smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1c2ccccc2nc1NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000010651147 530552957 /nfs/dbraw/zinc/55/29/57/530552957.db2.gz YIFOXTTWESVOKL-UHFFFAOYSA-N -1 3 378.479 2.425 50 0 GEAAHM CCOC(=O)C(Sc1nc2sc3c(c2c(=O)n1C)CCCC3)=C(C)[O-] ZINC000001033729 531500222 /nfs/dbraw/zinc/50/02/22/531500222.db2.gz LFTAXBAMBNRXAL-ZDUSSCGKSA-N -1 3 380.491 2.487 50 0 GEAAHM COC(=O)[C@@]([O-])(CC(=O)Nc1ccc(Br)cc1F)C(F)(F)F ZINC000002767734 531505819 /nfs/dbraw/zinc/50/58/19/531505819.db2.gz BQSSDNDOYMUOBN-NSHDSACASA-N -1 3 388.111 2.383 50 0 GEAAHM COC(=O)[C@]([O-])(CC(=O)Nc1ccc(Br)cc1F)C(F)(F)F ZINC000002767735 531506267 /nfs/dbraw/zinc/50/62/67/531506267.db2.gz BQSSDNDOYMUOBN-LLVKDONJSA-N -1 3 388.111 2.383 50 0 GEAAHM NS(=O)(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000019923868 531579857 /nfs/dbraw/zinc/57/98/57/531579857.db2.gz ADCJKLVTTCEUCS-UHFFFAOYSA-N -1 3 397.865 2.336 50 0 GEAAHM CSc1nc2sc3c(c2c(N2CCN(CC(=O)[O-])CC2)n1)CCCC3 ZINC000032074869 531646649 /nfs/dbraw/zinc/64/66/49/531646649.db2.gz CSWMJFZTWOFXAK-UHFFFAOYSA-N -1 3 378.523 2.499 50 0 GEAAHM CCN1CCN([C@@H](C)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000032594040 531655080 /nfs/dbraw/zinc/65/50/80/531655080.db2.gz PWXWTCQDMSVSOK-LBPRGKRZSA-N -1 3 380.341 2.298 50 0 GEAAHM Cc1nn(C)c(Cl)c1CS(=O)(=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000155985536 531709394 /nfs/dbraw/zinc/70/93/94/531709394.db2.gz IHGUAPARTCHZPK-UHFFFAOYSA-N -1 3 384.767 2.011 50 0 GEAAHM CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)[N-]CCO)c2)s1 ZINC000003817546 204019271 /nfs/dbraw/zinc/01/92/71/204019271.db2.gz JFVNFXCESCXMBC-UHFFFAOYSA-N -1 3 389.886 2.001 50 0 in-vivo GEAAHM Cc1nn2c(nnc2SCC(=O)c2ccc(Br)cc2)[n-]c1=O ZINC000004251379 204033721 /nfs/dbraw/zinc/03/37/21/204033721.db2.gz KKHMHOYHVLFDPW-UHFFFAOYSA-N -1 3 380.227 2.271 50 0 GEAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000004879858 204085736 /nfs/dbraw/zinc/08/57/36/204085736.db2.gz NZQFDNNYULXYRO-INIZCTEOSA-N -1 3 396.490 2.096 50 0 GEAAHM CCOC(=O)C1=C(C)Nc2[nH]c(=O)[n-]c(=O)c2[C@@H]1c1ccc2ncccc2c1 ZINC000005525849 204137525 /nfs/dbraw/zinc/13/75/25/204137525.db2.gz YUNHXUGNEPBYIT-OAHLLOKOSA-N -1 3 378.388 2.006 50 0 GEAAHM O=C(C1CC1)N1CCC(c2nc3c(nnn3Cc3ccccc3F)c(=O)[n-]2)CC1 ZINC000009202224 204301801 /nfs/dbraw/zinc/30/18/01/204301801.db2.gz AAPPGQCXSVKFAQ-UHFFFAOYSA-N -1 3 396.426 2.230 50 0 GEAAHM CCc1ccccc1[N-]S(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 ZINC000011858381 204357758 /nfs/dbraw/zinc/35/77/58/204357758.db2.gz FLLFSIMFOLYVEA-UHFFFAOYSA-N -1 3 394.474 2.116 50 0 GEAAHM Cc1noc(C)c1C(=O)N1CCC[C@@H](C[N-]S(=O)(=O)c2cccs2)C1 ZINC000012596088 204429735 /nfs/dbraw/zinc/42/97/35/204429735.db2.gz CFLMBBUXQIDRQB-ZDUSSCGKSA-N -1 3 383.495 2.184 50 0 GEAAHM O=C(Nc1ccccc1[O-])C(=O)N1CCN(c2nsc3ccccc32)CC1 ZINC000036357826 205014333 /nfs/dbraw/zinc/01/43/33/205014333.db2.gz LERJIVYEJLUPPY-UHFFFAOYSA-N -1 3 382.445 2.289 50 0 GEAAHM Cc1nc(-c2cc(=O)[n-]c(-c3ccccc3CN3CCN(C)C(=O)C3)n2)cs1 ZINC000048267902 205115850 /nfs/dbraw/zinc/11/58/50/205115850.db2.gz DPBAHQUSTJQAKO-UHFFFAOYSA-N -1 3 395.488 2.143 50 0 GEAAHM O=C(COC(=O)c1cc(Cl)c2ccccc2c1[O-])NCC(=O)N1CCCC1 ZINC000051692930 205133613 /nfs/dbraw/zinc/13/36/13/205133613.db2.gz UBQSFOHZADEDTI-UHFFFAOYSA-N -1 3 390.823 2.094 50 0 GEAAHM CCOC(=O)c1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)[n-]2)cc1 ZINC000057520816 205160118 /nfs/dbraw/zinc/16/01/18/205160118.db2.gz DQIBMGFSIDGESR-UHFFFAOYSA-N -1 3 386.433 2.467 50 0 GEAAHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NCCc1cccc(F)c1 ZINC000058167436 205166490 /nfs/dbraw/zinc/16/64/90/205166490.db2.gz PQHBXUDSLFRGFY-UHFFFAOYSA-N -1 3 376.862 2.178 50 0 GEAAHM COc1ccc(S(N)(=O)=O)cc1[N-]C(=O)c1cc(-c2cccs2)on1 ZINC000058644660 205176809 /nfs/dbraw/zinc/17/68/09/205176809.db2.gz DGOYBCFAGBNYEL-UHFFFAOYSA-N -1 3 379.419 2.311 50 0 GEAAHM COc1ccc2cc(C(=O)[C@@H]3CCCN(Cc4cc(=O)[n-]c(=O)[nH]4)C3)ccc2c1 ZINC000067490041 205249137 /nfs/dbraw/zinc/24/91/37/205249137.db2.gz KRIJWGFIOYYYQE-QGZVFWFLSA-N -1 3 393.443 2.320 50 0 GEAAHM Cc1cc(N2CCCCC2)nc(NCC[N-]S(=O)(=O)c2cccs2)n1 ZINC000067629474 205251901 /nfs/dbraw/zinc/25/19/01/205251901.db2.gz OXNUKVPFPIGAET-UHFFFAOYSA-N -1 3 381.527 2.227 50 0 GEAAHM CCn1ncnc1-c1c(-c2ccccc2)ncn1CCNc1nc(C)cc(=O)[n-]1 ZINC000067679358 205255219 /nfs/dbraw/zinc/25/52/19/205255219.db2.gz OEZGRXYMCISDPU-UHFFFAOYSA-N -1 3 390.451 2.332 50 0 GEAAHM O=C(c1cccc([O-])c1)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2)CC1 ZINC000067754952 205259496 /nfs/dbraw/zinc/25/94/96/205259496.db2.gz DIZGJOWXSGQQDX-UHFFFAOYSA-N -1 3 378.432 2.361 50 0 GEAAHM CC(C)c1nc(S(=O)(=O)[N-]C[C@](O)(c2ccco2)c2cccs2)cn1C ZINC000225590556 206059526 /nfs/dbraw/zinc/05/95/26/206059526.db2.gz DCVXVJKRQOEOKW-KRWDZBQOSA-N -1 3 395.506 2.412 50 0 GEAAHM CC(C)c1nc(S(=O)(=O)[N-][C@@H](c2cccnc2)C2CCOCC2)cn1C ZINC000225625618 206061800 /nfs/dbraw/zinc/06/18/00/206061800.db2.gz VIIYNNYKAQQIDC-QGZVFWFLSA-N -1 3 378.498 2.385 50 0 GEAAHM COC(=O)c1csc(N2NC3=C(COc4ccccc43)[C@]2([O-])C(F)(F)F)n1 ZINC000005275040 206215930 /nfs/dbraw/zinc/21/59/30/206215930.db2.gz HCNVRRYNDYLIDJ-PSLIRLAXSA-N -1 3 399.350 2.414 50 0 GEAAHM COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC[C@H]2CCCO2)cc(Cl)c1[O-] ZINC000000706397 533123017 /nfs/dbraw/zinc/12/30/17/533123017.db2.gz CWIRGHMRUNPYIC-ABAIWWIYSA-N -1 3 396.827 2.404 50 0 GEAAHM Cc1cccc(N2C[C@H](C)N(C(=O)c3ccccc3-c3nnn[n-]3)CC2=O)c1 ZINC000082137517 136173999 /nfs/dbraw/zinc/17/39/99/136173999.db2.gz YFWFHYSQPDPKNG-AWEZNQCLSA-N -1 3 376.420 2.053 50 0 GEAAHM Cc1cccc(N2C[C@H](C)N(C(=O)c3ccccc3-c3nn[n-]n3)CC2=O)c1 ZINC000082137517 136174000 /nfs/dbraw/zinc/17/40/00/136174000.db2.gz YFWFHYSQPDPKNG-AWEZNQCLSA-N -1 3 376.420 2.053 50 0 GEAAHM Cc1ccc(C(=O)[O-])c(N2CCC3(CCC(=O)N([C@H]4CCN(C)C4)C3)CC2)n1 ZINC000095365554 136178352 /nfs/dbraw/zinc/17/83/52/136178352.db2.gz KTWZSMVGURTBKF-INIZCTEOSA-N -1 3 386.496 2.001 50 0 GEAAHM O=C([O-])[C@@H](c1ccc(N2CCCCC2)nc1)N1CCN(c2ccncc2)CC1 ZINC000095380617 136178647 /nfs/dbraw/zinc/17/86/47/136178647.db2.gz YPBPPPSVDIOIIV-HXUWFJFHSA-N -1 3 381.480 2.415 50 0 GEAAHM O=c1occ(CN2CCCCC2)c([O-])c1CN1CCN(c2ccccn2)CC1 ZINC000101374677 136189413 /nfs/dbraw/zinc/18/94/13/136189413.db2.gz GAMUOVXTMXVERS-UHFFFAOYSA-N -1 3 384.480 2.049 50 0 GEAAHM CC(C)[N-]S(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCCC3)o2)cs1 ZINC000065098954 222100242 /nfs/dbraw/zinc/10/02/42/222100242.db2.gz GIKHLGKYDFTSQW-UHFFFAOYSA-N -1 3 384.483 2.111 50 0 GEAAHM Cc1nc([C@@H]2CCCN(C(=O)Nc3ccc4c(c3)oc(=O)n4C)C2)cc(=O)[n-]1 ZINC000426477603 534502569 /nfs/dbraw/zinc/50/25/69/534502569.db2.gz RWMLUXUDAAKFNY-GFCCVEGCSA-N -1 3 383.408 2.347 50 0 GEAAHM O=C1C[C@H](C[N-]S(=O)(=O)c2ccc(F)cc2F)CN1c1ccc(F)cc1 ZINC000009036469 570210067 /nfs/dbraw/zinc/21/00/67/570210067.db2.gz HKZCBYONNGHGGD-LLVKDONJSA-N -1 3 384.379 2.435 50 0 GEAAHM COCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1cccc(Cl)c1)C3 ZINC000019821223 570222890 /nfs/dbraw/zinc/22/28/90/570222890.db2.gz AFGANRXULSKMLY-LBPRGKRZSA-N -1 3 399.834 2.297 50 0 GEAAHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000001063298 570239875 /nfs/dbraw/zinc/23/98/75/570239875.db2.gz XIZVQVUTJZRJAK-UHFFFAOYSA-N -1 3 377.441 2.160 50 0 GEAAHM CCc1nc2ccccc2n1CC(=O)Nc1nc(-c2ccccc2OC)n[n-]1 ZINC000048363890 570245254 /nfs/dbraw/zinc/24/52/54/570245254.db2.gz HJZIISHEMOKGFZ-UHFFFAOYSA-N -1 3 376.420 2.453 50 0 GEAAHM CCc1[n-]nc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1C(=O)OC ZINC000048991592 570255594 /nfs/dbraw/zinc/25/55/94/570255594.db2.gz KGIVHYOHXZSZKV-UHFFFAOYSA-N -1 3 391.493 2.402 50 0 GEAAHM Cc1c(C)n(CCN2CCOCC2)c2ncn3nc(-c4ccccc4[O-])nc3c12 ZINC000020589268 570269316 /nfs/dbraw/zinc/26/93/16/570269316.db2.gz HNVYOZWIVLPYOE-UHFFFAOYSA-N -1 3 392.463 2.401 50 0 GEAAHM Cc1ccc(F)c(S(=O)(=O)[N-]c2cn(C)cc(Br)c2=O)c1 ZINC000095468580 570296969 /nfs/dbraw/zinc/29/69/69/570296969.db2.gz ZYTUJPKHDGEWRU-UHFFFAOYSA-N -1 3 375.219 2.396 50 0 GEAAHM CCOC(=O)C(=O)[N-]c1sc(C(=O)NC2CCCC2)c(C)c1C(=O)OCC ZINC000002758808 570298766 /nfs/dbraw/zinc/29/87/66/570298766.db2.gz WDNMVANENAQTCZ-UHFFFAOYSA-N -1 3 396.465 2.407 50 0 GEAAHM COc1ccc([C@H]2[C@H](S(=O)(=O)[N-]CCc3ccccc3)CON2C)cc1 ZINC000034738795 570329689 /nfs/dbraw/zinc/32/96/89/570329689.db2.gz RGHJVISWGBHVQI-MOPGFXCFSA-N -1 3 376.478 2.144 50 0 GEAAHM O=C(c1ccc2n[n-]nc2c1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000023845682 570373671 /nfs/dbraw/zinc/37/36/71/570373671.db2.gz CBQJUBCYRMTSQE-UHFFFAOYSA-N -1 3 376.342 2.334 50 0 GEAAHM O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000024528885 570385243 /nfs/dbraw/zinc/38/52/43/570385243.db2.gz SNCMWJDGQMUWNM-UHFFFAOYSA-N -1 3 393.403 2.178 50 0 GEAAHM COc1ccccc1NC(=O)[C@@H](C)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000012978624 570385749 /nfs/dbraw/zinc/38/57/49/570385749.db2.gz FDTRTRNSWBOGNB-OAHLLOKOSA-N -1 3 383.448 2.186 50 0 GEAAHM O=C(c1c[n-]c2cc(Cl)ccc2c1=O)N1CCC(O)(Cn2ccnc2)CC1 ZINC000220633875 570389849 /nfs/dbraw/zinc/38/98/49/570389849.db2.gz KCAXGVIOXONQHI-UHFFFAOYSA-N -1 3 386.839 2.458 50 0 GEAAHM Cc1cccc(C(=O)NCCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1 ZINC000024885239 570397491 /nfs/dbraw/zinc/39/74/91/570397491.db2.gz FHDPKNHMFPJASX-UHFFFAOYSA-N -1 3 375.450 2.125 50 0 GEAAHM O=S(=O)([N-]CCN1CCN(Cc2ccccc2)CC1)c1cc(F)ccc1F ZINC000026955690 570430305 /nfs/dbraw/zinc/43/03/05/570430305.db2.gz QDVMJPCYNXQMJW-UHFFFAOYSA-N -1 3 395.475 2.061 50 0 GEAAHM Cc1ccc(-n2c(=O)[nH]c([O-])c([C@@H]3NCCc4c5ccccc5[nH]c43)c2=O)cc1 ZINC000100754588 570440570 /nfs/dbraw/zinc/44/05/70/570440570.db2.gz ACBZHHBZYQWZKB-IBGZPJMESA-N -1 3 388.427 2.256 50 0 GEAAHM Cc1ccc(-n2c([O-])c([C@@H]3NCCc4c5ccccc5[nH]c43)c(=O)[nH]c2=O)cc1 ZINC000100754588 570440572 /nfs/dbraw/zinc/44/05/72/570440572.db2.gz ACBZHHBZYQWZKB-IBGZPJMESA-N -1 3 388.427 2.256 50 0 GEAAHM CC[C@@H](CNC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C)c1ccccc1 ZINC000029476934 570474302 /nfs/dbraw/zinc/47/43/02/570474302.db2.gz QTLZJBDHSAXIKH-ZFWWWQNUSA-N -1 3 379.482 2.268 50 0 GEAAHM COc1cccc(CN2CCN(c3nc(CN4CCCCC4)cc(=O)[n-]3)CC2)c1 ZINC000035925351 570479674 /nfs/dbraw/zinc/47/96/74/570479674.db2.gz VDQKIOLRJNMMQM-UHFFFAOYSA-N -1 3 397.523 2.087 50 0 GEAAHM O=C(c1ccccn1)N1CC[C@@H]([N-]S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000079110999 570510199 /nfs/dbraw/zinc/51/01/99/570510199.db2.gz AMUSGOJCYNEEIU-GFCCVEGCSA-N -1 3 399.394 2.293 50 0 GEAAHM Cc1nc(N2CCN(C)CC2)ncc1-c1cc(=O)[n-]c(Nc2ccc(F)cc2)n1 ZINC000036235632 570561305 /nfs/dbraw/zinc/56/13/05/570561305.db2.gz LRUXMYGVGCXXGN-UHFFFAOYSA-N -1 3 395.442 2.170 50 0 GEAAHM Cc1cccc(-n2c(=O)[nH]c([O-])c([C@@H]3NCCc4c5ccccc5[nH]c43)c2=O)c1 ZINC000017194529 570701673 /nfs/dbraw/zinc/70/16/73/570701673.db2.gz SIDDZCWUMCZWPZ-IBGZPJMESA-N -1 3 388.427 2.256 50 0 GEAAHM Cc1cccc(-n2c([O-])c([C@@H]3NCCc4c5ccccc5[nH]c43)c(=O)[nH]c2=O)c1 ZINC000017194529 570701677 /nfs/dbraw/zinc/70/16/77/570701677.db2.gz SIDDZCWUMCZWPZ-IBGZPJMESA-N -1 3 388.427 2.256 50 0 GEAAHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000019080123 570731104 /nfs/dbraw/zinc/73/11/04/570731104.db2.gz SHDSISJTXVWDSE-OAHLLOKOSA-N -1 3 385.474 2.493 50 0 GEAAHM Cn1cccc1C(=O)NCC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000032760515 570795539 /nfs/dbraw/zinc/79/55/39/570795539.db2.gz JFPJYSBEESMYCM-UHFFFAOYSA-N -1 3 376.265 2.040 50 0 GEAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NCCCCOc1ccccc1 ZINC000014077478 570818724 /nfs/dbraw/zinc/81/87/24/570818724.db2.gz WOQYHRFMQGGFPZ-UHFFFAOYSA-N -1 3 381.432 2.055 50 0 GEAAHM O=C(Cn1[n-]c(=O)c2ccccc2c1=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000014201884 570829600 /nfs/dbraw/zinc/82/96/00/570829600.db2.gz QNOAYZCOMKPMOD-QGZVFWFLSA-N -1 3 396.447 2.039 50 0 GEAAHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1ccccc1N1CCCC1=O ZINC000032820801 570841996 /nfs/dbraw/zinc/84/19/96/570841996.db2.gz LCIZSCPXNFUXEU-UHFFFAOYSA-N -1 3 393.490 2.182 50 0 GEAAHM C[C@@H](OC(=O)c1cccc([N-]S(C)(=O)=O)c1)C(=O)N1CCc2ccccc21 ZINC000015279137 570886309 /nfs/dbraw/zinc/88/63/09/570886309.db2.gz QRGMKXRFMQJMEA-CYBMUJFWSA-N -1 3 388.445 2.193 50 0 GEAAHM CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)CNC(=O)c1cccc([O-])c1 ZINC000097095809 570891975 /nfs/dbraw/zinc/89/19/75/570891975.db2.gz UYPTZWGNZPBNEE-HNNXBMFYSA-N -1 3 391.468 2.028 50 0 GEAAHM Cc1cc(S(=O)(=O)[N-][C@H](C)Cn2ncc3ccccc3c2=O)c(F)cc1F ZINC000121016268 570899468 /nfs/dbraw/zinc/89/94/68/570899468.db2.gz WAJDRORGRYIVJF-GFCCVEGCSA-N -1 3 393.415 2.350 50 0 GEAAHM CC(=O)N[C@H](CC(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccccc1 ZINC000012735411 570978049 /nfs/dbraw/zinc/97/80/49/570978049.db2.gz MCPDDCSIXPNZNF-MRXNPFEDSA-N -1 3 393.440 2.403 50 0 GEAAHM O=C1[C@@H](c2ccccc2)S(=O)(=O)C=C([O-])N1c1ccc(Br)cc1 ZINC000001402946 570982659 /nfs/dbraw/zinc/98/26/59/570982659.db2.gz SMAMCIFJULFZKB-OAHLLOKOSA-N -1 3 394.246 2.478 50 0 GEAAHM Cc1nc(C)c(CCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c(=O)[n-]1 ZINC000012767328 571019108 /nfs/dbraw/zinc/01/91/08/571019108.db2.gz KWYWCDLCCIYGNH-KRWDZBQOSA-N -1 3 383.448 2.454 50 0 GEAAHM CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(F)ccc1F)CC(=O)N2 ZINC000046075766 571019513 /nfs/dbraw/zinc/01/95/13/571019513.db2.gz NZAFBYABTVKPHO-QMMMGPOBSA-N -1 3 380.376 2.225 50 0 GEAAHM C[C@@H](CNC(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[n-]c1=O)N1CCCC1 ZINC000091707453 571026795 /nfs/dbraw/zinc/02/67/95/571026795.db2.gz WEIPTHLGYLQIGC-HIGJEIRPSA-N -1 3 384.524 2.452 50 0 GEAAHM O=C(c1cccc([O-])c1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1 ZINC000091707291 571026814 /nfs/dbraw/zinc/02/68/14/571026814.db2.gz OLLIRXIBEDFTMC-UHFFFAOYSA-N -1 3 394.475 2.432 50 0 GEAAHM O=C(NC[C@H]1CCOC1)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O ZINC000091942993 571037080 /nfs/dbraw/zinc/03/70/80/571037080.db2.gz ZZLLKAGSBIJSHW-SNVBAGLBSA-N -1 3 382.247 2.434 50 0 GEAAHM Cc1ccc(-c2cc(C(=O)N3CCc4c(=O)[n-]c(CC5CC5)nc4C3)[nH]n2)o1 ZINC000092062339 571043253 /nfs/dbraw/zinc/04/32/53/571043253.db2.gz YLPSQHHUTBVVEE-UHFFFAOYSA-N -1 3 379.420 2.212 50 0 GEAAHM O=C(c1ccccc1-c1nnn[n-]1)N1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 ZINC000095358110 571053254 /nfs/dbraw/zinc/05/32/54/571053254.db2.gz UIYGOZWMYFFRIG-DZGCQCFKSA-N -1 3 395.492 2.060 50 0 GEAAHM O=C(c1ccccc1-c1nn[n-]n1)N1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 ZINC000095358110 571053259 /nfs/dbraw/zinc/05/32/59/571053259.db2.gz UIYGOZWMYFFRIG-DZGCQCFKSA-N -1 3 395.492 2.060 50 0 GEAAHM Cc1cc(C[N-]S(=O)(=O)c2cccc(C(=O)N3C[C@H]4C[C@@H]3CCC4)c2)no1 ZINC000095362617 571056551 /nfs/dbraw/zinc/05/65/51/571056551.db2.gz MXJOEAHOARTCDZ-PBHICJAKSA-N -1 3 389.477 2.476 50 0 GEAAHM O=C([O-])[C@H](c1cccc(-c2cc[nH]n2)c1)N1CCN(Cc2cccnc2)CC1 ZINC000095364324 571057587 /nfs/dbraw/zinc/05/75/87/571057587.db2.gz KNHCUGAKLPVIOB-FQEVSTJZSA-N -1 3 377.448 2.415 50 0 GEAAHM Cc1ccc(F)cc1[C@H](C(=O)[O-])N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000095372726 571062296 /nfs/dbraw/zinc/06/22/96/571062296.db2.gz RXMXKNAYBPCIPC-QGZVFWFLSA-N -1 3 377.460 2.066 50 0 GEAAHM Cc1nc(CCNC(=O)[C@@H]2CCCN(Cc3ccco3)C2)sc1C(=O)[O-] ZINC000095500326 571075688 /nfs/dbraw/zinc/07/56/88/571075688.db2.gz RMXPCTXBUFSXMM-CYBMUJFWSA-N -1 3 377.466 2.314 50 0 GEAAHM COc1ccc(CN2C[C@@H]3c4cccc(OC)c4OC[C@]3(C(=O)[O-])C2)cc1O ZINC000095501959 571076726 /nfs/dbraw/zinc/07/67/26/571076726.db2.gz JBWXFSGGNDVYMB-QVKFZJNVSA-N -1 3 385.416 2.472 50 0 GEAAHM O=S(=O)([N-]C[C@@H]1CCCN(CCn2cc(Cl)cn2)C1)c1cccs1 ZINC000095518626 571085706 /nfs/dbraw/zinc/08/57/06/571085706.db2.gz WJLGCWPGRZQPAX-ZDUSSCGKSA-N -1 3 388.946 2.289 50 0 GEAAHM CCC(=O)C[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000095945072 643088861 /nfs/dbraw/zinc/08/88/61/643088861.db2.gz XROHPTCBXDJXAZ-UHFFFAOYSA-N -1 3 385.077 2.469 50 0 GEAAHM Cc1cc(=O)[n-]c(CCNC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000426562990 231241679 /nfs/dbraw/zinc/24/16/79/231241679.db2.gz MGJGNFYTSVMTFC-OAHLLOKOSA-N -1 3 376.844 2.470 50 0 GEAAHM CCCN1c2ccc(Cl)cc2[C@]2(SC([N-]C(C)=O)=NN2C(C)=O)C1=O ZINC000002353980 531502461 /nfs/dbraw/zinc/50/24/61/531502461.db2.gz STJGUBKDRQVYQZ-INIZCTEOSA-N -1 3 380.857 2.252 50 0 GEAAHM O=c1ccc(-c2ccco2)nn1CC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000008954727 531547596 /nfs/dbraw/zinc/54/75/96/531547596.db2.gz BCLWMTGEWVTVSP-UHFFFAOYSA-N -1 3 385.854 2.197 50 0 GEAAHM CN1CCN(C2=NC(=O)/C(=C/c3cc(Br)ccc3[O-])S2)CC1 ZINC000023115529 531594165 /nfs/dbraw/zinc/59/41/65/531594165.db2.gz MRVHXAKCDVGREZ-LCYFTJDESA-N -1 3 382.283 2.372 50 0 GEAAHM CN1CCN(c2nc([O-])c(CC(=O)Nc3ccc(F)c(Cl)c3)s2)CC1 ZINC000023994714 531600539 /nfs/dbraw/zinc/60/05/39/531600539.db2.gz BRBRNZROXVWERE-ZDUSSCGKSA-N -1 3 384.864 2.053 50 0 GEAAHM Cc1nn(C)c(C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000032903842 531657194 /nfs/dbraw/zinc/65/71/94/531657194.db2.gz RCYFWNHQKMXSDN-UHFFFAOYSA-N -1 3 382.873 2.383 50 0 GEAAHM CN(C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1cnccn1 ZINC000170619870 531884184 /nfs/dbraw/zinc/88/41/84/531884184.db2.gz DAKCEWBHMMTBOQ-UHFFFAOYSA-N -1 3 382.873 2.483 50 0 GEAAHM CN1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)CCC1=O ZINC000187135618 532343344 /nfs/dbraw/zinc/34/33/44/532343344.db2.gz NFKFESMAWGHJDG-CQSZACIVSA-N -1 3 386.901 2.418 50 0 GEAAHM CCOc1cc(C(=O)CCC(=O)OCC(=O)Nc2cc(C)on2)ccc1[O-] ZINC000003412744 204005099 /nfs/dbraw/zinc/00/50/99/204005099.db2.gz ASDPTNYAMBPQDT-UHFFFAOYSA-N -1 3 376.365 2.232 50 0 GEAAHM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccccc1I ZINC000003566110 204012689 /nfs/dbraw/zinc/01/26/89/204012689.db2.gz KCPUARCWUWTGIZ-UHFFFAOYSA-N -1 3 377.207 2.432 50 0 GEAAHM O=C(Cn1[n-]c(=O)c2ccccc2c1=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000007943134 204255414 /nfs/dbraw/zinc/25/54/14/204255414.db2.gz CMRHQSQFVKIFSG-UHFFFAOYSA-N -1 3 393.399 2.370 50 0 GEAAHM COc1ccccc1C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000009853619 204325891 /nfs/dbraw/zinc/32/58/91/204325891.db2.gz NRBFAIRUZHPGGG-UHFFFAOYSA-N -1 3 380.491 2.340 50 0 GEAAHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 ZINC000011858206 204358199 /nfs/dbraw/zinc/35/81/99/204358199.db2.gz DGMYBNPUGASUSH-ZDUSSCGKSA-N -1 3 394.474 2.108 50 0 GEAAHM Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000011904644 204360295 /nfs/dbraw/zinc/36/02/95/204360295.db2.gz BNRUEFVYCKUZFT-UHFFFAOYSA-N -1 3 398.437 2.001 50 0 GEAAHM O=C(CC[C@H]1NC(=O)[N-]C1=O)OCc1csc(-c2ccc(Cl)cc2)n1 ZINC000012792236 204450456 /nfs/dbraw/zinc/45/04/56/204450456.db2.gz ACNOQZYUADJWJE-GFCCVEGCSA-N -1 3 379.825 2.495 50 0 GEAAHM CS(=O)(=O)N1CCc2nc([N-]C(=O)c3nc4ccccc4s3)sc2C1 ZINC000077155350 205033916 /nfs/dbraw/zinc/03/39/16/205033916.db2.gz XNYHVKPTRQTNHT-UHFFFAOYSA-N -1 3 394.503 2.323 50 0 GEAAHM C[C@]1(c2cccc(NC(=O)c3cc4c(c(Cl)c3)OCO4)c2)NC(=O)[N-]C1=O ZINC000040111077 205052614 /nfs/dbraw/zinc/05/26/14/205052614.db2.gz MMMVYMBEICYFKS-GOSISDBHSA-N -1 3 387.779 2.376 50 0 GEAAHM COc1ccc2c(c1)[n-]cc(C(=O)NCc1ccc(-n3cccn3)nc1)c2=O ZINC000040145215 205058584 /nfs/dbraw/zinc/05/85/84/205058584.db2.gz NCXVSSMDLIRWOU-UHFFFAOYSA-N -1 3 375.388 2.047 50 0 GEAAHM COc1ccccc1-c1nc(NC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)n[n-]1 ZINC000048236758 205114932 /nfs/dbraw/zinc/11/49/32/205114932.db2.gz NGKOSGQQOLRGIP-UHFFFAOYSA-N -1 3 380.408 2.297 50 0 GEAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1CO ZINC000048302852 205118124 /nfs/dbraw/zinc/11/81/24/205118124.db2.gz XQIDTKMMEJZIPF-UHFFFAOYSA-N -1 3 376.434 2.263 50 0 GEAAHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]Cc2cccc(C)c2)c1 ZINC000048345786 205119174 /nfs/dbraw/zinc/11/91/74/205119174.db2.gz SVYFLDQRJXPSSG-UHFFFAOYSA-N -1 3 377.418 2.047 50 0 GEAAHM C[C@@H](C(=O)Nc1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)cc1)n1cncn1 ZINC000052641162 205132988 /nfs/dbraw/zinc/13/29/88/205132988.db2.gz VNRXHKKLKFESAA-NSHDSACASA-N -1 3 395.375 2.164 50 0 GEAAHM COc1ccccc1-c1nc(NC(=O)CCn2cnc3ccccc3c2=O)n[n-]1 ZINC000052778862 205135639 /nfs/dbraw/zinc/13/56/39/205135639.db2.gz CLXSRVSRCURDCD-UHFFFAOYSA-N -1 3 390.403 2.219 50 0 GEAAHM Cc1c([O-])ccc2c(COC(=O)c3ccccc3-n3cnnn3)cc(=O)oc12 ZINC000058017428 205163223 /nfs/dbraw/zinc/16/32/23/205163223.db2.gz ZWKFTVDSPHCVIT-UHFFFAOYSA-N -1 3 378.344 2.140 50 0 GEAAHM O=C1[N-]C(=O)[C@](c2cccnc2)(C2CCN(c3ncnc4sccc43)CC2)N1 ZINC000067642426 205251644 /nfs/dbraw/zinc/25/16/44/205251644.db2.gz WZSXGBZFCVENSB-LJQANCHMSA-N -1 3 394.460 2.038 50 0 GEAAHM Cc1cccc(C)c1Oc1ncccc1CNC(=O)Cc1cc(=O)[n-]c(N)n1 ZINC000067968043 205269337 /nfs/dbraw/zinc/26/93/37/205269337.db2.gz VGYXDTMEEZFIOY-UHFFFAOYSA-N -1 3 379.420 2.015 50 0 GEAAHM O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2cc(=O)[n-]c(=O)[nH]2)C1 ZINC000071736477 205288202 /nfs/dbraw/zinc/28/82/02/205288202.db2.gz YKANZIQTXIFJQE-LBPRGKRZSA-N -1 3 381.354 2.177 50 0 GEAAHM CN(C)c1ncnc2c1CCN(C(=O)c1c[n-]c3cc(Cl)ccc3c1=O)C2 ZINC000071760977 205293886 /nfs/dbraw/zinc/29/38/86/205293886.db2.gz DVLRUFPTGIPOAY-UHFFFAOYSA-N -1 3 383.839 2.236 50 0 GEAAHM CCOC(=O)C[C@H](c1cc2c(c(Cl)c1)OCO2)c1oc(CO)cc(=O)c1[O-] ZINC000071284863 205279504 /nfs/dbraw/zinc/27/95/04/205279504.db2.gz JAGAVIWXVMNUDW-LLVKDONJSA-N -1 3 396.779 2.305 50 0 GEAAHM CCN(Cc1ccncc1)[C@@H]1CCCN(C(=O)c2cnc(C(C)C)[n-]c2=O)C1 ZINC000072174124 205317663 /nfs/dbraw/zinc/31/76/63/205317663.db2.gz UKBILSOTQXGPFB-QGZVFWFLSA-N -1 3 383.496 2.415 50 0 GEAAHM CC(C)n1cnnc1C[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000079095508 205380851 /nfs/dbraw/zinc/38/08/51/205380851.db2.gz NJJLBPHJYCBFLV-UHFFFAOYSA-N -1 3 377.239 2.239 50 0 GEAAHM O=C([C@@H]1CCOc2ccccc2C1)N1CCc2c(=O)[n-]c(CC3CC3)nc2C1 ZINC000095511710 205481547 /nfs/dbraw/zinc/48/15/47/205481547.db2.gz VQEYJNCPQXKUFA-MRXNPFEDSA-N -1 3 379.460 2.249 50 0 GEAAHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@]3(CCOC3)C2)ccc1F ZINC000153665969 205798447 /nfs/dbraw/zinc/79/84/47/205798447.db2.gz JFURAXBZVZKXHR-GOSISDBHSA-N -1 3 384.473 2.155 50 0 GEAAHM Nc1cc(=O)[n-]c(CCNC(=O)c2ccc(OCc3ccccc3F)cc2)n1 ZINC000223587905 206002393 /nfs/dbraw/zinc/00/23/93/206002393.db2.gz XKDYTVLWHVQBGE-UHFFFAOYSA-N -1 3 382.395 2.455 50 0 GEAAHM O=C(N[C@H](Cn1c([O-])coc1=O)c1ccccc1)c1cccc(-n2cccn2)c1 ZINC000225637422 206062242 /nfs/dbraw/zinc/06/22/42/206062242.db2.gz LRFKTPFOJNMTFS-GOSISDBHSA-N -1 3 390.399 2.322 50 0 GEAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)Nc3ccc(C(N)=O)cc3)cc2O1 ZINC000032123865 206089290 /nfs/dbraw/zinc/08/92/90/206089290.db2.gz ZDFUQGRWLIOBRF-UHFFFAOYSA-N -1 3 384.388 2.252 50 0 GEAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1S(N)(=O)=O ZINC000032831456 206093056 /nfs/dbraw/zinc/09/30/56/206093056.db2.gz CTRDWDDWAUVBOV-UHFFFAOYSA-N -1 3 384.479 2.150 50 0 GEAAHM O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000252571829 206143433 /nfs/dbraw/zinc/14/34/33/206143433.db2.gz YOIKSIYLXBSRDV-GFCCVEGCSA-N -1 3 380.364 2.184 50 0 GEAAHM O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000252571829 206143439 /nfs/dbraw/zinc/14/34/39/206143439.db2.gz YOIKSIYLXBSRDV-GFCCVEGCSA-N -1 3 380.364 2.184 50 0 GEAAHM O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000252571829 206143440 /nfs/dbraw/zinc/14/34/40/206143440.db2.gz YOIKSIYLXBSRDV-GFCCVEGCSA-N -1 3 380.364 2.184 50 0 GEAAHM COCc1nc([C@H]2C[C@@H](NC(=O)Cn3c(C)nc4ccccc43)C2)cc(=O)[n-]1 ZINC000253535211 206149116 /nfs/dbraw/zinc/14/91/16/206149116.db2.gz HJBZDXNPGCRSFY-OKILXGFUSA-N -1 3 381.436 2.049 50 0 GEAAHM CCCCc1nc(C)sc1C(=O)N=c1cc(C)[n-]n1[C@@H]1CCS(=O)(=O)C1 ZINC000334159162 206195115 /nfs/dbraw/zinc/19/51/15/206195115.db2.gz JVWMLNGXFMUHEP-CYBMUJFWSA-N -1 3 396.538 2.333 50 0 GEAAHM COC(=O)c1csc(N2NC3=C(COc4ccccc43)[C@@]2([O-])C(F)(F)F)n1 ZINC000005275039 206216896 /nfs/dbraw/zinc/21/68/96/206216896.db2.gz HCNVRRYNDYLIDJ-RFAUZJTJSA-N -1 3 399.350 2.414 50 0 GEAAHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCC3)cc2)cc1 ZINC000000814003 570224922 /nfs/dbraw/zinc/22/49/22/570224922.db2.gz WMWCJCGJVOKQOF-UHFFFAOYSA-N -1 3 390.461 2.497 50 0 GEAAHM CN(C)C(=O)CN(C)Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[n-]2)cc1 ZINC000048428171 570250782 /nfs/dbraw/zinc/25/07/82/570250782.db2.gz JQHWKEPPLXTDSA-UHFFFAOYSA-N -1 3 377.448 2.019 50 0 GEAAHM Cn1cc(-c2nccnc2C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cn1 ZINC000575619645 570368142 /nfs/dbraw/zinc/36/81/42/570368142.db2.gz LGJXJHQLQMJFTN-UHFFFAOYSA-N -1 3 397.382 2.374 50 0 GEAAHM O=S(=O)([N-]C[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccccc1F ZINC000023977701 570376368 /nfs/dbraw/zinc/37/63/68/570376368.db2.gz OGQSIJLAHXIWMO-KRWDZBQOSA-N -1 3 382.432 2.317 50 0 GEAAHM CCOC([O-])=NC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(C)ccn1 ZINC000024197720 570380440 /nfs/dbraw/zinc/38/04/40/570380440.db2.gz ZFKQADVAERHBSW-UHFFFAOYSA-N -1 3 398.444 2.454 50 0 GEAAHM CCOC(=O)[N-]C(=O)CSc1nc2ccccc2c(=O)n1-c1cc(C)ccn1 ZINC000024197720 570380442 /nfs/dbraw/zinc/38/04/42/570380442.db2.gz ZFKQADVAERHBSW-UHFFFAOYSA-N -1 3 398.444 2.454 50 0 GEAAHM CC(C)Cc1nnc([N-]C(=O)c2ccc(CCNS(C)(=O)=O)s2)s1 ZINC000025445516 570413977 /nfs/dbraw/zinc/41/39/77/570413977.db2.gz FMODAWGRSJYXIO-UHFFFAOYSA-N -1 3 388.540 2.142 50 0 GEAAHM O=C([N-]c1ccc(N2CCOCC2)c2nonc21)c1nn2cccnc2c1Cl ZINC000002789820 570514848 /nfs/dbraw/zinc/51/48/48/570514848.db2.gz CCLSRDCRXQJTJV-UHFFFAOYSA-N -1 3 399.798 2.008 50 0 GEAAHM Cc1cccc(N2CCN(C(=N)[N-]S(=O)(=O)c3cccs3)CC2)c1C ZINC000032972409 570557852 /nfs/dbraw/zinc/55/78/52/570557852.db2.gz VGTWNJQPYRGFHW-UHFFFAOYSA-N -1 3 378.523 2.400 50 0 GEAAHM O=c1cc(CSc2ncccn2)nc(N2CCN(Cc3ccccc3)CC2)[n-]1 ZINC000054277961 570677223 /nfs/dbraw/zinc/67/72/23/570677223.db2.gz YZZYESKDBSLSIJ-UHFFFAOYSA-N -1 3 394.504 2.174 50 0 GEAAHM Nc1nc([O-])c([C@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)s1 ZINC000017878492 570717973 /nfs/dbraw/zinc/71/79/73/570717973.db2.gz ZESNDHYVMVOCKT-KDOFPFPSSA-N -1 3 387.848 2.031 50 0 GEAAHM Cc1noc(-c2ccc(C(=O)[N-]N3C(=O)N[C@](C)(c4ccccc4)C3=O)cc2)n1 ZINC000013001990 570741146 /nfs/dbraw/zinc/74/11/46/570741146.db2.gz AZYYBZWTIXQDQC-HXUWFJFHSA-N -1 3 391.387 2.157 50 0 GEAAHM COc1ccc(-c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccc(OC)nc2)C3)cc1 ZINC000065260291 570758573 /nfs/dbraw/zinc/75/85/73/570758573.db2.gz RAXKVVOKRBLUAI-UHFFFAOYSA-N -1 3 392.415 2.048 50 0 GEAAHM COc1ccc(OC[C@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000013669747 570770518 /nfs/dbraw/zinc/77/05/18/570770518.db2.gz BYLNCXDALRSJLF-ZDUSSCGKSA-N -1 3 378.450 2.264 50 0 GEAAHM CCOC(=O)Cc1csc(NC(=O)c2c[n-]c3c(F)cccc3c2=O)n1 ZINC000524734653 570771915 /nfs/dbraw/zinc/77/19/15/570771915.db2.gz YRJNCYZMCPKXQN-UHFFFAOYSA-N -1 3 375.381 2.482 50 0 GEAAHM CCOC(=O)Cc1csc(NC(=O)c2cnc3c(F)cccc3c2[O-])n1 ZINC000524734653 570771918 /nfs/dbraw/zinc/77/19/18/570771918.db2.gz YRJNCYZMCPKXQN-UHFFFAOYSA-N -1 3 375.381 2.482 50 0 GEAAHM COc1ccc(C2=NOC3=C([O-])N(c4ccc(F)cc4F)C(=O)[C@@H]23)c(OC)c1 ZINC000013724276 570781440 /nfs/dbraw/zinc/78/14/40/570781440.db2.gz RVPLCVHAXXLTGH-RDJZCZTQSA-N -1 3 388.326 2.275 50 0 GEAAHM CNC(=O)NC(=O)CCSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000032778775 570811676 /nfs/dbraw/zinc/81/16/76/570811676.db2.gz NILXTBRPRVLDMN-UHFFFAOYSA-N -1 3 392.462 2.324 50 0 GEAAHM COC(=O)c1ccccc1-n1c([O-])c2onc(-c3ccccc3Cl)c2c1O ZINC000101493674 570825097 /nfs/dbraw/zinc/82/50/97/570825097.db2.gz RJJXGHSBHAABBR-GDBMZVCRSA-N -1 3 384.775 2.419 50 0 GEAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)Nc1ccccc1N1CCCC1 ZINC000012536391 570836726 /nfs/dbraw/zinc/83/67/26/570836726.db2.gz UYTWIDKQPLJSTH-UHFFFAOYSA-N -1 3 378.432 2.319 50 0 GEAAHM CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCc2cncc([O-])c2)cc1 ZINC000170595739 570853474 /nfs/dbraw/zinc/85/34/74/570853474.db2.gz LCFWAGPEUQWVCU-UHFFFAOYSA-N -1 3 391.493 2.067 50 0 GEAAHM Cc1[nH]c(C(=O)OCC(=O)[N-]C(=O)c2cccs2)c(C)c1C(=O)OC(C)C ZINC000032876796 570876626 /nfs/dbraw/zinc/87/66/26/570876626.db2.gz BLJNZWSKIQBXMK-UHFFFAOYSA-N -1 3 392.433 2.372 50 0 GEAAHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCn3ccccc3=O)s2)cs1 ZINC000097016561 570886644 /nfs/dbraw/zinc/88/66/44/570886644.db2.gz SFAFGWQRKIBPDO-UHFFFAOYSA-N -1 3 381.504 2.320 50 0 GEAAHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000032906587 570905265 /nfs/dbraw/zinc/90/52/65/570905265.db2.gz IPDIRIUELYDFFW-IUAWCFDRSA-N -1 3 389.455 2.388 50 0 GEAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000016104331 570913649 /nfs/dbraw/zinc/91/36/49/570913649.db2.gz VIJVCYQYIVDBRF-UHFFFAOYSA-N -1 3 389.314 2.040 50 0 GEAAHM CC(C)n1cnc(S(=O)(=O)[N-]C[C@@](O)(c2ccccc2)C2CCOCC2)c1 ZINC000585147589 570977892 /nfs/dbraw/zinc/97/78/92/570977892.db2.gz UCVPROSXEGQQAJ-LJQANCHMSA-N -1 3 393.509 2.057 50 0 GEAAHM O=C(c1cnc(Nc2ccccc2)nc1)N1CCC[C@@H](c2cc(=O)[n-]cn2)C1 ZINC000091604429 571017680 /nfs/dbraw/zinc/01/76/80/571017680.db2.gz FZJXLVMBSLLHHB-CQSZACIVSA-N -1 3 376.420 2.323 50 0 GEAAHM Cc1cccc(NC(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)c1 ZINC000091663125 571024336 /nfs/dbraw/zinc/02/43/36/571024336.db2.gz IAECVIYSXZWPMV-MJGOQNOKSA-N -1 3 388.512 2.330 50 0 GEAAHM O=C(c1ccc([O-])cc1)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 ZINC000092019747 571041102 /nfs/dbraw/zinc/04/11/02/571041102.db2.gz PLGQSYGYWZLQEX-OAQYLSRUSA-N -1 3 382.464 2.203 50 0 GEAAHM Cc1cc(C)n(-c2ccccc2CN2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])n1 ZINC000095352685 571050621 /nfs/dbraw/zinc/05/06/21/571050621.db2.gz VPTQYXLSFCKSQR-KRWDZBQOSA-N -1 3 382.464 2.044 50 0 GEAAHM COc1cccc([C@@H](C(=O)[O-])N2CCC(C(=O)N3CCCC3)CC2)c1OC ZINC000095361290 571055568 /nfs/dbraw/zinc/05/55/68/571055568.db2.gz BXQAOSMXQMSCDP-KRWDZBQOSA-N -1 3 376.453 2.164 50 0 GEAAHM O=C(Cc1ccc([O-])c(F)c1)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccncc1)C2 ZINC000095381927 571068019 /nfs/dbraw/zinc/06/80/19/571068019.db2.gz QCUOCLOKPUQUAQ-DOTOQJQBSA-N -1 3 383.423 2.232 50 0 GEAAHM CN(C)CCNC(=O)CCC1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000095496940 571074524 /nfs/dbraw/zinc/07/45/24/571074524.db2.gz GXEYMMKXJQIDHL-UHFFFAOYSA-N -1 3 381.904 2.356 50 0 GEAAHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(F)cc1Cn1ccsc1=O)C1CC1 ZINC000888096573 654065523 /nfs/dbraw/zinc/06/55/23/654065523.db2.gz BAKZLOIIECXEPU-HNNXBMFYSA-N -1 3 386.470 2.264 50 0 GEAAHM Cc1nc2sc([C@@H](c3cccs3)N3CCC(C(N)=O)CC3)c([O-])n2n1 ZINC000004121049 531511704 /nfs/dbraw/zinc/51/17/04/531511704.db2.gz ACNJDBJKUXBUNY-GFCCVEGCSA-N -1 3 377.495 2.153 50 0 GEAAHM O=S(=O)([N-]Cc1ccc(N2CCOCC2)nc1)c1ccc(Cl)cc1F ZINC000012935453 531556067 /nfs/dbraw/zinc/55/60/67/531556067.db2.gz DYVCQKYCGBPVRE-UHFFFAOYSA-N -1 3 385.848 2.189 50 0 GEAAHM O=C(NCCc1ccccn1)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000021775372 531589103 /nfs/dbraw/zinc/58/91/03/531589103.db2.gz RATICDFGSFNWJD-UHFFFAOYSA-N -1 3 379.869 2.148 50 0 GEAAHM CCN1CCN([C@H](C)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000032594041 531653402 /nfs/dbraw/zinc/65/34/02/531653402.db2.gz PWXWTCQDMSVSOK-GFCCVEGCSA-N -1 3 380.341 2.298 50 0 GEAAHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000241124366 532518456 /nfs/dbraw/zinc/51/84/56/532518456.db2.gz JHQXTKKXNBNEMN-GRYCIOLGSA-N -1 3 384.274 2.187 50 0 GEAAHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004742546 204071967 /nfs/dbraw/zinc/07/19/67/204071967.db2.gz ZTUDKOGBTDMOAB-UHFFFAOYSA-N -1 3 377.441 2.160 50 0 GEAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1NC(C)=O ZINC000004742656 204072183 /nfs/dbraw/zinc/07/21/83/204072183.db2.gz VMJDIKJFZZLUIX-UHFFFAOYSA-N -1 3 377.422 2.413 50 0 GEAAHM C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)N(C)c2ccccc2)ccc1Cl ZINC000005878136 204156495 /nfs/dbraw/zinc/15/64/95/204156495.db2.gz LHKUZZLQKVOUHN-UHFFFAOYSA-N -1 3 396.852 2.068 50 0 GEAAHM CN(C)S(=O)(=O)c1ccc(-c2nnc([N-]C(=O)c3cccs3)o2)cc1 ZINC000035590042 204265233 /nfs/dbraw/zinc/26/52/33/204265233.db2.gz QTGKDLXKWOKNQP-UHFFFAOYSA-N -1 3 378.435 2.301 50 0 GEAAHM NC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000009515900 204313856 /nfs/dbraw/zinc/31/38/56/204313856.db2.gz XUMCWUJOTWZQLS-LLVKDONJSA-N -1 3 375.269 2.016 50 0 GEAAHM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1cc(Cl)ccc1F ZINC000009734818 204322450 /nfs/dbraw/zinc/32/24/50/204322450.db2.gz SFAKQMDVEPBEEG-UHFFFAOYSA-N -1 3 394.834 2.279 50 0 GEAAHM CN(C)c1ccc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000011450656 204346537 /nfs/dbraw/zinc/34/65/37/204346537.db2.gz XPVDUWGOWSXAFL-UHFFFAOYSA-N -1 3 393.534 2.397 50 0 GEAAHM Cc1cccc(OCC(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1 ZINC000011450704 204346888 /nfs/dbraw/zinc/34/68/88/204346888.db2.gz SEQKQKJZPSJCLQ-UHFFFAOYSA-N -1 3 394.518 2.405 50 0 GEAAHM O=C(C=C1SC(=O)[N-]C1=O)N1CCC[C@@H]2CN(Cc3cccs3)CC[C@H]21 ZINC000012190091 204380533 /nfs/dbraw/zinc/38/05/33/204380533.db2.gz YAUBDXPVHONERK-NGVDKPIASA-N -1 3 391.518 2.428 50 0 GEAAHM COc1ccc(F)cc1S(=O)(=O)[N-]CCc1nc(C)cc(C(F)(F)F)n1 ZINC000077101117 205032173 /nfs/dbraw/zinc/03/21/73/205032173.db2.gz TYYDCCFXWPUQGJ-UHFFFAOYSA-N -1 3 393.362 2.473 50 0 GEAAHM C[C@](O)(C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc2c(c1)OCO2 ZINC000077184577 205033664 /nfs/dbraw/zinc/03/36/64/205033664.db2.gz OADZWJWQRQQYCZ-AWEZNQCLSA-N -1 3 375.855 2.316 50 0 GEAAHM Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000040111180 205054024 /nfs/dbraw/zinc/05/40/24/205054024.db2.gz JLYCWZJZPKHYCD-OAQYLSRUSA-N -1 3 397.479 2.392 50 0 GEAAHM CC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]C(C)(C)C)cc21 ZINC000040454517 205065852 /nfs/dbraw/zinc/06/58/52/205065852.db2.gz AFBNHBRZVIBBGU-UHFFFAOYSA-N -1 3 375.288 2.435 50 0 GEAAHM CN(C(=O)CSc1nc2c(nc[n-]c2=O)n1C[C@@H]1CCCO1)c1ccccc1 ZINC000046031466 205102156 /nfs/dbraw/zinc/10/21/56/205102156.db2.gz NNLRKGBEQCRCIX-AWEZNQCLSA-N -1 3 399.476 2.054 50 0 GEAAHM Cn1nc(-c2csc(S(=O)(=O)[N-]Cc3ccc(F)cc3)c2)ccc1=O ZINC000065128931 205212090 /nfs/dbraw/zinc/21/20/90/205212090.db2.gz YUKVAMRRBWSZTK-UHFFFAOYSA-N -1 3 379.438 2.126 50 0 GEAAHM COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)Cc3ccccc3F)C2=O)cc1 ZINC000065229233 205221381 /nfs/dbraw/zinc/22/13/81/205221381.db2.gz LMOYVRSLJWVERW-QGZVFWFLSA-N -1 3 378.425 2.059 50 0 GEAAHM O=C([O-])c1c2c(sc1S(=O)(=O)N1CC[C@@H]3CCCC[C@@H]3C1)CNCC2 ZINC000067833776 205263172 /nfs/dbraw/zinc/26/31/72/205263172.db2.gz RULRKOSPCOYOSA-NWDGAFQWSA-N -1 3 384.523 2.293 50 0 GEAAHM O=c1[n-]c(-c2ccccc2)nc2c1CCN(S(=O)(=O)Cc1ccccc1)C2 ZINC000071757145 205293317 /nfs/dbraw/zinc/29/33/17/205293317.db2.gz WCGYVZIEBPGMCU-UHFFFAOYSA-N -1 3 381.457 2.325 50 0 GEAAHM Cc1cc(C)n(-c2nc(CC[N-]S(=O)(=O)c3c(C)noc3C)cs2)n1 ZINC000090609381 205274976 /nfs/dbraw/zinc/27/49/76/205274976.db2.gz GMPAUJCFLIBZND-UHFFFAOYSA-N -1 3 381.483 2.071 50 0 GEAAHM CC(=O)N1CCC2(C[C@@H](C(=O)[O-])N(Cc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000072426621 205348871 /nfs/dbraw/zinc/34/88/71/205348871.db2.gz LKCANYPBSNMXGW-IBGZPJMESA-N -1 3 382.464 2.160 50 0 GEAAHM Cc1nn(-c2ccccc2)c(C)c1CN1CCC2(CC1)NC(=O)C[C@@H]2C(=O)[O-] ZINC000095386496 205452409 /nfs/dbraw/zinc/45/24/09/205452409.db2.gz YIKHOQSAVPRVQU-GOSISDBHSA-N -1 3 382.464 2.044 50 0 GEAAHM COCC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1c1ccsc1 ZINC000225516773 206053799 /nfs/dbraw/zinc/05/37/99/206053799.db2.gz ZDTCXCKOUWUJQM-MRXNPFEDSA-N -1 3 393.490 2.444 50 0 GEAAHM COC(=O)C[C@H](c1ccc(OC)c(OC)c1OC)c1oc(C)cc(=O)c1[O-] ZINC000096114941 206118065 /nfs/dbraw/zinc/11/80/65/206118065.db2.gz SIGNJMBXWSCARO-GFCCVEGCSA-N -1 3 378.377 2.375 50 0 GEAAHM COCCN1C[C@@H](Cc2ccc(-c3ccnc(C)c3-c3nnn[n-]3)cc2)CC1=O ZINC000244647092 206129806 /nfs/dbraw/zinc/12/98/06/206129806.db2.gz GUXWCQDRDWKJAE-INIZCTEOSA-N -1 3 392.463 2.275 50 0 GEAAHM COCCN1C[C@@H](Cc2ccc(-c3ccnc(C)c3-c3nn[n-]n3)cc2)CC1=O ZINC000244647092 206129813 /nfs/dbraw/zinc/12/98/13/206129813.db2.gz GUXWCQDRDWKJAE-INIZCTEOSA-N -1 3 392.463 2.275 50 0 GEAAHM O=C(c1cccc(-c2cc(=O)[n-]cn2)c1)N1CCCN(C(=O)C2CCC2)CC1 ZINC000299757360 206184956 /nfs/dbraw/zinc/18/49/56/206184956.db2.gz MMWPTMCABIFBNY-UHFFFAOYSA-N -1 3 380.448 2.324 50 0 GEAAHM NC(=O)c1ccc(-c2nc3c(c(=O)[n-]2)CCN(c2ncccc2Cl)C3)cc1 ZINC000071764774 136166386 /nfs/dbraw/zinc/16/63/86/136166386.db2.gz WKWUDHNBIWOQAD-UHFFFAOYSA-N -1 3 381.823 2.147 50 0 GEAAHM O=c1cc([C@H]2CCOC2)nc(-c2ccc(CN3CCc4n[nH]cc4C3)cc2)[n-]1 ZINC000023153472 527484325 /nfs/dbraw/zinc/48/43/25/527484325.db2.gz OOVPJGIICHYMPA-INIZCTEOSA-N -1 3 377.448 2.222 50 0 GEAAHM CCC[C@@H](NC(=O)c1cccc(-c2ccc(-c3nnn[n-]3)cc2)c1)C(=O)NC ZINC000426673996 528992954 /nfs/dbraw/zinc/99/29/54/528992954.db2.gz GMEZTXFBCFWESC-QGZVFWFLSA-N -1 3 378.436 2.178 50 0 GEAAHM CCC[C@@H](NC(=O)c1cccc(-c2ccc(-c3nn[n-]n3)cc2)c1)C(=O)NC ZINC000426673996 528992956 /nfs/dbraw/zinc/99/29/56/528992956.db2.gz GMEZTXFBCFWESC-QGZVFWFLSA-N -1 3 378.436 2.178 50 0 GEAAHM Cn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2c1nc[n-]c2=O ZINC000012427864 560212054 /nfs/dbraw/zinc/21/20/54/560212054.db2.gz KXCHENNUMCVPIX-UHFFFAOYSA-N -1 3 383.355 2.406 50 0 biogenic,in-vitro GEAAHM Cc1ccc([O-])c(C(=O)N2CCC(c3nnc(Cn4cccn4)n3C)CC2)c1 ZINC000096151297 570215479 /nfs/dbraw/zinc/21/54/79/570215479.db2.gz RZBJUBUFRGVLGW-UHFFFAOYSA-N -1 3 380.452 2.094 50 0 GEAAHM O=S(=O)([N-]CCNc1ccc(Nc2ccncc2)nn1)c1cccs1 ZINC000011697902 570226295 /nfs/dbraw/zinc/22/62/95/570226295.db2.gz FHIYQBFRQXJXGG-UHFFFAOYSA-N -1 3 376.467 2.067 50 0 GEAAHM C[C@@H]1Oc2ccc([N-]S(=O)(=O)c3ccc4oc(=O)ccc4c3)cc2NC1=O ZINC000022903602 570333328 /nfs/dbraw/zinc/33/33/28/570333328.db2.gz BWBVCHARJPXWKS-JTQLQIEISA-N -1 3 386.385 2.313 50 0 GEAAHM O=S(=O)([N-]C[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccccc1F ZINC000023977698 570376373 /nfs/dbraw/zinc/37/63/73/570376373.db2.gz OGQSIJLAHXIWMO-QGZVFWFLSA-N -1 3 382.432 2.317 50 0 GEAAHM COCc1nnc([N-]C(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)o1 ZINC000002720196 570508154 /nfs/dbraw/zinc/50/81/54/570508154.db2.gz FKQRMUGJSUTGSF-LBPRGKRZSA-N -1 3 394.453 2.031 50 0 GEAAHM Cc1nc(C(=O)N2CCC[C@H](C[N-]S(=O)(=O)c3cccs3)C2)cs1 ZINC000012385798 570615205 /nfs/dbraw/zinc/61/52/05/570615205.db2.gz OERRFYAVFPQESA-GFCCVEGCSA-N -1 3 385.536 2.344 50 0 GEAAHM C[C@@H](NC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)c1ccc2c(c1)CCCC2 ZINC000015092317 570736130 /nfs/dbraw/zinc/73/61/30/570736130.db2.gz DJIUAEWQWMZYKW-CQSZACIVSA-N -1 3 377.444 2.446 50 0 GEAAHM Cc1nn(C)c(C)c1CC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000033060080 570746501 /nfs/dbraw/zinc/74/65/01/570746501.db2.gz RTHIRRMZUCPUDI-UHFFFAOYSA-N -1 3 378.317 2.382 50 0 GEAAHM COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1ccccc1OC(F)F ZINC000032747185 570793156 /nfs/dbraw/zinc/79/31/56/570793156.db2.gz TXQAHTGGDTUPTA-UHFFFAOYSA-N -1 3 399.375 2.197 50 0 GEAAHM O=S(=O)([N-]Cc1nnc2ccc(-c3cccs3)nn21)c1cccs1 ZINC000238918098 570813043 /nfs/dbraw/zinc/81/30/43/570813043.db2.gz SSQHHSYQKACSGF-UHFFFAOYSA-N -1 3 377.476 2.393 50 0 GEAAHM C[C@@]1(c2ccco2)NC(=O)N([N-]C(=O)c2cccc(Br)c2)C1=O ZINC000014093114 570821994 /nfs/dbraw/zinc/82/19/94/570821994.db2.gz UCFXIYVWPINNCI-HNNXBMFYSA-N -1 3 378.182 2.154 50 0 GEAAHM O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000014168394 570826136 /nfs/dbraw/zinc/82/61/36/570826136.db2.gz PYDWATCZDPMZML-UHFFFAOYSA-N -1 3 376.420 2.358 50 0 GEAAHM O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000014168394 570826139 /nfs/dbraw/zinc/82/61/39/570826139.db2.gz PYDWATCZDPMZML-UHFFFAOYSA-N -1 3 376.420 2.358 50 0 GEAAHM Cc1ccccc1OCCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000032821135 570842007 /nfs/dbraw/zinc/84/20/07/570842007.db2.gz YEPKGFIHTQDIRP-HNNXBMFYSA-N -1 3 394.468 2.338 50 0 GEAAHM [O-]C(c1ccccc1)=C1[C@H](c2cccnc2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000170591593 570849367 /nfs/dbraw/zinc/84/93/67/570849367.db2.gz LKOSKKKYWCAGOJ-XEZPLFJOSA-N -1 3 381.379 2.350 50 0 GEAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CN3CCOCC3)cc2)cc1 ZINC000014849636 570862696 /nfs/dbraw/zinc/86/26/96/570862696.db2.gz DCRGNKJWWSFLQM-UHFFFAOYSA-N -1 3 389.477 2.067 50 0 GEAAHM C[C@H](OC(=O)c1cccc([N-]S(C)(=O)=O)c1)C(=O)N1CCc2ccccc21 ZINC000015279138 570886417 /nfs/dbraw/zinc/88/64/17/570886417.db2.gz QRGMKXRFMQJMEA-ZDUSSCGKSA-N -1 3 388.445 2.193 50 0 GEAAHM COc1cccc([C@H]2[C@@H](S(=O)(=O)[N-]Cc3cccc(C)c3)CON2C)c1 ZINC000105050084 570913817 /nfs/dbraw/zinc/91/38/17/570913817.db2.gz MJVXRGVBIOLRQX-OALUTQOASA-N -1 3 376.478 2.410 50 0 GEAAHM CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)OCc1ncc(-c2ccc(F)cc2)o1 ZINC000089942195 570920130 /nfs/dbraw/zinc/92/01/30/570920130.db2.gz YUOBEVNMUCAEDS-ZBEGNZNMSA-N -1 3 384.429 2.488 50 0 GEAAHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000001288671 570954813 /nfs/dbraw/zinc/95/48/13/570954813.db2.gz XHYPQEOTYKNCKN-UHFFFAOYSA-N -1 3 393.440 2.422 50 0 GEAAHM CN(C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000091390650 571006071 /nfs/dbraw/zinc/00/60/71/571006071.db2.gz NLHXEOZGOZUGNJ-MJGOQNOKSA-N -1 3 388.512 2.046 50 0 GEAAHM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1ccc(F)cc1Cl ZINC000012763028 571013710 /nfs/dbraw/zinc/01/37/10/571013710.db2.gz BGOOWWXYQOUCMN-UHFFFAOYSA-N -1 3 394.834 2.279 50 0 GEAAHM O=C(COc1ccc2c(c1)CCC2)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000084387888 571016435 /nfs/dbraw/zinc/01/64/35/571016435.db2.gz IEPFEBPEEWISEI-UHFFFAOYSA-N -1 3 380.444 2.244 50 0 GEAAHM O=C(c1ccccc1[O-])N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 ZINC000091657242 571023617 /nfs/dbraw/zinc/02/36/17/571023617.db2.gz XVFBOIBQTNKLEI-UHFFFAOYSA-N -1 3 380.448 2.042 50 0 GEAAHM O=C(c1ccccc1[O-])N1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CC1 ZINC000091657242 571023619 /nfs/dbraw/zinc/02/36/19/571023619.db2.gz XVFBOIBQTNKLEI-UHFFFAOYSA-N -1 3 380.448 2.042 50 0 GEAAHM O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)[N-]C1=NCCS1 ZINC000007735191 571027357 /nfs/dbraw/zinc/02/73/57/571027357.db2.gz LYOTXXCWDDHUJW-UHFFFAOYSA-N -1 3 395.550 2.403 50 0 GEAAHM O=C(c1c[nH]c(=O)[n-]c1=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000091872314 571034285 /nfs/dbraw/zinc/03/42/85/571034285.db2.gz LBMHWEFBXCROAC-UHFFFAOYSA-N -1 3 375.428 2.286 50 0 GEAAHM O=C(NC[C@@H]1CCOC1)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O ZINC000091942992 571037027 /nfs/dbraw/zinc/03/70/27/571037027.db2.gz ZZLLKAGSBIJSHW-JTQLQIEISA-N -1 3 382.247 2.434 50 0 GEAAHM O=C(Cc1c[nH]c(=O)[n-]c1=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000095497787 571074929 /nfs/dbraw/zinc/07/49/29/571074929.db2.gz CNWCRQOXAMTHOW-UHFFFAOYSA-N -1 3 389.455 2.214 50 0 GEAAHM Cc1ncc(C(=O)N(C)C[C@@H]2CCCN(CCc3ccccc3F)C2)c(=O)[n-]1 ZINC000095511967 571082565 /nfs/dbraw/zinc/08/25/65/571082565.db2.gz SSQZSQGYIRAFLO-INIZCTEOSA-N -1 3 386.471 2.244 50 0 GEAAHM CCOC([O-])=NC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O ZINC000095929295 571095170 /nfs/dbraw/zinc/09/51/70/571095170.db2.gz NKUUPFQYKSPPAY-QGZVFWFLSA-N -1 3 380.404 2.282 50 0 GEAAHM CCOC(=O)N=C([O-])N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O ZINC000095929295 571095173 /nfs/dbraw/zinc/09/51/73/571095173.db2.gz NKUUPFQYKSPPAY-QGZVFWFLSA-N -1 3 380.404 2.282 50 0 GEAAHM CCOC(=O)[N-]C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O ZINC000095929295 571095178 /nfs/dbraw/zinc/09/51/78/571095178.db2.gz NKUUPFQYKSPPAY-QGZVFWFLSA-N -1 3 380.404 2.282 50 0 GEAAHM Cc1cccc(CN(C[C@@H]2CCCO2)C(=O)NCCc2nc(N)cc(=O)[n-]2)c1 ZINC000426548364 231239279 /nfs/dbraw/zinc/23/92/79/231239279.db2.gz ARYLGZIXTDVNMI-INIZCTEOSA-N -1 3 385.468 2.006 50 0 GEAAHM Cc1ccc(OCCN(C)C(=O)c2cc(C)nc3c2c(=O)[n-]c(=O)n3C)c(C)c1 ZINC000426689074 231252905 /nfs/dbraw/zinc/25/29/05/231252905.db2.gz CCFNZYPZRLDAPW-UHFFFAOYSA-N -1 3 396.447 2.110 50 0 GEAAHM O=C(CSc1nnc([N-]C(=O)c2cccs2)s1)NC[C@@H]1CCCO1 ZINC000004328667 531513599 /nfs/dbraw/zinc/51/35/99/531513599.db2.gz MUQHXISAJVXACJ-VIFPVBQESA-N -1 3 384.508 2.239 50 0 GEAAHM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3cccs3)o2)cc1 ZINC000002456886 531504045 /nfs/dbraw/zinc/50/40/45/531504045.db2.gz NBCUTWCWASOPET-UHFFFAOYSA-N -1 3 378.435 2.301 50 0 GEAAHM Cc1cc([N-]C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)on1 ZINC000013596915 531561020 /nfs/dbraw/zinc/56/10/20/531561020.db2.gz HPPPKODJGQZTLI-SECBINFHSA-N -1 3 375.859 2.490 50 0 GEAAHM O=C(C[N-]S(=O)(=O)Cc1ccccc1)OCc1nc2ccccc2s1 ZINC000024270512 531603065 /nfs/dbraw/zinc/60/30/65/531603065.db2.gz PJRNYVGCHVFDPK-UHFFFAOYSA-N -1 3 376.459 2.459 50 0 GEAAHM CN(C(=O)C[S@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1)C1CCCCC1 ZINC000155273781 531669700 /nfs/dbraw/zinc/66/97/00/531669700.db2.gz UWBUCFYQRDUIBK-VWLOTQADSA-N -1 3 379.404 2.241 50 0 GEAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCN(c2ccccc2)C1=O ZINC000096396145 531933992 /nfs/dbraw/zinc/93/39/92/531933992.db2.gz QVGWGSWJAJQRGN-AWEZNQCLSA-N -1 3 380.853 2.432 50 0 GEAAHM CN(CC(=O)[O-])C[C@@H]1CN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CCO1 ZINC000263085207 532613406 /nfs/dbraw/zinc/61/34/06/532613406.db2.gz RSBXBMHOVAGLJB-SNVBAGLBSA-N -1 3 394.230 2.382 50 0 GEAAHM CCOC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1ccc(F)c(F)c1 ZINC000005251676 204122501 /nfs/dbraw/zinc/12/25/01/204122501.db2.gz KHJSWKCOKFAJPY-UHFFFAOYSA-N -1 3 383.376 2.264 50 0 GEAAHM COc1cc(C(=O)[N-]N2C(=O)NC3(CCC(C)CC3)C2=O)ccc1OC(F)F ZINC000006553538 204183442 /nfs/dbraw/zinc/18/34/42/204183442.db2.gz ZQQQFRZVQRRIFR-UHFFFAOYSA-N -1 3 397.378 2.442 50 0 GEAAHM COc1ccc([N-]S(=O)(=O)c2ccc3oc(=O)c4ncn(C)c4c3c2)cc1 ZINC000006733194 204196759 /nfs/dbraw/zinc/19/67/59/204196759.db2.gz IWZBTOHAZYJJMB-UHFFFAOYSA-N -1 3 385.401 2.489 50 0 GEAAHM COc1ccc(OC)c(S(=O)(=O)[N-]N=c2ccc(C(F)(F)F)c[nH]2)c1 ZINC000007410041 204241084 /nfs/dbraw/zinc/24/10/84/204241084.db2.gz GDGGWXMUPGOXQD-UHFFFAOYSA-N -1 3 377.344 2.423 50 0 GEAAHM COc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCOCC1 ZINC000008560602 204279882 /nfs/dbraw/zinc/27/98/82/204279882.db2.gz CSVPLQRNSVAKNK-UHFFFAOYSA-N -1 3 394.424 2.108 50 0 GEAAHM O=C([N-]OCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000008097099 204261382 /nfs/dbraw/zinc/26/13/82/204261382.db2.gz IMVWNFRFLAHQKX-MRXNPFEDSA-N -1 3 392.452 2.474 50 0 GEAAHM CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000009453807 204311740 /nfs/dbraw/zinc/31/17/40/204311740.db2.gz UGOAYNXRFFNIJL-UHFFFAOYSA-N -1 3 377.813 2.176 50 0 GEAAHM CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000009453807 204311741 /nfs/dbraw/zinc/31/17/41/204311741.db2.gz UGOAYNXRFFNIJL-UHFFFAOYSA-N -1 3 377.813 2.176 50 0 GEAAHM NC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000009515898 204313686 /nfs/dbraw/zinc/31/36/86/204313686.db2.gz XUMCWUJOTWZQLS-NSHDSACASA-N -1 3 375.269 2.016 50 0 GEAAHM Cc1cc(NC(=O)CSc2nc3c(cnn3-c3cccc(C)c3)c(=O)[n-]2)no1 ZINC000009522475 204314029 /nfs/dbraw/zinc/31/40/29/204314029.db2.gz AVGHKRREZBUOEN-UHFFFAOYSA-N -1 3 396.432 2.444 50 0 GEAAHM Cc1ccc(-n2nnnc2C[N-]S(=O)(=O)c2cccc(Cl)c2)cc1C ZINC000009571102 204315938 /nfs/dbraw/zinc/31/59/38/204315938.db2.gz ZMRJNBCSBIPPHY-UHFFFAOYSA-N -1 3 377.857 2.411 50 0 GEAAHM O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)[N-]C1=NCCS1 ZINC000009536425 204315954 /nfs/dbraw/zinc/31/59/54/204315954.db2.gz FJHZDNZABWLNMP-UHFFFAOYSA-N -1 3 388.449 2.483 50 0 GEAAHM Cc1cccc([N-]S(=O)(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)c1 ZINC000011858174 204356887 /nfs/dbraw/zinc/35/68/87/204356887.db2.gz BFTUOTTXHJOBOW-ZDUSSCGKSA-N -1 3 394.474 2.108 50 0 GEAAHM Cc1ccnc(SCc2cc(=O)[n-]c(N3CCN(c4ccccc4)CC3)n2)n1 ZINC000012324973 204397325 /nfs/dbraw/zinc/39/73/25/204397325.db2.gz XTIVUJODDKMABL-UHFFFAOYSA-N -1 3 394.504 2.487 50 0 GEAAHM CCCOC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000036772526 205022064 /nfs/dbraw/zinc/02/20/64/205022064.db2.gz YXQODRCDKKFDSF-NSHDSACASA-N -1 3 389.524 2.045 50 0 GEAAHM CC[C@H](CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(C)noc1C)c1ccccc1 ZINC000039995607 205046020 /nfs/dbraw/zinc/04/60/20/205046020.db2.gz QTLZJBDHSAXIKH-UKRRQHHQSA-N -1 3 379.482 2.268 50 0 GEAAHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccc(-n2cccn2)cc1 ZINC000040105334 205052503 /nfs/dbraw/zinc/05/25/03/205052503.db2.gz DYGWJMAEISXSRD-UHFFFAOYSA-N -1 3 377.447 2.199 50 0 GEAAHM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2nnc3n2CCCCC3)cc1OC ZINC000040105090 205052764 /nfs/dbraw/zinc/05/27/64/205052764.db2.gz JWJSGTLWADUSMM-LLVKDONJSA-N -1 3 398.460 2.200 50 0 GEAAHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NC[C@H]2CCOC2)CC1 ZINC000047068049 205108358 /nfs/dbraw/zinc/10/83/58/205108358.db2.gz BADOGDZYIUZTRT-GFCCVEGCSA-N -1 3 381.860 2.442 50 0 GEAAHM CO[C@@H]1CCCN(Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[n-]3)cc2)C1 ZINC000048115569 205113275 /nfs/dbraw/zinc/11/32/75/205113275.db2.gz VUHGLSBMGTWENV-HXUWFJFHSA-N -1 3 393.491 2.487 50 0 GEAAHM C[C@H]1C(=O)N(C)CCN1Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[n-]2)cc1 ZINC000048155871 205114435 /nfs/dbraw/zinc/11/44/35/205114435.db2.gz NJPGXYRUQSSVAG-HNNXBMFYSA-N -1 3 389.459 2.161 50 0 GEAAHM CC1CCN(C(=O)CSc2nc3c(nc[n-]c3=O)n2-c2ccccc2)CC1 ZINC000085703974 205128616 /nfs/dbraw/zinc/12/86/16/205128616.db2.gz NFUGFNDECRGWMP-UHFFFAOYSA-N -1 3 383.477 2.459 50 0 GEAAHM CCN1CCC[C@@H]1Cn1c2ccc(C(=O)[O-])cc2n(Cc2cscn2)c1=O ZINC000055270347 205144629 /nfs/dbraw/zinc/14/46/29/205144629.db2.gz OKWYFHUKENDJHX-OAHLLOKOSA-N -1 3 386.477 2.490 50 0 GEAAHM CC(C)Cn1nc(C(=O)[O-])c2c1CCN(C(=O)[C@@H](C)N1CCC(C)CC1)C2 ZINC000067723361 205256721 /nfs/dbraw/zinc/25/67/21/205256721.db2.gz VEAJERIJLCMKKK-OAHLLOKOSA-N -1 3 376.501 2.242 50 0 GEAAHM COC(=O)N=c1[n-]c2c(s1)CN(CC(=O)NCc1ccc(F)cc1)CC2 ZINC000090582560 205273544 /nfs/dbraw/zinc/27/35/44/205273544.db2.gz WNWWOQMTNRGFIV-UHFFFAOYSA-N -1 3 378.429 2.135 50 0 GEAAHM Cc1c(F)cccc1CN1C[C@@H](C(=O)[O-])C[C@H](C(=O)NCc2ccccn2)C1 ZINC000071762457 205294676 /nfs/dbraw/zinc/29/46/76/205294676.db2.gz JYPRCNSTKFLYEC-IRXDYDNUSA-N -1 3 385.439 2.368 50 0 GEAAHM COc1ccc([C@@H]2CN(C(=O)c3ccc([O-])cn3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000071776634 205296901 /nfs/dbraw/zinc/29/69/01/205296901.db2.gz ATXIEPBGHCTZQW-CEWLAPEOSA-N -1 3 379.460 2.498 50 0 GEAAHM Cc1ccc(C)c(Oc2ccc(CNC(=O)CC[C@H]3NC(=O)[N-]C3=O)cn2)c1 ZINC000069951981 205278480 /nfs/dbraw/zinc/27/84/80/205278480.db2.gz CNBVDKJTKCREAO-OAHLLOKOSA-N -1 3 382.420 2.095 50 0 GEAAHM Cc1ccc(C)c(Oc2ccc(CNC(=O)CC[C@@H]3NC(=O)[N-]C3=O)cn2)c1 ZINC000069951982 205278749 /nfs/dbraw/zinc/27/87/49/205278749.db2.gz CNBVDKJTKCREAO-HNNXBMFYSA-N -1 3 382.420 2.095 50 0 GEAAHM CCn1cnc(S(=O)(=O)[N-]C2CCN(Cc3ccc(F)c(F)c3)CC2)c1 ZINC000072310246 205323276 /nfs/dbraw/zinc/32/32/76/205323276.db2.gz IHZMHNJAUVCHMZ-UHFFFAOYSA-N -1 3 384.452 2.124 50 0 GEAAHM CN(Cc1nc(-c2ccccn2)no1)C(=O)c1c[n-]c2c(F)cccc2c1=O ZINC000077505995 205364510 /nfs/dbraw/zinc/36/45/10/205364510.db2.gz RYNRBUAFHSLEFO-UHFFFAOYSA-N -1 3 379.351 2.384 50 0 GEAAHM CN1CCN([C@H]2CCN(C(=O)c3ccc4cc[nH]c4c3)C[C@H]2CCC(=O)[O-])CC1 ZINC000091548695 205417361 /nfs/dbraw/zinc/41/73/61/205417361.db2.gz FJOIFGSWZSFELD-QUCCMNQESA-N -1 3 398.507 2.111 50 0 GEAAHM COC(=O)c1ccc(NC(=O)COC(=O)c2nn[n-]c2-c2ccccc2)cc1 ZINC000225518203 206052670 /nfs/dbraw/zinc/05/26/70/206052670.db2.gz SDUKGEBAASHMEP-UHFFFAOYSA-N -1 3 380.360 2.054 50 0 GEAAHM COC(=O)c1ccc(NC(=O)COC(=O)c2[n-]nnc2-c2ccccc2)cc1 ZINC000225518203 206052676 /nfs/dbraw/zinc/05/26/76/206052676.db2.gz SDUKGEBAASHMEP-UHFFFAOYSA-N -1 3 380.360 2.054 50 0 GEAAHM COC(=O)c1ccc(NC(=O)COC(=O)c2n[n-]nc2-c2ccccc2)cc1 ZINC000225518203 206052680 /nfs/dbraw/zinc/05/26/80/206052680.db2.gz SDUKGEBAASHMEP-UHFFFAOYSA-N -1 3 380.360 2.054 50 0 GEAAHM COC(=O)c1sccc1S(=O)(=O)[N-]CCn1ccc(-c2cccs2)n1 ZINC000096103874 206116686 /nfs/dbraw/zinc/11/66/86/206116686.db2.gz SEMFSYJVKGEIPK-UHFFFAOYSA-N -1 3 397.503 2.438 50 0 GEAAHM O=C([O-])c1sccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2cc(=O)[n-]cn2)C1 ZINC000243957092 206129508 /nfs/dbraw/zinc/12/95/08/206129508.db2.gz CFMYQBKQQOJWBX-LLVKDONJSA-N -1 3 376.438 2.150 50 0 GEAAHM O=C([O-])c1sccc1NC(=O)CC[N@H+]1CCC[C@@H](c2cc(=O)[n-]cn2)C1 ZINC000243957092 206129513 /nfs/dbraw/zinc/12/95/13/206129513.db2.gz CFMYQBKQQOJWBX-LLVKDONJSA-N -1 3 376.438 2.150 50 0 GEAAHM CN(C)c1nc([C@H]2C[C@@H](NC(=O)CCn3cnc4ccccc43)C2)cc(=O)[n-]1 ZINC000253535517 206148882 /nfs/dbraw/zinc/14/88/82/206148882.db2.gz YPDAUVCOEDBJSO-OKILXGFUSA-N -1 3 380.452 2.050 50 0 GEAAHM COc1cccc(CN2CC[C@@H](N3CCOCC3)[C@@H](CCC(=O)[O-])C2)c1OC ZINC000299798082 206191581 /nfs/dbraw/zinc/19/15/81/206191581.db2.gz PCLGGCMCPZXREU-FUHWJXTLSA-N -1 3 392.496 2.091 50 0 GEAAHM Cc1nc(C2CCN(C(=O)c3ccccc3[O-])CC2)cc(N2CCOCC2)n1 ZINC000072426905 136170122 /nfs/dbraw/zinc/17/01/22/136170122.db2.gz QZETWXKLBHZFRQ-UHFFFAOYSA-N -1 3 382.464 2.347 50 0 GEAAHM CCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccc(OC)cc1)C3 ZINC000019821181 570222907 /nfs/dbraw/zinc/22/29/07/570222907.db2.gz KHHMAMSCHURLCN-CYBMUJFWSA-N -1 3 379.416 2.416 50 0 GEAAHM CC(NCCN1CCCCC1)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000020267687 570250621 /nfs/dbraw/zinc/25/06/21/570250621.db2.gz ZIAPJOFBLGZJFN-DTQAZKPQSA-N -1 3 390.871 2.272 50 0 GEAAHM Cc1nc(C[N-]S(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)sc1C ZINC000216313465 570298845 /nfs/dbraw/zinc/29/88/45/570298845.db2.gz LKBZMGZQXRXVKH-UHFFFAOYSA-N -1 3 379.507 2.474 50 0 GEAAHM COC[C@@](O)(C[N-]S(=O)(=O)c1cc(Cl)ccc1OC)c1ccccc1 ZINC000575606622 570329858 /nfs/dbraw/zinc/32/98/58/570329858.db2.gz IMCLACWVQDGUJT-KRWDZBQOSA-N -1 3 385.869 2.161 50 0 GEAAHM C[C@@H](NC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)C12CC3CC(CC(C3)C1)C2 ZINC000006295057 570364703 /nfs/dbraw/zinc/36/47/03/570364703.db2.gz FESHBVHCBBETOE-ZHHULCEESA-N -1 3 381.476 2.411 50 0 GEAAHM O=S(=O)([N-]Cc1cn(-c2cccnc2)nn1)c1ccccc1C(F)(F)F ZINC000575619726 570368527 /nfs/dbraw/zinc/36/85/27/570368527.db2.gz YCRZUCFEOHNQMR-UHFFFAOYSA-N -1 3 383.355 2.160 50 0 GEAAHM CCOc1ncccc1C(=O)O[C@@H](C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000024046881 570377978 /nfs/dbraw/zinc/37/79/78/570377978.db2.gz PEASZGLFSMUQMX-LBPRGKRZSA-N -1 3 392.433 2.280 50 0 GEAAHM O=S(=O)([N-]CCc1nnc(Cc2cccc(F)c2)[nH]1)c1ccccc1F ZINC000035509314 570379831 /nfs/dbraw/zinc/37/98/31/570379831.db2.gz FWDQVLDOIPASJJ-UHFFFAOYSA-N -1 3 378.404 2.195 50 0 GEAAHM CCCc1nnc([N-]C(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C(F)(F)F)s1 ZINC000030606085 570492377 /nfs/dbraw/zinc/49/23/77/570492377.db2.gz BJEQYFNSWBRODU-UHFFFAOYSA-N -1 3 399.358 2.443 50 0 GEAAHM Cc1c2c(=O)[n-]n(C)c2[nH]c(=O)c1CCC(=O)N1CC=C(c2ccccc2)CC1 ZINC000030598029 570492471 /nfs/dbraw/zinc/49/24/71/570492471.db2.gz MYAFRWKUEYEMMN-UHFFFAOYSA-N -1 3 392.459 2.112 50 0 GEAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)Nc3ccccc3C(N)=O)cc2O1 ZINC000006624225 570508216 /nfs/dbraw/zinc/50/82/16/570508216.db2.gz YRHQZGXRCFENBY-UHFFFAOYSA-N -1 3 384.388 2.252 50 0 GEAAHM Cc1cccc(Nc2nc(-c3cnc(N4CCN(C)CC4)nc3C)cc(=O)[n-]2)c1 ZINC000036235643 570578278 /nfs/dbraw/zinc/57/82/78/570578278.db2.gz JVCBEIUSNZLRGN-UHFFFAOYSA-N -1 3 391.479 2.339 50 0 GEAAHM CC(C)[C@@H](Cn1nccn1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000238821820 570801722 /nfs/dbraw/zinc/80/17/22/570801722.db2.gz CVAWGPYDBZYQRR-SECBINFHSA-N -1 3 379.305 2.105 50 0 GEAAHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)n1 ZINC000238977000 570817692 /nfs/dbraw/zinc/81/76/92/570817692.db2.gz ZWVKGSFGUBSNLJ-UHFFFAOYSA-N -1 3 396.426 2.419 50 0 GEAAHM COc1ccc(C2=NOC3=C([O-])N(c4ccc(C(C)=O)cc4)C(=O)[C@H]23)cc1OC ZINC000101274255 570818329 /nfs/dbraw/zinc/81/83/29/570818329.db2.gz WEGIWLZNQMFGEG-MJGOQNOKSA-N -1 3 394.383 2.199 50 0 GEAAHM CCOC(=O)c1ccc(N2C(=O)[C@H]3C(c4ccc(F)cc4)=NOC3=C2[O-])cc1 ZINC000101360709 570820206 /nfs/dbraw/zinc/82/02/06/570820206.db2.gz SCJUYRNNRXKUMA-RDJZCZTQSA-N -1 3 382.347 2.295 50 0 GEAAHM C[C@@H](OC(=O)c1cccc([N-]S(C)(=O)=O)c1)C(=O)Nc1cccnc1Cl ZINC000014672017 570853991 /nfs/dbraw/zinc/85/39/91/570853991.db2.gz ZZOXUJKKNSORPN-SNVBAGLBSA-N -1 3 397.840 2.291 50 0 GEAAHM CC(C)n1c(CCNC(=O)CNC(=O)c2cccc([O-])c2)nc2ccccc21 ZINC000097162888 570901085 /nfs/dbraw/zinc/90/10/85/570901085.db2.gz OIYZGZPMRDJWFG-UHFFFAOYSA-N -1 3 380.448 2.412 50 0 GEAAHM O=C(Cn1[n-]c(=O)c2ccccc2c1=O)N[C@H]1CCSc2c(F)cccc21 ZINC000014244375 570904047 /nfs/dbraw/zinc/90/40/47/570904047.db2.gz CMIOEEVIKQKNBZ-HNNXBMFYSA-N -1 3 385.420 2.182 50 0 GEAAHM O=C([O-])c1cc(-c2ccc(C(=O)NCCN3CCCC[C@@H]3CO)cc2)ccn1 ZINC000534592781 570907081 /nfs/dbraw/zinc/90/70/81/570907081.db2.gz QLVJMCKPVWECOZ-GOSISDBHSA-N -1 3 383.448 2.023 50 0 GEAAHM CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cc([O-])cc(F)c2)cc1 ZINC000089991188 570923544 /nfs/dbraw/zinc/92/35/44/570923544.db2.gz GENQEOVQPFXOGG-UHFFFAOYSA-N -1 3 382.413 2.237 50 0 GEAAHM COCCn1ccc2c1cccc2OCC(=O)Nc1n[n-]c([C@@H]2CCCO2)n1 ZINC000263588573 570932858 /nfs/dbraw/zinc/93/28/58/570932858.db2.gz VWGWBDJWOMTRDR-INIZCTEOSA-N -1 3 385.424 2.275 50 0 GEAAHM COc1cc(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)cc(Cl)c1OC ZINC000017114135 570941854 /nfs/dbraw/zinc/94/18/54/570941854.db2.gz QPOSWAHVVBGXNM-UHFFFAOYSA-N -1 3 381.816 2.257 50 0 GEAAHM CCN1CCN(C(=O)c2cnc(Cc3c(Cl)cccc3Cl)[n-]c2=O)CC1 ZINC000091988060 571038962 /nfs/dbraw/zinc/03/89/62/571038962.db2.gz JIXKRNSRQNNMSZ-UHFFFAOYSA-N -1 3 395.290 2.445 50 0 GEAAHM O=C([O-])[C@@H](c1cccc(-c2cc[nH]n2)c1)N1CCN(Cc2cccnc2)CC1 ZINC000095364325 571057478 /nfs/dbraw/zinc/05/74/78/571057478.db2.gz KNHCUGAKLPVIOB-HXUWFJFHSA-N -1 3 377.448 2.415 50 0 GEAAHM C[C@H](c1nncn1C1CCCC1)n1cc(-c2ccc(-c3nnn[n-]3)cc2)nn1 ZINC000095387332 571070689 /nfs/dbraw/zinc/07/06/89/571070689.db2.gz VDKQCXQDYFVJFV-GFCCVEGCSA-N -1 3 376.428 2.441 50 0 GEAAHM C[C@H](c1nncn1C1CCCC1)n1cc(-c2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000095387332 