smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](CO[N-]C(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1)NC(=O)OC(C)(C)C ZINC001545858723 1064267031 /nfs/dbraw/zinc/26/70/31/1064267031.db2.gz WBNSILVHPYRGPF-MRXNPFEDSA-N -1 3 455.530 4.868 20 0 JJADHM Cc1cccc2c1CCN(C(=O)c1cc(S(=O)(=O)[N-]c3ccccc3F)ccc1Cl)C2 ZINC001359952834 1064716988 /nfs/dbraw/zinc/71/69/88/1064716988.db2.gz JNDSVGCHMXFBGC-UHFFFAOYSA-N -1 3 458.942 4.787 20 0 JJADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001435444219 1064760415 /nfs/dbraw/zinc/76/04/15/1064760415.db2.gz UTFQFLDSSUUCHE-HUUCEWRRSA-N -1 3 454.995 4.820 20 0 JJADHM CN1CCc2ccc(NC(=O)c3cc(S(=O)(=O)[N-]c4ccccc4F)ccc3Cl)cc21 ZINC001435689430 1064935220 /nfs/dbraw/zinc/93/52/20/1064935220.db2.gz OMBZVJXPNUDJJF-UHFFFAOYSA-N -1 3 459.930 4.525 20 0 JJADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cccc(CSc2cc(C)ccc2C)c1 ZINC001435933818 1065070346 /nfs/dbraw/zinc/07/03/46/1065070346.db2.gz QPAPEDWWYSCRFT-UHFFFAOYSA-N -1 3 452.532 4.749 20 0 JJADHM CCOC(=O)c1cc(F)c(F)cc1[N-]C(=O)c1cc(-c2cccc(Br)c2)no1 ZINC001360427109 1065296718 /nfs/dbraw/zinc/29/67/18/1065296718.db2.gz RMHKTGMUTZZIPR-UHFFFAOYSA-N -1 3 451.223 4.811 20 0 JJADHM CCSc1cccc(F)c1[N-]C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c1 ZINC001436561346 1065363335 /nfs/dbraw/zinc/36/33/35/1065363335.db2.gz JRZQKZSRTVUXTJ-IYBDPMFKSA-N -1 3 450.601 4.857 20 0 JJADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1ccc(-c2ccc(Br)s2)s1 ZINC001436648953 1065416474 /nfs/dbraw/zinc/41/64/74/1065416474.db2.gz LCWFKQJVDGTCRP-UHFFFAOYSA-N -1 3 450.318 4.811 20 0 JJADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1ccc(-c2ccc(Br)s2)s1 ZINC001436648953 1065416487 /nfs/dbraw/zinc/41/64/87/1065416487.db2.gz LCWFKQJVDGTCRP-UHFFFAOYSA-N -1 3 450.318 4.811 20 0 JJADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)c3cc(C)c(Cl)cc3C)c2)cc1 ZINC001360517808 1065481844 /nfs/dbraw/zinc/48/18/44/1065481844.db2.gz RQNZDNOCOOCHOA-UHFFFAOYSA-N -1 3 458.967 4.696 20 0 JJADHM O=C(N[C@H](c1ccccn1)C1CC1)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC001439542208 1065838831 /nfs/dbraw/zinc/83/88/31/1065838831.db2.gz XZKWBHKGCIXGCU-NRFANRHFSA-N -1 3 459.930 4.556 20 0 JJADHM Cc1onc(-c2cccc(Br)c2)c1C(=O)[N-]c1n[nH]c(Cc2cccc(F)c2)n1 ZINC001439869653 1065887624 /nfs/dbraw/zinc/88/76/24/1065887624.db2.gz YWOZTDFCZBOBIS-UHFFFAOYSA-N -1 3 456.275 4.513 20 0 JJADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCC(c2ccccc2)c2ccccc2)c1 ZINC001440411630 1065938932 /nfs/dbraw/zinc/93/89/32/1065938932.db2.gz RGMVUCGVISWCLW-UHFFFAOYSA-N -1 3 455.514 4.893 20 0 JJADHM COc1ccc(OC(C)(C)C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC001440516078 1065946447 /nfs/dbraw/zinc/94/64/47/1065946447.db2.gz CCTYDGZNIBOWBC-UHFFFAOYSA-N -1 3 454.548 4.601 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@H]3c3ccc(OC)cc3)ccc2C)cc1 