db2.gz MCTYHFVVEAMVNZ-UHFFFAOYSA-N -1 3 442.541 3.025 50 0 IGAAHM O=S(=O)([N-]C1CCN(C2CC2)CC1)c1cc(Br)ccc1Br ZINC000012745117 527209303 /nfs/dbraw/zinc/20/93/03/527209303.db2.gz QNTRZRXSQUVGMY-UHFFFAOYSA-N -1 3 438.185 3.117 50 0 IGAAHM CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(CSC)o2)cc1 ZINC000002720236 556126841 /nfs/dbraw/zinc/12/68/41/556126841.db2.gz XUBYUMCLTCTDQI-UHFFFAOYSA-N -1 3 432.527 3.400 50 0 IGAAHM O=C1[N-]C(=O)C(CCc2ccncc2)(CCc2ccncc2)C(=O)N1Cc1ccccc1 ZINC000008997635 556239848 /nfs/dbraw/zinc/23/98/48/556239848.db2.gz JHXXKVWFWGWYSN-UHFFFAOYSA-N -1 3 428.492 3.307 50 0 IGAAHM CCS(=O)(=O)[N-]c1cc2nc(-c3ccccc3)n(C)c2c(C(=O)NCc2cccnc2)c1 ZINC000012055011 556393882 /nfs/dbraw/zinc/39/38/82/556393882.db2.gz KNTKPVZLQSDSEP-UHFFFAOYSA-N -1 3 449.536 3.327 50 0 IGAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)NCc2ccccc2Cl)[n-]c3=O)cc1 ZINC000014239757 556401002 /nfs/dbraw/zinc/40/10/02/556401002.db2.gz HOJKHZTZBRHABZ-UHFFFAOYSA-N -1 3 439.928 3.479 50 0 IGAAHM CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1SC[C@@]1(C)NC(=O)[N-]C1=O ZINC000012991274 556428686 /nfs/dbraw/zinc/42/86/86/556428686.db2.gz WILWHFCHXGAUEE-OAQYLSRUSA-N -1 3 440.550 3.259 50 0 IGAAHM Cc1cccc(-n2ncc3c2nc(SCC(=O)N2c4ccccc4C[C@H]2C)[n-]c3=O)c1 ZINC000013109822 556463623 /nfs/dbraw/zinc/46/36/23/556463623.db2.gz WHCMKGGRXKQLFF-OAHLLOKOSA-N -1 3 431.521 3.487 50 0 IGAAHM CSCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1cccnc1 ZINC000015435882 556527563 /nfs/dbraw/zinc/52/75/63/556527563.db2.gz LRCUAWJQPRNBBQ-AWEZNQCLSA-N -1 3 434.370 3.427 50 0 IGAAHM C[C@H](OC(=O)c1cccc(OC[C@@H]2CCCO2)c1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032903533 556540000 /nfs/dbraw/zinc/54/00/00/556540000.db2.gz LEEPNTMXPYRECB-YWZLYKJASA-N -1 3 447.509 3.044 50 0 IGAAHM COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000072305328 556550510 /nfs/dbraw/zinc/55/05/10/556550510.db2.gz LFJPARBDSWGTJK-PXNSSMCTSA-N -1 3 435.528 3.053 50 0 IGAAHM O=C(CN1CCN(C(=O)c2ccc([O-])cc2)CC1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000072311919 556593376 /nfs/dbraw/zinc/59/33/76/556593376.db2.gz YPAMBFSDHAOAOB-UHFFFAOYSA-N -1 3 440.500 3.051 50 0 IGAAHM CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000100563725 556620745 /nfs/dbraw/zinc/62/07/45/556620745.db2.gz VCFSAPQHUUBITR-WBVHZDCISA-N -1 3 432.263 3.291 50 0 IGAAHM Cc1nc(N2CCC(C)CC2)ncc1-c1cc(=O)[n-]c(N2CCN(c3ccccc3)CC2)n1 ZINC000039383718 556628480 /nfs/dbraw/zinc/62/84/80/556628480.db2.gz CAESLCPRTYPGHT-UHFFFAOYSA-N -1 3 445.571 3.098 50 0 IGAAHM Cc1ccc([N-]S(=O)(=O)c2c(C)cc(N3C(=O)CCS3(=O)=O)cc2C)cc1Cl ZINC000011904787 556670606 /nfs/dbraw/zinc/67/06/06/556670606.db2.gz ZPEAINBFJKHIKP-UHFFFAOYSA-N -1 3 442.946 3.133 