571070693 /nfs/dbraw/zinc/07/06/93/571070693.db2.gz VDKQCXQDYFVJFV-GFCCVEGCSA-N -1 3 376.428 2.441 50 0 GEAAHM Cc1nc(CCNC(=O)[C@H]2CCCN(Cc3ccco3)C2)sc1C(=O)[O-] ZINC000095500327 571075742 /nfs/dbraw/zinc/07/57/42/571075742.db2.gz RMXPCTXBUFSXMM-ZDUSSCGKSA-N -1 3 377.466 2.314 50 0 GEAAHM CN(C(=O)c1ccc(NC(=O)c2ccc(C(=O)[O-])nc2)cc1)[C@@H]1CCCN(C)C1 ZINC000607564518 600915026 /nfs/dbraw/zinc/91/50/26/600915026.db2.gz CRHAZWVXVLKKKI-QGZVFWFLSA-N -1 3 396.447 2.198 50 0 GEAAHM O=C([O-])[C@@H](CC(=O)Nc1ccc(Br)cc1)NCc1cccnc1 ZINC000004330025 531514236 /nfs/dbraw/zinc/51/42/36/531514236.db2.gz FSUHHOQLQNTXTK-CQSZACIVSA-N -1 3 378.226 2.416 50 0 GEAAHM COC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000000955847 531499642 /nfs/dbraw/zinc/49/96/42/531499642.db2.gz KMAJGYDWRHHTEM-GFCCVEGCSA-N -1 3 395.213 2.217 50 0 GEAAHM O=C(Cc1occc(=O)c1[O-])C(=O)Nc1c(F)cc(F)cc1Br ZINC000005740431 531520221 /nfs/dbraw/zinc/52/02/21/531520221.db2.gz SHUNJQLIPYQJPM-UHFFFAOYSA-N -1 3 388.120 2.136 50 0 GEAAHM O=c1ccc(-c2cccs2)nn1CC[N-]S(=O)(=O)c1ccccc1F ZINC000008954898 531548368 /nfs/dbraw/zinc/54/83/68/531548368.db2.gz VHALPIKWLMWTCL-UHFFFAOYSA-N -1 3 379.438 2.089 50 0 GEAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)Nc1nccs1 ZINC000013521481 531560178 /nfs/dbraw/zinc/56/01/78/531560178.db2.gz OTMZKVRYLLNUDW-NSHDSACASA-N -1 3 397.507 2.089 50 0 GEAAHM O=C(NCc1ccccc1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000032862598 531655815 /nfs/dbraw/zinc/65/58/15/531655815.db2.gz FLVLFBOQXPLKNL-UHFFFAOYSA-N -1 3 379.507 2.401 50 0 GEAAHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C)c2cncs2)cc1F ZINC000170619744 531883286 /nfs/dbraw/zinc/88/32/86/531883286.db2.gz XTQNJWWLLYKGGQ-VIFPVBQESA-N -1 3 393.487 2.083 50 0 GEAAHM O=C(CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)N1CCCC1 ZINC000009521204 203861853 /nfs/dbraw/zinc/86/18/53/203861853.db2.gz ISTPVAPDJUUQMA-UHFFFAOYSA-N -1 3 389.868 2.477 50 0 GEAAHM O=C1N[C@@]([N-]S(=O)(=O)c2ccccc2)(C(F)(F)F)C(=O)N1c1ccccc1 ZINC000004615178 204058182 /nfs/dbraw/zinc/05/81/82/204058182.db2.gz OGUJMSMDDWADDL-HNNXBMFYSA-N -1 3 399.350 2.184 50 0 GEAAHM COC(=O)c1sc2[n-]c(CSc3nnc(C4CC4)n3C)nc(=O)c2c1C ZINC000006106276 204165847 /nfs/dbraw/zinc/16/58/47/204165847.db2.gz GUZJXHFIXUIYPX-UHFFFAOYSA-N -1 3 391.478 2.378 50 0 GEAAHM Cc1cc2c(nc(C)n([N-]C(=O)Cn3cc(Br)c(C)n3)c2=O)s1 ZINC000006787681 204206528 /nfs/dbraw/zinc/20/65/28/204206528.db2.gz GBVZOLFHVYAGCJ-UHFFFAOYSA-N -1 3 396.270 2.113 50 0 GEAAHM COc1ccc(CCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1OC ZINC000006267799 204172511 /nfs/dbraw/zinc/17/25/11/204172511.db2.gz DTOCJBUVVGYTMH-UHFFFAOYSA-N -1 3 378.450 2.048 50 0 GEAAHM CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2ccc([O-])cc2O)cc1 ZINC000006509309 204181958 /nfs/dbraw/zinc/18/19/58/204181958.db2.gz BLTTYGQZEZQNDD-UHFFFAOYSA-N -1 3 386.404 2.375 50 0 GEAAHM COC(=O)c1c2c(sc1[N-]C(=O)C(=O)N1CCCCC1)COC(C)(C)C2 ZINC000006669371 204190348 /nfs/dbraw/zinc/19/03/48/204190348.db2.gz ZNSBOJLGPBBAPJ-UHFFFAOYSA-N -1 3 380.466 2.337 50 0 GEAAHM Cn1c(SCC(=O)c2ccc([N-]S(C)(=O)=O)cc2)nnc1-c1ccco1 ZINC000007025840 204231947 /nfs/dbraw/zinc/23/19/47/204231947.db2.gz WAAZSYLYRSSPLK-UHFFFAOYSA-N -1 3 392.462 2.422 50 0 GEAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)cc1C ZINC000011858377 204358109 /nfs/dbraw/zinc/35/81/09/204358109.db2.gz OOZVOBMEHWORQK-UHFFFAOYSA-N -1 3 394.474 2.171 50 0 GEAAHM COc1ccc(F)cc1S(=O)(=O)[N-]CC1CCN(C(=O)c2ccoc2)CC1 ZINC000077099729 205032497 /nfs/dbraw/zinc/03/24/97/205032497.db2.gz INKZBTSHBAYSCG-UHFFFAOYSA-N -1 3 396.440 2.258 50 0 GEAAHM Cc1nc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)nn1-c1ccc(F)cc1 ZINC000040070199 205049337 /nfs/dbraw/zinc/04/93/37/205049337.db2.gz KBOOXFLIUTZIIB-UHFFFAOYSA-N -1 3 389.412 2.339 50 0 GEAAHM C[C@]1(c2cccc(NC(=O)c3cc4ccccc4oc3=O)c2)NC(=O)[N-]C1=O ZINC000040110928 205053401 /nfs/dbraw/zinc/05/34/01/205053401.db2.gz SYCUTURLAFAQMJ-HXUWFJFHSA-N -1 3 377.356 2.100 50 0 GEAAHM Cc1ccc2c([O-])c(C(=O)N3CCN(Cc4ccccc4C)CC3)cnc2n1 ZINC000040122808 205055611 /nfs/dbraw/zinc/05/56/11/205055611.db2.gz YAGQUFYTSSYLIS-UHFFFAOYSA-N -1 3 376.460 2.498 50 0 GEAAHM Cc1ccc2c(=O)c(C(=O)N3CCN(Cc4ccccc4C)CC3)c[n-]c2n1 ZINC000040122808 205055614 /nfs/dbraw/zinc/05/56/14/205055614.db2.gz YAGQUFYTSSYLIS-UHFFFAOYSA-N -1 3 376.460 2.498 50 0 GEAAHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]C[C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000044789907 205086510 /nfs/dbraw/zinc/08/65/10/205086510.db2.gz TXQOOOZTVIRWHH-JTQLQIEISA-N -1 3 386.322 2.323 50 0 GEAAHM CCOC(=O)c1ccccc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)[n-]1 ZINC000057520921 205159416 /nfs/dbraw/zinc/15/94/16/205159416.db2.gz KXTAFLTVEWSWKC-UHFFFAOYSA-N -1 3 386.433 2.467 50 0 GEAAHM O=C([O-])c1c2c(sc1S(=O)(=O)N1CC[C@@H]1c1ccccc1)CNCC2 ZINC000067649746 205253342 /nfs/dbraw/zinc/25/33/42/205253342.db2.gz WEQVGXMUSWUYKL-CYBMUJFWSA-N -1 3 378.475 2.228 50 0 GEAAHM CC(C)Cn1nc(C(=O)[O-])c2c1CCN(C(=O)[C@H](C)N1CCC(C)CC1)C2 ZINC000067723359 205257390 /nfs/dbraw/zinc/25/73/90/205257390.db2.gz VEAJERIJLCMKKK-HNNXBMFYSA-N -1 3 376.501 2.242 50 0 GEAAHM COc1cccc(-c2n[nH]cc2C(=O)N2CCC[C@@H](c3cc(=O)[n-]cn3)C2)c1 ZINC000067821792 205262936 /nfs/dbraw/zinc/26/29/36/205262936.db2.gz WPTNVQKAFDFKGK-CQSZACIVSA-N -1 3 379.420 2.188 50 0 GEAAHM O=C([O-])c1c2c(sc1S(=O)(=O)N1CCC[C@H]1c1ccco1)CNCC2 ZINC000067818843 205263269 /nfs/dbraw/zinc/26/32/69/205263269.db2.gz KSAIALOLQFDJNT-NSHDSACASA-N -1 3 382.463 2.211 50 0 GEAAHM CCCn1nc(C(=O)[O-])c2c1CC[C@H](N1CCC(O)(c3cccnc3)CC1)C2 ZINC000067872601 205267056 /nfs/dbraw/zinc/26/70/56/205267056.db2.gz DIMBTCZRDAWIBW-INIZCTEOSA-N -1 3 384.480 2.227 50 0 GEAAHM CCN(Cc1ccccc1)S(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2 ZINC000071278764 205280067 /nfs/dbraw/zinc/28/00/67/205280067.db2.gz GUACGTSYWXPWCQ-UHFFFAOYSA-N -1 3 380.491 2.303 50 0 GEAAHM Cc1ccc(Nc2ccc(NCC[N-]S(=O)(=O)c3cccs3)nn2)nc1 ZINC000072436819 205350660 /nfs/dbraw/zinc/35/06/60/205350660.db2.gz GARGAPFQBUAASL-UHFFFAOYSA-N -1 3 390.494 2.376 50 0 GEAAHM CC(C)OCCS(=O)(=O)[N-][C@@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000095945088 205506092 /nfs/dbraw/zinc/50/60/92/205506092.db2.gz LQPOFZOSFJGKTG-CYBMUJFWSA-N -1 3 392.403 2.257 50 0 GEAAHM Cc1nc(C)c(CC(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)c(=O)[n-]1 ZINC000223801278 206005812 /nfs/dbraw/zinc/00/58/12/206005812.db2.gz LYNIQRZJTSLRQF-GRXDXKALSA-N -1 3 392.459 2.106 50 0 GEAAHM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000027598081 206014729 /nfs/dbraw/zinc/01/47/29/206014729.db2.gz URLKPKXBXXMKIR-UHFFFAOYSA-N -1 3 382.825 2.401 50 0 GEAAHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CCCO[C@@H]2CCCCO2)c1 ZINC000225547438 206056421 /nfs/dbraw/zinc/05/64/21/206056421.db2.gz UNNXFCKUXIYMGS-OAHLLOKOSA-N -1 3 391.873 2.338 50 0 GEAAHM O=C(N[C@H](Cn1c([O-])coc1=O)c1ccccc1)c1cc(-c2ccco2)n[nH]1 ZINC000225637105 206063011 /nfs/dbraw/zinc/06/30/11/206063011.db2.gz NWPPMKIZTNVPSI-OAHLLOKOSA-N -1 3 380.360 2.120 50 0 GEAAHM CC(=O)Nc1ncc(S(=O)(=O)[N-]C[C@@H](O)c2csc3ccccc23)s1 ZINC000225697524 206067326 /nfs/dbraw/zinc/06/73/26/206067326.db2.gz VEBYCKLHVALXDP-GFCCVEGCSA-N -1 3 397.503 2.328 50 0 GEAAHM COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1ccc(F)cc1Cl ZINC000032747392 206094627 /nfs/dbraw/zinc/09/46/27/206094627.db2.gz WNNJXPSTJCITIV-UHFFFAOYSA-N -1 3 385.804 2.388 50 0 GEAAHM CC(C)c1nc(S(=O)(=O)[N-]C[C@H](O)c2ccc3c(ccn3C)c2)cn1C ZINC000244933346 206133143 /nfs/dbraw/zinc/13/31/43/206133143.db2.gz CMVULNDVDWGXMB-INIZCTEOSA-N -1 3 376.482 2.047 50 0 GEAAHM CCn1c(=O)[nH]nc1[C@@H]1CCCN(Cc2c3cc(C)ccc3[nH]c2C(=O)[O-])C1 ZINC000067871923 222165406 /nfs/dbraw/zinc/16/54/06/222165406.db2.gz YXPGGGYNSAUICH-CYBMUJFWSA-N -1 3 383.452 2.459 50 0 GEAAHM Cn1c(SCC(=O)Nc2cccc(Br)c2)nc2c1nc[n-]c2=O ZINC000012427858 560211990 /nfs/dbraw/zinc/21/19/90/560211990.db2.gz CDUCRMFPDRPDIH-UHFFFAOYSA-N -1 3 394.254 2.150 50 0 biogenic,in-vitro GEAAHM COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc(Cl)c1[O-] ZINC000000706398 570218933 /nfs/dbraw/zinc/21/89/33/570218933.db2.gz CWIRGHMRUNPYIC-XHDPSFHLSA-N -1 3 396.827 2.404 50 0 GEAAHM COc1ccccc1-c1nc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)n[n-]1 ZINC000048356145 570242318 /nfs/dbraw/zinc/24/23/18/570242318.db2.gz VHZOJGMGBLXITK-CYBMUJFWSA-N -1 3 379.424 2.125 50 0 GEAAHM CN1CCN(C(=O)COc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)CC1 ZINC000020648287 570274152 /nfs/dbraw/zinc/27/41/52/570274152.db2.gz ROKLFTMRHLRDHW-UHFFFAOYSA-N -1 3 394.427 2.318 50 0 GEAAHM CCOC(=O)c1nnsc1[N-]C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000033436136 570349493 /nfs/dbraw/zinc/34/94/93/570349493.db2.gz AQHRPYWGMMTSNR-UHFFFAOYSA-N -1 3 375.454 2.065 50 0 GEAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cn(-c2cccs2)nn1 ZINC000575615563 570354087 /nfs/dbraw/zinc/35/40/87/570354087.db2.gz FGIHQCUOTBKMLH-UHFFFAOYSA-N -1 3 384.870 2.469 50 0 GEAAHM Cc1cc([N-]C(=O)[C@H](C)OC(=O)CCc2c(C)nc3cc(C)nn3c2C)on1 ZINC000025002827 570403141 /nfs/dbraw/zinc/40/31/41/570403141.db2.gz PEIMELOTIKFOIG-AWEZNQCLSA-N -1 3 385.424 2.454 50 0 GEAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)NC1CCCC1 ZINC000005067930 570410585 /nfs/dbraw/zinc/41/05/85/570410585.db2.gz TXROMJVLYRNQLF-AWEZNQCLSA-N -1 3 382.511 2.053 50 0 GEAAHM Cc1ccc(C(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)c([O-])c1 ZINC000029422056 570473405 /nfs/dbraw/zinc/47/34/05/570473405.db2.gz KNQLKPAYPUTIHQ-UHFFFAOYSA-N -1 3 376.478 2.458 50 0 GEAAHM COCc1nnc([N-]C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)o1 ZINC000002720209 570508228 /nfs/dbraw/zinc/50/82/28/570508228.db2.gz YTVATPMLVUWRNN-UHFFFAOYSA-N -1 3 394.453 2.033 50 0 GEAAHM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1N(C)S(C)(=O)=O ZINC000005516246 570623892 /nfs/dbraw/zinc/62/38/92/570623892.db2.gz XYSDMAIBLFKZRI-UHFFFAOYSA-N -1 3 384.479 2.200 50 0 GEAAHM [O-]C(c1ccccc1)=C1[C@H](c2cccnc2)NC(=S)N[C@]1(O)C(F)(F)F ZINC000004338077 570677560 /nfs/dbraw/zinc/67/75/60/570677560.db2.gz LKOSKKKYWCAGOJ-HEHGZKQESA-N -1 3 381.379 2.350 50 0 GEAAHM O=c1ccc(-c2ccco2)nn1CCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000013799758 570697734 /nfs/dbraw/zinc/69/77/34/570697734.db2.gz WYNUWTNANGIEIZ-UHFFFAOYSA-N -1 3 395.387 2.150 50 0 GEAAHM COc1cccc(C(=O)NCc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC000013691503 570776083 /nfs/dbraw/zinc/77/60/83/570776083.db2.gz XQSXBVJQSZDPLM-UHFFFAOYSA-N -1 3 375.388 2.047 50 0 GEAAHM Cc1nc(C)c(CCC(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)c(=O)[n-]1 ZINC000032809501 570831953 /nfs/dbraw/zinc/83/19/53/570831953.db2.gz AXJPGJYIBISBBY-QGZVFWFLSA-N -1 3 384.436 2.076 50 0 GEAAHM Cc1noc(C)c1S(=O)(=O)[N-]CCC(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000014239777 570835580 /nfs/dbraw/zinc/83/55/80/570835580.db2.gz YWFRRAAUDGEPMV-UHFFFAOYSA-N -1 3 395.525 2.292 50 0 GEAAHM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000032841426 570849611 /nfs/dbraw/zinc/84/96/11/570849611.db2.gz UIFVEWKTBAXXCW-UHFFFAOYSA-N -1 3 383.496 2.018 50 0 GEAAHM CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)CNC(=O)c1cccc([O-])c1 ZINC000097095810 570891780 /nfs/dbraw/zinc/89/17/80/570891780.db2.gz UYPTZWGNZPBNEE-OAHLLOKOSA-N -1 3 391.468 2.028 50 0 GEAAHM CCOC(=O)c1c2c(sc1NC(=O)CSc1cnnc(=O)[n-]1)CCCC2 ZINC000015859739 570906708 /nfs/dbraw/zinc/90/67/08/570906708.db2.gz SYXJBDNQZVQUBI-UHFFFAOYSA-N -1 3 394.478 2.425 50 0 GEAAHM O=C1[N-]C(=O)C(=CNc2ccc(S(=O)(=O)C(F)F)cc2)c2ccccc21 ZINC000104934062 570908512 /nfs/dbraw/zinc/90/85/12/570908512.db2.gz BKUIJHLVFDIHOR-ZROIWOOFSA-N -1 3 378.356 2.406 50 0 GEAAHM COc1cccc([C@@H]2[C@@H](S(=O)(=O)[N-]C3CCCCC3)CON2C)c1OC ZINC000105025053 570913510 /nfs/dbraw/zinc/91/35/10/570913510.db2.gz DNGVFQDMUILXER-DLBZAZTESA-N -1 3 384.498 2.243 50 0 GEAAHM CC(=O)N[C@@H](CC(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccccc1 ZINC000012735409 570977968 /nfs/dbraw/zinc/97/79/68/570977968.db2.gz MCPDDCSIXPNZNF-INIZCTEOSA-N -1 3 393.440 2.403 50 0 GEAAHM O=C(c1cccc([O-])c1)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 ZINC000091321691 571003483 /nfs/dbraw/zinc/00/34/83/571003483.db2.gz GCHXZWBNDNLUPQ-NRFANRHFSA-N -1 3 382.464 2.203 50 0 GEAAHM Cc1nc(C2CCN(C(=O)c3cccc(Cn4cccn4)c3)CC2)cc(=O)[n-]1 ZINC000091693793 571026506 /nfs/dbraw/zinc/02/65/06/571026506.db2.gz RFEYWRMWIAXEJB-UHFFFAOYSA-N -1 3 377.448 2.343 50 0 GEAAHM O=C(c1ccc([O-])cc1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 ZINC000091986302 571038941 /nfs/dbraw/zinc/03/89/41/571038941.db2.gz ABBLTWAGIZDVQG-UHFFFAOYSA-N -1 3 380.448 2.042 50 0 GEAAHM O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cnc(-c2ccccc2)[n-]c1=O ZINC000092066809 571043971 /nfs/dbraw/zinc/04/39/71/571043971.db2.gz WSQUUUZFXMJCJH-KRWDZBQOSA-N -1 3 382.464 2.222 50 0 GEAAHM COc1ccc([C@@H](C(=O)[O-])N2CCC(C(=O)N3CCCC3)CC2)c(OC)c1 ZINC000095369778 571060238 /nfs/dbraw/zinc/06/02/38/571060238.db2.gz RQWFKVZTBWNYSX-SFHVURJKSA-N -1 3 376.453 2.164 50 0 GEAAHM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(CCCC(=O)c1ccc(F)cc1)CC2 ZINC000095388990 571071704 /nfs/dbraw/zinc/07/17/04/571071704.db2.gz XQXOLUWJMHJZLZ-INIZCTEOSA-N -1 3 376.428 2.186 50 0 GEAAHM Cc1cccc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)c1[O-] ZINC000095512940 571083029 /nfs/dbraw/zinc/08/30/29/571083029.db2.gz PUAJRNFWCBUHKC-UHFFFAOYSA-N -1 3 394.475 2.350 50 0 GEAAHM Cc1cc(=O)[n-]c(CCNC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000426562988 231241609 /nfs/dbraw/zinc/24/16/09/231241609.db2.gz MGJGNFYTSVMTFC-HNNXBMFYSA-N -1 3 376.844 2.470 50 0 GEAAHM CC(C)c1nnc(C[N-]S(=O)(=O)c2sccc2Br)n1C ZINC000096012539 531934033 /nfs/dbraw/zinc/93/40/33/531934033.db2.gz ZJTSKKDLMSAKET-UHFFFAOYSA-N -1 3 379.305 2.241 50 0 GEAAHM O=C1[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CN1c1ccc(F)cc1 ZINC000096006734 531934058 /nfs/dbraw/zinc/93/40/58/531934058.db2.gz HAUQINOZWFWBJB-LBPRGKRZSA-N -1 3 390.223 2.221 50 0 GEAAHM O=S(=O)(Cc1cc(F)ccc1Cl)[N-][C@@H]1COCC[C@@H]1OCC1CC1 ZINC000222335176 532485574 /nfs/dbraw/zinc/48/55/74/532485574.db2.gz JWNJNLZLFRJIEN-CVEARBPZSA-N -1 3 377.865 2.483 50 0 GEAAHM O=S(=O)([N-]C[C@@H](O)c1ccc2c(c1)OCCO2)c1ccc(Cl)s1 ZINC000244914766 532520370 /nfs/dbraw/zinc/52/03/70/532520370.db2.gz BCTQBJYTNSFULS-SNVBAGLBSA-N -1 3 375.855 2.185 50 0 GEAAHM Cc1ccc(NC(=O)CC[N-]S(=O)(=O)c2cccc3nonc32)cc1Cl ZINC000003665275 204018131 /nfs/dbraw/zinc/01/81/31/204018131.db2.gz TVJXBJDXFBGTJQ-UHFFFAOYSA-N -1 3 394.840 2.492 50 0 GEAAHM O=C(NCc1ccc2c(c1)OCO2)C(=C([O-])c1ccccc1)n1ccccc1=O ZINC000004679809 204062943 /nfs/dbraw/zinc/06/29/43/204062943.db2.gz GHCMEDNVSDBKNG-FQEVSTJZSA-N -1 3 390.395 2.317 50 0 GEAAHM Cn1c2cc(S(=O)(=O)[N-]c3ccc(Cn4ccnc4)cc3)ccc2oc1=O ZINC000008783454 204289820 /nfs/dbraw/zinc/28/98/20/204289820.db2.gz QQAXQWYXMXCRGP-UHFFFAOYSA-N -1 3 384.417 2.177 50 0 GEAAHM COCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000009225971 204303136 /nfs/dbraw/zinc/30/31/36/204303136.db2.gz MQVXLXUZKLMTHG-UHFFFAOYSA-N -1 3 398.868 2.282 50 0 GEAAHM CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1nc2ccsc2c(=O)[n-]1 ZINC000009337699 204307462 /nfs/dbraw/zinc/30/74/62/204307462.db2.gz UAESAZRAXBDUQK-UHFFFAOYSA-N -1 3 399.476 2.404 50 0 GEAAHM C[C@@]1(CSc2ccccc2C(=O)NCCc2cccs2)NC(=O)[N-]C1=O ZINC000009375966 204308230 /nfs/dbraw/zinc/30/82/30/204308230.db2.gz CVYAATAFVBZGSS-SFHVURJKSA-N -1 3 389.502 2.411 50 0 GEAAHM CCN(CCCNC(=O)c1c([O-])nc2ccccn2c1=O)c1cccc(C)c1 ZINC000009882086 204325672 /nfs/dbraw/zinc/32/56/72/204325672.db2.gz JZPXZMCKDNBSPJ-UHFFFAOYSA-N -1 3 380.448 2.355 50 0 GEAAHM COC(=O)c1sc2[n-]c(CSc3nncn3C3CC3)nc(=O)c2c1C ZINC000011722079 204350580 /nfs/dbraw/zinc/35/05/80/204350580.db2.gz CUXXSNRPRBXSER-UHFFFAOYSA-N -1 3 377.451 2.298 50 0 GEAAHM O=C(CCc1ccncc1)N1CCC[C@@H](C[N-]S(=O)(=O)c2cccs2)C1 ZINC000012320381 204397526 /nfs/dbraw/zinc/39/75/26/204397526.db2.gz DTWFMNSDSYINJV-INIZCTEOSA-N -1 3 393.534 2.293 50 0 GEAAHM C[C@]1(c2cccc(NC(=O)c3cncc(Br)c3)c2)NC(=O)[N-]C1=O ZINC000040110892 205053184 /nfs/dbraw/zinc/05/31/84/205053184.db2.gz WJKVYNBXCFPYIQ-MRXNPFEDSA-N -1 3 389.209 2.151 50 0 GEAAHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NC2=NCCS2)ccc1Cl ZINC000043765128 205083787 /nfs/dbraw/zinc/08/37/87/205083787.db2.gz SLOXWWIYHJULLQ-UHFFFAOYSA-N -1 3 375.903 2.249 50 0 GEAAHM COCCOC(=O)c1sc2[n-]c(CN(C)Cc3ccco3)nc(=O)c2c1C ZINC000057456469 205157905 /nfs/dbraw/zinc/15/79/05/205157905.db2.gz GHKGDXFSRBJUMS-UHFFFAOYSA-N -1 3 391.449 2.321 50 0 GEAAHM Cc1nc(NCC[N-]S(=O)(=O)c2ccc(F)cc2F)cc(N2CCCC2)n1 ZINC000065362803 205231210 /nfs/dbraw/zinc/23/12/10/205231210.db2.gz DNEYUTLTWUPGHK-UHFFFAOYSA-N -1 3 397.451 2.054 50 0 GEAAHM Cc1cc(C)n(-c2cc(NCC[N-]S(=O)(=O)c3cccs3)nc(C)n2)n1 ZINC000065364364 205232793 /nfs/dbraw/zinc/23/27/93/205232793.db2.gz BOTUQEUPNSBONJ-UHFFFAOYSA-N -1 3 392.510 2.039 50 0 GEAAHM Cc1nc([C@H]2CCCN(CCC(=O)Nc3nnc(C4CC4)s3)C2)cc(=O)[n-]1 ZINC000065405583 205233814 /nfs/dbraw/zinc/23/38/14/205233814.db2.gz FPGASNVAOKFEQA-ZDUSSCGKSA-N -1 3 388.497 2.428 50 0 GEAAHM Cc1cc(CNS(=O)(=O)c2sc3c(c2C(=O)[O-])CCNC3)ccc1F ZINC000067741545 205258125 /nfs/dbraw/zinc/25/81/25/205258125.db2.gz PBGXUARFJHOZOL-UHFFFAOYSA-N -1 3 384.454 2.018 50 0 GEAAHM Cc1cccc(-c2c[nH]nc2C2CCN(C(=O)c3cc(=O)[n-]c(=O)[nH]3)CC2)c1 ZINC000067770496 205258392 /nfs/dbraw/zinc/25/83/92/205258392.db2.gz ZKQJNDQFJVHUJU-UHFFFAOYSA-N -1 3 379.420 2.194 50 0 GEAAHM Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3cc(=O)[n-]c(=O)[nH]3)CC2)c1 ZINC000067770496 205258394 /nfs/dbraw/zinc/25/83/94/205258394.db2.gz ZKQJNDQFJVHUJU-UHFFFAOYSA-N -1 3 379.420 2.194 50 0 GEAAHM CN(Cc1cc[nH]n1)C(=O)[C@H]1C[C@@H](C(=O)[O-])N(C)[C@H]1c1cccc(Cl)c1 ZINC000067755955 205259534 /nfs/dbraw/zinc/25/95/34/205259534.db2.gz HLKMZLLWGFWNFC-JYJNAYRXSA-N -1 3 376.844 2.168 50 0 GEAAHM O=C([O-])c1c2c(sc1S(=O)(=O)NCc1ccc(Cl)cc1)CNCC2 ZINC000067852401 205263766 /nfs/dbraw/zinc/26/37/66/205263766.db2.gz QWEKSXGYLCHCQG-UHFFFAOYSA-N -1 3 386.882 2.224 50 0 GEAAHM Cc1c2cc(CNC(=O)CN3CC(=O)[N-]C3=O)ccc2[nH]c1-c1ccccc1F ZINC000077375266 205360912 /nfs/dbraw/zinc/36/09/12/205360912.db2.gz PMSXPVXPVZZEOX-UHFFFAOYSA-N -1 3 394.406 2.450 50 0 GEAAHM O=C(CCc1nc(-c2ccccc2)no1)N1CCC[C@H](c2cc(=O)[n-]cn2)C1 ZINC000077422830 205361974 /nfs/dbraw/zinc/36/19/74/205361974.db2.gz ORDVMFRHZFYBMF-HNNXBMFYSA-N -1 3 379.420 2.159 50 0 GEAAHM CC(=O)N1CCC2(C[C@H](C(=O)[O-])N(Cc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000072426620 205349102 /nfs/dbraw/zinc/34/91/02/205349102.db2.gz LKCANYPBSNMXGW-LJQANCHMSA-N -1 3 382.464 2.160 50 0 GEAAHM CCCN1C(=O)C(=Cc2ccc([O-])c(I)c2)NC1=S ZINC000101522944 205623479 /nfs/dbraw/zinc/62/34/79/205623479.db2.gz VEYYCIVNZZYLCG-YFHOEESVSA-N -1 3 388.230 2.464 50 0 GEAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1C[C@H](C)[C@H]1c1ccccc1 ZINC000170643655 205858168 /nfs/dbraw/zinc/85/81/68/205858168.db2.gz NGGQYUZEVACPOA-RBOXIYTFSA-N -1 3 377.466 2.178 50 0 GEAAHM CCc1cccc(C)c1NC(=O)CSc1[n-]c(=O)nc(C)c1C(=O)OC ZINC000031618107 206087211 /nfs/dbraw/zinc/08/72/11/206087211.db2.gz NWZANSLWPJMJDO-UHFFFAOYSA-N -1 3 375.450 2.467 50 0 GEAAHM O=C(Cc1cc2c(cc1Cl)OCCO2)N[C@H]1C[C@H](c2cc(=O)[n-]cn2)C1 ZINC000253535351 206149105 /nfs/dbraw/zinc/14/91/05/206149105.db2.gz MKBRPYRHUJUYJU-HAQNSBGRSA-N -1 3 375.812 2.212 50 0 GEAAHM COc1ccc(NC(=O)CN2CCc3nc(C)[n-]c(=O)c3CC2)cc1Cl ZINC000253537317 206149480 /nfs/dbraw/zinc/14/94/80/206149480.db2.gz LZPZLEMSYDBPPI-UHFFFAOYSA-N -1 3 376.844 2.192 50 0 GEAAHM CCC(=O)N1CCC(c2nc3c(nnn3Cc3ccccc3F)c(=O)[n-]2)CC1 ZINC000009202304 221073831 /nfs/dbraw/zinc/07/38/31/221073831.db2.gz BNIKBVHSMOIYPQ-UHFFFAOYSA-N -1 3 384.415 2.230 50 0 GEAAHM COC(=O)c1ccc(N2CCN(C(=O)c3ccc4n[n-]nc4c3)[C@@H](C)C2)cc1 ZINC000058282843 136155138 /nfs/dbraw/zinc/15/51/38/136155138.db2.gz WNLRPKJGIVILQY-ZDUSSCGKSA-N -1 3 379.420 2.095 50 0 GEAAHM Cc1ccc(Cl)cc1NC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000012808091 570222260 /nfs/dbraw/zinc/22/22/60/570222260.db2.gz RKTVWOALICRTLI-UHFFFAOYSA-N -1 3 390.871 2.448 50 0 GEAAHM O=C(Nc1ccccc1[O-])c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000000806084 570224369 /nfs/dbraw/zinc/22/43/69/570224369.db2.gz SRJSIJJKDJTSEA-UHFFFAOYSA-N -1 3 396.852 2.319 50 0 GEAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1ccccc1N(Cc1ccccc1)C2=O ZINC000000806609 570224384 /nfs/dbraw/zinc/22/43/84/570224384.db2.gz XNTSAUQEDKIIRU-HXUWFJFHSA-N -1 3 394.456 2.389 50 0 GEAAHM O=C(N[C@H]1CCN(C(=O)OCc2ccccc2)C1)c1ccccc1-c1nnn[n-]1 ZINC000097766474 570253998 /nfs/dbraw/zinc/25/39/98/570253998.db2.gz RFCBTTFBMKKTBU-HNNXBMFYSA-N -1 3 392.419 2.008 50 0 GEAAHM O=C(N[C@H]1CCN(C(=O)OCc2ccccc2)C1)c1ccccc1-c1nn[n-]n1 ZINC000097766474 570254001 /nfs/dbraw/zinc/25/40/01/570254001.db2.gz RFCBTTFBMKKTBU-HNNXBMFYSA-N -1 3 392.419 2.008 50 0 GEAAHM Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NN3CC(=O)[N-]C3=O)cc12 ZINC000012899489 570287545 /nfs/dbraw/zinc/28/75/45/570287545.db2.gz JLUZGFRYRUSLFQ-UHFFFAOYSA-N -1 3 389.824 2.245 50 0 GEAAHM O=C([O-])[C@]12CN(Cc3cccnc3)C[C@H]1CN(C(=O)c1cc(F)ccc1F)C2 ZINC000215410414 570288719 /nfs/dbraw/zinc/28/87/19/570288719.db2.gz QYJUCOASWCIXGZ-XOBRGWDASA-N -1 3 387.386 2.019 50 0 GEAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NCCc1c[nH]c2ccccc12 ZINC000012923327 570295374 /nfs/dbraw/zinc/29/53/74/570295374.db2.gz XHPYSYVKIDCZOV-UHFFFAOYSA-N -1 3 376.416 2.332 50 0 GEAAHM O=C(C[N-]S(=O)(=O)/C=C\c1ccccc1)OCc1nnc(-c2ccccc2)o1 ZINC000033415623 570313035 /nfs/dbraw/zinc/31/30/35/570313035.db2.gz AOPNXFMZUCUQJU-QXMHVHEDSA-N -1 3 399.428 2.370 50 0 GEAAHM C[C@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2ccc3[nH]cnc3c2)C1=O ZINC000023946957 570375525 /nfs/dbraw/zinc/37/55/25/570375525.db2.gz YQFIWMTVVTZFAI-HXUWFJFHSA-N -1 3 377.404 2.151 50 0 GEAAHM O=C(c1ccccc1[O-])N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000024216817 570380846 /nfs/dbraw/zinc/38/08/46/570380846.db2.gz WTSGVMRQGOBJAS-UHFFFAOYSA-N -1 3 378.425 2.068 50 0 GEAAHM Cc1ccc(-n2c(=O)[nH]c([O-])c([C@H]3NCCc4c5ccccc5[nH]c43)c2=O)cc1 ZINC000100754585 570440529 /nfs/dbraw/zinc/44/05/29/570440529.db2.gz ACBZHHBZYQWZKB-LJQANCHMSA-N -1 3 388.427 2.256 50 0 GEAAHM Cc1ccc(-n2c([O-])c([C@H]3NCCc4c5ccccc5[nH]c43)c(=O)[nH]c2=O)cc1 ZINC000100754585 570440532 /nfs/dbraw/zinc/44/05/32/570440532.db2.gz ACBZHHBZYQWZKB-LJQANCHMSA-N -1 3 388.427 2.256 50 0 GEAAHM COc1ccccc1C(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000013690105 570775246 /nfs/dbraw/zinc/77/52/46/570775246.db2.gz BJUBEFJJXRUTJT-UHFFFAOYSA-N -1 3 375.388 2.047 50 0 GEAAHM COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3[O-])C2)cc1 ZINC000014161031 570825866 /nfs/dbraw/zinc/82/58/66/570825866.db2.gz UAVRSBIQMPJOHM-AWEZNQCLSA-N -1 3 390.461 2.440 50 0 GEAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CC(OC)C3)cc2)cc1OC ZINC000239846249 570838853 /nfs/dbraw/zinc/83/88/53/570838853.db2.gz KZWPNZHNXSMQCG-UHFFFAOYSA-N -1 3 378.450 2.340 50 0 GEAAHM CCOC(=O)c1cc([N-]C(=O)c2nc3nccc(C)n3n2)cc(C(=O)OCC)c1 ZINC000014700083 570855237 /nfs/dbraw/zinc/85/52/37/570855237.db2.gz FOHNZZDXKKFCDA-UHFFFAOYSA-N -1 3 397.391 2.038 50 0 GEAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc(F)c1)CC(=O)N2 ZINC000046074067 571019101 /nfs/dbraw/zinc/01/91/01/571019101.db2.gz DJPLDEQRGCAYLH-NSHDSACASA-N -1 3 376.413 2.476 50 0 GEAAHM CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)c1n[nH]c(=O)[n-]1 ZINC000095505467 571078497 /nfs/dbraw/zinc/07/84/97/571078497.db2.gz APPSAECNHAUXBH-HNNXBMFYSA-N -1 3 375.448 2.066 50 0 GEAAHM O=C([C@H]1CCOc2ccccc2C1)N1CCc2c(=O)[n-]c(CC3CC3)nc2C1 ZINC000095511711 571082533 /nfs/dbraw/zinc/08/25/33/571082533.db2.gz VQEYJNCPQXKUFA-INIZCTEOSA-N -1 3 379.460 2.249 50 0 GEAAHM CC(C)n1ccnc1[C@@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cc2[O-])C1 ZINC000095512065 571082587 /nfs/dbraw/zinc/08/25/87/571082587.db2.gz NYAOUPYQCSWCQS-CQSZACIVSA-N -1 3 381.440 2.165 50 0 GEAAHM CCN(CC)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(CSC)o2)cc1 ZINC000002720235 531504736 /nfs/dbraw/zinc/50/47/36/531504736.db2.gz VZIKJOWHVYAQFA-UHFFFAOYSA-N -1 3 384.483 2.215 50 0 GEAAHM Cc1nnc(NC(=O)CSc2nnc([N-]C(=O)c3ccco3)s2)s1 ZINC000009366973 531550246 /nfs/dbraw/zinc/55/02/46/531550246.db2.gz ZQGRFKZACJGZGM-UHFFFAOYSA-N -1 3 382.452 2.274 50 0 GEAAHM COc1ccc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000012821519 531554666 /nfs/dbraw/zinc/55/46/66/531554666.db2.gz VEROORAXRSBYQH-UHFFFAOYSA-N -1 3 380.491 2.340 50 0 GEAAHM Cc1nc(-c2csc(S(=O)(=O)[N-]Cc3ccc4c(c3)OCO4)c2)no1 ZINC000021701714 531588153 /nfs/dbraw/zinc/58/81/53/531588153.db2.gz QTKPWSIMJUSWMP-UHFFFAOYSA-N -1 3 379.419 2.314 50 0 GEAAHM COc1cccc([C@H](C[N-]S(=O)(=O)c2cccs2)N2CCOCC2)c1 ZINC000023108028 531594043 /nfs/dbraw/zinc/59/40/43/531594043.db2.gz WWVXMTYEFZUOKT-INIZCTEOSA-N -1 3 382.507 2.109 50 0 GEAAHM C[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)c2nc(C)c(C)s2)ccc1F ZINC000079054112 531922460 /nfs/dbraw/zinc/92/24/60/531922460.db2.gz MPIOQHILOMBKHA-UHFFFAOYSA-N -1 3 385.486 2.472 50 0 GEAAHM O=C(Cn1cc(Cl)c(=O)[n-]c1=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000174127055 532050653 /nfs/dbraw/zinc/05/06/53/532050653.db2.gz IGJOUPBPCAHTDG-UHFFFAOYSA-N -1 3 380.134 2.084 50 0 GEAAHM CCOC(=O)[N-]C(=O)C(=CNc1cc(Cl)ccc1C)C(=O)NC(=O)OCC ZINC000002178891 203930065 /nfs/dbraw/zinc/93/00/65/203930065.db2.gz XRXANEMUHPHPHJ-UHFFFAOYSA-N -1 3 397.815 2.490 50 0 GEAAHM CSCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCc1ccco1 ZINC000003447589 204007927 /nfs/dbraw/zinc/00/79/27/204007927.db2.gz NTJUKLYUWIGXMJ-AWEZNQCLSA-N -1 3 386.470 2.135 50 0 GEAAHM COC(=O)c1sc2[n-]c(CN3CCN(c4ccccc4)CC3)nc(=O)c2c1C ZINC000003537867 204013010 /nfs/dbraw/zinc/01/30/10/204013010.db2.gz YWXNSIXGVBCJHQ-UHFFFAOYSA-N -1 3 398.488 2.402 50 0 GEAAHM COc1cccc(C(=O)N[C@@]2(C(F)(F)F)[N-]C(=O)N(Cc3ccco3)C2=O)c1 ZINC000003622982 204015387 /nfs/dbraw/zinc/01/53/87/204015387.db2.gz ZOKZNPFBPXMLQV-MRXNPFEDSA-N -1 3 397.309 2.029 50 0 GEAAHM O=C(NC[C@@H]1CCCO1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000004728134 204069294 /nfs/dbraw/zinc/06/92/94/204069294.db2.gz VTDRRBILPKDJIF-JTQLQIEISA-N -1 3 393.292 2.343 50 0 GEAAHM COc1cc(/C=C2\SC(=N)NC2=O)cc(I)c1[O-] ZINC000005092392 204110473 /nfs/dbraw/zinc/11/04/73/204110473.db2.gz ZOTJSYBKMSGCCJ-YWEYNIOJSA-N -1 3 376.175 2.144 50 0 GEAAHM O=C(CSc1nc2c(cnn2-c2ccccn2)c(=O)[n-]1)Nc1cccc(F)c1 ZINC000006657440 204189176 /nfs/dbraw/zinc/18/91/76/204189176.db2.gz RJIZRTGZNYCGRB-UHFFFAOYSA-N -1 3 396.407 2.374 50 0 GEAAHM O=c1cc(-c2ccccc2)nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[n-]1 ZINC000008619708 204281776 /nfs/dbraw/zinc/28/17/76/204281776.db2.gz NTHYBWJROXDHMN-UHFFFAOYSA-N -1 3 390.443 2.488 50 0 GEAAHM CC(C)C(=O)N1CCC(c2nc3c(nnn3Cc3ccccc3F)c(=O)[n-]2)CC1 ZINC000009202300 204301933 /nfs/dbraw/zinc/30/19/33/204301933.db2.gz OWTGDBBEKNYUFZ-UHFFFAOYSA-N -1 3 398.442 2.476 50 0 GEAAHM CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000009447929 204311679 /nfs/dbraw/zinc/31/16/79/204311679.db2.gz AVHSEPBHPHQKIX-UHFFFAOYSA-N -1 3 379.380 2.036 50 0 GEAAHM CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000009447929 204311683 /nfs/dbraw/zinc/31/16/83/204311683.db2.gz AVHSEPBHPHQKIX-UHFFFAOYSA-N -1 3 379.380 2.036 50 0 GEAAHM O=S(=O)([N-]CCOc1cc(N2CCCC2)ncn1)c1ccc(Cl)s1 ZINC000036708031 204325238 /nfs/dbraw/zinc/32/52/38/204325238.db2.gz OAQKCJOGRIVLSS-UHFFFAOYSA-N -1 3 388.902 2.149 50 0 GEAAHM C[C@@H]1Sc2ccc(C(=O)[N-]N3C(=O)NC4(CCCCC4)C3=O)cc2NC1=O ZINC000009996075 204328373 /nfs/dbraw/zinc/32/83/73/204328373.db2.gz BGKZDNKHNGSIGK-JTQLQIEISA-N -1 3 388.449 2.019 50 0 GEAAHM Cc1oc(-c2ccccc2)nc1COC(=O)Cn1[n-]c(=O)c2ccccc2c1=O ZINC000010388278 204334755 /nfs/dbraw/zinc/33/47/55/204334755.db2.gz ZVIKTDXHBKXIQP-UHFFFAOYSA-N -1 3 391.383 2.397 50 0 GEAAHM CCc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)cc1 ZINC000011858253 204357188 /nfs/dbraw/zinc/35/71/88/204357188.db2.gz IDELLTCJJYKQBL-UHFFFAOYSA-N -1 3 394.474 2.116 50 0 GEAAHM CN1CCN(CCC[N-]S(=O)(=O)c2ccccc2F)[C@H](c2ccccc2)C1 ZINC000036389860 205016558 /nfs/dbraw/zinc/01/65/58/205016558.db2.gz ROCGUZGDCCVAOH-IBGZPJMESA-N -1 3 391.512 2.483 50 0 GEAAHM Cc1nc2cc(NC(=O)CNC(=O)c3c[n-]c4ccccc4c3=O)ccc2o1 ZINC000040122820 205055109 /nfs/dbraw/zinc/05/51/09/205055109.db2.gz NMJLEFPKDIEUIA-UHFFFAOYSA-N -1 3 376.372 2.346 50 0 GEAAHM COCCN(C(C)=O)c1nc(C)c(C(=O)[N-]c2nnc(C3CC3)s2)s1 ZINC000044901733 205089833 /nfs/dbraw/zinc/08/98/33/205089833.db2.gz MGBKYRBGXSWGEL-UHFFFAOYSA-N -1 3 381.483 2.432 50 0 GEAAHM Cc1ccc(C)c(CCNS(=O)(=O)c2sc3c(c2C(=O)[O-])CCNC3)c1 ZINC000067758807 205259411 /nfs/dbraw/zinc/25/94/11/205259411.db2.gz SJLDRBKMKVWYRR-UHFFFAOYSA-N -1 3 394.518 2.230 50 0 GEAAHM Cn1nc(C2CCN(C(=O)c3cccc([O-])c3)CC2)n(-c2ccccc2)c1=O ZINC000067804647 205260214 /nfs/dbraw/zinc/26/02/14/205260214.db2.gz ISLWKXPHTPVCFG-UHFFFAOYSA-N -1 3 378.432 2.296 50 0 GEAAHM Cc1cc(C(=O)[N-]c2nc(C(=O)N3CCn4c5ccccc5nc43)co2)no1 ZINC000090582958 205274261 /nfs/dbraw/zinc/27/42/61/205274261.db2.gz RTSMPJXLUQEXFJ-UHFFFAOYSA-N -1 3 378.348 2.233 50 0 GEAAHM Cc1n[nH]c(C)c1CCC(=O)N1CCc2c(=O)[n-]c(-c3ccccc3)nc2C1 ZINC000071415634 205283864 /nfs/dbraw/zinc/28/38/64/205283864.db2.gz VTFIIMMNXPNAPX-UHFFFAOYSA-N -1 3 377.448 2.294 50 0 GEAAHM O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(Cc2cc(=O)[n-]c(=O)[nH]2)C1 ZINC000071761430 205293676 /nfs/dbraw/zinc/29/36/76/205293676.db2.gz LJCLVRNITISMHN-GFCCVEGCSA-N -1 3 381.354 2.177 50 0 GEAAHM CC[C@@H](C(=O)N1CCc2c(=O)[n-]cnc2C1)n1cc(C(C)=O)c2ccccc21 ZINC000072169008 205314445 /nfs/dbraw/zinc/31/44/45/205314445.db2.gz SKFOYCWXHLDYAX-SFHVURJKSA-N -1 3 378.432 2.463 50 0 GEAAHM Cc1cnn(C2(C(=O)[O-])CCN(Cc3cc4cc(C)ccc4[nH]c3=O)CC2)c1 ZINC000077407238 205361699 /nfs/dbraw/zinc/36/16/99/205361699.db2.gz ZIXPIDGLOPVHRS-UHFFFAOYSA-N -1 3 380.448 2.417 50 0 GEAAHM Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000079074400 205381340 /nfs/dbraw/zinc/38/13/40/205381340.db2.gz RIBNXHJWHAEESZ-UHFFFAOYSA-N -1 3 386.433 2.129 50 0 GEAAHM CN(C)C(=O)N1CCCn2nc(C[N-]c3nc(-c4ccccc4)no3)cc2C1 ZINC000082114371 205387319 /nfs/dbraw/zinc/38/73/19/205387319.db2.gz ITMOOROYZOSVKS-UHFFFAOYSA-N -1 3 381.440 2.433 50 0 GEAAHM Cc1nc(C2([N-]S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CCCC2)no1 ZINC000056054945 205954638 /nfs/dbraw/zinc/95/46/38/205954638.db2.gz OPQCEBKTSYEIEJ-UHFFFAOYSA-N -1 3 376.438 2.011 50 0 GEAAHM CC(C)n1cnc(S(=O)(=O)[N-]C[C@@](O)(c2ccco2)c2cccs2)c1 ZINC000225590517 206058163 /nfs/dbraw/zinc/05/81/63/206058163.db2.gz VDJVCYIBYRTCEV-MRXNPFEDSA-N -1 3 381.479 2.333 50 0 GEAAHM COC(=O)c1sccc1S(=O)(=O)[N-]CCn1nc(C2CC2)cc1C1CC1 ZINC000096121777 206119352 /nfs/dbraw/zinc/11/93/52/206119352.db2.gz BREURVFIBWMOFT-UHFFFAOYSA-N -1 3 395.506 2.465 50 0 GEAAHM COC(=O)c1sccc1S(=O)(=O)[N-]CCCn1ccc2cccnc21 ZINC000096353598 206123000 /nfs/dbraw/zinc/12/30/00/206123000.db2.gz IQNCATQLHXGZRI-UHFFFAOYSA-N -1 3 379.463 2.253 50 0 GEAAHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)OCCOc1ccccc1F ZINC000012798382 221233963 /nfs/dbraw/zinc/23/39/63/221233963.db2.gz HJRDWDPFQNKZPD-UHFFFAOYSA-N -1 3 385.388 2.255 50 0 GEAAHM C[C@]1(c2ccc(NC(=O)c3cccnc3N3CCCCC3)cc2)NC(=O)[N-]C1=O ZINC000069507737 136165105 /nfs/dbraw/zinc/16/51/05/136165105.db2.gz VLILLAMJEQIPHA-OAQYLSRUSA-N -1 3 393.447 2.379 50 0 GEAAHM O=c1[n-]c(CNC2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)n[nH]1 ZINC000095391699 136179006 /nfs/dbraw/zinc/17/90/06/136179006.db2.gz VSIHBQWTAAUUAD-UHFFFAOYSA-N -1 3 376.770 2.336 50 0 GEAAHM CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc(Br)c1[O-] ZINC000001184913 570256201 /nfs/dbraw/zinc/25/62/01/570256201.db2.gz QKVWVOSCNSWBOE-LBPRGKRZSA-N -1 3 385.214 2.354 50 0 GEAAHM COC(=O)c1nnsc1[N-]C(=O)COc1ccc2c(C)c(C)c(=O)oc2c1 ZINC000020734319 570277877 /nfs/dbraw/zinc/27/78/77/570277877.db2.gz DSJDOWYREKQBTP-UHFFFAOYSA-N -1 3 389.389 2.065 50 0 GEAAHM COc1ccccc1CC[N-]S(=O)(=O)[C@@H]1CON(C)[C@@H]1c1cccc(F)c1 ZINC000034739334 570330725 /nfs/dbraw/zinc/33/07/25/570330725.db2.gz PIQBPVOJQVSYIJ-RTBURBONSA-N -1 3 394.468 2.283 50 0 GEAAHM O=C(c1csc(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)c1)N1CCCC1 ZINC000035405025 570351804 /nfs/dbraw/zinc/35/18/04/570351804.db2.gz WGBYNUHMZDGBNY-UHFFFAOYSA-N -1 3 394.474 2.191 50 0 GEAAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCCn1c2ccccc2oc1=O ZINC000024886370 570397450 /nfs/dbraw/zinc/39/74/50/570397450.db2.gz IZCDGXCZKRMJKS-UHFFFAOYSA-N -1 3 389.433 2.385 50 0 GEAAHM Cc1cc([N-]C(=O)[C@@H](C)OC(=O)CCc2c(C)nc3cc(C)nn3c2C)on1 ZINC000025002823 570403048 /nfs/dbraw/zinc/40/30/48/570403048.db2.gz PEIMELOTIKFOIG-CQSZACIVSA-N -1 3 385.424 2.454 50 0 GEAAHM O=c1[nH]c([O-])c([C@@H]2NCCc3c4ccccc4[nH]c32)c(=O)n1-c1ccc(F)cc1 ZINC000100768772 570442838 /nfs/dbraw/zinc/44/28/38/570442838.db2.gz GOJJHFOIDSTGLI-SFHVURJKSA-N -1 3 392.390 2.087 50 0 GEAAHM O=c1[nH]c(=O)n(-c2ccc(F)cc2)c([O-])c1[C@@H]1NCCc2c3ccccc3[nH]c21 ZINC000100768772 570442841 /nfs/dbraw/zinc/44/28/41/570442841.db2.gz GOJJHFOIDSTGLI-SFHVURJKSA-N -1 3 392.390 2.087 50 0 GEAAHM COC(=O)c1cccc2nc(NC(=O)c3ccc(-c4n[nH]c(C)n4)cc3)[n-]c21 ZINC000089497062 570455967 /nfs/dbraw/zinc/45/59/67/570455967.db2.gz XLZSTHSHKPKNHH-UHFFFAOYSA-N -1 3 376.376 2.117 50 0 GEAAHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(-c4n[nH]c(C)n4)cc3)nc21 ZINC000089497062 570455971 /nfs/dbraw/zinc/45/59/71/570455971.db2.gz XLZSTHSHKPKNHH-UHFFFAOYSA-N -1 3 376.376 2.117 50 0 GEAAHM C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)NC[C@@H]1CCCO1 ZINC000032668007 570732218 /nfs/dbraw/zinc/73/22/18/570732218.db2.gz RWKXCIKUCFMZRZ-JSGCOSHPSA-N -1 3 399.476 2.297 50 0 GEAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCN(C)CC3)ccc2C)cc1 ZINC000013682617 570773288 /nfs/dbraw/zinc/77/32/88/570773288.db2.gz BDJPDAVOAJLFSC-UHFFFAOYSA-N -1 3 387.505 2.492 50 0 GEAAHM COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1ccc(Cl)cc1F ZINC000032747393 570793329 /nfs/dbraw/zinc/79/33/29/570793329.db2.gz TWEVOOFCQZHSLT-UHFFFAOYSA-N -1 3 385.804 2.388 50 0 GEAAHM CCN(CC[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1)c1cccc(C)c1 ZINC000032885530 570884976 /nfs/dbraw/zinc/88/49/76/570884976.db2.gz DMFCCBWYZOUSKM-UHFFFAOYSA-N -1 3 395.550 2.497 50 0 GEAAHM O=C(NCCN1CCc2sccc2C1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000097152492 570964793 /nfs/dbraw/zinc/96/47/93/570964793.db2.gz POGUMRLUMCSOSI-QGZVFWFLSA-N -1 3 399.516 2.233 50 0 GEAAHM Cc1nc2sccc2c(=O)n1[N-]C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000012748453 570993136 /nfs/dbraw/zinc/99/31/36/570993136.db2.gz QAMCNOALLKERSZ-UHFFFAOYSA-N -1 3 399.400 2.147 50 0 GEAAHM O=S(=O)([N-]CCCOC[C@H]1CCCO1)c1ccc(F)cc1Br ZINC000045816788 570997212 /nfs/dbraw/zinc/99/72/12/570997212.db2.gz HNWCFCJLSVWRAA-GFCCVEGCSA-N -1 3 396.278 2.452 50 0 GEAAHM COc1ccc(Cl)cc1[C@@H](C(=O)[O-])N1CCN(C2CCN(C)CC2)CC1 ZINC000095379876 571066596 /nfs/dbraw/zinc/06/65/96/571066596.db2.gz VIGIPHYMMOVLRD-SFHVURJKSA-N -1 3 381.904 2.186 50 0 GEAAHM Cc1cc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)ccc1[O-] ZINC000095519341 571086162 /nfs/dbraw/zinc/08/61/62/571086162.db2.gz FKPQEZOFWLXDAD-UHFFFAOYSA-N -1 3 394.475 2.350 50 0 GEAAHM Cc1ncc(C(=O)N2CCC(c3nccn3Cc3ccccc3)CC2)c(=O)[n-]1 ZINC000095527238 571091339 /nfs/dbraw/zinc/09/13/39/571091339.db2.gz HCRLETCCZISNNQ-UHFFFAOYSA-N -1 3 377.448 2.343 50 0 GEAAHM CN(C(=O)c1ccc(NC(=O)c2ccc(C(=O)[O-])cn2)cc1)[C@@H]1CCCN(C)C1 ZINC000649463027 600914884 /nfs/dbraw/zinc/91/48/84/600914884.db2.gz PMEVPVWZTVGMTQ-QGZVFWFLSA-N -1 3 396.447 2.198 50 0 GEAAHM CN(C(=O)c1ccc(NC(=O)c2ccc(C(=O)[O-])cn2)cc1)[C@H]1CCCN(C)C1 ZINC000649463026 600914982 /nfs/dbraw/zinc/91/49/82/600914982.db2.gz PMEVPVWZTVGMTQ-KRWDZBQOSA-N -1 3 396.447 2.198 50 0 GEAAHM O=S(=O)([N-]c1cc(N2CCOCC2)ccc1Br)c1cccnc1 ZINC000864096925 653725904 /nfs/dbraw/zinc/72/59/04/653725904.db2.gz UYURWLFXLQEJBY-UHFFFAOYSA-N -1 3 398.282 2.482 50 0 GEAAHM Cc1cc(C(=O)N2CCC[C@@H](c3ccccc3)C2)c2c(=O)[n-]c(=O)n(C)c2n1 ZINC000426606763 231246595 /nfs/dbraw/zinc/24/65/95/231246595.db2.gz PKSXSWFENIPBGD-OAHLLOKOSA-N -1 3 378.432 2.362 50 0 GEAAHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccco1 ZINC000009254731 531551333 /nfs/dbraw/zinc/55/13/33/531551333.db2.gz PNSDQHKZYWAYLF-UHFFFAOYSA-N -1 3 377.249 2.224 50 0 GEAAHM O=C1[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CN1c1ccc(F)cc1 ZINC000096006735 531934652 /nfs/dbraw/zinc/93/46/52/531934652.db2.gz HAUQINOZWFWBJB-GFCCVEGCSA-N -1 3 390.223 2.221 50 0 GEAAHM COc1ccc(Cl)cc1C(=O)[N-]n1cnc2c(cnn2C(C)(C)C)c1=O ZINC000010250820 203902818 /nfs/dbraw/zinc/90/28/18/203902818.db2.gz HFFANUJOMDCQLZ-UHFFFAOYSA-N -1 3 375.816 2.394 50 0 GEAAHM CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)[C@H](C)N([O-])C=O)C(C)(C)C ZINC000003820678 204019097 /nfs/dbraw/zinc/01/90/97/204019097.db2.gz GHVMTHKJUAOZJP-CGTJXYLNSA-N -1 3 391.512 2.139 50 0 in-vitro GEAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)C(=O)Nc2ccc(Br)cc2)N1 ZINC000004742379 204072289 /nfs/dbraw/zinc/07/22/89/204072289.db2.gz MOAMZJPYDZSBLG-LBPRGKRZSA-N -1 3 394.147 2.247 50 0 GEAAHM CCc1ccc2c(c1)[C@@]1(SC([N-]C(C)=O)=NN1C(C)=O)C(=O)N2CC(C)C ZINC000004785108 204075959 /nfs/dbraw/zinc/07/59/59/204075959.db2.gz HBEOABGDXLQVQS-LJQANCHMSA-N -1 3 388.493 2.407 50 0 GEAAHM Cc1nnc([N-]C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)s1 ZINC000004842424 204081744 /nfs/dbraw/zinc/08/17/44/204081744.db2.gz PLHNIWBMHWNYRP-UHFFFAOYSA-N -1 3 384.458 2.413 50 0 GEAAHM COc1cccc(CNC(=O)[C@@H]([N-]S(=O)(=O)c2cccs2)C(C)C)c1 ZINC000004879880 204085352 /nfs/dbraw/zinc/08/53/52/204085352.db2.gz NDZVBTWMYPRWPA-INIZCTEOSA-N -1 3 382.507 2.376 50 0 GEAAHM Cc1ccc(=O)n(C(C(=O)NCc2ccccn2)=C([O-])c2ccc(F)cc2)c1 ZINC000004676771 204062874 /nfs/dbraw/zinc/06/28/74/204062874.db2.gz ODYRGYXSHSMEIL-IBGZPJMESA-N -1 3 379.391 2.431 50 0 GEAAHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(N2CCCS2(=O)=O)cc1 ZINC000005075440 204110029 /nfs/dbraw/zinc/11/00/29/204110029.db2.gz QAAOFNWNBBFBDQ-UHFFFAOYSA-N -1 3 384.454 2.475 50 0 GEAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCS3(=O)=O)cc2)cc1C ZINC000005075414 204110193 /nfs/dbraw/zinc/11/01/93/204110193.db2.gz HUECBIRJZBHELB-UHFFFAOYSA-N -1 3 396.490 2.344 50 0 GEAAHM CCCCc1c(C)nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[n-]c1=O ZINC000005210404 204119275 /nfs/dbraw/zinc/11/92/75/204119275.db2.gz UUYIFKMQFXJHNN-UHFFFAOYSA-N -1 3 384.480 2.472 50 0 GEAAHM CCOC(=O)C1=C(C)Nc2[nH]c(=O)[n-]c(=O)c2[C@H]1c1ccc2ncccc2c1 ZINC000005525851 204137223 /nfs/dbraw/zinc/13/72/23/204137223.db2.gz YUNHXUGNEPBYIT-HNNXBMFYSA-N -1 3 378.388 2.006 50 0 GEAAHM C[C@H](OC(=O)Cn1cc(Br)c(=O)[n-]c1=O)c1ccccc1Cl ZINC000006879070 204219255 /nfs/dbraw/zinc/21/92/55/204219255.db2.gz HMECCRIRXNULFO-QMMMGPOBSA-N -1 3 387.617 2.257 50 0 GEAAHM Cc1ccc(NC(=O)[C@@H](OC(=O)CC[C@H]2NC(=O)[N-]C2=O)c2ccccc2)cc1 ZINC000007093414 204232672 /nfs/dbraw/zinc/23/26/72/204232672.db2.gz JWRWQZBKNUOENY-AEFFLSMTSA-N -1 3 395.415 2.206 50 0 GEAAHM COc1cc(S(=O)(=O)[N-]Cc2ccccn2)c(OC)cc1Br ZINC000008715881 204286389 /nfs/dbraw/zinc/28/63/89/204286389.db2.gz AOPHWQULUYEDDS-UHFFFAOYSA-N -1 3 387.255 2.340 50 0 GEAAHM COc1cc(C(=O)[N-]N2C(=O)N[C@](C)(c3ccco3)C2=O)ccc1OC(F)F ZINC000008752091 204289070 /nfs/dbraw/zinc/28/90/70/204289070.db2.gz RIHOFNOSWZAZTR-QGZVFWFLSA-N -1 3 395.318 2.002 50 0 GEAAHM COc1ccccc1CNC(=O)c1ccccc1SC[C@@]1(C)NC(=O)[N-]C1=O ZINC000008277290 204268842 /nfs/dbraw/zinc/26/88/42/204268842.db2.gz WRJKUWCGWKCBFV-HXUWFJFHSA-N -1 3 399.472 2.315 50 0 GEAAHM CNC(=O)c1ccc(NC(=O)[C@H]([N-]S(=O)(=O)c2cccs2)C(C)C)cc1 ZINC000008424082 204276305 /nfs/dbraw/zinc/27/63/05/204276305.db2.gz XTJDCIZTMUAYMD-OAHLLOKOSA-N -1 3 395.506 2.049 50 0 GEAAHM CCCCCNC(=O)[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(C)C ZINC000036329887 204318230 /nfs/dbraw/zinc/31/82/30/204318230.db2.gz MGFQZIBEVWXOHK-CQSZACIVSA-N -1 3 384.527 2.301 50 0 GEAAHM O=C(CCNS(=O)(=O)c1cccc(Br)c1)Nc1ccccc1[O-] ZINC000012853430 204456737 /nfs/dbraw/zinc/45/67/37/204456737.db2.gz LQSPLFQVDHMEHH-UHFFFAOYSA-N -1 3 399.266 2.462 50 0 GEAAHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1 ZINC000021113291 204753668 /nfs/dbraw/zinc/75/36/68/204753668.db2.gz CFCWCOHONJXHJT-UHFFFAOYSA-N -1 3 380.491 2.426 50 0 GEAAHM Cc1cc(C)nc([N-]C(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)n2)n1 ZINC000077100460 205032277 /nfs/dbraw/zinc/03/22/77/205032277.db2.gz LRQWKZKEPJBRCJ-UHFFFAOYSA-N -1 3 379.302 2.220 50 0 GEAAHM Cc1nc2nc3ccn([N-]C(=O)c4ccncc4)c(=O)c3c(-c3ccccc3)n2n1 ZINC000038828704 205038420 /nfs/dbraw/zinc/03/84/20/205038420.db2.gz ZHVHVNZCEJIUBU-UHFFFAOYSA-N -1 3 397.398 2.194 50 0 GEAAHM C[C@@]1(c2cccc(NC(=O)c3cc4c(c(Cl)c3)OCO4)c2)NC(=O)[N-]C1=O ZINC000040111075 205052829 /nfs/dbraw/zinc/05/28/29/205052829.db2.gz MMMVYMBEICYFKS-SFHVURJKSA-N -1 3 387.779 2.376 50 0 GEAAHM C[C@@]1(c2cccc(NC(=O)c3cncn3-c3ccc(F)cc3)c2)NC(=O)[N-]C1=O ZINC000040117836 205053619 /nfs/dbraw/zinc/05/36/19/205053619.db2.gz RRJXMMLHLHEFPI-FQEVSTJZSA-N -1 3 393.378 2.318 50 0 GEAAHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCC[C@H]1c1ccncc1 ZINC000040157439 205060195 /nfs/dbraw/zinc/06/01/95/205060195.db2.gz HNGYAVRUVLVYLO-BBRMVZONSA-N -1 3 377.441 2.251 50 0 GEAAHM O=S(=O)([N-]C[C@H](c1ccccc1)N1CCOCC1)c1ccc(F)c(F)c1 ZINC000044782775 205086301 /nfs/dbraw/zinc/08/63/01/205086301.db2.gz NXLXDLZLQFRNGC-GOSISDBHSA-N -1 3 382.432 2.317 50 0 GEAAHM Cc1nnc(-c2ccc(S(=O)(=O)[N-]Cc3ccc4c(c3)OCO4)s2)o1 ZINC000064919984 205200120 /nfs/dbraw/zinc/20/01/20/205200120.db2.gz LNEIZJWOEXEPOB-UHFFFAOYSA-N -1 3 379.419 2.314 50 0 GEAAHM CS(=O)(=O)N1CCC[C@H]1c1nnc(C(=O)[N-]c2ccc(F)cc2F)s1 ZINC000064941470 205201888 /nfs/dbraw/zinc/20/18/88/205201888.db2.gz KNQYCIBTHJIKBE-NSHDSACASA-N -1 3 388.421 2.165 50 0 GEAAHM CN1[C@@H](c2ccccc2F)[C@@H](C(=O)NCCc2ccc(O)cc2)C[C@H]1C(=O)[O-] ZINC000067787734 205260339 /nfs/dbraw/zinc/26/03/39/205260339.db2.gz SPUWEFQPYWFZDQ-WDSOQIARSA-N -1 3 386.423 2.336 50 0 GEAAHM Cc1nc(C)c(Cc2nc(C3CC3)nn2-c2ccc3c(c2)OCCO3)c(=O)[n-]1 ZINC000067908503 205266644 /nfs/dbraw/zinc/26/66/44/205266644.db2.gz QIPBEQCOZBJJER-UHFFFAOYSA-N -1 3 379.420 2.207 50 0 GEAAHM Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)c2cc(=O)[n-]c(=O)[nH]2)CCO3)cc1 ZINC000067884805 205266700 /nfs/dbraw/zinc/26/67/00/205266700.db2.gz SHJRBOSEAAOSSI-UHFFFAOYSA-N -1 3 393.399 2.191 50 0 GEAAHM O=S(=O)([N-]CCOCCO)c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000068741247 205271890 /nfs/dbraw/zinc/27/18/90/205271890.db2.gz MYIUACISIUNZCJ-UHFFFAOYSA-N -1 3 381.294 2.011 50 0 GEAAHM Cc1nn(C)c(C)c1CN(C)C[C@@H](CC(=O)Nc1ccc(F)cc1)C(=O)[O-] ZINC000071283410 205279346 /nfs/dbraw/zinc/27/93/46/205279346.db2.gz SVGGGGJEKFNFQI-CQSZACIVSA-N -1 3 376.432 2.337 50 0 GEAAHM COc1ccc(NC(=O)C[C@H](CN(C)Cc2c(C)nn(C)c2C)C(=O)[O-])cc1 ZINC000071284351 205280227 /nfs/dbraw/zinc/28/02/27/205280227.db2.gz GXVGGLMMJOVHPL-OAHLLOKOSA-N -1 3 388.468 2.207 50 0 GEAAHM CCOC(=O)C[C@@H](c1cc2c(c(Cl)c1)OCO2)c1oc(CO)cc(=O)c1[O-] ZINC000071284862 205280254 /nfs/dbraw/zinc/28/02/54/205280254.db2.gz JAGAVIWXVMNUDW-NSHDSACASA-N -1 3 396.779 2.305 50 0 GEAAHM O=C(CCc1nc(-c2ccccc2)no1)N1CCC[C@@H](c2cc(=O)[n-]cn2)C1 ZINC000077422834 205363215 /nfs/dbraw/zinc/36/32/15/205363215.db2.gz ORDVMFRHZFYBMF-OAHLLOKOSA-N -1 3 379.420 2.159 50 0 GEAAHM CC(C)c1nc(S(=O)(=O)[N-]C[C@@](O)(c2ccco2)c2cccs2)cn1C ZINC000225590579 206058334 /nfs/dbraw/zinc/05/83/34/206058334.db2.gz DCVXVJKRQOEOKW-QGZVFWFLSA-N -1 3 395.506 2.412 50 0 GEAAHM Cc1nn(-c2ccccn2)c(C)c1CC[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000225584160 206058921 /nfs/dbraw/zinc/05/89/21/206058921.db2.gz BLFPLQZIWSHGFT-UHFFFAOYSA-N -1 3 388.497 2.183 50 0 GEAAHM CC(C)n1cnc(S(=O)(=O)[N-]Cc2nnc3cc(C(F)(F)F)ccn32)c1 ZINC000225808252 206077299 /nfs/dbraw/zinc/07/72/99/206077299.db2.gz IRQUJYZMVYMOMC-UHFFFAOYSA-N -1 3 388.375 2.004 50 0 GEAAHM CCOC(=O)CCC[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000033048021 206097164 /nfs/dbraw/zinc/09/71/64/206097164.db2.gz GGMUKYIGVNWXHP-UHFFFAOYSA-N -1 3 380.260 2.079 50 0 GEAAHM COc1cc(Br)c(CN2CCC(c3nc(=O)[n-][nH]3)CC2)c(OC)c1 ZINC000239667908 206127149 /nfs/dbraw/zinc/12/71/49/206127149.db2.gz BRXRCKPFECPAFM-UHFFFAOYSA-N -1 3 397.273 2.257 50 0 GEAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)NC[C@H](O)c3ccccc3)cc2O1 ZINC000012893382 221242149 /nfs/dbraw/zinc/24/21/49/221242149.db2.gz QLSPZAHGVGBELQ-KRWDZBQOSA-N -1 3 385.416 2.365 50 0 GEAAHM O=C([O-])[C@@H](CC(=O)Nc1cccc(O)c1)CN1CCN(c2ccccc2)CC1 ZINC000071283472 136165663 /nfs/dbraw/zinc/16/56/63/136165663.db2.gz HTDWCUHAKCXXDI-INIZCTEOSA-N -1 3 383.448 2.244 50 0 GEAAHM CCC[C@H](NC(=O)c1cccc(-c2ccc(-c3nnn[n-]3)cc2)c1)C(=O)NC ZINC000426673995 528205557 /nfs/dbraw/zinc/20/55/57/528205557.db2.gz GMEZTXFBCFWESC-KRWDZBQOSA-N -1 3 378.436 2.178 50 0 GEAAHM CCC[C@H](NC(=O)c1cccc(-c2ccc(-c3nn[n-]n3)cc2)c1)C(=O)NC ZINC000426673995 528205562 /nfs/dbraw/zinc/20/55/62/528205562.db2.gz GMEZTXFBCFWESC-KRWDZBQOSA-N -1 3 378.436 2.178 50 0 GEAAHM CCOC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1 ZINC000000982873 570232950 /nfs/dbraw/zinc/23/29/50/570232950.db2.gz AJECFPKPSUZTRV-UHFFFAOYSA-N -1 3 395.433 2.447 50 0 GEAAHM COc1ccc(S(=O)(=O)[N-]c2cccc(N(C)S(C)(=O)=O)c2)cc1C ZINC000001131193 570245477 /nfs/dbraw/zinc/24/54/77/570245477.db2.gz CXSNBANDSJMFSV-UHFFFAOYSA-N -1 3 384.479 2.200 50 0 GEAAHM COc1cc(NC(=O)C=C2[N-]S(=O)(=O)c3ccccc3N2)cc(OC)c1 ZINC000015826706 570267874 /nfs/dbraw/zinc/26/78/74/570267874.db2.gz HYDCTBRSMYMMCX-UHFFFAOYSA-N -1 3 375.406 2.055 50 0 GEAAHM Nc1nc([O-])c([C@]2(O)C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)s1 ZINC000101490246 570283870 /nfs/dbraw/zinc/28/38/70/570283870.db2.gz VRXJKPIOVFHCBO-KDOFPFPSSA-N -1 3 387.848 2.031 50 0 GEAAHM COc1ccc(CNC(=O)CN2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1 ZINC000012923407 570295444 /nfs/dbraw/zinc/29/54/44/570295444.db2.gz NUOGBSMDJXBBES-UHFFFAOYSA-N -1 3 397.475 2.368 50 0 GEAAHM COc1cccc([C@@H]2[C@@H](S(=O)(=O)[N-]Cc3cccc(C)c3)CON2C)c1 ZINC000034739343 570330674 /nfs/dbraw/zinc/33/06/74/570330674.db2.gz MJVXRGVBIOLRQX-RBUKOAKNSA-N -1 3 376.478 2.410 50 0 GEAAHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@H](c1ccsc1)n1cccn1 ZINC000575613980 570339851 /nfs/dbraw/zinc/33/98/51/570339851.db2.gz NGJWCCLHKIRGDI-GFCCVEGCSA-N -1 3 397.503 2.361 50 0 GEAAHM COc1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc(-c2cnn(C)c2)nc1 ZINC000575616898 570359692 /nfs/dbraw/zinc/35/96/92/570359692.db2.gz QLWMIUIMYVVGDS-UHFFFAOYSA-N -1 3 376.413 2.108 50 0 GEAAHM CCN(CC)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc([C@H]3CCCO3)o2)cc1 ZINC000010970398 570399515 /nfs/dbraw/zinc/39/95/15/570399515.db2.gz GQRHQIQRDLGPQX-CQSZACIVSA-N -1 3 394.453 2.204 50 0 GEAAHM CS(=O)(=O)N1CCC(c2nnc(C(=O)[N-]c3ccccc3F)s2)CC1 ZINC000033273289 570404342 /nfs/dbraw/zinc/40/43/42/570404342.db2.gz KHRYJRCINUWDSQ-UHFFFAOYSA-N -1 3 384.458 2.069 50 0 GEAAHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCS3(=O)=O)cc2)ccc1F ZINC000005075441 570411724 /nfs/dbraw/zinc/41/17/24/570411724.db2.gz BDLMNKOCQHDXGR-UHFFFAOYSA-N -1 3 384.454 2.475 50 0 GEAAHM O=c1ccc(-c2ccccc2)nn1CCC[N-]S(=O)(=O)c1cccs1 ZINC000011738504 570431621 /nfs/dbraw/zinc/43/16/21/570431621.db2.gz UFAOYSTWNWNWQW-UHFFFAOYSA-N -1 3 375.475 2.340 50 0 GEAAHM COc1cc(OC)cc([C@@H]2[C@@H](S(=O)(=O)[N-]C3CCCCC3)CON2C)c1 ZINC000169681308 570601371 /nfs/dbraw/zinc/60/13/71/570601371.db2.gz BVIWHDWDIXLYFS-ZWKOTPCHSA-N -1 3 384.498 2.243 50 0 GEAAHM C[C@](O)(C[N-]S(=O)(=O)c1ccc(Br)s1)Cc1ccco1 ZINC000206619881 570604339 /nfs/dbraw/zinc/60/43/39/570604339.db2.gz QMQNAHULAPOMIF-GFCCVEGCSA-N -1 3 380.285 2.376 50 0 GEAAHM C[C@@]12CC(C)(C)NC(=S)N1CC(=O)N2N=c1ccc(-c2cccs2)n[n-]1 ZINC000012402175 570655035 /nfs/dbraw/zinc/65/50/35/570655035.db2.gz UCDBIRPPVKTHKS-QGZVFWFLSA-N -1 3 388.522 2.449 50 0 GEAAHM CC[C@H]1COCCN1Cc1ccc(-c2nc(CCn3cccn3)cc(=O)[n-]2)cc1 ZINC000048501568 570658930 /nfs/dbraw/zinc/65/89/30/570658930.db2.gz CULQACDYBBVLSA-FQEVSTJZSA-N -1 3 393.491 2.487 50 0 GEAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(C)(=O)=O)[C@@H](c2ccco2)C1 ZINC000072314581 570661477 /nfs/dbraw/zinc/66/14/77/570661477.db2.gz RTKGNUWBWOGKDZ-OAHLLOKOSA-N -1 3 397.478 2.152 50 0 GEAAHM COc1ccc([N-]S(=O)(=O)c2ccc(Cc3cc(C)n[nH]c3=O)cc2)cc1 ZINC000033026639 570661561 /nfs/dbraw/zinc/66/15/61/570661561.db2.gz IGBWJROWTYIUFL-UHFFFAOYSA-N -1 3 385.445 2.479 50 0 GEAAHM COC(=O)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000012630826 570693408 /nfs/dbraw/zinc/69/34/08/570693408.db2.gz HFPAMUKNAMPMBY-UHFFFAOYSA-N -1 3 376.434 2.007 50 0 GEAAHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000019080119 570731249 /nfs/dbraw/zinc/73/12/49/570731249.db2.gz SHDSISJTXVWDSE-HNNXBMFYSA-N -1 3 385.474 2.493 50 0 GEAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000032721820 570768249 /nfs/dbraw/zinc/76/82/49/570768249.db2.gz VAECLTDQCXLOFA-MRXNPFEDSA-N -1 3 390.440 2.066 50 0 GEAAHM CCOC(=O)C(Sc1nnc(-c2cnn(-c3ccccc3)c2N)o1)=C(C)[O-] ZINC000005952939 570808184 /nfs/dbraw/zinc/80/81/84/570808184.db2.gz JWACLHXVCRVWFC-ZDUSSCGKSA-N -1 3 387.421 2.117 50 0 GEAAHM COc1cc(C(=S)N2CCOCC2)cc(I)c1[O-] ZINC000001214594 570809160 /nfs/dbraw/zinc/80/91/60/570809160.db2.gz RRCGPNSLMPHNOU-UHFFFAOYSA-N -1 3 379.219 2.013 50 0 GEAAHM Cc1c(C(=O)NC2CCN(c3nc(C)cc(=O)[n-]3)CC2)cnn1-c1ccccc1 ZINC000238973054 570817721 /nfs/dbraw/zinc/81/77/21/570817721.db2.gz ZPAUWFBRFCTKSL-UHFFFAOYSA-N -1 3 392.463 2.384 50 0 GEAAHM CCOC(=O)c1ccc(N2C(=O)[C@@H]3C(c4ccc(F)cc4)=NOC3=C2[O-])cc1 ZINC000101360712 570820128 /nfs/dbraw/zinc/82/01/28/570820128.db2.gz SCJUYRNNRXKUMA-NVXWUHKLSA-N -1 3 382.347 2.295 50 0 GEAAHM Nc1nc([O-])c([C@@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)s1 ZINC000101485547 570824578 /nfs/dbraw/zinc/82/45/78/570824578.db2.gz ZESNDHYVMVOCKT-KBXCAEBGSA-N -1 3 387.848 2.031 50 0 GEAAHM Cc1nn(C)c(C)c1CN(C(=O)NCc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000534580809 570902563 /nfs/dbraw/zinc/90/25/63/570902563.db2.gz ZJOKVRVFKWNWNT-UHFFFAOYSA-N -1 3 380.456 2.091 50 0 GEAAHM Cc1nn(C)c(C)c1CN(C(=O)NCc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000534580809 570902565 /nfs/dbraw/zinc/90/25/65/570902565.db2.gz ZJOKVRVFKWNWNT-UHFFFAOYSA-N -1 3 380.456 2.091 50 0 GEAAHM NC(=O)[C@@H]1CCCCN1C(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000014085496 570903296 /nfs/dbraw/zinc/90/32/96/570903296.db2.gz RLOTWTCGKHYNCX-LBPRGKRZSA-N -1 3 395.485 2.379 50 0 GEAAHM COc1ccc([C@H]2[C@@H](S(=O)(=O)[N-]CCc3ccccc3)CON2C)cc1 ZINC000105049770 570913752 /nfs/dbraw/zinc/91/37/52/570913752.db2.gz RGHJVISWGBHVQI-OALUTQOASA-N -1 3 376.478 2.144 50 0 GEAAHM COc1ccc(Cl)cc1NC(=O)CSc1nc2c(nc(C)[n-]c2=O)n1C ZINC000085746593 570923581 /nfs/dbraw/zinc/92/35/81/570923581.db2.gz ZCJJIUVWDRURTQ-UHFFFAOYSA-N -1 3 393.856 2.358 50 0 GEAAHM O=C(c1cccc([O-])c1)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 ZINC000091321689 571003633 /nfs/dbraw/zinc/00/36/33/571003633.db2.gz GCHXZWBNDNLUPQ-OAQYLSRUSA-N -1 3 382.464 2.203 50 0 GEAAHM Cc1nc2ccccc2nc1CN1CC[C@H](N2CCOCC2)[C@H](CCC(=O)[O-])C1 ZINC000091943923 571037020 /nfs/dbraw/zinc/03/70/20/571037020.db2.gz GSBFOYWSVRDBJD-UTKZUKDTSA-N -1 3 398.507 2.326 50 0 GEAAHM O=C([O-])[C@H](c1ccc2c(c1)OCCO2)N1CCCN(Cc2ccccn2)CC1 ZINC000095358021 571053095 /nfs/dbraw/zinc/05/30/95/571053095.db2.gz YCAUGLWQAVYYNO-FQEVSTJZSA-N -1 3 383.448 2.186 50 0 GEAAHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cccc(C(=O)NC3CCCC3)c2)o1 ZINC000095361638 571055425 /nfs/dbraw/zinc/05/54/25/571055425.db2.gz BNQIZZASEVACCZ-LLVKDONJSA-N -1 3 378.454 2.090 50 0 GEAAHM COc1ccc([C@H](C(=O)[O-])N2CCCN(Cc3cccnc3)CC2)c(OC)c1 ZINC000095364385 571057562 /nfs/dbraw/zinc/05/75/62/571057562.db2.gz VJOSKOXFIPPCCN-HXUWFJFHSA-N -1 3 385.464 2.432 50 0 GEAAHM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(Cc1ccc(CCC(C)(C)O)cc1)CC2 ZINC000095384172 571069531 /nfs/dbraw/zinc/06/95/31/571069531.db2.gz IDATVMYHGFQJHC-SFHVURJKSA-N -1 3 388.508 2.288 50 0 GEAAHM CN1CCN([C@H]2CCN(C(=O)CCc3cccs3)C[C@H]2CCC(=O)[O-])CC1 ZINC000095522488 571088120 /nfs/dbraw/zinc/08/81/20/571088120.db2.gz CRMBVGMHOKBLRW-AEFFLSMTSA-N -1 3 393.553 2.010 50 0 GEAAHM O=c1sccn1Cc1cc(F)ccc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000888096765 654065869 /nfs/dbraw/zinc/06/58/69/654065869.db2.gz LOFGJUXHKKXWRX-CQSZACIVSA-N -1 3 386.470 2.408 50 0 GEAAHM Cc1noc(C)c1S(=O)(=O)[N-]CCCn1nc(C)c(Br)c1C ZINC000002788911 531506253 /nfs/dbraw/zinc/50/62/53/531506253.db2.gz QTAWCCAYJMNQCJ-UHFFFAOYSA-N -1 3 391.291 2.236 50 0 GEAAHM C[C@H](Sc1nnc2ccccn21)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000007026419 531537215 /nfs/dbraw/zinc/53/72/15/531537215.db2.gz SYVKLYTWWKLNOC-NSHDSACASA-N -1 3 376.463 2.464 50 0 GEAAHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1cc(-c2ccco2)n(C)n1 ZINC000090607019 531922951 /nfs/dbraw/zinc/92/29/51/531922951.db2.gz DEKIILYDHKBMJA-UHFFFAOYSA-N -1 3 381.435 2.007 50 0 GEAAHM CC(=O)Nc1ncc(S(=O)(=O)[N-]C[C@H](O)c2csc3ccccc23)s1 ZINC000225697500 532486989 /nfs/dbraw/zinc/48/69/89/532486989.db2.gz VEBYCKLHVALXDP-LBPRGKRZSA-N -1 3 397.503 2.328 50 0 GEAAHM O=S(=O)(Cc1noc2ccccc21)[N-][C@H](Cn1nccn1)c1ccccc1 ZINC000253395915 206281898 /nfs/dbraw/zinc/28/18/98/206281898.db2.gz CSRQLBBMQSQYHJ-MRXNPFEDSA-N -1 3 383.433 2.280 50 0 GEAAHM O=C(CCc1ccccc1Br)N1CCC(n2c([O-])coc2=O)CC1 ZINC000253399997 206282822 /nfs/dbraw/zinc/28/28/22/206282822.db2.gz KIQDWBWXRNFCLW-UHFFFAOYSA-N -1 3 395.253 2.352 50 0 GEAAHM COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000000662958 206314160 /nfs/dbraw/zinc/31/41/60/206314160.db2.gz BCEQAFYQTMMWMG-GFCCVEGCSA-N -1 3 385.214 2.306 50 0 biogenic,in-vitro GEAAHM O=S(=O)(Cc1ccccc1)[N-]c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000789855 206321625 /nfs/dbraw/zinc/32/16/25/206321625.db2.gz FSSIKJJGJOVINO-UHFFFAOYSA-N -1 3 380.491 2.413 50 0 GEAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)CCO3)cc1C ZINC000009828170 206372141 /nfs/dbraw/zinc/37/21/41/206372141.db2.gz XBWNQXQPXUUCLT-UHFFFAOYSA-N -1 3 376.434 2.269 50 0 GEAAHM CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)cc2C1=O ZINC000013843242 207003038 /nfs/dbraw/zinc/00/30/38/207003038.db2.gz NEAXXLREBWRVIW-UHFFFAOYSA-N -1 3 391.383 2.075 50 0 GEAAHM C[C@]1(c2ccco2)NC(=O)N([N-]C(=O)c2cccc(Br)c2)C1=O ZINC000014093115 207008775 /nfs/dbraw/zinc/00/87/75/207008775.db2.gz UCFXIYVWPINNCI-OAHLLOKOSA-N -1 3 378.182 2.154 50 0 GEAAHM Nc1nc([O-])c([C@@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)s1 ZINC000017878490 207090712 /nfs/dbraw/zinc/09/07/12/207090712.db2.gz ZESNDHYVMVOCKT-RDTXWAMCSA-N -1 3 387.848 2.031 50 0 GEAAHM Nc1nc([O-])c([C@]2(O)C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)s1 ZINC000017879075 207090836 /nfs/dbraw/zinc/09/08/36/207090836.db2.gz VRXJKPIOVFHCBO-KSSFIOAISA-N -1 3 387.848 2.031 50 0 GEAAHM Cc1ccc(S(=O)(=O)[N-][C@@]2(C(F)(F)F)N=C(c3ccccc3)NC2=O)cc1 ZINC000020069792 207176389 /nfs/dbraw/zinc/17/63/89/207176389.db2.gz JBHAFDMQSJFESM-INIZCTEOSA-N -1 3 397.378 2.109 50 0 GEAAHM COCCn1c2nc(-c3ccccc3[O-])cc(C(=O)OC)c2c(=O)[nH]c1=S ZINC000020615687 207208065 /nfs/dbraw/zinc/20/80/65/207208065.db2.gz OWQQQNAEYAXVHN-UHFFFAOYSA-N -1 3 387.417 2.260 50 0 GEAAHM CN(Cc1ccco1)S(=O)(=O)c1nnc([N-]C(=O)c2ccccc2F)s1 ZINC000020902187 207219533 /nfs/dbraw/zinc/21/95/33/207219533.db2.gz CZWQNYXJDVWYDO-UHFFFAOYSA-N -1 3 396.425 2.343 50 0 GEAAHM CN(Cc1nncn1C)Cc1ccccc1-c1nc([C@H]2CCCO2)cc(=O)[n-]1 ZINC000023580978 207279351 /nfs/dbraw/zinc/27/93/51/207279351.db2.gz NPHASAWXFCORNO-QGZVFWFLSA-N -1 3 380.452 2.049 50 0 GEAAHM CCS(=O)(=O)c1ncc(Br)c(C(=O)[N-]c2ccccc2F)n1 ZINC000027743048 207330942 /nfs/dbraw/zinc/33/09/42/207330942.db2.gz KSRUMQVYDIQPKW-UHFFFAOYSA-N -1 3 388.218 2.424 50 0 GEAAHM CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2n[n-]nc2c1 ZINC000077392997 208042386 /nfs/dbraw/zinc/04/23/86/208042386.db2.gz SBFRVLFQRQOMTE-SFHVURJKSA-N -1 3 377.448 2.440 50 0 GEAAHM Cn1c(CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)n[n-]c1=S ZINC000079015196 208068210 /nfs/dbraw/zinc/06/82/10/208068210.db2.gz JJBPLHNHFTWXIL-UHFFFAOYSA-N -1 3 392.554 2.391 50 0 GEAAHM CC(C)n1cccc1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCC(=O)[O-])C1 ZINC000091616761 208124911 /nfs/dbraw/zinc/12/49/11/208124911.db2.gz KJUQRBRAJQEUKV-MSOLQXFVSA-N -1 3 390.528 2.012 50 0 GEAAHM CN(Cc1cc(C2CC2)[nH]n1)C(=O)c1cnc(COc2ccccc2)[n-]c1=O ZINC000091595727 208126104 /nfs/dbraw/zinc/12/61/04/208126104.db2.gz CNSYDGDBPOIMNA-UHFFFAOYSA-N -1 3 379.420 2.222 50 0 GEAAHM Cc1cc(C(=O)NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)ccc1[O-] ZINC000091593754 208126461 /nfs/dbraw/zinc/12/64/61/208126461.db2.gz VDMQPHUPUCWTTE-UHFFFAOYSA-N -1 3 382.464 2.360 50 0 GEAAHM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(CCCC(=O)c1ccc(F)cc1)CC2 ZINC000095388989 208174864 /nfs/dbraw/zinc/17/48/64/208174864.db2.gz XQXOLUWJMHJZLZ-MRXNPFEDSA-N -1 3 376.428 2.186 50 0 GEAAHM O=C([O-])[C@@H]1CC(=O)NC12CCN(Cc1c[nH]nc1-c1ccc(Cl)cc1)CC2 ZINC000095392473 208179008 /nfs/dbraw/zinc/17/90/08/208179008.db2.gz AGKSQMAMGPNLHN-HNNXBMFYSA-N -1 3 388.855 2.285 50 0 GEAAHM C=Cc1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)cc1 ZINC000095501497 208202351 /nfs/dbraw/zinc/20/23/51/208202351.db2.gz MHQKTZLOIDPIIE-UXHICEINSA-N -1 3 385.508 2.273 50 0 GEAAHM Cc1ccc([O-])c(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)c1 ZINC000095519414 208218312 /nfs/dbraw/zinc/21/83/12/208218312.db2.gz VUORVICDOAMASM-UHFFFAOYSA-N -1 3 394.475 2.350 50 0 GEAAHM O=c1[n-]n(C2CCSCC2)c2c1[C@@H](c1ccc[nH]c1=O)SCC(=O)N2 ZINC000096117512 208264470 /nfs/dbraw/zinc/26/44/70/208264470.db2.gz FPHLOXKJCAGBRY-CYBMUJFWSA-N -1 3 378.479 2.120 50 0 GEAAHM CCn1c(Cn2cccn2)nnc1C1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000096160957 208282254 /nfs/dbraw/zinc/28/22/54/208282254.db2.gz LCIMFHARKVBXIG-UHFFFAOYSA-N -1 3 380.452 2.268 50 0 GEAAHM C[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[O-])N1CCN(C)CC1 