ZINC001440568762 1065950531 /nfs/dbraw/zinc/95/05/31/1065950531.db2.gz GYQHOCGPRRRXTI-XZOQPEGZSA-N -1 3 466.559 4.555 20 0 JJADHM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1cnn(C2CC2)c1 ZINC001440567834 1065950928 /nfs/dbraw/zinc/95/09/28/1065950928.db2.gz YOQVECPIQSUQEJ-UHFFFAOYSA-N -1 3 451.335 4.578 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCc4cc(C)ccc43)ccc2C)cc1 ZINC001440878455 1065988198 /nfs/dbraw/zinc/98/81/98/1065988198.db2.gz CVRQYEPEHOEREO-UHFFFAOYSA-N -1 3 450.560 4.706 20 0 JJADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H](c1ccccc1)c1ccccn1 ZINC001440933960 1065995356 /nfs/dbraw/zinc/99/53/56/1065995356.db2.gz NKZPVEVYPUSTOO-XNMGPUDCSA-N -1 3 451.526 4.554 20 0 JJADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H](c3ccc(F)cc3)C(C)(C)C)cs2)c1 ZINC001441497475 1066047103 /nfs/dbraw/zinc/04/71/03/1066047103.db2.gz PMJPHNPOPTZJPQ-NRFANRHFSA-N -1 3 455.555 4.995 20 0 JJADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCC[C@@H]3c3ccccc3Cl)cs2)c1 ZINC001441870923 1066075729 /nfs/dbraw/zinc/07/57/29/1066075729.db2.gz UFFBWNVNDLDCLZ-LJQANCHMSA-N -1 3 455.967 4.969 20 0 JJADHM Cc1nc(-c2cccc(NC(=O)C[C@@H](NC(=O)c3ccc([O-])cc3)c3ccccc3)c2)[nH]c1C ZINC001442238153 1066106669 /nfs/dbraw/zinc/10/66/69/1066106669.db2.gz ZZTLDRDZTAYHCM-XMMPIXPASA-N -1 3 454.530 4.899 20 0 JJADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)COc3ccc(C)cc3)c2)cc1 ZINC001442395823 1066124058 /nfs/dbraw/zinc/12/40/58/1066124058.db2.gz LKHJJHCMUSKTGA-HXUWFJFHSA-N -1 3 452.576 4.610 20 0 JJADHM O=C(Nc1ccccc1CN1CCSCC1)c1c([O-])cnc2c(Br)cccc21 ZINC001442548558 1066135812 /nfs/dbraw/zinc/13/58/12/1066135812.db2.gz CMHCAYFZWVBHMN-UHFFFAOYSA-N -1 3 458.381 4.504 20 0 JJADHM O=C([N-]c1cc(C(F)(F)F)ccc1SCC(F)F)c1ccc(CN2CCOCC2)o1 ZINC001361040542 1066263023 /nfs/dbraw/zinc/26/30/23/1066263023.db2.gz ATHSBJBHLJDWSN-UHFFFAOYSA-N -1 3 450.429 4.740 20 0 JJADHM CC[C@H](C)[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001443136306 1066272272 /nfs/dbraw/zinc/27/22/72/1066272272.db2.gz JYAWETKJECRNNC-AVRWGWEMSA-N -1 3 455.574 4.624 20 0 JJADHM O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1cc(OCc2ccccc2)ccc1[O-] ZINC001443594747 1066334462 /nfs/dbraw/zinc/33/44/62/1066334462.db2.gz ZJZPZIQSIHRRMS-UHFFFAOYSA-N -1 3 450.388 4.898 20 0 JJADHM CCOc1ccc(CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)c2ccc(OC)c(Cl)c2)cc1 ZINC001443636946 1066342309 /nfs/dbraw/zinc/34/23/09/1066342309.db2.gz YAYXPRSGMWGXNM-UHFFFAOYSA-N -1 3 453.926 4.967 20 0 JJADHM C[C@H](Cc1cncc2ccccc21)C(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001454940217 1066344555 /nfs/dbraw/zinc/34/45/55/1066344555.db2.gz ZVDHJMVEIQPIGA-SJLPKXTDSA-N -1 3 455.480 4.612 20 0 JJADHM Cc1ccc(C(=O)NC[C@@H]2C[C@H]2C(F)(F)F)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC001455560237 