50 0 IGAAHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(C)cc(N2C(=O)CCS2(=O)=O)cc1C ZINC000011998387 556679678 /nfs/dbraw/zinc/67/96/78/556679678.db2.gz LCLXIPXEVWGQJD-UHFFFAOYSA-N -1 3 442.946 3.133 50 0 IGAAHM C[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)OCc1c(Cl)cccc1Cl ZINC000003305362 556809110 /nfs/dbraw/zinc/80/91/10/556809110.db2.gz UQEAGWFOMRQUSB-SECBINFHSA-N -1 3 446.337 3.408 50 0 IGAAHM Cc1cc(N2CCOCC2)nc(Nc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n1 ZINC000033078182 556852900 /nfs/dbraw/zinc/85/29/00/556852900.db2.gz OPLFGPMASATEAI-UHFFFAOYSA-N -1 3 425.514 3.166 50 0 IGAAHM Cc1nn2c(c1-c1ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c1)NC(=O)CCC2=O ZINC000033123047 556864069 /nfs/dbraw/zinc/86/40/69/556864069.db2.gz FFUMUSAMWZBGJP-UHFFFAOYSA-N -1 3 442.472 3.479 50 0 IGAAHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)CCCc1nc(-c2ccc(F)cc2)no1 ZINC000033231241 556888716 /nfs/dbraw/zinc/88/87/16/556888716.db2.gz FNKXEOPVBQBYRP-UHFFFAOYSA-N -1 3 427.461 3.155 50 0 IGAAHM CCN(CC[NH+](C)C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000033253974 556894243 /nfs/dbraw/zinc/89/42/43/556894243.db2.gz VOBGYGTZTXDZGD-UHFFFAOYSA-N -1 3 433.574 3.499 50 0 IGAAHM O=C(Nc1ccc(F)cc1)C1CC(=O)Nc2nc(SCCc3ccccc3)[n-]c(=O)c21 ZINC000046074333 557030080 /nfs/dbraw/zinc/03/00/80/557030080.db2.gz RQRKRCSZLXFERB-MRXNPFEDSA-N -1 3 438.484 3.308 50 0 IGAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc(Br)c1)CC(=O)N2 ZINC000046074049 557030106 /nfs/dbraw/zinc/03/01/06/557030106.db2.gz SJVACZNSJKGCOM-NSHDSACASA-N -1 3 437.319 3.099 50 0 IGAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc(C(F)(F)F)c1)CC(=O)N2 ZINC000046074081 557030300 /nfs/dbraw/zinc/03/03/00/557030300.db2.gz YRPBBDIYJCBYRC-LLVKDONJSA-N -1 3 426.420 3.355 50 0 IGAAHM CSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)CC(=O)N2 ZINC000046073823 557030322 /nfs/dbraw/zinc/03/03/22/557030322.db2.gz AHCOIMUSEKHGPT-ZETCQYMHSA-N -1 3 432.811 3.229 50 0 IGAAHM CCc1cc2c(ncn([N-]C(=O)c3ccc4c(c3)nc3n(c4=O)CCCCCC3)c2=O)s1 ZINC000017245879 557044375 /nfs/dbraw/zinc/04/43/75/557044375.db2.gz WOCWLVFIPJRJJR-UHFFFAOYSA-N -1 3 449.536 3.231 50 0 IGAAHM COc1ccccc1CNC(=O)CN1CCc2[n-]c3c(F)c(Cl)ccc3c(=O)c2C1 ZINC000049003265 557091083 /nfs/dbraw/zinc/09/10/83/557091083.db2.gz MMLDEJQOCDCLAU-UHFFFAOYSA-N -1 3 429.879 3.416 50 0 IGAAHM CSCC[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)NC(C)C ZINC000023982571 557129415 /nfs/dbraw/zinc/12/94/15/557129415.db2.gz LVFMMKYQPNYNLT-GFCCVEGCSA-N -1 3 432.917 3.283 50 0 IGAAHM O=C(c1ccc(OC(F)(F)F)cc1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011450767 557149408 /nfs/dbraw/zinc/14/94/08/557149408.db2.gz QLDTVOQOKSUZRT-UHFFFAOYSA-N -1 