ZINC000097002709 208333118 /nfs/dbraw/zinc/33/31/18/208333118.db2.gz PKCGPQMKSFRXPT-QGZVFWFLSA-N -1 3 383.492 2.337 50 0 GEAAHM COc1ccc([C@H](c2sc3ncnn3c2[O-])N2CCC(O)CC2)cc1OC ZINC000022609345 208850079 /nfs/dbraw/zinc/85/00/79/208850079.db2.gz HLNHGDQVTKAFFY-OAHLLOKOSA-N -1 3 390.465 2.060 50 0 GEAAHM CC(C)c1nc(S(=O)(=O)[N-]C[C@@H](O)c2ccc3c(ccn3C)c2)cn1C ZINC000244933347 209026229 /nfs/dbraw/zinc/02/62/29/209026229.db2.gz CMVULNDVDWGXMB-MRXNPFEDSA-N -1 3 376.482 2.047 50 0 GEAAHM NC(=O)C[C@@H](c1cccnc1Cl)c1oc(CN2CCCCC2)cc(=O)c1[O-] ZINC000252496521 209033999 /nfs/dbraw/zinc/03/39/99/209033999.db2.gz PKJKPQAVTWKDLB-AWEZNQCLSA-N -1 3 391.855 2.387 50 0 GEAAHM COC(=O)C[C@@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccc(OC)c(OC)c1 ZINC000008746646 221055360 /nfs/dbraw/zinc/05/53/60/221055360.db2.gz ZFKZBBBNYQZTMB-CQSZACIVSA-N -1 3 384.392 2.009 50 0 GEAAHM C[C@]1(c2ccc(C(=O)OCCN3CCCc4ccccc43)cc2)NC(=O)[N-]C1=O ZINC000095442569 136179133 /nfs/dbraw/zinc/17/91/33/136179133.db2.gz BXHRUNZUUKLMRT-JOCHJYFZSA-N -1 3 393.443 2.351 50 0 GEAAHM C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000072308221 222221881 /nfs/dbraw/zinc/22/18/81/222221881.db2.gz IPTMUTRIMWIJJW-ZDUSSCGKSA-N -1 3 388.855 2.226 50 0 GEAAHM CC[C@@H](C)N(CC(=O)[O-])CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000237075069 570327038 /nfs/dbraw/zinc/32/70/38/570327038.db2.gz UWUBJOGWANLAHX-GOSISDBHSA-N -1 3 375.513 2.214 50 0 GEAAHM O=S(=O)([N-]Cc1nc(C2CCOCC2)no1)c1ccccc1C(F)(F)F ZINC000575605189 570328747 /nfs/dbraw/zinc/32/87/47/570328747.db2.gz ASOFDNBTTOULLK-UHFFFAOYSA-N -1 3 391.371 2.461 50 0 GEAAHM COc1ccccc1CC[N-]S(=O)(=O)[C@@H]1CON(C)[C@H]1c1cccc(F)c1 ZINC000034739335 570330735 /nfs/dbraw/zinc/33/07/35/570330735.db2.gz PIQBPVOJQVSYIJ-MOPGFXCFSA-N -1 3 394.468 2.283 50 0 GEAAHM Cc1ccc(Cl)cc1NC(=O)CC[N-]S(=O)(=O)c1cccc2nonc21 ZINC000003665241 570349994 /nfs/dbraw/zinc/34/99/94/570349994.db2.gz OOOMGKITTSWYGV-UHFFFAOYSA-N -1 3 394.840 2.492 50 0 GEAAHM CCOCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000004201736 570363075 /nfs/dbraw/zinc/36/30/75/570363075.db2.gz CTEJUHCOBLCPAT-AWEZNQCLSA-N -1 3 384.816 2.262 50 0 GEAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cn(-c2ccsc2)nn1 ZINC000575618959 570365093 /nfs/dbraw/zinc/36/50/93/570365093.db2.gz KMAKONCGKUXUAQ-UHFFFAOYSA-N -1 3 384.870 2.469 50 0 GEAAHM Cc1cccc(C(=O)N2CCc3[nH]c(-c4ccc(C(N)=O)cc4)nc3C2)c1[O-] ZINC000223487470 570468397 /nfs/dbraw/zinc/46/83/97/570468397.db2.gz ANZOWEXWTDUGOU-UHFFFAOYSA-N -1 3 376.416 2.388 50 0 GEAAHM Cc1cccc(C(=O)N2CCc3nc(-c4ccc(C(N)=O)cc4)[nH]c3C2)c1[O-] ZINC000223487470 570468401 /nfs/dbraw/zinc/46/84/01/570468401.db2.gz ANZOWEXWTDUGOU-UHFFFAOYSA-N -1 3 376.416 2.388 50 0 GEAAHM CC[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000035610359 570555949 /nfs/dbraw/zinc/55/59/49/570555949.db2.gz CZGAGZRJLFEJBK-QMMMGPOBSA-N -1 3 387.093 2.261 50 0 GEAAHM O=C1N[C@H](c2ccc(O)cc2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000012139893 570614855 /nfs/dbraw/zinc/61/48/55/570614855.db2.gz XARPOSJFZZXPCU-VBQJREDUSA-N -1 3 380.322 2.496 50 0 GEAAHM O=C(Nc1ccccc1F)c1nnc(C[N-]S(=O)(=O)c2ccccc2)s1 ZINC000064991752 570637849 /nfs/dbraw/zinc/63/78/49/570637849.db2.gz UDDPCQRBPFNVSM-UHFFFAOYSA-N -1 3 392.437 2.408 50 0 GEAAHM COc1cccc([C@H]2[C@H](S(=O)(=O)[N-]Cc3cccc(C)c3)CON2C)c1 ZINC000169793582 570701891 /nfs/dbraw/zinc/70/18/91/570701891.db2.gz MJVXRGVBIOLRQX-MOPGFXCFSA-N -1 3 376.478 2.410 50 0 GEAAHM COCCCn1cnnc1SCc1nc(=O)c2c(C)c(C(C)=O)sc2[n-]1 ZINC000013598130 570762107 /nfs/dbraw/zinc/76/21/07/570762107.db2.gz MYBQBMHDTBAWTQ-UHFFFAOYSA-N -1 3 393.494 2.416 50 0 GEAAHM Cn1nc([C@H]2CCCN(C(=O)c3cccc([O-])c3)C2)n(-c2ccccc2)c1=O ZINC000067690375 570786781 /nfs/dbraw/zinc/78/67/81/570786781.db2.gz HPCJSHGTSCBKGJ-INIZCTEOSA-N -1 3 378.432 2.296 50 0 GEAAHM O=C(NN1C(=O)/C(=C2\C(=O)Nc3ccccc32)SC1=S)c1cccc([O-])c1 ZINC000002452549 570793079 /nfs/dbraw/zinc/79/30/79/570793079.db2.gz OUFODYCVMGVEJG-BUHFOSPRSA-N -1 3 397.437 2.261 50 0 GEAAHM O=C(c1cc(=O)[n-]c(=O)[nH]1)N1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000067842472 570793385 /nfs/dbraw/zinc/79/33/85/570793385.db2.gz WHBGRMNVUXXXRN-LBPRGKRZSA-N -1 3 383.383 2.025 50 0 GEAAHM O=C(c1cc(=O)[n-]c(=O)[nH]1)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)cc2)C1 ZINC000067842472 570793389 /nfs/dbraw/zinc/79/33/89/570793389.db2.gz WHBGRMNVUXXXRN-LBPRGKRZSA-N -1 3 383.383 2.025 50 0 GEAAHM Cc1ccc(-n2c(=O)[nH]c([O-])c([C@@H]3NCCc4c5ccccc5[nH]c43)c2=O)cc1 ZINC000018207570 570810393 /nfs/dbraw/zinc/81/03/93/570810393.db2.gz BXSUVJQQQZQDDJ-IBGZPJMESA-N -1 3 388.427 2.256 50 0 GEAAHM Cc1ccc(-n2c([O-])c([C@@H]3NCCc4c5ccccc5[nH]c43)c(=O)[nH]c2=O)cc1 ZINC000018207570 570810395 /nfs/dbraw/zinc/81/03/95/570810395.db2.gz BXSUVJQQQZQDDJ-IBGZPJMESA-N -1 3 388.427 2.256 50 0 GEAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1)Nc1nccs1 ZINC000004660702 570810668 /nfs/dbraw/zinc/81/06/68/570810668.db2.gz IIGPCPYFLZHFJR-UHFFFAOYSA-N -1 3 384.446 2.296 50 0 GEAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1)Nc1nccs1 ZINC000004660702 570810669 /nfs/dbraw/zinc/81/06/69/570810669.db2.gz IIGPCPYFLZHFJR-UHFFFAOYSA-N -1 3 384.446 2.296 50 0 GEAAHM Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc([O-])cc2)c(=O)n(-c2ccccc2)n1C ZINC000005693683 570813304 /nfs/dbraw/zinc/81/33/04/570813304.db2.gz VBPWXRYZOUUSGW-CQSZACIVSA-N -1 3 395.415 2.374 50 0 GEAAHM CCN1CCN(CCC[N-]S(=O)(=O)c2cc(-c3cc(C)no3)cs2)CC1 ZINC000033169529 570838359 /nfs/dbraw/zinc/83/83/59/570838359.db2.gz AQCWGJHZOPSAFK-UHFFFAOYSA-N -1 3 398.554 2.017 50 0 GEAAHM O=C(c1ccc2c3c(cccc31)CC2)[C@@H]1CCCN(Cc2cc(=O)[n-]c(=O)[nH]2)C1 ZINC000071760047 570849605 /nfs/dbraw/zinc/84/96/05/570849605.db2.gz FRCOFJDUDNFGAE-MRXNPFEDSA-N -1 3 389.455 2.410 50 0 GEAAHM CC[C@H](C(=O)N1CCc2c(=O)[n-]cnc2C1)n1cc(C(C)=O)c2ccccc21 ZINC000072169009 570876994 /nfs/dbraw/zinc/87/69/94/570876994.db2.gz SKFOYCWXHLDYAX-GOSISDBHSA-N -1 3 378.432 2.463 50 0 GEAAHM CCN(Cc1ccncc1)[C@H]1CCCN(C(=O)c2cnc(C(C)C)[n-]c2=O)C1 ZINC000072174125 570878044 /nfs/dbraw/zinc/87/80/44/570878044.db2.gz UKBILSOTQXGPFB-KRWDZBQOSA-N -1 3 383.496 2.415 50 0 GEAAHM C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ncccc2[O-])C1=O ZINC000022262564 570885187 /nfs/dbraw/zinc/88/51/87/570885187.db2.gz VHEDHVCJBBFUPB-OAQYLSRUSA-N -1 3 390.399 2.346 50 0 GEAAHM CC(C)CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)C(=O)NCCc2ccccc2)N1 ZINC000004173694 570974672 /nfs/dbraw/zinc/97/46/72/570974672.db2.gz YPWFHVUBNRKHCE-QGZVFWFLSA-N -1 3 385.386 2.231 50 0 GEAAHM O=C(NCCc1cccs1)C1CCN(C(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000063252493 570997334 /nfs/dbraw/zinc/99/73/34/570997334.db2.gz QFTVJDDHWTZQED-UHFFFAOYSA-N -1 3 383.477 2.231 50 0 GEAAHM CCOc1cc(C=c2sc(=CC(=O)C(C)(C)C)[nH]c2=O)cc(Cl)c1[O-] ZINC000254493572 645572547 /nfs/dbraw/zinc/57/25/47/645572547.db2.gz FXAINEDGWODDGN-UHFFFAOYSA-N -1 3 381.881 2.419 50 0 GEAAHM CCc1nnc([N-]C(=O)c2cccc(C(=O)Nc3nnc(CC)s3)n2)s1 ZINC000017028912 230897669 /nfs/dbraw/zinc/89/76/69/230897669.db2.gz OYFMNTJVLCVUTF-UHFFFAOYSA-N -1 3 389.466 2.414 50 0 GEAAHM O=C(CC[N-]S(=O)(=O)c1cccc2nonc21)Nc1ccc(Cl)cc1 ZINC000002457735 531502990 /nfs/dbraw/zinc/50/29/90/531502990.db2.gz PNEHQUNNEWZPNO-UHFFFAOYSA-N -1 3 380.813 2.183 50 0 GEAAHM COc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1N(C)S(C)(=O)=O ZINC000006590779 531528904 /nfs/dbraw/zinc/52/89/04/531528904.db2.gz VDPPNBHBLQQOTG-UHFFFAOYSA-N -1 3 384.479 2.200 50 0 GEAAHM CC1=C[C@]([O-])(C(F)(F)F)N(S(=O)(=O)c2ccc(Br)cc2)N1 ZINC000006849493 531531249 /nfs/dbraw/zinc/53/12/49/531531249.db2.gz PXDYCECWTIGGRV-JTQLQIEISA-N -1 3 387.177 2.470 50 0 GEAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000007057044 531537121 /nfs/dbraw/zinc/53/71/21/531537121.db2.gz SUJXDRGREYXBAW-UHFFFAOYSA-N -1 3 384.479 2.055 50 0 GEAAHM O=c1cccnn1CCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000023137499 531593772 /nfs/dbraw/zinc/59/37/72/531593772.db2.gz YTYUAXWVWAZAEM-UHFFFAOYSA-N -1 3 395.790 2.284 50 0 GEAAHM CC(=O)N(C[C@H]1CCCO1)c1nc(C)c(C(=O)[N-]c2nnc(C)s2)s1 ZINC000044892533 531688589 /nfs/dbraw/zinc/68/85/89/531688589.db2.gz AOENFIBXRYIZPH-LLVKDONJSA-N -1 3 381.483 2.396 50 0 GEAAHM NC(=O)c1ccn(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000058232436 531828872 /nfs/dbraw/zinc/82/88/72/531828872.db2.gz DIEBYTTVMSMHKY-UHFFFAOYSA-N -1 3 376.825 2.425 50 0 GEAAHM CC(C)n1cnc(S(=O)(=O)[N-]C[C@](O)(c2ccco2)c2cccs2)c1 ZINC000225590487 532488343 /nfs/dbraw/zinc/48/83/43/532488343.db2.gz VDJVCYIBYRTCEV-INIZCTEOSA-N -1 3 381.479 2.333 50 0 GEAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1ccccc1N(Cc1ccccc1)C2=O ZINC000000806610 206322531 /nfs/dbraw/zinc/32/25/31/206322531.db2.gz XNTSAUQEDKIIRU-FQEVSTJZSA-N -1 3 394.456 2.389 50 0 GEAAHM CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc(Br)c1[O-] ZINC000001184914 206365820 /nfs/dbraw/zinc/36/58/20/206365820.db2.gz QKVWVOSCNSWBOE-GFCCVEGCSA-N -1 3 385.214 2.354 50 0 GEAAHM COc1ccccc1N1C(=O)[C@@H]2SCC(=O)N(c3ccc(C)cc3)C2=C1[O-] ZINC000006755692 206672232 /nfs/dbraw/zinc/67/22/32/206672232.db2.gz NTVDHCALTRDEQB-ZWKOTPCHSA-N -1 3 382.441 2.394 50 0 GEAAHM O=C(Cn1[n-]c(=O)c2ccccc2c1=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000014201885 207014746 /nfs/dbraw/zinc/01/47/46/207014746.db2.gz QNOAYZCOMKPMOD-KRWDZBQOSA-N -1 3 396.447 2.039 50 0 GEAAHM CN(C)C(=O)c1ccc(NCCC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000036646380 207059106 /nfs/dbraw/zinc/05/91/06/207059106.db2.gz FFSBBZXZTNKAEC-UHFFFAOYSA-N -1 3 389.477 2.445 50 0 GEAAHM O=C(CC[C@H]1NC(=O)[N-]C1=O)OCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000019001364 207099570 /nfs/dbraw/zinc/09/95/70/207099570.db2.gz NHWWGZNAZCSKPX-MRXNPFEDSA-N -1 3 393.484 2.012 50 0 GEAAHM COCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccc(Cl)cc1)C3 ZINC000019821141 207164662 /nfs/dbraw/zinc/16/46/62/207164662.db2.gz IAWCPHQNWSCLNM-GFCCVEGCSA-N -1 3 399.834 2.297 50 0 GEAAHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)cc1 ZINC000020674143 207209948 /nfs/dbraw/zinc/20/99/48/207209948.db2.gz WLOREKSUBVMZPC-CQSZACIVSA-N -1 3 381.436 2.133 50 0 GEAAHM CC(C)CCNC(=O)[C@H]1CCCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)C1 ZINC000021706520 207234752 /nfs/dbraw/zinc/23/47/52/207234752.db2.gz TUOPQWQYJBZBMF-INIZCTEOSA-N -1 3 395.525 2.073 50 0 GEAAHM COCCN1c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2CCC1=O ZINC000022688426 207260090 /nfs/dbraw/zinc/26/00/90/207260090.db2.gz QNROURWBZJDVPT-UHFFFAOYSA-N -1 3 390.461 2.422 50 0 GEAAHM CCOC(=O)c1c([N-]C(=O)COC(=O)C2(O)CCCCC2)oc(C)c1C(C)=O ZINC000023077093 207269095 /nfs/dbraw/zinc/26/90/95/207269095.db2.gz HYQCUCWMRPUEHX-UHFFFAOYSA-N -1 3 395.408 2.144 50 0 GEAAHM CCN(Cc1cnn(C)c1)Cc1cccc(-c2nc(CCOC)cc(=O)[n-]2)c1 ZINC000023369320 207275204 /nfs/dbraw/zinc/27/52/04/207275204.db2.gz JJDFLNAURDEDLK-UHFFFAOYSA-N -1 3 381.480 2.381 50 0 GEAAHM Cc1nc(C2CCN(Cc3ccc(Sc4nncn4C)o3)CC2)cc(=O)[n-]1 ZINC000023542747 207279135 /nfs/dbraw/zinc/27/91/35/207279135.db2.gz CDJCZLNRAXOEJK-UHFFFAOYSA-N -1 3 386.481 2.331 50 0 GEAAHM CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc2n[n-]nc2c1 ZINC000024981826 207298473 /nfs/dbraw/zinc/29/84/73/207298473.db2.gz QZSNIELHRKEUJY-UHFFFAOYSA-N -1 3 388.225 2.431 50 0 GEAAHM Cc1nc(C)c(CCC(=O)OCC(=O)N[C@H](C)c2cc3ccccc3o2)c(=O)[n-]1 ZINC000026003675 207308914 /nfs/dbraw/zinc/30/89/14/207308914.db2.gz ICGBVXYNKVSGOQ-CYBMUJFWSA-N -1 3 397.431 2.486 50 0 GEAAHM COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000031617886 207383380 /nfs/dbraw/zinc/38/33/80/207383380.db2.gz IZPJWDBLZWLPIK-GFCCVEGCSA-N -1 3 389.477 2.451 50 0 GEAAHM COc1ccc([N-]S(=O)(=O)CC2=NC(=O)n3cccc3C2=O)cc1Cl ZINC000032611907 207399210 /nfs/dbraw/zinc/39/92/10/207399210.db2.gz IYUZYOKUPIEPRR-UHFFFAOYSA-N -1 3 381.797 2.197 50 0 GEAAHM CCCn1c2ccccc2n(CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1=O ZINC000071088917 207930918 /nfs/dbraw/zinc/93/09/18/207930918.db2.gz DRRUYCJAXQJVNI-UHFFFAOYSA-N -1 3 391.435 2.422 50 0 GEAAHM CCCn1c2ccccc2n(CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1=O ZINC000071088917 207930924 /nfs/dbraw/zinc/93/09/24/207930924.db2.gz DRRUYCJAXQJVNI-UHFFFAOYSA-N -1 3 391.435 2.422 50 0 GEAAHM O=C(c1ccccc1-c1nnn[n-]1)N1CCC([C@@H](O)Cc2ccccc2)CC1 ZINC000077407288 208044071 /nfs/dbraw/zinc/04/40/71/208044071.db2.gz VJGJCGZZGFUATB-IBGZPJMESA-N -1 3 377.448 2.323 50 0 GEAAHM O=C(c1ccccc1-c1nn[n-]n1)N1CCC([C@@H](O)Cc2ccccc2)CC1 ZINC000077407288 208044076 /nfs/dbraw/zinc/04/40/76/208044076.db2.gz VJGJCGZZGFUATB-IBGZPJMESA-N -1 3 377.448 2.323 50 0 GEAAHM O=S(=O)([N-]Cc1cc2n(n1)CCCNC2)c1cc(Cl)c(Cl)s1 ZINC000082147668 208081890 /nfs/dbraw/zinc/08/18/90/208081890.db2.gz QKIAKTHOZSSMBB-UHFFFAOYSA-N -1 3 381.310 2.223 50 0 GEAAHM NC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)c2c([O-])ccc3ccccc32)C1 ZINC000095506289 208207535 /nfs/dbraw/zinc/20/75/35/208207535.db2.gz UTGMCTPMSKKYLZ-OAHLLOKOSA-N -1 3 378.432 2.247 50 0 GEAAHM CCc1nc(C)sc1CN1CC[C@H](N2CCOCC2)[C@H](CCC(=O)[O-])C1 ZINC000095392089 208179398 /nfs/dbraw/zinc/17/93/98/208179398.db2.gz BOMIMADBFBXLKG-WBVHZDCISA-N -1 3 381.542 2.401 50 0 GEAAHM COc1ccc([C@@H](C)NC(=O)[C@@H]2CC(=O)[N-]N(C(=O)OC(C)(C)C)C2)cc1F ZINC000095456779 208186825 /nfs/dbraw/zinc/18/68/25/208186825.db2.gz RJRWTUXVNWOICE-DGCLKSJQSA-N -1 3 395.431 2.300 50 0 GEAAHM Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCCN(C(=O)c2cnc[n-]c2=O)C1 ZINC000095503096 208205540 /nfs/dbraw/zinc/20/55/40/208205540.db2.gz JTQHAKYHMHCPFY-AWEZNQCLSA-N -1 3 386.427 2.489 50 0 GEAAHM O=C(c1ccncc1[O-])N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095511257 208214940 /nfs/dbraw/zinc/21/49/40/208214940.db2.gz DUEQBGQNPFLIKE-ZLGUVYLKSA-N -1 3 393.443 2.218 50 0 GEAAHM O=C([O-])c1ccc(CN2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)cc1 ZINC000095524301 208224648 /nfs/dbraw/zinc/22/46/48/208224648.db2.gz DRDXVALDNFXPPZ-UHFFFAOYSA-N -1 3 394.475 2.394 50 0 GEAAHM O=C([O-])c1ccc(CN2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CC2)cc1 ZINC000095524301 208224652 /nfs/dbraw/zinc/22/46/52/208224652.db2.gz DRDXVALDNFXPPZ-UHFFFAOYSA-N -1 3 394.475 2.394 50 0 GEAAHM Cn1c(Cn2cccn2)nnc1C1CCN(Cc2ccccc2C(=O)[O-])CC1 ZINC000096166981 208283148 /nfs/dbraw/zinc/28/31/48/208283148.db2.gz GCYSWPFRXZTNKW-UHFFFAOYSA-N -1 3 380.452 2.138 50 0 GEAAHM [O-]C(c1ccccc1)=C1[C@@H](c2cccnc2)NC(=S)N[C@]1(O)C(F)(F)F ZINC000004338086 208543264 /nfs/dbraw/zinc/54/32/64/208543264.db2.gz LKOSKKKYWCAGOJ-WOSRLPQWSA-N -1 3 381.379 2.350 50 0 GEAAHM O=C(Nc1ccc(OC(F)F)cc1)c1cnc2c(c1)c(=O)[n-]c(=O)n2C1CC1 ZINC000029607089 208964504 /nfs/dbraw/zinc/96/45/04/208964504.db2.gz FJBVAGNPFVZXKG-UHFFFAOYSA-N -1 3 388.330 2.273 50 0 GEAAHM Cn1c2cc(Cl)c(S(=O)(=O)[N-]Cc3ccc(F)cc3)cc2n(C)c1=O ZINC000064976630 209002169 /nfs/dbraw/zinc/00/21/69/209002169.db2.gz WNYRVZMRFGTXCS-UHFFFAOYSA-N -1 3 383.832 2.148 50 0 GEAAHM CCCCc1nc(C)sc1C(=O)N=c1cc(C)[n-]n1[C@H]1CCS(=O)(=O)C1 ZINC000334159163 209095955 /nfs/dbraw/zinc/09/59/55/209095955.db2.gz JVWMLNGXFMUHEP-ZDUSSCGKSA-N -1 3 396.538 2.333 50 0 GEAAHM CNc1cc([C@H]2C[C@H]([N-]S(=O)(=O)c3ccccc3F)C2)nc(COC)n1 ZINC000244873267 209024130 /nfs/dbraw/zinc/02/41/30/209024130.db2.gz WMWGRUOMOZKLFF-HAQNSBGRSA-N -1 3 380.445 2.028 50 0 GEAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CC[C@@H](Oc2nc(C)cc(C)n2)CC1 ZINC000252537732 209037059 /nfs/dbraw/zinc/03/70/59/209037059.db2.gz MDXOOWWKFXFCCL-SHTZXODSSA-N -1 3 380.470 2.367 50 0 GEAAHM COc1cc(S(=O)(=O)N[C@H]2C[C@@H](c3cc(=O)[n-]c(C)n3)C2)c(C)cc1C ZINC000253534957 209042579 /nfs/dbraw/zinc/04/25/79/209042579.db2.gz ZYARRPOBIVWVRY-OKILXGFUSA-N -1 3 377.466 2.341 50 0 GEAAHM COc1ccc2c(c1)N(C(=O)OCc1ccccc1)CC[C@]21NC(=O)[N-]C1=O ZINC000071257106 136165437 /nfs/dbraw/zinc/16/54/37/136165437.db2.gz LOYXLECEVZTADB-FQEVSTJZSA-N -1 3 381.388 2.277 50 0 GEAAHM C[C@@]1(c2ccc(C(=O)OCCN3CCCc4ccccc43)cc2)NC(=O)[N-]C1=O ZINC000095442568 136179068 /nfs/dbraw/zinc/17/90/68/136179068.db2.gz BXHRUNZUUKLMRT-QFIPXVFZSA-N -1 3 393.443 2.351 50 0 GEAAHM Cc1nc([C@H]2CCCN(C(=O)Nc3ccc4c(c3)oc(=O)n4C)C2)cc(=O)[n-]1 ZINC000426477604 534503164 /nfs/dbraw/zinc/50/31/64/534503164.db2.gz RWMLUXUDAAKFNY-LBPRGKRZSA-N -1 3 383.408 2.347 50 0 GEAAHM O=C([O-])Cn1nccc1[C@@H]1CCCN(Cc2cnc(N3CCCC3)s2)C1 ZINC000426545031 534512326 /nfs/dbraw/zinc/51/23/26/534512326.db2.gz KBXWSBBQLXWAKT-CQSZACIVSA-N -1 3 375.498 2.404 50 0 GEAAHM COc1ccc2c(c1)CCCN2C(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C1CC1 ZINC000043481832 536969319 /nfs/dbraw/zinc/96/93/19/536969319.db2.gz VDRUHLXXDXGDPG-UHFFFAOYSA-N -1 3 392.415 2.021 50 0 GEAAHM COc1ccc(NC(=O)CSc2nc3c(nc[n-]c3=O)n2C)cc1Cl ZINC000012427848 560211993 /nfs/dbraw/zinc/21/19/93/560211993.db2.gz URCCKBMTYIBAAH-UHFFFAOYSA-N -1 3 379.829 2.049 50 0 biogenic,in-vitro GEAAHM COc1cc(NC(=O)CCc2c(C)[nH]c(=S)[n-]c2=O)cc(OC)c1OC ZINC000012894908 570286578 /nfs/dbraw/zinc/28/65/78/570286578.db2.gz QHVPPCJYOCVJHF-UHFFFAOYSA-N -1 3 379.438 2.338 50 0 GEAAHM CS(=O)(=O)[N-]c1cc(NC(=O)CCn2c(=O)oc3ccccc32)ccc1F ZINC000012939546 570313975 /nfs/dbraw/zinc/31/39/75/570313975.db2.gz LIQMMQPEQYCWEX-UHFFFAOYSA-N -1 3 393.396 2.134 50 0 GEAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000005075417 570411773 /nfs/dbraw/zinc/41/17/73/570411773.db2.gz FQHSZLUSOYVSHP-UHFFFAOYSA-N -1 3 382.463 2.036 50 0 GEAAHM Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)[N-]c1ccccc1F ZINC000011904642 570445899 /nfs/dbraw/zinc/44/58/99/570445899.db2.gz RBTABWBGOXROCG-UHFFFAOYSA-N -1 3 398.437 2.001 50 0 GEAAHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 ZINC000011906350 570445913 /nfs/dbraw/zinc/44/59/13/570445913.db2.gz LAAPTTYLJVXXPU-UHFFFAOYSA-N -1 3 394.474 2.171 50 0 GEAAHM COc1ccccc1CN1CCN(c2nc(CN3CCCCC3)cc(=O)[n-]2)CC1 ZINC000035925338 570479582 /nfs/dbraw/zinc/47/95/82/570479582.db2.gz DMFGTMNAEDGBAK-UHFFFAOYSA-N -1 3 397.523 2.087 50 0 GEAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(-n3cnnn3)c2)cc1Cl ZINC000072301177 570504874 /nfs/dbraw/zinc/50/48/74/570504874.db2.gz ASTZWWHOSZURIM-UHFFFAOYSA-N -1 3 395.828 2.134 50 0 GEAAHM CCOc1ccc(NC(=O)[C@@H]2C=C([O-])NC(N3CCc4ccccc43)=N2)cc1 ZINC000009015997 570546855 /nfs/dbraw/zinc/54/68/55/570546855.db2.gz FCYILKFBIWVPGA-KRWDZBQOSA-N -1 3 378.432 2.331 50 0 GEAAHM O=c1[nH]c(N2CCN(Cc3ccccc3)CC2)nc([O-])c1Cc1ccccc1 ZINC000009108732 570549548 /nfs/dbraw/zinc/54/95/48/570549548.db2.gz VJWDFYHLSQFQQB-UHFFFAOYSA-N -1 3 376.460 2.389 50 0 GEAAHM Nn1c(SCCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1[O-] ZINC000009695093 570560745 /nfs/dbraw/zinc/56/07/45/570560745.db2.gz MVRKOTRNCZGVKO-UHFFFAOYSA-N -1 3 399.432 2.214 50 0 GEAAHM CCN(CCCNC(=O)c1c([O-])nc2cc(C)ccn2c1=O)c1ccccc1 ZINC000009830186 570561498 /nfs/dbraw/zinc/56/14/98/570561498.db2.gz WWPUBQAYOVKRNN-UHFFFAOYSA-N -1 3 380.448 2.355 50 0 GEAAHM CCCN1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)COC)ccc3n2)CC1 ZINC000033010373 570622388 /nfs/dbraw/zinc/62/23/88/570622388.db2.gz QDKWJAXPCJOXCP-UHFFFAOYSA-N -1 3 386.452 2.050 50 0 GEAAHM CC[C@@H]1CN(Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[n-]3)cc2)CCO1 ZINC000048315060 570657244 /nfs/dbraw/zinc/65/72/44/570657244.db2.gz MLQZLDRYVMTMQQ-HXUWFJFHSA-N -1 3 393.491 2.487 50 0 GEAAHM O=S(=O)([N-]Cc1ccccc1CN1CCOCC1)c1ccc(F)cc1F ZINC000012806307 570719016 /nfs/dbraw/zinc/71/90/16/570719016.db2.gz RRSLVBVATJOBPY-UHFFFAOYSA-N -1 3 382.432 2.276 50 0 GEAAHM O=S(=O)([N-]Cc1ccc(CN2CCOCC2)cc1)c1ccc(F)c(F)c1 ZINC000012996923 570739960 /nfs/dbraw/zinc/73/99/60/570739960.db2.gz LFOKDAGHJJTMEZ-UHFFFAOYSA-N -1 3 382.432 2.276 50 0 GEAAHM C[C@H](CCc1ccccc1)NS(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2 ZINC000067772831 570790745 /nfs/dbraw/zinc/79/07/45/570790745.db2.gz SVTAJHGGUWAVIO-GFCCVEGCSA-N -1 3 394.518 2.392 50 0 GEAAHM Cc1cc(=O)[n-]c(CNC(=O)c2coc(COc3ccc(F)cc3Cl)n2)n1 ZINC000067850334 570794068 /nfs/dbraw/zinc/79/40/68/570794068.db2.gz AZABRRDWNBECJG-UHFFFAOYSA-N -1 3 392.774 2.368 50 0 GEAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000032768115 570802955 /nfs/dbraw/zinc/80/29/55/570802955.db2.gz IYKCSZCISTVYSA-MLGOLLRUSA-N -1 3 377.466 2.152 50 0 GEAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1)NCc1ccco1 ZINC000004660660 570810621 /nfs/dbraw/zinc/81/06/21/570810621.db2.gz MGGLHEYCQHQSEY-UHFFFAOYSA-N -1 3 381.417 2.110 50 0 GEAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1)NCc1ccco1 ZINC000004660660 570810624 /nfs/dbraw/zinc/81/06/24/570810624.db2.gz MGGLHEYCQHQSEY-UHFFFAOYSA-N -1 3 381.417 2.110 50 0 GEAAHM COC(=O)c1ccccc1-n1c([O-])c2onc(-c3ccccc3Cl)c2c1O ZINC000101493668 570825088 /nfs/dbraw/zinc/82/50/88/570825088.db2.gz RJJXGHSBHAABBR-ZBFHGGJFSA-N -1 3 384.775 2.419 50 0 GEAAHM COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)N[C@H](c1ccccc1)C(C)C ZINC000032858374 570856016 /nfs/dbraw/zinc/85/60/16/570856016.db2.gz DRZNBPPJKZCCPU-INIZCTEOSA-N -1 3 389.477 2.471 50 0 GEAAHM C[C@H](NC(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1)c1nnn[n-]1 ZINC000072161667 570875867 /nfs/dbraw/zinc/87/58/67/570875867.db2.gz RECKTRZWMHQGFL-INIZCTEOSA-N -1 3 390.491 2.089 50 0 GEAAHM C[C@H](NC(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1)c1nn[n-]n1 ZINC000072161667 570875868 /nfs/dbraw/zinc/87/58/68/570875868.db2.gz RECKTRZWMHQGFL-INIZCTEOSA-N -1 3 390.491 2.089 50 0 GEAAHM O=C([O-])[C@H]1C[C@@H](C(=O)NCc2cccnc2)CN(C/C=C/c2ccccc2)C1 ZINC000072167718 570876986 /nfs/dbraw/zinc/87/69/86/570876986.db2.gz CMDYFDLFDPYXCN-OIJNNWEZSA-N -1 3 379.460 2.434 50 0 GEAAHM C[C@H]1Sc2ccc(C(=O)[N-]N3C(=O)NC4(CCCCC4)C3=O)cc2NC1=O ZINC000009996074 570890824 /nfs/dbraw/zinc/89/08/24/570890824.db2.gz BGKZDNKHNGSIGK-SNVBAGLBSA-N -1 3 388.449 2.019 50 0 GEAAHM O=c1[n-]c(-c2ccc(F)cc2)nc2c1CCN(S(=O)(=O)c1cccs1)C2 ZINC000097112572 570896005 /nfs/dbraw/zinc/89/60/05/570896005.db2.gz BNLWFSHUCLXRQJ-UHFFFAOYSA-N -1 3 391.449 2.385 50 0 GEAAHM Cc1cc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccccc2)no1 ZINC000051316747 570908365 /nfs/dbraw/zinc/90/83/65/570908365.db2.gz PZKNXVUYGGPROL-UHFFFAOYSA-N -1 3 382.405 2.136 50 0 GEAAHM Cc1cc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccccc2)no1 ZINC000051316747 570908367 /nfs/dbraw/zinc/90/83/67/570908367.db2.gz PZKNXVUYGGPROL-UHFFFAOYSA-N -1 3 382.405 2.136 50 0 GEAAHM O=C(NCc1nnn[n-]1)c1ccc(-c2ccc(CN3CCCCC3)cn2)cc1 ZINC000534636932 570911735 /nfs/dbraw/zinc/91/17/35/570911735.db2.gz ZGQIQEVVWPTSIK-UHFFFAOYSA-N -1 3 377.452 2.178 50 0 GEAAHM O=C(NCc1nn[n-]n1)c1ccc(-c2ccc(CN3CCCCC3)cn2)cc1 ZINC000534636932 570911736 /nfs/dbraw/zinc/91/17/36/570911736.db2.gz ZGQIQEVVWPTSIK-UHFFFAOYSA-N -1 3 377.452 2.178 50 0 GEAAHM CCCNC(=O)c1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000004742701 570956848 /nfs/dbraw/zinc/95/68/48/570956848.db2.gz HPRTXWITZJAATN-UHFFFAOYSA-N -1 3 375.450 2.450 50 0 GEAAHM COc1cccc([C@@H]2[C@H](S(=O)(=O)[N-]C3CCCCC3)CON2C)c1OC ZINC000037553228 571030548 /nfs/dbraw/zinc/03/05/48/571030548.db2.gz DNGVFQDMUILXER-IAGOWNOFSA-N -1 3 384.498 2.243 50 0 GEAAHM Cc1cc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)c2c(=O)[n-]c(=O)n(C)c2n1 ZINC000426396634 231214131 /nfs/dbraw/zinc/21/41/31/231214131.db2.gz PMVVMCNBIHQPMD-UHFFFAOYSA-N -1 3 394.406 2.411 50 0 GEAAHM Cc1cc(C(=O)N2CC=C(c3ccccc3)CC2)c2c(=O)[n-]c(=O)n(C)c2n1 ZINC000426477222 231225126 /nfs/dbraw/zinc/22/51/26/231225126.db2.gz MQYAGAJUBOVYOX-UHFFFAOYSA-N -1 3 376.416 2.272 50 0 GEAAHM CN(Cc1ccccc1)C(=O)CCN1CCC[C@H](c2ccn(CC(=O)[O-])n2)C1 ZINC000426531518 529997037 /nfs/dbraw/zinc/99/70/37/529997037.db2.gz BDRIHBYXQGFSQF-SFHVURJKSA-N -1 3 384.480 2.196 50 0 GEAAHM COC(=O)[C@]([O-])(CC(=O)Nc1cc(OC)c(Cl)cc1OC)C(F)(F)F ZINC000002760799 531504920 /nfs/dbraw/zinc/50/49/20/531504920.db2.gz TXJGIGPHBJKLTL-CYBMUJFWSA-N -1 3 385.722 2.152 50 0 GEAAHM CCC(CC)c1nnc([N-]C(=O)c2cc(S(N)(=O)=O)ccc2OC)s1 ZINC000012758489 531553364 /nfs/dbraw/zinc/55/33/64/531553364.db2.gz CBOVMSLQRSMMNI-UHFFFAOYSA-N -1 3 384.483 2.350 50 0 GEAAHM O=S(=O)([N-]c1ccc(N2CCCS2(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000012653156 531554142 /nfs/dbraw/zinc/55/41/42/531554142.db2.gz GQJJRJDUUNHQOL-UHFFFAOYSA-N -1 3 388.417 2.306 50 0 GEAAHM C[C@@H](C(=O)NC1CCCCC1)[S@@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000155324758 531677025 /nfs/dbraw/zinc/67/70/25/531677025.db2.gz AATFRFZETLLOPL-OLUQVHSISA-N -1 3 379.404 2.287 50 0 GEAAHM O=C(c1cccc([O-])c1)N1CCN(C(=O)c2cncc(Br)c2)CC1 ZINC000058305170 531830765 /nfs/dbraw/zinc/83/07/65/531830765.db2.gz JNVHBAFOWJECCX-UHFFFAOYSA-N -1 3 390.237 2.148 50 0 GEAAHM Cc1cc(=NC(=O)c2sc(C)nc2C(C)C)n([C@@H]2CCS(=O)(=O)C2)[n-]1 ZINC000334159388 206263484 /nfs/dbraw/zinc/26/34/84/206263484.db2.gz SUZUFONHBCWWFE-GFCCVEGCSA-N -1 3 382.511 2.114 50 0 GEAAHM COC(=O)C1C(C)=NC(=S)N[C@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000000713707 206319557 /nfs/dbraw/zinc/31/95/57/206319557.db2.gz UWQMJCZETHDWDR-NSHDSACASA-N -1 3 387.255 2.129 50 0 GEAAHM COc1ccc(N2C[C@H](C[N-]S(=O)(=O)c3ccccc3F)CC2=O)cc1 ZINC000009035771 206304878 /nfs/dbraw/zinc/30/48/78/206304878.db2.gz ZKAKPWYKRRRIOB-ZDUSSCGKSA-N -1 3 378.425 2.166 50 0 GEAAHM Cc1ccc(-n2nnnc2C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000009571157 206337251 /nfs/dbraw/zinc/33/72/51/206337251.db2.gz UPXRGRLZCBAJDV-UHFFFAOYSA-N -1 3 397.382 2.468 50 0 GEAAHM CCOc1cc(/C=C2/C(=O)N(C)C(=S)N2CC(=O)OC)cc(Cl)c1[O-] ZINC000001124475 206355791 /nfs/dbraw/zinc/35/57/91/206355791.db2.gz YTXAFLGLIVLBPL-WDZFZDKYSA-N -1 3 384.841 2.017 50 0 GEAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cnn(C)c3)cc2)cc1 ZINC000002765931 206433570 /nfs/dbraw/zinc/43/35/70/206433570.db2.gz TWUBZSXSKZSAJC-UHFFFAOYSA-N -1 3 386.433 2.482 50 0 GEAAHM Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)cc1C ZINC000004278204 206511131 /nfs/dbraw/zinc/51/11/31/206511131.db2.gz RGGOMROHCMIQHL-OAHLLOKOSA-N -1 3 394.427 2.430 50 0 GEAAHM O=C(Cn1[n-]c(=O)c2ccccc2c1=O)NCCCSc1ccc(F)cc1 ZINC000006654207 206660389 /nfs/dbraw/zinc/66/03/89/206660389.db2.gz HBXHCNDTHWQMRJ-UHFFFAOYSA-N -1 3 387.436 2.128 50 0 GEAAHM CN1CCN(c2nc([O-])c(CC(=O)Nc3cccc4ccccc43)s2)CC1 ZINC000014111187 207010628 /nfs/dbraw/zinc/01/06/28/207010628.db2.gz ONZYWCRJCIUCRB-KRWDZBQOSA-N -1 3 382.489 2.414 50 0 GEAAHM COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3[O-])C2)cc1 ZINC000014161028 207012286 /nfs/dbraw/zinc/01/22/86/207012286.db2.gz UAVRSBIQMPJOHM-CQSZACIVSA-N -1 3 390.461 2.440 50 0 GEAAHM O=C(NC1=NCCS1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000014227813 207016342 /nfs/dbraw/zinc/01/63/42/207016342.db2.gz JNDUJLZTRHPSAW-UHFFFAOYSA-N -1 3 394.305 2.267 50 0 GEAAHM COc1ccc2nc([N-]C(=O)c3nc(S(C)(=O)=O)ncc3Cl)sc2c1 ZINC000016751794 207077482 /nfs/dbraw/zinc/07/74/82/207077482.db2.gz YEWSVSHCIMQGJE-UHFFFAOYSA-N -1 3 398.853 2.404 50 0 GEAAHM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCCN(c4ncccn4)CC3)c2c1 ZINC000020733035 207212274 /nfs/dbraw/zinc/21/22/74/207212274.db2.gz JSGPILXFCOFNMX-GOSISDBHSA-N -1 3 381.436 2.305 50 0 GEAAHM CC(C)CCc1cc(=O)[n-]c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 ZINC000022448925 207253930 /nfs/dbraw/zinc/25/39/30/207253930.db2.gz NBRBKQIHSFYQKD-UHFFFAOYSA-N -1 3 384.480 2.409 50 0 GEAAHM CCOC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@@H](c3cc(=O)[n-]c(C)n3)C2)c1C ZINC000023339286 207274682 /nfs/dbraw/zinc/27/46/82/207274682.db2.gz JCEVYVJSNSGWED-CQSZACIVSA-N -1 3 386.452 2.220 50 0 GEAAHM O=S(=O)([N-][C@H](CN1CCOCC1)c1ccccc1)c1ccc(F)cc1F ZINC000024193284 207289331 /nfs/dbraw/zinc/28/93/31/207289331.db2.gz OMOZQEHDBMHBST-QGZVFWFLSA-N -1 3 382.432 2.317 50 0 GEAAHM Cc1ccc([O-])c(C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)c1 ZINC000024498254 207291615 /nfs/dbraw/zinc/29/16/15/207291615.db2.gz PWROCGCYUHZVMZ-UHFFFAOYSA-N -1 3 377.448 2.184 50 0 GEAAHM O=S(=O)([N-][C@@H](CN1CCOCC1)c1ccccc1)c1ccc(F)c(F)c1 ZINC000025139557 207301433 /nfs/dbraw/zinc/30/14/33/207301433.db2.gz GMWWMWMITGYDID-SFHVURJKSA-N -1 3 382.432 2.317 50 0 GEAAHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)N1CCN(c2ccccc2)CC1 ZINC000032440573 207395505 /nfs/dbraw/zinc/39/55/05/207395505.db2.gz OAGAOQCWMXIJEK-OAHLLOKOSA-N -1 3 395.475 2.454 50 0 GEAAHM O=C(c1cccc([O-])c1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2ccccn2)C1 ZINC000072419471 208018947 /nfs/dbraw/zinc/01/89/47/208018947.db2.gz KZYHJKZBKFACPL-FXAWDEMLSA-N -1 3 379.460 2.483 50 0 GEAAHM COc1cc(CN2CCC3(C[C@H](C(=O)[O-])N(C(=O)C4CC4)C3)CC2)ccc1O ZINC000072423905 208023337 /nfs/dbraw/zinc/02/33/37/208023337.db2.gz DLCTUCHHCYZMCI-MRXNPFEDSA-N -1 3 388.464 2.079 50 0 GEAAHM O=C([O-])[C@H]1CC2(CN1C(=O)C1CC1)CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000072468154 208031421 /nfs/dbraw/zinc/03/14/21/208031421.db2.gz DNHBSYBSUCWTMX-MRXNPFEDSA-N -1 3 386.448 2.093 50 0 GEAAHM Cc1ccc(NC(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)cc1 ZINC000091616408 208125179 /nfs/dbraw/zinc/12/51/79/208125179.db2.gz IHXFNLDDEGJRTL-MJGOQNOKSA-N -1 3 388.512 2.330 50 0 GEAAHM CN(C(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[n-]c1=O)C1CCN(C)CC1 ZINC000091474220 208119823 /nfs/dbraw/zinc/11/98/23/208119823.db2.gz XUJFJBHEQNLMMK-UHFFFAOYSA-N -1 3 384.524 2.404 50 0 GEAAHM CN(C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O)[C@H]1CCN(C)C1 ZINC000091547014 208121513 /nfs/dbraw/zinc/12/15/13/208121513.db2.gz WPBXZHVCDFYDEI-NSHDSACASA-N -1 3 395.290 2.444 50 0 GEAAHM Cc1ccc(F)cc1[C@@H](C(=O)[O-])N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000095372725 208167938 /nfs/dbraw/zinc/16/79/38/208167938.db2.gz RXMXKNAYBPCIPC-KRWDZBQOSA-N -1 3 377.460 2.066 50 0 GEAAHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)Cc1ccc(OC)cc1OC ZINC000095404912 208179870 /nfs/dbraw/zinc/17/98/70/208179870.db2.gz CFOLIUVJEFKOBM-UHFFFAOYSA-N -1 3 392.433 2.149 50 0 GEAAHM COc1ccc([C@@H](C)NC(=O)[C@H]2CC(=O)[N-]N(C(=O)OC(C)(C)C)C2)cc1F ZINC000095456781 208186286 /nfs/dbraw/zinc/18/62/86/208186286.db2.gz RJRWTUXVNWOICE-YPMHNXCESA-N -1 3 395.431 2.300 50 0 GEAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)CS[C@H]2c1ccc2c(c1)n(C)c(=O)n2C ZINC000095480471 208195296 /nfs/dbraw/zinc/19/52/96/208195296.db2.gz LTKBHWCYENPEEJ-HNNXBMFYSA-N -1 3 387.465 2.372 50 0 GEAAHM COc1ccc2c(c1)OC[C@]1(C(=O)[O-])CN(Cc3ccc(OC)c(O)c3)C[C@H]21 ZINC000095503698 208203454 /nfs/dbraw/zinc/20/34/54/208203454.db2.gz VTICAFZIDWHMSD-IIBYNOLFSA-N -1 3 385.416 2.472 50 0 GEAAHM CN1CCN([C@H]2CCN(C(=O)/C=C/c3ccccc3)C[C@H]2CCC(=O)[O-])CC1 ZINC000095512346 208213275 /nfs/dbraw/zinc/21/32/75/208213275.db2.gz HOGHPHNQASYYFD-UNQHYNRVSA-N -1 3 385.508 2.029 50 0 GEAAHM CN1CCN([C@H]2CCN(Cc3ccc(Cl)nc3)C[C@H]2CCC(=O)[O-])CC1 ZINC000095527570 208227390 /nfs/dbraw/zinc/22/73/90/208227390.db2.gz PFKXEAFPFSSVEJ-SJORKVTESA-N -1 3 380.920 2.038 50 0 GEAAHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCc1ccnc(C2CC2)c1 ZINC000096008105 208252588 /nfs/dbraw/zinc/25/25/88/208252588.db2.gz VEBLLQOUQWFBMW-LBPRGKRZSA-N -1 3 377.441 2.081 50 0 GEAAHM Cc1cc(=O)c([O-])c([C@H](CC(=O)N2CCOCC2)c2cc(F)c(F)c(F)c2)o1 ZINC000096117865 208264755 /nfs/dbraw/zinc/26/47/55/208264755.db2.gz TWJFHGMLTHCWAB-GFCCVEGCSA-N -1 3 397.349 2.452 50 0 GEAAHM COc1ccc(Nc2nc([O-])c(Cc3cccc(-n4cnnn4)c3)s2)cc1 ZINC000096306199 208304323 /nfs/dbraw/zinc/30/43/23/208304323.db2.gz CUEGHOWXAXMCFH-MRXNPFEDSA-N -1 3 380.433 2.324 50 0 GEAAHM Nc1nc([O-])c([C@@]2(O)C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)s1 ZINC000096551392 208318405 /nfs/dbraw/zinc/31/84/05/208318405.db2.gz VRXJKPIOVFHCBO-KBXCAEBGSA-N -1 3 387.848 2.031 50 0 GEAAHM COc1ccc(F)cc1S(=O)(=O)[N-]CCn1ccc(-c2ccncc2)n1 ZINC000096098818 209007988 /nfs/dbraw/zinc/00/79/88/209007988.db2.gz FZTYHZZBOPJZQF-UHFFFAOYSA-N -1 3 376.413 2.071 50 0 GEAAHM Cn1cnc(S(=O)(=O)[N-]CCn2nc(-c3cccs3)cc2C2CC2)c1 ZINC000096121631 209012486 /nfs/dbraw/zinc/01/24/86/209012486.db2.gz AEILYMQWLPSNHM-UHFFFAOYSA-N -1 3 377.495 2.201 50 0 GEAAHM Cc1cc(CNC(=O)c2cc(N)cc(S(=O)(=O)[N-]c3ccccc3)c2)n[nH]1 ZINC000299782944 209089489 /nfs/dbraw/zinc/08/94/89/209089489.db2.gz GULGTGJCJJRIDO-UHFFFAOYSA-N -1 3 385.449 2.031 50 0 GEAAHM O=c1cc([C@@H]2CCOC2)nc(-c2ccc(CN3CCc4n[nH]cc4C3)cc2)[n-]1 ZINC000023153471 527483609 /nfs/dbraw/zinc/48/36/09/527483609.db2.gz OOVPJGIICHYMPA-MRXNPFEDSA-N -1 3 377.448 2.222 50 0 GEAAHM CN1CCN([C@H]2CCN(c3ncc(Cl)cc3F)C[C@H]2CCC(=O)[O-])CC1 ZINC000095387341 536417349 /nfs/dbraw/zinc/41/73/49/536417349.db2.gz VZGWKXSILBRMRD-CJNGLKHVSA-N -1 3 384.883 2.181 50 0 GEAAHM Cc1nc2sc([C@@H](c3ccccc3F)N3CCC(C(N)=O)CC3)c([O-])n2n1 ZINC000022627537 570228601 /nfs/dbraw/zinc/22/86/01/570228601.db2.gz VIUXHPXVMGOFHH-CQSZACIVSA-N -1 3 389.456 2.231 50 0 GEAAHM Cn1c2ccc(S(=O)(=O)[N-]c3ccccc3Br)cc2n(C)c1=O ZINC000011615483 570235865 /nfs/dbraw/zinc/23/58/65/570235865.db2.gz SXKUXAULFFGCBC-UHFFFAOYSA-N -1 3 396.266 2.440 50 0 GEAAHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@H](c1cccs1)n1cccn1 ZINC000575613992 570339921 /nfs/dbraw/zinc/33/99/21/570339921.db2.gz NPBJNJGGEQTONZ-LLVKDONJSA-N -1 3 397.503 2.361 50 0 GEAAHM Cc1ccc(C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)c([O-])c1 ZINC000053776389 570341360 /nfs/dbraw/zinc/34/13/60/570341360.db2.gz PVKDCYBGUQIVAL-UHFFFAOYSA-N -1 3 379.460 2.048 50 0 GEAAHM COc1ccc(CNC(=O)[C@@H]([N-]S(=O)(=O)c2cccs2)C(C)C)cc1 ZINC000004879851 570353943 /nfs/dbraw/zinc/35/39/43/570353943.db2.gz MPFBINLTWSLWGP-INIZCTEOSA-N -1 3 382.507 2.376 50 0 GEAAHM O=C(Cn1[n-]c(=O)c2ccccc2c1=O)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000023383319 570359746 /nfs/dbraw/zinc/35/97/46/570359746.db2.gz HRXJGIYKBMWYNK-FQEVSTJZSA-N -1 3 393.443 2.074 50 0 GEAAHM COc1ccc([O-])c(C(=O)N2CCn3nc([C@H](O)c4ccccc4)cc3C2)c1 ZINC000219801774 570375379 /nfs/dbraw/zinc/37/53/79/570375379.db2.gz VTOSXYGNTOFSOA-HXUWFJFHSA-N -1 3 379.416 2.335 50 0 GEAAHM O=S(=O)([N-]c1ccc(N2CCOCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000006316317 570376724 /nfs/dbraw/zinc/37/67/24/570376724.db2.gz WSJQJXQFHCJTEV-UHFFFAOYSA-N -1 3 376.434 2.095 50 0 GEAAHM C[C@H](NC(=O)c1ccc(-n2cnnn2)cc1[O-])c1ccccc1-n1cccn1 ZINC000221245458 570392424 /nfs/dbraw/zinc/39/24/24/570392424.db2.gz BXNUYLXLXIEGFI-ZDUSSCGKSA-N -1 3 375.392 2.045 50 0 GEAAHM C[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1[O-])c1ccccc1-n1cccn1 ZINC000221245514 570392426 /nfs/dbraw/zinc/39/24/26/570392426.db2.gz BXNUYLXLXIEGFI-CYBMUJFWSA-N -1 3 375.392 2.045 50 0 GEAAHM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCS3(=O)=O)c2)cc1C ZINC000005075748 570411760 /nfs/dbraw/zinc/41/17/60/570411760.db2.gz WCVDTXUTRBHJFA-UHFFFAOYSA-N -1 3 396.490 2.344 50 0 GEAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)cc1 ZINC000011858170 570439877 /nfs/dbraw/zinc/43/98/77/570439877.db2.gz SUEDPWDBCVUREI-ZDUSSCGKSA-N -1 3 394.474 2.108 50 0 GEAAHM CN1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)CC1=O ZINC000192657995 570490810 /nfs/dbraw/zinc/49/08/10/570490810.db2.gz ZQMXSLGMQYKXDM-AWEZNQCLSA-N -1 3 386.901 2.418 50 0 GEAAHM COc1ccc([C@H](C[N-]S(=O)(=O)c2cccs2)N2CCN(C)CC2)cc1 ZINC000022794957 570548508 /nfs/dbraw/zinc/54/85/08/570548508.db2.gz XXIXHJXFMNTZMN-KRWDZBQOSA-N -1 3 395.550 2.024 50 0 GEAAHM CN(C)CCNC(=O)c1ccc(Cn2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000036186913 570562995 /nfs/dbraw/zinc/56/29/95/570562995.db2.gz RFCBLAUZDKWRFD-UHFFFAOYSA-N -1 3 382.489 2.025 50 0 GEAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCN(C)C)cc2C)cc1 ZINC000010111674 570565450 /nfs/dbraw/zinc/56/54/50/570565450.db2.gz KLFRKPZPRPNPJM-UHFFFAOYSA-N -1 3 375.494 2.396 50 0 GEAAHM O=c1cc(CCn2cccn2)nc(-c2ccc(CN3CCSCC3)cc2)[n-]1 ZINC000048135084 570655808 /nfs/dbraw/zinc/65/58/08/570655808.db2.gz BGXVJKCNJTZURE-UHFFFAOYSA-N -1 3 381.505 2.425 50 0 GEAAHM O=C(COc1ccccc1)N1CCC[C@H](C[N-]S(=O)(=O)c2cccs2)C1 ZINC000012577246 570682727 /nfs/dbraw/zinc/68/27/27/570682727.db2.gz YBRXNYJFYGJLLL-OAHLLOKOSA-N -1 3 394.518 2.344 50 0 GEAAHM O=C(COc1ccccc1)N1CCC[C@@H](C[N-]S(=O)(=O)c2cccs2)C1 ZINC000012577241 570682851 /nfs/dbraw/zinc/68/28/51/570682851.db2.gz YBRXNYJFYGJLLL-HNNXBMFYSA-N -1 3 394.518 2.344 50 0 GEAAHM CCN1CCC[C@H]1Cn1c2ccc(C(=O)[O-])cc2n(Cc2cscn2)c1=O ZINC000055270348 570689767 /nfs/dbraw/zinc/68/97/67/570689767.db2.gz OKWYFHUKENDJHX-HNNXBMFYSA-N -1 3 386.477 2.490 50 0 GEAAHM COc1ccc2c(c1)[n-]cc(C(=O)N(C)C[C@@H]1COc3ccccc3O1)c2=O ZINC000058492794 570734741 /nfs/dbraw/zinc/73/47/41/570734741.db2.gz DDTCCZUPMKGWOX-CQSZACIVSA-N -1 3 380.400 2.449 50 0 GEAAHM Cc1ccc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1NC(=O)C1CC1 ZINC000065423133 570768078 /nfs/dbraw/zinc/76/80/78/570768078.db2.gz ZILGKLUANGMDLR-UHFFFAOYSA-N -1 3 376.420 2.454 50 0 GEAAHM Cc1ccc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1NC(=O)C1CC1 ZINC000065423133 570768080 /nfs/dbraw/zinc/76/80/80/570768080.db2.gz ZILGKLUANGMDLR-UHFFFAOYSA-N -1 3 376.420 2.454 50 0 GEAAHM COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000032747396 570793535 /nfs/dbraw/zinc/79/35/35/570793535.db2.gz NNWAIEWILZLGBE-UHFFFAOYSA-N -1 3 397.840 2.258 50 0 GEAAHM C[C@@H](OC(=O)c1cccc([N-]S(C)(=O)=O)c1)C(=O)Nc1ccc(Cl)cn1 ZINC000005882357 570801164 /nfs/dbraw/zinc/80/11/64/570801164.db2.gz AGALMGJYFQYXAE-SNVBAGLBSA-N -1 3 397.840 2.291 50 0 GEAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCn1cnc2ccsc2c1=O ZINC000238821918 570802134 /nfs/dbraw/zinc/80/21/34/570802134.db2.gz CVTBXKWYTOUOKS-UHFFFAOYSA-N -1 3 399.881 2.099 50 0 GEAAHM CCOC(=O)c1c[n-]nc1NC(=O)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC000238858006 570807603 /nfs/dbraw/zinc/80/76/03/570807603.db2.gz KEICYWCRJUNFSL-UHFFFAOYSA-N -1 3 394.815 2.445 50 0 GEAAHM COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000032858375 570856220 /nfs/dbraw/zinc/85/62/20/570856220.db2.gz DRZNBPPJKZCCPU-MRXNPFEDSA-N -1 3 389.477 2.471 50 0 GEAAHM CN(C(=O)CN1CCC([N-]S(=O)(=O)c2cccs2)CC1)c1ccccc1 ZINC000032865323 570862489 /nfs/dbraw/zinc/86/24/89/570862489.db2.gz CKQNWLDDNCPEDH-UHFFFAOYSA-N -1 3 393.534 2.154 50 0 GEAAHM COC(=O)c1ccc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000032865320 570862640 /nfs/dbraw/zinc/86/26/40/570862640.db2.gz OWTJLFIPVSQKCU-UHFFFAOYSA-N -1 3 394.518 2.478 50 0 GEAAHM O=C(c1ccc([O-])cn1)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000072128373 570868172 /nfs/dbraw/zinc/86/81/72/570868172.db2.gz WOMBNNCSTUQXES-GOSISDBHSA-N -1 3 384.455 2.353 50 0 GEAAHM CCOC(CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)(OCC)c1ccccn1 ZINC000170613476 570871697 /nfs/dbraw/zinc/87/16/97/570871697.db2.gz FOYMSJITYOABHX-UHFFFAOYSA-N -1 3 398.419 2.013 50 0 GEAAHM COc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)C[C@H]2CCO)c(F)c1 ZINC000072476886 570882281 /nfs/dbraw/zinc/88/22/81/570882281.db2.gz ARRZQMWMEYDEIZ-QGZVFWFLSA-N -1 3 388.439 2.249 50 0 GEAAHM COc1ccc(NC(=O)C[C@@H](CN(C)Cc2c(C)nn(C)c2C)C(=O)[O-])cc1 ZINC000071284352 570887861 /nfs/dbraw/zinc/88/78/61/570887861.db2.gz GXVGGLMMJOVHPL-HNNXBMFYSA-N -1 3 388.468 2.207 50 0 GEAAHM COc1ccccc1[C@H]([N-]S(=O)(=O)N(C)[C@H](C)C1CC1)c1noc(C)n1 ZINC000107137484 570971922 /nfs/dbraw/zinc/97/19/22/570971922.db2.gz RTJGAWMCMUKULO-BZNIZROVSA-N -1 3 380.470 2.041 50 0 GEAAHM CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(F)cc(F)c1)CC(=O)N2 ZINC000046075662 571019875 /nfs/dbraw/zinc/01/98/75/571019875.db2.gz GRQGBBOGHSXZDR-SNVBAGLBSA-N -1 3 380.376 2.225 50 0 GEAAHM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000012769925 571022224 /nfs/dbraw/zinc/02/22/24/571022224.db2.gz XQPPRSLOMULKBO-UHFFFAOYSA-N -1 3 394.834 2.279 50 0 GEAAHM COc1cc(OC)cc([C@H]2[C@H](S(=O)(=O)[N-]C3CCCCC3)CON2C)c1 ZINC000037553356 571030436 /nfs/dbraw/zinc/03/04/36/571030436.db2.gz BVIWHDWDIXLYFS-MSOLQXFVSA-N -1 3 384.498 2.243 50 0 GEAAHM O=C(CSc1nnc([N-]C(=O)c2cccs2)s1)NC[C@H]1CCCO1 ZINC000004328673 531513062 /nfs/dbraw/zinc/51/30/62/531513062.db2.gz MUQHXISAJVXACJ-SECBINFHSA-N -1 3 384.508 2.239 50 0 GEAAHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000003490854 531507678 /nfs/dbraw/zinc/50/76/78/531507678.db2.gz IMSUNTVENAYSNM-UHFFFAOYSA-N -1 3 395.308 2.400 50 0 aggregator GEAAHM Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1NC=C[C@@]1([O-])C(F)(F)F ZINC000006921119 531535066 /nfs/dbraw/zinc/53/50/66/531535066.db2.gz OKHTVCMPUZEEKE-SECBINFHSA-N -1 3 378.660 2.333 50 0 GEAAHM O=C(CC[N-]S(=O)(=O)c1ccccc1C(F)(F)F)Nc1nccs1 ZINC000012927891 531555394 /nfs/dbraw/zinc/55/53/94/531555394.db2.gz GNAAEWLZARSGMW-UHFFFAOYSA-N -1 3 379.385 2.469 50 0 GEAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)Nc1nccs1 ZINC000013521477 531559510 /nfs/dbraw/zinc/55/95/10/531559510.db2.gz OTMZKVRYLLNUDW-LLVKDONJSA-N -1 3 397.507 2.089 50 0 GEAAHM CCOC(=O)N1CCC([N-]S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000016088750 531569648 /nfs/dbraw/zinc/56/96/48/531569648.db2.gz YRMCZTSUXMCGGP-UHFFFAOYSA-N -1 3 397.316 2.410 50 0 GEAAHM Cc1nc(C)c(CC(=O)N[C@@H](C)Cc2ccc(Br)cc2)c(=O)[n-]1 ZINC000053417054 531763005 /nfs/dbraw/zinc/76/30/05/531763005.db2.gz WREYMMIYFAUELF-JTQLQIEISA-N -1 3 378.270 2.439 50 0 GEAAHM COC(=O)CN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC1 ZINC000170655161 531886299 /nfs/dbraw/zinc/88/62/99/531886299.db2.gz NNLASFMRBQVNHL-UHFFFAOYSA-N -1 3 379.210 2.068 50 0 GEAAHM C[C@@H](Cc1cccs1)NS(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2 ZINC000067804671 531889801 /nfs/dbraw/zinc/88/98/01/531889801.db2.gz MQCVPDHAEHJMDU-VIFPVBQESA-N -1 3 386.520 2.063 50 0 GEAAHM COC(=O)Cn1cc([N-]S(=O)(=O)CCc2ccc(C(F)(F)F)cc2)cn1 ZINC000328595680 206231564 /nfs/dbraw/zinc/23/15/64/206231564.db2.gz AHIUBSXVYNTPMY-UHFFFAOYSA-N -1 3 391.371 2.059 50 0 GEAAHM CC(C)c1nc(S(=O)(=O)[N-]C[C@@H](c2ccoc2)N2CCSCC2)cn1C ZINC000244969072 206280000 /nfs/dbraw/zinc/28/00/00/206280000.db2.gz GXCABUIAXBFRIH-HNNXBMFYSA-N -1 3 398.554 2.205 50 0 GEAAHM CCOC([O-])=NC(=O)COC(=O)C=Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000009417960 206334932 /nfs/dbraw/zinc/33/49/32/206334932.db2.gz ZRCQNXBXHZZQIG-MDZDMXLPSA-N -1 3 389.383 2.457 50 0 GEAAHM CCOC(=O)[N-]C(=O)COC(=O)C=Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000009417960 206334937 /nfs/dbraw/zinc/33/49/37/206334937.db2.gz ZRCQNXBXHZZQIG-MDZDMXLPSA-N -1 3 389.383 2.457 50 0 GEAAHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1 ZINC000000982671 206338215 /nfs/dbraw/zinc/33/82/15/206338215.db2.gz VQMWVLWYBVFRKL-UHFFFAOYSA-N -1 3 381.406 2.056 50 0 GEAAHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1N1CCOCC1 ZINC000001028546 206343072 /nfs/dbraw/zinc/34/30/72/206343072.db2.gz AVQBFXLWJFHJBW-UHFFFAOYSA-N -1 3 394.424 2.250 50 0 GEAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)CCO3)cc1 ZINC000009828176 206372084 /nfs/dbraw/zinc/37/20/84/206372084.db2.gz KLZNZEVWZGSFBM-UHFFFAOYSA-N -1 3 376.434 2.351 50 0 GEAAHM COC(=O)c1c([N-]C(=O)C(=O)NCc2ccco2)sc2c1CC(C)(C)OC2 ZINC000006756483 206671958 /nfs/dbraw/zinc/67/19/58/206671958.db2.gz ACKFIPBZDFCFLR-UHFFFAOYSA-N -1 3 392.433 2.234 50 0 GEAAHM Cc1nn([C@@H](C)C(=O)N2NC=C[C@]2([O-])C(F)(F)F)c(C)c1Br ZINC000006921048 206694246 /nfs/dbraw/zinc/69/42/46/206694246.db2.gz QRUALIKOWNXSAE-KWQFWETISA-N -1 3 383.168 2.292 50 0 GEAAHM CC(C)(C)c1ccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc1 ZINC000014210553 207016428 /nfs/dbraw/zinc/01/64/28/207016428.db2.gz FUBRGINEELMVGW-UHFFFAOYSA-N -1 3 380.242 2.235 50 0 GEAAHM CC[C@H](C)c1ccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc1 ZINC000014287209 207019500 /nfs/dbraw/zinc/01/95/00/207019500.db2.gz RLGHSILCJWSDDF-JTQLQIEISA-N -1 3 380.242 2.451 50 0 GEAAHM CCc1nnc([N-]C(=O)c2ccc(C(=O)Nc3nnc(CC)s3)cn2)s1 ZINC000017079484 207083576 /nfs/dbraw/zinc/08/35/76/207083576.db2.gz LRYNJMVCOTYCLW-UHFFFAOYSA-N -1 3 389.466 2.414 50 0 GEAAHM CC(C)n1ncc2cc(NC(=O)CCn3[n-]c(=O)c4ccccc4c3=O)cnc21 ZINC000017574029 207089973 /nfs/dbraw/zinc/08/99/73/207089973.db2.gz VEWSTGKRGBTGMZ-UHFFFAOYSA-N -1 3 392.419 2.457 50 0 GEAAHM CN(CCn1cccn1)Cc1cccc(-c2nc([C@@H]3CCOC3)cc(=O)[n-]2)c1 ZINC000023368627 207274741 /nfs/dbraw/zinc/27/47/41/207274741.db2.gz YPBFUTPVUJBTHW-GOSISDBHSA-N -1 3 379.464 2.269 50 0 GEAAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000024887512 207297389 /nfs/dbraw/zinc/29/73/89/207297389.db2.gz KSKODWOGUWLRHV-GFCCVEGCSA-N -1 3 391.424 2.189 50 0 GEAAHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cccnc2)c(Br)s1 ZINC000030288591 207370782 /nfs/dbraw/zinc/37/07/82/207370782.db2.gz XBFFHMGWSXUCIW-UHFFFAOYSA-N -1 3 391.268 2.171 50 0 GEAAHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)Nc3ccc(OC)nc3)cc(C(C)C)nc21 ZINC000032059955 207388442 /nfs/dbraw/zinc/38/84/42/207388442.db2.gz JCCRKZLGGTTYHA-UHFFFAOYSA-N -1 3 397.435 2.274 50 0 GEAAHM Cc1nc2c(nc(SCC(=O)Nc3ccc(F)c(Cl)c3)n2C)c(=O)[n-]1 ZINC000085746602 208101963 /nfs/dbraw/zinc/10/19/63/208101963.db2.gz RXRAXFYLIBJICL-UHFFFAOYSA-N -1 3 381.820 2.488 50 0 GEAAHM Cn1ccnc1CC[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000040640826 208078289 /nfs/dbraw/zinc/07/82/89/208078289.db2.gz HVGFJEFASSKTBF-UHFFFAOYSA-N -1 3 378.679 2.357 50 0 GEAAHM Cc1ncc(CC(=O)N2CCC[C@@](C)(Cc3ccc4c(c3)OCO4)C2)c(=O)[n-]1 ZINC000091847560 208139686 /nfs/dbraw/zinc/13/96/86/208139686.db2.gz MGQXFBSNXMYTPD-NRFANRHFSA-N -1 3 383.448 2.221 50 0 GEAAHM O=C(NCc1ncc[nH]1)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O ZINC000091724760 208135474 /nfs/dbraw/zinc/13/54/74/208135474.db2.gz WRGGPZCLGKUSIS-UHFFFAOYSA-N -1 3 378.219 2.321 50 0 GEAAHM Cc1ccn2cc(CN3CC[C@H](N4CCOCC4)[C@H](CCC(=O)[O-])C3)nc2c1 ZINC000091486897 208119139 /nfs/dbraw/zinc/11/91/39/208119139.db2.gz PMDGARZRVDZRDL-MJGOQNOKSA-N -1 3 386.496 2.030 50 0 GEAAHM O=C(c1ccc(-c2ccc(Cl)cc2)s1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000095408217 208177480 /nfs/dbraw/zinc/17/74/80/208177480.db2.gz PFNYQMXFIVWXLM-LBPRGKRZSA-N -1 3 375.837 2.445 50 0 GEAAHM O=C([O-])[C@H]1CC(=O)NC12CCN(Cc1c[nH]nc1-c1ccc(Cl)cc1)CC2 ZINC000095392474 208180166 /nfs/dbraw/zinc/18/01/66/208180166.db2.gz AGKSQMAMGPNLHN-OAHLLOKOSA-N -1 3 388.855 2.285 50 0 GEAAHM O=C(c1cccc([O-])c1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 ZINC000095500852 208201552 /nfs/dbraw/zinc/20/15/52/208201552.db2.gz OACIWHYPTMOGER-UHFFFAOYSA-N -1 3 380.448 2.042 50 0 GEAAHM CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(C)cc2[O-])CN1CC(C)C ZINC000096136040 208269441 /nfs/dbraw/zinc/26/94/41/208269441.db2.gz DHGSHGYMEYOSMW-AEFFLSMTSA-N -1 3 375.513 2.398 50 0 GEAAHM COCC(=O)N(Cc1nc(C)c(Cc2cccc(OC)c2)c(=O)[n-]1)CC(C)C ZINC000096317957 208306748 /nfs/dbraw/zinc/30/67/48/208306748.db2.gz WXYORNQSAOZRMU-UHFFFAOYSA-N -1 3 387.480 2.309 50 0 GEAAHM Cc1cc(N2CC[C@H]([N-]S(=O)(=O)c3ccc(F)c(F)c3)C2=O)ccc1F ZINC000096396388 208314012 /nfs/dbraw/zinc/31/40/12/208314012.db2.gz MFDYIRZUUXHHQW-INIZCTEOSA-N -1 3 384.379 2.496 50 0 GEAAHM Cn1c(C[N-]S(=O)(=O)c2ccccc2Br)nnc1C1CCC1 ZINC000097143618 208341584 /nfs/dbraw/zinc/34/15/84/208341584.db2.gz GAAGFXNBWMBBPD-UHFFFAOYSA-N -1 3 385.287 2.324 50 0 GEAAHM COc1ccc(-c2nnc3ccc(SC(C(C)=O)=C(C)[O-])nn32)cc1OC ZINC000100712720 208705961 /nfs/dbraw/zinc/70/59/61/208705961.db2.gz KTZGLGGNOFRLHQ-UHFFFAOYSA-N -1 3 386.433 2.447 50 0 GEAAHM COCCNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000013850774 208785957 /nfs/dbraw/zinc/78/59/57/208785957.db2.gz TWTLXKZMXFQLMQ-UHFFFAOYSA-N -1 3 380.441 2.240 50 0 GEAAHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1 ZINC000023233445 208865704 /nfs/dbraw/zinc/86/57/04/208865704.db2.gz WMMDAKJXTIAZQQ-UHFFFAOYSA-N -1 3 391.468 2.155 50 0 GEAAHM CCOC(=O)Cc1csc([N-]C(=O)c2coc(NC(=O)c3ccco3)n2)n1 ZINC000062023040 209001730 /nfs/dbraw/zinc/00/17/30/209001730.db2.gz ATKPSAUCAKNLGO-UHFFFAOYSA-N -1 3 390.377 2.334 50 0 GEAAHM Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC(n2c([O-])coc2=O)C1 ZINC000244969206 209026781 /nfs/dbraw/zinc/02/67/81/209026781.db2.gz HEJGGWDQGAXMQA-UHFFFAOYSA-N -1 3 375.768 2.107 50 0 GEAAHM CCN(Cc1nc(-c2cccc(C)c2)no1)Cc1nc2c(cnn2C)c(=O)[n-]1 ZINC000253536832 209044406 /nfs/dbraw/zinc/04/44/06/209044406.db2.gz PNHJMKMKQDIYDJ-UHFFFAOYSA-N -1 3 379.424 2.449 50 0 GEAAHM COC(=O)C[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccc(OC)c(OC)c1 ZINC000008746647 221055464 /nfs/dbraw/zinc/05/54/64/221055464.db2.gz ZFKZBBBNYQZTMB-AWEZNQCLSA-N -1 3 384.392 2.009 50 0 GEAAHM O=C([O-])[C@H](c1ccc(N2CCCCC2)nc1)N1CCN(c2ccncc2)CC1 ZINC000095380616 136178643 /nfs/dbraw/zinc/17/86/43/136178643.db2.gz YPBPPPSVDIOIIV-FQEVSTJZSA-N -1 3 381.480 2.415 50 0 GEAAHM C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000072308222 222221047 /nfs/dbraw/zinc/22/10/47/222221047.db2.gz IPTMUTRIMWIJJW-CYBMUJFWSA-N -1 3 388.855 2.226 50 0 GEAAHM COc1cc2cc(CC[N-]S(=O)(=O)c3cccs3)c(=O)[nH]c2c(OC)c1 ZINC000049597352 570270682 /nfs/dbraw/zinc/27/06/82/570270682.db2.gz IKFSXOFRGUZSOK-UHFFFAOYSA-N -1 3 394.474 2.128 50 0 GEAAHM COC(=O)[C@]([O-])(c1ccc(N2C(=O)c3ccccc3C2=O)cc1)C(F)(F)F ZINC000004343647 570369735 /nfs/dbraw/zinc/36/97/35/570369735.db2.gz IVYHMZMZWHIHAL-QGZVFWFLSA-N -1 3 379.290 2.410 50 0 GEAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2cc(-c3ccc4c(c3)OCO4)n[nH]2)N1 ZINC000006395091 570404214 /nfs/dbraw/zinc/40/42/14/570404214.db2.gz YBYLROFYKKISKK-HNNXBMFYSA-N -1 3 382.298 2.278 50 0 GEAAHM Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000012997299 570410993 /nfs/dbraw/zinc/41/09/93/570410993.db2.gz FILSHILNYVBSQH-UHFFFAOYSA-N -1 3 389.412 2.339 50 0 GEAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1NC(C)=O ZINC000005121321 570420461 /nfs/dbraw/zinc/42/04/61/570420461.db2.gz VLYVPHSSZALWQW-UHFFFAOYSA-N -1 3 378.406 2.226 50 0 GEAAHM COc1cccc(C(=O)OCC2=NS(=O)(=O)c3ccccc3[N-]2)c1OC ZINC000058179690 570717029 /nfs/dbraw/zinc/71/70/29/570717029.db2.gz NRPZMKORTCVBRO-UHFFFAOYSA-N -1 3 376.390 2.074 50 0 GEAAHM C[C@H](OC(=O)c1n[nH]c2ccccc21)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000006975559 570725330 /nfs/dbraw/zinc/72/53/30/570725330.db2.gz UTGPFUMKYSWONU-NSHDSACASA-N -1 3 387.417 2.363 50 0 GEAAHM O=C1[N-]C(=O)C2(CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)N1 ZINC000013004645 570741600 /nfs/dbraw/zinc/74/16/00/570741600.db2.gz MHXCEVYMXYLNSW-UHFFFAOYSA-N -1 3 391.493 2.097 50 0 GEAAHM CCOC(=O)c1cn(Cc2nc(C)cc(=O)[n-]2)cc(Oc2ccccc2)c1=O ZINC000065532754 570772813 /nfs/dbraw/zinc/77/28/13/570772813.db2.gz GJXWJHVBJMPCJX-UHFFFAOYSA-N -1 3 381.388 2.257 50 0 GEAAHM CCOc1ccccc1C(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000013690011 570775177 /nfs/dbraw/zinc/77/51/77/570775177.db2.gz ZFZJPANVGHCXTJ-UHFFFAOYSA-N -1 3 389.415 2.438 50 0 GEAAHM Cc1ccc(Oc2ncccc2CNC(=O)Cc2c(C)nc(C)[n-]c2=O)cn1 ZINC000067654849 570785164 /nfs/dbraw/zinc/78/51/64/570785164.db2.gz SFYNBZAQABAUQC-UHFFFAOYSA-N -1 3 379.420 2.136 50 0 GEAAHM COc1ccc([O-])c(C(=O)N2CCc3nnc(CCc4ccccc4)n3CC2)c1 ZINC000067692122 570786748 /nfs/dbraw/zinc/78/67/48/570786748.db2.gz FJFWYJYXRTYFTR-UHFFFAOYSA-N -1 3 392.459 2.476 50 0 GEAAHM Cc1c(C(=O)[O-])sc2ncnc(NCC3(CN4CCN(C)CC4)CC3)c12 ZINC000067742498 570789538 /nfs/dbraw/zinc/78/95/38/570789538.db2.gz LTCRZUQCJUCURR-UHFFFAOYSA-N -1 3 375.498 2.137 50 0 GEAAHM O=C(c1cc(COc2ccccc2)[nH]n1)N1CCC[C@H](c2cc(=O)[n-]cn2)C1 ZINC000067973854 570799107 /nfs/dbraw/zinc/79/91/07/570799107.db2.gz BJNVJOKWCVOUKR-AWEZNQCLSA-N -1 3 379.420 2.092 50 0 GEAAHM O=C(c1cc(COc2ccccc2)n[nH]1)N1CCC[C@H](c2cc(=O)[n-]cn2)C1 ZINC000067973854 570799108 /nfs/dbraw/zinc/79/91/08/570799108.db2.gz BJNVJOKWCVOUKR-AWEZNQCLSA-N -1 3 379.420 2.092 50 0 GEAAHM O=c1[nH]c([O-])c([C@H]2NCCc3c4ccccc4[nH]c32)c(=O)n1-c1ccc(F)cc1 ZINC000018169455 570807278 /nfs/dbraw/zinc/80/72/78/570807278.db2.gz IZBQSHVWJYDKNF-GOSISDBHSA-N -1 3 392.390 2.087 50 0 GEAAHM O=c1[nH]c(=O)n(-c2ccc(F)cc2)c([O-])c1[C@H]1NCCc2c3ccccc3[nH]c21 ZINC000018169455 570807280 /nfs/dbraw/zinc/80/72/80/570807280.db2.gz IZBQSHVWJYDKNF-GOSISDBHSA-N -1 3 392.390 2.087 50 0 GEAAHM Cc1nc([N-]S(=O)(=O)c2ccccc2)sc1NC(=O)OCCN(C)C ZINC000005684122 570808038 /nfs/dbraw/zinc/80/80/38/570808038.db2.gz RVEVCSXOSZADLD-UHFFFAOYSA-N -1 3 384.483 2.362 50 0 GEAAHM COc1ccc(C2=NOC3=C([O-])N(c4ccc(F)cc4F)C(=O)[C@H]23)c(OC)c1 ZINC000101505744 570826045 /nfs/dbraw/zinc/82/60/45/570826045.db2.gz RVPLCVHAXXLTGH-WBVHZDCISA-N -1 3 388.326 2.275 50 0 GEAAHM COc1ccc(C2=NOC3=C([O-])N(c4ccc(F)cc4F)C(=O)[C@H]23)c(OC)c1 ZINC000101505743 570826052 /nfs/dbraw/zinc/82/60/52/570826052.db2.gz RVPLCVHAXXLTGH-NVXWUHKLSA-N -1 3 388.326 2.275 50 0 GEAAHM CC(C)Cc1nc2ccccc2n1[C@H](C)C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000071776978 570853444 /nfs/dbraw/zinc/85/34/44/570853444.db2.gz AXLQFCKCEXMMIG-CQSZACIVSA-N -1 3 379.464 2.464 50 0 GEAAHM Cc1c(F)cc(C(N)=O)cc1[N-]S(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000170601700 570859772 /nfs/dbraw/zinc/85/97/72/570859772.db2.gz RUGSGSOMTPBJKE-UHFFFAOYSA-N -1 3 378.425 2.152 50 0 GEAAHM O=C(c1ccc([O-])cn1)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000072124252 570867642 /nfs/dbraw/zinc/86/76/42/570867642.db2.gz XVZJGBULMWPPLN-INIZCTEOSA-N -1 3 384.455 2.353 50 0 GEAAHM Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000052794477 570890055 /nfs/dbraw/zinc/89/00/55/570890055.db2.gz BYKVGXWJJJWHOP-UHFFFAOYSA-N -1 3 379.438 2.036 50 0 GEAAHM CCc1ccccc1NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000032913598 570918878 /nfs/dbraw/zinc/91/88/78/570918878.db2.gz WWPIWLVLPNXFMC-SFHVURJKSA-N -1 3 395.459 2.314 50 0 GEAAHM O=S(=O)([N-]CCCN1CCN(c2ccccc2)CC1)c1ccccc1F ZINC000012068903 570957608 /nfs/dbraw/zinc/95/76/08/570957608.db2.gz LAKYSGCFIRFLTN-UHFFFAOYSA-N -1 3 377.485 2.316 50 0 GEAAHM CCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)C(=O)NCCc2ccccc2)N1 ZINC000004173689 570974663 /nfs/dbraw/zinc/97/46/63/570974663.db2.gz WCJRPPSNRMHVRR-KRWDZBQOSA-N -1 3 385.386 2.375 50 0 GEAAHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccc(Cn2cccn2)cc1 ZINC000012746495 570989967 /nfs/dbraw/zinc/98/99/67/570989967.db2.gz IZDHFHGPXMTWMG-UHFFFAOYSA-N -1 3 391.474 2.258 50 0 GEAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1F)CC(=O)N2 ZINC000046074061 571019186 /nfs/dbraw/zinc/01/91/86/571019186.db2.gz CASAPVVCGLDFJC-VIFPVBQESA-N -1 3 376.413 2.476 50 0 GEAAHM CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(F)cc1F)CC(=O)N2 ZINC000046073973 571019246 /nfs/dbraw/zinc/01/92/46/571019246.db2.gz WTKOEOFJGRITEE-QMMMGPOBSA-N -1 3 380.376 2.225 50 0 GEAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(OC)cc1)CC(=O)N2 ZINC000046074151 571019697 /nfs/dbraw/zinc/01/96/97/571019697.db2.gz QWZKGJSFJYCHGB-LBPRGKRZSA-N -1 3 388.449 2.345 50 0 GEAAHM O=C(CN1CCC(C(=O)Nc2ccccc2[O-])CC1)NCc1ccc(F)cc1 ZINC000012777197 571030553 /nfs/dbraw/zinc/03/05/53/571030553.db2.gz WSOWLGIOKDEIPL-UHFFFAOYSA-N -1 3 385.439 2.498 50 0 GEAAHM CCCC1N=NC(=S)N1CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151563356 531510042 /nfs/dbraw/zinc/51/00/42/531510042.db2.gz QTTHDQIZQROGPP-UHFFFAOYSA-N -1 3 385.287 2.304 50 0 GEAAHM Cc1nn([C@H](C)C(=O)N2NC=C[C@]2([O-])C(F)(F)F)c(C)c1Br ZINC000006921056 531533781 /nfs/dbraw/zinc/53/37/81/531533781.db2.gz QRUALIKOWNXSAE-KCJUWKMLSA-N -1 3 383.168 2.292 50 0 GEAAHM Cc1cc([N-]C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)on1 ZINC000013596913 531560358 /nfs/dbraw/zinc/56/03/58/531560358.db2.gz HPPPKODJGQZTLI-VIFPVBQESA-N -1 3 375.859 2.490 50 0 GEAAHM O=C1Cc2cc(S(=O)(=O)[N-]c3cc4c(cc3Cl)OCCO4)ccc2N1 ZINC000032855672 531655874 /nfs/dbraw/zinc/65/58/74/531655874.db2.gz VZCGVJSRGVDQCJ-UHFFFAOYSA-N -1 3 380.809 2.407 50 0 GEAAHM Cc1noc(-c2csc(S(=O)(=O)[N-]CCCN3CCOCC3)c2)c1C ZINC000044890947 531687699 /nfs/dbraw/zinc/68/76/99/531687699.db2.gz BDPQFPWEEIUUDC-UHFFFAOYSA-N -1 3 385.511 2.021 50 0 GEAAHM NC(=O)c1ccn(-c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2)n1 ZINC000058267140 531830165 /nfs/dbraw/zinc/83/01/65/531830165.db2.gz ATZPXEPVVZIIEX-UHFFFAOYSA-N -1 3 376.825 2.425 50 0 GEAAHM COc1cccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)n(C)c(=O)n3C)c1 ZINC000064591828 531868716 /nfs/dbraw/zinc/86/87/16/531868716.db2.gz PIFLEHGPHRAXHW-UHFFFAOYSA-N -1 3 381.841 2.340 50 0 GEAAHM CC(C)c1nc(S(=O)(=O)[N-]C[C@H](c2ccoc2)N2CCSCC2)cn1C ZINC000244969073 206279950 /nfs/dbraw/zinc/27/99/50/206279950.db2.gz GXCABUIAXBFRIH-OAHLLOKOSA-N -1 3 398.554 2.205 50 0 GEAAHM O=C1N[C@H](c2cccc(O)c2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000001006972 206341368 /nfs/dbraw/zinc/34/13/68/206341368.db2.gz ARGKQMOEZGOHNI-VBQJREDUSA-N -1 3 380.322 2.496 50 0 GEAAHM CCOc1ccccc1C(=O)[N-]n1cnc2c(cnn2-c2ccccc2)c1=O ZINC000010251118 206375290 /nfs/dbraw/zinc/37/52/90/206375290.db2.gz VUOBXEZNPHNWKN-UHFFFAOYSA-N -1 3 375.388 2.365 50 0 GEAAHM O=C(CSc1nc2sccc2c(=O)[n-]1)NC[C@@H]1COc2ccccc2O1 ZINC000008456880 206751981 /nfs/dbraw/zinc/75/19/81/206751981.db2.gz PIKPZMDLSFZMED-SNVBAGLBSA-N -1 3 389.458 2.033 50 0 GEAAHM COCc1cccc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1 ZINC000011451431 206825805 /nfs/dbraw/zinc/82/58/05/206825805.db2.gz IVYLOTZOFUMTPD-UHFFFAOYSA-N -1 3 394.518 2.478 50 0 GEAAHM CC(C)[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1)C(=O)OCC(=O)NC(C)(C)C ZINC000014128990 207010712 /nfs/dbraw/zinc/01/07/12/207010712.db2.gz HDUXNAWCARIPLY-FLVLSHQESA-N -1 3 396.509 2.059 50 0 GEAAHM COc1ccc2ncc(S(=O)(=O)c3ccc(OC)c(OC)c3)c([O-])c2c1 ZINC000015828775 207063772 /nfs/dbraw/zinc/06/37/72/207063772.db2.gz AGCVVCXGSXOYQR-UHFFFAOYSA-N -1 3 375.402 2.387 50 0 GEAAHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000017303675 207087888 /nfs/dbraw/zinc/08/78/88/207087888.db2.gz VAECLTDQCXLOFA-INIZCTEOSA-N -1 3 390.440 2.066 50 0 GEAAHM COc1ccc(S(=O)(=O)[N-]CCCN2CCOCC2)c(Cl)c1Cl ZINC000020052213 207176444 /nfs/dbraw/zinc/17/64/44/207176444.db2.gz UXWNZZZERBUGTK-UHFFFAOYSA-N -1 3 383.297 2.003 50 0 GEAAHM Cc1cc2ncc(C(=O)Nc3ccc(F)c([N-]S(C)(=O)=O)c3)c(C)n2n1 ZINC000025670736 207306008 /nfs/dbraw/zinc/30/60/08/207306008.db2.gz QCWIVGZSTFBFBN-UHFFFAOYSA-N -1 3 377.401 2.109 50 0 GEAAHM Cc1oc(C(=O)[N-]c2nccs2)cc1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000038489371 207307575 /nfs/dbraw/zinc/30/75/75/207307575.db2.gz RCBSXCVNOTXUGV-NXEZZACHSA-N -1 3 385.467 2.095 50 0 GEAAHM Cc1nc(C)c(CCC(=O)OCC(=O)N[C@@H](C)c2cc3ccccc3o2)c(=O)[n-]1 ZINC000026003682 207308351 /nfs/dbraw/zinc/30/83/51/207308351.db2.gz ICGBVXYNKVSGOQ-ZDUSSCGKSA-N -1 3 397.431 2.486 50 0 GEAAHM O=S(=O)([N-][C@H](CN1CCOCC1)c1ccccc1)c1ccc(F)c(F)c1 ZINC000025139561 207301325 /nfs/dbraw/zinc/30/13/25/207301325.db2.gz GMWWMWMITGYDID-GOSISDBHSA-N -1 3 382.432 2.317 50 0 GEAAHM Cc1c2c(=O)[n-]n(C)c2[nH]c(=O)c1CCC(=O)NC[C@H]1CCCc2ccccc21 ZINC000030599617 207372731 /nfs/dbraw/zinc/37/27/31/207372731.db2.gz GHLWFDMKKUBHAW-OAHLLOKOSA-N -1 3 394.475 2.032 50 0 GEAAHM CCn1c(=O)[n-]c(=O)c2c(C(=O)NCCc3ccccc3F)cc(C(C)C)nc21 ZINC000032081097 207390925 /nfs/dbraw/zinc/39/09/25/207390925.db2.gz CPZFFRIYVGNEAC-UHFFFAOYSA-N -1 3 398.438 2.340 50 0 GEAAHM Cc1nn2c([n-]1)nc(CN1CCC3(CCC(=O)N(C4CCCC4)C3)CC1)cc2=O ZINC000091552074 208123849 /nfs/dbraw/zinc/12/38/49/208123849.db2.gz ALFUJRDEGWQZHD-UHFFFAOYSA-N -1 3 398.511 2.286 50 0 GEAAHM O=C(NCCCN1Cc2ccccc2C1)c1cnc(-c2ccccn2)[n-]c1=O ZINC000091646129 208128741 /nfs/dbraw/zinc/12/87/41/208128741.db2.gz MBUDNGXIKYVJNG-UHFFFAOYSA-N -1 3 375.432 2.380 50 0 GEAAHM Cc1cc(F)cc([C@H](C(=O)[O-])N2CCC(C(N)=O)(N3CCCCC3)CC2)c1 ZINC000095352476 208157706 /nfs/dbraw/zinc/15/77/06/208157706.db2.gz MVDNNGYELOWINV-QGZVFWFLSA-N -1 3 377.460 2.066 50 0 GEAAHM O=C([O-])c1cccc([C@@H]2CCCN(Cc3cc(=O)n4cccc(O)c4n3)C2)c1 ZINC000095359867 208159912 /nfs/dbraw/zinc/15/99/12/208159912.db2.gz VUXGWKGVJPLEBQ-MRXNPFEDSA-N -1 3 379.416 2.478 50 0 GEAAHM COc1cccc([C@@H]2CN(C(=O)c3ccncc3[O-])[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000095362578 208163081 /nfs/dbraw/zinc/16/30/81/208163081.db2.gz QOHFRUPNFLWXRB-CEWLAPEOSA-N -1 3 379.460 2.498 50 0 GEAAHM Cc1ccc([C@H](C(=O)[O-])N2CCC(C(N)=O)(N3CCCCC3)CC2)c(F)c1 ZINC000095376230 208169211 /nfs/dbraw/zinc/16/92/11/208169211.db2.gz XYRDPIVLSUSKOT-QGZVFWFLSA-N -1 3 377.460 2.066 50 0 GEAAHM CN1CCN([C@H]2CCN(C(=O)Nc3cccc(F)c3)C[C@H]2CCC(=O)[O-])CC1 ZINC000091895960 208140745 /nfs/dbraw/zinc/14/07/45/208140745.db2.gz ARSCMZHBPIIJBV-QAPCUYQASA-N -1 3 392.475 2.160 50 0 GEAAHM O=C(c1ccccc1[O-])N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 ZINC000091849253 208142430 /nfs/dbraw/zinc/14/24/30/208142430.db2.gz ZTSWXRYIJLIHAV-NRFANRHFSA-N -1 3 382.464 2.203 50 0 GEAAHM O=C(c1ccccc1[O-])N1CCC[C@@]2(CCC(=O)N(CCc3cnc[nH]3)C2)C1 ZINC000091849253 208142433 /nfs/dbraw/zinc/14/24/33/208142433.db2.gz ZTSWXRYIJLIHAV-NRFANRHFSA-N -1 3 382.464 2.203 50 0 GEAAHM CN(C)CCN1CC2(CCC1=O)CCN(C(=O)c1ccc(Cl)cc1[O-])CC2 ZINC000095354487 208156916 /nfs/dbraw/zinc/15/69/16/208156916.db2.gz FGFSQNQRLBYWNU-UHFFFAOYSA-N -1 3 393.915 2.452 50 0 GEAAHM CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)c1n[nH]c(=O)[n-]1 ZINC000095505466 208207729 /nfs/dbraw/zinc/20/77/29/208207729.db2.gz APPSAECNHAUXBH-OAHLLOKOSA-N -1 3 375.448 2.066 50 0 GEAAHM Cc1cc(C[N-]S(=O)(=O)c2cccc(C(=O)NCc3cccs3)c2)no1 ZINC000095391365 208178594 /nfs/dbraw/zinc/17/85/94/208178594.db2.gz LUQYRPMVXWSYCX-UHFFFAOYSA-N -1 3 391.474 2.453 50 0 GEAAHM Cc1cc(C(=O)N(c2ccc([O-])cc2)S(=O)(=O)c2ccccc2)cc(=O)[nH]1 ZINC000095467993 208190249 /nfs/dbraw/zinc/19/02/49/208190249.db2.gz VBUVSYNPPFDITL-UHFFFAOYSA-N -1 3 384.413 2.425 50 0 GEAAHM CC(C)c1nc(CN2CCC[C@H](C[N-]S(=O)(=O)c3cccs3)C2)no1 ZINC000095510846 208213037 /nfs/dbraw/zinc/21/30/37/208213037.db2.gz ADDRMDSASGXPRQ-CYBMUJFWSA-N -1 3 384.527 2.445 50 0 GEAAHM COc1ccc2c(c1)OC[C@]1(C(=O)[O-])CN(Cc3[nH]cc(C)c(=O)c3C)C[C@H]21 ZINC000095520082 208218884 /nfs/dbraw/zinc/21/88/84/208218884.db2.gz YRLNXJIDWBHUGL-IIBYNOLFSA-N -1 3 384.432 2.063 50 0 GEAAHM O=c1[n-]n(C2CCOCC2)c2c1[C@H](c1ccc3c(c1)OCO3)SCC(=O)N2 ZINC000096117790 208263106 /nfs/dbraw/zinc/26/31/06/208263106.db2.gz PFCPZRVFQKTRNA-INIZCTEOSA-N -1 3 389.433 2.444 50 0 GEAAHM CCc1cc(=O)n2nc(NCc3cc(Br)ccc3OC)[n-]c2n1 ZINC000101483996 208393816 /nfs/dbraw/zinc/39/38/16/208393816.db2.gz PXLQTUXLCRSJJV-UHFFFAOYSA-N -1 3 378.230 2.363 50 0 GEAAHM Cc1cc(=NC(=O)c2nc(C)sc2CC(C)C)n([C@H]2CCS(=O)(=O)C2)[n-]1 ZINC000334159138 209094626 /nfs/dbraw/zinc/09/46/26/209094626.db2.gz CVNYLEBSACUUHC-ZDUSSCGKSA-N -1 3 396.538 2.189 50 0 GEAAHM COc1ccc(Cl)cc1NC(=O)CSc1nc2c(nc[n-]c2=O)n1C ZINC000012427845 560212058 /nfs/dbraw/zinc/21/20/58/560212058.db2.gz RDUQABGHNSKAHT-UHFFFAOYSA-N -1 3 379.829 2.049 50 0 biogenic,in-vitro GEAAHM COc1ccccc1-c1nc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)n[n-]1 ZINC000048356146 570242295 /nfs/dbraw/zinc/24/22/95/570242295.db2.gz VHZOJGMGBLXITK-ZDUSSCGKSA-N -1 3 379.424 2.125 50 0 GEAAHM COc1cc(CCNC(=O)CCc2c(C)nc(C)[n-]c2=O)ccc1OC(F)F ZINC000012824838 570260562 /nfs/dbraw/zinc/26/05/62/570260562.db2.gz WGSWPFNVYMYLGJ-UHFFFAOYSA-N -1 3 395.406 2.288 50 0 GEAAHM Cc1nc(C)c(-c2ccc(=O)n(CC[N-]S(=O)(=O)c3cccs3)n2)s1 ZINC000049030844 570260851 /nfs/dbraw/zinc/26/08/51/570260851.db2.gz ISGIOBMPOWUQIL-UHFFFAOYSA-N -1 3 396.519 2.024 50 0 GEAAHM Cc1ccc([O-])c(C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)c1 ZINC000053776456 570341609 /nfs/dbraw/zinc/34/16/09/570341609.db2.gz RLDAPKXETMBJOF-UHFFFAOYSA-N -1 3 379.460 2.048 50 0 GEAAHM Cc1cc([N-]C(=O)C(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)o2)on1 ZINC000004324681 570368177 /nfs/dbraw/zinc/36/81/77/570368177.db2.gz IBJMXKNHVYHGJB-UHFFFAOYSA-N -1 3 379.328 2.194 50 0 GEAAHM O=C(CSc1nc2sccc2c(=O)[n-]1)N1CCN(c2ccccc2)CC1 ZINC000004810588 570407313 /nfs/dbraw/zinc/40/73/13/570407313.db2.gz RLLHZRRPAOMOLD-UHFFFAOYSA-N -1 3 386.502 2.426 50 0 GEAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)c(C)c1 ZINC000011858376 570440119 /nfs/dbraw/zinc/44/01/19/570440119.db2.gz REIGBOTUNBKWDC-UHFFFAOYSA-N -1 3 394.474 2.171 50 0 GEAAHM Cc1cccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)c1C ZINC000011906351 570446153 /nfs/dbraw/zinc/44/61/53/570446153.db2.gz LVEIVCWJFYUQJF-UHFFFAOYSA-N -1 3 394.474 2.171 50 0 GEAAHM COC(=O)c1c2c(sc1[N-]C(=O)C(=O)NCCC(C)C)COC(C)(C)C2 ZINC000006662224 570525814 /nfs/dbraw/zinc/52/58/14/570525814.db2.gz IXKZWYOGJDDDSJ-UHFFFAOYSA-N -1 3 382.482 2.487 50 0 GEAAHM CCOc1ccc(NC(=O)[C@H]2C=C([O-])NC(N3CCc4ccccc43)=N2)cc1 ZINC000009015998 570546983 /nfs/dbraw/zinc/54/69/83/570546983.db2.gz FCYILKFBIWVPGA-QGZVFWFLSA-N -1 3 378.432 2.331 50 0 GEAAHM O=C([N-]n1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=O)c1cccnc1 ZINC000040387788 570599278 /nfs/dbraw/zinc/59/92/78/570599278.db2.gz UXMCUBXHFHRLJE-UHFFFAOYSA-N -1 3 382.383 2.490 50 0 GEAAHM Cc1nc(C(=O)N2CCC[C@@H](C[N-]S(=O)(=O)c3cccs3)C2)cs1 ZINC000012385797 570615460 /nfs/dbraw/zinc/61/54/60/570615460.db2.gz OERRFYAVFPQESA-LBPRGKRZSA-N -1 3 385.536 2.344 50 0 GEAAHM O=C(/C=C/c1cccnc1)N1CCC[C@@H](C[N-]S(=O)(=O)c2cccs2)C1 ZINC000012198872 570624062 /nfs/dbraw/zinc/62/40/62/570624062.db2.gz CVCVTHPFAOQKJZ-WAVCKPEOSA-N -1 3 391.518 2.373 50 0 GEAAHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000012435159 570675015 /nfs/dbraw/zinc/67/50/15/570675015.db2.gz GDRLTZUPICXEFN-UHFFFAOYSA-N -1 3 393.490 2.404 50 0 GEAAHM COc1ccccc1-c1nc([N-]C(=O)c2cn(Cc3ccccc3)nn2)n[nH]1 ZINC000058184388 570717467 /nfs/dbraw/zinc/71/74/67/570717467.db2.gz TUJYOYPWNZSRBM-UHFFFAOYSA-N -1 3 375.392 2.372 50 0 GEAAHM COc1ccc(CN2CCn3c4ccc([N-]S(C)(=O)=O)cc4nc3C2)cc1 ZINC000013693301 570776478 /nfs/dbraw/zinc/77/64/78/570776478.db2.gz HFSKWWSXFCELGP-UHFFFAOYSA-N -1 3 386.477 2.432 50 0 GEAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000032768116 570802964 /nfs/dbraw/zinc/80/29/64/570802964.db2.gz IYKCSZCISTVYSA-WBMJQRKESA-N -1 3 377.466 2.152 50 0 GEAAHM COc1ccc(CCNC(=O)NC2CCN(c3nc(C)cc(=O)[n-]3)CC2)cc1 ZINC000238899045 570811826 /nfs/dbraw/zinc/81/18/26/570811826.db2.gz RHUVCXJCOOSYKT-UHFFFAOYSA-N -1 3 385.468 2.010 50 0 GEAAHM Cc1ccc(=O)n(C(C(=O)NCc2ccccn2)=C([O-])c2ccc(F)cc2)c1 ZINC000004676773 570822847 /nfs/dbraw/zinc/82/28/47/570822847.db2.gz ODYRGYXSHSMEIL-LJQANCHMSA-N -1 3 379.391 2.431 50 0 GEAAHM Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N1CCc3c(nc[n-]c3=O)C1)O2 ZINC000071661809 570842438 /nfs/dbraw/zinc/84/24/38/570842438.db2.gz VZZKNWWYOOUIPH-NRFANRHFSA-N -1 3 383.448 2.069 50 0 GEAAHM O=C(c1ccc([O-])cn1)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000072128374 570868019 /nfs/dbraw/zinc/86/80/19/570868019.db2.gz WOMBNNCSTUQXES-SFHVURJKSA-N -1 3 384.455 2.353 50 0 GEAAHM COc1ccc(CNC(=O)CCC[N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000007525293 570868635 /nfs/dbraw/zinc/86/86/35/570868635.db2.gz RICXUSKASOAEDH-UHFFFAOYSA-N -1 3 398.431 2.348 50 0 GEAAHM COc1cccc(C(=O)N[C@]2(C(F)(F)F)[N-]C(=O)N(Cc3ccco3)C2=O)c1 ZINC000003622980 570878702 /nfs/dbraw/zinc/87/87/02/570878702.db2.gz ZOKZNPFBPXMLQV-INIZCTEOSA-N -1 3 397.309 2.029 50 0 GEAAHM CN1CCN([C@@H](CC(=O)Nc2ccc(Nc3ccccc3)cc2)C(=O)[O-])CC1 ZINC000022467982 570898247 /nfs/dbraw/zinc/89/82/47/570898247.db2.gz RPSDQIQCAGNTPD-IBGZPJMESA-N -1 3 382.464 2.459 50 0 GEAAHM O=S(=O)([N-]C[C@@H](c1ccccc1)N1CCOCC1)c1ccc(F)cc1F ZINC000044782737 570977411 /nfs/dbraw/zinc/97/74/11/570977411.db2.gz UFRIVOBKGPLRFI-KRWDZBQOSA-N -1 3 382.432 2.317 50 0 GEAAHM CC1CCN(S(=O)(=O)c2cc(C(=O)[N-]c3nncs3)ccc2F)CC1 ZINC000016622837 570983085 /nfs/dbraw/zinc/98/30/85/570983085.db2.gz FOCYFPWSLZGHJA-UHFFFAOYSA-N -1 3 384.458 2.350 50 0 GEAAHM CCOC(=O)c1cccc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)c1 ZINC000004758413 570995311 /nfs/dbraw/zinc/99/53/11/570995311.db2.gz ZEFAGCVQKOTUJV-UHFFFAOYSA-N -1 3 382.463 2.232 50 0 GEAAHM CSc1cccc(NC(=O)CSc2nc3c(nc(C)[n-]c3=O)n2C)c1 ZINC000046081412 571022495 /nfs/dbraw/zinc/02/24/95/571022495.db2.gz ZTOYIYYUJCTCHY-UHFFFAOYSA-N -1 3 375.479 2.418 50 0 GEAAHM CS(=O)(=O)[N-]c1cc(NC(=O)Cc2ccc3c(c2)OCCO3)ccc1F ZINC000012788455 571039870 /nfs/dbraw/zinc/03/98/70/571039870.db2.gz JLXUFSVVCSCLKJ-UHFFFAOYSA-N -1 3 380.397 2.150 50 0 GEAAHM O=C(c1ccc(Cl)nc1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011450636 571046556 /nfs/dbraw/zinc/04/65/56/571046556.db2.gz XOINZKDCOTWUSO-UHFFFAOYSA-N -1 3 385.898 2.380 50 0 GEAAHM Cc1ccc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1I ZINC000031274377 642480037 /nfs/dbraw/zinc/48/00/37/642480037.db2.gz WAKFCRWZLLVQDE-UHFFFAOYSA-N -1 3 397.216 2.481 50 0 GEAAHM NC(=O)C1([N-]S(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)CC1 ZINC000630095959 652502189 /nfs/dbraw/zinc/50/21/89/652502189.db2.gz VCNWLNIMADBUQF-UHFFFAOYSA-N -1 3 391.396 2.125 50 0 GEAAHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)CN1CCc2ccccc2C1 ZINC000670441026 652748711 /nfs/dbraw/zinc/74/87/11/652748711.db2.gz ONMSQSCLOUQASK-LBPRGKRZSA-N -1 3 382.917 2.107 50 0 GEAAHM C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])N1C(=O)c2ccccc2S1(=O)=O ZINC000005272761 531518567 /nfs/dbraw/zinc/51/85/67/531518567.db2.gz IFVFIDZMDMUWND-SECBINFHSA-N -1 3 380.809 2.217 50 0 GEAAHM Cc1nc2sc([C@H](c3cccs3)N3CCC(C(N)=O)CC3)c([O-])n2n1 ZINC000004121050 531510322 /nfs/dbraw/zinc/51/03/22/531510322.db2.gz ACNJDBJKUXBUNY-LBPRGKRZSA-N -1 3 377.495 2.153 50 0 GEAAHM [O-]c1c([C@@H](c2cccs2)N2CCC3(CC2)OCCO3)sc2ncnn12 ZINC000022610160 531591941 /nfs/dbraw/zinc/59/19/41/531591941.db2.gz OFTZQJACIBITLP-GFCCVEGCSA-N -1 3 378.479 2.486 50 0 GEAAHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]C[C@H]2CCS(=O)(=O)C2)c1Cl ZINC000044789909 531688303 /nfs/dbraw/zinc/68/83/03/531688303.db2.gz TXQOOOZTVIRWHH-SNVBAGLBSA-N -1 3 386.322 2.323 50 0 GEAAHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](C)Oc2cccc(Cl)c2)c(C)o1 ZINC000176189237 532129926 /nfs/dbraw/zinc/12/99/26/532129926.db2.gz MQEBPTATNIGYTP-SNVBAGLBSA-N -1 3 386.857 2.347 50 0 GEAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)N[C@H](CO)c3ccccc3)cc2O1 ZINC000253414790 206283312 /nfs/dbraw/zinc/28/33/12/206283312.db2.gz YPYQOHRPFJPNJL-OAHLLOKOSA-N -1 3 385.416 2.365 50 0 GEAAHM COc1cccc(C(=O)[N-]N2C(=O)c3ccc(Br)cc3C2=O)c1 ZINC000000672984 206315179 /nfs/dbraw/zinc/31/51/79/206315179.db2.gz NVCHOFRGVIVBAA-UHFFFAOYSA-N -1 3 375.178 2.399 50 0 GEAAHM Cc1ccc(-n2nnnc2C[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000009571158 206337184 /nfs/dbraw/zinc/33/71/84/206337184.db2.gz GEKISOBDKIRHML-UHFFFAOYSA-N -1 3 397.382 2.468 50 0 GEAAHM O=C1[C@H](c2ccccc2)S(=O)(=O)C=C([O-])N1c1ccc(Br)cc1 ZINC000001402945 206378935 /nfs/dbraw/zinc/37/89/35/206378935.db2.gz SMAMCIFJULFZKB-HNNXBMFYSA-N -1 3 394.246 2.478 50 0 GEAAHM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1cccc(Cl)c1C ZINC000012795137 206940218 /nfs/dbraw/zinc/94/02/18/206940218.db2.gz IZGVZOVQPSVBFQ-UHFFFAOYSA-N -1 3 390.871 2.448 50 0 GEAAHM CC[C@@H](C)c1ccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc1 ZINC000014287208 207019687 /nfs/dbraw/zinc/01/96/87/207019687.db2.gz RLGHSILCJWSDDF-SNVBAGLBSA-N -1 3 380.242 2.451 50 0 GEAAHM COc1ccc(NC(=O)C=C2[N-]S(=O)(=O)c3ccccc3N2)cc1OC ZINC000015826701 207063075 /nfs/dbraw/zinc/06/30/75/207063075.db2.gz WQUIZPOSLDSXHO-UHFFFAOYSA-N -1 3 375.406 2.055 50 0 GEAAHM CC(C)(C)NC(=O)CSc1nc(-c2ccccc2F)nc2cc(=O)[n-]n21 ZINC000015732609 207058570 /nfs/dbraw/zinc/05/85/70/207058570.db2.gz XIEGWKJKVPFWGD-UHFFFAOYSA-N -1 3 375.429 2.231 50 0 GEAAHM O=c1cc(CCn2cccn2)nc(-c2ccc(CN3CCCOCC3)cc2)[n-]1 ZINC000019144754 207104419 /nfs/dbraw/zinc/10/44/19/207104419.db2.gz GLSPVNVWKDMXMF-UHFFFAOYSA-N -1 3 379.464 2.098 50 0 GEAAHM O=c1cc(Cc2cccc(F)c2)nc(-c2cccc(CN3CCNC(=O)C3)c2)[n-]1 ZINC000020906424 207220116 /nfs/dbraw/zinc/22/01/16/207220116.db2.gz QBGNOQAZGXTGMA-UHFFFAOYSA-N -1 3 392.434 2.099 50 0 GEAAHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c(C)c1 ZINC000021113285 207226596 /nfs/dbraw/zinc/22/65/96/207226596.db2.gz AVTDTSANAZFQCT-UHFFFAOYSA-N -1 3 380.491 2.426 50 0 GEAAHM C[C@@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2ccc3[nH]cnc3c2)C1=O ZINC000023946953 207284770 /nfs/dbraw/zinc/28/47/70/207284770.db2.gz YQFIWMTVVTZFAI-FQEVSTJZSA-N -1 3 377.404 2.151 50 0 GEAAHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c(F)cc1F ZINC000024428140 207290714 /nfs/dbraw/zinc/29/07/14/207290714.db2.gz DFCZVNLDFLAGFH-UHFFFAOYSA-N -1 3 385.344 2.323 50 0 GEAAHM CC[C@H](C)NC(=O)CN1CCN(Cn2nc(-c3cccs3)[n-]c2=S)CC1 ZINC000040061197 207336887 /nfs/dbraw/zinc/33/68/87/207336887.db2.gz NWMOUFLFQIIVAN-ZDUSSCGKSA-N -1 3 394.570 2.159 50 0 GEAAHM COc1ccc(NC(C)=O)cc1NC(=O)Cn1c(C)nc2ccc([O-])cc2c1=O ZINC000072405626 208015692 /nfs/dbraw/zinc/01/56/92/208015692.db2.gz SJHUVCODFSKUIL-UHFFFAOYSA-N -1 3 396.403 2.016 50 0 GEAAHM C[C@@]1(c2cccc(C(=O)OCC(=O)c3cccc(Cl)c3)c2)NC(=O)[N-]C1=O ZINC000089917308 208110992 /nfs/dbraw/zinc/11/09/92/208110992.db2.gz TUKNPAIYRICFTJ-IBGZPJMESA-N -1 3 386.791 2.434 50 0 GEAAHM C/C(=C\c1ccccc1)CN1CCN(C)[C@@]2(C1)CCC(=O)N(CC(=O)[O-])CC2 ZINC000095357993 208161545 /nfs/dbraw/zinc/16/15/45/208161545.db2.gz BSBXSKZYUBCISN-RRXSNJIPSA-N -1 3 385.508 2.173 50 0 GEAAHM CN1CCc2nc[nH]c2C12CCN(C(=O)c1cc(=O)c3ccccc3[n-]1)CC2 ZINC000091952042 208145103 /nfs/dbraw/zinc/14/51/03/208145103.db2.gz QBZHRFRMPJCYMA-UHFFFAOYSA-N -1 3 377.448 2.283 50 0 GEAAHM O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1cnc(-c2ccccc2)[n-]c1=O ZINC000092066812 208149364 /nfs/dbraw/zinc/14/93/64/208149364.db2.gz WSQUUUZFXMJCJH-QGZVFWFLSA-N -1 3 382.464 2.222 50 0 GEAAHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCC2CCCC2)c(OC)c1 ZINC000095445225 208183266 /nfs/dbraw/zinc/18/32/66/208183266.db2.gz KTSIDEUOYMFIIX-UHFFFAOYSA-N -1 3 390.527 2.315 50 0 GEAAHM CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(C)cc1[O-])CC2 ZINC000095518427 208216767 /nfs/dbraw/zinc/21/67/67/208216767.db2.gz BTUCOCXGVSJTNT-UHFFFAOYSA-N -1 3 382.464 2.350 50 0 GEAAHM CCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(C)cc1[O-])CC2 ZINC000095518427 208216774 /nfs/dbraw/zinc/21/67/74/208216774.db2.gz BTUCOCXGVSJTNT-UHFFFAOYSA-N -1 3 382.464 2.350 50 0 GEAAHM O=c1c2c[n-]nc2nc(SCc2cn3cccnc3n2)n1-c1ccccc1 ZINC000100985506 208384435 /nfs/dbraw/zinc/38/44/35/208384435.db2.gz WGZJUISFFANECM-UHFFFAOYSA-N -1 3 375.417 2.444 50 0 GEAAHM O=c1c2cn[n-]c2nc(SCc2cn3cccnc3n2)n1-c1ccccc1 ZINC000100985506 208384441 /nfs/dbraw/zinc/38/44/41/208384441.db2.gz WGZJUISFFANECM-UHFFFAOYSA-N -1 3 375.417 2.444 50 0 GEAAHM CCOC(=O)c1ccc(N2C(=O)[C@H]3C(c4ccc(F)cc4)=NOC3=C2[O-])cc1 ZINC000101360711 208392327 /nfs/dbraw/zinc/39/23/27/208392327.db2.gz SCJUYRNNRXKUMA-DOTOQJQBSA-N -1 3 382.347 2.295 50 0 GEAAHM C[C@](CO)(CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1)Cc1ccccc1 ZINC000240934405 209019854 /nfs/dbraw/zinc/01/98/54/209019854.db2.gz JBWFMBFSMIHQTD-LJQANCHMSA-N -1 3 376.478 2.029 50 0 GEAAHM O=C(CCCc1nc(-c2ccncc2)no1)N[C@H]1C[C@H](c2cc(=O)[n-]cn2)C1 ZINC000253535105 209044368 /nfs/dbraw/zinc/04/43/68/209044368.db2.gz CRSKXOBUIZOWGQ-HDJSIYSDSA-N -1 3 380.408 2.012 50 0 GEAAHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3cccc(-n4cccn4)c3)CC2)n1 ZINC000253537288 209044471 /nfs/dbraw/zinc/04/44/71/209044471.db2.gz JXSZGEPUPYRIKU-UHFFFAOYSA-N -1 3 378.436 2.075 50 0 GEAAHM Cc1ccccc1C(=O)N1CCC(C(=O)N[C@H]2C[C@H](c3cc(=O)[n-]cn3)C2)CC1 ZINC000253535283 209043635 /nfs/dbraw/zinc/04/36/35/209043635.db2.gz OGWFAMDZRXLILN-QAQDUYKDSA-N -1 3 394.475 2.405 50 0 GEAAHM COCCCNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000007990596 221022694 /nfs/dbraw/zinc/02/26/94/221022694.db2.gz NKGYYCSDSQNDHF-UHFFFAOYSA-N -1 3 381.281 2.200 50 0 GEAAHM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000012855922 221238357 /nfs/dbraw/zinc/23/83/57/221238357.db2.gz VEXFPBWSVSRAIC-UHFFFAOYSA-N -1 3 379.800 2.011 50 0 GEAAHM O=C([O-])[C@H](CC(=O)Nc1ccc(F)cc1)CN1CCN(c2ccccn2)CC1 ZINC000061721263 136156015 /nfs/dbraw/zinc/15/60/15/136156015.db2.gz DSGUYJJYHOFCSE-OAHLLOKOSA-N -1 3 386.427 2.072 50 0 GEAAHM Cc1nc(C2CCN(C(=O)c3cccc([O-])c3)CC2)cc(N2CCOCC2)n1 ZINC000072411865 136169639 /nfs/dbraw/zinc/16/96/39/136169639.db2.gz WCAIUJFXNWBJOW-UHFFFAOYSA-N -1 3 382.464 2.347 50 0 GEAAHM Cc1nc([C@H]2CCCN(C(=O)c3ccccc3[O-])C2)cc(N2CCOCC2)n1 ZINC000072418941 136169649 /nfs/dbraw/zinc/16/96/49/136169649.db2.gz QAEUKHCMZXLEGP-INIZCTEOSA-N -1 3 382.464 2.347 50 0 GEAAHM COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1ccc(C(=O)[O-])cn1)C2 ZINC000095379118 136178656 /nfs/dbraw/zinc/17/86/56/136178656.db2.gz NHEWMMPGGNWLHX-OPYAIIAOSA-N -1 3 389.496 2.124 50 0 GEAAHM CCN(C)c1cc(-c2cccc(C(=O)NCc3cc(=O)[n-]c(C)n3)c2)ncn1 ZINC000426550347 527863550 /nfs/dbraw/zinc/86/35/50/527863550.db2.gz BZRHAQZMFYEIFQ-UHFFFAOYSA-N -1 3 378.436 2.334 50 0 GEAAHM CCCn1c(=O)[n-]c(=O)c2cc(C(=O)N3CCCc4cc(C)ccc43)cnc21 ZINC000043109440 535579498 /nfs/dbraw/zinc/57/94/98/535579498.db2.gz CZERHCBZECTFLE-UHFFFAOYSA-N -1 3 378.432 2.396 50 0 GEAAHM COc1ccccc1-c1n[n-]c(NC(=O)C[C@@H](NC(C)=O)c2cccs2)n1 ZINC000048303265 570232099 /nfs/dbraw/zinc/23/20/99/570232099.db2.gz UZKKMZVMFZTBKS-CYBMUJFWSA-N -1 3 385.449 2.170 50 0 GEAAHM CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)[N-]c2c(F)cccc2F)c1 ZINC000001481432 570244243 /nfs/dbraw/zinc/24/42/43/570244243.db2.gz OTSKRHNWFXJAMF-UHFFFAOYSA-N -1 3 395.391 2.448 50 0 GEAAHM O=C(Nc1ccc2c(ccn2CCN2CCOCC2)c1)c1ccc2n[n-]nc2c1 ZINC000051420508 570278063 /nfs/dbraw/zinc/27/80/63/570278063.db2.gz FSLGYXOINRGMOG-UHFFFAOYSA-N -1 3 390.447 2.497 50 0 GEAAHM O=C1N[C@H](c2ccc(O)cc2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000004183834 570361884 /nfs/dbraw/zinc/36/18/84/570361884.db2.gz XARPOSJFZZXPCU-CKEIUWERSA-N -1 3 380.322 2.496 50 0 GEAAHM C[C@H](NC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)C12CC3CC(CC(C3)C1)C2 ZINC000006294990 570364874 /nfs/dbraw/zinc/36/48/74/570364874.db2.gz FESHBVHCBBETOE-QRYOHXEKSA-N -1 3 381.476 2.411 50 0 GEAAHM COc1ccc([O-])c(C(=O)N2CCn3nc([C@@H](O)c4ccccc4)cc3C2)c1 ZINC000219801705 570375299 /nfs/dbraw/zinc/37/52/99/570375299.db2.gz VTOSXYGNTOFSOA-FQEVSTJZSA-N -1 3 379.416 2.335 50 0 GEAAHM CC(C)CCNC(=O)[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(C)C ZINC000005067969 570410505 /nfs/dbraw/zinc/41/05/05/570410505.db2.gz PUVQIIPZPVNYHQ-CQSZACIVSA-N -1 3 384.527 2.157 50 0 GEAAHM COc1cccc([N-]S(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c1 ZINC000005136009 570424494 /nfs/dbraw/zinc/42/44/94/570424494.db2.gz FIQLGNNZVVGCMI-UHFFFAOYSA-N -1 3 396.490 2.426 50 0 GEAAHM CC(C)(Cc1ccccc1)[NH2+]C[C@H](O)c1ccc([O-])c([N-]S(C)(=O)=O)c1 ZINC000005298697 570433644 /nfs/dbraw/zinc/43/36/44/570433644.db2.gz XJBCFFLVLOPYBV-SFHVURJKSA-N -1 3 378.494 2.408 50 0 in-man GEAAHM COC(=O)c1csc(N2NC3=C(COc4ccccc43)[C@@]2([O-])C(F)(F)F)n1 ZINC000005275041 570547954 /nfs/dbraw/zinc/54/79/54/570547954.db2.gz HCNVRRYNDYLIDJ-BJOHPYRUSA-N -1 3 399.350 2.414 50 0 GEAAHM COc1ccc([C@@H](C[N-]S(=O)(=O)c2cccs2)N2CCN(C)CC2)cc1 ZINC000022794968 570548308 /nfs/dbraw/zinc/54/83/08/570548308.db2.gz XXIXHJXFMNTZMN-QGZVFWFLSA-N -1 3 395.550 2.024 50 0 GEAAHM CCCn1nnc2cc(-c3noc(C[N-]S(=O)(=O)c4ccccc4)n3)ccc21 ZINC000064979971 570624329 /nfs/dbraw/zinc/62/43/29/570624329.db2.gz NWTOLGDFROYDTP-UHFFFAOYSA-N -1 3 398.448 2.370 50 0 GEAAHM CC1(C)CN(Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[n-]3)cc2)CCO1 ZINC000048276233 570656692 /nfs/dbraw/zinc/65/66/92/570656692.db2.gz XDMPAJIVAAFBEQ-UHFFFAOYSA-N -1 3 393.491 2.487 50 0 GEAAHM C[C@@H](NC(=O)COC(=O)c1cccc([N-]S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000005602743 570668027 /nfs/dbraw/zinc/66/80/27/570668027.db2.gz FIFKJNSKXWJXHN-GFCCVEGCSA-N -1 3 394.424 2.231 50 0 GEAAHM C[C@H](NC(=O)COC(=O)c1cccc([N-]S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000005602738 570668114 /nfs/dbraw/zinc/66/81/14/570668114.db2.gz FIFKJNSKXWJXHN-LBPRGKRZSA-N -1 3 394.424 2.231 50 0 GEAAHM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC1(N(C)C)CCCCCC1 ZINC000013090274 570745514 /nfs/dbraw/zinc/74/55/14/570745514.db2.gz PARWCIJNVUABRP-UHFFFAOYSA-N -1 3 384.498 2.326 50 0 GEAAHM O=C(Cc1ccc(F)cc1)NCc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000013731814 570783120 /nfs/dbraw/zinc/78/31/20/570783120.db2.gz AMOQQDZRTZNTQP-UHFFFAOYSA-N -1 3 377.379 2.107 50 0 GEAAHM C[C@@H](CNS(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2)c1ccccc1 ZINC000067855531 570794546 /nfs/dbraw/zinc/79/45/46/570794546.db2.gz UXAWAAFFHVRALA-NSHDSACASA-N -1 3 380.491 2.174 50 0 GEAAHM C[C@H](OC(=O)c1cccc([N-]S(C)(=O)=O)c1)C(=O)Nc1ccc(Cl)cn1 ZINC000005882299 570800815 /nfs/dbraw/zinc/80/08/15/570800815.db2.gz AGALMGJYFQYXAE-JTQLQIEISA-N -1 3 397.840 2.291 50 0 GEAAHM COc1cc(OC)c(N2C[C@H](C(=O)Nc3ncccc3[O-])CC2=O)cc1Cl ZINC000012527193 570831635 /nfs/dbraw/zinc/83/16/35/570831635.db2.gz YFBLJXATKQPXMT-SNVBAGLBSA-N -1 3 391.811 2.449 50 0 GEAAHM CCCO[C@@H]1CCCN(C(=O)c2cccc(-c3cnn(-c4nn[n-]n4)c3)c2)C1 ZINC000534643485 570909184 /nfs/dbraw/zinc/90/91/84/570909184.db2.gz BADGMYBLAOQEAI-QGZVFWFLSA-N -1 3 381.440 2.084 50 0 GEAAHM Cc1nc2sc([C@H](c3cccc(F)c3)N3CCC(C(N)=O)CC3)c([O-])n2n1 ZINC000023157359 570920236 /nfs/dbraw/zinc/92/02/36/570920236.db2.gz FAFXLJWVGAWUOI-AWEZNQCLSA-N -1 3 389.456 2.231 50 0 GEAAHM COCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1C ZINC000004741120 570955789 /nfs/dbraw/zinc/95/57/89/570955789.db2.gz QYJVWWUQDFTEGW-UHFFFAOYSA-N -1 3 392.477 2.246 50 0 GEAAHM CCOc1ccc(C(=O)CCC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC000047545463 570964102 /nfs/dbraw/zinc/96/41/02/570964102.db2.gz UUFHBOAYEKUUBM-UHFFFAOYSA-N -1 3 384.432 2.300 50 0 GEAAHM Cc1cc([N-]C(=O)c2cc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cs2)no1 ZINC000016651591 570994807 /nfs/dbraw/zinc/99/48/07/570994807.db2.gz SUONHEBCKGXXIH-QWRGUYRKSA-N -1 3 385.467 2.095 50 0 GEAAHM C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)CCO1 ZINC000011503786 571049258 /nfs/dbraw/zinc/04/92/58/571049258.db2.gz DHPDTTNNSZVPMF-SECBINFHSA-N -1 3 393.292 2.295 50 0 GEAAHM O=C([O-])c1c2c(sc1S(=O)(=O)N1CC[C@H]1c1ccccc1)CNCC2 ZINC000067649743 642976586 /nfs/dbraw/zinc/97/65/86/642976586.db2.gz WEQVGXMUSWUYKL-ZDUSSCGKSA-N -1 3 378.475 2.228 50 0 GEAAHM O=C(C[N-]S(=O)(=O)Cc1cc(Cl)ccc1F)N1CCc2ccccc21 ZINC000123888166 643678291 /nfs/dbraw/zinc/67/82/91/643678291.db2.gz QTZSNFJXOPDVEE-UHFFFAOYSA-N -1 3 382.844 2.488 50 0 GEAAHM CO[C@H](CS(=O)(=O)[N-]c1ccc(F)cc1Cn1ccsc1=O)C1CC1 ZINC000888096580 654065475 /nfs/dbraw/zinc/06/54/75/654065475.db2.gz BAKZLOIIECXEPU-OAHLLOKOSA-N -1 3 386.470 2.264 50 0 GEAAHM Cc1cnc(-c2ccc(C(=O)NCc3cc(=O)[n-]c(C)n3)cc2)nc1N(C)C ZINC000426414353 231217847 /nfs/dbraw/zinc/21/78/47/231217847.db2.gz KYJVRWJSBZTDBT-UHFFFAOYSA-N -1 3 378.436 2.252 50 0 GEAAHM CCCN1c2ccc(Cl)cc2[C@@]2(SC([N-]C(C)=O)=NN2C(C)=O)C1=O ZINC000002353979 531503731 /nfs/dbraw/zinc/50/37/31/531503731.db2.gz STJGUBKDRQVYQZ-MRXNPFEDSA-N -1 3 380.857 2.252 50 0 GEAAHM O=C(C[N-]S(=O)(=O)c1ccccc1F)OCc1nc2ccccc2s1 ZINC000006464913 531526538 /nfs/dbraw/zinc/52/65/38/531526538.db2.gz OXMIEULPGIPXRH-UHFFFAOYSA-N -1 3 380.422 2.457 50 0 GEAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(S(=O)(=O)c2ccc(Br)cc2)N1 ZINC000006849419 531531805 /nfs/dbraw/zinc/53/18/05/531531805.db2.gz PXDYCECWTIGGRV-SNVBAGLBSA-N -1 3 387.177 2.470 50 0 GEAAHM CC(C)CN(Cn1nc(-c2ccccc2)[n-]c1=S)[C@H]1CCS(=O)(=O)C1 ZINC000012972850 531558448 /nfs/dbraw/zinc/55/84/48/531558448.db2.gz ADJNDRFTNHAGKI-HNNXBMFYSA-N -1 3 380.539 2.336 50 0 GEAAHM C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCSc1ccccc1 ZINC000012794864 531554725 /nfs/dbraw/zinc/55/47/25/531554725.db2.gz YFMKOCDHVSQJQB-CYBMUJFWSA-N -1 3 382.482 2.401 50 0 GEAAHM O=S(=O)([N-]C[C@@H](c1ccsc1)N1CCOCC1)c1ccc(F)cc1F ZINC000022767345 531592700 /nfs/dbraw/zinc/59/27/00/531592700.db2.gz SQULWEBCIVLYRI-HNNXBMFYSA-N -1 3 388.461 2.378 50 0 GEAAHM CC(C)c1nc(S(=O)(=O)[N-]C[C@@](O)(c2ccsc2)c2ccco2)cn1C ZINC000253472207 206283138 /nfs/dbraw/zinc/28/31/38/206283138.db2.gz KDAQKBWAKSNPRA-QGZVFWFLSA-N -1 3 395.506 2.412 50 0 GEAAHM CCOc1ccc(N2C[C@H](C[N-]S(=O)(=O)c3cccs3)CC2=O)cc1 ZINC000009036053 206304497 /nfs/dbraw/zinc/30/44/97/206304497.db2.gz UQFPNCOVCHCZAE-ZDUSSCGKSA-N -1 3 380.491 2.478 50 0 GEAAHM O=C(COc1ccc(Br)cc1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000001010669 206342290 /nfs/dbraw/zinc/34/22/90/206342290.db2.gz USBSQRMMPBTOMH-UHFFFAOYSA-N -1 3 375.178 2.350 50 0 GEAAHM COc1ccccc1N1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC1 ZINC000001078440 206349788 /nfs/dbraw/zinc/34/97/88/206349788.db2.gz HLQJQXVESXYDPL-UHFFFAOYSA-N -1 3 389.477 2.029 50 0 GEAAHM O=C(N[C@]1(C(F)(F)F)[N-]C(=O)N(Cc2ccco2)C1=O)c1ccc(F)cc1 ZINC000003622762 206490812 /nfs/dbraw/zinc/49/08/12/206490812.db2.gz QIRJVQIMCBRPMD-HNNXBMFYSA-N -1 3 385.273 2.159 50 0 GEAAHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)ccc1OC ZINC000016625439 207075881 /nfs/dbraw/zinc/07/58/81/207075881.db2.gz IEJNUZLAWHCTSE-UHFFFAOYSA-N -1 3 392.433 2.017 50 0 GEAAHM O=c1nc(CN2CCOCC2)[n-]c2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000019926513 207169558 /nfs/dbraw/zinc/16/95/58/207169558.db2.gz QRUZTQDWTCQMFN-UHFFFAOYSA-N -1 3 396.516 2.375 50 0 GEAAHM CC(C)Cn1c(SCC(=O)[N-]C2=NCCS2)nnc1-c1cccnc1 ZINC000020171536 207181972 /nfs/dbraw/zinc/18/19/72/207181972.db2.gz KQHJPRFZBFHAQX-UHFFFAOYSA-N -1 3 376.511 2.307 50 0 GEAAHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)cc1 ZINC000020674146 207210265 /nfs/dbraw/zinc/21/02/65/207210265.db2.gz WLOREKSUBVMZPC-AWEZNQCLSA-N -1 3 381.436 2.133 50 0 GEAAHM C[C@H]1Oc2ccc([N-]S(=O)(=O)c3ccc4oc(=O)ccc4c3)cc2NC1=O ZINC000022903606 207262737 /nfs/dbraw/zinc/26/27/37/207262737.db2.gz BWBVCHARJPXWKS-SNVBAGLBSA-N -1 3 386.385 2.313 50 0 GEAAHM Cc1oc(C(=O)[N-]c2nccs2)cc1S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000038489373 207307300 /nfs/dbraw/zinc/30/73/00/207307300.db2.gz RCBSXCVNOTXUGV-UWVGGRQHSA-N -1 3 385.467 2.095 50 0 GEAAHM CCCn1c(=O)[n-]c(=O)c2cc(C(=O)Nc3cc(OC)c(OC)cc3C)cnc21 ZINC000029707715 207365603 /nfs/dbraw/zinc/36/56/03/207365603.db2.gz AAICWVGKNLVFEM-UHFFFAOYSA-N -1 3 398.419 2.073 50 0 GEAAHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccccn2)c(Br)s1 ZINC000030288581 207369237 /nfs/dbraw/zinc/36/92/37/207369237.db2.gz SCHHBPKCMUIDKM-UHFFFAOYSA-N -1 3 391.268 2.171 50 0 GEAAHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N3CCc4ccccc4C3)cc(C(C)C)nc21 ZINC000032031906 207388591 /nfs/dbraw/zinc/38/85/91/207388591.db2.gz AVCURSWTRRRRLM-UHFFFAOYSA-N -1 3 392.459 2.427 50 0 GEAAHM O=S(=O)([N-]C[C@@H](c1ccccc1)N1CCOCC1)c1ccc(F)c(F)c1 ZINC000044782777 207636438 /nfs/dbraw/zinc/63/64/38/207636438.db2.gz NXLXDLZLQFRNGC-SFHVURJKSA-N -1 3 382.432 2.317 50 0 GEAAHM COc1cccc(CNC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c1 ZINC000065741998 207877249 /nfs/dbraw/zinc/87/72/49/207877249.db2.gz WGSCOMCZMCCUSK-UHFFFAOYSA-N -1 3 378.432 2.398 50 0 GEAAHM O=C(c1ccccc1-c1nnn[n-]1)N1CCC([C@H](O)Cc2ccccc2)CC1 ZINC000077407289 208044132 /nfs/dbraw/zinc/04/41/32/208044132.db2.gz VJGJCGZZGFUATB-LJQANCHMSA-N -1 3 377.448 2.323 50 0 GEAAHM O=C(c1ccccc1-c1nn[n-]n1)N1CCC([C@H](O)Cc2ccccc2)CC1 ZINC000077407289 208044135 /nfs/dbraw/zinc/04/41/35/208044135.db2.gz VJGJCGZZGFUATB-LJQANCHMSA-N -1 3 377.448 2.323 50 0 GEAAHM CN1CCN([C@H]2CCN(Cc3cc(C(C)(C)C)n[nH]3)C[C@H]2CCC(=O)[O-])CC1 ZINC000095355578 208157845 /nfs/dbraw/zinc/15/78/45/208157845.db2.gz MJKYFTYVEJVCPP-AEFFLSMTSA-N -1 3 391.560 2.010 50 0 GEAAHM C[C@@H](C(=O)[O-])N1CC2(CCC1=O)CCN(CCOc1ccc(F)cc1)CC2 ZINC000091950915 208143718 /nfs/dbraw/zinc/14/37/18/208143718.db2.gz PZVZEKNDDAGVTO-HNNXBMFYSA-N -1 3 378.444 2.382 50 0 GEAAHM Cc1ccc(F)cc1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCC(=O)[O-])C1 ZINC000092020616 208147435 /nfs/dbraw/zinc/14/74/35/208147435.db2.gz SAAUIVCXDYZWTF-APWZRJJASA-N -1 3 391.487 2.077 50 0 GEAAHM [O-]c1ccc(Cl)c(CN2C[C@H](CO)[C@H](CN3CCOCC3)C2)c1Cl ZINC000092077591 208151143 /nfs/dbraw/zinc/15/11/43/208151143.db2.gz BOLHJVUYQQYFOL-CHWSQXEVSA-N -1 3 375.296 2.072 50 0 GEAAHM COc1ccc([C@H](C)NC(=O)[C@H]2CC(=O)[N-]N(C(=O)OC(C)(C)C)C2)cc1F ZINC000095456780 208185724 /nfs/dbraw/zinc/18/57/24/208185724.db2.gz RJRWTUXVNWOICE-AAEUAGOBSA-N -1 3 395.431 2.300 50 0 GEAAHM COc1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)[N-]N(C(=O)OC(C)(C)C)C2)cc1F ZINC000095456778 208185736 /nfs/dbraw/zinc/18/57/36/208185736.db2.gz RJRWTUXVNWOICE-WCQYABFASA-N -1 3 395.431 2.300 50 0 GEAAHM O=S(=O)([N-]Cc1ccccc1CN1CCC[C@H]1CO)c1ccc(F)cc1F ZINC000095469237 208191419 /nfs/dbraw/zinc/19/14/19/208191419.db2.gz PYVGWUIDPOOWBO-KRWDZBQOSA-N -1 3 396.459 2.400 50 0 GEAAHM CC(C)c1cc(CN2C[C@H]3CN(C(=O)C4CCCC4)C[C@@]3(C(=O)[O-])C2)on1 ZINC000096132573 208266571 /nfs/dbraw/zinc/26/65/71/208266571.db2.gz BRKSABDKJVURIT-YWZLYKJASA-N -1 3 375.469 2.333 50 0 GEAAHM Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)c3cc(F)cc(F)c3)C2=O)ccc1F ZINC000096396399 208313667 /nfs/dbraw/zinc/31/36/67/208313667.db2.gz NPZCIIMCASXUAM-MRXNPFEDSA-N -1 3 384.379 2.496 50 0 GEAAHM O=C1[C@@H]2C(c3ccc(Cl)cc3)=NOC2=C([O-])N1c1ccc2c(c1)OCCO2 ZINC000101268131 208390558 /nfs/dbraw/zinc/39/05/58/208390558.db2.gz CYHBHOKHDNUSQT-WBVHZDCISA-N -1 3 384.775 2.404 50 0 GEAAHM COc1ccc(C2=NOC3=C([O-])N(c4ccc(C(C)=O)cc4)C(=O)[C@@H]23)c(OC)c1 ZINC000101358839 208393058 /nfs/dbraw/zinc/39/30/58/208393058.db2.gz RCACTWXMDCYTNJ-PKOBYXMFSA-N -1 3 394.383 2.199 50 0 GEAAHM Cc1cc([N-]C(=O)c2cc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cs2)no1 ZINC000016651589 208797025 /nfs/dbraw/zinc/79/70/25/208797025.db2.gz SUONHEBCKGXXIH-PHIMTYICSA-N -1 3 385.467 2.095 50 0 GEAAHM COCCN1C[C@H](Cc2ccc(-c3ccnc(C)c3-c3nnn[n-]3)cc2)CC1=O ZINC000244647093 209022228 /nfs/dbraw/zinc/02/22/28/209022228.db2.gz GUXWCQDRDWKJAE-MRXNPFEDSA-N -1 3 392.463 2.275 50 0 GEAAHM COCCN1C[C@H](Cc2ccc(-c3ccnc(C)c3-c3nn[n-]n3)cc2)CC1=O ZINC000244647093 209022233 /nfs/dbraw/zinc/02/22/33/209022233.db2.gz GUXWCQDRDWKJAE-MRXNPFEDSA-N -1 3 392.463 2.275 50 0 GEAAHM NC(=O)C[C@H](c1cccnc1Cl)c1oc(CN2CCCCC2)cc(=O)c1[O-] ZINC000252496522 209034726 /nfs/dbraw/zinc/03/47/26/209034726.db2.gz PKJKPQAVTWKDLB-CQSZACIVSA-N -1 3 391.855 2.387 50 0 GEAAHM COc1ccc2c(c1)N(C(=O)OCc1ccccc1)CC[C@@]21NC(=O)[N-]C1=O ZINC000071257107 136165435 /nfs/dbraw/zinc/16/54/35/136165435.db2.gz LOYXLECEVZTADB-HXUWFJFHSA-N -1 3 381.388 2.277 50 0 GEAAHM COc1ccc2[n-]cc(C(=O)N3CCN(c4ncccc4C)CC3)c(=O)c2c1 ZINC000077489227 136172235 /nfs/dbraw/zinc/17/22/35/136172235.db2.gz NIKOWWPMGUSYHU-UHFFFAOYSA-N -1 3 378.432 2.203 50 0 GEAAHM Cc1c(C(=O)[O-])sc2ncnc(N3CCN(CC(C)C)[C@@H](CCO)C3)c12 ZINC000106688277 136191552 /nfs/dbraw/zinc/19/15/52/136191552.db2.gz LJKBVWNYWKDPOY-ZDUSSCGKSA-N -1 3 378.498 2.227 50 0 GEAAHM CCN1C(=O)/C(=C/c2ccc([O-])c(I)c2)N(C)C1=S ZINC000004901963 570416280 /nfs/dbraw/zinc/41/62/80/570416280.db2.gz PUTNSGUBLNJZQD-YFHOEESVSA-N -1 3 388.230 2.417 50 0 GEAAHM COc1ccc(OCc2noc(C[N-]S(=O)(=O)Cc3ccccc3)n2)cc1 ZINC000049027626 570260072 /nfs/dbraw/zinc/26/00/72/570260072.db2.gz CQOHCNWTMPBZIU-UHFFFAOYSA-N -1 3 389.433 2.277 50 0 GEAAHM O=C(CC[N-]S(=O)(=O)c1cccs1)OCC(=O)c1c[nH]c2ccccc21 ZINC000006151125 570277630 /nfs/dbraw/zinc/27/76/30/570277630.db2.gz BVHUBDONVQQCIL-UHFFFAOYSA-N -1 3 392.458 2.324 50 0 GEAAHM Cc1ccnc(Nc2ccc(NCC[N-]S(=O)(=O)c3cccs3)nn2)c1 ZINC000011696858 570344440 /nfs/dbraw/zinc/34/44/40/570344440.db2.gz CLGRPUJXTRIYNF-UHFFFAOYSA-N -1 3 390.494 2.376 50 0 GEAAHM O=C1N[C@H](c2cccc(O)c2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000004269827 570364489 /nfs/dbraw/zinc/36/44/89/570364489.db2.gz ARGKQMOEZGOHNI-JJRVBVJISA-N -1 3 380.322 2.496 50 0 GEAAHM O=C1N[C@H](c2cccc(O)c2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000004269828 570364596 /nfs/dbraw/zinc/36/45/96/570364596.db2.gz ARGKQMOEZGOHNI-CKEIUWERSA-N -1 3 380.322 2.496 50 0 GEAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@H](O)c1ccc2c(c1)OCO2 ZINC000090612628 570387117 /nfs/dbraw/zinc/38/71/17/570387117.db2.gz RJXFHLFCFXZCRL-ZDUSSCGKSA-N -1 3 399.852 2.479 50 0 GEAAHM COC(=O)c1ccccc1SCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000004625532 570388739 /nfs/dbraw/zinc/38/87/39/570388739.db2.gz DDSWIFFVHQQVFS-UHFFFAOYSA-N -1 3 385.401 2.146 50 0 GEAAHM COC(=O)c1ccccc1SCC(=O)Nc1cccc2c(=O)[n-][nH]c(=O)c12 ZINC000004625532 570388740 /nfs/dbraw/zinc/38/87/40/570388740.db2.gz DDSWIFFVHQQVFS-UHFFFAOYSA-N -1 3 385.401 2.146 50 0 GEAAHM O=S(=O)([N-]Cc1nc2cccnc2n1C1CC1)c1cccc2nsnc21 ZINC000035526525 570392599 /nfs/dbraw/zinc/39/25/99/570392599.db2.gz IZXKNXLDVGGUDB-UHFFFAOYSA-N -1 3 386.462 2.249 50 0 GEAAHM O=C1[N-]C(=O)c2cc(S(=O)(=O)NCCc3ccccc3)cc3cccc1c32 ZINC000005000389 570392985 /nfs/dbraw/zinc/39/29/85/570392985.db2.gz JZOYMWZSDVQAPK-UHFFFAOYSA-N -1 3 380.425 2.244 50 0 GEAAHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OCCNS(C)(=O)=O)cc1 ZINC000004694525 570393840 /nfs/dbraw/zinc/39/38/40/570393840.db2.gz SIYSKIUBEJEFHQ-UHFFFAOYSA-N -1 3 398.506 2.032 50 0 GEAAHM COCC(=O)N1CCC(c2nnc(C(=O)[N-]c3ccccc3F)s2)CC1 ZINC000033272964 570404129 /nfs/dbraw/zinc/40/41/29/570404129.db2.gz NLIUDAPKZLDLEI-UHFFFAOYSA-N -1 3 378.429 2.282 50 0 GEAAHM CC(C)Cc1cc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)[n-]c(=O)n1 ZINC000222349076 570408765 /nfs/dbraw/zinc/40/87/65/570408765.db2.gz PTTZCBJFIJVJEE-IEBWSBKVSA-N -1 3 385.464 2.073 50 0 GEAAHM COc1ccc(S(=O)(=O)[N-]c2cc(N3CCCS3(=O)=O)ccc2C)cc1 ZINC000005075785 570411652 /nfs/dbraw/zinc/41/16/52/570411652.db2.gz KEPNCDFKFGLVJI-UHFFFAOYSA-N -1 3 396.490 2.344 50 0 GEAAHM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)OC)c(F)cc2F)c1 ZINC000013004624 570414927 /nfs/dbraw/zinc/41/49/27/570414927.db2.gz DYUDSYICBITAGQ-UHFFFAOYSA-N -1 3 385.344 2.339 50 0 GEAAHM O=C(CSc1c[nH]c(=O)[n-]c1=O)Nc1cccc(Cl)c1N1CCCCC1 ZINC000072242768 570416519 /nfs/dbraw/zinc/41/65/19/570416519.db2.gz PUNHFRYMGSBVFS-UHFFFAOYSA-N -1 3 394.884 2.438 50 0 GEAAHM COCc1nnc([N-]C(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)o1 ZINC000002720197 570508303 /nfs/dbraw/zinc/50/83/03/570508303.db2.gz FKQRMUGJSUTGSF-GFCCVEGCSA-N -1 3 394.453 2.031 50 0 GEAAHM CCS(=O)(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1c1ccco1 ZINC000225497339 570580622 /nfs/dbraw/zinc/58/06/22/570580622.db2.gz HVLWYXMVHQTGRR-OAHLLOKOSA-N -1 3 397.478 2.152 50 0 GEAAHM Cc1nc2nc3ccn([N-]C(=O)c4cccnc4)c(=O)c3c(-c3ccccc3)n2n1 ZINC000038828702 570584042 /nfs/dbraw/zinc/58/40/42/570584042.db2.gz TZIJBWPAPJNHJT-UHFFFAOYSA-N -1 3 397.398 2.194 50 0 GEAAHM CCc1ccc(O)c([N-]S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c1 ZINC000225797163 570618217 /nfs/dbraw/zinc/61/82/17/570618217.db2.gz IJISGJOFEGFWIJ-UHFFFAOYSA-N -1 3 388.445 2.383 50 0 GEAAHM O=S(=O)([N-]Cc1ccc(CN2CCOCC2)cc1)c1cc(F)ccc1F ZINC000012993021 570738558 /nfs/dbraw/zinc/73/85/58/570738558.db2.gz UKUQEOAAJNKPHY-UHFFFAOYSA-N -1 3 382.432 2.276 50 0 GEAAHM Cc1cc(N2CC[C@H]([N-]S(=O)(=O)Cc3cccc(F)c3)C2=O)ccc1F ZINC000065229360 570740192 /nfs/dbraw/zinc/74/01/92/570740192.db2.gz BRFWCEJOIBQGPT-KRWDZBQOSA-N -1 3 380.416 2.498 50 0 GEAAHM COc1ccc(CC(=O)O[C@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000007025948 570742357 /nfs/dbraw/zinc/74/23/57/570742357.db2.gz QUVVLVOYUIDNBJ-CYBMUJFWSA-N -1 3 391.445 2.424 50 0 GEAAHM O=C([N-]c1ccc2c(c1)OCCO2)c1nc(-c2cn(-c3ccccc3)nn2)no1 ZINC000065236618 570743687 /nfs/dbraw/zinc/74/36/87/570743687.db2.gz FMOOLXLCTRDZKY-UHFFFAOYSA-N -1 3 390.359 2.341 50 0 GEAAHM O=C(CC[C@H]1NC(=O)[N-]C1=O)Nc1ccccc1OCCOc1ccccc1 ZINC000065426837 570767877 /nfs/dbraw/zinc/76/78/77/570767877.db2.gz IPUSUATVJREEMK-MRXNPFEDSA-N -1 3 383.404 2.071 50 0 GEAAHM CCOc1ccc(NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)cc1OC ZINC000007274090 570823867 /nfs/dbraw/zinc/82/38/67/570823867.db2.gz XSCVPJMPPIPWAT-UHFFFAOYSA-N -1 3 383.404 2.126 50 0 GEAAHM CN1CCN(c2ncccc2CNC(=O)c2ccc3cccnc3c2[O-])CC1 ZINC000071315102 570832104 /nfs/dbraw/zinc/83/21/04/570832104.db2.gz IMWLCBTZOLITIM-UHFFFAOYSA-N -1 3 377.448 2.017 50 0 GEAAHM COc1ccc2cc([C@@H]3CN(C(=O)c4cnc(C)[n-]c4=O)CCO3)ccc2c1 ZINC000071422100 570833401 /nfs/dbraw/zinc/83/34/01/570833401.db2.gz VAEBHXOKYYXVQQ-IBGZPJMESA-N -1 3 379.416 2.454 50 0 GEAAHM Cc1cc(C)c2c(=O)[n-]c(SCC(=O)NCc3ccc4c(c3)OCO4)nc2n1 ZINC000014240945 570836040 /nfs/dbraw/zinc/83/60/40/570836040.db2.gz NZPJVQUHJCLDEM-UHFFFAOYSA-N -1 3 398.444 2.484 50 0 GEAAHM COc1cccc([C@@H]2CN(C(=O)c3ncccc3[O-])[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000071711939 570843359 /nfs/dbraw/zinc/84/33/59/570843359.db2.gz CPOWUOPLRHWMGR-IOMROCGXSA-N -1 3 379.460 2.498 50 0 GEAAHM CC(C)(C)OC[C@@H](O)CN1CCc2nc(Cc3ccccc3F)[n-]c(=O)c2C1 ZINC000004720302 570859678 /nfs/dbraw/zinc/85/96/78/570859678.db2.gz LYGPEQMKZQTBTK-HNNXBMFYSA-N -1 3 389.471 2.034 50 0 GEAAHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000014372396 570905111 /nfs/dbraw/zinc/90/51/11/570905111.db2.gz WGXZEAFTURMFSP-UHFFFAOYSA-N -1 3 385.445 2.347 50 0 GEAAHM O=C(NCc1ccc([O-])c(F)c1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC000170634692 570929074 /nfs/dbraw/zinc/92/90/74/570929074.db2.gz VYWKGNJSYXOOTF-AWEZNQCLSA-N -1 3 398.390 2.236 50 0 GEAAHM CC(C)n1cnc(S(=O)(=O)[N-]C[C@](O)(c2ccccc2)C2CCOCC2)c1 ZINC000585147588 570977942 /nfs/dbraw/zinc/97/79/42/570977942.db2.gz UCVPROSXEGQQAJ-IBGZPJMESA-N -1 3 393.509 2.057 50 0 GEAAHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CCC2(CC1)OCCO2 ZINC000044920704 570983597 /nfs/dbraw/zinc/98/35/97/570983597.db2.gz WFDAEJBKHWKPLZ-UHFFFAOYSA-N -1 3 398.337 2.406 50 0 GEAAHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@@H]3CCc4ccccc43)cc(C3CC3)nc21 ZINC000045243433 570989429 /nfs/dbraw/zinc/98/94/29/570989429.db2.gz GGHHIBQXVWPGMZ-MRXNPFEDSA-N -1 3 390.443 2.399 50 0 GEAAHM Cc1noc(C)c1S(=O)(=O)[N-]CCCNc1ccc(C(F)(F)F)cn1 ZINC000045811222 570996767 /nfs/dbraw/zinc/99/67/67/570996767.db2.gz JHFQTKYIRPIOIH-UHFFFAOYSA-N -1 3 378.376 2.486 50 0 GEAAHM CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(F)cc(F)c1)CC(=O)N2 ZINC000046075659 571019760 /nfs/dbraw/zinc/01/97/60/571019760.db2.gz GRQGBBOGHSXZDR-JTQLQIEISA-N -1 3 380.376 2.225 50 0 GEAAHM Cc1ccc(OCC(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000011449858 571046567 /nfs/dbraw/zinc/04/65/67/571046567.db2.gz OLRKSXZGWFIAND-UHFFFAOYSA-N -1 3 394.518 2.405 50 0 GEAAHM CN(C(=O)c1ccc(NC(=O)c2ccc(C(=O)[O-])nc2)cc1)[C@H]1CCCN(C)C1 ZINC000607564517 600914808 /nfs/dbraw/zinc/91/48/08/600914808.db2.gz CRHAZWVXVLKKKI-KRWDZBQOSA-N -1 3 396.447 2.198 50 0 GEAAHM CCc1cnc(C)nc1-c1ccc(C(=O)NCCc2nc(N)cc(=O)[n-]2)cc1 ZINC000426507886 529637864 /nfs/dbraw/zinc/63/78/64/529637864.db2.gz NNEGBLRNSYKMHW-UHFFFAOYSA-N -1 3 378.436 2.065 50 0 GEAAHM CCCSc1nnc(Cc2cc(=O)[n-]c(=O)[nH]2)n1-c1ccc(Cl)cc1 ZINC000004061444 531511402 /nfs/dbraw/zinc/51/14/02/531511402.db2.gz PZXFULBQHPZACZ-UHFFFAOYSA-N -1 3 377.857 2.390 50 0 GEAAHM CCN1C(=O)[C@@]2(SC([N-]C(C)=O)=NN2C(C)=O)c2c1c(C)ccc2Cl ZINC000004437024 531513604 /nfs/dbraw/zinc/51/36/04/531513604.db2.gz QNYBXPLYFQWWIF-INIZCTEOSA-N -1 3 380.857 2.170 50 0 GEAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)[C@@H](C)Cn2cc(Br)cn2)N1 ZINC000006394849 531525310 /nfs/dbraw/zinc/52/53/10/531525310.db2.gz JFMBHUSBMWUNAN-CPCISQLKSA-N -1 3 383.168 2.141 50 0 GEAAHM COc1cc(S(=O)(=O)[N-]Cc2ccncc2)c(OC)cc1Br ZINC000006704637 531531353 /nfs/dbraw/zinc/53/13/53/531531353.db2.gz HPNDUFHTLPLSPY-UHFFFAOYSA-N -1 3 387.255 2.340 50 0 GEAAHM O=C(c1ccccc1[O-])N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000008849089 531548502 /nfs/dbraw/zinc/54/85/02/531548502.db2.gz ICSDEKOTJMEMRW-UHFFFAOYSA-N -1 3 386.882 2.254 50 0 GEAAHM CN(Cc1ccco1)S(=O)(=O)c1nnc([N-]C(=O)c2cccs2)s1 ZINC000009405080 531551114 /nfs/dbraw/zinc/55/11/14/531551114.db2.gz RDNUESXFKXZSFK-UHFFFAOYSA-N -1 3 384.464 2.266 50 0 GEAAHM Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1NC=C[C@]1([O-])C(F)(F)F ZINC000006921121 531534382 /nfs/dbraw/zinc/53/43/82/531534382.db2.gz OKHTVCMPUZEEKE-VIFPVBQESA-N -1 3 378.660 2.333 50 0 GEAAHM Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc2n[n-]nc2c1 ZINC000012603450 531553986 /nfs/dbraw/zinc/55/39/86/531553986.db2.gz GFVXDWNFTYFLAD-UHFFFAOYSA-N -1 3 388.225 2.397 50 0 GEAAHM O=S(=O)([N-]CCCN1CCOCC1)c1ccc(Br)cc1Cl ZINC000023425029 531598795 /nfs/dbraw/zinc/59/87/95/531598795.db2.gz FFFMEIBDHYFVPV-UHFFFAOYSA-N -1 3 397.722 2.103 50 0 GEAAHM Cc1nc(C)c(CC(=O)N[C@H](C)Cc2ccc(Br)cc2)c(=O)[n-]1 ZINC000053417055 531762441 /nfs/dbraw/zinc/76/24/41/531762441.db2.gz WREYMMIYFAUELF-SNVBAGLBSA-N -1 3 378.270 2.439 50 0 GEAAHM CS(=O)(=O)N1CCC[C@@H]1c1nnc(C(=O)[N-]c2ccc(F)cc2F)s1 ZINC000064941467 531873009 /nfs/dbraw/zinc/87/30/09/531873009.db2.gz KNQYCIBTHJIKBE-LLVKDONJSA-N -1 3 388.421 2.165 50 0 GEAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccn(C)n3)cc2)cc1 ZINC000001001987 209113885 /nfs/dbraw/zinc/11/38/85/209113885.db2.gz HFYSYBHPOJYWNZ-UHFFFAOYSA-N -1 3 386.433 2.482 50 0 GEAAHM COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000000662960 206313950 /nfs/dbraw/zinc/31/39/50/206313950.db2.gz BCEQAFYQTMMWMG-LBPRGKRZSA-N -1 3 385.214 2.306 50 0 biogenic,in-vitro GEAAHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000001060627 206347097 /nfs/dbraw/zinc/34/70/97/206347097.db2.gz XQBIXMVIQRQNFS-SFHVURJKSA-N -1 3 388.445 2.006 50 0 GEAAHM O=c1ccc(-c2ccc(S(=O)(=O)[N-]CCc3ccc(Cl)cc3)o2)n[nH]1 ZINC000015827718 207063204 /nfs/dbraw/zinc/06/32/04/207063204.db2.gz PQDAJOMINXPYGW-UHFFFAOYSA-N -1 3 379.825 2.204 50 0 GEAAHM O=C1[N-]C(=O)C(=CNc2ccc(S(=O)(=O)C(F)F)cc2)c2ccccc21 ZINC000016720733 207077506 /nfs/dbraw/zinc/07/75/06/207077506.db2.gz BKUIJHLVFDIHOR-NTEUORMPSA-N -1 3 378.356 2.406 50 0 GEAAHM Nc1nc([O-])c([C@@]2(O)C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)s1 ZINC000017879072 207090792 /nfs/dbraw/zinc/09/07/92/207090792.db2.gz VRXJKPIOVFHCBO-RDTXWAMCSA-N -1 3 387.848 2.031 50 0 GEAAHM Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ncccc3[O-])CC2)cc1 ZINC000023080078 207268607 /nfs/dbraw/zinc/26/86/07/207268607.db2.gz XPVGOIMUXGYVMM-UHFFFAOYSA-N -1 3 375.450 2.135 50 0 GEAAHM CC(=O)N[C@H]1CCN(Cc2ccc(-c3nc(-c4ccoc4)cc(=O)[n-]3)cc2)C1 ZINC000023129301 207270174 /nfs/dbraw/zinc/27/01/74/207270174.db2.gz SSVKWSCWVHDONE-SFHVURJKSA-N -1 3 378.432 2.407 50 0 GEAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000028643670 207346989 /nfs/dbraw/zinc/34/69/89/207346989.db2.gz IYKCSZCISTVYSA-LRDDRELGSA-N -1 3 377.466 2.152 50 0 GEAAHM COc1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc(CN2CCCC2=O)cc1 ZINC000065363568 207865229 /nfs/dbraw/zinc/86/52/29/207865229.db2.gz WHBOHSKIXYHMSL-UHFFFAOYSA-N -1 3 392.452 2.435 50 0 GEAAHM CCCCCCN1CC2(CCN(C(=O)c3cnc(C)[n-]c3=O)CC2)OC1=O ZINC000077454706 208044429 /nfs/dbraw/zinc/04/44/29/208044429.db2.gz JPFVPNXEYZCWFN-UHFFFAOYSA-N -1 3 376.457 2.086 50 0 GEAAHM O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cnc(-c2ccncc2)[n-]c1=O ZINC000091621485 208124982 /nfs/dbraw/zinc/12/49/82/208124982.db2.gz BXJKVDUSDHOUFF-INIZCTEOSA-N -1 3 379.420 2.404 50 0 GEAAHM Cc1cc(C)c(-c2cn(CCc3nc(C)cc(=O)[n-]3)nn2)c(-n2cccn2)c1 ZINC000091620303 208125800 /nfs/dbraw/zinc/12/58/00/208125800.db2.gz PIXPWRNODQJRLP-UHFFFAOYSA-N -1 3 375.436 2.382 50 0 GEAAHM O=C(NCCc1c[nH]cn1)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O ZINC000091645127 208129235 /nfs/dbraw/zinc/12/92/35/208129235.db2.gz PDHLOJLBRULKFR-UHFFFAOYSA-N -1 3 392.246 2.363 50 0 GEAAHM O=C(NCCc1cnc[nH]1)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O ZINC000091645127 208129240 /nfs/dbraw/zinc/12/92/40/208129240.db2.gz PDHLOJLBRULKFR-UHFFFAOYSA-N -1 3 392.246 2.363 50 0 GEAAHM COc1ccc([C@@H](C(=O)[O-])N2CCCN(Cc3cccnc3)CC2)c(OC)c1 ZINC000095364384 208162816 /nfs/dbraw/zinc/16/28/16/208162816.db2.gz VJOSKOXFIPPCCN-FQEVSTJZSA-N -1 3 385.464 2.432 50 0 GEAAHM O=C([O-])[C@H](c1ccc2c(c1)OCCO2)N1CCCN(Cc2cccnc2)CC1 ZINC000095370981 208166143 /nfs/dbraw/zinc/16/61/43/208166143.db2.gz WOLWEVDFUAVWPX-FQEVSTJZSA-N -1 3 383.448 2.186 50 0 GEAAHM COc1ccc(Cl)cc1[C@H](C(=O)[O-])N1CCN(C2CCN(C)CC2)CC1 ZINC000095379877 208173282 /nfs/dbraw/zinc/17/32/82/208173282.db2.gz VIGIPHYMMOVLRD-GOSISDBHSA-N -1 3 381.904 2.186 50 0 GEAAHM CN(Cc1cccnc1)[C@H](C(=O)[O-])c1ccc(NC(=O)N2CCOCC2)cc1 ZINC000095388496 208174398 /nfs/dbraw/zinc/17/43/98/208174398.db2.gz BTZOBWYQQPCUSN-SFHVURJKSA-N -1 3 384.436 2.203 50 0 GEAAHM CCCc1c(C(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)[nH]c(C)c1C(C)=O ZINC000095455840 208186108 /nfs/dbraw/zinc/18/61/08/208186108.db2.gz FWNQAHYKSJMCAE-MRXNPFEDSA-N -1 3 396.447 2.481 50 0 GEAAHM CCOC(=O)c1c(-c2ccc(F)cc2)csc1[N-]C(=O)C(=O)NCCCO ZINC000095461263 208187703 /nfs/dbraw/zinc/18/77/03/208187703.db2.gz NRLUBIPKFQHRBD-UHFFFAOYSA-N -1 3 394.424 2.168 50 0 GEAAHM CC(C)OCCS(=O)(=O)[N-][C@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000095945087 208241190 /nfs/dbraw/zinc/24/11/90/208241190.db2.gz LQPOFZOSFJGKTG-ZDUSSCGKSA-N -1 3 392.403 2.257 50 0 GEAAHM COc1cccc(NC(=O)CCC2CCN(C(=O)c3cnc(C)[n-]c3=O)CC2)c1 ZINC000095528985 208230639 /nfs/dbraw/zinc/23/06/39/208230639.db2.gz QEKJXWBREUMDBV-UHFFFAOYSA-N -1 3 398.463 2.358 50 0 GEAAHM COc1ccc(C2=NOC3=C([O-])N(c4ccc(C(C)=O)cc4)C(=O)[C@@H]23)c(OC)c1 ZINC000101358837 208393114 /nfs/dbraw/zinc/39/31/14/208393114.db2.gz RCACTWXMDCYTNJ-HKUYNNGSSA-N -1 3 394.383 2.199 50 0 GEAAHM COCC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@H]1c1ccsc1 ZINC000225516809 208956813 /nfs/dbraw/zinc/95/68/13/208956813.db2.gz ZDTCXCKOUWUJQM-INIZCTEOSA-N -1 3 393.490 2.444 50 0 GEAAHM COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1oc(C)cc(=O)c1[O-] ZINC000096115039 209009929 /nfs/dbraw/zinc/00/99/29/209009929.db2.gz ASSREAKSKUDWIZ-LBPRGKRZSA-N -1 3 378.377 2.375 50 0 GEAAHM Cc1cncn(CC[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1=O ZINC000096119204 209010507 /nfs/dbraw/zinc/01/05/07/209010507.db2.gz CEJAWLUXKVCRNO-UHFFFAOYSA-N -1 3 395.790 2.202 50 0 GEAAHM NC(=O)c1nn[n-]c1NC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 ZINC000241630870 209019285 /nfs/dbraw/zinc/01/92/85/209019285.db2.gz PMAIMIRXCYWFEH-UHFFFAOYSA-N -1 3 397.782 2.255 50 0 GEAAHM NC(=O)c1[n-]nnc1NC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 ZINC000241630870 209019286 /nfs/dbraw/zinc/01/92/86/209019286.db2.gz PMAIMIRXCYWFEH-UHFFFAOYSA-N -1 3 397.782 2.255 50 0 GEAAHM NC(=O)c1n[n-]nc1NC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 ZINC000241630870 209019288 /nfs/dbraw/zinc/01/92/88/209019288.db2.gz PMAIMIRXCYWFEH-UHFFFAOYSA-N -1 3 397.782 2.255 50 0 GEAAHM CCOC([O-])=NC(=O)COC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000016167779 221359278 /nfs/dbraw/zinc/35/92/78/221359278.db2.gz HFGVQTHLJCGRHY-UHFFFAOYSA-N -1 3 377.393 2.086 50 0 GEAAHM CCOC(=O)[N-]C(=O)COC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000016167779 221359280 /nfs/dbraw/zinc/35/92/80/221359280.db2.gz HFGVQTHLJCGRHY-UHFFFAOYSA-N -1 3 377.393 2.086 50 0 GEAAHM Cc1nc([C@H]2CCCN(C(=O)c3cccc([O-])c3)C2)cc(N2CCOCC2)n1 ZINC000072454758 136171020 /nfs/dbraw/zinc/17/10/20/136171020.db2.gz NYFKIAYHPVNLKV-KRWDZBQOSA-N -1 3 382.464 2.347 50 0 GEAAHM Cc1cc(C(=O)[N-]c2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)co2)no1 ZINC000090582962 136175934 /nfs/dbraw/zinc/17/59/34/136175934.db2.gz FJVFENWAZZEWCX-UHFFFAOYSA-N -1 3 399.382 2.325 50 0 GEAAHM COc1ccccc1N1C(=O)[C@@H]2SCC(=O)N(c3ccc(C)cc3)C2=C1[O-] ZINC000101311459 136189433 /nfs/dbraw/zinc/18/94/33/136189433.db2.gz NTVDHCALTRDEQB-QZTJIDSGSA-N -1 3 382.441 2.394 50 0 GEAAHM COc1ccccc1N1C(=O)[C@H]2SCC(=O)N(c3ccc(C)cc3)C2=C1[O-] ZINC000101311453 136189473 /nfs/dbraw/zinc/18/94/73/136189473.db2.gz NTVDHCALTRDEQB-MSOLQXFVSA-N -1 3 382.441 2.394 50 0 GEAAHM Cn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc2c1nc[n-]c2=O ZINC000012427859 560212004 /nfs/dbraw/zinc/21/20/04/560212004.db2.gz RXKLYNPCLVNOOG-UHFFFAOYSA-N -1 3 383.355 2.406 50 0 biogenic,in-vitro GEAAHM CS(=O)(=O)[N-]c1ccc(C(=O)CSc2nnc(CN3CCCC3)o2)cc1 ZINC000049560932 570270169 /nfs/dbraw/zinc/27/01/69/570270169.db2.gz MHHBFLQRKFBXPA-UHFFFAOYSA-N -1 3 396.494 2.012 50 0 GEAAHM CCCn1c(=O)[n-]nc1S[C@@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000021128834 570292475 /nfs/dbraw/zinc/29/24/75/570292475.db2.gz ZFZWQCQYCGVTDC-HNNXBMFYSA-N -1 3 389.525 2.219 50 0 GEAAHM O=C(CN1CCC(C(=O)Nc2ccccc2[O-])CC1)NCc1ccccc1F ZINC000012929994 570298162 /nfs/dbraw/zinc/29/81/62/570298162.db2.gz XTFQMENWSHUBGY-UHFFFAOYSA-N -1 3 385.439 2.498 50 0 GEAAHM Cn1ccnc1COc1ccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1 ZINC000053527933 570325216 /nfs/dbraw/zinc/32/52/16/570325216.db2.gz LLURPUPYWWSBBP-UHFFFAOYSA-N -1 3 375.392 2.432 50 0 GEAAHM Cn1ccnc1COc1ccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1 ZINC000053527933 570325219 /nfs/dbraw/zinc/32/52/19/570325219.db2.gz LLURPUPYWWSBBP-UHFFFAOYSA-N -1 3 375.392 2.432 50 0 GEAAHM Cn1ccnc1COc1ccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000053527933 570325223 /nfs/dbraw/zinc/32/52/23/570325223.db2.gz LLURPUPYWWSBBP-UHFFFAOYSA-N -1 3 375.392 2.432 50 0 GEAAHM COc1ccc([C@@H]2[C@H](S(=O)(=O)[N-]CCc3ccccc3)CON2C)cc1 ZINC000034738794 570329717 /nfs/dbraw/zinc/32/97/17/570329717.db2.gz RGHJVISWGBHVQI-RTBURBONSA-N -1 3 376.478 2.144 50 0 GEAAHM COC(=O)c1cn([N-]C(=O)c2ccc(OC)cc2OC)c(=O)c2ccccc12 ZINC000003630755 570349333 /nfs/dbraw/zinc/34/93/33/570349333.db2.gz GFCARHCYWIESEW-UHFFFAOYSA-N -1 3 382.372 2.189 50 0 GEAAHM O=C1N[C@H](c2ccc(O)cc2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000004183833 570362042 /nfs/dbraw/zinc/36/20/42/570362042.db2.gz XARPOSJFZZXPCU-JJRVBVJISA-N -1 3 380.322 2.496 50 0 GEAAHM COC(=O)[C@@]([O-])(c1ccc(N2C(=O)c3ccccc3C2=O)cc1)C(F)(F)F ZINC000004343646 570369844 /nfs/dbraw/zinc/36/98/44/570369844.db2.gz IVYHMZMZWHIHAL-KRWDZBQOSA-N -1 3 379.290 2.410 50 0 GEAAHM NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000004809461 570407024 /nfs/dbraw/zinc/40/70/24/570407024.db2.gz RNBVZQGQCLVVIS-UHFFFAOYSA-N -1 3 385.239 2.114 50 0 GEAAHM CC[C@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000035610360 570555855 /nfs/dbraw/zinc/55/58/55/570555855.db2.gz CZGAGZRJLFEJBK-MRVPVSSYSA-N -1 3 387.093 2.261 50 0 GEAAHM O=C(N[C@]1(C(F)(F)F)[N-]C(=O)N(Cc2cccnc2)C1=O)c1cccs1 ZINC000036383756 570564666 /nfs/dbraw/zinc/56/46/66/570564666.db2.gz YDOJTXAAUPLPGZ-AWEZNQCLSA-N -1 3 384.339 2.088 50 0 GEAAHM O=C(/C=C/c1cccnc1)N1CCC[C@H](C[N-]S(=O)(=O)c2cccs2)C1 ZINC000012198877 570623979 /nfs/dbraw/zinc/62/39/79/570623979.db2.gz CVCVTHPFAOQKJZ-KXPUMZMLSA-N -1 3 391.518 2.373 50 0 GEAAHM O=c1cc(CSc2ncccn2)nc(N2CCN(c3ccccc3)CC2)[n-]1 ZINC000012325183 570642649 /nfs/dbraw/zinc/64/26/49/570642649.db2.gz AXNHITNVOVGCDS-UHFFFAOYSA-N -1 3 380.477 2.179 50 0 GEAAHM C[C@H](NC(=O)c1ccoc1)C(=O)Nc1nc(-c2cccc3ccccc32)n[n-]1 ZINC000058167535 570714451 /nfs/dbraw/zinc/71/44/51/570714451.db2.gz SGWKKCXMISFKHU-LBPRGKRZSA-N -1 3 375.388 2.397 50 0 GEAAHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]Cc1ccc2c(c1)OCO2 ZINC000059842299 570739937 /nfs/dbraw/zinc/73/99/37/570739937.db2.gz FDMUJFSSBMTIJZ-UHFFFAOYSA-N -1 3 389.838 2.395 50 0 GEAAHM CCc1nc(C2CCN(Cc3cnc(N4CCOCC4)s3)CC2)cc(=O)[n-]1 ZINC000063856967 570751688 /nfs/dbraw/zinc/75/16/88/570751688.db2.gz KQXWCRHXVMZILN-UHFFFAOYSA-N -1 3 389.525 2.005 50 0 GEAAHM O=c1[n-]c(=O)c(CN2CCc3[nH]nc(-c4ccc(C(F)(F)F)cc4)c3C2)c[nH]1 ZINC000067446545 570780015 /nfs/dbraw/zinc/78/00/15/570780015.db2.gz CRLVZIRJLIIEMI-UHFFFAOYSA-N -1 3 391.353 2.030 50 0 GEAAHM Cc1cc2c(c(C)c1)[C@H](CC(=O)NCCc1cc(=O)[n-]c(C(C)C)n1)C(=O)N2 ZINC000067513570 570780904 /nfs/dbraw/zinc/78/09/04/570780904.db2.gz KAGFRTTWEUXSCG-HNNXBMFYSA-N -1 3 382.464 2.295 50 0 GEAAHM CCn1nc(C(=O)[O-])c2c1CC[C@@H](NCc1csc(-c3cnccn3)n1)C2 ZINC000067641449 570784311 /nfs/dbraw/zinc/78/43/11/570784311.db2.gz DZQRGQHAMNAEKK-LLVKDONJSA-N -1 3 384.465 2.162 50 0 GEAAHM Cn1nc([C@@H]2CCCN(C(=O)c3cccc([O-])c3)C2)n(-c2ccccc2)c1=O ZINC000067690373 570786795 /nfs/dbraw/zinc/78/67/95/570786795.db2.gz HPCJSHGTSCBKGJ-MRXNPFEDSA-N -1 3 378.432 2.296 50 0 GEAAHM CCCn1nc(C(=O)[O-])c2c1CC[C@@H](N1CCC(O)(c3ccccn3)CC1)C2 ZINC000067691708 570786827 /nfs/dbraw/zinc/78/68/27/570786827.db2.gz NJMCVYNZBFNYHA-OAHLLOKOSA-N -1 3 384.480 2.227 50 0 GEAAHM Cc1cccc2c(=O)c(C(=O)N3CCc4c(nc(C)nc4N(C)C)C3)c[n-]c12 ZINC000071662726 570842442 /nfs/dbraw/zinc/84/24/42/570842442.db2.gz WPCBFVQQCDAFJV-UHFFFAOYSA-N -1 3 377.448 2.199 50 0 GEAAHM Cc1nc2c(c(=O)[n-]1)CCN(S(=O)(=O)c1cc(Cl)c(Cl)s1)C2 ZINC000071749397 570846282 /nfs/dbraw/zinc/84/62/82/570846282.db2.gz TVYFZVQWGPNENX-UHFFFAOYSA-N -1 3 380.278 2.194 50 0 GEAAHM COc1ccc(C(=O)N2CCc3c(nc(-c4ccccc4)[n-]c3=O)C2)cc1O ZINC000072124081 570867172 /nfs/dbraw/zinc/86/71/72/570867172.db2.gz YKXQZYRJNNEFAK-UHFFFAOYSA-N -1 3 377.400 2.350 50 0 GEAAHM Cc1nc2c(c(=O)[n-]1)CCN(C(=O)[C@]1(C)CCc3c(C)c(O)c(C)c(C)c3O1)C2 ZINC000072161072 570874918 /nfs/dbraw/zinc/87/49/18/570874918.db2.gz OYSNRKBUIOYLFW-QFIPXVFZSA-N -1 3 397.475 2.378 50 0 GEAAHM Cc1nn(C)c(C)c1CN(C)C[C@H](CC(=O)Nc1ccc(F)cc1)C(=O)[O-] ZINC000071283411 570887495 /nfs/dbraw/zinc/88/74/95/570887495.db2.gz SVGGGGJEKFNFQI-AWEZNQCLSA-N -1 3 376.432 2.337 50 0 GEAAHM CCCC1(CCC)NC(=O)N(CC(=O)N=c2cc[n-]n2[C@H](C)C2CC2)C1=O ZINC000252506507 570978678 /nfs/dbraw/zinc/97/86/78/570978678.db2.gz UGKZLLVOFSXTMB-CYBMUJFWSA-N -1 3 375.473 2.105 50 0 GEAAHM CN(C(=O)CSc1nc2c(nc[n-]c2=O)n1C[C@H]1CCCO1)c1ccccc1 ZINC000046031468 571013442 /nfs/dbraw/zinc/01/34/42/571013442.db2.gz NNLRKGBEQCRCIX-CQSZACIVSA-N -1 3 399.476 2.054 50 0 GEAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc(F)c1)CC(=O)N2 ZINC000046074070 571019167 /nfs/dbraw/zinc/01/91/67/571019167.db2.gz DJPLDEQRGCAYLH-LLVKDONJSA-N -1 3 376.413 2.476 50 0 GEAAHM O=C(c1n[nH]c2ccccc21)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011452088 571046954 /nfs/dbraw/zinc/04/69/54/571046954.db2.gz WAYCNYLYJXZSFR-UHFFFAOYSA-N -1 3 390.490 2.208 50 0 GEAAHM CN(Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000018708514 210219406 /nfs/dbraw/zinc/21/94/06/210219406.db2.gz KGKJEFHNSIECPK-CYBMUJFWSA-N -1 3 389.502 2.271 50 0 GEAAHM CCCCc1ccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc1 ZINC000014217889 210110674 /nfs/dbraw/zinc/11/06/74/210110674.db2.gz LHIXRNMOZAWHFY-UHFFFAOYSA-N -1 3 380.242 2.280 50 0 GEAAHM O=S(=O)([N-][C@H](CN1CCOCC1)c1ccccc1)c1cc(F)cc(F)c1 ZINC000013001146 210043934 /nfs/dbraw/zinc/04/39/34/210043934.db2.gz PYZRHWFMIJTZMK-GOSISDBHSA-N -1 3 382.432 2.317 50 0 GEAAHM Cc1cc(=O)c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)nn1-c1ccccc1F ZINC000012974015 210037303 /nfs/dbraw/zinc/03/73/03/210037303.db2.gz PLOQGDFOIWRVGR-UHFFFAOYSA-N -1 3 382.277 2.069 50 0 GEAAHM Cc1cc(=O)c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)nn1-c1ccccc1F ZINC000012974015 210037308 /nfs/dbraw/zinc/03/73/08/210037308.db2.gz PLOQGDFOIWRVGR-UHFFFAOYSA-N -1 3 382.277 2.069 50 0 GEAAHM COc1ccccc1NC(=O)Cc1noc(COC(=O)c2ccc([O-])cc2)n1 ZINC000011077950 209870270 /nfs/dbraw/zinc/87/02/70/209870270.db2.gz VZZMHAKWXFGJNZ-UHFFFAOYSA-N -1 3 383.360 2.322 50 0 GEAAHM CCOC(=O)[C@]([O-])(NNc1ncc(C(F)(F)F)cc1Cl)C(F)(F)F ZINC000004002200 531510847 /nfs/dbraw/zinc/51/08/47/531510847.db2.gz OEAVPICZCAYERS-SECBINFHSA-N -1 3 381.660 2.484 50 0 GEAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1S(=O)(=O)N(C)C ZINC000005252663 531517557 /nfs/dbraw/zinc/51/75/57/531517557.db2.gz LBUDWTJKCLRWMO-UHFFFAOYSA-N -1 3 384.479 2.055 50 0 GEAAHM COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c1c(=O)[n-]c(=O)n2C ZINC000006549853 531526387 /nfs/dbraw/zinc/52/63/87/531526387.db2.gz FLSQPGRSFCQEBV-UHFFFAOYSA-N -1 3 380.187 2.382 50 0 GEAAHM O=C1c2ccccc2S(=O)(=O)N1CCSc1n[n-]c(-c2cccs2)n1 ZINC000012621839 531553058 /nfs/dbraw/zinc/55/30/58/531553058.db2.gz VFJZRIBBBKGQKA-UHFFFAOYSA-N -1 3 392.487 2.470 50 0 GEAAHM C[C@@H](OC(=O)Cn1cc(Br)c(=O)[n-]c1=O)c1ccccc1Cl ZINC000006879071 531534821 /nfs/dbraw/zinc/53/48/21/531534821.db2.gz HMECCRIRXNULFO-MRVPVSSYSA-N -1 3 387.617 2.257 50 0 GEAAHM O=C([N-]OCc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000023040097 531593593 /nfs/dbraw/zinc/59/35/93/531593593.db2.gz MJFPJZNAVNAOKG-HNNXBMFYSA-N -1 3 380.491 2.397 50 0 GEAAHM COc1cccc([C@@H](C[N-]S(=O)(=O)c2cccs2)N2CCOCC2)c1 ZINC000023108027 531594910 /nfs/dbraw/zinc/59/49/10/531594910.db2.gz WWVXMTYEFZUOKT-MRXNPFEDSA-N -1 3 382.507 2.109 50 0 GEAAHM Cn1ccc(NC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)n1 ZINC000025169434 531613887 /nfs/dbraw/zinc/61/38/87/531613887.db2.gz QBIUPWZFFMQXSA-UHFFFAOYSA-N -1 3 389.264 2.420 50 0 GEAAHM COC(=O)c1ccc(Br)c(S(=O)(=O)[N-]Cc2ccccn2)c1 ZINC000048264212 531728710 /nfs/dbraw/zinc/72/87/10/531728710.db2.gz KMFRIUWAAIVZRH-UHFFFAOYSA-N -1 3 385.239 2.109 50 0 GEAAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCC3)o2)cs1 ZINC000065098747 531871892 /nfs/dbraw/zinc/87/18/92/531871892.db2.gz VUKMLGBFAXHBQA-SNVBAGLBSA-N -1 3 384.483 