3 434.461 3.230 50 0 IGAAHM COC(=O)c1occc1COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000024986279 557186486 /nfs/dbraw/zinc/18/64/86/557186486.db2.gz MTTGJXFSERIVAO-UHFFFAOYSA-N -1 3 429.878 3.153 50 0 IGAAHM O=C1c2cccc3cccc(c23)N1CN1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000027534982 557264345 /nfs/dbraw/zinc/26/43/45/557264345.db2.gz ZNMDXCPPIBXUKX-UHFFFAOYSA-N -1 3 427.551 3.262 50 0 IGAAHM O=C(CSCc1nc2c(nnn2Cc2ccc(F)cc2)c(=O)[n-]1)NC1CCCCCC1 ZINC000002910799 557841467 /nfs/dbraw/zinc/84/14/67/557841467.db2.gz HNABGVOMFILXFH-UHFFFAOYSA-N -1 3 444.536 3.187 50 0 IGAAHM CCOc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)ccc1OC ZINC000006552440 562947352 /nfs/dbraw/zinc/94/73/52/562947352.db2.gz WLLPRYOIDRRSSP-UWVAXJGDSA-N -1 3 438.402 3.198 50 0 IGAAHM O=C(/C=C/c1ccc2c(c1)CCO2)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000026074244 568834329 /nfs/dbraw/zinc/83/43/29/568834329.db2.gz HFCBNVBYVQBXLK-KRXBUXKQSA-N -1 3 426.416 3.114 50 0 IGAAHM COc1cccc(OCCOc2ccc(C)cc2[C@H]2SC([N-]C(C)=O)=NN2C(C)=O)c1 ZINC000015833004 568842527 /nfs/dbraw/zinc/84/25/27/568842527.db2.gz MUYIEQUYGOJILE-OAQYLSRUSA-N -1 3 443.525 3.462 50 0 IGAAHM O=C(c1ccccc1Br)N1CCc2nc(Cc3cccc(F)c3)[n-]c(=O)c2C1 ZINC000016531294 568920633 /nfs/dbraw/zinc/92/06/33/568920633.db2.gz ZOLBHPTVLDBLFN-UHFFFAOYSA-N -1 3 442.288 3.461 50 0 IGAAHM CC(N=Nc1nc([N-]c2ccc([N+](=O)[O-])cc2)nc(N2CCOCC2)n1)c1ccccc1 ZINC000252630707 568926271 /nfs/dbraw/zinc/92/62/71/568926271.db2.gz VDSSQTUCLKMHAC-UHFFFAOYSA-N -1 3 434.460 3.196 50 0 IGAAHM C[C@H](C[N-]S(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCC3)o2)cs1)c1ccccc1 ZINC000065098846 569104448 /nfs/dbraw/zinc/10/44/48/569104448.db2.gz IAHPFMXCQMJWQW-CQSZACIVSA-N -1 3 446.554 3.116 50 0 IGAAHM Cc1cc(C)n(CCCNC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)n1 ZINC000010217486 569153238 /nfs/dbraw/zinc/15/32/38/569153238.db2.gz OOGPPFNGBPRHDG-UHFFFAOYSA-N -1 3 445.372 3.068 50 0 IGAAHM COc1cccc(NC(=O)CSc2nc3c(cnn3-c3ccccc3OC)c(=O)[n-]2)c1 ZINC000016960412 569168271 /nfs/dbraw/zinc/16/82/71/569168271.db2.gz ONKXYVDQJHNLIP-UHFFFAOYSA-N -1 3 437.481 3.269 50 0 IGAAHM Cc1cccc(CSc2nnc(Cc3cc(=O)[n-]c(=O)[nH]3)n2-c2cc(C)ccc2C)c1 ZINC000017123044 569174276 /nfs/dbraw/zinc/17/42/76/569174276.db2.gz OSCVIQNRSBVXHI-UHFFFAOYSA-N -1 3 433.537 3.452 50 0 IGAAHM COc1ccc(C(=O)C=c2[nH]c(=O)c3nnc([N-]C(=O)Nc4ccc(Cl)cc4)n32)cc1 ZINC000048552272 569258347 /nfs/dbraw/zinc/25/83/47/569258347.db2.gz ZSGYYYXPIWIXOP-UHFFFAOYSA-N -1 3 438.831 3.258 50 0 IGAAHM COc1ccc(C(=O)CC2=NC(=O)c3nnc([N-]C(=O)Nc4ccc(Cl)cc4)n32)cc1 ZINC000048552272 569258348 /nfs/dbraw/zinc/25/83/48/569258348.db2.gz ZSGYYYXPIWIXOP-UHFFFAOYSA-N -1 3 438.831 3.258 50 0 IGAAHM