2.111 50 0 GEAAHM CC[C@H](C)[N-]S(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCC3)o2)cs1 ZINC000065098749 531873120 /nfs/dbraw/zinc/87/31/20/531873120.db2.gz VUKMLGBFAXHBQA-JTQLQIEISA-N -1 3 384.483 2.111 50 0 GEAAHM Cn1cc(CCNC(=O)c2c[n-]c3ccc(Br)cc3c2=O)cn1 ZINC000170594481 531883830 /nfs/dbraw/zinc/88/38/30/531883830.db2.gz XPERLWBJDQQIPC-UHFFFAOYSA-N -1 3 375.226 2.409 50 0 GEAAHM C[C@H](CN1CCOCC1)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000170594478 531884738 /nfs/dbraw/zinc/88/47/38/531884738.db2.gz WKZYRAHANNTUIG-LLVKDONJSA-N -1 3 394.269 2.153 50 0 GEAAHM O=C1NCCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000186347627 532340633 /nfs/dbraw/zinc/34/06/33/532340633.db2.gz WZVSCFZAGXCCHD-AWEZNQCLSA-N -1 3 386.901 2.466 50 0 GEAAHM CN1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)CCC1=O ZINC000187135638 532343420 /nfs/dbraw/zinc/34/34/20/532343420.db2.gz NFKFESMAWGHJDG-AWEZNQCLSA-N -1 3 386.901 2.418 50 0 GEAAHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000241124367 532518803 /nfs/dbraw/zinc/51/88/03/532518803.db2.gz JHQXTKKXNBNEMN-SDDRHHMPSA-N -1 3 384.274 2.187 50 0 GEAAHM O=C(N[C@@]1(C(F)(F)F)[N-]C(=O)N(Cc2ccco2)C1=O)c1ccccc1F ZINC000002220136 209351289 /nfs/dbraw/zinc/35/12/89/209351289.db2.gz YVTZPOFZYKDORE-OAHLLOKOSA-N -1 3 385.273 2.364 50 0 GEAAHM O=C1N[C@H](c2ccc(O)cc2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000001009630 209289463 /nfs/dbraw/zinc/28/94/63/209289463.db2.gz XARPOSJFZZXPCU-CPUCHLNUSA-N -1 3 380.322 2.496 50 0 GEAAHM CCOc1ccc(-n2nnnc2C[N-]S(=O)(=O)c2ccc(CC)s2)cc1 ZINC000009571150 209282202 /nfs/dbraw/zinc/28/22/02/209282202.db2.gz YQYAKSVFXJFDIG-UHFFFAOYSA-N -1 3 393.494 2.163 50 0 GEAAHM O=C(Nc1ccccc1[O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000000837317 209270925 /nfs/dbraw/zinc/27/09/25/209270925.db2.gz LTSXMFGJMKMIFI-UHFFFAOYSA-N -1 3 396.852 2.319 50 0 GEAAHM Cc1nn(CC(=O)N2NC(C)=C[C@]2([O-])C(F)(F)F)c(C)c1Br ZINC000000653435 209255257 /nfs/dbraw/zinc/25/52/57/209255257.db2.gz CQINLJFZKJWGRG-NSHDSACASA-N -1 3 383.168 2.122 50 0 GEAAHM Cc1cc(=NC(=O)c2nc(C)sc2CC(C)C)n([C@@H]2CCS(=O)(=O)C2)[n-]1 ZINC000334159137 212043022 /nfs/dbraw/zinc/04/30/22/212043022.db2.gz CVNYLEBSACUUHC-CYBMUJFWSA-N -1 3 396.538 2.189 50 0 GEAAHM CCOC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1cccc(C(C)=O)c1 ZINC000004317627 211538207 /nfs/dbraw/zinc/53/82/07/211538207.db2.gz QVNANCSRUCQQDU-UHFFFAOYSA-N -1 3 389.433 2.188 50 0 GEAAHM COC(=O)c1ccccc1N1C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NOC2=C1[O-] ZINC000101273057 211396245 /nfs/dbraw/zinc/39/62/45/211396245.db2.gz TUGPHPDLIJKZNO-ZBFHGGJFSA-N -1 3 384.775 2.419 50 0 GEAAHM O=C(N[C@@H]1CCN(C(=O)OCc2ccccc2)C1)c1ccccc1-c1nnn[n-]1 ZINC000097766477 211370346 /nfs/dbraw/zinc/37/03/46/211370346.db2.gz RFCBTTFBMKKTBU-OAHLLOKOSA-N -1 3 392.419 2.008 50 0 GEAAHM O=C(N[C@@H]1CCN(C(=O)OCc2ccccc2)C1)c1ccccc1-c1nn[n-]n1 ZINC000097766477 211370350 /nfs/dbraw/zinc/37/03/50/211370350.db2.gz RFCBTTFBMKKTBU-OAHLLOKOSA-N -1 3 392.419 2.008 50 0 GEAAHM COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3ccc(F)c(F)c3)C2=O)cc1 ZINC000096396225 211339709 /nfs/dbraw/zinc/33/97/09/211339709.db2.gz ZXSJWHFLSBYKBU-MRXNPFEDSA-N -1 3 382.388 2.057 50 0 GEAAHM Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)c3ccc(F)c(F)c3)C2=O)ccc1F ZINC000096396389 211339170 /nfs/dbraw/zinc/33/91/70/211339170.db2.gz MFDYIRZUUXHHQW-MRXNPFEDSA-N -1 3 384.379 2.496 50 0 GEAAHM Cn1c(CN2CCCC2)nnc1C1CCN(Cc2ccccc2C(=O)[O-])CC1 ZINC000096162641 211313340 /nfs/dbraw/zinc/31/33/40/211313340.db2.gz BOMYEMPJFXPDGQ-UHFFFAOYSA-N -1 3 383.496 2.489 50 0 GEAAHM Cc1ccc([C@@H](C(=O)[O-])N2CCC(C(N)=O)(N3CCCCC3)CC2)c(F)c1 ZINC000095376229 211229380 /nfs/dbraw/zinc/22/93/80/211229380.db2.gz XYRDPIVLSUSKOT-KRWDZBQOSA-N -1 3 377.460 2.066 50 0 GEAAHM O=C(c1cnc(Nc2ccccc2)nc1)N1CCC[C@H](c2cc(=O)[n-]cn2)C1 ZINC000091604426 211198614 /nfs/dbraw/zinc/19/86/14/211198614.db2.gz FZJXLVMBSLLHHB-AWEZNQCLSA-N -1 3 376.420 2.323 50 0 GEAAHM Cc1nnc(CNC(=O)c2cnc(Cc3c(Cl)cccc3Cl)[n-]c2=O)[nH]1 ZINC000091624800 211198650 /nfs/dbraw/zinc/19/86/50/211198650.db2.gz ATZHLRVKWIVRFL-UHFFFAOYSA-N -1 3 393.234 2.024 50 0 GEAAHM CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)OCc1ncc(-c2ccc(F)cc2)o1 ZINC000089942194 211188573 /nfs/dbraw/zinc/18/85/73/211188573.db2.gz YUOBEVNMUCAEDS-BZNIZROVSA-N -1 3 384.429 2.488 50 0 GEAAHM CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCc1ncc(-c2ccc(F)cc2)o1 ZINC000089942197 211187243 /nfs/dbraw/zinc/18/72/43/211187243.db2.gz YUOBEVNMUCAEDS-MEDUHNTESA-N -1 3 384.429 2.488 50 0 GEAAHM CC(=O)c1ccc([N-]C(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)nc1 ZINC000089331248 211179858 /nfs/dbraw/zinc/17/98/58/211179858.db2.gz AQTIVZMLFFTCCI-UHFFFAOYSA-N -1 3 377.422 2.304 50 0 GEAAHM CCOc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)C[C@@H]2CCO)cc1 ZINC000072418708 211115657 /nfs/dbraw/zinc/11/56/57/211115657.db2.gz QNQCDSIZEKPYKT-IBGZPJMESA-N -1 3 384.476 2.500 50 0 GEAAHM COc1cccc([C@H]2CN(C(=O)c3ncccc3[O-])[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072132121 211074064 /nfs/dbraw/zinc/07/40/64/211074064.db2.gz CPOWUOPLRHWMGR-DUXKGJEZSA-N -1 3 379.460 2.498 50 0 GEAAHM O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCCN(Cc2cc(=O)[n-]c(=O)[nH]2)C1 ZINC000071761432 211057897 /nfs/dbraw/zinc/05/78/97/211057897.db2.gz LJCLVRNITISMHN-LBPRGKRZSA-N -1 3 381.354 2.177 50 0 GEAAHM Cc1ccc(CN2C[C@@H](C(=O)[O-])C[C@H](C(=O)NCc3cccnc3)C2)c(F)c1 ZINC000071707788 211051118 /nfs/dbraw/zinc/05/11/18/211051118.db2.gz FHXPUHFTBWALMK-ROUUACIJSA-N -1 3 385.439 2.368 50 0 GEAAHM Cc1ncc(CC(=O)N2CCC[C@@H](c3n[nH]cc3-c3ccccc3)C2)c(=O)[n-]1 ZINC000067804857 211023544 /nfs/dbraw/zinc/02/35/44/211023544.db2.gz BFJFKVWYUOOAKE-MRXNPFEDSA-N -1 3 377.448 2.417 50 0 GEAAHM Cc1ncc(CC(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccccc3)C2)c(=O)[n-]1 ZINC000067804857 211023547 /nfs/dbraw/zinc/02/35/47/211023547.db2.gz BFJFKVWYUOOAKE-MRXNPFEDSA-N -1 3 377.448 2.417 50 0 GEAAHM CN1CCN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)C[C@@H]1C(=O)[O-] ZINC000067756170 211020730 /nfs/dbraw/zinc/02/07/30/211020730.db2.gz UTHBAGFFFLSUIM-LJQANCHMSA-N -1 3 377.448 2.135 50 0 GEAAHM Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)c1cnc[n-]c1=O)CCO2 ZINC000067783992 211022019 /nfs/dbraw/zinc/02/20/19/211022019.db2.gz HQUFUOKZRSEPPT-UHFFFAOYSA-N -1 3 377.400 2.486 50 0 GEAAHM Cc1c(C(=O)[O-])sc2ncnc(N3CCN(CC(C)C)[C@H](CCO)C3)c12 ZINC000067541123 211011414 /nfs/dbraw/zinc/01/14/14/211011414.db2.gz LJKBVWNYWKDPOY-CYBMUJFWSA-N -1 3 378.498 2.227 50 0 GEAAHM Cc1nc(C)c(CC(=O)NCc2cccnc2N2CCCCCCC2)c(=O)[n-]1 ZINC000067432197 211010268 /nfs/dbraw/zinc/01/02/68/211010268.db2.gz UCKNRRAHKXFOPF-UHFFFAOYSA-N -1 3 383.496 2.411 50 0 GEAAHM C[C@@H](NS(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2)c1ccc(F)cc1 ZINC000067446579 211009291 /nfs/dbraw/zinc/00/92/91/211009291.db2.gz LZNXCIRNLRBCME-SECBINFHSA-N -1 3 384.454 2.271 50 0 GEAAHM CCn1nc(C(=O)[O-])c2c1CC[C@H](NCc1csc(-c3cnccn3)n1)C2 ZINC000067641450 211013614 /nfs/dbraw/zinc/01/36/14/211013614.db2.gz DZQRGQHAMNAEKK-NSHDSACASA-N -1 3 384.465 2.162 50 0 GEAAHM CC(=O)NCc1ccc(S(=O)(=O)[N-]Cc2ccc(OC(F)F)cc2)s1 ZINC000032551524 210576442 /nfs/dbraw/zinc/57/64/42/210576442.db2.gz XBDUTKNPKDSGHQ-UHFFFAOYSA-N -1 3 390.433 2.464 50 0 GEAAHM O=c1ccc(-c2ccc(S(=O)(=O)[N-]CCCc3ccccc3)s2)n[nH]1 ZINC000021531488 210383022 /nfs/dbraw/zinc/38/30/22/210383022.db2.gz APLRCYDJAHJYSM-UHFFFAOYSA-N -1 3 375.475 2.410 50 0 GEAAHM CCC(NCCN1CCCCC1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000020327042 210329139 /nfs/dbraw/zinc/32/91/39/210329139.db2.gz SBSTUVKXLUOUNU-ISLYRVAYSA-N -1 3 384.480 2.005 50 0 GEAAHM CCC(NCCN1CCCCC1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000020290199 210327423 /nfs/dbraw/zinc/32/74/23/210327423.db2.gz SECNXXHSJOLKDN-ISLYRVAYSA-N -1 3 384.480 2.317 50 0 GEAAHM CCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1ccc(OC)cc1)C3 ZINC000019821183 210299955 /nfs/dbraw/zinc/29/99/55/210299955.db2.gz KHHMAMSCHURLCN-ZDUSSCGKSA-N -1 3 379.416 2.416 50 0 GEAAHM COc1c(Cl)c(Cl)ccc1S(=O)(=O)[N-]CCCN1CCOCC1 ZINC000019594625 210274911 /nfs/dbraw/zinc/27/49/11/210274911.db2.gz RSJHLRYTCYHQOH-UHFFFAOYSA-N -1 3 383.297 2.003 50 0 GEAAHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2N2CCCCC2)c(C)c1 ZINC000096013525 136183205 /nfs/dbraw/zinc/18/32/05/136183205.db2.gz TZZRYMIEDNNKLF-UHFFFAOYSA-N -1 3 389.477 2.390 50 0 GEAAHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000098087058 136188963 /nfs/dbraw/zinc/18/89/63/136188963.db2.gz VRFDQVJLTNDCED-UHFFFAOYSA-N -1 3 388.493 2.198 50 0 GEAAHM O=S(=O)([N-]CCCN1CCN(c2ccccc2)CC1)c1cc(F)ccc1F ZINC000012068901 136200005 /nfs/dbraw/zinc/20/00/05/136200005.db2.gz SKSFLHZDHUKKLW-UHFFFAOYSA-N -1 3 395.475 2.455 50 0 GEAAHM CCc1cc(=O)[n-]c(-c2ccc(N3CCN(C(=O)c4ccoc4C)CC3)nc2)n1 ZINC000068669508 536090628 /nfs/dbraw/zinc/09/06/28/536090628.db2.gz OUDNUSKGBGSNMW-UHFFFAOYSA-N -1 3 393.447 2.258 50 0 GEAAHM Cn1c(SCC(=O)Nc2ccc(Br)cc2)nc2c1nc[n-]c2=O ZINC000012427850 560211969 /nfs/dbraw/zinc/21/19/69/560211969.db2.gz LZSKSTYJGTWFCN-UHFFFAOYSA-N -1 3 394.254 2.150 50 0 biogenic,in-vitro GEAAHM CC[C@H](C)N(CC(=O)[O-])CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000236953645 570305942 /nfs/dbraw/zinc/30/59/42/570305942.db2.gz UWUBJOGWANLAHX-SFHVURJKSA-N -1 3 375.513 2.214 50 0 GEAAHM COC(=O)c1sccc1S(=O)(=O)[N-]CC[C@H](CCO)c1cccs1 ZINC000575608831 570331957 /nfs/dbraw/zinc/33/19/57/570331957.db2.gz ZPUPWXSVCABJOH-LLVKDONJSA-N -1 3 389.520 2.431 50 0 GEAAHM Cc1nn(CC[N-]S(=O)(=O)c2cn(C)c(C)n2)c(C)c1-c1cccs1 ZINC000575612515 570337391 /nfs/dbraw/zinc/33/73/91/570337391.db2.gz GIGUVSZSLKEUKL-UHFFFAOYSA-N -1 3 379.511 2.249 50 0 GEAAHM Cn1ccnc1CN(CCO)Cc1cccc(-c2nc(C(C)(C)C)cc(=O)[n-]2)c1 ZINC000023129283 570345776 /nfs/dbraw/zinc/34/57/76/570345776.db2.gz QNYJRXSOXFGRPP-UHFFFAOYSA-N -1 3 395.507 2.462 50 0 GEAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000004879860 570353974 /nfs/dbraw/zinc/35/39/74/570353974.db2.gz NZQFDNNYULXYRO-MRXNPFEDSA-N -1 3 396.490 2.096 50 0 GEAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nccnc1-c1cnn(C)c1 ZINC000575621027 570368696 /nfs/dbraw/zinc/36/86/96/570368696.db2.gz XKPWJCSCELZZTJ-UHFFFAOYSA-N -1 3 393.856 2.018 50 0 GEAAHM COc1ccc(NC(C)=O)cc1NC(=O)CCc1c(C)[nH]c(=S)[n-]c1=O ZINC000010935404 570377830 /nfs/dbraw/zinc/37/78/30/570377830.db2.gz JDCIYYQVCAXNPB-UHFFFAOYSA-N -1 3 376.438 2.279 50 0 GEAAHM O=C([N-]c1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2)c1csnn1 ZINC000011914403 570447861 /nfs/dbraw/zinc/44/78/61/570447861.db2.gz YNCZVDBREMGEHF-VIFPVBQESA-N -1 3 378.479 2.249 50 0 GEAAHM Cc1ccccc1Nc1nc(-c2cnc(N3CCN(C)CC3)nc2C)cc(=O)[n-]1 ZINC000036235651 570561129 /nfs/dbraw/zinc/56/11/29/570561129.db2.gz LSQNIBSHINACKW-UHFFFAOYSA-N -1 3 391.479 2.339 50 0 GEAAHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CCCO[C@H]2CCCCO2)c1 ZINC000225547466 570586649 /nfs/dbraw/zinc/58/66/49/570586649.db2.gz UNNXFCKUXIYMGS-HNNXBMFYSA-N -1 3 391.873 2.338 50 0 GEAAHM COc1ccc(C(=O)NCC(=O)OCc2cc(=O)oc3c(C)c([O-])ccc23)cc1 ZINC000007000470 570733082 /nfs/dbraw/zinc/73/30/82/570733082.db2.gz BGZXZHXXHJARGK-UHFFFAOYSA-N -1 3 397.383 2.289 50 0 GEAAHM Nc1nc([C@H]2C[C@@H](NC(=O)CN3CCC(c4ccccc4)CC3)C2)cc(=O)[n-]1 ZINC000253534999 570733811 /nfs/dbraw/zinc/73/38/11/570733811.db2.gz BRATURRWPFLNRG-CALCHBBNSA-N -1 3 381.480 2.006 50 0 GEAAHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000000991058 570742368 /nfs/dbraw/zinc/74/23/68/570742368.db2.gz NZUANQHZMJYUJR-UHFFFAOYSA-N -1 3 396.852 2.319 50 0 GEAAHM CCc1nc(C2CCN(C(=O)c3cc4c(nc3OC)CCC4)CC2)cc(=O)[n-]1 ZINC000063855904 570751773 /nfs/dbraw/zinc/75/17/73/570751773.db2.gz RTIGWCRFWFEIFN-UHFFFAOYSA-N -1 3 382.464 2.244 50 0 GEAAHM Cc1nc([C@@H]2CCCN(CCC(=O)Nc3nnc(C4CC4)s3)C2)cc(=O)[n-]1 ZINC000065405582 570766640 /nfs/dbraw/zinc/76/66/40/570766640.db2.gz FPGASNVAOKFEQA-CYBMUJFWSA-N -1 3 388.497 2.428 50 0 GEAAHM COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)N[C@H]1CCCc2ccccc21 ZINC000031618208 570818508 /nfs/dbraw/zinc/81/85/08/570818508.db2.gz CYCRQMKCGKWHGD-AWEZNQCLSA-N -1 3 387.461 2.151 50 0 GEAAHM COc1cc(OC)c(N2C[C@@H](C(=O)Nc3ncccc3[O-])CC2=O)cc1Cl ZINC000012527192 570831857 /nfs/dbraw/zinc/83/18/57/570831857.db2.gz YFBLJXATKQPXMT-JTQLQIEISA-N -1 3 391.811 2.449 50 0 GEAAHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(N)=O)cc2)cc1C ZINC000032831067 570844714 /nfs/dbraw/zinc/84/47/14/570844714.db2.gz JGOZFNYUQHGTPH-UHFFFAOYSA-N -1 3 379.438 2.312 50 0 GEAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CC1CCN(c2ncccn2)CC1 ZINC000043955626 570844886 /nfs/dbraw/zinc/84/48/86/570844886.db2.gz QLHKQJWUUJQVIE-UHFFFAOYSA-N -1 3 396.900 2.334 50 0 GEAAHM Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[C@@H]3[N-]S(=O)(=O)c2cccs2)cn1 ZINC000097124975 570897922 /nfs/dbraw/zinc/89/79/22/570897922.db2.gz DBFPBFISEDWCAM-KKUMJFAQSA-N -1 3 377.491 2.033 50 0 GEAAHM COc1nnc(-c2ccc(C(=O)N3CCN(Cc4cccs4)CC3)cc2)[n-]1 ZINC000534584147 570902182 /nfs/dbraw/zinc/90/21/82/570902182.db2.gz RXLVLXTYPPBCBW-UHFFFAOYSA-N -1 3 383.477 2.500 50 0 GEAAHM COc1nc(-c2ccc(C(=O)N3CCN(Cc4cccs4)CC3)cc2)n[n-]1 ZINC000534584147 570902184 /nfs/dbraw/zinc/90/21/84/570902184.db2.gz RXLVLXTYPPBCBW-UHFFFAOYSA-N -1 3 383.477 2.500 50 0 GEAAHM COc1n[n-]c(-c2ccc(C(=O)N3CCN(Cc4cccs4)CC3)cc2)n1 ZINC000534584147 570902186 /nfs/dbraw/zinc/90/21/86/570902186.db2.gz RXLVLXTYPPBCBW-UHFFFAOYSA-N -1 3 383.477 2.500 50 0 GEAAHM COC(=O)c1ccc(-c2ccc(C(=O)N(C)C[C@H]3COCCO3)cc2)c([O-])c1 ZINC000534592089 570906576 /nfs/dbraw/zinc/90/65/76/570906576.db2.gz WGXGAPZIVNTJDV-KRWDZBQOSA-N -1 3 385.416 2.333 50 0 GEAAHM COc1ccc([C@@H]2[C@@H](S(=O)(=O)[N-]CCc3ccccc3)CON2C)cc1 ZINC000105049773 570913870 /nfs/dbraw/zinc/91/38/70/570913870.db2.gz RGHJVISWGBHVQI-RBUKOAKNSA-N -1 3 376.478 2.144 50 0 GEAAHM CCc1ccccc1NC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000032913599 570918736 /nfs/dbraw/zinc/91/87/36/570918736.db2.gz WWPIWLVLPNXFMC-GOSISDBHSA-N -1 3 395.459 2.314 50 0 GEAAHM O=C(NCc1ccc([O-])c(F)c1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC000170634694 570928986 /nfs/dbraw/zinc/92/89/86/570928986.db2.gz VYWKGNJSYXOOTF-CQSZACIVSA-N -1 3 398.390 2.236 50 0 GEAAHM COc1cc(C=C2SC(=O)[N-]C2=O)cc(I)c1O ZINC000033293931 570961192 /nfs/dbraw/zinc/96/11/92/570961192.db2.gz HKPHVGNWQVVMBC-YWEYNIOJSA-N -1 3 377.159 2.329 50 0 GEAAHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H]3CCc4ccccc43)cc(C3CC3)nc21 ZINC000045243434 570989436 /nfs/dbraw/zinc/98/94/36/570989436.db2.gz GGHHIBQXVWPGMZ-INIZCTEOSA-N -1 3 390.443 2.399 50 0 GEAAHM CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(F)ccc1F)CC(=O)N2 ZINC000046075769 571019807 /nfs/dbraw/zinc/01/98/07/571019807.db2.gz NZAFBYABTVKPHO-MRVPVSSYSA-N -1 3 380.376 2.225 50 0 GEAAHM COc1ncc(Br)cc1CNC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000630024035 652501070 /nfs/dbraw/zinc/50/10/70/652501070.db2.gz SRHDVPDLWUODKC-UHFFFAOYSA-N -1 3 395.257 2.214 50 0 GEAAHM CCOc1ccc(-n2nnnc2C[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000015787060 210170906 /nfs/dbraw/zinc/17/09/06/210170906.db2.gz XOLDZNYCSHSCLD-UHFFFAOYSA-N -1 3 393.856 2.193 50 0 GEAAHM O=S(=O)([N-]Cc1ccc(S(=O)(=O)N2CCCC2)s1)c1cccs1 ZINC000014100908 210103119 /nfs/dbraw/zinc/10/31/19/210103119.db2.gz ZVFOCGMDODTJEM-UHFFFAOYSA-N -1 3 392.549 2.073 50 0 GEAAHM CCS(=O)(=O)[N-]c1ccc(-c2noc(CNC(=O)c3ccco3)n2)cc1 ZINC000013346495 210058384 /nfs/dbraw/zinc/05/83/84/210058384.db2.gz RADIAQCPUJAFMD-UHFFFAOYSA-N -1 3 376.394 2.021 50 0 GEAAHM Cc1noc(C)c1S(=O)(=O)[N-]CCC(=O)Nc1nc2ccc(F)cc2s1 ZINC000012777767 210006409 /nfs/dbraw/zinc/00/64/09/210006409.db2.gz WCRUWSMDCIWYAE-UHFFFAOYSA-N -1 3 398.441 2.347 50 0 GEAAHM Cc1nc(N2CCN(C)CC2)[n-]c(=O)c1Cc1ccc(Br)cc1 ZINC000009135206 531550159 /nfs/dbraw/zinc/55/01/59/531550159.db2.gz SSIPDODIPCHXKG-UHFFFAOYSA-N -1 3 377.286 2.183 50 0 GEAAHM Cc1noc(C)c1C(=O)N1CCC[C@H](C[N-]S(=O)(=O)c2cccs2)C1 ZINC000012596092 531552218 /nfs/dbraw/zinc/55/22/18/531552218.db2.gz CFLMBBUXQIDRQB-CYBMUJFWSA-N -1 3 383.495 2.184 50 0 GEAAHM Cc1nn([C@H](C)C(=O)N2NC=C[C@@]2([O-])C(F)(F)F)c(C)c1Br ZINC000006921052 531533755 /nfs/dbraw/zinc/53/37/55/531533755.db2.gz QRUALIKOWNXSAE-LDYMZIIASA-N -1 3 383.168 2.292 50 0 GEAAHM CN1CCN(c2nc([O-])c(CC(=O)Nc3ccc(F)c(Cl)c3)s2)CC1 ZINC000023994712 531599593 /nfs/dbraw/zinc/59/95/93/531599593.db2.gz BRBRNZROXVWERE-CYBMUJFWSA-N -1 3 384.864 2.053 50 0 GEAAHM CCC[N-]S(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)CC ZINC000040450294 531660874 /nfs/dbraw/zinc/66/08/74/531660874.db2.gz UKZXTSHRLDTYMZ-UHFFFAOYSA-N -1 3 375.288 2.437 50 0 GEAAHM CC1CCC(NC(=O)C[S@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)CC1 ZINC000155322404 531674684 /nfs/dbraw/zinc/67/46/84/531674684.db2.gz VECPLMKHTMLMCQ-VPWWVJTISA-N -1 3 379.404 2.145 50 0 GEAAHM CC(=O)N(C[C@@H]1CCCO1)c1nc(C)c(C(=O)[N-]c2nnc(C)s2)s1 ZINC000044892530 531687619 /nfs/dbraw/zinc/68/76/19/531687619.db2.gz AOENFIBXRYIZPH-NSHDSACASA-N -1 3 381.483 2.396 50 0 GEAAHM O=c1cc(C(F)(F)F)nc(CS(=O)(=O)Cc2noc3c2CCCC3)[n-]1 ZINC000155979226 531709516 /nfs/dbraw/zinc/70/95/16/531709516.db2.gz YPIDBNWDXJHPRN-UHFFFAOYSA-N -1 3 377.344 2.183 50 0 GEAAHM CCOC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1ccc(C)c(F)c1 ZINC000004317643 209478068 /nfs/dbraw/zinc/47/80/68/209478068.db2.gz NAURTRVVDGITOD-UHFFFAOYSA-N -1 3 379.413 2.433 50 0 GEAAHM COC(=O)[C@@]([O-])(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000002768730 209383740 /nfs/dbraw/zinc/38/37/40/209383740.db2.gz SPCHZQGGRWCBCJ-NSHDSACASA-N -1 3 375.221 2.380 50 0 GEAAHM Cc1cc(C)c(NC(=O)CNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c(C)c1 ZINC000010388778 209338753 /nfs/dbraw/zinc/33/87/53/209338753.db2.gz OIEARWGOVFUWTO-UHFFFAOYSA-N -1 3 389.477 2.352 50 0 GEAAHM O=C(COc1ccccc1F)[N-]n1cnc2c(cnn2-c2ccc(F)cc2)c1=O ZINC000010251816 209324248 /nfs/dbraw/zinc/32/42/48/209324248.db2.gz CORVWVIXPQBNJN-UHFFFAOYSA-N -1 3 397.341 2.010 50 0 GEAAHM COc1cc2c(cc1OC)[C@H](c1c([O-])[nH]c(=S)n(C(C)C)c1=O)NCC2 ZINC000001323201 209319338 /nfs/dbraw/zinc/31/93/38/209319338.db2.gz DXCBBGNRAAVLBQ-OAHLLOKOSA-N -1 3 377.466 2.071 50 0 GEAAHM COc1ccc(N2C[C@@H](C[N-]S(=O)(=O)c3ccc(F)cc3F)CC2=O)cc1 ZINC000009035815 209247234 /nfs/dbraw/zinc/24/72/34/209247234.db2.gz FOTKQXVFNWDGDT-GFCCVEGCSA-N -1 3 396.415 2.305 50 0 GEAAHM CCc1nc2sc([C@H](c3cccs3)N3CCC(C(N)=O)CC3)c([O-])n2n1 ZINC000004584815 211548086 /nfs/dbraw/zinc/54/80/86/211548086.db2.gz WJNIQGJFFAIIAX-ZDUSSCGKSA-N -1 3 391.522 2.407 50 0 GEAAHM O=c1[n-]n(C2CCSCC2)c2c1[C@H](c1ccc[nH]c1=O)SCC(=O)N2 ZINC000096117513 211302622 /nfs/dbraw/zinc/30/26/22/211302622.db2.gz FPHLOXKJCAGBRY-ZDUSSCGKSA-N -1 3 378.479 2.120 50 0 GEAAHM COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)c3cc4n[n-]nc4cc3F)C2)c1 ZINC000096013696 211294735 /nfs/dbraw/zinc/29/47/35/211294735.db2.gz VSBDEBKYIUDTKM-GFCCVEGCSA-N -1 3 399.426 2.465 50 0 GEAAHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)NCCCOCc1ccco1 ZINC000095954531 211285135 /nfs/dbraw/zinc/28/51/35/211285135.db2.gz GZLRHILYYVWGNJ-UHFFFAOYSA-N -1 3 376.438 2.326 50 0 GEAAHM CSc1nc([N-]C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)nc(C(F)(F)F)n1 ZINC000095457302 211242936 /nfs/dbraw/zinc/24/29/36/211242936.db2.gz ZIRDVQFHWLILAY-UHFFFAOYSA-N -1 3 397.338 2.090 50 0 GEAAHM CN1CCN([C@H]2CCN(C(=O)CCc3ccsc3)C[C@H]2CCC(=O)[O-])CC1 ZINC000095387157 211234455 /nfs/dbraw/zinc/23/44/55/211234455.db2.gz FYEDTBQYGUVJAJ-MSOLQXFVSA-N -1 3 393.553 2.010 50 0 GEAAHM Cc1nc(CCN2C[C@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)cc(=O)[n-]1 ZINC000091986886 211212949 /nfs/dbraw/zinc/21/29/49/211212949.db2.gz OQKOVOINSUDOBB-NRFANRHFSA-N -1 3 383.448 2.221 50 0 GEAAHM CCCCCCN1CC2(CCN(C(=O)c3c[nH]c(=O)cc3[O-])CC2)OC1=O ZINC000077424594 211132699 /nfs/dbraw/zinc/13/26/99/211132699.db2.gz RTEBJFRIIGIRRJ-UHFFFAOYSA-N -1 3 377.441 2.088 50 0 GEAAHM O=C(c1cccc([O-])c1)N1CCc2cccc(S(=O)(=O)N3CCCC3)c2C1 ZINC000077357375 211131443 /nfs/dbraw/zinc/13/14/43/211131443.db2.gz MKRNRVNPQLZPAM-UHFFFAOYSA-N -1 3 386.473 2.375 50 0 GEAAHM Cc1nn(C)c(C)c1CN(C)C[C@@H](CC(=O)Nc1ccc(Cl)nc1)C(=O)[O-] ZINC000072406471 211114862 /nfs/dbraw/zinc/11/48/62/211114862.db2.gz WFMLBUDBWIUMAO-CYBMUJFWSA-N -1 3 393.875 2.247 50 0 GEAAHM CN(Cc1cccnc1)C(=O)[C@H]1C[C@@H](C(=O)[O-])N(C)[C@H]1c1cccc(F)c1F ZINC000067872915 211026858 /nfs/dbraw/zinc/02/68/58/211026858.db2.gz PBRZRDUGCWQICM-ZVZYQTTQSA-N -1 3 389.402 2.464 50 0 GEAAHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000021651436 210387535 /nfs/dbraw/zinc/38/75/35/210387535.db2.gz PYFNUXPSOVXBRJ-UHFFFAOYSA-N -1 3 399.925 2.029 50 0 GEAAHM Cc1cc(C)c(-n2c(=O)[nH]c([O-])c([C@@H]3NCCc4ccccc43)c2=O)c(C)c1 ZINC000020410550 210332080 /nfs/dbraw/zinc/33/20/80/210332080.db2.gz IOIBVYOJSLAKRI-GOSISDBHSA-N -1 3 377.444 2.392 50 0 GEAAHM Cc1cc(C)c(-n2c([O-])c([C@@H]3NCCc4ccccc43)c(=O)[nH]c2=O)c(C)c1 ZINC000020410550 210332083 /nfs/dbraw/zinc/33/20/83/210332083.db2.gz IOIBVYOJSLAKRI-GOSISDBHSA-N -1 3 377.444 2.392 50 0 GEAAHM COCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1cccc(Cl)c1)C3 ZINC000019821221 210299222 /nfs/dbraw/zinc/29/92/22/210299222.db2.gz AFGANRXULSKMLY-GFCCVEGCSA-N -1 3 399.834 2.297 50 0 GEAAHM Cc1ccc(C(=O)[O-])c(N2CCC3(CCC(=O)N([C@@H]4CCN(C)C4)C3)CC2)n1 ZINC000095365553 136178295 /nfs/dbraw/zinc/17/82/95/136178295.db2.gz KTWZSMVGURTBKF-MRXNPFEDSA-N -1 3 386.496 2.001 50 0 GEAAHM Cc1cc(N2CCC([N-]S(=O)(=O)c3cccc(C)c3F)CC2)nc(C)n1 ZINC000181358380 136201779 /nfs/dbraw/zinc/20/17/79/136201779.db2.gz HLIZQUSBONLQMC-UHFFFAOYSA-N -1 3 378.473 2.488 50 0 GEAAHM COC(=O)c1cn([N-]C(=O)c2cccc(OC)c2OC)c(=O)c2ccccc12 ZINC000003630769 570349183 /nfs/dbraw/zinc/34/91/83/570349183.db2.gz GFBBRCDVLPABDK-UHFFFAOYSA-N -1 3 382.372 2.189 50 0 GEAAHM COc1ccccc1CNC(=O)[C@@H]([N-]S(=O)(=O)c1cccs1)C(C)C ZINC000004879865 570354223 /nfs/dbraw/zinc/35/42/23/570354223.db2.gz YLHIRYVPGDPGBN-INIZCTEOSA-N -1 3 382.507 2.376 50 0 GEAAHM O=S(=O)([N-]Cc1nnc[nH]1)c1c(Cl)cc(Br)cc1Cl ZINC000037921266 570359634 /nfs/dbraw/zinc/35/96/34/570359634.db2.gz AIXQPZQOTVUGEU-UHFFFAOYSA-N -1 3 386.058 2.353 50 0 GEAAHM CC(C)n1nnc2ccc(NC(=O)c3c[n-]c4ccccc4c3=O)cc2c1=O ZINC000604419423 570363145 /nfs/dbraw/zinc/36/31/45/570363145.db2.gz NZDAWNFVCCTNMT-UHFFFAOYSA-N -1 3 375.388 2.466 50 0 GEAAHM CC(C)n1nnc2ccc(NC(=O)c3cnc4ccccc4c3[O-])cc2c1=O ZINC000604419423 570363147 /nfs/dbraw/zinc/36/31/47/570363147.db2.gz NZDAWNFVCCTNMT-UHFFFAOYSA-N -1 3 375.388 2.466 50 0 GEAAHM C[C@H](C(=O)Nc1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)cc1)n1cncn1 ZINC000052641163 570420045 /nfs/dbraw/zinc/42/00/45/570420045.db2.gz VNRXHKKLKFESAA-LLVKDONJSA-N -1 3 395.375 2.164 50 0 GEAAHM Cc1nc(C)c(CCC(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)CCC3)c(=O)[n-]1 ZINC000026004481 570421459 /nfs/dbraw/zinc/42/14/59/570421459.db2.gz YULRBTAAULCSNS-CYBMUJFWSA-N -1 3 383.448 2.378 50 0 GEAAHM Cc1nc(C)c(CCC(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)CCC3)c(=O)[n-]1 ZINC000026004487 570421548 /nfs/dbraw/zinc/42/15/48/570421548.db2.gz YULRBTAAULCSNS-ZDUSSCGKSA-N -1 3 383.448 2.378 50 0 GEAAHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 ZINC000011858205 570440095 /nfs/dbraw/zinc/44/00/95/570440095.db2.gz DGMYBNPUGASUSH-CYBMUJFWSA-N -1 3 394.474 2.108 50 0 GEAAHM Cc1cc(C)n(-c2nc(Nc3ccc(Br)cc3)[n-]c(=NN)n2)n1 ZINC000034925107 570548203 /nfs/dbraw/zinc/54/82/03/570548203.db2.gz GKWIRVSCTLXSLL-UHFFFAOYSA-N -1 3 375.234 2.466 50 0 GEAAHM COc1ccc(-c2csc3[n-]c(CN4CCN(C(C)=O)CC4)nc(=O)c23)cc1 ZINC000036203997 570568232 /nfs/dbraw/zinc/56/82/32/570568232.db2.gz NLBDFVPMZIEJRH-UHFFFAOYSA-N -1 3 398.488 2.324 50 0 GEAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(C)(=O)=O)[C@H](c2ccco2)C1 ZINC000072314580 570661545 /nfs/dbraw/zinc/66/15/45/570661545.db2.gz RTKGNUWBWOGKDZ-HNNXBMFYSA-N -1 3 397.478 2.152 50 0 GEAAHM O=C(c1nnc(-c2csc(S(=O)(=O)[N-]C3CCCC3)c2)o1)N1CCCC1 ZINC000065098766 570695892 /nfs/dbraw/zinc/69/58/92/570695892.db2.gz AQQYUFSGGFSSMJ-UHFFFAOYSA-N -1 3 396.494 2.255 50 0 GEAAHM COc1ccc2c(c1)[n-]cc(C(=O)NCc1ccc(N3CCCC3)nc1)c2=O ZINC000058173800 570716006 /nfs/dbraw/zinc/71/60/06/570716006.db2.gz YJGZCHMWKWHZRL-UHFFFAOYSA-N -1 3 378.432 2.462 50 0 GEAAHM C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)NC[C@H]1CCCO1 ZINC000032668011 570732312 /nfs/dbraw/zinc/73/23/12/570732312.db2.gz RWKXCIKUCFMZRZ-GXTWGEPZSA-N -1 3 399.476 2.297 50 0 GEAAHM COC(=O)C1=C(C)Nc2[nH]c(=O)[n-]c(=O)c2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000000951802 570737057 /nfs/dbraw/zinc/73/70/57/570737057.db2.gz JNVOXVCWKPXQNM-NSHDSACASA-N -1 3 381.310 2.086 50 0 GEAAHM Cc1ccc(C(=O)N2C[C@H](N(C)C)C[C@H]2C(=O)[O-])cc1NC(=O)C(C)(C)C ZINC000065371585 570761608 /nfs/dbraw/zinc/76/16/08/570761608.db2.gz XDIFWCCGURTNBZ-ZBFHGGJFSA-N -1 3 375.469 2.209 50 0 GEAAHM COc1ccc(CN2CCn3nc(C(=O)NC4CC4)cc3C2)c(Cl)c1[O-] ZINC000065382768 570763480 /nfs/dbraw/zinc/76/34/80/570763480.db2.gz URPPJFFRAXPEHO-UHFFFAOYSA-N -1 3 376.844 2.159 50 0 GEAAHM Cc1ccc(NC(=O)[C@H](OC(=O)CC[C@H]2NC(=O)[N-]C2=O)c2ccccc2)cc1 ZINC000007093413 570788193 /nfs/dbraw/zinc/78/81/93/570788193.db2.gz JWRWQZBKNUOENY-SJLPKXTDSA-N -1 3 395.415 2.206 50 0 GEAAHM COc1c(F)c(F)cc(C(=O)NC2CCN(c3nc(C)cc(=O)[n-]3)CC2)c1F ZINC000238905392 570812614 /nfs/dbraw/zinc/81/26/14/570812614.db2.gz RUQPIBXHDWGBRO-UHFFFAOYSA-N -1 3 396.369 2.315 50 0 GEAAHM COc1ccc(F)cc1S(=O)(=O)[N-][C@H]1CC[C@H](Oc2ncccn2)CC1 ZINC000239611698 570834847 /nfs/dbraw/zinc/83/48/47/570834847.db2.gz FAYSOYGEZOGNSK-HDJSIYSDSA-N -1 3 381.429 2.293 50 0 GEAAHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)cc1C ZINC000032831074 570844738 /nfs/dbraw/zinc/84/47/38/570844738.db2.gz SPDDEEWHAWBAMO-UHFFFAOYSA-N -1 3 379.438 2.312 50 0 GEAAHM CCCO[C@H]1CCCN(C(=O)c2cccc(-c3cnn(-c4nn[n-]n4)c3)c2)C1 ZINC000534643484 570909252 /nfs/dbraw/zinc/90/92/52/570909252.db2.gz BADGMYBLAOQEAI-KRWDZBQOSA-N -1 3 381.440 2.084 50 0 GEAAHM CCn1c(=O)[n-]c(=O)c2cc(C(=O)Nc3ccc(C)c4ncccc34)cnc21 ZINC000032908746 570909765 /nfs/dbraw/zinc/90/97/65/570909765.db2.gz BKLDTDVFNXQROS-UHFFFAOYSA-N -1 3 375.388 2.214 50 0 GEAAHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc(-c3nccnc3N(C)C)cc1)C2 ZINC000534632453 570910402 /nfs/dbraw/zinc/91/04/02/570910402.db2.gz BVXVLOOSWRJQPU-UHFFFAOYSA-N -1 3 376.420 2.170 50 0 GEAAHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CCCC[C@@H]1CCn1cccn1 ZINC000534647364 570917302 /nfs/dbraw/zinc/91/73/02/570917302.db2.gz VBMHCCQUOHKIOX-QGZVFWFLSA-N -1 3 380.456 2.218 50 0 GEAAHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CCCC[C@@H]1CCn1cccn1 ZINC000534647364 570917305 /nfs/dbraw/zinc/91/73/05/570917305.db2.gz VBMHCCQUOHKIOX-QGZVFWFLSA-N -1 3 380.456 2.218 50 0 GEAAHM COCCCN1CCc2nc(SCC(=O)Nc3ccccc3)[n-]c(=O)c2C1 ZINC000033331758 570987527 /nfs/dbraw/zinc/98/75/27/570987527.db2.gz CTHZBCUNGXUMHW-UHFFFAOYSA-N -1 3 388.493 2.308 50 0 GEAAHM O=C(Cn1[n-]c(=O)c2ccccc2c1=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000170651830 570989340 /nfs/dbraw/zinc/98/93/40/570989340.db2.gz PPLFCMXIEIXJLC-UHFFFAOYSA-N -1 3 383.379 2.399 50 0 GEAAHM CS(=O)(=O)[N-]c1ccc(C(=O)OCC(=O)Nc2cccc3ncccc32)cc1 ZINC000023232646 570990203 /nfs/dbraw/zinc/99/02/03/570990203.db2.gz RFOXIOKYGOFWAR-UHFFFAOYSA-N -1 3 399.428 2.402 50 0 GEAAHM O=C(c1ccc2[nH]cnc2c1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000025904943 570994396 /nfs/dbraw/zinc/99/43/96/570994396.db2.gz JQYBSQDKCOBUBK-UHFFFAOYSA-N -1 3 390.490 2.208 50 0 GEAAHM O=S(=O)([N-]CCCOC[C@@H]1CCCO1)c1ccc(F)cc1Br ZINC000045816786 570997178 /nfs/dbraw/zinc/99/71/78/570997178.db2.gz HNWCFCJLSVWRAA-LBPRGKRZSA-N -1 3 396.278 2.452 50 0 GEAAHM CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(F)cc1F)CC(=O)N2 ZINC000046073976 571018972 /nfs/dbraw/zinc/01/89/72/571018972.db2.gz WTKOEOFJGRITEE-MRVPVSSYSA-N -1 3 380.376 2.225 50 0 GEAAHM O=C(COc1cccc(F)c1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011450715 571046452 /nfs/dbraw/zinc/04/64/52/571046452.db2.gz ASADYILSXJRVNV-UHFFFAOYSA-N -1 3 398.481 2.236 50 0 GEAAHM Cc1cc(C)n(C2CN(C(=O)c3cccc(-c4c(C)[nH]c(=O)[n-]c4=O)c3)C2)n1 ZINC000426552038 231241295 /nfs/dbraw/zinc/24/12/95/231241295.db2.gz PXVDONIHVYVZHK-UHFFFAOYSA-N -1 3 379.420 2.374 50 0 GEAAHM Cc1nc(C)c(CCC(=O)N2CCCN(C)c3nc4ccccc4nc32)c(=O)[n-]1 ZINC000016470598 210190211 /nfs/dbraw/zinc/19/02/11/210190211.db2.gz YQCYKNBJZCVXNV-UHFFFAOYSA-N -1 3 392.463 2.136 50 0 GEAAHM O=C(NCc1cccnc1)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000015082916 210152637 /nfs/dbraw/zinc/15/26/37/210152637.db2.gz SHMYIJOJFDLBMR-UHFFFAOYSA-N -1 3 377.447 2.145 50 0 GEAAHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)ccc1OC ZINC000013678794 210077191 /nfs/dbraw/zinc/07/71/91/210077191.db2.gz FPBCLHISZNADTG-UHFFFAOYSA-N -1 3 391.449 2.204 50 0 GEAAHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1nc(-c2ccc(OC)cc2)no1 ZINC000012815469 210014843 /nfs/dbraw/zinc/01/48/43/210014843.db2.gz IQFFJIQVZBQQGD-UHFFFAOYSA-N -1 3 388.405 2.216 50 0 GEAAHM Cc1ccc(NC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)c(Cl)c1 ZINC000012773686 210007469 /nfs/dbraw/zinc/00/74/69/210007469.db2.gz CKOVUGZUXCLCET-UHFFFAOYSA-N -1 3 390.871 2.448 50 0 GEAAHM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1ccc(Cl)cc1F ZINC000012794812 210010542 /nfs/dbraw/zinc/01/05/42/210010542.db2.gz UNRDJHBIHUPPBE-UHFFFAOYSA-N -1 3 394.834 2.279 50 0 GEAAHM CCOc1ccc(OCC)c(NC(=O)C[N-]S(=O)(=O)c2cccs2)c1 ZINC000004034380 531510624 /nfs/dbraw/zinc/51/06/24/531510624.db2.gz YWLIBMMKMDWOEI-UHFFFAOYSA-N -1 3 384.479 2.463 50 0 GEAAHM Cn1cc(Br)c(C(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)n1 ZINC000000998585 531499516 /nfs/dbraw/zinc/49/95/16/531499516.db2.gz DZHGRMGZNAUJHL-JVXZTZIISA-N -1 3 395.179 2.436 50 0 GEAAHM O=C(CCc1ccco1)N1CCC[C@H](C[N-]S(=O)(=O)c2cccs2)C1 ZINC000012576554 531553520 /nfs/dbraw/zinc/55/35/20/531553520.db2.gz ODIBYYRIXHHGRD-CQSZACIVSA-N -1 3 382.507 2.491 50 0 GEAAHM CCn1c(SCC(=O)[N-]C2=NCCS2)nnc1-c1ccc(OC)cc1 ZINC000009263859 531550561 /nfs/dbraw/zinc/55/05/61/531550561.db2.gz XJEJJQAWFIZEKW-UHFFFAOYSA-N -1 3 377.495 2.285 50 0 GEAAHM C[N-]S(=O)(=O)c1cc(C(=O)OCc2nnsc2Cl)ccc1Cl ZINC000023277740 531596012 /nfs/dbraw/zinc/59/60/12/531596012.db2.gz WEQUIEUKTVMVNV-UHFFFAOYSA-N -1 3 382.250 2.110 50 0 GEAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NCCSCc1ccccc1 ZINC000007140898 209721417 /nfs/dbraw/zinc/72/14/17/209721417.db2.gz AOMAMPDOUIITEP-UHFFFAOYSA-N -1 3 383.473 2.130 50 0 GEAAHM CS(=O)(=O)[N-]c1ccc(C(=O)CSc2nnc3n2CCCCC3)cc1 ZINC000006647630 209662601 /nfs/dbraw/zinc/66/26/01/209662601.db2.gz RNIDCFXMPVXHOX-UHFFFAOYSA-N -1 3 380.495 2.351 50 0 GEAAHM COCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000002869520 209392995 /nfs/dbraw/zinc/39/29/95/209392995.db2.gz VHZHYGNUMNBYDE-UHFFFAOYSA-N -1 3 378.450 2.019 50 0 GEAAHM O=c1ccc(-c2ccccc2)nn1CC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000009660994 209278935 /nfs/dbraw/zinc/27/89/35/209278935.db2.gz BMYFXQUJOQNMAK-UHFFFAOYSA-N -1 3 391.399 2.167 50 0 GEAAHM CCOC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1 ZINC000000798715 209266065 /nfs/dbraw/zinc/26/60/65/209266065.db2.gz AWMHSYYJXATWQN-UHFFFAOYSA-N -1 3 393.417 2.201 50 0 GEAAHM O=C([O-])c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O ZINC000000538330 209249902 /nfs/dbraw/zinc/24/99/02/209249902.db2.gz XBHBWNFJWIASRO-UHFFFAOYSA-N -1 3 385.370 2.377 50 0 endogenous,in-man GEAAHM COCCn1ccc2c1cccc2OCC(=O)Nc1n[n-]c([C@H]2CCCO2)n1 ZINC000263588574 209225383 /nfs/dbraw/zinc/22/53/83/209225383.db2.gz VWGWBDJWOMTRDR-MRXNPFEDSA-N -1 3 385.424 2.275 50 0 GEAAHM Cc1cc(=NC(=O)CCc2c[nH]c3ccccc23)n([C@@H]2CCS(=O)(=O)C2)[n-]1 ZINC000334159391 209194673 /nfs/dbraw/zinc/19/46/73/209194673.db2.gz WCMGPWTWZXLRMF-OAHLLOKOSA-N -1 3 386.477 2.026 50 0 GEAAHM COc1nc2ccccc2nc1CCC(=O)N[C@H]1C[C@H](c2cc(=O)[n-]cn2)C1 ZINC000253534781 211992255 /nfs/dbraw/zinc/99/22/55/211992255.db2.gz CINVLAGTLINDSO-JOCQHMNTSA-N -1 3 379.420 2.129 50 0 GEAAHM CN(C)c1ccc(NC(=O)N2CCc3c(nc[n-]c3=O)C2)c(C(F)(F)F)c1 ZINC000097109215 211358714 /nfs/dbraw/zinc/35/87/14/211358714.db2.gz HOBWVVGHVGOMCX-UHFFFAOYSA-N -1 3 381.358 2.445 50 0 GEAAHM COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3ccc(Cl)s3)C2=O)cc1 ZINC000096396203 211340165 /nfs/dbraw/zinc/34/01/65/211340165.db2.gz HRRWECYUNXEKEN-GFCCVEGCSA-N -1 3 386.882 2.494 50 0 GEAAHM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(Cc1ccc(CCC(C)(C)O)cc1)CC2 ZINC000095384173 211235684 /nfs/dbraw/zinc/23/56/84/211235684.db2.gz IDATVMYHGFQJHC-GOSISDBHSA-N -1 3 388.508 2.288 50 0 GEAAHM C[C@H](C(=O)[O-])N1CC2(CCC1=O)CCN(CCOc1ccc(F)cc1)CC2 ZINC000091950916 211212072 /nfs/dbraw/zinc/21/20/72/211212072.db2.gz PZVZEKNDDAGVTO-OAHLLOKOSA-N -1 3 378.444 2.382 50 0 GEAAHM Cc1nc(CCN2C[C@@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)cc(=O)[n-]1 ZINC000091986884 211211814 /nfs/dbraw/zinc/21/18/14/211211814.db2.gz OQKOVOINSUDOBB-OAQYLSRUSA-N -1 3 383.448 2.221 50 0 GEAAHM Cc1cc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)ccc1F ZINC000091943139 211209979 /nfs/dbraw/zinc/20/99/79/211209979.db2.gz SICZBFUDRODOQE-MJGOQNOKSA-N -1 3 391.487 2.077 50 0 GEAAHM CCc1cc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)cs1 ZINC000092078988 211215633 /nfs/dbraw/zinc/21/56/33/211215633.db2.gz PYTUWAFAIXFLCU-QAPCUYQASA-N -1 3 393.553 2.253 50 0 GEAAHM Cc1nccn1CC1(CNC(=O)c2cnc(-c3ccc(C)cc3)[n-]c2=O)CC1 ZINC000091620155 211198575 /nfs/dbraw/zinc/19/85/75/211198575.db2.gz RFVHFFHNXQFTRY-UHFFFAOYSA-N -1 3 377.448 2.460 50 0 GEAAHM C[C@]1(c2cccc(C(=O)OCC(=O)c3cccc(Cl)c3)c2)NC(=O)[N-]C1=O ZINC000089917310 211185954 /nfs/dbraw/zinc/18/59/54/211185954.db2.gz TUKNPAIYRICFTJ-LJQANCHMSA-N -1 3 386.791 2.434 50 0 GEAAHM O=C(NCCNC(=O)C1(c2cccc(F)c2)CCOCC1)c1ccc([O-])cc1 ZINC000089774877 211183611 /nfs/dbraw/zinc/18/36/11/211183611.db2.gz FKCCWYLRRSMLNF-UHFFFAOYSA-N -1 3 386.423 2.126 50 0 GEAAHM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000072472868 211122416 /nfs/dbraw/zinc/12/24/16/211122416.db2.gz ZYTSDTVWHUPEAO-UHFFFAOYSA-N -1 3 380.492 2.428 50 0 GEAAHM C[C@@H](NC(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1)c1nnn[n-]1 ZINC000072161668 211078330 /nfs/dbraw/zinc/07/83/30/211078330.db2.gz RECKTRZWMHQGFL-MRXNPFEDSA-N -1 3 390.491 2.089 50 0 GEAAHM C[C@@H](NC(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1)c1nn[n-]n1 ZINC000072161668 211078333 /nfs/dbraw/zinc/07/83/33/211078333.db2.gz RECKTRZWMHQGFL-MRXNPFEDSA-N -1 3 390.491 2.089 50 0 GEAAHM Cc1c(F)cccc1CN1C[C@@H](C(=O)[O-])C[C@H](C(=O)NCc2ccncc2)C1 ZINC000071754746 211057608 /nfs/dbraw/zinc/05/76/08/211057608.db2.gz GXYPQHULVXBFDU-ROUUACIJSA-N -1 3 385.439 2.368 50 0 GEAAHM CSc1ncc(-c2nccn2CCn2[n-]c(=O)c3ccccc3c2=O)cn1 ZINC000071759345 211058993 /nfs/dbraw/zinc/05/89/93/211058993.db2.gz XTFBMCIEBUTTRQ-UHFFFAOYSA-N -1 3 380.433 2.178 50 0 GEAAHM O=C([O-])[C@H]1C[C@H](C(=O)NCc2ccccn2)CN(C/C=C/c2ccccc2)C1 ZINC000071760268 211058597 /nfs/dbraw/zinc/05/85/97/211058597.db2.gz QKBWCPONBIMSGE-BDJRERGKSA-N -1 3 379.460 2.434 50 0 GEAAHM CCN1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000068191637 211032733 /nfs/dbraw/zinc/03/27/33/211032733.db2.gz JBXPHNYNOXDOGY-UHFFFAOYSA-N -1 3 391.468 2.404 50 0 GEAAHM Cc1ccccc1-n1cc(CN2CCC[C@@H](Cn3cc(C(=O)[O-])nn3)C2)cn1 ZINC000067817146 211023240 /nfs/dbraw/zinc/02/32/40/211023240.db2.gz PUNYGADLUCGPMK-MRXNPFEDSA-N -1 3 380.452 2.383 50 0 GEAAHM Cc1ncc(CC(=O)N2CCC[C@H](c3n[nH]cc3-c3ccccc3)C2)c(=O)[n-]1 ZINC000067804856 211023215 /nfs/dbraw/zinc/02/32/15/211023215.db2.gz BFJFKVWYUOOAKE-INIZCTEOSA-N -1 3 377.448 2.417 50 0 GEAAHM Cc1ncc(CC(=O)N2CCC[C@H](c3[nH]ncc3-c3ccccc3)C2)c(=O)[n-]1 ZINC000067804856 211023217 /nfs/dbraw/zinc/02/32/17/211023217.db2.gz BFJFKVWYUOOAKE-INIZCTEOSA-N -1 3 377.448 2.417 50 0 GEAAHM CCCn1nc(C(=O)[O-])c2c1CC[C@H](N1CCC(O)(c3ccccn3)CC1)C2 ZINC000067691709 211018047 /nfs/dbraw/zinc/01/80/47/211018047.db2.gz NJMCVYNZBFNYHA-HNNXBMFYSA-N -1 3 384.480 2.227 50 0 GEAAHM O=C(c1ccc(CN/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1)N1CCCC1 ZINC000025199404 210479494 /nfs/dbraw/zinc/47/94/94/210479494.db2.gz WCFMOTZISDPWIC-XMHGGMMESA-N -1 3 375.428 2.323 50 0 GEAAHM COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCCN(c4ncccn4)CC3)c2c1 ZINC000020733038 210359893 /nfs/dbraw/zinc/35/98/93/210359893.db2.gz JSGPILXFCOFNMX-SFHVURJKSA-N -1 3 381.436 2.305 50 0 GEAAHM COc1cc(Cl)c(S(=O)(=O)[N-]CCCN2CCOCC2)cc1Cl ZINC000019619347 210275348 /nfs/dbraw/zinc/27/53/48/210275348.db2.gz WJCQAPKONOFLCJ-UHFFFAOYSA-N -1 3 383.297 2.003 50 0 GEAAHM COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC[C@H]2CCCO2)cc(Cl)c1[O-] ZINC000000706396 533132169 /nfs/dbraw/zinc/13/21/69/533132169.db2.gz CWIRGHMRUNPYIC-IAQYHMDHSA-N -1 3 396.827 2.404 50 0 GEAAHM O=C(c1ncccc1[O-])N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000072159157 136167176 /nfs/dbraw/zinc/16/71/76/136167176.db2.gz ODDBTPHOJWKXRO-GOSISDBHSA-N -1 3 384.455 2.353 50 0 GEAAHM O=C([O-])Cn1nccc1[C@H]1CCCN(Cc2cnc(N3CCCC3)s2)C1 ZINC000426545023 534511143 /nfs/dbraw/zinc/51/11/43/534511143.db2.gz KBXWSBBQLXWAKT-AWEZNQCLSA-N -1 3 375.498 2.404 50 0 GEAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c(C)c1-n1cnnn1 ZINC000001427095 570262815 /nfs/dbraw/zinc/26/28/15/570262815.db2.gz FRJDJUUYWRDSEL-UHFFFAOYSA-N -1 3 387.421 2.117 50 0 GEAAHM COCCN1CCN(Cc2ccc(-c3nc(C(F)F)cc(=O)[n-]3)cc2)CC1 ZINC000023542977 570365246 /nfs/dbraw/zinc/36/52/46/570365246.db2.gz BVZOJTDZQNGGAN-UHFFFAOYSA-N -1 3 378.423 2.139 50 0 GEAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccnc(N2CCCC2=O)c1 ZINC000575619559 570368071 /nfs/dbraw/zinc/36/80/71/570368071.db2.gz NBVFJMWRAFZYLK-UHFFFAOYSA-N -1 3 395.868 2.349 50 0 GEAAHM COc1ccc([C@@H](CNC(=O)c2nc3ccccc3c(=O)[n-]2)N2CCCC2)cc1 ZINC000024761679 570392384 /nfs/dbraw/zinc/39/23/84/570392384.db2.gz SUIQLVYMFPYBNL-LJQANCHMSA-N -1 3 392.459 2.499 50 0 GEAAHM COc1ccc([N-]S(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 ZINC000005135934 570424360 /nfs/dbraw/zinc/42/43/60/570424360.db2.gz GETFSDMBBAYKIF-UHFFFAOYSA-N -1 3 396.490 2.426 50 0 GEAAHM CC[C@H](CNC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C)c1ccccc1 ZINC000029476938 570474287 /nfs/dbraw/zinc/47/42/87/570474287.db2.gz QTLZJBDHSAXIKH-DZGCQCFKSA-N -1 3 379.482 2.268 50 0 GEAAHM Cc1cc([C@@H](C)NC(=O)CCc2c(C)c3c(=O)[n-]n(C)c3[nH]c2=O)c(C)s1 ZINC000030640807 570492917 /nfs/dbraw/zinc/49/29/17/570492917.db2.gz WZSDIKUDHNFCBC-LLVKDONJSA-N -1 3 388.493 2.352 50 0 GEAAHM CC(=O)N1CCN(Cc2nc(=O)c3c(-c4ccccc4F)csc3[n-]2)CC1 ZINC000036203957 570568260 /nfs/dbraw/zinc/56/82/60/570568260.db2.gz PGCVAXCPOYXTGU-UHFFFAOYSA-N -1 3 386.452 2.455 50 0 GEAAHM Cc1nn2c(nnc3c2ccn([N-]C(=O)c2cccnc2)c3=O)c1-c1ccccc1 ZINC000040391070 570599880 /nfs/dbraw/zinc/59/98/80/570599880.db2.gz AKXINOOUIRQFCE-UHFFFAOYSA-N -1 3 397.398 2.194 50 0 GEAAHM O=C(Nc1ccccc1)c1nnc(C[N-]S(=O)(=O)Cc2ccccc2)s1 ZINC000064991681 570637947 /nfs/dbraw/zinc/63/79/47/570637947.db2.gz XQIQINZBCRERIY-UHFFFAOYSA-N -1 3 388.474 2.410 50 0 GEAAHM Cc1ccc(C(=O)N[C@@H]2C[C@H](c3cc(=O)[n-]c(C)n3)C2)cc1N1CCNC1=O ZINC000253535275 570733672 /nfs/dbraw/zinc/73/36/72/570733672.db2.gz JUSGEENNNXFNBD-GASCZTMLSA-N -1 3 381.436 2.005 50 0 GEAAHM Cc1n[nH]c(CCC(=O)N[C@H]2C[C@@H](c3cc(=O)[n-]c(N4CCCC4)n3)C2)c1C ZINC000253535051 570733684 /nfs/dbraw/zinc/73/36/84/570733684.db2.gz BGIVMOUDOAJNGA-GASCZTMLSA-N -1 3 384.484 2.117 50 0 GEAAHM COCCn1c(=O)[n-]c(=O)c2c(C(F)(F)F)cc(-c3cccc(OC)c3)nc21 ZINC000007062577 570781896 /nfs/dbraw/zinc/78/18/96/570781896.db2.gz GKYOFQCZJSVBBH-UHFFFAOYSA-N -1 3 395.337 2.426 50 0 GEAAHM O=C(CCc1nnc(-c2cccc(Cl)c2)[n-]c1=O)NCCN1CCCCC1 ZINC000034767914 570797139 /nfs/dbraw/zinc/79/71/39/570797139.db2.gz VWBOAMMEUXTHQN-UHFFFAOYSA-N -1 3 389.887 2.432 50 0 GEAAHM CCCn1c(=O)[n-]nc1SC[C@@H]1CSc2nnc(-c3ccncc3)n21 ZINC000032777120 570799530 /nfs/dbraw/zinc/79/95/30/570799530.db2.gz WDXAWBRKQARASG-LLVKDONJSA-N -1 3 375.483 2.486 50 0 GEAAHM O=S(=O)([N-]CCn1nc(-c2cnccn2)cc1C1CC1)c1cccs1 ZINC000238955624 570815895 /nfs/dbraw/zinc/81/58/95/570815895.db2.gz XXNLHPNFFJMWNO-UHFFFAOYSA-N -1 3 375.479 2.258 50 0 GEAAHM Cc1c([O-])nc(CCNC(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)[nH]c1=O ZINC000101825106 570835854 /nfs/dbraw/zinc/83/58/54/570835854.db2.gz ANWVEAUKBSWQJH-OLZOCXBDSA-N -1 3 381.354 2.006 50 0 GEAAHM Cc1cc(C(=O)[N-]c2nnc(Cc3ccccc3)s2)c2c(=O)[nH]n(C)c2n1 ZINC000032815142 570836017 /nfs/dbraw/zinc/83/60/17/570836017.db2.gz JENMGKGQAWHPBM-UHFFFAOYSA-N -1 3 380.433 2.265 50 0 GEAAHM Cc1ccccc1OCCN(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000032821133 570841895 /nfs/dbraw/zinc/84/18/95/570841895.db2.gz YEPKGFIHTQDIRP-OAHLLOKOSA-N -1 3 394.468 2.338 50 0 GEAAHM C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)COc2ccc(F)cc2Cl)C1=O ZINC000009995970 570890879 /nfs/dbraw/zinc/89/08/79/570890879.db2.gz YMXVYGFLJVXOGL-GOSISDBHSA-N -1 3 391.786 2.356 50 0 GEAAHM CCn1c(=O)[n-]c(=O)c2c(C(=O)Nc3cccc(OC)c3)cc(C3CC3)nc21 ZINC000032032395 570934926 /nfs/dbraw/zinc/93/49/26/570934926.db2.gz CQNFDQVAMYHLJA-UHFFFAOYSA-N -1 3 380.404 2.243 50 0 GEAAHM O=C(NCCN1CCc2sccc2C1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000097152493 570964816 /nfs/dbraw/zinc/96/48/16/570964816.db2.gz POGUMRLUMCSOSI-KRWDZBQOSA-N -1 3 399.516 2.233 50 0 GEAAHM CCc1ccc2c(c1)[C@]1(SC([N-]C(C)=O)=NN1C(C)=O)C(=O)N2CC(C)C ZINC000004785109 570989044 /nfs/dbraw/zinc/98/90/44/570989044.db2.gz HBEOABGDXLQVQS-IBGZPJMESA-N -1 3 388.493 2.407 50 0 GEAAHM O=C(Nc1ccccc1[O-])C1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000012783013 571036324 /nfs/dbraw/zinc/03/63/24/571036324.db2.gz KOUOFMVZWLZYPE-UHFFFAOYSA-N -1 3 384.461 2.312 50 0 GEAAHM O=S(=O)([N-]C[C@@H](O)Cc1ccccc1)c1ccc(Br)s1 ZINC000070639359 643051024 /nfs/dbraw/zinc/05/10/24/643051024.db2.gz QSLSNUDNGIFAQK-NSHDSACASA-N -1 3 376.297 2.393 50 0 GEAAHM Cc1noc(-c2ccc(C(=O)[N-]N3C(=O)N[C@@](C)(c4ccccc4)C3=O)cc2)n1 ZINC000013001988 210046273 /nfs/dbraw/zinc/04/62/73/210046273.db2.gz AZYYBZWTIXQDQC-FQEVSTJZSA-N -1 3 391.387 2.157 50 0 GEAAHM Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000006938684 531534994 /nfs/dbraw/zinc/53/49/94/531534994.db2.gz UVWYAVSRPYLLQS-UHFFFAOYSA-N -1 3 383.788 2.118 50 0 GEAAHM CCOC(=O)c1c(C)oc2nc(CSc3nnc4ccccn43)[n-]c(=O)c21 ZINC000009465825 209830389 /nfs/dbraw/zinc/83/03/89/209830389.db2.gz UGEMBJIJFHPBJK-UHFFFAOYSA-N -1 3 385.405 2.336 50 0 GEAAHM Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000024886744 531608574 /nfs/dbraw/zinc/60/85/74/531608574.db2.gz HQWDUBIBWRVEBU-UHFFFAOYSA-N -1 3 382.463 2.022 50 0 GEAAHM O=C(C[N-]S(=O)(=O)Cc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 ZINC000041427898 531664631 /nfs/dbraw/zinc/66/46/31/531664631.db2.gz LUOLNFDQCRMGON-UHFFFAOYSA-N -1 3 382.825 2.127 50 0 GEAAHM C[C@H](C(=O)NC1CCCCC1)[S@@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000155324862 531675968 /nfs/dbraw/zinc/67/59/68/531675968.db2.gz AATFRFZETLLOPL-UVJXUPGXSA-N -1 3 379.404 2.287 50 0 GEAAHM CCOC(=O)C[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1 ZINC000004350594 209482079 /nfs/dbraw/zinc/48/20/79/209482079.db2.gz VJMANBNEUBCBBM-UHFFFAOYSA-N -1 3 397.400 2.009 50 0 GEAAHM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(C)CC3)ccc2C)cc1 ZINC000002879930 209393449 /nfs/dbraw/zinc/39/34/49/209393449.db2.gz JWPYVERKKBXXDY-UHFFFAOYSA-N -1 3 387.505 2.492 50 0 GEAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCCC(=O)NCc1cccnc1 ZINC000010383275 209338738 /nfs/dbraw/zinc/33/87/38/209338738.db2.gz DHIGJWUAVCYDKP-UHFFFAOYSA-N -1 3 397.884 2.119 50 0 GEAAHM CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000001116021 209302508 /nfs/dbraw/zinc/30/25/08/209302508.db2.gz OPKHCZFKJKYICX-GFCCVEGCSA-N -1 3 385.214 2.354 50 0 GEAAHM O=c1ccc(-c2ccc(F)cc2)nn1CC[N-]S(=O)(=O)c1ccccc1F ZINC000009661044 209279492 /nfs/dbraw/zinc/27/94/92/209279492.db2.gz PRZQDUMYXFTCAZ-UHFFFAOYSA-N -1 3 391.399 2.167 50 0 GEAAHM CCOC(=O)C1CCN(C(=O)C(=C([O-])c2ccccc2)n2ccccc2=O)CC1 ZINC000000819373 209268917 /nfs/dbraw/zinc/26/89/17/209268917.db2.gz ZIKUKDJOOBELMY-IBGZPJMESA-N -1 3 396.443 2.074 50 0 GEAAHM CC(C)n1cnc(S(=O)(=O)[N-]C[C@](O)(c2ccoc2)c2cccs2)c1 ZINC000244986118 209215867 /nfs/dbraw/zinc/21/58/67/209215867.db2.gz JGVISKFBYPSPPG-INIZCTEOSA-N -1 3 381.479 2.333 50 0 GEAAHM Cc1cnn(Cc2cccc(C)c2)c1NC(=O)NCCc1cc(=O)[n-]c(C)n1 ZINC000097775575 211371948 /nfs/dbraw/zinc/37/19/48/211371948.db2.gz GWWCEVXPWKUUHP-UHFFFAOYSA-N -1 3 380.452 2.304 50 0 GEAAHM CC(C)[C@@H]([N-]S(=O)(=O)/C=C\c1ccccc1)C(=O)OCC(=O)NC(C)(C)C ZINC000096504056 211343920 /nfs/dbraw/zinc/34/39/20/211343920.db2.gz HDUXNAWCARIPLY-WFTPILKQSA-N -1 3 396.509 2.059 50 0 GEAAHM COc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCOCC2)cc1O ZINC000096117588 211302995 /nfs/dbraw/zinc/30/29/95/211302995.db2.gz WQIPISQUEROTNN-MRXNPFEDSA-N -1 3 391.449 2.429 50 0 GEAAHM CCOC([O-])=NC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O ZINC000095929296 211284300 /nfs/dbraw/zinc/28/43/00/211284300.db2.gz NKUUPFQYKSPPAY-KRWDZBQOSA-N -1 3 380.404 2.282 50 0 GEAAHM CCOC(=O)N=C([O-])N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O ZINC000095929296 211284302 /nfs/dbraw/zinc/28/43/02/211284302.db2.gz NKUUPFQYKSPPAY-KRWDZBQOSA-N -1 3 380.404 2.282 50 0 GEAAHM CCOC(=O)[N-]C(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O ZINC000095929296 211284307 /nfs/dbraw/zinc/28/43/07/211284307.db2.gz NKUUPFQYKSPPAY-KRWDZBQOSA-N -1 3 380.404 2.282 50 0 GEAAHM CC(C)c1nc(CN2CCC[C@@H](C[N-]S(=O)(=O)c3cccs3)C2)no1 ZINC000095510847 211261746 /nfs/dbraw/zinc/26/17/46/211261746.db2.gz ADDRMDSASGXPRQ-ZDUSSCGKSA-N -1 3 384.527 2.445 50 0 GEAAHM Cc1ncc(C(=O)N(C)C[C@H]2CCCN(CCc3ccccc3F)C2)c(=O)[n-]1 ZINC000095511968 211261580 /nfs/dbraw/zinc/26/15/80/211261580.db2.gz SSQZSQGYIRAFLO-MRXNPFEDSA-N -1 3 386.471 2.244 50 0 GEAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)CS[C@H]2c1cccc(OCC(N)=O)c1 ZINC000095479047 211248938 /nfs/dbraw/zinc/24/89/38/211248938.db2.gz UORURGQQBZHSPQ-HNNXBMFYSA-N -1 3 376.438 2.046 50 0 GEAAHM CC(C)CCn1cc([C@@H](C(=O)[O-])N2CCC(CN3CCOCC3)CC2)cn1 ZINC000095388008 211234426 /nfs/dbraw/zinc/23/44/26/211234426.db2.gz CGCASDWWUSMURW-IBGZPJMESA-N -1 3 378.517 2.099 50 0 GEAAHM CN1CCN([C@H]2CCN(C(=O)Nc3ccccc3F)C[C@H]2CCC(=O)[O-])CC1 ZINC000091872986 211210563 /nfs/dbraw/zinc/21/05/63/211210563.db2.gz RXJNMVYESGWDFX-QAPCUYQASA-N -1 3 392.475 2.160 50 0 GEAAHM O=C(NCC[N-]S(=O)(=O)c1cccs1)c1cc(F)c(F)cc1Cl ZINC000089800036 211183690 /nfs/dbraw/zinc/18/36/90/211183690.db2.gz ZRBQJWMVHHJWQL-UHFFFAOYSA-N -1 3 380.825 2.388 50 0 GEAAHM O=C([O-])CC[C@@H]1CN(CCOc2ccc(F)cc2)CC[C@@H]1N1CCOCC1 ZINC000091519421 211194218 /nfs/dbraw/zinc/19/42/18/211194218.db2.gz LQMXFGYKVLBNCU-APWZRJJASA-N -1 3 380.460 2.092 50 0 GEAAHM COc1ccc(CN2CCN(C(=O)c3cccc([O-])c3)C[C@@H]2CCO)c(F)c1 ZINC000072474350 211123175 /nfs/dbraw/zinc/12/31/75/211123175.db2.gz XPLVWKPJPSURJF-KRWDZBQOSA-N -1 3 388.439 2.249 50 0 GEAAHM Cc1nc(NCC[N-]S(=O)(=O)c2ccccc2F)cc(-n2cccc2)n1 ZINC000090607848 211036676 /nfs/dbraw/zinc/03/66/76/211036676.db2.gz GRRZUIFIIFAULD-UHFFFAOYSA-N -1 3 375.429 2.105 50 0 GEAAHM O=C([O-])c1c2c(sc1S(=O)(=O)NCCCCc1ccccc1)CNCC2 ZINC000067983331 211032791 /nfs/dbraw/zinc/03/27/91/211032791.db2.gz PUCVRNIUJHVPMU-UHFFFAOYSA-N -1 3 394.518 2.393 50 0 GEAAHM Cc1ccccc1-n1cc(CN2CCC[C@H](Cn3cc(C(=O)[O-])nn3)C2)cn1 ZINC000067817145 211023315 /nfs/dbraw/zinc/02/33/15/211023315.db2.gz PUNYGADLUCGPMK-INIZCTEOSA-N -1 3 380.452 2.383 50 0 GEAAHM C[C@H](Cc1cccs1)NS(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2 ZINC000067804672 211022974 /nfs/dbraw/zinc/02/29/74/211022974.db2.gz MQCVPDHAEHJMDU-SECBINFHSA-N -1 3 386.520 2.063 50 0 GEAAHM COc1cccc([C@@H]2CNC(=O)c3[n-]c(-c4ccc(C(=O)N(C)C)o4)nc3C2)c1 ZINC000067723399 211019231 /nfs/dbraw/zinc/01/92/31/211019231.db2.gz HQLVBTQDVQAELH-ZDUSSCGKSA-N -1 3 394.431 2.450 50 0 GEAAHM CN(Cc1ncc[nH]1)C(=O)[C@H]1C[C@@H](C(=O)[O-])N(C)[C@H]1c1cccc(Cl)c1 ZINC000067673767 211014519 /nfs/dbraw/zinc/01/45/19/211014519.db2.gz NHSATXKLCUEEIW-DZKIICNBSA-N -1 3 376.844 2.168 50 0 GEAAHM COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)N[C@@H](C)c1ccccc1Cl ZINC000031617706 210565456 /nfs/dbraw/zinc/56/54/56/210565456.db2.gz CHSMXUIMFYXMCI-VIFPVBQESA-N -1 3 395.868 2.488 50 0 GEAAHM COCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1ccc(Cl)cc1)C3 ZINC000019821143 210300018 /nfs/dbraw/zinc/30/00/18/210300018.db2.gz IAWCPHQNWSCLNM-LBPRGKRZSA-N -1 3 399.834 2.297 50 0 GEAAHM Cc1cc(C(=O)[N-]c2nc(C(=O)Nc3ccc(N4CCOCC4)cc3)co2)no1 ZINC000090583088 136175944 /nfs/dbraw/zinc/17/59/44/136175944.db2.gz NONIJGBXHXGWGV-UHFFFAOYSA-N -1 3 397.391 2.312 50 0 GEAAHM Cc1noc(C)c1CN1CCc2c(C(=O)NCc3cc(=O)[n-]cn3)csc2C1 ZINC000426477269 534359650 /nfs/dbraw/zinc/35/96/50/534359650.db2.gz SZVVEQVDFFJCRR-UHFFFAOYSA-N -1 3 399.476 2.337 50 0 GEAAHM CCN1CCN(c2ccc(NS(=O)(=O)c3ccccc3)c(C(=O)[O-])c2)CC1 ZINC000064461890 535749016 /nfs/dbraw/zinc/74/90/16/535749016.db2.gz QZENHIYHAWCGEV-UHFFFAOYSA-N -1 3 389.477 2.328 50 0 GEAAHM Cc1nc(C)c(CC(=O)NCc2cccnc2OCc2ccccc2)c(=O)[n-]1 ZINC000048301866 570234409 /nfs/dbraw/zinc/23/44/09/570234409.db2.gz SFWRRFIUZJQTPJ-UHFFFAOYSA-N -1 3 378.432 2.220 50 0 GEAAHM Cc1ccc(CN2CCN(C)[C@]3(C2)CCC(=O)N(CC(=O)[O-])CC3)c(C)c1F ZINC000107406069 570261121 /nfs/dbraw/zinc/26/11/21/570261121.db2.gz ZHHOWXJPCFUJID-OAQYLSRUSA-N -1 3 391.487 2.026 50 0 GEAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1nnc2ccccn21 ZINC000012323461 570314296 /nfs/dbraw/zinc/31/42/96/570314296.db2.gz NZJBKPDBBBGLFV-AWEZNQCLSA-N -1 3 388.478 2.410 50 0 GEAAHM CC(C)(C)NC(=O)CNC(=O)COC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000051692985 570314868 /nfs/dbraw/zinc/31/48/68/570314868.db2.gz OENGOPHDZJMOMW-UHFFFAOYSA-N -1 3 392.839 2.387 50 0 GEAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)Nc1ccc(Br)cc1 ZINC000007125823 570315736 /nfs/dbraw/zinc/31/57/36/570315736.db2.gz UBBOBYMEPMBDFD-UHFFFAOYSA-N -1 3 388.221 2.481 50 0 GEAAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000024888566 570397546 /nfs/dbraw/zinc/39/75/46/570397546.db2.gz ZJIMLYDEJMSIGZ-UHFFFAOYSA-N -1 3 387.461 2.433 50 0 GEAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)cc1 ZINC000011858169 570440103 /nfs/dbraw/zinc/44/01/03/570440103.db2.gz SUEDPWDBCVUREI-CYBMUJFWSA-N -1 3 394.474 2.108 50 0 GEAAHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NCCN(C)C)cc1 ZINC000006471435 570443329 /nfs/dbraw/zinc/44/33/29/570443329.db2.gz OMNUVLSEGSXORS-UHFFFAOYSA-N -1 3 379.457 2.226 50 0 GEAAHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)c1 ZINC000005051217 570499445 /nfs/dbraw/zinc/49/94/45/570499445.db2.gz RQOUZRGZVYUXAF-UHFFFAOYSA-N -1 3 390.461 2.033 50 0 GEAAHM Cc1nc(N2CCOCC2)ncc1-c1cc(=O)[n-]c(Nc2ccc(F)cc2)n1 ZINC000036235495 570561167 /nfs/dbraw/zinc/56/11/67/570561167.db2.gz NFZCABYMQAZGGB-UHFFFAOYSA-N -1 3 382.399 2.255 50 0 GEAAHM CO[C@H]1CCCN(Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[n-]3)cc2)C1 ZINC000048115571 570655170 /nfs/dbraw/zinc/65/51/70/570655170.db2.gz VUHGLSBMGTWENV-FQEVSTJZSA-N -1 3 393.491 2.487 50 0 GEAAHM CC(C)CC[N-]S(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCC3)o2)cs1 ZINC000065098818 570695946 /nfs/dbraw/zinc/69/59/46/570695946.db2.gz OAQBHFYIWYOLAD-UHFFFAOYSA-N -1 3 398.510 2.359 50 0 GEAAHM CCOC(=O)[C@@H]1[C@@H](c2ccc(OC(F)F)cc2)NC(=O)[N-][C@]1(O)C(F)(F)F ZINC000004387397 570731608 /nfs/dbraw/zinc/73/16/08/570731608.db2.gz BQZLQFWSSMGXOK-IMSIIYSGSA-N -1 3 398.284 2.072 50 0 GEAAHM COc1ccc(C(=O)O[C@@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)c(O)c1 ZINC000007026488 570742412 /nfs/dbraw/zinc/74/24/12/570742412.db2.gz ZMDBQDPSWQAJEL-NSHDSACASA-N -1 3 393.417 2.201 50 0 GEAAHM Cn1cccc1C(=O)NCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000032760513 570795596 /nfs/dbraw/zinc/79/55/96/570795596.db2.gz BNASUOQQJLRVIJ-UHFFFAOYSA-N -1 3 376.265 2.040 50 0 GEAAHM COc1ccccc1-c1nc(NC(=O)c2ccc(Cn3cncn3)cc2)n[n-]1 ZINC000052778914 570816960 /nfs/dbraw/zinc/81/69/60/570816960.db2.gz DPNDFWMAZZVVJD-UHFFFAOYSA-N -1 3 375.392 2.372 50 0 GEAAHM COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000031617883 570817905 /nfs/dbraw/zinc/81/79/05/570817905.db2.gz IZPJWDBLZWLPIK-LBPRGKRZSA-N -1 3 389.477 2.451 50 0 GEAAHM O=c1[n-]nc(SCc2cc(=O)n3ccsc3n2)n1CCc1ccccc1 ZINC000007346000 570832300 /nfs/dbraw/zinc/83/23/00/570832300.db2.gz ZICGIIQAWMWAAD-UHFFFAOYSA-N -1 3 385.474 2.176 50 0 GEAAHM O=C(c1ccc(CN/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc1)N1CCCC1 ZINC000104685546 570902233 /nfs/dbraw/zinc/90/22/33/570902233.db2.gz WCFMOTZISDPWIC-RGEXLXHISA-N -1 3 375.428 2.323 50 0 GEAAHM O=C(CC[C@H]1NC(=O)[N-]C1=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000032906588 570905230 /nfs/dbraw/zinc/90/52/30/570905230.db2.gz IPDIRIUELYDFFW-KVXZPNCJSA-N -1 3 389.455 2.388 50 0 GEAAHM CC(C)Cn1c(=O)[n-]c(=O)c2c(C(=O)NCc3ccco3)cc(C(C)C)nc21 ZINC000032031789 570934882 /nfs/dbraw/zinc/93/48/82/570934882.db2.gz NLVAAZNFRVSMQW-UHFFFAOYSA-N -1 3 384.436 2.387 50 0 GEAAHM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1ccc(NS(C)(=O)=O)cc1 ZINC000032927718 570938901 /nfs/dbraw/zinc/93/89/01/570938901.db2.gz NZFJDOGTVSSWHY-SNVBAGLBSA-N -1 3 390.433 2.376 50 0 GEAAHM CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1ccncc1 ZINC000017583765 210209796 /nfs/dbraw/zinc/20/97/96/210209796.db2.gz BVYSFUNBMQGGCV-CQSZACIVSA-N -1 3 383.470 2.259 50 0 GEAAHM O=c1[n-]c(CS(=O)(=O)c2ccccc2)nc2c1cnn2Cc1ccccc1 ZINC000014113958 210103927 /nfs/dbraw/zinc/10/39/27/210103927.db2.gz FIRQGRGVHKEIHO-UHFFFAOYSA-N -1 3 380.429 2.142 50 0 GEAAHM Nc1nccnc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012755972 210003628 /nfs/dbraw/zinc/00/36/28/210003628.db2.gz GBUKKGQNDCPPJE-UHFFFAOYSA-N -1 3 387.396 2.251 50 0 GEAAHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccccn1 ZINC000009338494 531550596 /nfs/dbraw/zinc/55/05/96/531550596.db2.gz ZNFZFFLAMPUETH-UHFFFAOYSA-N -1 3 388.276 2.026 50 0 GEAAHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccco2)c(Br)s1 ZINC000030287557 531635101 /nfs/dbraw/zinc/63/51/01/531635101.db2.gz GJHRIWUZYFODGX-UHFFFAOYSA-N -1 3 380.241 2.369 50 0 GEAAHM C[C@H](C(=O)NC1CCCCC1)[S@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000155325068 531676279 /nfs/dbraw/zinc/67/62/79/531676279.db2.gz AATFRFZETLLOPL-IJRMKIOGSA-N -1 3 379.404 2.287 50 0 GEAAHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000001060625 209295370 /nfs/dbraw/zinc/29/53/70/209295370.db2.gz XQBIXMVIQRQNFS-GOSISDBHSA-N -1 3 388.445 2.006 50 0 GEAAHM CC(C)(C)OC(=O)N1CCC(C[N-]S(=O)(=O)c2cccc3nonc32)CC1 ZINC000001030012 209290116 /nfs/dbraw/zinc/29/01/16/209290116.db2.gz CWEIHUOJWZAEJT-UHFFFAOYSA-N -1 3 396.469 2.148 50 0 GEAAHM O=S(=O)([N-]C[C@H](O)c1ccc2c(c1)OCCO2)c1ccc(Cl)s1 ZINC000244914765 209214859 /nfs/dbraw/zinc/21/48/59/209214859.db2.gz BCTQBJYTNSFULS-JTQLQIEISA-N -1 3 375.855 2.185 50 0 GEAAHM Nc1cc2ncnn2c(N2N=C(c3ccc(Cl)cc3)C[C@@]2([O-])C(F)(F)F)n1 ZINC000004478242 212064590 /nfs/dbraw/zinc/06/45/90/212064590.db2.gz RTVLZENHCGYGNN-CQSZACIVSA-N -1 3 397.748 2.225 50 0 GEAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)N=c3[nH]c4ccccc4[nH]3)cc2O1 ZINC000006623943 211576634 /nfs/dbraw/zinc/57/66/34/211576634.db2.gz KJHKEGXJYXTKHM-UHFFFAOYSA-N -1 3 381.388 2.452 50 0 GEAAHM Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)c3ccc(F)cc3F)C2=O)ccc1F ZINC000096396403 211339390 /nfs/dbraw/zinc/33/93/90/211339390.db2.gz HTCQKHHHFCTEGD-OAHLLOKOSA-N -1 3 384.379 2.496 50 0 GEAAHM COCCn1cnc2ccc(NC(=O)c3cc(-c4ccco4)[n-]n3)cc2c1=O ZINC000096231653 211321956 /nfs/dbraw/zinc/32/19/56/211321956.db2.gz GANVMDDKJZOCPL-UHFFFAOYSA-N -1 3 379.376 2.278 50 0 GEAAHM COCCn1cnc2ccc(NC(=O)c3cc(-c4ccco4)n[n-]3)cc2c1=O ZINC000096231653 211321959 /nfs/dbraw/zinc/32/19/59/211321959.db2.gz GANVMDDKJZOCPL-UHFFFAOYSA-N -1 3 379.376 2.278 50 0 GEAAHM Cc1cc(=O)c([O-])c([C@H](CC(=O)N2CCOCC2)c2ccc(F)c(F)c2)o1 ZINC000096117897 211301760 /nfs/dbraw/zinc/30/17/60/211301760.db2.gz AOQUVPIVFOSUMX-CYBMUJFWSA-N -1 3 379.359 2.313 50 0 GEAAHM O=C(CC[N-]S(=O)(=O)c1ccccc1C(F)(F)F)NCc1ccccn1 ZINC000095948455 211285411 /nfs/dbraw/zinc/28/54/11/211285411.db2.gz PEZNJWUIXSIPLW-UHFFFAOYSA-N -1 3 387.383 2.085 50 0 GEAAHM NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)c2c([O-])ccc3ccccc32)C1 ZINC000095506288 211257016 /nfs/dbraw/zinc/25/70/16/211257016.db2.gz UTGMCTPMSKKYLZ-HNNXBMFYSA-N -1 3 378.432 2.247 50 0 GEAAHM Cc1cc(F)ccc1NC(=O)CC[C@H]1CCCN(C(=O)c2cnc[n-]c2=O)C1 ZINC000095503097 211254378 /nfs/dbraw/zinc/25/43/78/211254378.db2.gz JTQHAKYHMHCPFY-CQSZACIVSA-N -1 3 386.427 2.489 50 0 GEAAHM CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cccc(C)c1[O-])CC2 ZINC000095499357 211253498 /nfs/dbraw/zinc/25/34/98/211253498.db2.gz LACCAXCXVAXHIU-UHFFFAOYSA-N -1 3 382.464 2.350 50 0 GEAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc2c(c1)n(C)c(=O)n2C ZINC000095480472 211249179 /nfs/dbraw/zinc/24/91/79/211249179.db2.gz LTKBHWCYENPEEJ-OAHLLOKOSA-N -1 3 387.465 2.372 50 0 GEAAHM COc1cc([C@H]2CC(=O)Nc3c2c(=O)[n-]n3C2CCOCC2)cc(OC)c1O ZINC000095480705 211248549 /nfs/dbraw/zinc/24/85/49/211248549.db2.gz IHYRVHYVWPLLMX-GFCCVEGCSA-N -1 3 389.408 2.374 50 0 GEAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(OCC(N)=O)cc1 ZINC000095472410 211247307 /nfs/dbraw/zinc/24/73/07/211247307.db2.gz ZGEIELMZYJTLKB-OAHLLOKOSA-N -1 3 376.438 2.046 50 0 GEAAHM O=C(c1ccc([O-])cc1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1 ZINC000091943092 211210114 /nfs/dbraw/zinc/21/01/14/211210114.db2.gz GZPLAOAWZNGIEO-UHFFFAOYSA-N -1 3 394.475 2.432 50 0 GEAAHM COCCCN1CC2(CCC1=O)CCN(C(=O)Cc1ccc([O-])c(F)c1)CC2 ZINC000092004531 211212797 /nfs/dbraw/zinc/21/27/97/211212797.db2.gz QTPIOHBPDVUGCH-UHFFFAOYSA-N -1 3 392.471 2.342 50 0 GEAAHM CN(C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O)[C@@H]1CCN(C)C1 ZINC000091547015 211194979 /nfs/dbraw/zinc/19/49/79/211194979.db2.gz WPBXZHVCDFYDEI-LLVKDONJSA-N -1 3 395.290 2.444 50 0 GEAAHM Cc1ccc2[nH]c(CN3CCc4c(=O)[n-]c(CC5CC5)nc4C3)cc(=O)c2c1 ZINC000091492945 211195103 /nfs/dbraw/zinc/19/51/03/211195103.db2.gz STNPIRVPEYLTHV-UHFFFAOYSA-N -1 3 376.460 2.431 50 0 GEAAHM O=C(c1ccccc1[O-])N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1 ZINC000091325427 211190393 /nfs/dbraw/zinc/19/03/93/211190393.db2.gz ABVWMGMIKBFXEA-UHFFFAOYSA-N -1 3 394.475 2.432 50 0 GEAAHM O=C(c1ccccc1[O-])N1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CCC1 ZINC000091325427 211190397 /nfs/dbraw/zinc/19/03/97/211190397.db2.gz ABVWMGMIKBFXEA-UHFFFAOYSA-N -1 3 394.475 2.432 50 0 GEAAHM CCOc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)C[C@H]2CCO)cc1 ZINC000072418709 211116540 /nfs/dbraw/zinc/11/65/40/211116540.db2.gz QNQCDSIZEKPYKT-LJQANCHMSA-N -1 3 384.476 2.500 50 0 GEAAHM COc1ccc(CN2CCN(C(=O)c3cccc([O-])c3)C[C@H]2CCO)c(F)c1 ZINC000072474351 211121396 /nfs/dbraw/zinc/12/13/96/211121396.db2.gz XPLVWKPJPSURJF-QGZVFWFLSA-N -1 3 388.439 2.249 50 0 GEAAHM CCc1c(C(=O)CN2CCN(C(=O)c3ccccc3[O-])CC2)[nH]c(C)c1C(C)=O ZINC000072308217 211086703 /nfs/dbraw/zinc/08/67/03/211086703.db2.gz ZTPRWEQETFFQOB-UHFFFAOYSA-N -1 3 397.475 2.434 50 0 GEAAHM O=S(=O)([N-]Cc1noc(-c2c(F)cccc2F)n1)NCc1ccccc1 ZINC000072162238 211078893 /nfs/dbraw/zinc/07/88/93/211078893.db2.gz GDHAQTDVQQZBNS-UHFFFAOYSA-N -1 3 380.376 2.139 50 0 GEAAHM CC(C)Cc1nc2ccccc2n1[C@@H](C)C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000071776976 211062528 /nfs/dbraw/zinc/06/25/28/211062528.db2.gz AXLQFCKCEXMMIG-AWEZNQCLSA-N -1 3 379.464 2.464 50 0 GEAAHM Cn1cc(C(=O)NCC2CCN(C(=O)c3cc4c(cc3[O-])CCCC4)CC2)cn1 ZINC000069423467 211039017 /nfs/dbraw/zinc/03/90/17/211039017.db2.gz ZALUNZHMSZYPTC-UHFFFAOYSA-N -1 3 396.491 2.287 50 0 GEAAHM C[C@H](CNS(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2)c1ccccc1 ZINC000067855532 211024311 /nfs/dbraw/zinc/02/43/11/211024311.db2.gz UXAWAAFFHVRALA-LLVKDONJSA-N -1 3 380.491 2.174 50 0 GEAAHM COCCN1CCC[C@@H](CN(C)c2ncnc3sc(C(=O)[O-])c(C)c32)C1 ZINC000067935339 211028902 /nfs/dbraw/zinc/02/89/02/211028902.db2.gz KXMUDBYCFWWJJG-ZDUSSCGKSA-N -1 3 378.498 2.493 50 0 GEAAHM CCCn1nc(C(=O)[O-])c2c1CC[C@@H](N1CCC(O)(c3cccnc3)CC1)C2 ZINC000067872600 211026546 /nfs/dbraw/zinc/02/65/46/211026546.db2.gz DIMBTCZRDAWIBW-MRXNPFEDSA-N -1 3 384.480 2.227 50 0 GEAAHM O=C(c1cc(=O)[n-]c(=O)[nH]1)N1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000067842470 211025543 /nfs/dbraw/zinc/02/55/43/211025543.db2.gz WHBGRMNVUXXXRN-GFCCVEGCSA-N -1 3 383.383 2.025 50 0 GEAAHM O=C(c1cc(=O)[n-]c(=O)[nH]1)N1CCC[C@@H](c2[nH]ncc2-c2ccc(F)cc2)C1 ZINC000067842470 211025546 /nfs/dbraw/zinc/02/55/46/211025546.db2.gz WHBGRMNVUXXXRN-GFCCVEGCSA-N -1 3 383.383 2.025 50 0 GEAAHM O=c1[n-]c(=O)c(CN2CCc3onc(-c4ccc(C(F)(F)F)cc4)c3C2)c[nH]1 ZINC000067740962 211019767 /nfs/dbraw/zinc/01/97/67/211019767.db2.gz CPBLZMVIRUZNIY-UHFFFAOYSA-N -1 3 392.337 2.295 50 0 GEAAHM COc1ccc2cc(C(=O)[C@H]3CCCN(Cc4cc(=O)[n-]c(=O)[nH]4)C3)ccc2c1 ZINC000067490043 211010595 /nfs/dbraw/zinc/01/05/95/211010595.db2.gz KRIJWGFIOYYYQE-KRWDZBQOSA-N -1 3 393.443 2.320 50 0 GEAAHM Cc1nc(NCC[N-]S(=O)(=O)c2cc(F)ccc2F)cc(N2CCCC2)n1 ZINC000067603383 211012297 /nfs/dbraw/zinc/01/22/97/211012297.db2.gz HCDGUDOFWJWYGC-UHFFFAOYSA-N -1 3 397.451 2.054 50 0 GEAAHM COCC(=O)N1CCC(c2nnc(C(=O)[N-]c3ccc(F)cc3F)s2)CC1 ZINC000033272998 210635388 /nfs/dbraw/zinc/63/53/88/210635388.db2.gz FFLHRPJKLMJYAO-UHFFFAOYSA-N -1 3 396.419 2.421 50 0 GEAAHM CC(=O)N1CCN(Cc2nc(=O)c3c(-c4ccc(F)cc4)csc3[n-]2)CC1 ZINC000020680783 210355559 /nfs/dbraw/zinc/35/55/59/210355559.db2.gz JHQCSHFGAHFOLX-UHFFFAOYSA-N -1 3 386.452 2.455 50 0 GEAAHM Cc1cc(N2CCCCC2)nc(NCC[N-]S(=O)(=O)c2ccccc2F)n1 ZINC000065365076 136163649 /nfs/dbraw/zinc/16/36/49/136163649.db2.gz RNYIZPFKZOIYGJ-UHFFFAOYSA-N -1 3 393.488 2.305 50 0 GEAAHM O=C([O-])[C@H](CC(=O)Nc1ccccc1F)CN1CCN(c2ccccn2)CC1 ZINC000071283243 136165595 /nfs/dbraw/zinc/16/55/95/136165595.db2.gz HSSYDGYFRBCVAT-OAHLLOKOSA-N -1 3 386.427 2.072 50 0 GEAAHM Cc1nc([C@@H]2CCCN(C(=O)c3cccc([O-])c3)C2)cc(N2CCOCC2)n1 ZINC000072454757 136171174 /nfs/dbraw/zinc/17/11/74/136171174.db2.gz NYFKIAYHPVNLKV-QGZVFWFLSA-N -1 3 382.464 2.347 50 0 GEAAHM Cc1nc([C@@H]2CCCN(C(=O)Nc3cccc(-n4cncn4)c3)C2)cc(=O)[n-]1 ZINC000426690569 534502124 /nfs/dbraw/zinc/50/21/24/534502124.db2.gz KITTYEPUWXYUPE-CQSZACIVSA-N -1 3 379.424 2.483 50 0 GEAAHM CCN1CCN(c2ccc(NS(=O)(=O)c3ccccc3)cc2C(=O)[O-])CC1 ZINC000064580577 535748221 /nfs/dbraw/zinc/74/82/21/535748221.db2.gz HLSNXLWAQHTPSE-UHFFFAOYSA-N -1 3 389.477 2.328 50 0 GEAAHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1CO ZINC000048332933 570237158 /nfs/dbraw/zinc/23/71/58/570237158.db2.gz VNAYPFKNARYHEQ-UHFFFAOYSA-N -1 3 376.434 2.263 50 0 GEAAHM CCn1cnnc1C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000048667430 570253633 /nfs/dbraw/zinc/25/36/33/570253633.db2.gz JOJBBJLCZUXWDJ-UHFFFAOYSA-N -1 3 379.667 2.192 50 0 GEAAHM Cc1cc2c(c(C)c1)[C@@H](CC(=O)NCCc1cc(=O)[n-]c(C(C)C)n1)C(=O)N2 ZINC000101807543 570285137 /nfs/dbraw/zinc/28/51/37/570285137.db2.gz KAGFRTTWEUXSCG-OAHLLOKOSA-N -1 3 382.464 2.295 50 0 GEAAHM CCn1cc(-c2noc(C[N-]S(=O)(=O)c3ccc4c(c3)CCCC4)n2)cn1 ZINC000575414435 570303371 /nfs/dbraw/zinc/30/33/71/570303371.db2.gz JGPMDBLSGHQYEE-UHFFFAOYSA-N -1 3 387.465 2.310 50 0 GEAAHM O=S(=O)([N-]CCc1nnc(Cc2cccc(F)c2)[nH]1)c1ccc(F)cc1F ZINC000035509318 570379990 /nfs/dbraw/zinc/37/99/90/570379990.db2.gz GZSOEVUIXPOSAU-UHFFFAOYSA-N -1 3 396.394 2.334 50 0 GEAAHM CCOC(=O)C1=C(C)Nc2[nH]c(=O)[n-]c(=O)c2[C@H]1c1ccc(N(CC)CC)cc1 ZINC000006386983 570403088 /nfs/dbraw/zinc/40/30/88/570403088.db2.gz RKEBMVMUYRNSFD-INIZCTEOSA-N -1 3 398.463 2.304 50 0 GEAAHM CCOC(=O)C1=C(C)Nc2[nH]c(=O)[n-]c(=O)c2[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000006386988 570403208 /nfs/dbraw/zinc/40/32/08/570403208.db2.gz RKEBMVMUYRNSFD-MRXNPFEDSA-N -1 3 398.463 2.304 50 0 GEAAHM Cc1noc(C)c1CO[C@H]1CCOC[C@H]1[N-]S(=O)(=O)Cc1ccccc1 ZINC000222384343 570409274 /nfs/dbraw/zinc/40/92/74/570409274.db2.gz DMXDPTQHQXVTQI-MSOLQXFVSA-N -1 3 380.466 2.085 50 0 GEAAHM COc1ccc(OC)c(C(=O)COC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000012992219 570410182 /nfs/dbraw/zinc/41/01/82/570410182.db2.gz IXJOYLNXDYBMEX-UHFFFAOYSA-N -1 3 393.417 2.115 50 0 GEAAHM Cc1c([O-])nc(CCNC(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)[nH]c1=O ZINC000239475383 570430149 /nfs/dbraw/zinc/43/01/49/570430149.db2.gz ANWVEAUKBSWQJH-QWHCGFSZSA-N -1 3 381.354 2.006 50 0 GEAAHM Cc1cccc([N-]S(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)c1 ZINC000011858173 570439910 /nfs/dbraw/zinc/43/99/10/570439910.db2.gz BFTUOTTXHJOBOW-CYBMUJFWSA-N -1 3 394.474 2.108 50 0 GEAAHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)c1 ZINC000011906349 570445947 /nfs/dbraw/zinc/44/59/47/570445947.db2.gz HYCBUMMGOAUGOS-UHFFFAOYSA-N -1 3 394.474 2.171 50 0 GEAAHM O=C([N-]c1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2)c1csnn1 ZINC000011914404 570447739 /nfs/dbraw/zinc/44/77/39/570447739.db2.gz YNCZVDBREMGEHF-SECBINFHSA-N -1 3 378.479 2.249 50 0 GEAAHM COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000006586160 570484084 /nfs/dbraw/zinc/48/40/84/570484084.db2.gz NPCZIYPPGSSPSI-UHFFFAOYSA-N -1 3 399.375 2.197 50 0 GEAAHM O=C([O-])CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000034926534 570548227 /nfs/dbraw/zinc/54/82/27/570548227.db2.gz ZVOPEDMVIPWAGD-UHFFFAOYSA-N -1 3 381.476 2.358 50 0 GEAAHM COC(=O)c1[n-]c(COC(=O)C2=Cc3ccccc3OC2)c(C(=O)OC)c1C ZINC000007973322 570551711 /nfs/dbraw/zinc/55/17/11/570551711.db2.gz IODJKLDJROGFKV-UHFFFAOYSA-N -1 3 385.372 2.416 50 0 GEAAHM CCN1CCN(c2ncc(-c3cc(=O)[n-]c(Nc4ccccc4)n3)c(C)n2)CC1 ZINC000036235705 570561523 /nfs/dbraw/zinc/56/15/23/570561523.db2.gz GNEIVXSMYXBJIU-UHFFFAOYSA-N -1 3 391.479 2.421 50 0 GEAAHM CC[C@H]1CN(Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[n-]3)cc2)CCO1 ZINC000048315062 570657462 /nfs/dbraw/zinc/65/74/62/570657462.db2.gz MLQZLDRYVMTMQQ-FQEVSTJZSA-N -1 3 393.491 2.487 50 0 GEAAHM Cc1cc(=O)oc(C)c1C(=O)O[C@H](C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000012631053 570693179 /nfs/dbraw/zinc/69/31/79/570693179.db2.gz SAHRZLUQFWUFPX-GFCCVEGCSA-N -1 3 393.417 2.056 50 0 GEAAHM Cc1ccc([O-])c(C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c1 ZINC000006968969 570722465 /nfs/dbraw/zinc/72/24/65/570722465.db2.gz CCCWAZCARIBLQU-UHFFFAOYSA-N -1 3 388.489 2.464 50 0 GEAAHM C[C@@H](OC(=O)c1n[nH]c2ccccc21)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000006975561 570725269 /nfs/dbraw/zinc/72/52/69/570725269.db2.gz UTGPFUMKYSWONU-LLVKDONJSA-N -1 3 387.417 2.363 50 0 GEAAHM [O-]C(c1ccccc1)=C1[C@@H](c2cccnc2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000000946544 570734711 /nfs/dbraw/zinc/73/47/11/570734711.db2.gz LKOSKKKYWCAGOJ-ZENOOKHLSA-N -1 3 381.379 2.350 50 0 GEAAHM CCc1nn(C)c(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)cn21 ZINC000065247246 570747553 /nfs/dbraw/zinc/74/75/53/570747553.db2.gz XBKRRVJYNHYKIA-UHFFFAOYSA-N -1 3 384.820 2.189 50 0 GEAAHM CCn1nc(C)n2cc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)cc2c1=O ZINC000065247036 570747624 /nfs/dbraw/zinc/74/76/24/570747624.db2.gz JGMWOJSPSZMYHQ-UHFFFAOYSA-N -1 3 384.820 2.418 50 0 GEAAHM COc1ccc(F)cc1S(=O)(=O)[N-]Cc1ccccc1CN1CCOCC1 ZINC000065362108 570759566 /nfs/dbraw/zinc/75/95/66/570759566.db2.gz CUZGACDWGXTXHV-UHFFFAOYSA-N -1 3 394.468 2.145 50 0 GEAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000005843067 570796742 /nfs/dbraw/zinc/79/67/42/570796742.db2.gz GPTPNQRBBOAFKH-UHFFFAOYSA-N -1 3 398.506 2.445 50 0 GEAAHM CC(C)[C@H](Cn1nccn1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000238821821 570801715 /nfs/dbraw/zinc/80/17/15/570801715.db2.gz CVAWGPYDBZYQRR-VIFPVBQESA-N -1 3 379.305 2.105 50 0 GEAAHM O=c1[nH]c([O-])c([C@H]2NCCc3c4ccccc4[nH]c32)c(=O)n1Cc1ccccc1 ZINC000018208633 570810435 /nfs/dbraw/zinc/81/04/35/570810435.db2.gz XWSOWJPAZNPGOJ-LJQANCHMSA-N -1 3 388.427 2.007 50 0 GEAAHM O=c1[nH]c(=O)n(Cc2ccccc2)c([O-])c1[C@H]1NCCc2c3ccccc3[nH]c21 ZINC000018208633 570810437 /nfs/dbraw/zinc/81/04/37/570810437.db2.gz XWSOWJPAZNPGOJ-LJQANCHMSA-N -1 3 388.427 2.007 50 0 GEAAHM Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccccc3C(N)=O)c([O-])c12 ZINC000007424113 570841274 /nfs/dbraw/zinc/84/12/74/570841274.db2.gz BSXXODNCCOANJQ-UHFFFAOYSA-N -1 3 387.399 2.373 50 0 GEAAHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000032906585 570905243 /nfs/dbraw/zinc/90/52/43/570905243.db2.gz IPDIRIUELYDFFW-LOPZEVIPSA-N -1 3 389.455 2.388 50 0 GEAAHM O=c1[nH]c([O-])c([C@@H]2NCCc3c4ccccc4[nH]c32)c(=O)n1-c1ccc(F)cc1 ZINC000016995797 570923267 /nfs/dbraw/zinc/92/32/67/570923267.db2.gz IZBQSHVWJYDKNF-SFHVURJKSA-N -1 3 392.390 2.087 50 0 GEAAHM O=c1[nH]c(=O)n(-c2ccc(F)cc2)c([O-])c1[C@@H]1NCCc2c3ccccc3[nH]c21 ZINC000016995797 570923269 /nfs/dbraw/zinc/92/32/69/570923269.db2.gz IZBQSHVWJYDKNF-SFHVURJKSA-N -1 3 392.390 2.087 50 0 GEAAHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000004734405 570948653 /nfs/dbraw/zinc/94/86/53/570948653.db2.gz DPMYUMZQDRMIJG-UHFFFAOYSA-N -1 3 399.925 2.029 50 0 GEAAHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCc1cc(-c2cccs2)on1 ZINC000019177664 570967606 /nfs/dbraw/zinc/96/76/06/570967606.db2.gz WHWIZFVIWIESFB-UHFFFAOYSA-N -1 3 397.434 2.030 50 0 GEAAHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2nnnn2C2CC2)CC1 ZINC000053020607 570976782 /nfs/dbraw/zinc/97/67/82/570976782.db2.gz USKFEEQQXOPVDX-UHFFFAOYSA-N -1 3 376.848 2.218 50 0 GEAAHM CCCC1(CCC)NC(=O)N(CC(=O)N=c2cc[n-]n2[C@@H](C)C2CC2)C1=O ZINC000252506510 570978813 /nfs/dbraw/zinc/97/88/13/570978813.db2.gz UGKZLLVOFSXTMB-ZDUSSCGKSA-N -1 3 375.473 2.105 50 0 GEAAHM O=C(Nc1ccccc1CN1CCc2ccccc21)C1CC2(C1)NC(=O)[N-]C2=O ZINC000170682209 571010542 /nfs/dbraw/zinc/01/05/42/571010542.db2.gz NAJOZZXSZAJUSD-UHFFFAOYSA-N -1 3 390.443 2.176 50 0 GEAAHM CSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(F)c(Cl)c1)CC(=O)N2 ZINC000046073820 571019146 /nfs/dbraw/zinc/01/91/46/571019146.db2.gz UGBYUDARAFGOAO-SSDOTTSWSA-N -1 3 382.804 2.349 50 0 GEAAHM COc1cccc([C@H]2[C@H](S(=O)(=O)[N-]C3CCCCC3)CON2C)c1OC ZINC000037553229 571030412 /nfs/dbraw/zinc/03/04/12/571030412.db2.gz DNGVFQDMUILXER-SJORKVTESA-N -1 3 384.498 2.243 50 0 GEAAHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)CN1CCc2ccccc2C1 ZINC000670441025 652748975 /nfs/dbraw/zinc/74/89/75/652748975.db2.gz ONMSQSCLOUQASK-GFCCVEGCSA-N -1 3 382.917 2.107 50 0 GEAAHM Cc1[nH]c(=O)[n-]c(=O)c1-c1cccc(C(=O)NCC2(Cn3cccn3)CC2)c1 ZINC000426503424 231231268 /nfs/dbraw/zinc/23/12/68/231231268.db2.gz QKSNNCRDBAYLGF-UHFFFAOYSA-N -1 3 379.420 2.270 50 0 GEAAHM COCCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000017321706 210209734 /nfs/dbraw/zinc/20/97/34/210209734.db2.gz UKBMMBMLFXWCBN-UHFFFAOYSA-N -1 3 382.869 2.195 50 0 GEAAHM CN1CCN(c2nc([O-])c(CC(=O)Nc3cccc4ccccc43)s2)CC1 ZINC000014111185 210103077 /nfs/dbraw/zinc/10/30/77/210103077.db2.gz ONZYWCRJCIUCRB-QGZVFWFLSA-N -1 3 382.489 2.414 50 0 GEAAHM COc1ccc(OC[C@@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000013669746 210075602 /nfs/dbraw/zinc/07/56/02/210075602.db2.gz BYLNCXDALRSJLF-CYBMUJFWSA-N -1 3 378.450 2.264 50 0 GEAAHM O=C(c1ccccc1[O-])N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000013005409 210046036 /nfs/dbraw/zinc/04/60/36/210046036.db2.gz BWOCTEUNWCEWBA-UHFFFAOYSA-N -1 3 380.853 2.192 50 0 GEAAHM CCOC(=O)c1ccc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)nc1 ZINC000013004140 210045122 /nfs/dbraw/zinc/04/51/22/210045122.db2.gz OWGLSFJYJVESMN-UHFFFAOYSA-N -1 3 395.506 2.267 50 0 GEAAHM O=S(=O)([N-][C@@H](CN1CCOCC1)c1ccccc1)c1cc(F)cc(F)c1 ZINC000013001144 210043451 /nfs/dbraw/zinc/04/34/51/210043451.db2.gz PYZRHWFMIJTZMK-SFHVURJKSA-N -1 3 382.432 2.317 50 0 GEAAHM CC(=O)NCc1ccc(S(=O)(=O)[N-]Cc2cnn(-c3ccccc3)c2)s1 ZINC000012982895 210039582 /nfs/dbraw/zinc/03/95/82/210039582.db2.gz XOYKPILKRMUYBN-UHFFFAOYSA-N -1 3 390.490 2.048 50 0 GEAAHM O=C(Nc1ccccc1[O-])c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000012914010 210028704 /nfs/dbraw/zinc/02/87/04/210028704.db2.gz UHOVWEIOGJFCTA-CQSZACIVSA-N -1 3 376.434 2.102 50 0 GEAAHM CCOC(=O)c1sc2[n-]c(Cc3nnc4n3CCCCC4)nc(=O)c2c1C ZINC000012892953 210024784 /nfs/dbraw/zinc/02/47/84/210024784.db2.gz ISEIJZCRCAPVGO-UHFFFAOYSA-N -1 3 387.465 2.378 50 0 GEAAHM O=C1COc2ccc(S(=O)(=O)[N-]c3cc4c(cc3Cl)OCO4)cc2N1 ZINC000012884944 210022018 /nfs/dbraw/zinc/02/20/18/210022018.db2.gz CYBIIGRYQHTWTJ-UHFFFAOYSA-N -1 3 382.781 2.200 50 0 GEAAHM Cn1cnc(S(=O)(=O)[N-]C2CCN(Cc3c(F)cccc3Cl)CC2)c1 ZINC000004302174 531512059 /nfs/dbraw/zinc/51/20/59/531512059.db2.gz OVYCTEPALZTCBB-UHFFFAOYSA-N -1 3 386.880 2.156 50 0 GEAAHM O=C(CN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccccc1[O-] ZINC000005772003 531520039 /nfs/dbraw/zinc/52/00/39/531520039.db2.gz RGNOEVFFDLAXGS-UHFFFAOYSA-N -1 3 375.178 2.389 50 0 GEAAHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCSc1ccccc1 ZINC000012794867 531555363 /nfs/dbraw/zinc/55/53/63/531555363.db2.gz YFMKOCDHVSQJQB-ZDUSSCGKSA-N -1 3 382.482 2.401 50 0 GEAAHM COc1ccc([C@H](C[N-]S(=O)(=O)c2cccs2)N2CCOCC2)cc1 ZINC000023977891 531600596 /nfs/dbraw/zinc/60/05/96/531600596.db2.gz GBFIKSJGHOZYHR-INIZCTEOSA-N -1 3 382.507 2.109 50 0 GEAAHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](C)Oc2cccc(Cl)c2)c(C)o1 ZINC000176189259 532129739 /nfs/dbraw/zinc/12/97/39/532129739.db2.gz MQEBPTATNIGYTP-JTQLQIEISA-N -1 3 386.857 2.347 50 0 GEAAHM CCOC(=O)[N-]C(=O)C(=CNc1cccc(Cl)c1)C(=O)NC(=O)OCC ZINC000005717165 209611305 /nfs/dbraw/zinc/61/13/05/209611305.db2.gz ABCCGTGQSUWBEH-UHFFFAOYSA-N -1 3 383.788 2.181 50 0 GEAAHM CCOC(=O)c1ccc(NC(=O)C[C@@]([O-])(C(=O)OCC)C(F)(F)F)cc1 ZINC000002770539 209384191 /nfs/dbraw/zinc/38/41/91/209384191.db2.gz CDJVYEGJXJXTHQ-OAHLLOKOSA-N -1 3 377.315 2.048 50 0 GEAAHM CCOC(=O)c1ccc(NC(=O)C[C@]([O-])(C(=O)OCC)C(F)(F)F)cc1 ZINC000002770540 209383891 /nfs/dbraw/zinc/38/38/91/209383891.db2.gz CDJVYEGJXJXTHQ-HNNXBMFYSA-N -1 3 377.315 2.048 50 0 GEAAHM O=C(N[C@]1(C(F)(F)F)[N-]C(=O)N(CCc2ccc(F)cc2)C1=O)c1ccco1 ZINC000002408382 209362196 /nfs/dbraw/zinc/36/21/96/209362196.db2.gz IQRUADDHYFJMEZ-INIZCTEOSA-N -1 3 399.300 2.406 50 0 GEAAHM O=S(=O)([N-]CC1CCN([C@@H]2CCSC2)CC1)c1c(F)cccc1F ZINC000225572837 211906953 /nfs/dbraw/zinc/90/69/53/211906953.db2.gz ZDWIECLPONWUDZ-CYBMUJFWSA-N -1 3 376.494 2.461 50 0 GEAAHM CCOC(=O)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000098212094 211379853 /nfs/dbraw/zinc/37/98/53/211379853.db2.gz UTXQEZDDVPNNEQ-UHFFFAOYSA-N -1 3 381.837 2.412 50 0 GEAAHM COc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3cc(F)cc(F)c3)C2=O)cc1 ZINC000096396232 211339435 /nfs/dbraw/zinc/33/94/35/211339435.db2.gz NXFUBXIDLYKUPT-INIZCTEOSA-N -1 3 382.388 2.057 50 0 GEAAHM COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3ccc(F)cc3F)C2=O)cc1 ZINC000096396237 211339380 /nfs/dbraw/zinc/33/93/80/211339380.db2.gz WYHYRGDYGVSDST-OAHLLOKOSA-N -1 3 382.388 2.057 50 0 GEAAHM Cc1cc(=O)c([O-])c([C@@H](CC(=O)N2CCOCC2)c2cc(F)c(F)c(F)c2)o1 ZINC000096117864 211301902 /nfs/dbraw/zinc/30/19/02/211301902.db2.gz TWJFHGMLTHCWAB-LBPRGKRZSA-N -1 3 397.349 2.452 50 0 GEAAHM COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)c3cc4n[n-]nc4cc3F)C2)c1 ZINC000096013697 211294023 /nfs/dbraw/zinc/29/40/23/211294023.db2.gz VSBDEBKYIUDTKM-LBPRGKRZSA-N -1 3 399.426 2.465 50 0 GEAAHM O=C(CN1CC(=O)[N-]C1=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000095518177 211265486 /nfs/dbraw/zinc/26/54/86/211265486.db2.gz VMBXCPGKZUEWJC-UHFFFAOYSA-N -1 3 377.444 2.147 50 0 GEAAHM CC(C)(C)C1CCN(S(=O)(=O)NCCCNC(=O)c2ccc([O-])cc2)CC1 ZINC000095461880 211243809 /nfs/dbraw/zinc/24/38/09/211243809.db2.gz WMCDUINLZACQNW-UHFFFAOYSA-N -1 3 397.541 2.105 50 0 GEAAHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cccc(C(=O)NC3CCCC3)c2)o1 ZINC000095361639 211223052 /nfs/dbraw/zinc/22/30/52/211223052.db2.gz BNQIZZASEVACCZ-NSHDSACASA-N -1 3 378.454 2.090 50 0 GEAAHM Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2c[n-]c3cc(Cl)ccc3c2=O)on1 ZINC000095378838 211232052 /nfs/dbraw/zinc/23/20/52/211232052.db2.gz GXIUPYDHGXVRSV-DIFFPNOSSA-N -1 3 387.823 2.465 50 0 GEAAHM CCN(CCc1nc2ccc(OC)cc2[nH]1)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000091575479 211197048 /nfs/dbraw/zinc/19/70/48/211197048.db2.gz FYRZIZWHPUVILV-UHFFFAOYSA-N -1 3 381.436 2.237 50 0 GEAAHM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000089887741 211185562 /nfs/dbraw/zinc/18/55/62/211185562.db2.gz VMOXYLUJIVBTQU-UHFFFAOYSA-N -1 3 387.458 2.094 50 0 GEAAHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCc2ccsc2)cc1F ZINC000089274548 211180151 /nfs/dbraw/zinc/18/01/51/211180151.db2.gz VAASYOZOWUARJN-UHFFFAOYSA-N -1 3 378.472 2.127 50 0 GEAAHM COc1ccc(CN2CCN(C(=O)c3cccc([O-])c3)C[C@@H]2CCO)cc1C ZINC000072447966 211120735 /nfs/dbraw/zinc/12/07/35/211120735.db2.gz FYRYUVBHEWWFCB-IBGZPJMESA-N -1 3 384.476 2.418 50 0 GEAAHM O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCCN(Cc2cc(=O)[n-]c(=O)[nH]2)C1 ZINC000071760048 211058449 /nfs/dbraw/zinc/05/84/49/211058449.db2.gz FRCOFJDUDNFGAE-INIZCTEOSA-N -1 3 389.455 2.410 50 0 GEAAHM O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(Cc2cc(=O)[n-]c(=O)[nH]2)C1 ZINC000071736475 211053983 /nfs/dbraw/zinc/05/39/83/211053983.db2.gz YKANZIQTXIFJQE-GFCCVEGCSA-N -1 3 381.354 2.177 50 0 GEAAHM COCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@@H](/C=C/c1ccccc1)C3 ZINC000019962306 210311559 /nfs/dbraw/zinc/31/15/59/210311559.db2.gz SVUULNQBJDIYPZ-KIUWMYQTSA-N -1 3 391.427 2.190 50 0 GEAAHM Cc1nc([C@H]2CCCN(C(=O)Nc3cccc(-n4cncn4)c3)C2)cc(=O)[n-]1 ZINC000426690568 534503271 /nfs/dbraw/zinc/50/32/71/534503271.db2.gz KITTYEPUWXYUPE-AWEZNQCLSA-N -1 3 379.424 2.483 50 0 GEAAHM C[C@@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000001271085 570260091 /nfs/dbraw/zinc/26/00/91/570260091.db2.gz DZZWHBIBMUVIIW-RKDXNWHRSA-N -1 3 392.406 2.082 50 0 GEAAHM Cc1nc(-c2nnc([N-]C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)o2)cs1 ZINC000049029231 570260302 /nfs/dbraw/zinc/26/03/02/570260302.db2.gz WSXDQJJNIOFYEE-UHFFFAOYSA-N -1 3 393.450 2.004 50 0 GEAAHM O=C([O-])[C@@H](c1ccc2c(c1)OCCO2)N1CCCN(Cc2ccccn2)CC1 ZINC000108005077 570311693 /nfs/dbraw/zinc/31/16/93/570311693.db2.gz YCAUGLWQAVYYNO-HXUWFJFHSA-N -1 3 383.448 2.186 50 0 GEAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(N(C)C)nc1 ZINC000022395959 570316108 /nfs/dbraw/zinc/31/61/08/570316108.db2.gz NCWSJBHRZONHHU-OAHLLOKOSA-N -1 3 382.511 2.151 50 0 GEAAHM COc1ccccc1CNC(=O)Cn1ccc2c1cccc2[N-]S(C)(=O)=O ZINC000218174457 570327144 /nfs/dbraw/zinc/32/71/44/570327144.db2.gz VYSVJHIVPMJCKW-UHFFFAOYSA-N -1 3 387.461 2.338 50 0 GEAAHM CC(C)c1nc(S(=O)(=O)[N-]C[C@H](c2ccsc2)n2cccn2)cn1C ZINC000575614494 570340655 /nfs/dbraw/zinc/34/06/55/570340655.db2.gz UWOXSZTXASLIEB-CQSZACIVSA-N -1 3 379.511 2.369 50 0 GEAAHM CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)[N-]C1=NCCS1)C2=O ZINC000023027939 570340787 /nfs/dbraw/zinc/34/07/87/570340787.db2.gz QZFYJNDEOVTPQS-UHFFFAOYSA-N -1 3 380.514 2.122 50 0 GEAAHM COC(=O)c1cn([N-]C(=O)c2cc(OC)cc(OC)c2)c(=O)c2ccccc12 ZINC000003630740 570349214 /nfs/dbraw/zinc/34/92/14/570349214.db2.gz KXFLVORINJLWFS-UHFFFAOYSA-N -1 3 382.372 2.189 50 0 GEAAHM COc1ccc(CNC(=O)[C@H]([N-]S(=O)(=O)c2cccs2)C(C)C)cc1 ZINC000004879852 570354207 /nfs/dbraw/zinc/35/42/07/570354207.db2.gz MPFBINLTWSLWGP-MRXNPFEDSA-N -1 3 382.507 2.376 50 0 GEAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](OCCO)c1ccsc1 ZINC000575618637 570364436 /nfs/dbraw/zinc/36/44/36/570364436.db2.gz APBWRWMMDXKWIY-AWEZNQCLSA-N -1 3 391.898 2.439 50 0 GEAAHM CN1CCN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)C[C@H]1C(=O)[O-] ZINC000248152611 570441038 /nfs/dbraw/zinc/44/10/38/570441038.db2.gz UTHBAGFFFLSUIM-IBGZPJMESA-N -1 3 377.448 2.135 50 0 GEAAHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(-n4cnnn4)cc3)nc(=O)c2c1C ZINC000006465710 570442772 /nfs/dbraw/zinc/44/27/72/570442772.db2.gz SIILVHZEMOTXTI-JTQLQIEISA-N -1 3 396.432 2.495 50 0 GEAAHM Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000011906027 570445998 /nfs/dbraw/zinc/44/59/98/570445998.db2.gz CKBVJWAPXXQGEP-UHFFFAOYSA-N -1 3 398.437 2.001 50 0 GEAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000028643667 570462214 /nfs/dbraw/zinc/46/22/14/570462214.db2.gz IYKCSZCISTVYSA-BLLLJJGKSA-N -1 3 377.466 2.152 50 0 GEAAHM CCn1c(=O)[n-]c(=O)c2c(C(=O)NCc3cccc(C)c3)cc(C(C)C)nc21 ZINC000030224638 570487067 /nfs/dbraw/zinc/48/70/67/570487067.db2.gz CYPJNOINLMYGAX-UHFFFAOYSA-N -1 3 380.448 2.467 50 0 GEAAHM Cc1cc([C@H](C)NC(=O)CCc2c(C)c3c(=O)[n-]n(C)c3[nH]c2=O)c(C)s1 ZINC000030640810 570492843 /nfs/dbraw/zinc/49/28/43/570492843.db2.gz WZSDIKUDHNFCBC-NSHDSACASA-N -1 3 388.493 2.352 50 0 GEAAHM COc1cc(CNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc(OC)c1OC ZINC000010112630 570565430 /nfs/dbraw/zinc/56/54/30/570565430.db2.gz UYDHXFODGNSFSB-UHFFFAOYSA-N -1 3 394.449 2.014 50 0 GEAAHM O=C([N-]n1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=O)c1ccncc1 ZINC000040387754 570599264 /nfs/dbraw/zinc/59/92/64/570599264.db2.gz RXVHCPPWWGRDPH-UHFFFAOYSA-N -1 3 382.383 2.490 50 0 GEAAHM O=S(=O)([N-]CCN1CCOCC1)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004510 570645428 /nfs/dbraw/zinc/64/54/28/570645428.db2.gz PMWLNZWECGRURO-UHFFFAOYSA-N -1 3 397.522 2.281 50 0 GEAAHM O=C(Cc1cccs1)N1C[C@H]2C[C@@H]1[C@@H]([N-]S(=O)(=O)c1cccs1)C2 ZINC000097942190 570672112 /nfs/dbraw/zinc/67/21/12/570672112.db2.gz IKNARITXZDTIOA-KWCYVHTRSA-N -1 3 382.532 2.320 50 0 GEAAHM Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])c(C)n2)C1 ZINC000685944938 570675935 /nfs/dbraw/zinc/67/59/35/570675935.db2.gz JWHQWQHMNTWWKV-CQSZACIVSA-N -1 3 388.493 2.447 50 0 GEAAHM CCN(Cc1nc(COC)no1)C(=O)c1c[n-]c2cc(Cl)ccc2c1=O ZINC000055099455 570683081 /nfs/dbraw/zinc/68/30/81/570683081.db2.gz XUKHKTHRYJRGCZ-UHFFFAOYSA-N -1 3 376.800 2.373 50 0 GEAAHM C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)NC[C@@H]1CCCO1 ZINC000032668005 570732209 /nfs/dbraw/zinc/73/22/09/570732209.db2.gz RWKXCIKUCFMZRZ-OCCSQVGLSA-N -1 3 399.476 2.297 50 0 GEAAHM Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)Cc3cccc(F)c3)C2=O)ccc1F ZINC000065229361 570740240 /nfs/dbraw/zinc/74/02/40/570740240.db2.gz BRFWCEJOIBQGPT-QGZVFWFLSA-N -1 3 380.416 2.498 50 0 GEAAHM CCc1nn(CC)c(=O)c2cc(S(=O)(=O)[N-]c3cc(C)ccc3F)cn21 ZINC000065247308 570747618 /nfs/dbraw/zinc/74/76/18/570747618.db2.gz ZRMRKBXJNSZHHN-UHFFFAOYSA-N -1 3 378.429 2.327 50 0 GEAAHM COc1ccc([C@H](C)NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)cc1F ZINC000007040947 570758532 /nfs/dbraw/zinc/75/85/32/570758532.db2.gz GYKBRXQDOZVKAZ-LBPRGKRZSA-N -1 3 385.395 2.105 50 0 GEAAHM Cc1ccc(NC(=O)[C@@H](OC(=O)CC[C@@H]2NC(=O)[N-]C2=O)c2ccccc2)cc1 ZINC000007093424 570788128 /nfs/dbraw/zinc/78/81/28/570788128.db2.gz JWRWQZBKNUOENY-WMZOPIPTSA-N -1 3 395.415 2.206 50 0 GEAAHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3cc(=O)[nH]c4ccccc43)CC2)n1 ZINC000238839295 570802986 /nfs/dbraw/zinc/80/29/86/570802986.db2.gz HLXXBMMMVHQPLM-UHFFFAOYSA-N -1 3 379.420 2.143 50 0 GEAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCn1cnc2sccc2c1=O ZINC000238842154 570803525 /nfs/dbraw/zinc/80/35/25/570803525.db2.gz HWTCSNBCYWJUDB-UHFFFAOYSA-N -1 3 399.881 2.099 50 0 GEAAHM Cc1cc(=O)[n-]c(N2CCC([N-]S(=O)(=O)c3ccc(Cl)s3)CC2)n1 ZINC000238947506 570815475 /nfs/dbraw/zinc/81/54/75/570815475.db2.gz WOGJDQDOTZGRHD-UHFFFAOYSA-N -1 3 388.902 2.153 50 0 GEAAHM Cc1cc(=O)[n-]c(N2CCC(NS(=O)(=O)c3ccc(Cl)s3)CC2)n1 ZINC000238947506 570815476 /nfs/dbraw/zinc/81/54/76/570815476.db2.gz WOGJDQDOTZGRHD-UHFFFAOYSA-N -1 3 388.902 2.153 50 0 GEAAHM COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)N[C@H](C)CCc1ccccc1 ZINC000031618433 570818449 /nfs/dbraw/zinc/81/84/49/570818449.db2.gz KDLQFGXCTLABTI-GFCCVEGCSA-N -1 3 389.477 2.095 50 0 GEAAHM O=S(=O)([N-]c1ccccc1F)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000007402780 570837639 /nfs/dbraw/zinc/83/76/39/570837639.db2.gz WKFMHQFHPOLZMW-UHFFFAOYSA-N -1 3 384.454 2.411 50 0 GEAAHM O=c1[n-]c(SCc2ccc(Br)cc2)nc2c1cnn2CCO ZINC000007418500 570838952 /nfs/dbraw/zinc/83/89/52/570838952.db2.gz XAFFUNUQQDHMST-UHFFFAOYSA-N -1 3 381.255 2.167 50 0 GEAAHM O=C(c1ccc2n[n-]nc2c1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000012540870 570840614 /nfs/dbraw/zinc/84/06/14/570840614.db2.gz WKRGEJXIWHZWPN-UHFFFAOYSA-N -1 3 385.855 2.448 50 0 GEAAHM O=C(NCCCCN1CCOCC1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000170602149 570861665 /nfs/dbraw/zinc/86/16/65/570861665.db2.gz FHVIESBPAZYXLZ-UHFFFAOYSA-N -1 3 382.460 2.465 50 0 GEAAHM Nc1nn2c([n-]1)nc(CSc1ncc(-c3ccccc3)n1C1CC1)cc2=O ZINC000103936895 570890716 /nfs/dbraw/zinc/89/07/16/570890716.db2.gz GWHFWHHJHBCLHA-UHFFFAOYSA-N -1 3 379.449 2.491 50 0 GEAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1C[C@H](C)[C@@H]1c1ccccc1 ZINC000170643653 570969002 /nfs/dbraw/zinc/96/90/02/570969002.db2.gz NGGQYUZEVACPOA-DETPVDSQSA-N -1 3 377.466 2.178 50 0 GEAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1OC)CC(=O)N2 ZINC000046074146 571019846 /nfs/dbraw/zinc/01/98/46/571019846.db2.gz UPORFKKVSJWSAZ-JTQLQIEISA-N -1 3 388.449 2.345 50 0 GEAAHM O=c1sccn1Cc1cc(F)ccc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000888096764 654065817 /nfs/dbraw/zinc/06/58/17/654065817.db2.gz LOFGJUXHKKXWRX-AWEZNQCLSA-N -1 3 386.470 2.408 50 0 GEAAHM Cc1cc(C)nc(CCNC(=O)c2cccc(-c3c(C)[nH]c(=O)[n-]c3=O)c2)n1 ZINC000426497149 231229929 /nfs/dbraw/zinc/22/99/29/231229929.db2.gz HIOYEHWAXPTUCL-UHFFFAOYSA-N -1 3 379.420 2.243 50 0 GEAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N[C@@H]1CCSc2ccccc21 ZINC000018699601 210220189 /nfs/dbraw/zinc/22/01/89/210220189.db2.gz RPEFWERNWWFPEK-MRXNPFEDSA-N -1 3 381.457 2.433 50 0 GEAAHM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)cn1 ZINC000016235540 210186749 /nfs/dbraw/zinc/18/67/49/210186749.db2.gz WUHJGIVPOFSZET-UHFFFAOYSA-N -1 3 389.355 2.183 50 0 GEAAHM CS(=O)(=O)[N-]c1ccc(C(=O)COc2ccc(Cl)cc2C(N)=O)cc1 ZINC000016115337 210185848 /nfs/dbraw/zinc/18/58/48/210185848.db2.gz OTQUFBOHPCLXOD-UHFFFAOYSA-N -1 3 382.825 2.072 50 0 GEAAHM Cc1cc(C)c2c(=O)[n-]c(SCC(=O)Nc3ccc4c(c3)OCO4)nc2n1 ZINC000016045868 210183782 /nfs/dbraw/zinc/18/37/82/210183782.db2.gz DZMIGLPDIBAANW-UHFFFAOYSA-N -1 3 384.417 2.394 50 0 GEAAHM COC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]Cc3ccccn3)s2)on1 ZINC000015864626 210176004 /nfs/dbraw/zinc/17/60/04/210176004.db2.gz AZNIRLAGOWOFTO-UHFFFAOYSA-N -1 3 379.419 2.063 50 0 GEAAHM NC(=O)[C@H]1CCCCN1C(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000014085498 210102440 /nfs/dbraw/zinc/10/24/40/210102440.db2.gz RLOTWTCGKHYNCX-GFCCVEGCSA-N -1 3 395.485 2.379 50 0 GEAAHM COC(=O)c1ccccc1-n1c([O-])c2onc(C=Cc3ccccc3)c2c1O ZINC000013733807 210086512 /nfs/dbraw/zinc/08/65/12/210086512.db2.gz RLPVGECMZHGKGW-LLSOJIOMSA-N -1 3 376.368 2.431 50 0 GEAAHM O=C(Cn1[n-]c(=O)c2ccccc2c1=O)Nc1nc(CN2CCCCC2)cs1 ZINC000012938172 210034711 /nfs/dbraw/zinc/03/47/11/210034711.db2.gz UPYMPEIDQOXYOD-UHFFFAOYSA-N -1 3 399.476 2.183 50 0 GEAAHM COc1ccccc1CNC(=O)CN1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012937799 210034429 /nfs/dbraw/zinc/03/44/29/210034429.db2.gz WWUPUHZBSPCFTE-UHFFFAOYSA-N -1 3 397.475 2.368 50 0 GEAAHM Cc1ccc(-n2nnnc2C[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000009571081 209835491 /nfs/dbraw/zinc/83/54/91/209835491.db2.gz VTXSWXHRKWIWPF-UHFFFAOYSA-N -1 3 377.857 2.411 50 0 GEAAHM C[C@@H](Sc1nnc2ccccn21)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000007026420 531536417 /nfs/dbraw/zinc/53/64/17/531536417.db2.gz SYVKLYTWWKLNOC-LLVKDONJSA-N -1 3 376.463 2.464 50 0 GEAAHM COCCCNC(=O)c1c([N-]C(=O)c2csnn2)sc2c1CCCC2 ZINC000009250828 209821090 /nfs/dbraw/zinc/82/10/90/209821090.db2.gz KRKJEDBEFNQJLE-UHFFFAOYSA-N -1 3 380.495 2.497 50 0 GEAAHM O=C([N-]OCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000023040096 531593708 /nfs/dbraw/zinc/59/37/08/531593708.db2.gz MJFPJZNAVNAOKG-OAHLLOKOSA-N -1 3 380.491 2.397 50 0 GEAAHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)N1CCOCC1 ZINC000024681701 531606338 /nfs/dbraw/zinc/60/63/38/531606338.db2.gz PSKXDRPXXYVVOK-JTQLQIEISA-N -1 3 386.823 2.358 50 0 GEAAHM O=C(NCC[N-]S(=O)(=O)c1cccs1)c1ccc(C(F)(F)F)cc1 ZINC000024988813 531611715 /nfs/dbraw/zinc/61/17/15/531611715.db2.gz PQYHXZUSIJFUKA-UHFFFAOYSA-N -1 3 378.397 2.475 50 0 GEAAHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cccc(-n4cnnn4)c3)nc(=O)c2c1C ZINC000008344916 209776646 /nfs/dbraw/zinc/77/66/46/209776646.db2.gz VAEGCTXGHUOHHH-JTQLQIEISA-N -1 3 396.432 2.495 50 0 GEAAHM O=C(C[N-]S(=O)(=O)/C=C/c1ccccc1)OCc1nnc(-c2ccccc2)o1 ZINC000006889627 209702410 /nfs/dbraw/zinc/70/24/10/209702410.db2.gz AOPNXFMZUCUQJU-VAWYXSNFSA-N -1 3 399.428 2.370 50 0 GEAAHM CO[C@@H](C[N-]S(=O)(=O)c1cnc(NC(C)=O)s1)c1ccc(Cl)s1 ZINC000225707442 532486866 /nfs/dbraw/zinc/48/68/66/532486866.db2.gz SYEBMWFNERIFBN-QMMMGPOBSA-N -1 3 395.915 2.482 50 0 GEAAHM CN(CC(=O)[O-])C[C@H]1CN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CCO1 ZINC000263085204 532614151 /nfs/dbraw/zinc/61/41/51/532614151.db2.gz RSBXBMHOVAGLJB-JTQLQIEISA-N -1 3 394.230 2.382 50 0 GEAAHM COc1cccc(CNC(=O)[C@H]([N-]S(=O)(=O)c2cccs2)C(C)C)c1 ZINC000004879882 209536958 /nfs/dbraw/zinc/53/69/58/209536958.db2.gz NDZVBTWMYPRWPA-MRXNPFEDSA-N -1 3 382.507 2.376 50 0 GEAAHM O=C(Cn1[n-]c(=O)c2ccccc2c1=O)NCc1cccc(C(F)(F)F)c1 ZINC000002644841 209374668 /nfs/dbraw/zinc/37/46/68/209374668.db2.gz URGZAVHHXWHOAA-UHFFFAOYSA-N -1 3 377.322 2.025 50 0 GEAAHM COc1cc(C=C2SC(=O)[N-]C2=O)cc(I)c1O ZINC000001012980 209289371 /nfs/dbraw/zinc/28/93/71/209289371.db2.gz HKPHVGNWQVVMBC-XBXARRHUSA-N -1 3 377.159 2.329 50 0 GEAAHM O=C1N[C@H](c2cccc(O)c2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000000921350 209279508 /nfs/dbraw/zinc/27/95/08/209279508.db2.gz ARGKQMOEZGOHNI-CPUCHLNUSA-N -1 3 380.322 2.496 50 0 GEAAHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1C ZINC000000813967 209267954 /nfs/dbraw/zinc/26/79/54/209267954.db2.gz VDSFBSNMAGPKKQ-UHFFFAOYSA-N -1 3 393.417 2.119 50 0 GEAAHM COc1ccc(N2C[C@@H](C[N-]S(=O)(=O)c3ccccc3F)CC2=O)cc1 ZINC000009035777 209246857 /nfs/dbraw/zinc/24/68/57/209246857.db2.gz ZKAKPWYKRRRIOB-CYBMUJFWSA-N -1 3 378.425 2.166 50 0 GEAAHM CC(C)[C@H]([N-]S(=O)(=O)/C=C\c1ccccc1)C(=O)OCC(=O)NC(C)(C)C ZINC000096504055 211343153 /nfs/dbraw/zinc/34/31/53/211343153.db2.gz HDUXNAWCARIPLY-CPFIRTDXSA-N -1 3 396.509 2.059 50 0 GEAAHM Cc1[nH]nc(-c2ccc(S(=O)(=O)[N-]Cc3ccc4c(c3)OCO4)o2)c1C ZINC000096322171 211334349 /nfs/dbraw/zinc/33/43/49/211334349.db2.gz OUVHQICNYVVDNC-UHFFFAOYSA-N -1 3 375.406 2.494 50 0 GEAAHM COc1cc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCOCC2)ccc1O ZINC000096118046 211302756 /nfs/dbraw/zinc/30/27/56/211302756.db2.gz NDVAMSRREUPBNB-MRXNPFEDSA-N -1 3 391.449 2.429 50 0 GEAAHM O=C(c1cc(=O)c2ccccc2[n-]1)N1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 ZINC000095529882 211274935 /nfs/dbraw/zinc/27/49/35/211274935.db2.gz WBSDHXSEWSCCHL-OPAMFIHVSA-N -1 3 376.412 2.139 50 0 GEAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2c1cccc(OCC(N)=O)c1 ZINC000095479048 211249287 /nfs/dbraw/zinc/24/92/87/211249287.db2.gz UORURGQQBZHSPQ-OAHLLOKOSA-N -1 3 376.438 2.046 50 0 GEAAHM O=C1COc2cc(S(=O)(=O)[N-]Cc3cc(Cl)ccn3)c(Cl)cc2N1 ZINC000095462088 211244366 /nfs/dbraw/zinc/24/43/66/211244366.db2.gz HLCUVOCTHGYWJJ-UHFFFAOYSA-N -1 3 388.232 2.198 50 0 GEAAHM C[C@H](CNC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)N(C)c1ccccc1 ZINC000095456106 211242535 /nfs/dbraw/zinc/24/25/35/211242535.db2.gz JYBLKAVAOJGZRF-RDTXWAMCSA-N -1 3 395.463 2.084 50 0 GEAAHM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(Cc1c[nH]nc1-c1ccc(F)cc1)CC2 ZINC000095387114 211233816 /nfs/dbraw/zinc/23/38/16/211233816.db2.gz PWNDCCYPOQSCBN-MRXNPFEDSA-N -1 3 386.427 2.113 50 0 GEAAHM O=C(NCc1n[nH]c(-c2ccncc2)n1)c1cnc(-c2cccs2)[n-]c1=O ZINC000092037059 211215344 /nfs/dbraw/zinc/21/53/44/211215344.db2.gz ZNCFONWCAMUMAB-UHFFFAOYSA-N -1 3 379.405 2.021 50 0 GEAAHM Cc1cc(F)ccc1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCC(=O)[O-])C1 ZINC000091594982 211195909 /nfs/dbraw/zinc/19/59/09/211195909.db2.gz BMALZCDRSZYALG-APWZRJJASA-N -1 3 391.487 2.077 50 0 GEAAHM O=C(NCCN1CCc2ccccc2C1)c1cnc(-c2ccccn2)[n-]c1=O ZINC000091847012 211208012 /nfs/dbraw/zinc/20/80/12/211208012.db2.gz WFYWSRKCDKVBQP-UHFFFAOYSA-N -1 3 375.432 2.032 50 0 GEAAHM O=C(c1cccc([O-])c1)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 ZINC000091746915 211204974 /nfs/dbraw/zinc/20/49/74/211204974.db2.gz GDMXOZWGPYIELJ-UHFFFAOYSA-N -1 3 382.464 2.203 50 0 GEAAHM CN1CCCN(C(=O)c2cnc(Cc3c(Cl)cccc3Cl)[n-]c2=O)CC1 ZINC000091493525 211194157 /nfs/dbraw/zinc/19/41/57/211194157.db2.gz QYTAEOACERIMDF-UHFFFAOYSA-N -1 3 395.290 2.445 50 0 GEAAHM CC1CCN(C(=O)C[C@H]2COCCN2C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000072475929 211125226 /nfs/dbraw/zinc/12/52/26/211125226.db2.gz XGOILQXNOCGLLC-INIZCTEOSA-N -1 3 397.475 2.430 50 0 GEAAHM COC(=O)COc1c(OC)cccc1[C@H]1CC(=O)Nc2c1c(=O)[n-]n2C(C)C ZINC000071282075 211042055 /nfs/dbraw/zinc/04/20/55/211042055.db2.gz RYOYMRQOTUJUKD-GFCCVEGCSA-N -1 3 389.408 2.441 50 0 GEAAHM COc1ccc2c(c1)CCN(C(=O)c1coc([N-]C(=O)c3cc(C)on3)n1)C2 ZINC000090582946 211035262 /nfs/dbraw/zinc/03/52/62/211035262.db2.gz GXSAQCGVCHTGCG-UHFFFAOYSA-N -1 3 382.376 2.430 50 0 GEAAHM CCc1nc(C2CCN(C(=O)c3nc4cccc(C)n4c3F)CC2)cc(=O)[n-]1 ZINC000067847855 211024320 /nfs/dbraw/zinc/02/43/20/211024320.db2.gz IIVMFINIWIBQSI-UHFFFAOYSA-N -1 3 383.427 2.447 50 0 GEAAHM CCc1ccc(CCNS(=O)(=O)c2sc3c(c2C(=O)[O-])CCNC3)cc1 ZINC000067822028 211023175 /nfs/dbraw/zinc/02/31/75/211023175.db2.gz IUTSCXMOZXNVEI-UHFFFAOYSA-N -1 3 394.518 2.175 50 0 GEAAHM O=C([O-])c1cn(C[C@@H]2CCCN(Cc3cnn(-c4ccccc4F)c3)C2)nn1 ZINC000067689045 211017943 /nfs/dbraw/zinc/01/79/43/211017943.db2.gz SKBXJYCZABVUSO-CQSZACIVSA-N -1 3 384.415 2.213 50 0 GEAAHM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]Cc3cccnc3)s2)on1 ZINC000020994777 210373353 /nfs/dbraw/zinc/37/33/53/210373353.db2.gz WPMVMGDCOKENPA-UHFFFAOYSA-N -1 3 393.446 2.453 50 0 GEAAHM Cc1nc([C@@H]2CCCN(C(=O)c3ccccc3[O-])C2)cc(N2CCOCC2)n1 ZINC000072418940 136169724 /nfs/dbraw/zinc/16/97/24/136169724.db2.gz QAEUKHCMZXLEGP-MRXNPFEDSA-N -1 3 382.464 2.347 50 0 GEAAHM Cc1cccc(N2C[C@@H](C)N(C(=O)c3ccccc3-c3nnn[n-]3)CC2=O)c1 ZINC000082137518 136173941 /nfs/dbraw/zinc/17/39/41/136173941.db2.gz YFWFHYSQPDPKNG-CQSZACIVSA-N -1 3 376.420 2.053 50 0 GEAAHM Cc1cccc(N2C[C@@H](C)N(C(=O)c3ccccc3-c3nn[n-]n3)CC2=O)c1 ZINC000082137518 136173942 /nfs/dbraw/zinc/17/39/42/136173942.db2.gz YFWFHYSQPDPKNG-CQSZACIVSA-N -1 3 376.420 2.053 50 0 GEAAHM COc1ccccc1N1C(=O)[C@H]2SCC(=O)N(c3ccc(C)cc3)C2=C1[O-] ZINC000101311456 136189564 /nfs/dbraw/zinc/18/95/64/136189564.db2.gz NTVDHCALTRDEQB-ROUUACIJSA-N -1 3 382.441 2.394 50 0 GEAAHM CS(=O)(=O)[N-]c1ccccc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000048344527 570240758 /nfs/dbraw/zinc/24/07/58/570240758.db2.gz DWYGSOIFSOFCPZ-UHFFFAOYSA-N -1 3 387.505 2.453 50 0 GEAAHM CCN1CCC[C@H]1CNC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000049592501 570270652 /nfs/dbraw/zinc/27/06/52/570270652.db2.gz OJHLISCRUNAUMK-INIZCTEOSA-N -1 3 375.494 2.425 50 0 GEAAHM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(Cc3cccs3)o2)cc1 ZINC000011694635 570343277 /nfs/dbraw/zinc/34/32/77/570343277.db2.gz ZFRGBHVEXSWRIG-UHFFFAOYSA-N -1 3 392.462 2.225 50 0 GEAAHM CCOC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@H](c3cc(=O)[n-]c(C)n3)C2)c1C ZINC000023339288 570355213 /nfs/dbraw/zinc/35/52/13/570355213.db2.gz JCEVYVJSNSGWED-AWEZNQCLSA-N -1 3 386.452 2.220 50 0 GEAAHM CCOCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000004201733 570362953 /nfs/dbraw/zinc/36/29/53/570362953.db2.gz CTEJUHCOBLCPAT-CQSZACIVSA-N -1 3 384.816 2.262 50 0 GEAAHM COc1ccc(C)cc1CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000024207960 570380726 /nfs/dbraw/zinc/38/07/26/570380726.db2.gz FZJIHBFZMLAQDK-AWEZNQCLSA-N -1 3 394.468 2.168 50 0 GEAAHM CCCn1c(=O)[n-]nc1SC[C@H]1CSc2nnc(-c3ccncc3)n21 ZINC000032777122 570394774 /nfs/dbraw/zinc/39/47/74/570394774.db2.gz WDXAWBRKQARASG-NSHDSACASA-N -1 3 375.483 2.486 50 0 GEAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000005075424 570411703 /nfs/dbraw/zinc/41/17/03/570411703.db2.gz CPAYJAULBALXOA-UHFFFAOYSA-N -1 3 396.490 2.426 50 0 GEAAHM O=C(C[C@H]1NC(=O)[N-]C1=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000011742627 570431928 /nfs/dbraw/zinc/43/19/28/570431928.db2.gz KCIMKUDERPJZEZ-GFCCVEGCSA-N -1 3 392.868 2.254 50 0 GEAAHM Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)[N-]c1ccccc1 ZINC000011858127 570440047 /nfs/dbraw/zinc/44/00/47/570440047.db2.gz KKUXHOKTDAJTOG-UHFFFAOYSA-N -1 3 394.474 2.171 50 0 GEAAHM O=C(CN1CCC([N-]S(=O)(=O)c2cccs2)CC1)NC1CCCCCC1 ZINC000054146691 570450515 /nfs/dbraw/zinc/45/05/15/570450515.db2.gz NTLRWDWSFDIBIC-UHFFFAOYSA-N -1 3 399.582 2.330 50 0 GEAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@H](C)CCc1ccccc1 ZINC000028198710 570452229 /nfs/dbraw/zinc/45/22/29/570452229.db2.gz WKRHUVQFSRTFOY-OCCSQVGLSA-N -1 3 379.482 2.096 50 0 GEAAHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)OCC(=O)c1ccc[nH]1 ZINC000028854770 570465308 /nfs/dbraw/zinc/46/53/08/570465308.db2.gz IKURKEVLHIRRPC-UHFFFAOYSA-N -1 3 391.232 2.026 50 0 GEAAHM C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1ncccc1[O-] ZINC000028869273 570465365 /nfs/dbraw/zinc/46/53/65/570465365.db2.gz MSAUYUWCAHXQOQ-FQEVSTJZSA-N -1 3 380.404 2.115 50 0 GEAAHM C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1ncccc1[O-] ZINC000028869276 570465466 /nfs/dbraw/zinc/46/54/66/570465466.db2.gz MSAUYUWCAHXQOQ-HXUWFJFHSA-N -1 3 380.404 2.115 50 0 GEAAHM CCCCC(=O)N1CCN(c2nc(CN(C)Cc3ccccc3)cc(=O)[n-]2)CC1 ZINC000035926475 570479618 /nfs/dbraw/zinc/47/96/18/570479618.db2.gz QQFZPIJJTRCWBI-UHFFFAOYSA-N -1 3 397.523 2.241 50 0 GEAAHM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc(N4CCOCC4)cc3)ccc2N1 ZINC000005252552 570529541 /nfs/dbraw/zinc/52/95/41/570529541.db2.gz KYBTXAZGPWUZKP-UHFFFAOYSA-N -1 3 387.461 2.209 50 0 GEAAHM [O-]c1c(I)cc(I)cc1CO ZINC000034772888 570544007 /nfs/dbraw/zinc/54/40/07/570544007.db2.gz NLZFTKDGHZEOJX-UHFFFAOYSA-N -1 3 375.931 2.094 50 0 GEAAHM COc1ccc(NC2=N[C@@H](C(=O)Nc3cc(OC)ccc3OC)C=C([O-])N2)cc1 ZINC000009192454 570551782 /nfs/dbraw/zinc/55/17/82/570551782.db2.gz BHDBKLUPHLVUAP-MRXNPFEDSA-N -1 3 398.419 2.008 50 0 GEAAHM O=C(Nc1ncccc1[O-])c1c(=O)n(Cc2ccco2)c2c(c1O)CCCC2 ZINC000005448487 570597047 /nfs/dbraw/zinc/59/70/47/570597047.db2.gz CUYJCTYDDMIELQ-UHFFFAOYSA-N -1 3 381.388 2.427 50 0 GEAAHM Cc1nn2c(nnc3c2ccn([N-]C(=O)c2ccncc2)c3=O)c1-c1ccccc1 ZINC000040391024 570599941 /nfs/dbraw/zinc/59/99/41/570599941.db2.gz TYAFPMAJGIJUSI-UHFFFAOYSA-N -1 3 397.398 2.194 50 0 GEAAHM CC(C)(CC(=O)N1CCN(c2ccccc2)CC1)[N-]S(=O)(=O)c1ccco1 ZINC000225829081 570622768 /nfs/dbraw/zinc/62/27/68/570622768.db2.gz QCHNZBZKXOFHLD-UHFFFAOYSA-N -1 3 391.493 2.075 50 0 GEAAHM NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3[O-])[nH]n2)cc1 ZINC000012475284 570673770 /nfs/dbraw/zinc/67/37/70/570673770.db2.gz JFVWRQKONRIYQO-UHFFFAOYSA-N -1 3 392.824 2.335 50 0 GEAAHM NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3[O-])n[nH]2)cc1 ZINC000012475284 570673772 /nfs/dbraw/zinc/67/37/72/570673772.db2.gz JFVWRQKONRIYQO-UHFFFAOYSA-N -1 3 392.824 2.335 50 0 GEAAHM Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])c(C)n2)C1 ZINC000685944937 570675920 /nfs/dbraw/zinc/67/59/20/570675920.db2.gz JWHQWQHMNTWWKV-AWEZNQCLSA-N -1 3 388.493 2.447 50 0 GEAAHM CCN(CC)C(=O)c1nc(C[N-]S(=O)(=O)c2ccc3c(c2)CCC3)oc1C ZINC000065293906 570786604 /nfs/dbraw/zinc/78/66/04/570786604.db2.gz MUBYUZJEWACYOC-UHFFFAOYSA-N -1 3 391.493 2.432 50 0 GEAAHM COc1ccc(F)cc1C(=O)COC(=O)c1cccc([N-]S(C)(=O)=O)c1 ZINC000010549394 570792385 /nfs/dbraw/zinc/79/23/85/570792385.db2.gz DCCISHCFPNJXJE-UHFFFAOYSA-N -1 3 381.381 2.246 50 0 GEAAHM O=c1c2sccc2ncn1CC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000238975107 570817508 /nfs/dbraw/zinc/81/75/08/570817508.db2.gz ZTCKYOZZWKCGKZ-UHFFFAOYSA-N -1 3 375.884 2.151 50 0 GEAAHM COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)N[C@H](C)c1ccccc1Cl ZINC000031617708 570818092 /nfs/dbraw/zinc/81/80/92/570818092.db2.gz CHSMXUIMFYXMCI-SECBINFHSA-N -1 3 395.868 2.488 50 0 GEAAHM COC(=O)c1ccccc1-n1c([O-])c2onc(C=Cc3ccccc3)c2c1O ZINC000101509780 570825942 /nfs/dbraw/zinc/82/59/42/570825942.db2.gz RLPVGECMZHGKGW-JWSDNSILSA-N -1 3 376.368 2.431 50 0 GEAAHM Cc1ccc(C(=O)COC(=O)CC[N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000003288645 570852353 /nfs/dbraw/zinc/85/23/53/570852353.db2.gz UNQNPOMUKYJELJ-UHFFFAOYSA-N -1 3 379.409 2.229 50 0 GEAAHM O=C([O-])c1cc(-c2ccc(C(=O)NCCN3CCCC[C@H]3CO)cc2)ccn1 ZINC000534592782 570906920 /nfs/dbraw/zinc/90/69/20/570906920.db2.gz QLVJMCKPVWECOZ-SFHVURJKSA-N -1 3 383.448 2.023 50 0 GEAAHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](c1ccc2c(c1)OCO2)N1CCCC1 ZINC000012197544 570962950 /nfs/dbraw/zinc/96/29/50/570962950.db2.gz HASMUHMPMVJVJN-HNNXBMFYSA-N -1 3 393.465 2.136 50 0 GEAAHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](c1ccc2c(c1)OCO2)N1CCCC1 ZINC000012197539 570963087 /nfs/dbraw/zinc/96/30/87/570963087.db2.gz HASMUHMPMVJVJN-OAHLLOKOSA-N -1 3 393.465 2.136 50 0 GEAAHM CCn1c(=O)[n-]c(=O)c2c(C(=O)OCc3ccc(F)cc3)cc(C3CC3)nc21 ZINC000083836989 570967950 /nfs/dbraw/zinc/96/79/50/570967950.db2.gz WRZHGHWDYNCJTB-UHFFFAOYSA-N -1 3 383.379 2.478 50 0 GEAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1F)CC(=O)N2 ZINC000046074064 571018959 /nfs/dbraw/zinc/01/89/59/571018959.db2.gz CASAPVVCGLDFJC-SECBINFHSA-N -1 3 376.413 2.476 50 0 GEAAHM CC(C)c1n[n-]c(S(=O)(=O)CC(=O)Nc2ccccc2Br)n1 ZINC000040152208 642521623 /nfs/dbraw/zinc/52/16/23/642521623.db2.gz BOTBWJOQFIESIZ-UHFFFAOYSA-N -1 3 387.259 2.103 50 0 GEAAHM CC(C)c1nnc(S(=O)(=O)CC(=O)Nc2ccccc2Br)[n-]1 ZINC000040152208 642521628 /nfs/dbraw/zinc/52/16/28/642521628.db2.gz BOTBWJOQFIESIZ-UHFFFAOYSA-N -1 3 387.259 2.103 50 0 GEAAHM CN(Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000018708515 210219866 /nfs/dbraw/zinc/21/98/66/210219866.db2.gz KGKJEFHNSIECPK-ZDUSSCGKSA-N -1 3 389.502 2.271 50 0 GEAAHM CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000017730076 210211163 /nfs/dbraw/zinc/21/11/63/210211163.db2.gz OPKHCZFKJKYICX-LBPRGKRZSA-N -1 3 385.214 2.354 50 0 GEAAHM CSCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1ccncc1 ZINC000017583768 210210251 /nfs/dbraw/zinc/21/02/51/210210251.db2.gz BVYSFUNBMQGGCV-AWEZNQCLSA-N -1 3 383.470 2.259 50 0 GEAAHM CS(=O)(=O)[N-]c1cccc(C(=O)OCC(=O)N2CCCc3ccccc32)c1 ZINC000015279175 210153791 /nfs/dbraw/zinc/15/37/91/210153791.db2.gz GIDDZNSFBJOIMK-UHFFFAOYSA-N -1 3 388.445 2.194 50 0 GEAAHM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1cccc(Cl)c1 ZINC000012941607 210034771 /nfs/dbraw/zinc/03/47/71/210034771.db2.gz VLHGTJUFJAHDRH-UHFFFAOYSA-N -1 3 376.844 2.140 50 0 GEAAHM COc1cccc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1 ZINC000012932692 210032344 /nfs/dbraw/zinc/03/23/44/210032344.db2.gz WOIQSJOCPVZQDC-UHFFFAOYSA-N -1 3 380.491 2.340 50 0 GEAAHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)CCNC(=O)C=Cc1ccccc1 ZINC000012855593 210019120 /nfs/dbraw/zinc/01/91/20/210019120.db2.gz REOIHPIINZKECW-BQYQJAHWSA-N -1 3 396.472 2.163 50 0 GEAAHM CCOC(=O)N1CCC([N-]S(=O)(=O)c2ccc(-c3ccon3)s2)CC1 ZINC000001032944 531499714 /nfs/dbraw/zinc/49/97/14/531499714.db2.gz CJZLURWJWLLBIZ-UHFFFAOYSA-N -1 3 385.467 2.302 50 0 GEAAHM O=S(=O)(Cc1cc2c(cc1Br)OCO2)c1nc2ncccc2[n-]1 ZINC000009355185 531550029 /nfs/dbraw/zinc/55/00/29/531550029.db2.gz KBJNGXSNKPFSOV-UHFFFAOYSA-N -1 3 396.222 2.423 50 0 GEAAHM O=S(=O)(Cc1cc2c(cc1Br)OCO2)c1nc2cccnc2[n-]1 ZINC000009355185 531550041 /nfs/dbraw/zinc/55/00/41/531550041.db2.gz KBJNGXSNKPFSOV-UHFFFAOYSA-N -1 3 396.222 2.423 50 0 GEAAHM O=S(=O)(Cc1cc2c(cc1Br)OCO2)c1nc2ccc[n-]c-2n1 ZINC000009355185 531550043 /nfs/dbraw/zinc/55/00/43/531550043.db2.gz KBJNGXSNKPFSOV-UHFFFAOYSA-N -1 3 396.222 2.423 50 0 GEAAHM O=C(CCc1ccco1)N1CCC[C@@H](C[N-]S(=O)(=O)c2cccs2)C1 ZINC000012576547 531554080 /nfs/dbraw/zinc/55/40/80/531554080.db2.gz ODIBYYRIXHHGRD-AWEZNQCLSA-N -1 3 382.507 2.491 50 0 GEAAHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CCn1ccnc1 ZINC000024371467 531603460 /nfs/dbraw/zinc/60/34/60/531603460.db2.gz YRRLOQHCCUGWTN-UHFFFAOYSA-N -1 3 394.678 2.286 50 0 GEAAHM C[C@@H](CN1CCOCC1)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000170594477 531883610 /nfs/dbraw/zinc/88/36/10/531883610.db2.gz WKZYRAHANNTUIG-NSHDSACASA-N -1 3 394.269 2.153 50 0 GEAAHM O=S(=O)(/C=C/c1ccccc1)[N-][C@@H]1COCC[C@@H]1OCc1cscn1 ZINC000219127819 532483486 /nfs/dbraw/zinc/48/34/86/532483486.db2.gz GHFYUEPBVBJJKB-DGEHHSODSA-N -1 3 380.491 2.408 50 0 GEAAHM CCOC(=O)c1cnc(SCC(=O)Nc2cc(Cl)ccc2[O-])nc1N ZINC000004821084 209529622 /nfs/dbraw/zinc/52/96/22/209529622.db2.gz QZNQLMCRMMDQOU-UHFFFAOYSA-N -1 3 382.829 2.325 50 0 GEAAHM Cc1cc(NC(=O)CSc2nc3c(cnn3-c3ccc(C)cc3)c(=O)[n-]2)no1 ZINC000002717939 209380079 /nfs/dbraw/zinc/38/00/79/209380079.db2.gz OHJLUVRLSLIOFV-UHFFFAOYSA-N -1 3 396.432 2.444 50 0 GEAAHM COc1ccccc1C(=O)[N-]n1cnc2c(cnn2-c2ccc(C)cc2)c1=O ZINC000010251407 209322851 /nfs/dbraw/zinc/32/28/51/209322851.db2.gz WJTQNAKLNVETAQ-UHFFFAOYSA-N -1 3 375.388 2.283 50 0 GEAAHM COc1cc(S(=O)(=O)[N-]Cc2cccnc2)c(OC)cc1Br ZINC000000921338 209279710 /nfs/dbraw/zinc/27/97/10/209279710.db2.gz AEWWVICRTYEQJY-UHFFFAOYSA-N -1 3 387.255 2.340 50 0 GEAAHM O=C(COc1ccc(Br)cc1)[N-]N1C(=O)c2ccccc2C1=O ZINC000000670489 209257986 /nfs/dbraw/zinc/25/79/86/209257986.db2.gz VZJBJPKZUITJGX-UHFFFAOYSA-N -1 3 375.178 2.155 50 0 GEAAHM CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(n2c([O-])coc2=O)CC1 ZINC000240067781 209215109 /nfs/dbraw/zinc/21/51/09/209215109.db2.gz SBFHICQWCRFKME-UHFFFAOYSA-N -1 3 380.828 2.467 50 0 GEAAHM CC(C)c1nc(S(=O)(=O)[N-]C[C@](O)(c2ccoc2)c2cccs2)cn1C ZINC000245015166 209214743 /nfs/dbraw/zinc/21/47/43/209214743.db2.gz LOUXINNIZMJMGW-KRWDZBQOSA-N -1 3 395.506 2.412 50 0 GEAAHM O=C(NC1(CN2CCOCC2)CCCC1)c1cccc(-c2cc(=O)[n-]cn2)c1 ZINC000299767052 212034098 /nfs/dbraw/zinc/03/40/98/212034098.db2.gz BIWWMJHDYJUDAN-UHFFFAOYSA-N -1 3 382.464 2.224 50 0 GEAAHM COc1ccc(C2=NOC3=C([O-])N(c4ccc(C(C)=O)cc4)C(=O)[C@H]23)c(OC)c1 ZINC000101358840 211398678 /nfs/dbraw/zinc/39/86/78/211398678.db2.gz RCACTWXMDCYTNJ-IEBWSBKVSA-N -1 3 394.383 2.199 50 0 GEAAHM CN(C)Cc1cccc(C(=O)N2C[C@@H]3c4ccccc4OC[C@]3(C(=O)[O-])C2)c1 ZINC000096163391 211314917 /nfs/dbraw/zinc/31/49/17/211314917.db2.gz CDRSTOLLNXICNV-XMSQKQJNSA-N -1 3 380.444 2.451 50 0 GEAAHM Cc1cc(=O)c([O-])c([C@@H](CC(=O)N2CCOCC2)c2ccc(F)c(F)c2)o1 ZINC000096117896 211302270 /nfs/dbraw/zinc/30/22/70/211302270.db2.gz AOQUVPIVFOSUMX-ZDUSSCGKSA-N -1 3 379.359 2.313 50 0 GEAAHM O=C(NCc1n[nH]c2c1CCC2)c1cnc(C23CC4CC(CC(C4)C2)C3)[n-]c1=O ZINC000091770429 211205732 /nfs/dbraw/zinc/20/57/32/211205732.db2.gz HAOAFVSVJOSKTF-UHFFFAOYSA-N -1 3 393.491 2.380 50 0 GEAAHM Cc1nc(-c2ncc(C(=O)N(C)Cc3n[nH]c4c3CCCC4)c(=O)[n-]2)cs1 ZINC000091427272 211191938 /nfs/dbraw/zinc/19/19/38/211191938.db2.gz MNUQQZYEBXAIAG-UHFFFAOYSA-N -1 3 384.465 2.488 50 0 GEAAHM Cc1c([C@@H](C)NC(=O)c2cc(=O)[n-]c(=O)[nH]2)cnn1-c1cccc2ccccc21 ZINC000091535595 211193884 /nfs/dbraw/zinc/19/38/84/211193884.db2.gz NXRYCTDUZCJVRB-GFCCVEGCSA-N -1 3 389.415 2.202 50 0 GEAAHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CCc2nc3c(s2)CCCC3)s1 ZINC000084774031 211175591 /nfs/dbraw/zinc/17/55/91/211175591.db2.gz SQDQOHOPFPPBDZ-UHFFFAOYSA-N -1 3 399.563 2.241 50 0 GEAAHM CN(CCC[C@@H]1CCCO1)Cc1cc2n(n1)CCN(C(=O)c1ncccc1[O-])C2 ZINC000072434325 211120981 /nfs/dbraw/zinc/12/09/81/211120981.db2.gz ALICFNQFKPIBGK-GOSISDBHSA-N -1 3 399.495 2.031 50 0 GEAAHM COc1cccc([C@@H]2CN(C(=O)c3ccc([O-])cn3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000071753487 211055846 /nfs/dbraw/zinc/05/58/46/211055846.db2.gz XQIDHELEDWCJPW-CEWLAPEOSA-N -1 3 379.460 2.498 50 0 GEAAHM Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N1CCc3c(nc[n-]c3=O)C1)O2 ZINC000071661812 211051143 /nfs/dbraw/zinc/05/11/43/211051143.db2.gz VZZKNWWYOOUIPH-OAQYLSRUSA-N -1 3 383.448 2.069 50 0 GEAAHM COC(=O)c1sccc1S(=O)(=O)[N-]CCc1nc(-c2ccco2)cn1C ZINC000090606999 211034629 /nfs/dbraw/zinc/03/46/29/211034629.db2.gz LKCJNFUDIPCPFM-UHFFFAOYSA-N -1 3 395.462 2.049 50 0 GEAAHM CN(CCCc1ccccc1)S(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2 ZINC000067790203 211020529 /nfs/dbraw/zinc/02/05/29/211020529.db2.gz GAEAVXDSFZLXGT-UHFFFAOYSA-N -1 3 394.518 2.345 50 0 GEAAHM COc1cccc([C@H]2CNC(=O)c3[n-]c(-c4ccc(C(=O)N(C)C)o4)nc3C2)c1 ZINC000067723394 211018864 /nfs/dbraw/zinc/01/88/64/211018864.db2.gz HQLVBTQDVQAELH-CYBMUJFWSA-N -1 3 394.431 2.450 50 0 GEAAHM O=C1[N-]C(=O)[C@@](c2cccnc2)(C2CCN(c3ncnc4sccc43)CC2)N1 ZINC000067642429 211012715 /nfs/dbraw/zinc/01/27/15/211012715.db2.gz WZSXGBZFCVENSB-IBGZPJMESA-N -1 3 394.460 2.038 50 0 GEAAHM O=C([O-])[C@@H](CC(=O)Nc1ccccc1F)CN1CCN(c2ccccn2)CC1 ZINC000071283242 136165587 /nfs/dbraw/zinc/16/55/87/136165587.db2.gz HSSYDGYFRBCVAT-HNNXBMFYSA-N -1 3 386.427 2.072 50 0 GEAAHM CCN1CCC[C@@H]1CNC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000049592499 570270763 /nfs/dbraw/zinc/27/07/63/570270763.db2.gz OJHLISCRUNAUMK-MRXNPFEDSA-N -1 3 375.494 2.425 50 0 GEAAHM COc1cccc([C@@H]2[C@H](S(=O)(=O)[N-]Cc3cccc(C)c3)CON2C)c1 ZINC000034739342 570330761 /nfs/dbraw/zinc/33/07/61/570330761.db2.gz MJVXRGVBIOLRQX-RTBURBONSA-N -1 3 376.478 2.410 50 0 GEAAHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(N2CCCS2(=O)=O)c1 ZINC000005075774 570411745 /nfs/dbraw/zinc/41/17/45/570411745.db2.gz XMUCZLROWMCUKX-UHFFFAOYSA-N -1 3 384.454 2.475 50 0 GEAAHM Cc1cn2nc(N3CCC([N-]S(=O)(=O)c4cccs4)CC3)sc2n1 ZINC000026704013 570428094 /nfs/dbraw/zinc/42/80/94/570428094.db2.gz YINHNBNLOITOIU-UHFFFAOYSA-N -1 3 383.524 2.108 50 0 GEAAHM Cc1nc(C)c(CC(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)c(=O)[n-]1 ZINC000223801230 570485382 /nfs/dbraw/zinc/48/53/82/570485382.db2.gz LYNIQRZJTSLRQF-AEJJIKPWSA-N -1 3 392.459 2.106 50 0 GEAAHM Cc1noc(-c2ccc(C(=O)[N-]N3C(=O)NC4(CCC(C)CC4)C3=O)cc2)n1 ZINC000040050193 570547527 /nfs/dbraw/zinc/54/75/27/570547527.db2.gz RBJMMNPZLXYVTQ-UHFFFAOYSA-N -1 3 383.408 2.191 50 0 GEAAHM CC(C)c1n[n-]c(S(=O)(=O)CC(=O)N2CCC(Cc3ccccc3)CC2)n1 ZINC000040152207 570558877 /nfs/dbraw/zinc/55/88/77/570558877.db2.gz NGUHQDGTULQOBI-UHFFFAOYSA-N -1 3 390.509 2.183 50 0 GEAAHM CC(C)c1nnc(S(=O)(=O)CC(=O)N2CCC(Cc3ccccc3)CC2)[n-]1 ZINC000040152207 570558879 /nfs/dbraw/zinc/55/88/79/570558879.db2.gz NGUHQDGTULQOBI-UHFFFAOYSA-N -1 3 390.509 2.183 50 0 GEAAHM CCS(=O)(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@H]1c1ccco1 ZINC000225497369 570580682 /nfs/dbraw/zinc/58/06/82/570580682.db2.gz HVLWYXMVHQTGRR-HNNXBMFYSA-N -1 3 397.478 2.152 50 0 GEAAHM CCOC(=O)[C@@H]1[C@@H](c2ccc(OC(F)F)cc2)NC(=O)[N-][C@@]1(O)C(F)(F)F ZINC000011859070 570588258 /nfs/dbraw/zinc/58/82/58/570588258.db2.gz BQZLQFWSSMGXOK-RBZYPMLTSA-N -1 3 398.284 2.072 50 0 GEAAHM CC[C@@H]1COCCN1Cc1ccc(-c2nc(CCn3cccn3)cc(=O)[n-]2)cc1 ZINC000048501567 570658785 /nfs/dbraw/zinc/65/87/85/570658785.db2.gz CULQACDYBBVLSA-HXUWFJFHSA-N -1 3 393.491 2.487 50 0 GEAAHM O=C1N[C@]([N-]S(=O)(=O)c2ccccc2)(C(F)(F)F)C(=O)N1c1ccccc1 ZINC000004615179 570671692 /nfs/dbraw/zinc/67/16/92/570671692.db2.gz OGUJMSMDDWADDL-OAHLLOKOSA-N -1 3 399.350 2.184 50 0 GEAAHM Cc1cc(=O)oc(C)c1C(=O)O[C@@H](C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000012631056 570693390 /nfs/dbraw/zinc/69/33/90/570693390.db2.gz SAHRZLUQFWUFPX-LBPRGKRZSA-N -1 3 393.417 2.056 50 0 GEAAHM O=C(N[C@H]1C[C@@H](c2cc(=O)[n-]c(N3CCCC3)n2)C1)c1ccc2nccn2c1 ZINC000253535854 570733701 /nfs/dbraw/zinc/73/37/01/570733701.db2.gz UANOKGBZJQSHHM-GASCZTMLSA-N -1 3 378.436 2.106 50 0 GEAAHM COC(=O)C1=C(C)Nc2[nH]c(=O)[n-]c(=O)c2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000000951801 570737065 /nfs/dbraw/zinc/73/70/65/570737065.db2.gz JNVOXVCWKPXQNM-LLVKDONJSA-N -1 3 381.310 2.086 50 0 GEAAHM COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)Cc3cccc(F)c3)C2=O)cc1 ZINC000065229237 570740165 /nfs/dbraw/zinc/74/01/65/570740165.db2.gz PPXFASKVWSTNFW-QGZVFWFLSA-N -1 3 378.425 2.059 50 0 GEAAHM COc1ccc(N2CC[C@H]([N-]S(=O)(=O)Cc3ccccc3F)C2=O)cc1 ZINC000065229231 570740208 /nfs/dbraw/zinc/74/02/08/570740208.db2.gz LMOYVRSLJWVERW-KRWDZBQOSA-N -1 3 378.425 2.059 50 0 GEAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C1CCN(c2cnsn2)CC1 ZINC000585148837 570742414 /nfs/dbraw/zinc/74/24/14/570742414.db2.gz KGJFLKZPLXOTCU-UHFFFAOYSA-N -1 3 388.902 2.147 50 0 GEAAHM Cc1cc(C(F)(F)F)nn1CC[N-]S(=O)(=O)c1cn(C(F)F)nc1C ZINC000036614579 570750428 /nfs/dbraw/zinc/75/04/28/570750428.db2.gz JFERIYKTBNCMLY-UHFFFAOYSA-N -1 3 387.334 2.089 50 0 GEAAHM COc1ccc(NC(=O)CC2(n3cccc3)CCOCC2)cc1-c1nnn[n-]1 ZINC000524732320 570767269 /nfs/dbraw/zinc/76/72/69/570767269.db2.gz KROCHFBKNGXTJF-UHFFFAOYSA-N -1 3 382.424 2.211 50 0 GEAAHM COc1ccc(NC(=O)CC2(n3cccc3)CCOCC2)cc1-c1nn[n-]n1 ZINC000524732320 570767271 /nfs/dbraw/zinc/76/72/71/570767271.db2.gz KROCHFBKNGXTJF-UHFFFAOYSA-N -1 3 382.424 2.211 50 0 GEAAHM Cc1cccc(-n2nc(CCc3ccccc3)nc2C[C@H]2NC(=O)[N-]C2=O)c1 ZINC000065530170 570772285 /nfs/dbraw/zinc/77/22/85/570772285.db2.gz BWCXAYHIQAXTHM-QGZVFWFLSA-N -1 3 375.432 2.111 50 0 GEAAHM Cc1oc(C[N-]S(=O)(=O)c2cccs2)nc1C(=O)N1CCC(C)CC1 ZINC000065293828 570786464 /nfs/dbraw/zinc/78/64/64/570786464.db2.gz HIMGLVRQXMVHOQ-UHFFFAOYSA-N -1 3 383.495 2.395 50 0 GEAAHM COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)N[C@H](C)c1ccc(F)cc1F ZINC000032747403 570793459 /nfs/dbraw/zinc/79/34/59/570793459.db2.gz ATWVMRUXVDVHST-MRVPVSSYSA-N -1 3 397.403 2.113 50 0 GEAAHM C[C@H](Sc1nnc(COc2ccccc2)n1C)C(=O)[N-]C1=NCCS1 ZINC000012380560 570806399 /nfs/dbraw/zinc/80/63/99/570806399.db2.gz QBONPXQWLJQKRO-NSHDSACASA-N -1 3 377.495 2.094 50 0 GEAAHM O=C(OCc1ccccc1)N1CCCC[C@@H]1CS(=O)(=O)[N-]Cc1cocn1 ZINC000585138656 570951022 /nfs/dbraw/zinc/95/10/22/570951022.db2.gz YVLWHJRWUXGJRZ-QGZVFWFLSA-N -1 3 393.465 2.285 50 0 GEAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1NC(C)=O ZINC000004742676 570956876 /nfs/dbraw/zinc/95/68/76/570956876.db2.gz XMHGZAYCMPLWMF-UHFFFAOYSA-N -1 3 380.422 2.472 50 0 GEAAHM Cc1noc(C)c1S(=O)(=O)[N-]CC1CCN(C(=O)Oc2ccccc2)CC1 ZINC000043957041 571049101 /nfs/dbraw/zinc/04/91/01/571049101.db2.gz UJZWYFMPSFTUKZ-UHFFFAOYSA-N -1 3 393.465 2.481 50 0 GEAAHM Cc1cc(I)ccc1NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000040143088 642521516 /nfs/dbraw/zinc/52/15/16/642521516.db2.gz FHFGVJRIJBLAGX-UHFFFAOYSA-N -1 3 397.216 2.481 50 0 GEAAHM Cc1cccc(CN(C[C@H]2CCCO2)C(=O)NCCc2nc(N)cc(=O)[n-]2)c1 ZINC000426548366 231239550 /nfs/dbraw/zinc/23/95/50/231239550.db2.gz ARYLGZIXTDVNMI-MRXNPFEDSA-N -1 3 385.468 2.006 50 0 GEAAHM Cc1cc2c(nc(C)n([N-]C(=O)Cn3ncc(Br)c3C)c2=O)s1 ZINC000002779145 531506474 /nfs/dbraw/zinc/50/64/74/531506474.db2.gz AHJJTRHTMZWLHA-UHFFFAOYSA-N -1 3 396.270 2.113 50 0 GEAAHM CCSc1nnc(NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)s1 ZINC000006542988 531525003 /nfs/dbraw/zinc/52/50/03/531525003.db2.gz QFAFCJAYYSOQJJ-UHFFFAOYSA-N -1 3 390.487 2.096 50 0 GEAAHM O=c1ccc(-c2ccc(S(=O)(=O)[N-]CCSCc3ccco3)s2)n[nH]1 ZINC000006974126 531533390 /nfs/dbraw/zinc/53/33/90/531533390.db2.gz GVPCISDLARGOPD-UHFFFAOYSA-N -1 3 397.503 2.303 50 0 GEAAHM Cc1nn([C@@H](C)C(=O)N2NC=C[C@@]2([O-])C(F)(F)F)c(C)c1Br ZINC000006921044 531534079 /nfs/dbraw/zinc/53/40/79/531534079.db2.gz QRUALIKOWNXSAE-GZMMTYOYSA-N -1 3 383.168 2.292 50 0 GEAAHM O=S(=O)([O-])CCCCN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000024601447 531604896 /nfs/dbraw/zinc/60/48/96/531604896.db2.gz DIYOGCCSOLDDPY-UHFFFAOYSA-N -1 3 381.420 2.281 50 0 GEAAHM O=S(=O)([N-]C[C@@H](c1cccs1)N1CCOCC1)c1cc(F)cc(F)c1 ZINC000046705153 531707770 /nfs/dbraw/zinc/70/77/70/531707770.db2.gz XCBKAWITXMGEPU-HNNXBMFYSA-N -1 3 388.461 2.378 50 0 GEAAHM O=S(=O)([N-]CCCc1cnc2ncnn2c1)c1c(Cl)cccc1Cl ZINC000225646654 532488268 /nfs/dbraw/zinc/48/82/68/532488268.db2.gz RGUWEYFYABAGHA-UHFFFAOYSA-N -1 3 386.264 2.342 50 0 GEAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CC1CCN(C(=O)N(C)C)CC1 ZINC000390831598 532706695 /nfs/dbraw/zinc/70/66/95/532706695.db2.gz STTQHSTVLUHJGM-UHFFFAOYSA-N -1 3 389.905 