CCOc1ccc(NC(=O)[C@H]([N-]S(=O)(=O)c2cccc3nsnc32)C(C)C)cc1 ZINC000020280903 569358804 /nfs/dbraw/zinc/35/88/04/569358804.db2.gz WWVSXLMGMHJFIS-QGZVFWFLSA-N -1 3 434.543 3.032 50 0 IGAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000020280980 569358808 /nfs/dbraw/zinc/35/88/08/569358808.db2.gz XKHWSZGHAZIJLP-OAHLLOKOSA-N -1 3 442.925 3.425 50 0 IGAAHM O=C(Nc1cnccc1CO)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000095451360 569367881 /nfs/dbraw/zinc/36/78/81/569367881.db2.gz MECIWDYXXRIUPA-UHFFFAOYSA-N -1 3 435.864 3.420 50 0 IGAAHM Cc1nc2ccccc2n(CCC[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1=O ZINC000095468723 569371392 /nfs/dbraw/zinc/37/13/92/569371392.db2.gz USMBNZXMCJGTAV-UHFFFAOYSA-N -1 3 426.325 3.380 50 0 IGAAHM O=C1c2cc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)ccc2OCC[C@H]2CCCCN12 ZINC000096025904 569380795 /nfs/dbraw/zinc/38/07/95/569380795.db2.gz SSBKRTIUXNZPRY-QGZVFWFLSA-N -1 3 428.510 3.200 50 0 IGAAHM CS(=O)(=O)[N-]c1ccc2nc(SCC(=O)NCc3cccc(F)c3)sc2c1 ZINC000096399465 569399969 /nfs/dbraw/zinc/39/99/69/569399969.db2.gz GZCNYROSVHAZOV-UHFFFAOYSA-N -1 3 425.532 3.215 50 0 IGAAHM CCCn1c(=O)[n-]c(=O)c2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cnc21 ZINC000029600499 569431618 /nfs/dbraw/zinc/43/16/18/569431618.db2.gz MQGJVTKJEKNHAU-UHFFFAOYSA-N -1 3 426.782 3.419 50 0 IGAAHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@@H]3CC(=O)N(C4CCCC4)C3)s2)cs1 ZINC000670445436 569452090 /nfs/dbraw/zinc/45/20/90/569452090.db2.gz NBVXIJNLARSYMW-ZDUSSCGKSA-N -1 3 425.601 3.249 50 0 IGAAHM CC(=O)NCc1ccc(S(=O)(=O)[N-]Cc2cccnc2Oc2cccc(F)c2)s1 ZINC000032437794 569461706 /nfs/dbraw/zinc/46/17/06/569461706.db2.gz AXBDTLUXGUCLLD-UHFFFAOYSA-N -1 3 435.502 3.189 50 0 IGAAHM COCCNC(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc([O-])cc1)CC2 ZINC000008629141 569469473 /nfs/dbraw/zinc/46/94/73/569469473.db2.gz QNOVWWVAMGPXHJ-SAPNQHFASA-N -1 3 432.476 3.347 50 0 IGAAHM Cc1cc(C(=O)CSc2n[n-]c(-c3cccs3)n2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000008944060 569488946 /nfs/dbraw/zinc/48/89/46/569488946.db2.gz HXJRWJFMLCHBJK-ZDUSSCGKSA-N -1 3 436.584 3.286 50 0 IGAAHM Cn1ccnc1CN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C1CC1 ZINC000040115330 569489228 /nfs/dbraw/zinc/48/92/28/569489228.db2.gz ANJYKYYOVMBBPT-UHFFFAOYSA-N -1 3 428.489 3.165 50 0 IGAAHM O=c1ccc(-c2ccco2)nn1CC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000008954733 569490046 /nfs/dbraw/zinc/49/00/46/569490046.db2.gz OKIZDXAHGFBPJD-UHFFFAOYSA-N -1 3 447.822 3.154 50 0 IGAAHM Cc1ccccc1OCc1nc(S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)n[n-]1 ZINC000009056917 569499150 /nfs/dbraw/zinc/49/91/50/569499150.db2.gz FGNKRFMOWJOAHD-CQSZACIVSA-N -1 3 426.498 3.218 50 