2.021 50 0 GEAAHM COc1ccc(F)cc1S(=O)(=O)[N-]CCOc1ccc(-c2ccco2)nn1 ZINC000010324699 212246656 /nfs/dbraw/zinc/24/66/56/212246656.db2.gz VANKPQFXOLHDOL-UHFFFAOYSA-N -1 3 393.396 2.242 50 0 GEAAHM COc1cc2c(cc1OC)[C@@H](c1c([O-])[nH]c(=S)n(C(C)C)c1=O)NCC2 ZINC000001323202 212235228 /nfs/dbraw/zinc/23/52/28/212235228.db2.gz DXCBBGNRAAVLBQ-HNNXBMFYSA-N -1 3 377.466 2.071 50 0 GEAAHM COc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1C(=O)N1CCOCC1 ZINC000001060218 212210773 /nfs/dbraw/zinc/21/07/73/212210773.db2.gz ATOFMOPIZFYBFV-UHFFFAOYSA-N -1 3 390.461 2.277 50 0 GEAAHM COC(=O)C1C(C)=NC(=S)N[C@@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000000713706 212176589 /nfs/dbraw/zinc/17/65/89/212176589.db2.gz UWQMJCZETHDWDR-LLVKDONJSA-N -1 3 387.255 2.129 50 0 GEAAHM CC(C)c1nc(S(=O)(=O)[N-]C[C@@](O)(c2ccoc2)c2cccs2)cn1C ZINC000245015167 212133485 /nfs/dbraw/zinc/13/34/85/212133485.db2.gz LOUXINNIZMJMGW-QGZVFWFLSA-N -1 3 395.506 2.412 50 0 GEAAHM Cc1cc(=NC(=O)c2sc(C)nc2C(C)C)n([C@H]2CCS(=O)(=O)C2)[n-]1 ZINC000334159389 212118948 /nfs/dbraw/zinc/11/89/48/212118948.db2.gz SUZUFONHBCWWFE-LBPRGKRZSA-N -1 3 382.511 2.114 50 0 GEAAHM O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CCN(Cc4ccccc4)C[C@@H]32)C(=O)N1 ZINC000018125276 212111522 /nfs/dbraw/zinc/11/15/22/212111522.db2.gz VCMAPYWNMGYANW-GOSISDBHSA-N -1 3 390.443 2.331 50 0 GEAAHM O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CCN(Cc4ccccc4)C[C@@H]32)C(=O)N1 ZINC000018125276 212111524 /nfs/dbraw/zinc/11/15/24/212111524.db2.gz VCMAPYWNMGYANW-GOSISDBHSA-N -1 3 390.443 2.331 50 0 GEAAHM O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1c[nH]c(=O)[n-]c1=O ZINC000007988259 221021710 /nfs/dbraw/zinc/02/17/10/221021710.db2.gz MZLZSEOHJYYDMW-UHFFFAOYSA-N -1 3 382.342 2.325 50 0 GEAAHM COc1ccc(NC2=N[C@H](C(=O)Nc3cc(OC)ccc3OC)C=C([O-])N2)cc1 ZINC000009192455 221074133 /nfs/dbraw/zinc/07/41/33/221074133.db2.gz BHDBKLUPHLVUAP-INIZCTEOSA-N -1 3 398.419 2.008 50 0 GEAAHM O=C(Cn1[n-]c(=O)c2ccccc2c1=O)NCCCc1nc2ccccc2s1 ZINC000009854544 221092783 /nfs/dbraw/zinc/09/27/83/221092783.db2.gz JRHLAECVTLUTHV-UHFFFAOYSA-N -1 3 394.456 2.049 50 0 GEAAHM CC1CCC2(CC1)NC(=O)N([N-]C(=O)COc1ccc(F)cc1Cl)C2=O ZINC000011028252 221110370 /nfs/dbraw/zinc/11/03/70/221110370.db2.gz DAJYBJDBDWMXPM-UHFFFAOYSA-N -1 3 383.807 2.390 50 0 GEAAHM C[C@@H](NC(=O)c1ccco1)c1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000013346487 221266056 /nfs/dbraw/zinc/26/60/56/221266056.db2.gz DXWOLGIPSIUFAS-SNVBAGLBSA-N -1 3 376.394 2.192 50 0 GEAAHM COCCNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)cc1 ZINC000013850724 221292072 /nfs/dbraw/zinc/29/20/72/221292072.db2.gz BSYFBPBBSBAAAR-UHFFFAOYSA-N -1 3 392.477 2.110 50 0 GEAAHM Cc1cc([N-]C(=O)c2cc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cs2)no1 ZINC000016651585 221367244 /nfs/dbraw/zinc/36/72/44/221367244.db2.gz SUONHEBCKGXXIH-GHMZBOCLSA-N -1 3 385.467 2.095 50 0 GEAAHM Cc1cc(N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)nc(C(C)C)n1 ZINC000091548770 136176615 /nfs/dbraw/zinc/17/66/15/136176615.db2.gz OIYSNQUNDYKFOS-MSOLQXFVSA-N -1 3 389.544 2.216 50 0 GEAAHM O=S(=O)([N-]C[C@H](c1cccs1)N1CCOCC1)c1cc(F)cc(F)c1 ZINC000046705151 221973780 /nfs/dbraw/zinc/97/37/80/221973780.db2.gz XCBKAWITXMGEPU-OAHLLOKOSA-N -1 3 388.461 2.378 50 0 GEAAHM O=C(c1nc(-c2csc(S(=O)(=O)[N-]C3CCCC3)c2)no1)N1CCCC1 ZINC000065097362 222100880 /nfs/dbraw/zinc/10/08/80/222100880.db2.gz OQVZCHNBACDJAB-UHFFFAOYSA-N -1 3 396.494 2.255 50 0 GEAAHM O=C([O-])c1cn(C[C@H]2CCCN(Cc3cnn(-c4ccccc4F)c3)C2)nn1 ZINC000067689044 222156151 /nfs/dbraw/zinc/15/61/51/222156151.db2.gz SKBXJYCZABVUSO-AWEZNQCLSA-N -1 3 384.415 2.213 50 0 GEAAHM Cn1nc(C2CCN(C(=O)c3ccc([O-])cc3)CC2)n(Cc2ccccc2)c1=O ZINC000067713890 222156461 /nfs/dbraw/zinc/15/64/61/222156461.db2.gz ZTRCVDVULSXFSV-UHFFFAOYSA-N -1 3 392.459 2.356 50 0 GEAAHM COc1cccc(-c2n[nH]cc2C(=O)N2CCC[C@H](c3cc(=O)[n-]cn3)C2)c1 ZINC000067821791 222160961 /nfs/dbraw/zinc/16/09/61/222160961.db2.gz WPTNVQKAFDFKGK-AWEZNQCLSA-N -1 3 379.420 2.188 50 0 GEAAHM COC(=O)COc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1c(=O)[n-]n2C(C)C ZINC000071282074 222178643 /nfs/dbraw/zinc/17/86/43/222178643.db2.gz RYOYMRQOTUJUKD-LBPRGKRZSA-N -1 3 389.408 2.441 50 0 GEAAHM CC1CCN(C(=O)C[C@@H]2COCCN2C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000072475928 222265820 /nfs/dbraw/zinc/26/58/20/222265820.db2.gz XGOILQXNOCGLLC-MRXNPFEDSA-N -1 3 397.475 2.430 50 0 GEAAHM CCc1nccn1CCC(=O)N1CCc2c(=O)[n-]c(-c3ccccc3)nc2C1 ZINC000072162364 222215284 /nfs/dbraw/zinc/21/52/84/222215284.db2.gz XYMKBTBWFRFXRP-UHFFFAOYSA-N -1 3 377.448 2.171 50 0 GEAAHM Cc1cc(C[N-]S(=O)(=O)c2ccc3c(c2)CCN(C(=O)C2(C)CC2)C3)no1 ZINC000077505204 222284769 /nfs/dbraw/zinc/28/47/69/222284769.db2.gz MNJUNORBRPDJBQ-UHFFFAOYSA-N -1 3 389.477 2.146 50 0 GEAAHM CCOC(=O)C(=O)[N-]C(=O)c1cc2cc(OC)ccc2o/c1=N\c1ccccc1 ZINC000098212114 222454582 /nfs/dbraw/zinc/45/45/82/222454582.db2.gz VUXLHJMYWVOHQV-XDOYNYLZSA-N -1 3 394.383 2.493 50 0 GEAAHM O=S(=O)(CCC(F)(F)F)[N-]C[C@](O)(c1ccccc1)C1CCOCC1 ZINC000575610788 570335865 /nfs/dbraw/zinc/33/58/65/570335865.db2.gz ANVAAPCSGXJWLA-HNNXBMFYSA-N -1 3 381.416 2.173 50 0 GEAAHM CSCC[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1ccccc1 ZINC000004909189 570362020 /nfs/dbraw/zinc/36/20/20/570362020.db2.gz NNRFMFODFFSMPP-CQSZACIVSA-N -1 3 384.548 2.465 50 0 GEAAHM O=S(=O)([N-][C@@H](CN1CCOCC1)c1ccccc1)c1ccc(F)cc1F ZINC000024193283 570380435 /nfs/dbraw/zinc/38/04/35/570380435.db2.gz OMOZQEHDBMHBST-KRWDZBQOSA-N -1 3 382.432 2.317 50 0 GEAAHM CCN(CC)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc([C@@H]3CCCO3)o2)cc1 ZINC000010970396 570399627 /nfs/dbraw/zinc/39/96/27/570399627.db2.gz GQRHQIQRDLGPQX-AWEZNQCLSA-N -1 3 394.453 2.204 50 0 GEAAHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c(F)cc1F ZINC000025045069 570403673 /nfs/dbraw/zinc/40/36/73/570403673.db2.gz XRKDBVJEMIVLIQ-UHFFFAOYSA-N -1 3 396.371 2.437 50 0 GEAAHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000005075758 570411570 /nfs/dbraw/zinc/41/15/70/570411570.db2.gz APAZPFCJOLLUSA-UHFFFAOYSA-N -1 3 396.490 2.426 50 0 GEAAHM O=c1[nH]c([O-])c([C@H]2NCCc3c4ccccc4[nH]c32)c(=O)n1-c1cccc(F)c1 ZINC000100768338 570442818 /nfs/dbraw/zinc/44/28/18/570442818.db2.gz CXFRUHLZGXDSSV-GOSISDBHSA-N -1 3 392.390 2.087 50 0 GEAAHM O=c1[nH]c(=O)n(-c2cccc(F)c2)c([O-])c1[C@H]1NCCc2c3ccccc3[nH]c21 ZINC000100768338 570442821 /nfs/dbraw/zinc/44/28/21/570442821.db2.gz CXFRUHLZGXDSSV-GOSISDBHSA-N -1 3 392.390 2.087 50 0 GEAAHM CCCCN(CC)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(COC)o2)cc1 ZINC000002720194 570508241 /nfs/dbraw/zinc/50/82/41/570508241.db2.gz GYAFDAIOPPDEHF-UHFFFAOYSA-N -1 3 396.469 2.279 50 0 GEAAHM COc1ccc(S(=O)(=O)[N-]c2cc3[nH]c(=O)[nH]c3cc2Cl)cc1OC ZINC000035506186 570553735 /nfs/dbraw/zinc/55/37/35/570553735.db2.gz CGROZAGLJVUHBZ-UHFFFAOYSA-N -1 3 383.813 2.328 50 0 GEAAHM C[C@@](CO)(CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1)Cc1ccccc1 ZINC000240934404 570685999 /nfs/dbraw/zinc/68/59/99/570685999.db2.gz JBWFMBFSMIHQTD-IBGZPJMESA-N -1 3 376.478 2.029 50 0 GEAAHM Nc1nc([C@H]2C[C@@H](NC(=O)Cc3csc(-c4ccccc4)n3)C2)cc(=O)[n-]1 ZINC000253535173 570733545 /nfs/dbraw/zinc/73/35/45/570733545.db2.gz KCVQWXCDPNKJKS-BETUJISGSA-N -1 3 381.461 2.493 50 0 GEAAHM COc1ccc(CC(=O)O[C@@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000007025947 570742526 /nfs/dbraw/zinc/74/25/26/570742526.db2.gz QUVVLVOYUIDNBJ-ZDUSSCGKSA-N -1 3 391.445 2.424 50 0 GEAAHM Cc1ncc(CC(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)c(=O)[n-]1 ZINC000065393610 570764494 /nfs/dbraw/zinc/76/44/94/570764494.db2.gz XVZFIGRKYABCLC-VQTJNVASSA-N -1 3 377.444 2.151 50 0 GEAAHM COc1ccc(C)cc1CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000032748260 570794001 /nfs/dbraw/zinc/79/40/01/570794001.db2.gz FZJIHBFZMLAQDK-CQSZACIVSA-N -1 3 394.468 2.168 50 0 GEAAHM COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1ccc(F)c(F)c1F ZINC000031618348 570818275 /nfs/dbraw/zinc/81/82/75/570818275.db2.gz CYHKSOMAEYCKOR-UHFFFAOYSA-N -1 3 387.339 2.013 50 0 GEAAHM Cc1cc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccccc2C)n[nH]1 ZINC000004687688 570834124 /nfs/dbraw/zinc/83/41/24/570834124.db2.gz SLQPZYLRTOMIQN-UHFFFAOYSA-N -1 3 395.448 2.180 50 0 GEAAHM Cc1cc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccccc2C)n[nH]1 ZINC000004687688 570834125 /nfs/dbraw/zinc/83/41/25/570834125.db2.gz SLQPZYLRTOMIQN-UHFFFAOYSA-N -1 3 395.448 2.180 50 0 GEAAHM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCN(C)C)c2)c1 ZINC000003292288 570852635 /nfs/dbraw/zinc/85/26/35/570852635.db2.gz XYXCQROGJNAUCG-UHFFFAOYSA-N -1 3 375.494 2.396 50 0 GEAAHM CCc1[nH]nc(S(=O)(=O)[N-]Cc2ccc(C(F)(F)F)cc2)c1C(=O)OC ZINC000033256040 570863548 /nfs/dbraw/zinc/86/35/48/570863548.db2.gz KDILLETYBLVJBM-UHFFFAOYSA-N -1 3 391.371 2.256 50 0 GEAAHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1nc2ccc(F)cc2n1C ZINC000170616402 570873830 /nfs/dbraw/zinc/87/38/30/570873830.db2.gz WCWCKONEBPSZPC-UHFFFAOYSA-N -1 3 397.453 2.347 50 0 GEAAHM Cc1cc(=NC(=O)c2nc(C)sc2C(C)C)n([C@@H]2CCS(=O)(=O)C2)[n-]1 ZINC000334159147 570876332 /nfs/dbraw/zinc/87/63/32/570876332.db2.gz GQSBVUJBRJGZSQ-GFCCVEGCSA-N -1 3 382.511 2.114 50 0 GEAAHM C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ncccc2[O-])C1=O ZINC000022262560 570885334 /nfs/dbraw/zinc/88/53/34/570885334.db2.gz VHEDHVCJBBFUPB-NRFANRHFSA-N -1 3 390.399 2.346 50 0 GEAAHM C[C@@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[O-])N1CCN(C)CC1 ZINC000097002706 570885966 /nfs/dbraw/zinc/88/59/66/570885966.db2.gz PKCGPQMKSFRXPT-KRWDZBQOSA-N -1 3 383.492 2.337 50 0 GEAAHM CN1CCN([C@H](CC(=O)Nc2ccc(Nc3ccccc3)cc2)C(=O)[O-])CC1 ZINC000022467988 570898268 /nfs/dbraw/zinc/89/82/68/570898268.db2.gz RPSDQIQCAGNTPD-LJQANCHMSA-N -1 3 382.464 2.459 50 0 GEAAHM CCc1nc2sc([C@@H](c3cccs3)N3CCC(C(N)=O)CC3)c([O-])n2n1 ZINC000004584814 570918511 /nfs/dbraw/zinc/91/85/11/570918511.db2.gz WJNIQGJFFAIIAX-CYBMUJFWSA-N -1 3 391.522 2.407 50 0 GEAAHM O=C(OCc1ccccc1)N1CCCC[C@H]1CS(=O)(=O)[N-]Cc1cocn1 ZINC000585138655 570950937 /nfs/dbraw/zinc/95/09/37/570950937.db2.gz YVLWHJRWUXGJRZ-KRWDZBQOSA-N -1 3 393.465 2.285 50 0 GEAAHM Cc1ccc(-c2nnn(CC(=O)N=c3cc[n-]n3Cc3cccc(C)c3)n2)cc1 ZINC000252453051 570958341 /nfs/dbraw/zinc/95/83/41/570958341.db2.gz YWBBJKQWLXGLPD-UHFFFAOYSA-N -1 3 387.447 2.262 50 0 GEAAHM CCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)C(=O)NCCc2ccccc2)N1 ZINC000004173683 570974679 /nfs/dbraw/zinc/97/46/79/570974679.db2.gz WCJRPPSNRMHVRR-QGZVFWFLSA-N -1 3 385.386 2.375 50 0 GEAAHM O=S(=O)([N-]C[C@H](c1ccccc1)N1CCOCC1)c1ccc(F)cc1F ZINC000044782735 570977430 /nfs/dbraw/zinc/97/74/30/570977430.db2.gz UFRIVOBKGPLRFI-QGZVFWFLSA-N -1 3 382.432 2.317 50 0 GEAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(OC)cc1)CC(=O)N2 ZINC000046074153 571019481 /nfs/dbraw/zinc/01/94/81/571019481.db2.gz QWZKGJSFJYCHGB-GFCCVEGCSA-N -1 3 388.449 2.345 50 0 GEAAHM Cc1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)cc1F ZINC000091636339 571020163 /nfs/dbraw/zinc/02/01/63/571020163.db2.gz QQGSXTPWDSNTKN-MJGOQNOKSA-N -1 3 391.487 2.077 50 0 GEAAHM CCC(=O)N1CCc2[nH]cnc2C12CCN(Cc1ccc(C(=O)[O-])cc1)CC2 ZINC000091664136 571024360 /nfs/dbraw/zinc/02/43/60/571024360.db2.gz QZXKAHQPFOBRTB-UHFFFAOYSA-N -1 3 382.464 2.394 50 0 GEAAHM CCC(=O)N1CCc2nc[nH]c2C12CCN(Cc1ccc(C(=O)[O-])cc1)CC2 ZINC000091664136 571024363 /nfs/dbraw/zinc/02/43/63/571024363.db2.gz QZXKAHQPFOBRTB-UHFFFAOYSA-N -1 3 382.464 2.394 50 0 GEAAHM COc1ccc([C@@H]2CN(C(=O)c3ncccc3[O-])[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095357371 571052825 /nfs/dbraw/zinc/05/28/25/571052825.db2.gz QQIMHNXNWPMRRC-IOMROCGXSA-N -1 3 379.460 2.498 50 0 GEAAHM O=C([O-])c1cccc([C@H]2CCCN(Cc3cc(=O)n4cccc(O)c4n3)C2)c1 ZINC000095359868 571054680 /nfs/dbraw/zinc/05/46/80/571054680.db2.gz VUXGWKGVJPLEBQ-INIZCTEOSA-N -1 3 379.416 2.478 50 0 GEAAHM CCCn1cnnc1C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000670452794 652749725 /nfs/dbraw/zinc/74/97/25/652749725.db2.gz MOBZOCMJXFBBTF-UHFFFAOYSA-N -1 3 379.269 2.482 50 0 GEAAHM Cc1cc(C(=O)N2CCC[C@H](c3ccccc3)C2)c2c(=O)[n-]c(=O)n(C)c2n1 ZINC000426606762 231246621 /nfs/dbraw/zinc/24/66/21/231246621.db2.gz PKSXSWFENIPBGD-HNNXBMFYSA-N -1 3 378.432 2.362 50 0 GEAAHM CCc1n[nH]c2c1CN(C(=O)c1ccc(-c3c(C)[nH]c(=O)[n-]c3=O)cc1)CC2 ZINC000426635505 529470170 /nfs/dbraw/zinc/47/01/70/529470170.db2.gz QNDDPGQLPCICCT-UHFFFAOYSA-N -1 3 379.420 2.347 50 0 GEAAHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(NC(C)=O)cc2)ccc1Cl ZINC000006905570 531533353 /nfs/dbraw/zinc/53/33/53/531533353.db2.gz XQSLUBIQTFZFQQ-UHFFFAOYSA-N -1 3 381.841 2.459 50 0 GEAAHM C[C@H](NC(=O)CCc1n[n-]c(=S)[nH]c1=O)c1ccccc1Br ZINC000012852393 531555989 /nfs/dbraw/zinc/55/59/89/531555989.db2.gz HHEFBUJTEMSALL-QMMMGPOBSA-N -1 3 383.271 2.400 50 0 GEAAHM CN1CCN([N-]C(=S)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000020220182 531581172 /nfs/dbraw/zinc/58/11/72/531581172.db2.gz SZTJWLJCLRJDGB-UHFFFAOYSA-N -1 3 380.823 2.377 50 0 GEAAHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000021113253 531584791 /nfs/dbraw/zinc/58/47/91/531584791.db2.gz DOQMBICLRKIVBP-UHFFFAOYSA-N -1 3 380.491 2.372 50 0 GEAAHM CN1CCN([C@@H](C[N-]S(=O)(=O)c2ccccc2F)c2ccsc2)CC1 ZINC000022767108 531592731 /nfs/dbraw/zinc/59/27/31/531592731.db2.gz YAHNIODIHWWXRG-INIZCTEOSA-N -1 3 383.514 2.154 50 0 GEAAHM O=C(CCc1cccnc1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000030999967 531643329 /nfs/dbraw/zinc/64/33/29/531643329.db2.gz QTTATFINCKNMIP-UHFFFAOYSA-N -1 3 379.507 2.045 50 0 GEAAHM O=C1NCCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000186347610 532340577 /nfs/dbraw/zinc/34/05/77/532340577.db2.gz WZVSCFZAGXCCHD-CQSZACIVSA-N -1 3 386.901 2.466 50 0 GEAAHM O=C(NC1CC1)c1cc(S(=O)(=O)[N-]C[C@@H]2CCCO2)c(Cl)cc1Cl ZINC000001422351 212243223 /nfs/dbraw/zinc/24/32/23/212243223.db2.gz OYCDKMNBGXHXIG-JTQLQIEISA-N -1 3 393.292 2.343 50 0 GEAAHM CCN1CCOc2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2C1=O ZINC000009828206 212233580 /nfs/dbraw/zinc/23/35/80/212233580.db2.gz MEBVEHVZKPNAPV-UHFFFAOYSA-N -1 3 376.434 2.351 50 0 GEAAHM CCOC(=O)C1CCN(C(=O)C(=C([O-])c2ccccc2)n2ccccc2=O)CC1 ZINC000000819372 212185213 /nfs/dbraw/zinc/18/52/13/212185213.db2.gz ZIKUKDJOOBELMY-LJQANCHMSA-N -1 3 396.443 2.074 50 0 GEAAHM COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc(Cl)c1[O-] ZINC000000706399 212175236 /nfs/dbraw/zinc/17/52/36/212175236.db2.gz CWIRGHMRUNPYIC-NHYWBVRUSA-N -1 3 396.827 2.404 50 0 GEAAHM CCOc1ccc(N2C[C@@H](C[N-]S(=O)(=O)c3cccs3)CC2=O)cc1 ZINC000009036057 212162422 /nfs/dbraw/zinc/16/24/22/212162422.db2.gz UQFPNCOVCHCZAE-CYBMUJFWSA-N -1 3 380.491 2.478 50 0 GEAAHM CC(C)n1cnc(S(=O)(=O)[N-]C[C@@H](c2ccco2)N2CCSCC2)c1 ZINC000253401852 212136234 /nfs/dbraw/zinc/13/62/34/212136234.db2.gz NPRQCALJNAFNQP-AWEZNQCLSA-N -1 3 384.527 2.125 50 0 GEAAHM Cc1cc(S(=O)(=O)[N-]CCCO)c(Br)cc1Br ZINC000054363535 212131447 /nfs/dbraw/zinc/13/14/47/212131447.db2.gz BHANWGWEPLCIBJ-UHFFFAOYSA-N -1 3 387.093 2.181 50 0 GEAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1C(=O)N1CCOCC1 ZINC000007360462 220994662 /nfs/dbraw/zinc/99/46/62/220994662.db2.gz RFTSSIPCOLPMSB-UHFFFAOYSA-N -1 3 390.461 2.277 50 0 GEAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cc(C)cc(C)c1N(CC(C)C)C2=O ZINC000008335285 221038138 /nfs/dbraw/zinc/03/81/38/221038138.db2.gz SNBJLIKQAKYZGQ-IBGZPJMESA-N -1 3 388.493 2.461 50 0 GEAAHM CCOc1ccc(-n2nnnc2C[N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000009571142 221085011 /nfs/dbraw/zinc/08/50/11/221085011.db2.gz ZVAGHQGOXSPTLA-UHFFFAOYSA-N -1 3 393.856 2.193 50 0 GEAAHM CC(C)NC(=O)CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000009621903 221088046 /nfs/dbraw/zinc/08/80/46/221088046.db2.gz KMWZGOSOLZNVSW-UHFFFAOYSA-N -1 3 377.857 2.379 50 0 GEAAHM O=S(=O)([N-]CCNc1ccc(Nc2ccccn2)nn1)c1cccs1 ZINC000011697470 221123835 /nfs/dbraw/zinc/12/38/35/221123835.db2.gz UHNBYBSZYOVDDH-UHFFFAOYSA-N -1 3 376.467 2.067 50 0 GEAAHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1C ZINC000011858106 221133167 /nfs/dbraw/zinc/13/31/67/221133167.db2.gz BYIQDDLFUCIIOG-UHFFFAOYSA-N -1 3 394.474 2.171 50 0 GEAAHM COc1ccc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1F ZINC000013018815 221257571 /nfs/dbraw/zinc/25/75/71/221257571.db2.gz VMAHLKGWMBUNMY-UHFFFAOYSA-N -1 3 398.481 2.479 50 0 GEAAHM O=C(CCNS(=O)(=O)c1ccccc1Br)Nc1ccccc1[O-] ZINC000014201557 221304686 /nfs/dbraw/zinc/30/46/86/221304686.db2.gz JZXDTCJRRAOYQO-UHFFFAOYSA-N -1 3 399.266 2.462 50 0 GEAAHM COc1ccc(NC(=O)C=C2[N-]S(=O)(=O)c3ccccc3N2)c(OC)c1 ZINC000015826713 221346552 /nfs/dbraw/zinc/34/65/52/221346552.db2.gz KPUUIPNXCWFONU-UHFFFAOYSA-N -1 3 375.406 2.055 50 0 GEAAHM CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ncccc3[O-])cc2)CC1 ZINC000015940417 221352878 /nfs/dbraw/zinc/35/28/78/221352878.db2.gz QRNMZGKJCPPOBE-UHFFFAOYSA-N -1 3 375.450 2.460 50 0 GEAAHM Cc1cc([N-]C(=O)c2cc(S(=O)(=O)NCc3cccnc3)cs2)no1 ZINC000016651343 221368384 /nfs/dbraw/zinc/36/83/84/221368384.db2.gz JOBGCYXIFJSIAA-UHFFFAOYSA-N -1 3 378.435 2.170 50 0 GEAAHM Cc1ccc([O-])c(C(=O)NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000040119671 132397528 /nfs/dbraw/zinc/39/75/28/132397528.db2.gz KGQUTRPFLHIDNZ-UHFFFAOYSA-N -1 3 385.439 2.308 50 0 GEAAHM O=C([O-])[C@@H](CC(=O)Nc1ccc(F)cc1)CN1CCN(c2ccccn2)CC1 ZINC000061721264 136156059 /nfs/dbraw/zinc/15/60/59/136156059.db2.gz DSGUYJJYHOFCSE-HNNXBMFYSA-N -1 3 386.427 2.072 50 0 GEAAHM O=C(c1ncccc1[O-])N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000072159156 136167247 /nfs/dbraw/zinc/16/72/47/136167247.db2.gz ODDBTPHOJWKXRO-SFHVURJKSA-N -1 3 384.455 2.353 50 0 GEAAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)Cc1ccc(N2CCCC2=O)cc1 ZINC000024889766 221621360 /nfs/dbraw/zinc/62/13/60/221621360.db2.gz ZNPGFZUETUEZDL-UHFFFAOYSA-N -1 3 387.461 2.366 50 0 GEAAHM COc1ccc(F)cc1S(=O)(=O)[N-]Cc1cccc(N2CCCC2=O)c1 ZINC000065362561 222125319 /nfs/dbraw/zinc/12/53/19/222125319.db2.gz SRLZMUOBAZZAGM-UHFFFAOYSA-N -1 3 378.425 2.440 50 0 GEAAHM Cc1ncc(CO)c(CN2CCn3nc(C(=O)Nc4ccccc4)cc3C2)c1[O-] ZINC000065409177 222128758 /nfs/dbraw/zinc/12/87/58/222128758.db2.gz RZSSSDJOJBUTNQ-UHFFFAOYSA-N -1 3 393.447 2.053 50 0 GEAAHM COc1ccc(O)c(C(=O)N2CCc3c(nc(-c4ccccc4)[n-]c3=O)C2)c1 ZINC000071747592 222189753 /nfs/dbraw/zinc/18/97/53/222189753.db2.gz AFDQVODCEZEDDP-UHFFFAOYSA-N -1 3 377.400 2.350 50 0 GEAAHM O=S(=O)([N-]C[C@H](O)Cc1ccccc1)c1ccc(Br)s1 ZINC000070639361 222176930 /nfs/dbraw/zinc/17/69/30/222176930.db2.gz QSLSNUDNGIFAQK-LLVKDONJSA-N -1 3 376.297 2.393 50 0 GEAAHM Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCc2c(=O)[n-]c(C)nc2C1 ZINC000071774783 222198238 /nfs/dbraw/zinc/19/82/38/222198238.db2.gz ZDTQXOLZQDLRBV-UHFFFAOYSA-N -1 3 381.411 2.218 50 0 GEAAHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1F ZINC000071938478 222199591 /nfs/dbraw/zinc/19/95/91/222199591.db2.gz IXRUIYNYCDXUJI-UHFFFAOYSA-N -1 3 378.834 2.236 50 0 GEAAHM O=C(c1cn2ccsc2n1)N1CCc2c(=O)[n-]c(-c3ccccc3)nc2C1 ZINC000072151447 222213665 /nfs/dbraw/zinc/21/36/65/222213665.db2.gz RYOATMXOYMCXCH-UHFFFAOYSA-N -1 3 377.429 2.345 50 0 GEAAHM O=C(c1cccc([O-])c1)N1CCN(Cc2ccc(F)c(F)c2)[C@H](CCO)C1 ZINC000072475564 222265508 /nfs/dbraw/zinc/26/55/08/222265508.db2.gz WTWVBFOPVXUOHR-MRXNPFEDSA-N -1 3 376.403 2.379 50 0 GEAAHM COc1cccc2c1OC[C@]1(C(=O)[O-])CN(Cc3[nH]cc(C)c(=O)c3C)C[C@H]21 ZINC000095502390 222336235 /nfs/dbraw/zinc/33/62/35/222336235.db2.gz CWRRKZFMFSCSRO-QVKFZJNVSA-N -1 3 384.432 2.063 50 0 GEAAHM CCOC(=O)N=c1[n-]c2c(s1)CN(S(=O)(=O)c1c(C)noc1C)CC2 ZINC000077196362 222276164 /nfs/dbraw/zinc/27/61/64/222276164.db2.gz QGSOGFNSSWXNIV-UHFFFAOYSA-N -1 3 386.455 2.063 50 0 GEAAHM O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC[C@H](c2cc(=O)[n-]cn2)C1 ZINC000096150847 222391260 /nfs/dbraw/zinc/39/12/60/222391260.db2.gz AAPHZLHKHQSTQE-HNNXBMFYSA-N -1 3 376.416 2.145 50 0 GEAAHM CCOC(=O)c1c(CC)[nH]nc1S(=O)(=O)[N-]Cc1ccc(F)cc1Cl ZINC000048991542 570255688 /nfs/dbraw/zinc/25/56/88/570255688.db2.gz INLMATYGXMLNDW-UHFFFAOYSA-N -1 3 389.836 2.420 50 0 GEAAHM O=S(=O)([N-]Cc1ccccc1CN1CCOCC1)c1cc(F)cc(F)c1 ZINC000022841125 570330962 /nfs/dbraw/zinc/33/09/62/570330962.db2.gz BSKQQYXVWVDVEA-UHFFFAOYSA-N -1 3 382.432 2.276 50 0 GEAAHM O=C(NC1CCN(c2cc3c(nn2)CCCC3)CC1)c1ccc2n[n-]nc2c1 ZINC000575616747 570358832 /nfs/dbraw/zinc/35/88/32/570358832.db2.gz MKNPFIUVOLWAHN-UHFFFAOYSA-N -1 3 377.452 2.026 50 0 GEAAHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1nccnc1-c1ccco1 ZINC000575618215 570362727 /nfs/dbraw/zinc/36/27/27/570362727.db2.gz FOXWNPBLXZAFER-UHFFFAOYSA-N -1 3 379.419 2.063 50 0 GEAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](OCCO)c1ccsc1 ZINC000575618646 570364543 /nfs/dbraw/zinc/36/45/43/570364543.db2.gz APBWRWMMDXKWIY-CQSZACIVSA-N -1 3 391.898 2.439 50 0 GEAAHM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(N2CCN(C)CC2)cc1 ZINC000004297047 570366168 /nfs/dbraw/zinc/36/61/68/570366168.db2.gz YRCOILIXIUMPFH-UHFFFAOYSA-N -1 3 395.506 2.087 50 0 GEAAHM COc1ccccc1-c1cn2nnc(C(=O)[N-]c3nc(C)cs3)c2c(=O)[nH]1 ZINC000090591888 570381425 /nfs/dbraw/zinc/38/14/25/570381425.db2.gz GZEYYTKQHGXNMR-UHFFFAOYSA-N -1 3 382.405 2.110 50 0 GEAAHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)c(F)cc2F)cc1 ZINC000024428489 570383414 /nfs/dbraw/zinc/38/34/14/570383414.db2.gz ZXTMTPGMYQJJQI-UHFFFAOYSA-N -1 3 385.344 2.339 50 0 GEAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(S(C)(=O)=O)CCC3)cc1 ZINC000005136854 570423545 /nfs/dbraw/zinc/42/35/45/570423545.db2.gz DLKPYSMNPQUPCG-UHFFFAOYSA-N -1 3 396.490 2.208 50 0 GEAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000028198709 570452238 /nfs/dbraw/zinc/45/22/38/570452238.db2.gz WKRHUVQFSRTFOY-JSGCOSHPSA-N -1 3 379.482 2.096 50 0 GEAAHM CSCC[C@@H](CO)NC(=O)CCc1c(C)c2ccc([O-])c(C)c2oc1=O ZINC000006624667 570508521 /nfs/dbraw/zinc/50/85/21/570508521.db2.gz JYPODABMIAXLHD-ZDUSSCGKSA-N -1 3 379.478 2.278 50 0 GEAAHM CCOC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)NCc1ccc(Cl)cc1 ZINC000005251698 570529032 /nfs/dbraw/zinc/52/90/32/570529032.db2.gz AOPPXYRSMSPFEN-UHFFFAOYSA-N -1 3 395.868 2.317 50 0 GEAAHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H]3COc4ccccc43)cc(C(C)C)nc21 ZINC000225521843 570583013 /nfs/dbraw/zinc/58/30/13/570583013.db2.gz XXNCIINKWALCLY-HNNXBMFYSA-N -1 3 394.431 2.092 50 0 GEAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1N(C)S(C)(=O)=O ZINC000005554060 570633130 /nfs/dbraw/zinc/63/31/30/570633130.db2.gz FSAHYPHZHKQYDK-UHFFFAOYSA-N -1 3 388.442 2.031 50 0 GEAAHM C[C@@H]1C(=O)N(C)CCN1Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[n-]2)cc1 ZINC000048155869 570655687 /nfs/dbraw/zinc/65/56/87/570655687.db2.gz NJPGXYRUQSSVAG-OAHLLOKOSA-N -1 3 389.459 2.161 50 0 GEAAHM CCOC([O-])=NC(=O)COC(=O)c1nccnc1-c1nc2ccccc2s1 ZINC000012795247 570715754 /nfs/dbraw/zinc/71/57/54/570715754.db2.gz SMGPCUIEPMYUHM-UHFFFAOYSA-N -1 3 386.389 2.183 50 0 GEAAHM CCOC(=O)[N-]C(=O)COC(=O)c1nccnc1-c1nc2ccccc2s1 ZINC000012795247 570715755 /nfs/dbraw/zinc/71/57/55/570715755.db2.gz SMGPCUIEPMYUHM-UHFFFAOYSA-N -1 3 386.389 2.183 50 0 GEAAHM NC(=O)c1c(NC(=O)COC(=O)c2ccc(Cl)cc2[O-])sc2c1CCC2 ZINC000007199551 570814209 /nfs/dbraw/zinc/81/42/09/570814209.db2.gz ALAHFRGAIFHDOF-UHFFFAOYSA-N -1 3 394.836 2.490 50 0 GEAAHM COc1ccc(F)cc1S(=O)(=O)[N-]Cc1nc(-c2cc(C3CC3)on2)no1 ZINC000238958737 570816387 /nfs/dbraw/zinc/81/63/87/570816387.db2.gz YFTFNCRYLIEIMN-UHFFFAOYSA-N -1 3 394.384 2.228 50 0 GEAAHM CCc1ccc([C@@H](C)NC(=O)CSc2[n-]c(=O)nc(C)c2C(=O)OC)cc1 ZINC000031617995 570818488 /nfs/dbraw/zinc/81/84/88/570818488.db2.gz ZOOPUZWHIGSQEY-LLVKDONJSA-N -1 3 389.477 2.397 50 0 GEAAHM Cc1nc(C)c(CCC(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)c(=O)[n-]1 ZINC000032809500 570831968 /nfs/dbraw/zinc/83/19/68/570831968.db2.gz AXJPGJYIBISBBY-KRWDZBQOSA-N -1 3 384.436 2.076 50 0 GEAAHM Cc1cc(=NC(=O)c2nc(C)sc2C(C)C)n([C@H]2CCS(=O)(=O)C2)[n-]1 ZINC000334159148 570876254 /nfs/dbraw/zinc/87/62/54/570876254.db2.gz GQSBVUJBRJGZSQ-LBPRGKRZSA-N -1 3 382.511 2.114 50 0 GEAAHM COc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)C[C@@H]2CCO)c(F)c1 ZINC000072476885 570882317 /nfs/dbraw/zinc/88/23/17/570882317.db2.gz ARRZQMWMEYDEIZ-KRWDZBQOSA-N -1 3 388.439 2.249 50 0 GEAAHM COC(=O)c1ccc(-c2ccc(C(=O)N(C)C[C@@H]3COCCO3)cc2)c([O-])c1 ZINC000534592090 570906456 /nfs/dbraw/zinc/90/64/56/570906456.db2.gz WGXGAPZIVNTJDV-QGZVFWFLSA-N -1 3 385.416 2.333 50 0 GEAAHM Cc1ccc(/C=C/S(=O)(=O)[N-]CC(=O)OCc2nc(CC(C)C)no2)cc1 ZINC000022525751 570906547 /nfs/dbraw/zinc/90/65/47/570906547.db2.gz ZXIOCDBJDBRRKG-CMDGGOBGSA-N -1 3 393.465 2.210 50 0 GEAAHM Cc1ccc(/C=C\S(=O)(=O)[N-]CC(=O)OCc2nc(CC(C)C)no2)cc1 ZINC000098003932 570913947 /nfs/dbraw/zinc/91/39/47/570913947.db2.gz ZXIOCDBJDBRRKG-HJWRWDBZSA-N -1 3 393.465 2.210 50 0 GEAAHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(I)cc1 ZINC000002877038 570934273 /nfs/dbraw/zinc/93/42/73/570934273.db2.gz PZPHBFGKGZYYBC-UHFFFAOYSA-N -1 3 392.152 2.427 50 0 GEAAHM CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)[N-]C1=NCCS1 ZINC000004736037 570950268 /nfs/dbraw/zinc/95/02/68/570950268.db2.gz XOFVPBNWIQVSFB-UHFFFAOYSA-N -1 3 391.522 2.209 50 0 GEAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000170643656 570968928 /nfs/dbraw/zinc/96/89/28/570968928.db2.gz NGGQYUZEVACPOA-FFSVYQOJSA-N -1 3 377.466 2.178 50 0 GEAAHM COc1cccc(-c2n[nH]cc2C(=O)N2CCC(c3cc(=O)[n-]c(C)n3)CC2)c1 ZINC000091535198 571012526 /nfs/dbraw/zinc/01/25/26/571012526.db2.gz AZJQUWFETKROCF-UHFFFAOYSA-N -1 3 393.447 2.497 50 0 GEAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(F)cc1)CC(=O)N2 ZINC000046074073 571019239 /nfs/dbraw/zinc/01/92/39/571019239.db2.gz XQYXNANJRCGLFY-NSHDSACASA-N -1 3 376.413 2.476 50 0 GEAAHM C[C@H](CNC(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[n-]c1=O)N1CCCC1 ZINC000091707455 571026871 /nfs/dbraw/zinc/02/68/71/571026871.db2.gz WEIPTHLGYLQIGC-XSXQVXRUSA-N -1 3 384.524 2.452 50 0 GEAAHM Cn1nc(C[N-]S(=O)(=O)Cc2cc(F)ccc2F)cc1-c1ccccn1 ZINC000090607178 230958631 /nfs/dbraw/zinc/95/86/31/230958631.db2.gz NHEKFALNQUUOAU-UHFFFAOYSA-N -1 3 378.404 2.380 50 0 GEAAHM O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)NC1CCCCC1 ZINC000002465355 531502944 /nfs/dbraw/zinc/50/29/44/531502944.db2.gz AKMPSDMZSJSRBM-UHFFFAOYSA-N -1 3 381.317 2.238 50 0 GEAAHM COC(=O)[C@]([O-])(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000002768731 531505394 /nfs/dbraw/zinc/50/53/94/531505394.db2.gz SPCHZQGGRWCBCJ-LLVKDONJSA-N -1 3 375.221 2.380 50 0 GEAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)[C@@H](C)Cn2cc(Br)cn2)N1 ZINC000006394263 531526783 /nfs/dbraw/zinc/52/67/83/531526783.db2.gz JFMBHUSBMWUNAN-WRWORJQWSA-N -1 3 383.168 2.141 50 0 GEAAHM CCOc1cc(C(=S)N2CCOCC2)cc(I)c1[O-] ZINC000006958940 531534314 /nfs/dbraw/zinc/53/43/14/531534314.db2.gz BESNUJQDCAICHW-UHFFFAOYSA-N -1 3 393.246 2.403 50 0 GEAAHM CCOc1cc(Cl)c(S(=O)(=O)[N-]CCN2CCOCC2)cc1Cl ZINC000019618947 531577401 /nfs/dbraw/zinc/57/74/01/531577401.db2.gz NJYCZSXALFACQO-UHFFFAOYSA-N -1 3 383.297 2.003 50 0 GEAAHM CN1CCN([C@H](C[N-]S(=O)(=O)c2ccccc2F)c2ccsc2)CC1 ZINC000022767112 531591430 /nfs/dbraw/zinc/59/14/30/531591430.db2.gz YAHNIODIHWWXRG-MRXNPFEDSA-N -1 3 383.514 2.154 50 0 GEAAHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCc2[nH]c3ccccc3c2C1 ZINC000024653726 531606945 /nfs/dbraw/zinc/60/69/45/531606945.db2.gz FVRXCIUJYCUDLB-UHFFFAOYSA-N -1 3 375.475 2.093 50 0 GEAAHM Cc1ccc(-n2nnnc2C[N-]S(=O)(=O)c2ccccc2Cl)cc1C ZINC000009571101 212198768 /nfs/dbraw/zinc/19/87/68/212198768.db2.gz GWRGTPFKNJPLTB-UHFFFAOYSA-N -1 3 377.857 2.411 50 0 GEAAHM C[C@@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@H](C)N1 ZINC000000538362 212164673 /nfs/dbraw/zinc/16/46/73/212164673.db2.gz DZZWHBIBMUVIIW-DTORHVGOSA-N -1 3 392.406 2.082 50 0 world GEAAHM COC(=O)c1sccc1S(=O)(=O)[N-]CCn1cc(-c2ccccc2)cn1 ZINC000240067726 212133395 /nfs/dbraw/zinc/13/33/95/212133395.db2.gz SAAWAYBSKHUHTI-UHFFFAOYSA-N -1 3 391.474 2.377 50 0 GEAAHM CNC(=O)c1ccc(NC(=O)[C@@H]([N-]S(=O)(=O)c2cccs2)C(C)C)cc1 ZINC000008424081 221041080 /nfs/dbraw/zinc/04/10/80/221041080.db2.gz XTJDCIZTMUAYMD-HNNXBMFYSA-N -1 3 395.506 2.049 50 0 GEAAHM COC(=O)c1ccc(C)c(NC(=O)CC[N-]S(=O)(=O)c2cccs2)c1 ZINC000009549563 221085127 /nfs/dbraw/zinc/08/51/27/221085127.db2.gz WKRBXRCEDPSLFV-UHFFFAOYSA-N -1 3 382.463 2.150 50 0 GEAAHM CCOc1ccc(-n2nnnc2C[N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000009571143 221085206 /nfs/dbraw/zinc/08/52/06/221085206.db2.gz SQFCEQRBRUDGDO-UHFFFAOYSA-N -1 3 393.856 2.193 50 0 GEAAHM CCOC(=O)[C@@H]1[C@H](c2ccc(OC(F)F)cc2)NC(=O)[N-][C@@]1(O)C(F)(F)F ZINC000011859074 221133550 /nfs/dbraw/zinc/13/35/50/221133550.db2.gz BQZLQFWSSMGXOK-BHDSKKPTSA-N -1 3 398.284 2.072 50 0 GEAAHM CCCn1c(=O)[n-]nc1SCC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000011650874 221118885 /nfs/dbraw/zinc/11/88/85/221118885.db2.gz OPUJQFCAVFYDDP-UHFFFAOYSA-N -1 3 375.454 2.017 50 0 GEAAHM C[C@H](Oc1ccccc1)C(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000012321821 221180949 /nfs/dbraw/zinc/18/09/49/221180949.db2.gz MUTPXWQRFCWUJG-AWEZNQCLSA-N -1 3 389.415 2.193 50 0 GEAAHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C)OCO3)cc1 ZINC000012446803 221196955 /nfs/dbraw/zinc/19/69/55/221196955.db2.gz RVZNMFKVWOYXFA-UHFFFAOYSA-N -1 3 379.390 2.076 50 0 GEAAHM CC(C)CN(Cn1nc(-c2ccccc2)[n-]c1=S)[C@@H]1CCS(=O)(=O)C1 ZINC000012972848 221251127 /nfs/dbraw/zinc/25/11/27/221251127.db2.gz ADJNDRFTNHAGKI-OAHLLOKOSA-N -1 3 380.539 2.336 50 0 GEAAHM O=c1ccc(-c2cccs2)nn1CCC[N-]S(=O)(=O)c1ccccc1F ZINC000013799941 221289340 /nfs/dbraw/zinc/28/93/40/221289340.db2.gz IBPWMJUEMDPXPV-UHFFFAOYSA-N -1 3 393.465 2.480 50 0 GEAAHM C[C@H](OC(=O)c1cccc([N-]S(C)(=O)=O)c1)C(=O)Nc1cccnc1Cl ZINC000014672018 221314791 /nfs/dbraw/zinc/31/47/91/221314791.db2.gz ZZOXUJKKNSORPN-JTQLQIEISA-N -1 3 397.840 2.291 50 0 GEAAHM Cc1nnc(N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)c2ccccc12 ZINC000095364300 136178228 /nfs/dbraw/zinc/17/82/28/136178228.db2.gz WCXNMPZNHSHZNF-XLIONFOSSA-N -1 3 397.523 2.245 50 0 GEAAHM CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1nc2c(cnn2C)c(=O)[n-]1 ZINC000040155755 221914680 /nfs/dbraw/zinc/91/46/80/221914680.db2.gz RFKAMBPZHNWFIH-UHFFFAOYSA-N -1 3 395.250 2.446 50 0 GEAAHM Cc1nnc(-c2csc(S(=O)(=O)[N-]Cc3ccc4c(c3)OCO4)c2)o1 ZINC000065098543 222100849 /nfs/dbraw/zinc/10/08/49/222100849.db2.gz IMGZJJAXJCESHV-UHFFFAOYSA-N -1 3 379.419 2.314 50 0 GEAAHM Cc1cccc(-n2nc(CCc3ccccc3)nc2C[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000065530172 222132756 /nfs/dbraw/zinc/13/27/56/222132756.db2.gz BWCXAYHIQAXTHM-KRWDZBQOSA-N -1 3 375.432 2.111 50 0 GEAAHM CN(CCc1ccccn1)c1ncccc1CNC(=O)c1c([O-])cccc1O ZINC000067677119 222153945 /nfs/dbraw/zinc/15/39/45/222153945.db2.gz DJKUZNLLLPRHRX-UHFFFAOYSA-N -1 3 378.432 2.497 50 0 GEAAHM O=C(c1c([O-])cccc1O)N1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 ZINC000067843405 222163378 /nfs/dbraw/zinc/16/33/78/222163378.db2.gz YOCYWTOVIIHEAP-UHFFFAOYSA-N -1 3 379.372 2.415 50 0 GEAAHM CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)Nc1cc(F)ccc1[O-])CO2 ZINC000071751986 222190888 /nfs/dbraw/zinc/19/08/88/222190888.db2.gz HSBJDWVBLASPLZ-AWEZNQCLSA-N -1 3 387.411 2.459 50 0 GEAAHM O=C(c1ccncc1)N1CCC(C[N-]S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000070904053 222176558 /nfs/dbraw/zinc/17/65/58/222176558.db2.gz POBXCKMLALZZDB-UHFFFAOYSA-N -1 3 395.431 2.191 50 0 GEAAHM CCNC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1OC ZINC000071031867 222179017 /nfs/dbraw/zinc/17/90/17/222179017.db2.gz KHKDONQMXYYOIP-MHWRWJLKSA-N -1 3 380.400 2.021 50 0 GEAAHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1-n1cnnn1 ZINC000072301083 222219868 /nfs/dbraw/zinc/21/98/68/222219868.db2.gz NNGNFAFWCUCQTC-UHFFFAOYSA-N -1 3 385.449 2.351 50 0 GEAAHM CN(CCC[C@H]1CCCO1)Cc1cc2n(n1)CCN(C(=O)c1ncccc1[O-])C2 ZINC000072434327 222261074 /nfs/dbraw/zinc/26/10/74/222261074.db2.gz ALICFNQFKPIBGK-SFHVURJKSA-N -1 3 399.495 2.031 50 0 GEAAHM COCCN1CCC(CN(Cc2ccncc2)C(=O)c2ncccc2[O-])CC1 ZINC000095510767 222342721 /nfs/dbraw/zinc/34/27/21/222342721.db2.gz IPSVVAPELUOOQJ-UHFFFAOYSA-N -1 3 384.480 2.183 50 0 GEAAHM CCOC(=O)[C@@H]1CCc2sc([N-]C(=O)c3nnn(-c4ccc(C)cc4)n3)nc21 ZINC000077100300 222272889 /nfs/dbraw/zinc/27/28/89/222272889.db2.gz KRJJPSRWTWRQHY-GFCCVEGCSA-N -1 3 398.448 2.272 50 0 GEAAHM COC(=O)c1ccccc1CS(=O)(=O)[N-]c1cccc(-c2nncn2C)c1 ZINC000084334568 222313715 /nfs/dbraw/zinc/31/37/15/222313715.db2.gz HAGJLLSULVXYQR-UHFFFAOYSA-N -1 3 386.433 2.211 50 0 GEAAHM CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cc(C)ccc1[O-])CC2 ZINC000095525117 222348879 /nfs/dbraw/zinc/34/88/79/222348879.db2.gz BSGXIMJIDOMLFK-UHFFFAOYSA-N -1 3 382.464 2.350 50 0 GEAAHM COCc1cc(=O)c([O-])c([C@H](CC(=O)OC)c2ccc(OC)c(OC)c2)o1 ZINC000096115553 222383042 /nfs/dbraw/zinc/38/30/42/222383042.db2.gz XTOQNXVUXWQEMX-CYBMUJFWSA-N -1 3 378.377 2.204 50 0 GEAAHM COc1ccc(/C=C/CN2C[C@@H]3CN(c4ncccn4)C[C@]3(C(=O)[O-])C2)cc1 ZINC000096137743 222386485 /nfs/dbraw/zinc/38/64/85/222386485.db2.gz DIVKRDGQRVIIRX-VHRLRWAMSA-N -1 3 380.448 2.021 50 0 GEAAHM Cc1nc(C)c(CC(=O)N2CCc3[nH]c(-c4cccc(F)c4)nc3C2)c(=O)[n-]1 ZINC000096160793 222393263 /nfs/dbraw/zinc/39/32/63/222393263.db2.gz GXUJLLIVPQVAIU-UHFFFAOYSA-N -1 3 381.411 2.043 50 0 GEAAHM Cc1nc(C)c(CC(=O)N2CCc3nc(-c4cccc(F)c4)[nH]c3C2)c(=O)[n-]1 ZINC000096160793 222393268 /nfs/dbraw/zinc/39/32/68/222393268.db2.gz GXUJLLIVPQVAIU-UHFFFAOYSA-N -1 3 381.411 2.043 50 0 GEAAHM Cc1cc(C)n(Cc2ccc(NC(=O)N3Cc4nc(C)[n-]c(=O)c4C3)cc2)n1 ZINC000097784729 222450203 /nfs/dbraw/zinc/45/02/03/222450203.db2.gz VMMJKSDTXWQCRL-UHFFFAOYSA-N -1 3 378.436 2.488 50 0 GEAAHM Cc1nc2sc([C@H](c3ccccc3F)N3CCC(C(N)=O)CC3)c([O-])n2n1 ZINC000022627534 570228599 /nfs/dbraw/zinc/22/85/99/570228599.db2.gz VIUXHPXVMGOFHH-AWEZNQCLSA-N -1 3 389.456 2.231 50 0 GEAAHM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccsc3)o2)cc1 ZINC000049029126 570260468 /nfs/dbraw/zinc/26/04/68/570260468.db2.gz LRTYJNDRMJTLBC-UHFFFAOYSA-N -1 3 378.435 2.301 50 0 GEAAHM COc1ccccc1C1(C[N-]S(=O)(=O)c2c(C)noc2C)CCOCC1 ZINC000049411714 570266848 /nfs/dbraw/zinc/26/68/48/570266848.db2.gz WAMXBSJLNMGBCC-UHFFFAOYSA-N -1 3 380.466 2.327 50 0 GEAAHM O=C(Nc1ccccc1[O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000012914007 570292003 /nfs/dbraw/zinc/29/20/03/570292003.db2.gz UHOVWEIOGJFCTA-AWEZNQCLSA-N -1 3 376.434 2.102 50 0 GEAAHM NC(=O)C1CCN(C(=O)CSc2nnc([N-]c3ccccc3F)s2)CC1 ZINC000022659696 570324256 /nfs/dbraw/zinc/32/42/56/570324256.db2.gz NRNDAUTUMUFYEA-UHFFFAOYSA-N -1 3 395.485 2.237 50 0 GEAAHM COc1cc(C(=O)[N-]N2C(=O)NC3(CCC(C)CC3)C2=O)cc(OC)c1C ZINC000023557096 570326136 /nfs/dbraw/zinc/32/61/36/570326136.db2.gz GFRPQPCPWAJIQT-UHFFFAOYSA-N -1 3 375.425 2.158 50 0 GEAAHM COC[C@](O)(C[N-]S(=O)(=O)c1cc(Cl)ccc1OC)c1ccccc1 ZINC000575606625 570329736 /nfs/dbraw/zinc/32/97/36/570329736.db2.gz IMCLACWVQDGUJT-QGZVFWFLSA-N -1 3 385.869 2.161 50 0 GEAAHM O=S(=O)(CCC(F)(F)F)[N-]C[C@@](O)(c1ccccc1)C1CCOCC1 ZINC000575610789 570334603 /nfs/dbraw/zinc/33/46/03/570334603.db2.gz ANVAAPCSGXJWLA-OAHLLOKOSA-N -1 3 381.416 2.173 50 0 GEAAHM O=C(Cn1[n-]c(=O)c2ccccc2c1=O)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000023383318 570359831 /nfs/dbraw/zinc/35/98/31/570359831.db2.gz HRXJGIYKBMWYNK-HXUWFJFHSA-N -1 3 393.443 2.074 50 0 GEAAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000024887503 570397531 /nfs/dbraw/zinc/39/75/31/570397531.db2.gz KSKODWOGUWLRHV-LBPRGKRZSA-N -1 3 391.424 2.189 50 0 GEAAHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(-n3ccnc3)nc2)ccc1Cl ZINC000028094604 570451101 /nfs/dbraw/zinc/45/11/01/570451101.db2.gz ZOWQSQQNFHRGLQ-UHFFFAOYSA-N -1 3 391.840 2.081 50 0 GEAAHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)OC)cc(-c3ccc(OC)cc3F)nc21 ZINC000006549868 570472983 /nfs/dbraw/zinc/47/29/83/570472983.db2.gz DZCFPXGTLCQJNE-UHFFFAOYSA-N -1 3 387.367 2.096 50 0 GEAAHM CCCCCC(=O)N1CCN(c2nc(CN3CCC(C)CC3)cc(=O)[n-]2)CC1 ZINC000035926358 570479542 /nfs/dbraw/zinc/47/95/42/570479542.db2.gz FHLFMHIHFSCIRL-UHFFFAOYSA-N -1 3 389.544 2.231 50 0 GEAAHM Cc1ccc([O-])c(C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000024216602 570479862 /nfs/dbraw/zinc/47/98/62/570479862.db2.gz LVIZUFHONDMFCN-UHFFFAOYSA-N -1 3 392.452 2.377 50 0 GEAAHM COC(=O)c1csc(N2NC3=C(COc4ccccc43)[C@]2([O-])C(F)(F)F)n1 ZINC000005275042 570548002 /nfs/dbraw/zinc/54/80/02/570548002.db2.gz HCNVRRYNDYLIDJ-VFZGTOFNSA-N -1 3 399.350 2.414 50 0 GEAAHM COc1ccccc1-c1csc2[n-]c(CN3CCN(C(C)=O)CC3)nc(=O)c12 ZINC000036204176 570568463 /nfs/dbraw/zinc/56/84/63/570568463.db2.gz QWNUXSRINCPGSA-UHFFFAOYSA-N -1 3 398.488 2.324 50 0 GEAAHM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(OC)cc3)n2)cc1 ZINC000006755810 570572731 /nfs/dbraw/zinc/57/27/31/570572731.db2.gz NJLFIPGLNCKBEC-UHFFFAOYSA-N -1 3 375.406 2.232 50 0 GEAAHM COc1cc(OC)cc([C@H]2[C@@H](S(=O)(=O)[N-]C3CCCCC3)CON2C)c1 ZINC000169681309 570601346 /nfs/dbraw/zinc/60/13/46/570601346.db2.gz BVIWHDWDIXLYFS-ROUUACIJSA-N -1 3 384.498 2.243 50 0 GEAAHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc(Br)s1)Cc1ccco1 ZINC000206619921 570604878 /nfs/dbraw/zinc/60/48/78/570604878.db2.gz QMQNAHULAPOMIF-LBPRGKRZSA-N -1 3 380.285 2.376 50 0 GEAAHM O=C(N[C@H]1C[C@@H](c2cc(=O)[n-]c(C3CC3)n2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000253535089 570733618 /nfs/dbraw/zinc/73/36/18/570733618.db2.gz HFGYTLBFJSCYSW-BETUJISGSA-N -1 3 380.404 2.067 50 0 GEAAHM COc1ccc(C(=O)O[C@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)c(O)c1 ZINC000007026489 570742388 /nfs/dbraw/zinc/74/23/88/570742388.db2.gz ZMDBQDPSWQAJEL-LLVKDONJSA-N -1 3 393.417 2.201 50 0 GEAAHM O=S(=O)([N-]c1ccc(-n2cnnn2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000007051852 570771503 /nfs/dbraw/zinc/77/15/03/570771503.db2.gz ZWWJGUCMKPUXMD-UHFFFAOYSA-N -1 3 385.327 2.362 50 0 GEAAHM COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000032747402 570793433 /nfs/dbraw/zinc/79/34/33/570793433.db2.gz ATWVMRUXVDVHST-QMMMGPOBSA-N -1 3 397.403 2.113 50 0 GEAAHM COC(=O)c1sc2[n-]c(CSc3nnc4ccccn43)nc(=O)c2c1C ZINC000005902628 570802635 /nfs/dbraw/zinc/80/26/35/570802635.db2.gz AUBMGIWQHWYEQF-UHFFFAOYSA-N -1 3 387.446 2.415 50 0 GEAAHM O=C1COc2ccc(Cl)cc2CN1CC[N-]S(=O)(=O)c1cccs1 ZINC000238871454 570808880 /nfs/dbraw/zinc/80/88/80/570808880.db2.gz MZXKSIOUXPYEQV-UHFFFAOYSA-N -1 3 386.882 2.101 50 0 GEAAHM Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc([O-])cc2)c(=O)n(-c2ccccc2)n1C ZINC000005693686 570813227 /nfs/dbraw/zinc/81/32/27/570813227.db2.gz VBPWXRYZOUUSGW-AWEZNQCLSA-N -1 3 395.415 2.374 50 0 GEAAHM COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000031618205 570818461 /nfs/dbraw/zinc/81/84/61/570818461.db2.gz CYCRQMKCGKWHGD-CQSZACIVSA-N -1 3 387.461 2.151 50 0 GEAAHM COC(=O)c1ccccc1-n1c([O-])c2onc(C=Cc3ccccc3)c2c1O ZINC000101509781 570826036 /nfs/dbraw/zinc/82/60/36/570826036.db2.gz RLPVGECMZHGKGW-HGFSOSMJSA-N -1 3 376.368 2.431 50 0 GEAAHM COc1cc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C3CC3)c2)ccn1 ZINC000012522092 570828827 /nfs/dbraw/zinc/82/88/27/570828827.db2.gz QUTRNPMWUJABDI-UHFFFAOYSA-N -1 3 395.868 2.114 50 0 GEAAHM Cc1c([O-])nc(CCNC(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)[nH]c1=O ZINC000101825098 570835803 /nfs/dbraw/zinc/83/58/03/570835803.db2.gz ANWVEAUKBSWQJH-CHWSQXEVSA-N -1 3 381.354 2.006 50 0 GEAAHM CC(C)(C)NC(=O)N1CCC(C[N-]S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000043955796 570844941 /nfs/dbraw/zinc/84/49/41/570844941.db2.gz CYKGWZMHHGGJDY-UHFFFAOYSA-N -1 3 389.468 2.463 50 0 GEAAHM Cc1noc(C)c1S(=O)(=O)[N-]CC1CCN(C(=O)/C=C/c2ccco2)CC1 ZINC000043960435 570844969 /nfs/dbraw/zinc/84/49/69/570844969.db2.gz MIGJZPXPKIAADQ-AATRIKPKSA-N -1 3 393.465 2.115 50 0 GEAAHM CC(C)(C)OC[C@H](O)CN1CCc2nc(Cc3ccccc3F)[n-]c(=O)c2C1 ZINC000004720301 570859695 /nfs/dbraw/zinc/85/96/95/570859695.db2.gz LYGPEQMKZQTBTK-OAHLLOKOSA-N -1 3 389.471 2.034 50 0 GEAAHM O=S(=O)([N-]CCn1c2ncccc2nc1C(F)(F)F)c1cccs1 ZINC000033252087 570860482 /nfs/dbraw/zinc/86/04/82/570860482.db2.gz AZXLRQFUPKTTEU-UHFFFAOYSA-N -1 3 376.385 2.490 50 0 GEAAHM O=C(NC[C@H]1CCCO1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000004728135 570883299 /nfs/dbraw/zinc/88/32/99/570883299.db2.gz VTDRRBILPKDJIF-SNVBAGLBSA-N -1 3 393.292 2.343 50 0 GEAAHM O=C(CC[C@H]1NC(=O)[N-]C1=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000032906586 570905064 /nfs/dbraw/zinc/90/50/64/570905064.db2.gz IPDIRIUELYDFFW-AARCPENSSA-N -1 3 389.455 2.388 50 0 GEAAHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000006024059 570921574 /nfs/dbraw/zinc/92/15/74/570921574.db2.gz BONUDCUOCAHCOX-UHFFFAOYSA-N -1 3 390.461 2.033 50 0 GEAAHM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1ccc(NS(C)(=O)=O)cc1 ZINC000032927720 570939018 /nfs/dbraw/zinc/93/90/18/570939018.db2.gz NZFJDOGTVSSWHY-JTQLQIEISA-N -1 3 390.433 2.376 50 0 GEAAHM O=S(=O)([N-]C[C@H](c1ccccc1)N1CCOCC1)c1cc(F)cc(F)c1 ZINC000044782935 570977399 /nfs/dbraw/zinc/97/73/99/570977399.db2.gz IHRQHUUDHCUWJA-GOSISDBHSA-N -1 3 382.432 2.317 50 0 GEAAHM CN1CCN([C@H]2CCN(C(=O)c3ccc4[nH]ccc4c3)C[C@H]2CCC(=O)[O-])CC1 ZINC000091452683 571009458 /nfs/dbraw/zinc/00/94/58/571009458.db2.gz KHNQENVLYGDDQF-QUCCMNQESA-N -1 3 398.507 2.111 50 0 GEAAHM Cc1ccccc1NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCC(=O)[O-])C1 ZINC000091604293 571017945 /nfs/dbraw/zinc/01/79/45/571017945.db2.gz NARFXQJQVJMIBQ-MJGOQNOKSA-N -1 3 388.512 2.330 50 0 GEAAHM Cn1cc(C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)c(=O)[n-]c1=O ZINC000091793152 571030747 /nfs/dbraw/zinc/03/07/47/571030747.db2.gz SXXBDNHHZJOFTP-UHFFFAOYSA-N -1 3 389.455 2.296 50 0 GEAAHM O=C(c1ccccc1[O-])N1CCC[C@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 ZINC000091849252 571033092 /nfs/dbraw/zinc/03/30/92/571033092.db2.gz ZTSWXRYIJLIHAV-OAQYLSRUSA-N -1 3 382.464 2.203 50 0 GEAAHM O=C(c1ccccc1[O-])N1CCC[C@]2(CCC(=O)N(CCc3cnc[nH]3)C2)C1 ZINC000091849252 571033093 /nfs/dbraw/zinc/03/30/93/571033093.db2.gz ZTSWXRYIJLIHAV-OAQYLSRUSA-N -1 3 382.464 2.203 50 0 GEAAHM COC(=O)c1sccc1S(=O)(=O)[N-]CC1CCN(c2ccccn2)CC1 ZINC000043955304 571049115 /nfs/dbraw/zinc/04/91/15/571049115.db2.gz WGFCQHHOKNLIRR-UHFFFAOYSA-N -1 3 395.506 2.125 50 0 GEAAHM Cc1cc(C)n(-c2ccccc2CN2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])n1 ZINC000095352686 571050673 /nfs/dbraw/zinc/05/06/73/571050673.db2.gz VPTQYXLSFCKSQR-QGZVFWFLSA-N -1 3 382.464 2.044 50 0 GEAAHM C[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])N1C(=O)c2ccccc2S1(=O)=O ZINC000005272760 531518042 /nfs/dbraw/zinc/51/80/42/531518042.db2.gz IFVFIDZMDMUWND-VIFPVBQESA-N -1 3 380.809 2.217 50 0 GEAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)[C@H](C)Cn2cc(Br)cn2)N1 ZINC000006394340 531524785 /nfs/dbraw/zinc/52/47/85/531524785.db2.gz JFMBHUSBMWUNAN-RDDDGLTNSA-N -1 3 383.168 2.141 50 0 GEAAHM Cc1nn(CCC(=O)N2NC=C[C@]2([O-])C(F)(F)F)c(C)c1Br ZINC000006526310 531525967 /nfs/dbraw/zinc/52/59/67/531525967.db2.gz WBGUOGJJHDLOOO-NSHDSACASA-N -1 3 383.168 2.122 50 0 GEAAHM O=C([N-]c1nnc(S(=O)(=O)N2CCCCCC2)s1)c1ccccc1F ZINC000006818011 531532197 /nfs/dbraw/zinc/53/21/97/531532197.db2.gz JUUSQMGIPPSUOO-UHFFFAOYSA-N -1 3 384.458 2.494 50 0 GEAAHM C[C@@H](Sc1nnc(COc2ccccc2)n1C)C(=O)[N-]C1=NCCS1 ZINC000009095987 531550949 /nfs/dbraw/zinc/55/09/49/531550949.db2.gz QBONPXQWLJQKRO-LLVKDONJSA-N -1 3 377.495 2.094 50 0 GEAAHM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1C ZINC000021113275 531585884 /nfs/dbraw/zinc/58/58/84/531585884.db2.gz ICNCFNBFXQHTLT-UHFFFAOYSA-N -1 3 380.491 2.426 50 0 GEAAHM C[C@@H](C(=O)NC1CCCCC1)[S@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000155324967 531675808 /nfs/dbraw/zinc/67/58/08/531675808.db2.gz AATFRFZETLLOPL-USOBGDSLSA-N -1 3 379.404 2.287 50 0 GEAAHM CC(C)(Cc1ccccc1)[NH2+]C[C@@H](O)c1ccc([O-])c([N-]S(C)(=O)=O)c1 ZINC000001865607 212258832 /nfs/dbraw/zinc/25/88/32/212258832.db2.gz XJBCFFLVLOPYBV-GOSISDBHSA-N -1 3 378.494 2.408 50 0 in-man GEAAHM O=C(NC1CC1)c1cc(S(=O)(=O)[N-]C[C@H]2CCCO2)c(Cl)cc1Cl ZINC000001422350 212243349 /nfs/dbraw/zinc/24/33/49/212243349.db2.gz OYCDKMNBGXHXIG-SNVBAGLBSA-N -1 3 393.292 2.343 50 0 GEAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 ZINC000000813962 212184440 /nfs/dbraw/zinc/18/44/40/212184440.db2.gz BTDKTUBPVBEYGA-UHFFFAOYSA-N -1 3 390.461 2.033 50 0 GEAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)NC(C)=O)cc2)cc1 ZINC000000677221 212173282 /nfs/dbraw/zinc/17/32/82/212173282.db2.gz ZXPQWBXOXKSSLE-UHFFFAOYSA-N -1 3 379.463 2.329 50 0 GEAAHM CN1CCN(CCC[N-]S(=O)(=O)c2ccccc2F)[C@@H](c2ccccc2)C1 ZINC000026873773 212117154 /nfs/dbraw/zinc/11/71/54/212117154.db2.gz ROCGUZGDCCVAOH-LJQANCHMSA-N -1 3 391.512 2.483 50 0 GEAAHM CCOC(=O)c1nnsc1[N-]C(=O)N1CCN(c2cccc(OC)c2)CC1 ZINC000033436139 212111408 /nfs/dbraw/zinc/11/14/08/212111408.db2.gz CPUJWOBZPRDJOR-UHFFFAOYSA-N -1 3 391.453 2.078 50 0 GEAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1S(=O)(=O)N(C)C ZINC000005252668 220849875 /nfs/dbraw/zinc/84/98/75/220849875.db2.gz KELMFZYRIHBDLW-UHFFFAOYSA-N -1 3 398.506 2.363 50 0 GEAAHM C[C@]1(CSc2ccccc2C(=O)NCc2ccccc2F)NC(=O)[N-]C1=O ZINC000008331323 221037784 /nfs/dbraw/zinc/03/77/84/221037784.db2.gz UOAMJUBNUCPKEA-LJQANCHMSA-N -1 3 387.436 2.446 50 0 GEAAHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NCCO3)cc1 ZINC000008961836 221065718 /nfs/dbraw/zinc/06/57/18/221065718.db2.gz CWTRSJTYPCNTEB-UHFFFAOYSA-N -1 3 376.434 2.398 50 0 GEAAHM Cc1cccc(-n2ncc3c2nc(SCC(=O)NCc2ccco2)[n-]c3=O)c1 ZINC000009522457 221083943 /nfs/dbraw/zinc/08/39/43/221083943.db2.gz VDVNPGKBSJHOBF-UHFFFAOYSA-N -1 3 395.444 2.419 50 0 GEAAHM O=C(Cn1[n-]c(=O)c2ccccc2c1=O)OCC(=O)c1ccc2ccccc2c1 ZINC000009032443 221068058 /nfs/dbraw/zinc/06/80/58/221068058.db2.gz PUQVSKNQECHNEA-UHFFFAOYSA-N -1 3 388.379 2.269 50 0 GEAAHM Cc1nc(NC(=O)CSc2[n-]c(=O)nnc2C)sc1C(=O)OCC(C)C ZINC000011905867 221136200 /nfs/dbraw/zinc/13/62/00/221136200.db2.gz FNEIYVXGTFQLBA-UHFFFAOYSA-N -1 3 397.482 2.194 50 0 GEAAHM CCN(CC)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccno3)o2)cc1 ZINC000012234364 221171947 /nfs/dbraw/zinc/17/19/47/221171947.db2.gz HBIMOKNHSGBZBQ-UHFFFAOYSA-N -1 3 391.409 2.007 50 0 GEAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NCc1ccc(C(F)(F)F)cc1 ZINC000012988000 221252917 /nfs/dbraw/zinc/25/29/17/221252917.db2.gz HNBDGSMZDUPXRS-UHFFFAOYSA-N -1 3 391.349 2.415 50 0 GEAAHM CCn1c(SCC(=O)[N-]C2=NCCS2)nnc1-c1ccc2c(c1)OCO2 ZINC000013956480 221294810 /nfs/dbraw/zinc/29/48/10/221294810.db2.gz FTBMEALIAYMDCF-UHFFFAOYSA-N -1 3 391.478 2.005 50 0 GEAAHM Cc1cc(C)cc(OCCN(C)C(=O)CCn2[n-]c(=O)c3ccccc3c2=O)c1 ZINC000016175308 221359193 /nfs/dbraw/zinc/35/91/93/221359193.db2.gz BXVIGUAYAQOKBH-UHFFFAOYSA-N -1 3 395.459 2.234 50 0 GEAAHM COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1 ZINC000016606413 221366024 /nfs/dbraw/zinc/36/60/24/221366024.db2.gz OLSQKKYQWKOJCN-UHFFFAOYSA-N -1 3 390.461 2.440 50 0 GEAAHM COC(=O)c1ccc(N2CCN(C(=O)c3ccc4n[n-]nc4c3)[C@H](C)C2)cc1 ZINC000058282842 136155183 /nfs/dbraw/zinc/15/51/83/136155183.db2.gz WNLRPKJGIVILQY-CYBMUJFWSA-N -1 3 379.420 2.095 50 0 GEAAHM O=C([O-])[C@H](CC(=O)Nc1cccc(O)c1)CN1CCN(c2ccccc2)CC1 ZINC000071283471 136165630 /nfs/dbraw/zinc/16/56/30/136165630.db2.gz HTDWCUHAKCXXDI-MRXNPFEDSA-N -1 3 383.448 2.244 50 0 GEAAHM CCOC(=O)c1ccc(NC(=O)CCN2C(=O)COc3ccccc32)c([O-])c1 ZINC000089984852 136175828 /nfs/dbraw/zinc/17/58/28/136175828.db2.gz YXEGZZNKQVEQNJ-UHFFFAOYSA-N -1 3 384.388 2.323 50 0 GEAAHM CS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc21 ZINC000005329098 136194731 /nfs/dbraw/zinc/19/47/31/136194731.db2.gz BOHDZEXDOPGUIH-UHFFFAOYSA-N -1 3 384.454 2.339 50 0 GEAAHM Cc1cc(NC(=O)CSc2nc3c(cnn3Cc3ccccc3)c(=O)[n-]2)no1 ZINC000036712356 221866131 /nfs/dbraw/zinc/86/61/31/221866131.db2.gz MEKNXOMCXHMEJN-UHFFFAOYSA-N -1 3 396.432 2.195 50 0 GEAAHM COC(=O)Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccccc3Cl)ccc21 ZINC000064818781 222084248 /nfs/dbraw/zinc/08/42/48/222084248.db2.gz TWOFTYLYCZHFCC-UHFFFAOYSA-N -1 3 396.808 2.222 50 0 GEAAHM Nc1nc(CC(=O)NCc2ccc3[nH]c4c(c3c2)CCCCCC4)cc(=O)[n-]1 ZINC000071749840 222189532 /nfs/dbraw/zinc/18/95/32/222189532.db2.gz RSYBWYSXCZGAEE-UHFFFAOYSA-N -1 3 379.464 2.351 50 0 GEAAHM Cc1c(NCc2ccccn2)cccc1C(=O)N1C[C@H](N(C)C)C[C@H]1C(=O)[O-] ZINC000065533011 222132868 /nfs/dbraw/zinc/13/28/68/222132868.db2.gz PNKNEPUANWZPIL-APWZRJJASA-N -1 3 382.464 2.231 50 0 GEAAHM O=C([O-])c1c2c(sc1S(=O)(=O)N1CCC[C@@H]1c1ccco1)CNCC2 ZINC000067818845 222160861 /nfs/dbraw/zinc/16/08/61/222160861.db2.gz KSAIALOLQFDJNT-LLVKDONJSA-N -1 3 382.463 2.211 50 0 GEAAHM COCCN1CCC[C@H](CN(C)c2ncnc3sc(C(=O)[O-])c(C)c32)C1 ZINC000067935340 222168783 /nfs/dbraw/zinc/16/87/83/222168783.db2.gz KXMUDBYCFWWJJG-CYBMUJFWSA-N -1 3 378.498 2.493 50 0 GEAAHM COc1cc(C(=O)N2CCc3nnc(CCc4ccccc4)n3CC2)ccc1[O-] ZINC000071278803 222178088 /nfs/dbraw/zinc/17/80/88/222178088.db2.gz LCIBZODSJXPZDP-UHFFFAOYSA-N -1 3 392.459 2.476 50 0 GEAAHM Cc1cccc(-c2noc(CCCC(=O)N3CCc4c(=O)[n-]cnc4C3)n2)c1 ZINC000072157616 222213537 /nfs/dbraw/zinc/21/35/37/222213537.db2.gz QLYJZYINAALZDC-UHFFFAOYSA-N -1 3 379.420 2.036 50 0 GEAAHM Cc1nn(C)c(C)c1CN(C)C[C@H](CC(=O)Nc1ccc(Cl)nc1)C(=O)[O-] ZINC000072406472 222255371 /nfs/dbraw/zinc/25/53/71/222255371.db2.gz WFMLBUDBWIUMAO-ZDUSSCGKSA-N -1 3 393.875 2.247 50 0 GEAAHM Cc1noc(C)c1S(=O)(=O)[N-]CCn1nc(C(F)(F)F)cc1C1CC1 ZINC000096103769 222380567 /nfs/dbraw/zinc/38/05/67/222380567.db2.gz UQYYLIFDYGNCMZ-UHFFFAOYSA-N -1 3 378.376 2.363 50 0 GEAAHM Cc1cc(C)n(Cc2ccc(C(=O)N3CCc4nc(C)[n-]c(=O)c4CC3)cc2)n1 ZINC000216003890 570294670 /nfs/dbraw/zinc/29/46/70/570294670.db2.gz OFSFJNXEHCAZPT-UHFFFAOYSA-N -1 3 391.475 2.181 50 0 GEAAHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@@H](c1cccs1)n1cccn1 ZINC000575613993 570339985 /nfs/dbraw/zinc/33/99/85/570339985.db2.gz NPBJNJGGEQTONZ-NSHDSACASA-N -1 3 397.503 2.361 50 0 GEAAHM COc1ccccc1CNC(=O)[C@H]([N-]S(=O)(=O)c1cccs1)C(C)C ZINC000004879870 570354200 /nfs/dbraw/zinc/35/42/00/570354200.db2.gz YLHIRYVPGDPGBN-MRXNPFEDSA-N -1 3 382.507 2.376 50 0 GEAAHM S=C(NCc1ccccc1)NN=c1nc(N2CCCC2)nc(N2CCCC2)[n-]1 ZINC000004941995 570377338 /nfs/dbraw/zinc/37/73/38/570377338.db2.gz HYPYGRQCMMEMON-UHFFFAOYSA-N -1 3 398.540 2.063 50 0 GEAAHM O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1cc(Cl)ccc1[O-] ZINC000004940665 570377508 /nfs/dbraw/zinc/37/75/08/570377508.db2.gz IKMFEBARMVDWOE-UHFFFAOYSA-N -1 3 380.809 2.219 50 0 GEAAHM CCOc1ncccc1C(=O)O[C@H](C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000024046883 570377969 /nfs/dbraw/zinc/37/79/69/570377969.db2.gz PEASZGLFSMUQMX-GFCCVEGCSA-N -1 3 392.433 2.280 50 0 GEAAHM O=S(=O)([N-]Cc1ccc(CN2CCOCC2)cc1)c1cc(F)cc(F)c1 ZINC000024193315 570380404 /nfs/dbraw/zinc/38/04/04/570380404.db2.gz QYNSZEVZPZLYQQ-UHFFFAOYSA-N -1 3 382.432 2.276 50 0 GEAAHM O=S(=O)([N-]Cc1ccccc1CN1CCOCC1)c1ccc(F)c(F)c1 ZINC000024193318 570380488 /nfs/dbraw/zinc/38/04/88/570380488.db2.gz BPPKWQLCWFMDPX-UHFFFAOYSA-N -1 3 382.432 2.276 50 0 GEAAHM CCOC(=O)c1c(C)oc2nc(CN(C)Cc3ccc4c(c3)OCO4)[n-]c(=O)c21 ZINC000024573123 570385911 /nfs/dbraw/zinc/38/59/11/570385911.db2.gz NCBUMYYGQBGTEU-UHFFFAOYSA-N -1 3 399.403 2.362 50 0 GEAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@@H](O)c1ccc2c(c1)OCO2 ZINC000090612630 570387336 /nfs/dbraw/zinc/38/73/36/570387336.db2.gz RJXFHLFCFXZCRL-CYBMUJFWSA-N -1 3 399.852 2.479 50 0 GEAAHM COc1ccc2c(c1)[n-]cc(C(=O)N(C)C[C@H]1COc3ccccc3O1)c2=O ZINC000072236005 570408994 /nfs/dbraw/zinc/40/89/94/570408994.db2.gz DDTCCZUPMKGWOX-AWEZNQCLSA-N -1 3 380.400 2.449 50 0 GEAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)NC1CCCC1 ZINC000005067933 570410537 /nfs/dbraw/zinc/41/05/37/570410537.db2.gz TXROMJVLYRNQLF-CQSZACIVSA-N -1 3 382.511 2.053 50 0 GEAAHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CCOc2ccc(C)cc2C)s1 ZINC000026358926 570424842 /nfs/dbraw/zinc/42/48/42/570424842.db2.gz LFHKBRBYIKJXKG-UHFFFAOYSA-N -1 3 382.507 2.358 50 0 GEAAHM Cc1ccc(Nc2nc(-c3cnc(N4CCN(C)CC4)nc3C)cc(=O)[n-]2)cc1 ZINC000036235629 570561093 /nfs/dbraw/zinc/56/10/93/570561093.db2.gz UGSBGRQYEBLCJI-UHFFFAOYSA-N -1 3 391.479 2.339 50 0 GEAAHM Cc1nc(N2CCN(C)CC2)ncc1-c1cc(=O)[n-]c(Nc2ccccc2)n1 ZINC000036235626 570578354 /nfs/dbraw/zinc/57/83/54/570578354.db2.gz OKTFLTPPDGHQEJ-UHFFFAOYSA-N -1 3 377.452 2.031 50 0 GEAAHM Cc1cc(=O)n2nc(NCc3ccc(C(=O)NCc4ccccc4)cc3)[n-]c2n1 ZINC000021806719 570746039 /nfs/dbraw/zinc/74/60/39/570746039.db2.gz XFXZBWMOXCNMGT-UHFFFAOYSA-N -1 3 388.431 2.268 50 0 GEAAHM COc1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1S(N)(=O)=O ZINC000005885705 570800891 /nfs/dbraw/zinc/80/08/91/570800891.db2.gz YGLMGBVUFSRXRK-UHFFFAOYSA-N -1 3 398.506 2.377 50 0 GEAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nc(-c2cc(C)on2)no1 ZINC000238873675 570809208 /nfs/dbraw/zinc/80/92/08/570809208.db2.gz NMWWJZSLLRWANE-UHFFFAOYSA-N -1 3 384.801 2.174 50 0 GEAAHM COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)N[C@@H](C)CCc1ccccc1 ZINC000031618430 570818553 /nfs/dbraw/zinc/81/85/53/570818553.db2.gz KDLQFGXCTLABTI-LBPRGKRZSA-N -1 3 389.477 2.095 50 0 GEAAHM COC(=O)c1ccccc1-n1c([O-])c2onc(-c3ccccc3Cl)c2c1O ZINC000101493667 570825103 /nfs/dbraw/zinc/82/51/03/570825103.db2.gz RJJXGHSBHAABBR-HOCLYGCPSA-N -1 3 384.775 2.419 50 0 GEAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2)c(OC)c1 ZINC000012541729 570842940 /nfs/dbraw/zinc/84/29/40/570842940.db2.gz KEVUECZBCJHIHP-UHFFFAOYSA-N -1 3 391.493 2.256 50 0 GEAAHM Cc1nc(-c2ccc(N3C(=O)CN(CCC(F)(F)F)C3=O)cc2)cc(=O)[n-]1 ZINC000170613856 570871000 /nfs/dbraw/zinc/87/10/00/570871000.db2.gz HCNAUCSJWINAPU-UHFFFAOYSA-N -1 3 380.326 2.466 50 0 GEAAHM CC[C@]1(C(=O)[O-])[NH2+][C@H](c2ccccc2[O-])[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000003624257 570878714 /nfs/dbraw/zinc/87/87/14/570878714.db2.gz YLERWQOEHNKWDH-OPOADAIRSA-N -1 3 380.400 2.076 50 0 GEAAHM CCC(NCCN1CCCCC1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000019372493 570981103 /nfs/dbraw/zinc/98/11/03/570981103.db2.gz QVHIYQDTFAMQLD-FBMGVBCBSA-N -1 3 384.480 2.317 50 0 GEAAHM CCc1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)cc1 ZINC000091305121 571002727 /nfs/dbraw/zinc/00/27/27/571002727.db2.gz CMOZEJUHGTZTSC-UXHICEINSA-N -1 3 387.524 2.192 50 0 GEAAHM Cc1ncc(CC(=O)N2CCC[C@](C)(Cc3ccc4c(c3)OCO4)C2)c(=O)[n-]1 ZINC000091847562 571033312 /nfs/dbraw/zinc/03/33/12/571033312.db2.gz MGQXFBSNXMYTPD-OAQYLSRUSA-N -1 3 383.448 2.221 50 0 GEAAHM Cc1nn(-c2ccccc2)c(C)c1CN1CCC2(CC1)NC(=O)C[C@H]2C(=O)[O-] ZINC000095386495 571070288 /nfs/dbraw/zinc/07/02/88/571070288.db2.gz YIKHOQSAVPRVQU-SFHVURJKSA-N -1 3 382.464 2.044 50 0 GEAAHM Cc1noc(C)c1S(=O)(=O)[N-]CCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000670462763 652750050 /nfs/dbraw/zinc/75/00/50/652750050.db2.gz MSCWYYQNQBBRBD-UHFFFAOYSA-N -1 3 382.467 2.140 50 0 GEAAHM Cc1nn2c(nnc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)[n-]c1=O ZINC000004251395 531512385 /nfs/dbraw/zinc/51/23/85/531512385.db2.gz TUWABSFTLKQDPZ-UHFFFAOYSA-N -1 3 385.236 2.159 50 0 GEAAHM Cc1nn(CCC(=O)N2NC=C[C@@]2([O-])C(F)(F)F)c(C)c1Br ZINC000006526299 531524840 /nfs/dbraw/zinc/52/48/40/531524840.db2.gz WBGUOGJJHDLOOO-LLVKDONJSA-N -1 3 383.168 2.122 50 0 GEAAHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(NC(C)=O)c2)ccc1Cl ZINC000006787830 531530650 /nfs/dbraw/zinc/53/06/50/531530650.db2.gz JCDORQIISOROKK-UHFFFAOYSA-N -1 3 381.841 2.459 50 0 GEAAHM O=C(Nc1ncccc1[O-])c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000023078793 531595005 /nfs/dbraw/zinc/59/50/05/531595005.db2.gz LGJUCLKPOZDLGS-UHFFFAOYSA-N -1 3 381.841 2.477 50 0 GEAAHM Cc1nnc(COC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c2)o1 ZINC000027365212 531623942 /nfs/dbraw/zinc/62/39/42/531623942.db2.gz ZCQSVWJXCNQDDH-UHFFFAOYSA-N -1 3 387.845 2.465 50 0 GEAAHM CCCCCNC(=O)[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(C)C ZINC000036329888 531658627 /nfs/dbraw/zinc/65/86/27/531658627.db2.gz MGFQZIBEVWXOHK-AWEZNQCLSA-N -1 3 384.527 2.301 50 0 GEAAHM O=C(CCNC(=O)c1cc(F)ccc1Br)Nc1ncccc1[O-] ZINC000048268688 531728734 /nfs/dbraw/zinc/72/87/34/531728734.db2.gz OJYYUYYOAIPWKY-UHFFFAOYSA-N -1 3 382.189 2.447 50 0 GEAAHM CO[C@H](C[N-]S(=O)(=O)c1cnc(NC(C)=O)s1)c1ccc(Cl)s1 ZINC000225707419 532487858 /nfs/dbraw/zinc/48/78/58/532487858.db2.gz SYEBMWFNERIFBN-MRVPVSSYSA-N -1 3 395.915 2.482 50 0 GEAAHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(N(C)S(C)(=O)=O)c2)cc1 ZINC000000665833 212171510 /nfs/dbraw/zinc/17/15/10/212171510.db2.gz NZDAEABCEMBMGU-UHFFFAOYSA-N -1 3 384.479 2.282 50 0 GEAAHM COc1ccc(N2C[C@H](C[N-]S(=O)(=O)c3ccc(F)cc3F)CC2=O)cc1 ZINC000009035809 212159613 /nfs/dbraw/zinc/15/96/13/212159613.db2.gz FOTKQXVFNWDGDT-LBPRGKRZSA-N -1 3 396.415 2.305 50 0 GEAAHM COc1ccc2cc(C(=O)NC3CCN(c4nc(C)cc(=O)[n-]4)CC3)[nH]c2c1 ZINC000253537708 212137326 /nfs/dbraw/zinc/13/73/26/212137326.db2.gz NQKQVXABAQHLIJ-UHFFFAOYSA-N -1 3 381.436 2.379 50 0 GEAAHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3cc(-c4ccccc4)nn3C)CC2)n1 ZINC000253537681 212136705 /nfs/dbraw/zinc/13/67/05/212136705.db2.gz HVGUZGBZSWIQFB-UHFFFAOYSA-N -1 3 392.463 2.290 50 0 GEAAHM O=S(=O)([N-]Cc1nnc2ccc(-c3ccsc3)nn21)c1ccccc1F ZINC000253472837 212136869 /nfs/dbraw/zinc/13/68/69/212136869.db2.gz QBEBWJLRJHYSHL-UHFFFAOYSA-N -1 3 389.437 2.470 50 0 GEAAHM CC(C)CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)C(=O)NCCc2ccccc2)N1 ZINC000004173698 220689699 /nfs/dbraw/zinc/68/96/99/220689699.db2.gz YPWFHVUBNRKHCE-KRWDZBQOSA-N -1 3 385.386 2.231 50 0 GEAAHM COc1ccc(S(=O)(=O)NN=c2nc(C)cc(C)[n-]2)cc1Br ZINC000005121281 220832047 /nfs/dbraw/zinc/83/20/47/220832047.db2.gz NPDMBOUSOYUAKA-UHFFFAOYSA-N -1 3 387.259 2.170 50 0 GEAAHM CCOCCC[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000007616267 221003478 /nfs/dbraw/zinc/00/34/78/221003478.db2.gz MCJIJIVUHSOPSP-UHFFFAOYSA-N -1 3 382.276 2.171 50 0 GEAAHM COc1ccccc1CNC(=O)c1ccccc1SC[C@]1(C)NC(=O)[N-]C1=O ZINC000008277287 221034102 /nfs/dbraw/zinc/03/41/02/221034102.db2.gz WRJKUWCGWKCBFV-FQEVSTJZSA-N -1 3 399.472 2.315 50 0 GEAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cc(C)cc(C)c1N(CC(C)C)C2=O ZINC000008335252 221037787 /nfs/dbraw/zinc/03/77/87/221037787.db2.gz SNBJLIKQAKYZGQ-LJQANCHMSA-N -1 3 388.493 2.461 50 0 GEAAHM O=c1ccc(-c2cccs2)nn1CC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000008954929 221065310 /nfs/dbraw/zinc/06/53/10/221065310.db2.gz XZHNWPGIMIKNQI-UHFFFAOYSA-N -1 3 397.428 2.229 50 0 GEAAHM O=C(CNC(=O)c1ccccc1F)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000010293946 221100655 /nfs/dbraw/zinc/10/06/55/221100655.db2.gz QIRXSEGCZVALPP-UHFFFAOYSA-N -1 3 399.422 2.138 50 0 GEAAHM Cc1ccc([O-])c(C(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)c1 ZINC000010639424 221106316 /nfs/dbraw/zinc/10/63/16/221106316.db2.gz XNWFMDPEQLAPDO-UHFFFAOYSA-N -1 3 376.478 2.458 50 0 GEAAHM O=c1ccc(-c2ccc(F)cc2)nn1CCC[N-]S(=O)(=O)c1cccs1 ZINC000011738579 221123816 /nfs/dbraw/zinc/12/38/16/221123816.db2.gz WHEYOXUZWSOUMA-UHFFFAOYSA-N -1 3 393.465 2.480 50 0 GEAAHM O=C(COc1ccccc1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011450605 221116240 /nfs/dbraw/zinc/11/62/40/221116240.db2.gz AMZRSTKANBFCTK-UHFFFAOYSA-N -1 3 380.491 2.096 50 0 GEAAHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)c1 ZINC000011904478 221135030 /nfs/dbraw/zinc/13/50/30/221135030.db2.gz GWEVBSWXQLIEQQ-UHFFFAOYSA-N -1 3 394.474 2.171 50 0 GEAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1nnc2ccccn21 ZINC000012323460 221181487 /nfs/dbraw/zinc/18/14/87/221181487.db2.gz NZJBKPDBBBGLFV-CQSZACIVSA-N -1 3 388.478 2.410 50 0 GEAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)Nc1nc(-c2cccnc2)cs1 ZINC000012516158 221200010 /nfs/dbraw/zinc/20/00/10/221200010.db2.gz AQPAOZFUYFYNRR-UHFFFAOYSA-N -1 3 393.428 2.237 50 0 GEAAHM C[C@]12CC(C)(C)NC(=S)N1CC(=O)N2N=c1ccc(-c2cccs2)n[n-]1 ZINC000012402176 221188781 /nfs/dbraw/zinc/18/87/81/221188781.db2.gz UCDBIRPPVKTHKS-KRWDZBQOSA-N -1 3 388.522 2.449 50 0 GEAAHM Cc1nc(C)c(CCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(=O)[n-]1 ZINC000012767323 221227869 /nfs/dbraw/zinc/22/78/69/221227869.db2.gz KWYWCDLCCIYGNH-QGZVFWFLSA-N -1 3 383.448 2.454 50 0 GEAAHM COCCn1c(=O)[n-]c(=O)c2c(C(F)(F)F)cc(-c3ccccc3OC)nc21 ZINC000012786048 221231295 /nfs/dbraw/zinc/23/12/95/221231295.db2.gz MBSKZKLIEUUEAE-UHFFFAOYSA-N -1 3 395.337 2.426 50 0 GEAAHM CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3cc4c(cc3Cl)OCO4)ccc21 ZINC000012903296 221243720 /nfs/dbraw/zinc/24/37/20/221243720.db2.gz OEDXUHWJJBOWIP-UHFFFAOYSA-N -1 3 380.809 2.388 50 0 GEAAHM Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000012886258 221240982 /nfs/dbraw/zinc/24/09/82/221240982.db2.gz CNZCIHBCFCIGSC-UHFFFAOYSA-N -1 3 393.491 2.497 50 0 GEAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000013003856 221255592 /nfs/dbraw/zinc/25/55/92/221255592.db2.gz XJJOSWKTEGFOOJ-QMMMGPOBSA-N -1 3 375.809 2.389 50 0 GEAAHM CC(C)[C@@H]([N-]S(=O)(=O)/C=C/c1ccccc1)C(=O)OCC(=O)NC(C)(C)C ZINC000014128989 221299968 /nfs/dbraw/zinc/29/99/68/221299968.db2.gz HDUXNAWCARIPLY-FMQWLBJXSA-N -1 3 396.509 2.059 50 0 GEAAHM Cc1nc(N2CCC(C)CC2)ncc1-c1cc(=O)[n-]c(NC[C@@H]2CCCO2)n1 ZINC000039383703 132390990 /nfs/dbraw/zinc/39/09/90/132390990.db2.gz MQJXWVXLGXGXMQ-HNNXBMFYSA-N -1 3 384.484 2.363 50 0 GEAAHM Cc1nc2sc([C@@H](c3cccc(F)c3)N3CCC(C(N)=O)CC3)c([O-])n2n1 ZINC000023157362 221586619 /nfs/dbraw/zinc/58/66/19/221586619.db2.gz FAFXLJWVGAWUOI-CQSZACIVSA-N -1 3 389.456 2.231 50 0 GEAAHM O=S(=O)([N-]C[C@@H](c1ccccc1)N1CCOCC1)c1cc(F)cc(F)c1 ZINC000044782937 221954027 /nfs/dbraw/zinc/95/40/27/221954027.db2.gz IHRQHUUDHCUWJA-SFHVURJKSA-N -1 3 382.432 2.317 50 0 GEAAHM O=C(Cc1ccc(F)cc1)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000058181307 222043437 /nfs/dbraw/zinc/04/34/37/222043437.db2.gz YLSMFZDTACFKAA-UHFFFAOYSA-N -1 3 376.862 2.178 50 0 GEAAHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@@H]3COc4ccccc43)cc(C(C)C)nc21 ZINC000058959050 222055628 /nfs/dbraw/zinc/05/56/28/222055628.db2.gz XXNCIINKWALCLY-OAHLLOKOSA-N -1 3 394.431 2.092 50 0 GEAAHM COc1ccc(N2CC[C@H]([N-]S(=O)(=O)Cc3cccc(F)c3)C2=O)cc1 ZINC000065229235 222113065 /nfs/dbraw/zinc/11/30/65/222113065.db2.gz PPXFASKVWSTNFW-KRWDZBQOSA-N -1 3 378.425 2.059 50 0 GEAAHM CCOc1ccc([N-]S(=O)(=O)c2cc3c(cc2C)n(C)c(=O)n3C)cc1 ZINC000064976556 222091392 /nfs/dbraw/zinc/09/13/92/222091392.db2.gz BJWYXLMLGLTQLJ-UHFFFAOYSA-N -1 3 375.450 2.385 50 0 GEAAHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)Nc1ccccc1OCCOc1ccccc1 ZINC000065426840 222129174 /nfs/dbraw/zinc/12/91/74/222129174.db2.gz IPUSUATVJREEMK-INIZCTEOSA-N -1 3 383.404 2.071 50 0 GEAAHM CN1[C@@H](c2ccccc2F)[C@@H](C(=O)N2CCc3ncccc3C2)C[C@H]1C(=O)[O-] ZINC000067878380 222165868 /nfs/dbraw/zinc/16/58/68/222165868.db2.gz KVCMBWGWVZNIML-SNRMKQJTSA-N -1 3 383.423 2.252 50 0 GEAAHM CCn1nc(C)c(C(=O)N2CCc3c(=O)[n-]c(-c4ccccc4)nc3C2)c1C ZINC000072137029 222210080 /nfs/dbraw/zinc/21/00/80/222210080.db2.gz SDKBOILOWFFRDA-UHFFFAOYSA-N -1 3 377.448 2.469 50 0 GEAAHM CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)c1ccccc1-c1nnn[n-]1 ZINC000072418447 222257588 /nfs/dbraw/zinc/25/75/88/222257588.db2.gz OYOWXFJAUAGCQZ-UHFFFAOYSA-N -1 3 377.383 2.464 50 0 GEAAHM CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)c1ccccc1-c1nn[n-]n1 ZINC000072418447 222257592 /nfs/dbraw/zinc/25/75/92/222257592.db2.gz OYOWXFJAUAGCQZ-UHFFFAOYSA-N -1 3 377.383 2.464 50 0 GEAAHM Cc1ccc2[n-]cc(C(=O)N3CCN(Cc4ncccc4C)CC3)c(=O)c2c1 ZINC000072473154 222264570 /nfs/dbraw/zinc/26/45/70/222264570.db2.gz NODCCKOPKOEWIU-UHFFFAOYSA-N -1 3 376.460 2.498 50 0 GEAAHM COc1cc2c(cc1-c1nccn1CCc1cc(=O)[n-]c(C)n1)OCCCO2 ZINC000077487130 222282922 /nfs/dbraw/zinc/28/29/22/222282922.db2.gz VBFAVXAGUANEBR-UHFFFAOYSA-N -1 3 382.420 2.354 50 0 GEAAHM O=C(NCCn1[n-]c(=O)c2ccccc2c1=O)c1csc(-c2cccs2)n1 ZINC000082096247 222308795 /nfs/dbraw/zinc/30/87/95/222308795.db2.gz WBGMCSKZJBPPTC-UHFFFAOYSA-N -1 3 398.469 2.305 50 0 GEAAHM CN1CCN([C@H]2CCN(C(=O)c3sccc3Cl)C[C@H]2CCC(=O)[O-])CC1 ZINC000095528088 222350797 /nfs/dbraw/zinc/35/07/97/222350797.db2.gz FYIVVVQBYZUFSP-HIFRSBDPSA-N -1 3 399.944 2.344 50 0 GEAAHM O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC[C@@H](c2cc(=O)[n-]cn2)C1 ZINC000096150848 222391620 /nfs/dbraw/zinc/39/16/20/222391620.db2.gz AAPHZLHKHQSTQE-OAHLLOKOSA-N -1 3 376.416 2.145 50 0 GEAAHM CCCn1nc(C)c(NC(=O)NCCn2[n-]c(=O)c3ccccc3c2=O)c1C ZINC000097155919 570237876 /nfs/dbraw/zinc/23/78/76/570237876.db2.gz KZNNJLSFSGMQJP-UHFFFAOYSA-N -1 3 384.440 2.147 50 0 GEAAHM CCCCN1C(=O)[N-]C(=O)C(=C(C)NC2CCN(Cc3ccccc3)CC2)C1=O ZINC000020328361 570252270 /nfs/dbraw/zinc/25/22/70/570252270.db2.gz REUHNUABSPKLTA-KNTRCKAVSA-N -1 3 398.507 2.393 50 0 GEAAHM C/C(=C\c1ccccc1)CN1CCN(C)[C@]2(C1)CCC(=O)N(CC(=O)[O-])CC2 ZINC000108005031 570261725 /nfs/dbraw/zinc/26/17/25/570261725.db2.gz BSBXSKZYUBCISN-OVWUPXBPSA-N -1 3 385.508 2.173 50 0 GEAAHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)OCC(=O)C(C)(C)C)cc(C3CC3)nc21 ZINC000012847663 570265521 /nfs/dbraw/zinc/26/55/21/570265521.db2.gz AYHCEGNFHQJELU-UHFFFAOYSA-N -1 3 387.436 2.144 50 0 GEAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(N(C)C)nc1 ZINC000022395963 570316050 /nfs/dbraw/zinc/31/60/50/570316050.db2.gz NCWSJBHRZONHHU-HNNXBMFYSA-N -1 3 382.511 2.151 50 0 GEAAHM Cc1cc2c(cc1NC(=O)c1cc(-c3ccco3)[n-]n1)N(C)S(=O)(=O)N2C ZINC000575613819 570339661 /nfs/dbraw/zinc/33/96/61/570339661.db2.gz WBXUPYKSTQLYMI-UHFFFAOYSA-N -1 3 387.421 2.361 50 0 GEAAHM Cc1cc2c(cc1NC(=O)c1cc(-c3ccco3)n[n-]1)N(C)S(=O)(=O)N2C ZINC000575613819 570339662 /nfs/dbraw/zinc/33/96/62/570339662.db2.gz WBXUPYKSTQLYMI-UHFFFAOYSA-N -1 3 387.421 2.361 50 0 GEAAHM CC(C)c1nc(S(=O)(=O)[N-]C[C@@H](c2ccsc2)n2cccn2)cn1C ZINC000575614493 570340668 /nfs/dbraw/zinc/34/06/68/570340668.db2.gz UWOXSZTXASLIEB-AWEZNQCLSA-N -1 3 379.511 2.369 50 0 GEAAHM COc1ccc(C(=O)COC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1F ZINC000023232595 570351583 /nfs/dbraw/zinc/35/15/83/570351583.db2.gz MFQUVJZQBDMSHP-UHFFFAOYSA-N -1 3 381.381 2.246 50 0 GEAAHM O=S(=O)([N-]CCc1nnc(Cc2ccc(F)cc2)[nH]1)c1ccc(F)c(F)c1 ZINC000035509301 570379906 /nfs/dbraw/zinc/37/99/06/570379906.db2.gz HKIUAIFLUISOJQ-UHFFFAOYSA-N -1 3 396.394 2.334 50 0 GEAAHM Cc1c(C(N)=O)sc2[n-]c(Cc3nccn3Cc3ccccc3)nc(=O)c12 ZINC000053844538 570413056 /nfs/dbraw/zinc/41/30/56/570413056.db2.gz FDCCSUROARRZRF-UHFFFAOYSA-N -1 3 379.445 2.228 50 0 GEAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CCOCC1 ZINC000004999262 570422878 /nfs/dbraw/zinc/42/28/78/570422878.db2.gz KFFHHZALIDXABW-UHFFFAOYSA-N -1 3 394.424 2.108 50 0 GEAAHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000011742632 570431871 /nfs/dbraw/zinc/43/18/71/570431871.db2.gz KCIMKUDERPJZEZ-LBPRGKRZSA-N -1 3 392.868 2.254 50 0 GEAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc4nnnn4n3)cc2)cc1 ZINC000028940447 570466989 /nfs/dbraw/zinc/46/69/89/570466989.db2.gz BSAZFVAEALXLKP-UHFFFAOYSA-N -1 3 382.405 2.421 50 0 GEAAHM Cc1ccc(C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c([O-])c1 ZINC000024216374 570479813 /nfs/dbraw/zinc/47/98/13/570479813.db2.gz NYVIDXAHPAJIQY-UHFFFAOYSA-N -1 3 392.452 2.377 50 0 GEAAHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)NOCc3ccccc3)cc(C(C)C)nc21 ZINC000030114004 570486123 /nfs/dbraw/zinc/48/61/23/570486123.db2.gz KANWXSCULKOZAL-UHFFFAOYSA-N -1 3 396.447 2.480 50 0 GEAAHM CS(=O)(=O)[N-]c1ccc(C(=O)CSc2nnnn2-c2ccccc2)cc1 ZINC000006590846 570488252 /nfs/dbraw/zinc/48/82/52/570488252.db2.gz XRYCWPKWASXZBW-UHFFFAOYSA-N -1 3 389.462 2.009 50 0 GEAAHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)N1CCOCC1 ZINC000007361778 570503238 /nfs/dbraw/zinc/50/32/38/570503238.db2.gz CROAOLSRXSSNHL-UHFFFAOYSA-N -1 3 390.461 2.033 50 0 GEAAHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1ccc2c(c1)OCCCO2 ZINC000032976413 570570698 /nfs/dbraw/zinc/57/06/98/570570698.db2.gz DZQOGGUXHKIHOX-UHFFFAOYSA-N -1 3 382.463 2.217 50 0 GEAAHM Cc1nc(N2CCOCC2)ncc1-c1cc(=O)[n-]c(NCCc2ccccc2)n1 ZINC000036245289 570580458 /nfs/dbraw/zinc/58/04/58/570580458.db2.gz GARURQGFAWCZMU-UHFFFAOYSA-N -1 3 392.463 2.027 50 0 GEAAHM COCc1nn2c(ncc3c2ccn([N-]C(N)=O)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397867 570601479 /nfs/dbraw/zinc/60/14/79/570601479.db2.gz KTHNGZZMVQBGIS-UHFFFAOYSA-N -1 3 398.810 2.133 50 0 GEAAHM O=C([O-])c1sccc1NC(=O)CC[N@@H+]1CCC[C@H](c2cc(=O)[n-]cn2)C1 ZINC000243957093 570691991 /nfs/dbraw/zinc/69/19/91/570691991.db2.gz CFMYQBKQQOJWBX-NSHDSACASA-N -1 3 376.438 2.150 50 0 GEAAHM O=C([O-])c1sccc1NC(=O)CC[N@H+]1CCC[C@H](c2cc(=O)[n-]cn2)C1 ZINC000243957093 570691996 /nfs/dbraw/zinc/69/19/96/570691996.db2.gz CFMYQBKQQOJWBX-NSHDSACASA-N -1 3 376.438 2.150 50 0 GEAAHM O=C(N[C@H]1C[C@@H](c2cc(=O)[n-]c(N3CCCC3)n2)C1)c1ccc2c(c1)OCO2 ZINC000253535528 570733582 /nfs/dbraw/zinc/73/35/82/570733582.db2.gz ZYPSIWUVXZQYGN-OKILXGFUSA-N -1 3 382.420 2.187 50 0 GEAAHM CS(=O)(=O)[N-]c1ccc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1 ZINC000007026612 570742858 /nfs/dbraw/zinc/74/28/58/570742858.db2.gz HPPAVKUYBIIUJZ-UHFFFAOYSA-N -1 3 391.836 2.304 50 0 GEAAHM Cc1cc(=O)n2nc(NCc3ccc(C(=O)NC4CCCCC4)cc3)[n-]c2n1 ZINC000021806747 570746019 /nfs/dbraw/zinc/74/60/19/570746019.db2.gz ZBZZZJBXQQYXBN-UHFFFAOYSA-N -1 3 380.452 2.401 50 0 GEAAHM C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)c2cc(C)n(C)c2C)ccc1Cl ZINC000005878054 570800212 /nfs/dbraw/zinc/80/02/12/570800212.db2.gz UIZLTKJMIWKOQT-UHFFFAOYSA-N -1 3 398.868 2.243 50 0 GEAAHM CCCOC(=O)[C@@H](CCSC)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000036772525 570811898 /nfs/dbraw/zinc/81/18/98/570811898.db2.gz YXQODRCDKKFDSF-LLVKDONJSA-N -1 3 389.524 2.045 50 0 GEAAHM COc1ccccc1CC[N-]S(=O)(=O)[C@H]1CON(C)[C@@H]1c1cccc(F)c1 ZINC000105049509 570913859 /nfs/dbraw/zinc/91/38/59/570913859.db2.gz PIQBPVOJQVSYIJ-RBUKOAKNSA-N -1 3 394.468 2.283 50 0 GEAAHM CC[C@@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCc1ncc(-c2ccc(F)cc2)o1 ZINC000089942196 570920305 /nfs/dbraw/zinc/92/03/05/570920305.db2.gz YUOBEVNMUCAEDS-BDJLRTHQSA-N -1 3 384.429 2.488 50 0 GEAAHM Cc1ccc(CN2CCN(C)[C@@]3(C2)CCC(=O)N(CC(=O)[O-])CC3)c(C)c1F ZINC000091551649 571014338 /nfs/dbraw/zinc/01/43/38/571014338.db2.gz ZHHOWXJPCFUJID-NRFANRHFSA-N -1 3 391.487 2.026 50 0 GEAAHM CSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(F)c(Cl)c1)CC(=O)N2 ZINC000046073817 571018788 /nfs/dbraw/zinc/01/87/88/571018788.db2.gz UGBYUDARAFGOAO-ZETCQYMHSA-N -1 3 382.804 2.349 50 0 GEAAHM O=C(c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O)N1CCC[C@H]1CO ZINC000091768754 571029702 /nfs/dbraw/zinc/02/97/02/571029702.db2.gz YSTYKDLPTZSFEQ-JTQLQIEISA-N -1 3 382.247 2.264 50 0 GEAAHM C[C@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)CCO1 ZINC000011503799 571049254 /nfs/dbraw/zinc/04/92/54/571049254.db2.gz DHPDTTNNSZVPMF-VIFPVBQESA-N -1 3 393.292 2.295 50 0 GEAAHM COCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1c[n-]c3cc(Cl)ccc3c1=O)C2 ZINC000095355834 571051994 /nfs/dbraw/zinc/05/19/94/571051994.db2.gz SCWIBFWTRYTHGD-UKRRQHHQSA-N -1 3 389.883 2.364 50 0 GEAAHM CN1CCN([C@H]2CCN(C(=O)C3(c4ccccc4)CC3)C[C@H]2CCC(=O)[O-])CC1 ZINC000095369785 571060211 /nfs/dbraw/zinc/06/02/11/571060211.db2.gz DXTBWUVQQTUSMA-QUCCMNQESA-N -1 3 399.535 2.048 50 0 GEAAHM O=C(c1ncccc1[O-])N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095369169 571060328 /nfs/dbraw/zinc/06/03/28/571060328.db2.gz UZESNPKCNGIMSL-IWMITWMQSA-N -1 3 393.443 2.218 50 0 GEAAHM COc1ccc([C@H](C(=O)[O-])N2CCC(C(=O)N3CCCC3)CC2)c(OC)c1 ZINC000095369779 571060406 /nfs/dbraw/zinc/06/04/06/571060406.db2.gz RQWFKVZTBWNYSX-GOSISDBHSA-N -1 3 376.453 2.164 50 0 GEAAHM CN(Cc1cccnc1)[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CCOCC2)cc1 ZINC000095388497 571071543 /nfs/dbraw/zinc/07/15/43/571071543.db2.gz BTZOBWYQQPCUSN-GOSISDBHSA-N -1 3 384.436 2.203 50 0 GEAAHM O=C(c1[n-]c(=O)nc2ccccc21)N1CCN(c2nc3ccccc3o2)CC1 ZINC000426477287 231224248 /nfs/dbraw/zinc/22/42/48/231224248.db2.gz WCMJWYOHLQYPSG-UHFFFAOYSA-N -1 3 375.388 2.439 50 0 GEAAHM O=C([O-])[C@H](CC(=O)Nc1ccc(Br)cc1)NCc1cccnc1 ZINC000004330023 531513635 /nfs/dbraw/zinc/51/36/35/531513635.db2.gz FSUHHOQLQNTXTK-AWEZNQCLSA-N -1 3 378.226 2.416 50 0 GEAAHM Cn1cc(Br)c(C(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)n1 ZINC000000998586 531500378 /nfs/dbraw/zinc/50/03/78/531500378.db2.gz DZHGRMGZNAUJHL-JMCQJSRRSA-N -1 3 395.179 2.436 50 0 GEAAHM COC(=O)[C@@]([O-])(CC(=O)Nc1cc(OC)c(Cl)cc1OC)C(F)(F)F ZINC000002760800 531506041 /nfs/dbraw/zinc/50/60/41/531506041.db2.gz TXJGIGPHBJKLTL-ZDUSSCGKSA-N -1 3 385.722 2.152 50 0 GEAAHM CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCc1ccco1 ZINC000003447592 531507446 /nfs/dbraw/zinc/50/74/46/531507446.db2.gz NTJUKLYUWIGXMJ-CQSZACIVSA-N -1 3 386.470 2.135 50 0 GEAAHM Cc1cc(OCc2nc(SCC(=O)N3CCOCC3)n[n-]2)ccc1Cl ZINC000006062103 531520344 /nfs/dbraw/zinc/52/03/44/531520344.db2.gz WDMBZNFNWBCWNJ-UHFFFAOYSA-N -1 3 382.873 2.296 50 0 GEAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)[C@H](C)Cn2cc(Br)cn2)N1 ZINC000006394936 531526363 /nfs/dbraw/zinc/52/63/63/531526363.db2.gz JFMBHUSBMWUNAN-HQJQHLMTSA-N -1 3 383.168 2.141 50 0 GEAAHM O=S(=O)([N-]C[C@H](c1ccsc1)N1CCOCC1)c1ccc(F)cc1F ZINC000022767342 531592001 /nfs/dbraw/zinc/59/20/01/531592001.db2.gz SQULWEBCIVLYRI-OAHLLOKOSA-N -1 3 388.461 2.378 50 0 GEAAHM CC(C)c1csc([N-]C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)n1 ZINC000032816397 531657486 /nfs/dbraw/zinc/65/74/86/531657486.db2.gz VKDCWXAKFFTERZ-UHFFFAOYSA-N -1 3 385.467 2.133 50 0 GEAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCNC(=O)C3)c(Cl)c2)cc1 ZINC000041615950 531665619 /nfs/dbraw/zinc/66/56/19/531665619.db2.gz YBZLGISNYXZNSR-UHFFFAOYSA-N -1 3 379.869 2.385 50 0 GEAAHM CC1CCC(NC(=O)C[S@@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)CC1 ZINC000155322292 531673585 /nfs/dbraw/zinc/67/35/85/531673585.db2.gz VECPLMKHTMLMCQ-ZFIFMYTKSA-N -1 3 379.404 2.145 50 0 GEAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCN(c2ccccc2)C1=O ZINC000096396144 531934634 /nfs/dbraw/zinc/93/46/34/531934634.db2.gz QVGWGSWJAJQRGN-CQSZACIVSA-N -1 3 380.853 2.432 50 0 GEAAHM O=S(=O)([N-]CC1CCN([C@H]2CCSC2)CC1)c1c(F)cccc1F ZINC000225572812 532487844 /nfs/dbraw/zinc/48/78/44/532487844.db2.gz ZDWIECLPONWUDZ-ZDUSSCGKSA-N -1 3 376.494 2.461 50 0 GEAAHM Cn1cccc1-c1noc(C[N-]S(=O)(=O)c2ccc(Br)cc2)n1 ZINC000225767377 532488361 /nfs/dbraw/zinc/48/83/61/532488361.db2.gz KAVSIJBGTISFDI-UHFFFAOYSA-N -1 3 397.254 2.316 50 0 GEAAHM COC(=O)C1C(C)=Nc2ncnn2[C@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000000955848 212200123 /nfs/dbraw/zinc/20/01/23/212200123.db2.gz KMAJGYDWRHHTEM-LBPRGKRZSA-N -1 3 395.213 2.217 50 0 GEAAHM Cc1nn(CC(=O)N2NC(C)=C[C@@]2([O-])C(F)(F)F)c(C)c1Br ZINC000000653436 212169777 /nfs/dbraw/zinc/16/97/77/212169777.db2.gz CQINLJFZKJWGRG-LLVKDONJSA-N -1 3 383.168 2.122 50 0 GEAAHM CC(C)c1nc(S(=O)(=O)[N-]C[C@](O)(c2ccsc2)c2ccco2)cn1C ZINC000253472206 212137349 /nfs/dbraw/zinc/13/73/49/212137349.db2.gz KDAQKBWAKSNPRA-KRWDZBQOSA-N -1 3 395.506 2.412 50 0 GEAAHM CC(C)n1cnc(S(=O)(=O)[N-]C[C@@](O)(c2ccoc2)c2cccs2)c1 ZINC000244986119 212133379 /nfs/dbraw/zinc/13/33/79/212133379.db2.gz JGVISKFBYPSPPG-MRXNPFEDSA-N -1 3 381.479 2.333 50 0 GEAAHM COC(=O)c1ccccc1NC(=O)[C@H](CC(=O)[O-])N[C@H]1CCO[C@H](C(C)C)C1 ZINC000004043932 220673580 /nfs/dbraw/zinc/67/35/80/220673580.db2.gz DUUDWMCVSQHQFB-JQFCIGGWSA-N -1 3 392.452 2.048 50 0 GEAAHM O=C(CCc1ccncc1)N1CCC[C@H](C[N-]S(=O)(=O)c2cccs2)C1 ZINC000012320382 221181415 /nfs/dbraw/zinc/18/14/15/221181415.db2.gz DTWFMNSDSYINJV-MRXNPFEDSA-N -1 3 393.534 2.293 50 0 GEAAHM Cc1cc(-c2nnc([N-]C(=O)c3cccc(S(=O)(=O)C(C)C)c3)o2)nn1C ZINC000012443120 221195364 /nfs/dbraw/zinc/19/53/64/221195364.db2.gz YTMXCRRKXUXYJK-UHFFFAOYSA-N -1 3 389.437 2.213 50 0 GEAAHM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccccc3)n2)cc1OC ZINC000012653838 221217268 /nfs/dbraw/zinc/21/72/68/221217268.db2.gz DAAGOAKITGVFTE-UHFFFAOYSA-N -1 3 375.406 2.232 50 0 GEAAHM Cc1cccc(OCCOC(=O)[C@@H](C)[N-]S(=O)(=O)c2ccccc2F)c1 ZINC000012798716 221234008 /nfs/dbraw/zinc/23/40/08/221234008.db2.gz GVBHCEMRIWOKMA-CQSZACIVSA-N -1 3 381.425 2.423 50 0 GEAAHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)OCc1csc(-c2ccc(Cl)cc2)n1 ZINC000012792231 221232960 /nfs/dbraw/zinc/23/29/60/221232960.db2.gz ACNOQZYUADJWJE-LBPRGKRZSA-N -1 3 379.825 2.495 50 0 GEAAHM COc1ccc(C(=O)NCc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000013722828 221284141 /nfs/dbraw/zinc/28/41/41/221284141.db2.gz SWQROMHXTCJITG-UHFFFAOYSA-N -1 3 375.388 2.047 50 0 GEAAHM CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2C)cc1 ZINC000013850608 221292144 /nfs/dbraw/zinc/29/21/44/221292144.db2.gz UWPJRJXRURQILX-UHFFFAOYSA-N -1 3 375.450 2.043 50 0 GEAAHM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1ccccc1Cl ZINC000014207020 221304858 /nfs/dbraw/zinc/30/48/58/221304858.db2.gz ZMLWOCICIXNXAB-UHFFFAOYSA-N -1 3 376.844 2.140 50 0 GEAAHM O=C(Cn1[n-]c(=O)c2ccccc2c1=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000014244376 221307179 /nfs/dbraw/zinc/30/71/79/221307179.db2.gz CMIOEEVIKQKNBZ-OAHLLOKOSA-N -1 3 385.420 2.182 50 0 GEAAHM COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2ccc(F)cc2F)c1 ZINC000014246906 221307216 /nfs/dbraw/zinc/30/72/16/221307216.db2.gz GBEGLEDBKQKIQZ-UHFFFAOYSA-N -1 3 385.344 2.339 50 0 GEAAHM CCOC(=O)C[N-]S(=O)(=O)c1c(-c2ccccc2)csc1C(=O)OC ZINC000017297049 221382659 /nfs/dbraw/zinc/38/26/59/221382659.db2.gz YCPDPAUDLOOLOT-UHFFFAOYSA-N -1 3 383.447 2.043 50 0 GEAAHM C[C@@]1(c2ccc(NC(=O)c3cccnc3N3CCCCC3)cc2)NC(=O)[N-]C1=O ZINC000069507735 136165161 /nfs/dbraw/zinc/16/51/61/136165161.db2.gz VLILLAMJEQIPHA-NRFANRHFSA-N -1 3 393.447 2.379 50 0 GEAAHM O=c1c2cccnc2[n-]c(=S)n1CCCN1CCN(c2ccccc2F)CC1 ZINC000020618237 136202941 /nfs/dbraw/zinc/20/29/41/136202941.db2.gz VAYJZGDCJARUMW-UHFFFAOYSA-N -1 3 399.495 2.432 50 0 GEAAHM COc1cc(OC)cc([C@@H]2[C@H](S(=O)(=O)[N-]C3CCCCC3)CON2C)c1 ZINC000037553355 221873655 /nfs/dbraw/zinc/87/36/55/221873655.db2.gz BVIWHDWDIXLYFS-QZTJIDSGSA-N -1 3 384.498 2.243 50 0 GEAAHM C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1nc(-c2cccc3ccccc32)n[n-]1 ZINC000058167536 222042636 /nfs/dbraw/zinc/04/26/36/222042636.db2.gz SGWKKCXMISFKHU-GFCCVEGCSA-N -1 3 375.388 2.397 50 0 GEAAHM COCC[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000058341426 222048888 /nfs/dbraw/zinc/04/88/88/222048888.db2.gz OMSVSJAQWQYOAO-UHFFFAOYSA-N -1 3 377.285 2.497 50 0 GEAAHM O=S(=O)([N-]c1ccccc1Br)c1cccc(-n2cnnn2)c1 ZINC000060060204 222057574 /nfs/dbraw/zinc/05/75/74/222057574.db2.gz YBKAYXLZTFWQSR-UHFFFAOYSA-N -1 3 380.227 2.226 50 0 GEAAHM C[C@@H](CCc1ccccc1)NS(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2 ZINC000067772830 222158775 /nfs/dbraw/zinc/15/87/75/222158775.db2.gz SVTAJHGGUWAVIO-LBPRGKRZSA-N -1 3 394.518 2.392 50 0 GEAAHM O=C(c1cc(COc2ccccc2)[nH]n1)N1CCC[C@@H](c2cc(=O)[n-]cn2)C1 ZINC000067973855 222169316 /nfs/dbraw/zinc/16/93/16/222169316.db2.gz BJNVJOKWCVOUKR-CQSZACIVSA-N -1 3 379.420 2.092 50 0 GEAAHM O=C(c1cc(COc2ccccc2)n[nH]1)N1CCC[C@@H](c2cc(=O)[n-]cn2)C1 ZINC000067973855 222169318 /nfs/dbraw/zinc/16/93/18/222169318.db2.gz BJNVJOKWCVOUKR-CQSZACIVSA-N -1 3 379.420 2.092 50 0 GEAAHM CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)Nc1cc(F)ccc1[O-])CO2 ZINC000071751987 222192157 /nfs/dbraw/zinc/19/21/57/222192157.db2.gz HSBJDWVBLASPLZ-CQSZACIVSA-N -1 3 387.411 2.459 50 0 GEAAHM CN(C)c1nc2c(c(=O)[n-]1)CCN(C(=O)C1(c3ccc(Cl)cc3)CCC1)C2 ZINC000072138884 222211033 /nfs/dbraw/zinc/21/10/33/222211033.db2.gz LUDQNVUYINQMMW-UHFFFAOYSA-N -1 3 386.883 2.496 50 0 GEAAHM Cc1nn(C)c(C)c1CNC(=O)COc1cc([O-])c2c(c1)OC(C)(C)CC2=O ZINC000072326174 222227925 /nfs/dbraw/zinc/22/79/25/222227925.db2.gz MMNZDCJDEBMESN-UHFFFAOYSA-N -1 3 387.436 2.182 50 0 GEAAHM O=C([O-])[C@@H]1CC2(CN1C(=O)C1CC1)CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000072468156 222263180 /nfs/dbraw/zinc/26/31/80/222263180.db2.gz DNHBSYBSUCWTMX-INIZCTEOSA-N -1 3 386.448 2.093 50 0 GEAAHM O=C(c1cccc([O-])c1)N1CCN(Cc2ccc(F)c(F)c2)[C@@H](CCO)C1 ZINC000072475565 222264233 /nfs/dbraw/zinc/26/42/33/222264233.db2.gz WTWVBFOPVXUOHR-INIZCTEOSA-N -1 3 376.403 2.379 50 0 GEAAHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc2c(c1)OCO2 ZINC000077184576 222274024 /nfs/dbraw/zinc/27/40/24/222274024.db2.gz OADZWJWQRQQYCZ-CQSZACIVSA-N -1 3 375.855 2.316 50 0 GEAAHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](c1cn(C)c2ccccc12)N(C)C ZINC000077171684 222274259 /nfs/dbraw/zinc/27/42/59/222274259.db2.gz ODBRVOJIGXPKGT-QGZVFWFLSA-N -1 3 376.482 2.364 50 0 GEAAHM Cc1noc(C)c1S(=O)(=O)[N-]CCn1nc(C(F)(F)F)c2c1CCCC2 ZINC000096121568 222384199 /nfs/dbraw/zinc/38/41/99/222384199.db2.gz PSDFRLFPIQZFLV-UHFFFAOYSA-N -1 3 392.403 2.364 50 0 GEAAHM Cc1noc(C)c1S(=O)(=O)[N-]CCn1nc(-c2ccccn2)cc1C1CC1 ZINC000096121743 222384419 /nfs/dbraw/zinc/38/44/19/222384419.db2.gz XQXQGGFVJNUYAA-UHFFFAOYSA-N -1 3 387.465 2.406 50 0 GEAAHM O=C(NCCc1cnn[n-]1)c1cccn(Cc2c(Cl)cccc2Cl)c1=O ZINC000426597148 534497645 /nfs/dbraw/zinc/49/76/45/534497645.db2.gz AFECJBXDBXGOJB-UHFFFAOYSA-N -1 3 392.246 2.294 50 0 GEAAHM CCCc1cnc(C)nc1N1CC[C@H](N2CCN(C)CC2)[C@H](CCC(=O)[O-])C1 ZINC000091643873 535436462 /nfs/dbraw/zinc/43/64/62/535436462.db2.gz AELKHZMZSBMGDU-MOPGFXCFSA-N -1 3 389.544 2.045 50 0 GEAAHM O=S(=O)([N-]C[C@H](c1cccs1)N1CCOCC1)c1ccc(F)c(F)c1 ZINC000032513600 570219702 /nfs/dbraw/zinc/21/97/02/570219702.db2.gz SPFZOIJSBKGTMP-OAHLLOKOSA-N -1 3 388.461 2.378 50 0 GEAAHM Cc1nc(C)c(CC(=O)NCc2cccc(OCc3ccccn3)c2)c(=O)[n-]1 ZINC000048264257 570225236 /nfs/dbraw/zinc/22/52/36/570225236.db2.gz UXXDKHHDHPEVIY-UHFFFAOYSA-N -1 3 378.432 2.220 50 0 GEAAHM Cc1ccc2oc(N3CCN(C(=O)CCc4c(C)nc(C)[n-]c4=O)CC3)nc2c1 ZINC000112264397 570253300 /nfs/dbraw/zinc/25/33/00/570253300.db2.gz BMCBBNCJRBUDKD-UHFFFAOYSA-N -1 3 395.463 2.118 50 0 GEAAHM Cc1c([O-])ccc(C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1O ZINC000022468344 570317991 /nfs/dbraw/zinc/31/79/91/570317991.db2.gz JVLLLIIRUKOZOH-UHFFFAOYSA-N -1 3 384.432 2.135 50 0 GEAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N(C)C)cc2)c(C)c1-n1cnnn1 ZINC000004411757 570374064 /nfs/dbraw/zinc/37/40/64/570374064.db2.gz ISGLFPCGUUVTSL-UHFFFAOYSA-N -1 3 386.481 2.454 50 0 GEAAHM O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000024149459 570379607 /nfs/dbraw/zinc/37/96/07/570379607.db2.gz IXTZVJMBZWJEBU-UHFFFAOYSA-N -1 3 392.415 2.464 50 0 GEAAHM Cc1ccc(Nc2nc(Oc3ccc(=O)[n-]n3)nc(N3CCOCC3)n2)cc1 ZINC000004619528 570388377 /nfs/dbraw/zinc/38/83/77/570388377.db2.gz NHTLHSJCJLIHIJ-UHFFFAOYSA-N -1 3 381.396 2.048 50 0 GEAAHM COc1ccc([C@H](CNC(=O)c2nc3ccccc3c(=O)[n-]2)N2CCCC2)cc1 ZINC000024761686 570392312 /nfs/dbraw/zinc/39/23/12/570392312.db2.gz SUIQLVYMFPYBNL-IBGZPJMESA-N -1 3 392.459 2.499 50 0 GEAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2cc(-c3ccc4c(c3)OCO4)n[nH]2)N1 ZINC000006394486 570403894 /nfs/dbraw/zinc/40/38/94/570403894.db2.gz YBYLROFYKKISKK-OAHLLOKOSA-N -1 3 382.298 2.278 50 0 GEAAHM CC(C)CCNC(=O)[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(C)C ZINC000005067971 570410515 /nfs/dbraw/zinc/41/05/15/570410515.db2.gz PUVQIIPZPVNYHQ-AWEZNQCLSA-N -1 3 384.527 2.157 50 0 GEAAHM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000005075751 570411612 /nfs/dbraw/zinc/41/16/12/570411612.db2.gz QCEAEOFGQPXODI-UHFFFAOYSA-N -1 3 382.463 2.036 50 0 GEAAHM O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)[N-]C1=NCCS1 ZINC000006553514 570476250 /nfs/dbraw/zinc/47/62/50/570476250.db2.gz ZTSTZKZLGNILSV-UHFFFAOYSA-N -1 3 389.502 2.097 50 0 GEAAHM O=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000030660541 570493503 /nfs/dbraw/zinc/49/35/03/570493503.db2.gz ZUIDMYQRKMRMNU-UHFFFAOYSA-N -1 3 376.416 2.381 50 0 GEAAHM CCCN(CCC)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(COC)o2)cc1 ZINC000002720192 570508437 /nfs/dbraw/zinc/50/84/37/570508437.db2.gz LOQBXHZXDXBYSM-UHFFFAOYSA-N -1 3 396.469 2.279 50 0 GEAAHM CCOC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)NCc1ccccc1Cl ZINC000005251689 570528761 /nfs/dbraw/zinc/52/87/61/570528761.db2.gz COYVOHKYVIMXCG-UHFFFAOYSA-N -1 3 395.868 2.317 50 0 GEAAHM Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)ccc3[O-])CC2)c(C)c1 ZINC000006969220 570722352 /nfs/dbraw/zinc/72/23/52/570722352.db2.gz ZPAOMRBOGTUJDV-UHFFFAOYSA-N -1 3 388.489 2.464 50 0 GEAAHM C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)NC[C@H]1CCCO1 ZINC000032668009 570731961 /nfs/dbraw/zinc/73/19/61/570731961.db2.gz RWKXCIKUCFMZRZ-TZMCWYRMSA-N -1 3 399.476 2.297 50 0 GEAAHM O=C(c1ccc2c(c1)OCO2)N1CCc2c(=O)[n-]c(-c3ccccc3)nc2C1 ZINC000065260203 570762204 /nfs/dbraw/zinc/76/22/04/570762204.db2.gz UBNKANATWNVMEH-UHFFFAOYSA-N -1 3 375.384 2.364 50 0 GEAAHM Cc1ccc(NC(=O)[C@H](OC(=O)CC[C@@H]2NC(=O)[N-]C2=O)c2ccccc2)cc1 ZINC000007093419 570788140 /nfs/dbraw/zinc/78/81/40/570788140.db2.gz JWRWQZBKNUOENY-FUHWJXTLSA-N -1 3 395.415 2.206 50 0 GEAAHM COc1ccc(C2=NOC3=C([O-])N(c4ccc(C(C)=O)cc4)C(=O)[C@H]23)c(OC)c1 ZINC000101241290 570817658 /nfs/dbraw/zinc/81/76/58/570817658.db2.gz RCACTWXMDCYTNJ-MJGOQNOKSA-N -1 3 394.383 2.199 50 0 GEAAHM COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000031618420 570818395 /nfs/dbraw/zinc/81/83/95/570818395.db2.gz UFJLJRGQYVHYJS-UHFFFAOYSA-N -1 3 397.840 2.258 50 0 GEAAHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000032802955 570821511 /nfs/dbraw/zinc/82/15/11/570821511.db2.gz FGMUQRQOSNKZSX-UHFFFAOYSA-N -1 3 398.492 2.321 50 0 GEAAHM Nc1nc([O-])c([C@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)s1 ZINC000101485544 570824391 /nfs/dbraw/zinc/82/43/91/570824391.db2.gz ZESNDHYVMVOCKT-KSSFIOAISA-N -1 3 387.848 2.031 50 0 GEAAHM O=C(NCc1ccc2c(c1)OCO2)C(=C([O-])c1ccccc1)n1ccccc1=O ZINC000004679810 570825874 /nfs/dbraw/zinc/82/58/74/570825874.db2.gz GHCMEDNVSDBKNG-HXUWFJFHSA-N -1 3 390.395 2.317 50 0 GEAAHM O=S(=O)([N-]CC1CCN(c2ncc(F)cn2)CC1)c1ccc(F)c(F)c1 ZINC000252484184 570968729 /nfs/dbraw/zinc/96/87/29/570968729.db2.gz FQQDIWIXTBGWCY-UHFFFAOYSA-N -1 3 386.399 2.089 50 0 GEAAHM Cc1c([C@H](C)NC(=O)c2cc(=O)[n-]c(=O)[nH]2)cnn1-c1cccc2ccccc21 ZINC000091535597 571013333 /nfs/dbraw/zinc/01/33/33/571013333.db2.gz NXRYCTDUZCJVRB-LBPRGKRZSA-N -1 3 389.415 2.202 50 0 GEAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1OC)CC(=O)N2 ZINC000046074148 571019526 /nfs/dbraw/zinc/01/95/26/571019526.db2.gz UPORFKKVSJWSAZ-SNVBAGLBSA-N -1 3 388.449 2.345 50 0 GEAAHM Cc1cc(F)cc([C@@H](C(=O)[O-])N2CCC(C(N)=O)(N3CCCCC3)CC2)c1 ZINC000095352475 571050020 /nfs/dbraw/zinc/05/00/20/571050020.db2.gz MVDNNGYELOWINV-KRWDZBQOSA-N -1 3 377.460 2.066 50 0 GEAAHM COc1cccc([C@H](C(=O)[O-])N2CCC(C(=O)N3CCCC3)CC2)c1OC ZINC000095361291 571055724 /nfs/dbraw/zinc/05/57/24/571055724.db2.gz BXQAOSMXQMSCDP-QGZVFWFLSA-N -1 3 376.453 2.164 50 0 GEAAHM CC(C)CCn1cc([C@H](C(=O)[O-])N2CCC(CN3CCOCC3)CC2)cn1 ZINC000095388009 571071227 /nfs/dbraw/zinc/07/12/27/571071227.db2.gz CGCASDWWUSMURW-LJQANCHMSA-N -1 3 378.517 2.099 50 0 GEAAHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1c[nH]cc(Br)c1=O ZINC000095446475 643088125 /nfs/dbraw/zinc/08/81/25/643088125.db2.gz JNHNFXHODQRBEK-UHFFFAOYSA-N -1 3 381.230 2.079 50 0 GEAAHM CCOC(=O)[C@@]([O-])(NNc1ncc(C(F)(F)F)cc1Cl)C(F)(F)F ZINC000004002201 531511153 /nfs/dbraw/zinc/51/11/53/531511153.db2.gz OEAVPICZCAYERS-VIFPVBQESA-N -1 3 381.660 2.484 50 0 GEAAHM Cn1cc(Br)c(C(=O)N2NC3=C(CCCC3)[C@]2([O-])C(F)(F)F)n1 ZINC000000998584 531500812 /nfs/dbraw/zinc/50/08/12/531500812.db2.gz DZHGRMGZNAUJHL-KRTXAFLBSA-N -1 3 395.179 2.436 50 0 GEAAHM Cn1cc(Br)c(C(=O)N2NC3=C(CCCC3)[C@]2([O-])C(F)(F)F)n1 ZINC000000998583 531501066 /nfs/dbraw/zinc/50/10/66/531501066.db2.gz DZHGRMGZNAUJHL-MADCSZMMSA-N -1 3 395.179 2.436 50 0 GEAAHM Cc1nonc1[N-]C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000002616953 531502262 /nfs/dbraw/zinc/50/22/62/531502262.db2.gz QNEUQPLJFNRBRA-UHFFFAOYSA-N -1 3 384.845 2.458 50 0 GEAAHM O=C(C[N-]S(=O)(=O)c1cccs1)Nc1ccc(Br)cc1 ZINC000006725149 531532247 /nfs/dbraw/zinc/53/22/47/531532247.db2.gz DFNPGASJMBBHLA-UHFFFAOYSA-N -1 3 375.269 2.428 50 0 GEAAHM [O-]c1c([C@H](c2cccs2)N2CCC3(CC2)OCCO3)sc2ncnn12 ZINC000022610156 531592657 /nfs/dbraw/zinc/59/26/57/531592657.db2.gz OFTZQJACIBITLP-LBPRGKRZSA-N -1 3 378.479 2.486 50 0 GEAAHM COc1ccc([C@@H](C[N-]S(=O)(=O)c2cccs2)N2CCOCC2)cc1 ZINC000023977888 531601196 /nfs/dbraw/zinc/60/11/96/531601196.db2.gz GBFIKSJGHOZYHR-MRXNPFEDSA-N -1 3 382.507 2.109 50 0 GEAAHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)N1CCOCC1 ZINC000024681706 531606647 /nfs/dbraw/zinc/60/66/47/531606647.db2.gz PSKXDRPXXYVVOK-SNVBAGLBSA-N -1 3 386.823 2.358 50 0 GEAAHM COc1ccc(CN(C(=O)C[N-]S(=O)(=O)c2cccs2)C2CC2)cc1 ZINC000024651788 531606739 /nfs/dbraw/zinc/60/67/39/531606739.db2.gz GBRGPELEFHBISE-UHFFFAOYSA-N -1 3 380.491 2.226 50 0 GEAAHM CN(C(=O)C[S@@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1)C1CCCCC1 ZINC000155273679 531670437 /nfs/dbraw/zinc/67/04/37/531670437.db2.gz UWBUCFYQRDUIBK-RUZDIDTESA-N -1 3 379.404 2.241 50 0 GEAAHM O=C(Cc1cccc(C(F)(F)F)c1)NCC[N-]S(=O)(=O)c1cccs1 ZINC000089774532 531923556 /nfs/dbraw/zinc/92/35/56/531923556.db2.gz NVCFXHCKAHZPFC-UHFFFAOYSA-N -1 3 392.424 2.404 50 0 GEAAHM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000001425379 212243398 /nfs/dbraw/zinc/24/33/98/212243398.db2.gz GJDOLRRTUSLLHJ-UHFFFAOYSA-N -1 3 384.454 2.257 50 0 GEAAHM C[C@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@H](C)N1 ZINC000001271086 212233638 /nfs/dbraw/zinc/23/36/38/212233638.db2.gz DZZWHBIBMUVIIW-IUCAKERBSA-N -1 3 392.406 2.082 50 0 in-man GEAAHM O=S(=O)(Cc1noc2ccccc21)[N-][C@@H](Cn1nccn1)c1ccccc1 ZINC000253395911 212136140 /nfs/dbraw/zinc/13/61/40/212136140.db2.gz CSRQLBBMQSQYHJ-INIZCTEOSA-N -1 3 383.433 2.280 50 0 GEAAHM Cc1cc(=NC(=O)CCc2c[nH]c3ccccc23)n([C@H]2CCS(=O)(=O)C2)[n-]1 ZINC000334159390 212118464 /nfs/dbraw/zinc/11/84/64/212118464.db2.gz WCMGPWTWZXLRMF-HNNXBMFYSA-N -1 3 386.477 2.026 50 0 GEAAHM Cc1cc2oc(=O)cc(COC(=O)CC[C@@H]3NC(=O)[N-]C3=O)c2cc1C(C)C ZINC000007814132 221013867 /nfs/dbraw/zinc/01/38/67/221013867.db2.gz AYMNHUSEIOJABZ-HNNXBMFYSA-N -1 3 386.404 2.256 50 0 GEAAHM CN(C)C(=O)CNC(=O)CSc1nnc([N-]c2ccccc2Cl)s1 ZINC000008884598 221062439 /nfs/dbraw/zinc/06/24/39/221062439.db2.gz KCWULNLXJGKEDM-UHFFFAOYSA-N -1 3 385.902 2.232 50 0 GEAAHM CCCn1c2ccccc2nc1NC(=O)Cn1[n-]c(=O)c2ccccc2c1=O ZINC000010652610 221106129 /nfs/dbraw/zinc/10/61/29/221106129.db2.gz WDXLEDUAMACQET-UHFFFAOYSA-N -1 3 377.404 2.088 50 0 GEAAHM Cc1c([O-])ccc2c(COC(=O)Cc3n[nH]c(=O)c4ccccc34)cc(=O)oc12 ZINC000010912253 221108220 /nfs/dbraw/zinc/10/82/20/221108220.db2.gz XGLDRTAIDDRSJU-UHFFFAOYSA-N -1 3 392.367 2.329 50 0 GEAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2C)cc1 ZINC000011858108 221133112 /nfs/dbraw/zinc/13/31/12/221133112.db2.gz IMFVVJWDINDDDL-UHFFFAOYSA-N -1 3 394.474 2.171 50 0 GEAAHM Cn1c(=O)cc(CSc2nnc([N-]c3ccccc3F)s2)n(C)c1=O ZINC000011233237 221113839 /nfs/dbraw/zinc/11/38/39/221113839.db2.gz QQPLTWOJRMVQAH-UHFFFAOYSA-N -1 3 379.442 2.111 50 0 GEAAHM Cc1ccc([O-])c(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c1 ZINC000011450159 221115609 /nfs/dbraw/zinc/11/56/09/221115609.db2.gz GCSLTROOGCHVDR-UHFFFAOYSA-N -1 3 380.491 2.345 50 0 GEAAHM COc1cc2c(cc1OC)CN(C(=O)c1ccc([N-]S(C)(=O)=O)cc1)CC2 ZINC000011660756 221119023 /nfs/dbraw/zinc/11/90/23/221119023.db2.gz VXYPNZPSXLHLLZ-UHFFFAOYSA-N -1 3 390.461 2.274 50 0 GEAAHM C[C@@H](Oc1ccccc1)C(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000012321820 221181821 /nfs/dbraw/zinc/18/18/21/221181821.db2.gz MUTPXWQRFCWUJG-CQSZACIVSA-N -1 3 389.415 2.193 50 0 GEAAHM C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)COc2ccc(F)cc2Cl)C1=O ZINC000012587720 221211329 /nfs/dbraw/zinc/21/13/29/221211329.db2.gz YMXVYGFLJVXOGL-SFHVURJKSA-N -1 3 391.786 2.356 50 0 GEAAHM C[N-]S(=O)(=O)c1cc(C(=O)NCCc2nc3ccccc3[nH]2)ccc1Cl ZINC000012820145 221237583 /nfs/dbraw/zinc/23/75/83/221237583.db2.gz WVUKXFSNSRZXQP-UHFFFAOYSA-N -1 3 392.868 2.097 50 0 GEAAHM COc1ccccc1NC(=O)[C@H](C)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000012978626 221251289 /nfs/dbraw/zinc/25/12/89/221251289.db2.gz FDTRTRNSWBOGNB-HNNXBMFYSA-N -1 3 383.448 2.186 50 0 GEAAHM CC(=O)Nc1ccc(NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000014083614 221298214 /nfs/dbraw/zinc/29/82/14/221298214.db2.gz RHYDUJVSEADOMF-UHFFFAOYSA-N -1 3 379.413 2.091 50 0 GEAAHM COc1ccccc1CNC(=O)CSc1nc2nc(C)cc(C)c2c(=O)[n-]1 ZINC000014354405 221308847 /nfs/dbraw/zinc/30/88/47/221308847.db2.gz OIESHGKSCAKHGN-UHFFFAOYSA-N -1 3 384.461 2.352 50 0 GEAAHM Cc1ccc(S(C)(=O)=O)cc1C(=O)OCC(=O)[N-]c1cc(C(C)(C)C)no1 ZINC000014634061 221313152 /nfs/dbraw/zinc/31/31/52/221313152.db2.gz QKSVPTXVWBMUMA-UHFFFAOYSA-N -1 3 394.449 2.480 50 0 GEAAHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)OCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000019001362 221393979 /nfs/dbraw/zinc/39/39/79/221393979.db2.gz NHWWGZNAZCSKPX-INIZCTEOSA-N -1 3 393.484 2.012 50 0 GEAAHM Cc1nc(N2CCC(C)CC2)ncc1-c1cc(=O)[n-]c(NC[C@H]2CCCO2)n1 ZINC000039383705 132390874 /nfs/dbraw/zinc/39/08/74/132390874.db2.gz MQJXWVXLGXGXMQ-OAHLLOKOSA-N -1 3 384.484 2.363 50 0 GEAAHM CN1CCN(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)CC1 ZINC000007109195 136195168 /nfs/dbraw/zinc/19/51/68/136195168.db2.gz DBHYSVQEVWWUFW-UHFFFAOYSA-N -1 3 389.477 2.010 50 0 GEAAHM O=S(=O)([N-]C[C@@H](c1cccs1)N1CCOCC1)c1ccc(F)c(F)c1 ZINC000032513601 221721812 /nfs/dbraw/zinc/72/18/12/221721812.db2.gz SPFZOIJSBKGTMP-HNNXBMFYSA-N -1 3 388.461 2.378 50 0 GEAAHM CC(C)(C)NC(=O)CSc1nc2[n-]ncc2c(=O)n1-c1ccc(F)c(F)c1 ZINC000051316822 222004869 /nfs/dbraw/zinc/00/48/69/222004869.db2.gz QNXVKMOBAXEBEU-UHFFFAOYSA-N -1 3 393.419 2.394 50 0 GEAAHM CC(C)(C)NC(=O)CSc1nc2n[n-]cc2c(=O)n1-c1ccc(F)c(F)c1 ZINC000051316822 222004873 /nfs/dbraw/zinc/00/48/73/222004873.db2.gz QNXVKMOBAXEBEU-UHFFFAOYSA-N -1 3 393.419 2.394 50 0 GEAAHM O=C([N-]c1ccc2c(c1)OCO2)c1nc(-c2cn(-c3ccccc3)nn2)no1 ZINC000065236616 222112408 /nfs/dbraw/zinc/11/24/08/222112408.db2.gz UYVWUEBOYYSEIR-UHFFFAOYSA-N -1 3 376.332 2.298 50 0 GEAAHM COCCNS(=O)(=O)c1cc(C(=O)[O-])cc(-c2ccc(CN(C)C)cc2)c1 ZINC000071747384 222189159 /nfs/dbraw/zinc/18/91/59/222189159.db2.gz NWCXCHXRFRMECJ-UHFFFAOYSA-N -1 3 392.477 2.038 50 0 GEAAHM O=C([O-])c1cn(C2CC2)c2c([O-])c(N3C[C@@H]4CCC[NH2+][C@@H]4C3)c(F)cc2c1=O ZINC000065742956 222134862 /nfs/dbraw/zinc/13/48/62/222134862.db2.gz IRASTQSQRDRSEH-ZUZCIYMTSA-N -1 3 387.411 2.068 50 0 in-vitro GEAAHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NC2CCC(O)CC2)ccc1Cl ZINC000066061197 222136417 /nfs/dbraw/zinc/13/64/17/222136417.db2.gz GXPNJUFTPAVVAW-UHFFFAOYSA-N -1 3 388.917 2.450 50 0 GEAAHM Cc1ccc(F)cc1CNS(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2 ZINC000067884930 222165918 /nfs/dbraw/zinc/16/59/18/222165918.db2.gz YHQKLVWHJAFICA-UHFFFAOYSA-N -1 3 384.454 2.018 50 0 GEAAHM Cc1nc2c(c(=O)[n-]1)CCN(C(=O)c1cc3c(C(F)(F)F)nn(C)c3s1)C2 ZINC000071762051 222193345 /nfs/dbraw/zinc/19/33/45/222193345.db2.gz PYQMBXIFELVQON-UHFFFAOYSA-N -1 3 397.382 2.244 50 0 GEAAHM O=C(c1ccc([O-])cn1)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000072124251 222208842 /nfs/dbraw/zinc/20/88/42/222208842.db2.gz XVZJGBULMWPPLN-MRXNPFEDSA-N -1 3 384.455 2.353 50 0 GEAAHM O=C([O-])COc1ccc(Br)cc1CNCCCN1CCCC1=O ZINC000072243032 222218596 /nfs/dbraw/zinc/21/85/96/222218596.db2.gz LOEDHUVYGJTLTJ-UHFFFAOYSA-N -1 3 385.258 2.015 50 0 GEAAHM CC(C)n1ccnc1[C@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cc2[O-])C1 ZINC000095512066 222342042 /nfs/dbraw/zinc/34/20/42/222342042.db2.gz NYAOUPYQCSWCQS-AWEZNQCLSA-N -1 3 381.440 2.165 50 0 GEAAHM O=S(=O)([N-]C[C@H]1CCCN(CCn2cc(Cl)cn2)C1)c1cccs1 ZINC000095518627 222344342 /nfs/dbraw/zinc/34/43/42/222344342.db2.gz WJLGCWPGRZQPAX-CYBMUJFWSA-N -1 3 388.946 2.289 50 0 GEAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)cn(C)c2=O)c(F)c1 ZINC000079047537 222302045 /nfs/dbraw/zinc/30/20/45/222302045.db2.gz BCQXUKOBMDAAIR-UHFFFAOYSA-N -1 3 375.219 2.396 50 0 GEAAHM COC(=O)C[C@H](c1cc(OC)c2c(c1)OCCO2)c1oc(C)cc(=O)c1[O-] ZINC000096113961 222382271 /nfs/dbraw/zinc/38/22/71/222382271.db2.gz FBCQZQYHDFVFEU-GFCCVEGCSA-N -1 3 376.361 2.129 50 0 GEAAHM COCc1cc(=O)c([O-])c([C@@H](CC(=O)OC)c2ccc(OC)cc2OC)o1 ZINC000096115654 222383033 /nfs/dbraw/zinc/38/30/33/222383033.db2.gz RJNIUPUILDNLML-AWEZNQCLSA-N -1 3 378.377 2.204 50 0 GEAAHM CC(=O)N1C[C@H]2CN(Cc3[nH]c4c(cccc4Cl)c3C)C[C@@]2(C(=O)[O-])C1 ZINC000096138137 222385634 /nfs/dbraw/zinc/38/56/34/222385634.db2.gz NILWPWLIAHJYTK-BFUOFWGJSA-N -1 3 375.856 2.495 50 0 GEAAHM Cc1nc(C)c(CN2C[C@H]3CN(C(=O)C4CCCC4)C[C@@]3(C(=O)[O-])C2)s1 ZINC000096161947 222392923 /nfs/dbraw/zinc/39/29/23/222392923.db2.gz FPFDWBZMYAUJPT-KXBFYZLASA-N -1 3 377.510 2.295 50 0 GEAAHM COCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@H](/C=C/c1ccccc1)C3 ZINC000019962304 570233704 /nfs/dbraw/zinc/23/37/04/570233704.db2.gz SVUULNQBJDIYPZ-MVGZEHJDSA-N -1 3 391.427 2.190 50 0 GEAAHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)COC)cc2)cc1 ZINC000023144831 570346701 /nfs/dbraw/zinc/34/67/01/570346701.db2.gz NJNXRXZDLMXTFS-UHFFFAOYSA-N -1 3 394.449 2.098 50 0 GEAAHM CSCC[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1ccccc1 ZINC000004909181 570361985 /nfs/dbraw/zinc/36/19/85/570361985.db2.gz NNRFMFODFFSMPP-AWEZNQCLSA-N -1 3 384.548 2.465 50 0 GEAAHM O=S(=O)([N-]CCc1nnc(Cc2cccc(F)c2)[nH]1)c1cc(F)cc(F)c1 ZINC000035509320 570379849 /nfs/dbraw/zinc/37/98/49/570379849.db2.gz YTFZKYZDBBTODX-UHFFFAOYSA-N -1 3 396.394 2.334 50 0 GEAAHM Cc1sc2[n-]c(COC(=O)Cc3n[nH]c(=O)c4ccccc34)nc(=O)c2c1C ZINC000008544338 570380683 /nfs/dbraw/zinc/38/06/83/570380683.db2.gz ZKOOXCFJETZHCK-UHFFFAOYSA-N -1 3 396.428 2.124 50 0 GEAAHM Cn1nc(C[N-]S(=O)(=O)Cc2cc(F)ccc2F)cc1-c1ccncc1 ZINC000090607112 570382789 /nfs/dbraw/zinc/38/27/89/570382789.db2.gz XJJONMDGVWIWOA-UHFFFAOYSA-N -1 3 378.404 2.380 50 0 GEAAHM COc1cc(CCNC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1OC(F)F ZINC000024380401 570383046 /nfs/dbraw/zinc/38/30/46/570383046.db2.gz SHROBWBYEJQMLH-UHFFFAOYSA-N -1 3 389.362 2.449 50 0 GEAAHM COc1cc(CCNC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1OC(F)F ZINC000024380401 570383050 /nfs/dbraw/zinc/38/30/50/570383050.db2.gz SHROBWBYEJQMLH-UHFFFAOYSA-N -1 3 389.362 2.449 50 0 GEAAHM CC(C)NC(=O)c1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000004809388 570407069 /nfs/dbraw/zinc/40/70/69/570407069.db2.gz RKYXNDINHRLIIT-UHFFFAOYSA-N -1 3 375.450 2.449 50 0 GEAAHM CCCn1c(=O)[n-]c(=O)c2cc(C(=O)N3CCCc4cc(OC)ccc43)cnc21 ZINC000043481834 570413224 /nfs/dbraw/zinc/41/32/24/570413224.db2.gz YPWOYFUCVCWHME-UHFFFAOYSA-N -1 3 394.431 2.096 50 0 GEAAHM O=C(OCc1nc2ccsc2c(=O)[n-]1)c1ccc(CN2CCCC2=O)cc1 ZINC000005089213 570414742 /nfs/dbraw/zinc/41/47/42/570414742.db2.gz AZGKJVRMHTYVHK-UHFFFAOYSA-N -1 3 383.429 2.464 50 0 GEAAHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(-n4cnnn4)cc3)nc(=O)c2c1C ZINC000006465709 570442909 /nfs/dbraw/zinc/44/29/09/570442909.db2.gz SIILVHZEMOTXTI-SNVBAGLBSA-N -1 3 396.432 2.495 50 0 GEAAHM C[C@@H](Sc1nc2ccccc2c(=O)[n-]1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000006506326 570459801 /nfs/dbraw/zinc/45/98/01/570459801.db2.gz PBOFKAWPQSCQLU-LLVKDONJSA-N -1 3 383.429 2.449 50 0 GEAAHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1C ZINC000006269340 570474755 /nfs/dbraw/zinc/47/47/55/570474755.db2.gz CTGSYBLNHHGLEM-UHFFFAOYSA-N -1 3 392.433 2.306 50 0 GEAAHM COc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c(OC(F)F)c1 ZINC000252484811 570475044 /nfs/dbraw/zinc/47/50/44/570475044.db2.gz GIKDLFBGDWYEHJ-UHFFFAOYSA-N -1 3 375.335 2.407 50 0 GEAAHM COc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c(OC(F)F)c1 ZINC000252484811 570475046 /nfs/dbraw/zinc/47/50/46/570475046.db2.gz GIKDLFBGDWYEHJ-UHFFFAOYSA-N -1 3 375.335 2.407 50 0 GEAAHM COc1ncnc(C)c1-c1ccc(C(=O)N2Cc3nc(C)[n-]c(=O)c3C2)cc1 ZINC000584898592 570477399 /nfs/dbraw/zinc/47/73/99/570477399.db2.gz DAPAVYUOLZIABA-UHFFFAOYSA-N -1 3 377.404 2.421 50 0 GEAAHM Cc1c2c(=O)[n-]n(C)c2[nH]c(=O)c1CCC(=O)NC[C@@H]1CCCc2ccccc21 ZINC000030599614 570492396 /nfs/dbraw/zinc/49/23/96/570492396.db2.gz GHLWFDMKKUBHAW-HNNXBMFYSA-N -1 3 394.475 2.032 50 0 GEAAHM O=C(C[N-]S(=O)(=O)c1ccccc1F)OCC(=O)c1c[nH]c2ccccc12 ZINC000007007728 570737834 /nfs/dbraw/zinc/73/78/34/570737834.db2.gz FYGVWFYNHLEALT-UHFFFAOYSA-N -1 3 390.392 2.011 50 0 GEAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCN(C)C)ccc2C)cc1 ZINC000013674218 570771780 /nfs/dbraw/zinc/77/17/80/570771780.db2.gz RNTKTFPXTVCCRK-UHFFFAOYSA-N -1 3 375.494 2.396 50 0 GEAAHM COc1c[n-]c(C(=O)Nc2ccc3ncn(CCC(C)C)c(=O)c3c2)cc1=O ZINC000524735426 570774116 /nfs/dbraw/zinc/77/41/16/570774116.db2.gz BKARNIIQIOLRGL-UHFFFAOYSA-N -1 3 382.420 2.392 50 0 GEAAHM COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1ccccc1SC ZINC000032747394 570793448 /nfs/dbraw/zinc/79/34/48/570793448.db2.gz PINAOIIKMVHNOA-UHFFFAOYSA-N -1 3 379.463 2.318 50 0 GEAAHM CC1CCC2(CC1)NC(=O)N([N-]C(=O)COc1ccc(F)c(Cl)c1)C2=O ZINC000007126442 570797116 /nfs/dbraw/zinc/79/71/16/570797116.db2.gz UEWRKTAYAWMNDB-UHFFFAOYSA-N -1 3 383.807 2.390 50 0 GEAAHM CCOC(=O)c1ccc(N2C(=O)[C@@H]3C(c4ccc(F)cc4)=NOC3=C2[O-])cc1 ZINC000101194443 570816607 /nfs/dbraw/zinc/81/66/07/570816607.db2.gz SCJUYRNNRXKUMA-WBVHZDCISA-N -1 3 382.347 2.295 50 0 GEAAHM O=C(N[C@@]1(C(F)(F)F)[N-]C(=O)N(Cc2ccco2)C1=O)c1ccc(F)cc1 ZINC000003622765 570878708 /nfs/dbraw/zinc/87/87/08/570878708.db2.gz QIRJVQIMCBRPMD-OAHLLOKOSA-N -1 3 385.273 2.159 50 0 GEAAHM COc1ccc2[n-]cc(C(=O)NC3CCN(c4cnccn4)CC3)c(=O)c2c1 ZINC000299776929 570894485 /nfs/dbraw/zinc/89/44/85/570894485.db2.gz FWGTWMYDCFOORA-UHFFFAOYSA-N -1 3 379.420 2.138 50 0 GEAAHM COc1cccc([C@H]2[C@@H](S(=O)(=O)[N-]C3CCCCC3)CON2C)c1OC ZINC000105025049 570913473 /nfs/dbraw/zinc/91/34/73/570913473.db2.gz DNGVFQDMUILXER-IRXDYDNUSA-N -1 3 384.498 2.243 50 0 GEAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000170643654 570968957 /nfs/dbraw/zinc/96/89/57/570968957.db2.gz NGGQYUZEVACPOA-PVXIVEMSSA-N -1 3 377.466 2.178 50 0 GEAAHM COc1ccccc1[C@@H]([N-]S(=O)(=O)N(C)[C@H](C)C1CC1)c1noc(C)n1 ZINC000107137488 570971790 /nfs/dbraw/zinc/97/17/90/570971790.db2.gz RTJGAWMCMUKULO-BDJLRTHQSA-N -1 3 380.470 2.041 50 0 GEAAHM COc1ccccc1[C@@H]1C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C[C@H]1C(=O)[O-] ZINC000091452737 571009430 /nfs/dbraw/zinc/00/94/30/571009430.db2.gz SQKGUEGYGKBTEZ-DLBZAZTESA-N -1 3 379.420 2.176 50 0 GEAAHM COc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C[C@H]1C(=O)[O-] ZINC000091452737 571009432 /nfs/dbraw/zinc/00/94/32/571009432.db2.gz SQKGUEGYGKBTEZ-DLBZAZTESA-N -1 3 379.420 2.176 50 0 GEAAHM COc1ccccc1[C@@H]1C[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C[C@H]1C(=O)[O-] ZINC000091452737 571009435 /nfs/dbraw/zinc/00/94/35/571009435.db2.gz SQKGUEGYGKBTEZ-DLBZAZTESA-N -1 3 379.420 2.176 50 0 GEAAHM COc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C[C@H]1C(=O)[O-] ZINC000091452737 571009436 /nfs/dbraw/zinc/00/94/36/571009436.db2.gz SQKGUEGYGKBTEZ-DLBZAZTESA-N -1 3 379.420 2.176 50 0 GEAAHM Cc1ncc(C(=O)N2CCC3(CCC(=O)N(Cc4ccccc4)C3)CC2)c(=O)[n-]1 ZINC000091830765 571032745 /nfs/dbraw/zinc/03/27/45/571032745.db2.gz QDWKDKPLMHVWOD-UHFFFAOYSA-N -1 3 394.475 2.123 50 0 GEAAHM COc1ccccc1CCNC(=O)CN1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000092097369 571044803 /nfs/dbraw/zinc/04/48/03/571044803.db2.gz KPNAOVNJNWLQCB-RBUKOAKNSA-N -1 3 382.460 2.154 50 0 GEAAHM COc1ccc2c(c1)OC[C@]1(C(=O)[O-])CN(Cc3ccc(N(C)C)nc3)C[C@H]21 ZINC000095384065 571069534 /nfs/dbraw/zinc/06/95/34/571069534.db2.gz WPQAKALNLOBKDW-DYESRHJHSA-N -1 3 383.448 2.219 50 0 GEAAHM Cc1cc(S(=O)(=O)[N-][C@@H](C)Cn2ncc3ccccc3c2=O)c(F)cc1F ZINC000121016095 231024706 /nfs/dbraw/zinc/02/47/06/231024706.db2.gz WAJDRORGRYIVJF-LBPRGKRZSA-N -1 3 393.415 2.350 50 0 GEAAHM CN(Cc1ccccc1)C(=O)CCN1CCC[C@@H](c2ccn(CC(=O)[O-])n2)C1 ZINC000426531517 529996853 /nfs/dbraw/zinc/99/68/53/529996853.db2.gz BDRIHBYXQGFSQF-GOSISDBHSA-N -1 3 384.480 2.196 50 0 GEAAHM CCN1C(=O)[C@]2(SC([N-]C(C)=O)=NN2C(C)=O)c2c1c(C)ccc2Cl ZINC000004437022 531512867 /nfs/dbraw/zinc/51/28/67/531512867.db2.gz QNYBXPLYFQWWIF-MRXNPFEDSA-N -1 3 380.857 2.170 50 0 GEAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1N(C)S(C)(=O)=O ZINC000006590777 531528282 /nfs/dbraw/zinc/52/82/82/531528282.db2.gz FGDWDWSAZUZFET-UHFFFAOYSA-N -1 3 384.479 2.200 50 0 GEAAHM CCOc1cc(Cl)c(S(=O)(=O)[N-]CCCN2CCOCC2)cc1Cl ZINC000019891014 531579997 /nfs/dbraw/zinc/57/99/97/531579997.db2.gz GBZKQZZTZXLOFG-UHFFFAOYSA-N -1 3 397.324 2.393 50 0 GEAAHM CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]C(C)C)cc21 ZINC000040450293 531661871 /nfs/dbraw/zinc/66/18/71/531661871.db2.gz XKKIJOGZSRMDOH-UHFFFAOYSA-N -1 3 375.288 2.435 50 0 GEAAHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1cc(-c2cccs2)n(C)n1 ZINC000090607052 531923754 /nfs/dbraw/zinc/92/37/54/531923754.db2.gz QJMLKJYVSHFAFP-UHFFFAOYSA-N -1 3 397.503 2.475 50 0 GEAAHM COc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3ccc(Cl)s3)C2=O)cc1 ZINC000096396202 531934173 /nfs/dbraw/zinc/93/41/73/531934173.db2.gz HRRWECYUNXEKEN-LBPRGKRZSA-N -1 3 386.882 2.494 50 0 GEAAHM O=c1ccc(-c2ccc(F)cc2)nn1CC[N-]S(=O)(=O)c1cccs1 ZINC000009844623 212235923 /nfs/dbraw/zinc/23/59/23/212235923.db2.gz VPJUHIPQSOJJCY-UHFFFAOYSA-N -1 3 379.438 2.089 50 0 GEAAHM Cc1ccc(S(=O)(=O)CCCC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000009912850 212236522 /nfs/dbraw/zinc/23/65/22/212236522.db2.gz WXTYEIVUYCIXPE-UHFFFAOYSA-N -1 3 386.429 2.071 50 0 GEAAHM CCOC(=O)C(Sc1nc2sc3c(c2c(=O)n1C)CCCC3)=C(C)[O-] ZINC000001033728 212207161 /nfs/dbraw/zinc/20/71/61/212207161.db2.gz LFTAXBAMBNRXAL-CYBMUJFWSA-N -1 3 380.491 2.487 50 0 GEAAHM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2c3nsnc3ccc2C)o1 ZINC000000818588 212185155 /nfs/dbraw/zinc/18/51/55/212185155.db2.gz WILQRVFOSWEJSW-UHFFFAOYSA-N -1 3 381.435 2.248 50 0 GEAAHM O=C(N[C@]1(C(F)(F)F)[N-]C(=O)N(Cc2ccccc2Cl)C1=O)C1CC1 ZINC000009419410 221079969 /nfs/dbraw/zinc/07/99/69/221079969.db2.gz MWJHVFVBHPJTFI-AWEZNQCLSA-N -1 3 375.734 2.177 50 0 GEAAHM O=C(N[C@@]1(C(F)(F)F)[N-]C(=O)N(Cc2ccccc2Cl)C1=O)C1CC1 ZINC000009419409 221080220 /nfs/dbraw/zinc/08/02/20/221080220.db2.gz MWJHVFVBHPJTFI-CQSZACIVSA-N -1 3 375.734 2.177 50 0 GEAAHM O=S(=O)([N-]CCNc1ccc(Nc2ccncc2)nn1)c1ccccc1F ZINC000011697881 221123561 /nfs/dbraw/zinc/12/35/61/221123561.db2.gz MZEDKTISBNJBIT-UHFFFAOYSA-N -1 3 388.428 2.145 50 0 GEAAHM Cc1cccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2C)c1 ZINC000011858107 221133265 /nfs/dbraw/zinc/13/32/65/221133265.db2.gz ZNHOCVKMVSBIBF-UHFFFAOYSA-N -1 3 394.474 2.171 50 0 GEAAHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCc2cnn(-c3ccccc3)c2)cc1 ZINC000011532628 221116870 /nfs/dbraw/zinc/11/68/70/221116870.db2.gz WZAGGMDTQUMQDT-UHFFFAOYSA-N -1 3 384.461 2.216 50 0 GEAAHM Cc1cccc(OCCOC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)c1 ZINC000012798722 221233457 /nfs/dbraw/zinc/23/34/57/221233457.db2.gz GVBHCEMRIWOKMA-AWEZNQCLSA-N -1 3 381.425 2.423 50 0 GEAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000013003855 221255376 /nfs/dbraw/zinc/25/53/76/221255376.db2.gz XJJOSWKTEGFOOJ-MRVPVSSYSA-N -1 3 375.809 2.389 50 0 GEAAHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(CC(=O)N2CCOCC2)cc1 ZINC000013848960 221291825 /nfs/dbraw/zinc/29/18/25/221291825.db2.gz CWBNEKKZWWSOOW-UHFFFAOYSA-N -1 3 392.452 2.336 50 0 GEAAHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCO3)cc1OC ZINC000015674868 221338946 /nfs/dbraw/zinc/33/89/46/221338946.db2.gz XTOGDUUVXLWPTR-UHFFFAOYSA-N -1 3 392.433 2.250 50 0 GEAAHM Cc1cccc(-n2c(=O)[nH]c([O-])c([C@H]3NCCc4c5ccccc5[nH]c43)c2=O)c1 ZINC000017194532 221380714 /nfs/dbraw/zinc/38/07/14/221380714.db2.gz SIDDZCWUMCZWPZ-LJQANCHMSA-N -1 3 388.427 2.256 50 0 GEAAHM Cc1cccc(-n2c([O-])c([C@H]3NCCc4c5ccccc5[nH]c43)c(=O)[nH]c2=O)c1 ZINC000017194532 221380717 /nfs/dbraw/zinc/38/07/17/221380717.db2.gz SIDDZCWUMCZWPZ-LJQANCHMSA-N -1 3 388.427 2.256 50 0 GEAAHM CCC[N-]S(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCCC3)o2)cs1 ZINC000065098955 222100089 /nfs/dbraw/zinc/10/00/89/222100089.db2.gz CHPLVRVSPKHGOY-UHFFFAOYSA-N -1 3 384.483 2.113 50 0 GEAAHM Cn1nccc1-c1csc(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)c1 ZINC000065112355 222100546 /nfs/dbraw/zinc/10/05/46/222100546.db2.gz AEXFLWBWMHACPA-UHFFFAOYSA-N -1 3 377.447 2.356 50 0 GEAAHM CCn1c(=O)[nH]nc1[C@H]1CCCN(Cc2c3cc(C)ccc3[nH]c2C(=O)[O-])C1 ZINC000067871925 222166146 /nfs/dbraw/zinc/16/61/46/222166146.db2.gz YXPGGGYNSAUICH-ZDUSSCGKSA-N -1 3 383.452 2.459 50 0 GEAAHM O=C(c1cc(=O)[n-]c(=O)[nH]1)N1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1 ZINC000067935225 222169661 /nfs/dbraw/zinc/16/96/61/222169661.db2.gz LVXVHLAVIXLEQY-UHFFFAOYSA-N -1 3 383.383 2.025 50 0 GEAAHM COc1ccc2cc([C@H]3CN(C(=O)c4cnc(C)[n-]c4=O)CCO3)ccc2c1 ZINC000071422101 222183850 /nfs/dbraw/zinc/18/38/50/222183850.db2.gz VAEBHXOKYYXVQQ-LJQANCHMSA-N -1 3 379.416 2.454 50 0 GEAAHM Cc1nc2c(c(=O)[n-]1)CCN(C(=O)[C@@]1(C)CCc3c(C)c(O)c(C)c(C)c3O1)C2 ZINC000072161073 222215676 /nfs/dbraw/zinc/21/56/76/222215676.db2.gz OYSNRKBUIOYLFW-JOCHJYFZSA-N -1 3 397.475 2.378 50 0 GEAAHM COc1cc(CN2CCC3(C[C@@H](C(=O)[O-])N(C(=O)C4CC4)C3)CC2)ccc1O ZINC000072423906 222258604 /nfs/dbraw/zinc/25/86/04/222258604.db2.gz DLCTUCHHCYZMCI-INIZCTEOSA-N -1 3 388.464 2.079 50 0 GEAAHM COc1ccc(CN2CCN(C(=O)c3cccc([O-])c3)C[C@H]2CCO)cc1C ZINC000072447967 222263060 /nfs/dbraw/zinc/26/30/60/222263060.db2.gz FYRYUVBHEWWFCB-LJQANCHMSA-N -1 3 384.476 2.418 50 0 GEAAHM CCn1c(CN(C)C)nnc1C1CCN(C(=O)c2cccc(OC)c2[O-])CC1 ZINC000096166435 222394816 /nfs/dbraw/zinc/39/48/16/222394816.db2.gz XLWKASLSHXWCRB-UHFFFAOYSA-N -1 3 387.484 2.094 50 0 GEAAHM COc1ccccc1-n1cc(-c2ccnc(NCc3nc(C)cc(=O)[n-]3)n2)cn1 ZINC000019838597 570224284 /nfs/dbraw/zinc/22/42/84/570224284.db2.gz XMSJSYQKEXDKFQ-UHFFFAOYSA-N -1 3 389.419 2.342 50 0 GEAAHM COc1ccccc1-c1nc(NC(=O)CCc2nc(-c3ccccn3)no2)n[n-]1 ZINC000048285848 570231731 /nfs/dbraw/zinc/23/17/31/570231731.db2.gz ZDZRETSHLFWSRL-UHFFFAOYSA-N -1 3 391.391 2.497 50 0 GEAAHM O=C(c1cnc(Nc2ccccc2)nc1)N1CCC(c2cc(=O)[n-]cn2)CC1 ZINC000097636447 570247973 /nfs/dbraw/zinc/24/79/73/570247973.db2.gz IIXHGUZKCNJCBM-UHFFFAOYSA-N -1 3 376.420 2.323 50 0 GEAAHM O=C([O-])[C@@H](c1ccc2c(c1)OCCO2)N1CCCN(Cc2cccnc2)CC1 ZINC000108020746 570311817 /nfs/dbraw/zinc/31/18/17/570311817.db2.gz WOLWEVDFUAVWPX-HXUWFJFHSA-N -1 3 383.448 2.186 50 0 GEAAHM COC(=O)c1sccc1S(=O)(=O)[N-]CC[C@@H](CCO)c1cccs1 ZINC000575608839 570332071 /nfs/dbraw/zinc/33/20/71/570332071.db2.gz ZPUPWXSVCABJOH-NSHDSACASA-N -1 3 389.520 2.431 50 0 GEAAHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@@H](c1ccsc1)n1cccn1 ZINC000575613981 570339957 /nfs/dbraw/zinc/33/99/57/570339957.db2.gz NGJWCCLHKIRGDI-LBPRGKRZSA-N -1 3 397.503 2.361 50 0 GEAAHM O=S(=O)([N-]CCc1nnc(Cc2ccc(F)cc2)[nH]1)c1ccccc1F ZINC000035509297 570379876 /nfs/dbraw/zinc/37/98/76/570379876.db2.gz XTZRPTHMKIQUKD-UHFFFAOYSA-N -1 3 378.404 2.195 50 0 GEAAHM COCCn1cnnc1CN(C)C(=O)c1c[n-]c2cc(Cl)ccc2c1=O ZINC000220286919 570384523 /nfs/dbraw/zinc/38/45/23/570384523.db2.gz DPWOVJRLMAPBIX-UHFFFAOYSA-N -1 3 375.816 2.104 50 0 GEAAHM O=c1c(-c2ccc(I)cc2)[n+]([O-])c2ccccc2n1[O-] ZINC000004867371 570413914 /nfs/dbraw/zinc/41/39/14/570413914.db2.gz HDPIWRMAOXKVGN-UHFFFAOYSA-N -1 3 380.141 2.144 50 0 GEAAHM Cc1c([O-])nc(CCNC(=O)[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)[nH]c1=O ZINC000239475384 570430119 /nfs/dbraw/zinc/43/01/19/570430119.db2.gz ANWVEAUKBSWQJH-STQMWFEESA-N -1 3 381.354 2.006 50 0 GEAAHM CN1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)CC1=O ZINC000192658013 570491060 /nfs/dbraw/zinc/49/10/60/570491060.db2.gz ZQMXSLGMQYKXDM-CQSZACIVSA-N -1 3 386.901 2.418 50 0 GEAAHM Cc1ccc2c(c1)CCCN2C(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C1CC1 ZINC000043109436 570500403 /nfs/dbraw/zinc/50/04/03/570500403.db2.gz CVUXWHNSGRXYRZ-UHFFFAOYSA-N -1 3 376.416 2.321 50 0 GEAAHM Cc1ccc(-c2cc([N-]C(=O)CN3CCN(c4ncccn4)CC3)on2)cc1 ZINC000034888596 570546885 /nfs/dbraw/zinc/54/68/85/570546885.db2.gz JGXFGFYFEBTXGF-UHFFFAOYSA-N -1 3 378.436 2.201 50 0 GEAAHM COc1ccc(-n2c(C)nnc2SCC(=O)NCc2ncccc2[O-])cc1 ZINC000225410507 570571147 /nfs/dbraw/zinc/57/11/47/570571147.db2.gz IOZDXGUCTRNSQO-UHFFFAOYSA-N -1 3 385.449 2.093 50 0 GEAAHM CCOC(=O)[C@@H]1[C@H](c2ccc(OC(F)F)cc2)NC(=O)[N-][C@]1(O)C(F)(F)F ZINC000004387395 570731660 /nfs/dbraw/zinc/73/16/60/570731660.db2.gz BQZLQFWSSMGXOK-PKFCDNJMSA-N -1 3 398.284 2.072 50 0 GEAAHM COc1ccc(C(=O)N2CCc3c(nc(-c4ccccc4)[n-]c3=O)C2)c(OC)n1 ZINC000065260198 570762376 /nfs/dbraw/zinc/76/23/76/570762376.db2.gz ZFHVJTNRBDRZKY-UHFFFAOYSA-N -1 3 392.415 2.048 50 0 GEAAHM Nc1cc2ncnn2c(N2N=C(c3ccc(Cl)cc3)C[C@]2([O-])C(F)(F)F)n1 ZINC000004478243 570800765 /nfs/dbraw/zinc/80/07/65/570800765.db2.gz RTVLZENHCGYGNN-AWEZNQCLSA-N -1 3 397.748 2.225 50 0 GEAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)OCc1nc2ccccc2s1 ZINC000007140588 570805187 /nfs/dbraw/zinc/80/51/87/570805187.db2.gz GNQIUTXKJOIALU-UHFFFAOYSA-N -1 3 381.413 2.433 50 0 GEAAHM CCc1ccc([C@H](C)NC(=O)CSc2[n-]c(=O)nc(C)c2C(=O)OC)cc1 ZINC000031617998 570818520 /nfs/dbraw/zinc/81/85/20/570818520.db2.gz ZOOPUZWHIGSQEY-NSHDSACASA-N -1 3 389.477 2.397 50 0 GEAAHM COc1ccc(C2=NOC3=C([O-])N(c4ccc(F)cc4F)C(=O)[C@@H]23)c(OC)c1 ZINC000101505746 570825969 /nfs/dbraw/zinc/82/59/69/570825969.db2.gz RVPLCVHAXXLTGH-DOTOQJQBSA-N -1 3 388.326 2.275 50 0 GEAAHM CCc1cc2c(CN3CCN(C(=O)N4CCCC4)CC3)cc(=O)oc2cc1[O-] ZINC000032899595 570895159 /nfs/dbraw/zinc/89/51/59/570895159.db2.gz IMEBUAOFXDJAHW-UHFFFAOYSA-N -1 3 385.464 2.394 50 0 GEAAHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CCCC[C@H]1CCn1cccn1 ZINC000534647363 570917136 /nfs/dbraw/zinc/91/71/36/570917136.db2.gz VBMHCCQUOHKIOX-KRWDZBQOSA-N -1 3 380.456 2.218 50 0 GEAAHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CCCC[C@H]1CCn1cccn1 ZINC000534647363 570917139 /nfs/dbraw/zinc/91/71/39/570917139.db2.gz VBMHCCQUOHKIOX-KRWDZBQOSA-N -1 3 380.456 2.218 50 0 GEAAHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NC[C@@H]2CCOC2)CC1 ZINC000047068048 570939190 /nfs/dbraw/zinc/93/91/90/570939190.db2.gz BADOGDZYIUZTRT-LBPRGKRZSA-N -1 3 381.860 2.442 50 0 GEAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)C(=O)Nc2ccc(Br)cc2)N1 ZINC000004742368 570956922 /nfs/dbraw/zinc/95/69/22/570956922.db2.gz MOAMZJPYDZSBLG-GFCCVEGCSA-N -1 3 394.147 2.247 50 0 GEAAHM COc1ccc2nc(NC(=O)C[N-]S(=O)(=O)c3cccs3)sc2c1 ZINC000004758006 570967794 /nfs/dbraw/zinc/96/77/94/570967794.db2.gz OKXRQICUIJPPPP-UHFFFAOYSA-N -1 3 383.476 2.283 50 0 GEAAHM O=C(NC[C@H](c1ccco1)N1CCCC1)c1cnc(-c2ccncc2)[n-]c1=O ZINC000091621484 571019202 /nfs/dbraw/zinc/01/92/02/571019202.db2.gz BXJKVDUSDHOUFF-MRXNPFEDSA-N -1 3 379.420 2.404 50 0 GEAAHM O=C(c1cc2ccccc2cc1[O-])N1CC[C@H](N2CCOCC2)[C@H](CCCO)C1 ZINC000091943596 571036916 /nfs/dbraw/zinc/03/69/16/571036916.db2.gz BQJQAOLXTXUEAC-CTNGQTDRSA-N -1 3 398.503 2.481 50 0 GEAAHM O=C(c1ccc([O-])cc1)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 ZINC000092019752 571040976 /nfs/dbraw/zinc/04/09/76/571040976.db2.gz PLGQSYGYWZLQEX-NRFANRHFSA-N -1 3 382.464 2.203 50 0 GEAAHM O=C(c1cc(=O)[n-]c(=O)[nH]1)N1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000092062154 571043310 /nfs/dbraw/zinc/04/33/10/571043310.db2.gz JXQVKWHFYFGKOQ-UHFFFAOYSA-N -1 3 375.428 2.286 50 0 GEAAHM C[C@@H](c1nncn1C1CCCC1)n1cc(-c2ccc(-c3nnn[n-]3)cc2)nn1 ZINC000095387331 571070776 /nfs/dbraw/zinc/07/07/76/571070776.db2.gz VDKQCXQDYFVJFV-LBPRGKRZSA-N -1 3 376.428 2.441 50 0 GEAAHM C[C@@H](c1nncn1C1CCCC1)n1cc(-c2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000095387331 571070778 /nfs/dbraw/zinc/07/07/78/571070778.db2.gz VDKQCXQDYFVJFV-LBPRGKRZSA-N -1 3 376.428 2.441 50 0 GEAAHM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(Cc1c[nH]nc1-c1ccc(F)cc1)CC2 ZINC000095387115 571070817 /nfs/dbraw/zinc/07/08/17/571070817.db2.gz PWNDCCYPOQSCBN-INIZCTEOSA-N -1 3 386.427 2.113 50 0 GEAAHM O=C(COc1ccc(Br)cc1)Nc1cccc2c1C(=O)[N-]C2=O ZINC000003306215 642322098 /nfs/dbraw/zinc/32/20/98/642322098.db2.gz XHYZHIYLVUVXCG-UHFFFAOYSA-N -1 3 375.178 2.350 50 0 GEAAHM