0 IGAAHM CCN1c2cc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)ccc2OCC(C)(C)C1=O ZINC000009170408 569509345 /nfs/dbraw/zinc/50/93/45/569509345.db2.gz JFECTDLBWUIFMP-UHFFFAOYSA-N -1 3 431.514 3.217 50 0 IGAAHM O=C(Cc1sc(N2CCCCC2)nc1[O-])Nc1cccc(C(=O)Nc2ccncc2)c1 ZINC000009285655 569519209 /nfs/dbraw/zinc/51/92/09/569519209.db2.gz GKWLHVOJFFNPLH-GOSISDBHSA-N -1 3 437.525 3.146 50 0 IGAAHM O=C(Cc1sc(N2CCCCC2)nc1[O-])Nc1cccc(C(=O)Nc2ccncc2)c1 ZINC000009285657 569519213 /nfs/dbraw/zinc/51/92/13/569519213.db2.gz GKWLHVOJFFNPLH-SFHVURJKSA-N -1 3 437.525 3.146 50 0 IGAAHM CC(C)(C)OC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000009318153 569522408 /nfs/dbraw/zinc/52/24/08/569522408.db2.gz QOPJOKXYJYMBFB-UHFFFAOYSA-N -1 3 439.917 3.317 50 0 IGAAHM C[C@@H](OC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000009367497 569526441 /nfs/dbraw/zinc/52/64/41/569526441.db2.gz PYRFJSNZDXPLQA-LLVKDONJSA-N -1 3 431.388 3.385 50 0 IGAAHM Cc1ccccc1CSc1nnc(Cc2cc(=O)[n-]c(=O)[nH]2)n1-c1ccc(Cl)cc1 ZINC000009382096 569528238 /nfs/dbraw/zinc/52/82/38/569528238.db2.gz BZVNXXQEVVRHOP-UHFFFAOYSA-N -1 3 439.928 3.489 50 0 IGAAHM NC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)cc1 ZINC000009491791 569540466 /nfs/dbraw/zinc/54/04/66/569540466.db2.gz PHVXZEWJFWLVKT-UHFFFAOYSA-N -1 3 429.885 3.492 50 0 IGAAHM O=C1N[C@]2(CCCc3sccc32)C(=O)N1Cc1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000009494925 569540958 /nfs/dbraw/zinc/54/09/58/569540958.db2.gz SSECFGHAWPNOQO-NRFANRHFSA-N -1 3 440.550 3.209 50 0 IGAAHM O=C(Cn1c(=O)oc2ccccc21)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009642111 569555806 /nfs/dbraw/zinc/55/58/06/569555806.db2.gz DAPCTLGCJXGUBV-UHFFFAOYSA-N -1 3 441.440 3.173 50 0 IGAAHM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCCn3ccnc3)ccc2C)cc1C ZINC000009668790 569558010 /nfs/dbraw/zinc/55/80/10/569558010.db2.gz NJXZVQAHBDSBQR-UHFFFAOYSA-N -1 3 426.542 3.429 50 0 IGAAHM O=S(=O)([N-]C[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1cccs1 ZINC000009742254 569565340 /nfs/dbraw/zinc/56/53/40/569565340.db2.gz WWYSMXYGMNWFGS-HNNXBMFYSA-N -1 3 431.557 3.442 50 0 IGAAHM O=S(=O)([N-]C[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1cccs1 ZINC000009742248 569565349 /nfs/dbraw/zinc/56/53/49/569565349.db2.gz WWYSMXYGMNWFGS-OAHLLOKOSA-N -1 3 431.557 3.442 50 0 IGAAHM O=C(Cc1cccc(C(F)(F)F)c1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000009853665 569571524 /nfs/dbraw/zinc/57/15/24/569571524.db2.gz RPFVYZQZFPBSDE-UHFFFAOYSA-N -1 3 432.489 3.279 50 0 IGAAHM O=C(NC1CCN(C2CC2)CC1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000009961544 569575647 /nfs/dbraw/zinc/57/56/47/569575647.db2.gz UKSOTTKIWKTHKX-UHFFFAOYSA-N -1 3 433.961 3.497 50 0 IGAAHM