1066410330 /nfs/dbraw/zinc/41/03/30/1066410330.db2.gz VEQVHHBCIORULV-GXTWGEPZSA-N -1 3 464.868 4.517 20 0 JJADHM CC(C)c1ccccc1OCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001444208746 1066429111 /nfs/dbraw/zinc/42/91/11/1066429111.db2.gz PBFHKYLFNXXIOG-UHFFFAOYSA-N -1 3 456.539 4.559 20 0 JJADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H](c1ccc(F)cc1F)C1CC1 ZINC001444970670 1066524642 /nfs/dbraw/zinc/52/46/42/1066524642.db2.gz AYNWLZJLFQHKLE-NOZRDPDXSA-N -1 3 450.485 4.799 20 0 JJADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1cnc(-c2ccccc2)s1 ZINC001445170292 1066542724 /nfs/dbraw/zinc/54/27/24/1066542724.db2.gz AQXSJZJFSMDVAR-HSZRJFAPSA-N -1 3 457.555 4.693 20 0 JJADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)Nc3cnn(C4CCC4)c3)ccc2C)c(C)c1 ZINC001456276203 1066553363 /nfs/dbraw/zinc/55/33/63/1066553363.db2.gz IFEVGAJAPQNVLX-UHFFFAOYSA-N -1 3 452.580 4.895 20 0 JJADHM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1c(F)cccc1Cl ZINC001445371611 1066563781 /nfs/dbraw/zinc/56/37/81/1066563781.db2.gz BKWFKDXKQLOBKT-CYBMUJFWSA-N -1 3 450.894 4.910 20 0 JJADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)Nc3cccc(NC=O)c3)ccc2C)c(C)c1 ZINC001456335524 1066564884 /nfs/dbraw/zinc/56/48/84/1066564884.db2.gz MFKQPTAVVYLEFL-UHFFFAOYSA-N -1 3 451.548 4.542 20 0 JJADHM C[C@H](c1ccccc1)n1ccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC001445860603 1066627821 /nfs/dbraw/zinc/62/78/21/1066627821.db2.gz BTYOEOWMBYTRBE-DVECYGJZSA-N -1 3 454.530 4.698 20 0 JJADHM C[C@H](c1ccccc1)n1ccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC001445860605 1066627878 /nfs/dbraw/zinc/62/78/78/1066627878.db2.gz BTYOEOWMBYTRBE-NTKDMRAZSA-N -1 3 454.530 4.698 20 0 JJADHM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1ccc(Cl)c(F)c1 ZINC001446282047 1066685384 /nfs/dbraw/zinc/68/53/84/1066685384.db2.gz ZMIZUMFLGAIBRI-CYBMUJFWSA-N -1 3 450.894 4.910 20 0 JJADHM O=C(N[C@H](Cc1ccccc1)c1ccccn1)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001456793474 1066691771 /nfs/dbraw/zinc/69/17/71/1066691771.db2.gz BLBYWBZPOZGNMB-LJQANCHMSA-N -1 3 453.420 4.536 20 0 JJADHM CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccccc1O2 ZINC001456885521 1066714239 /nfs/dbraw/zinc/71/42/39/1066714239.db2.gz KXSUVCZVJSNVJY-NTKDMRAZSA-N -1 3 458.942 4.679 20 0 JJADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CCCN1C(=O)OCc1ccc(Br)cc1 ZINC001446531817 1066717267 /nfs/dbraw/zinc/71/72/67/1066717267.db2.gz ZXPVFZONOLADPN-INIZCTEOSA-N -1 3 453.720 4.548 20 0 JJADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)Nc3nc4c(o3)CCCC4)ccc2C)c(C)c1 ZINC001457102440 1066763016 /nfs/dbraw/zinc/76/30/16/1066763016.db2.gz KBLWYLCEHPFQIO-UHFFFAOYSA-N -1 3 453.564 4.840 20 0 JJADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCC1(c2ccccc2Cl)CCCCC1 ZINC001447111201 1066775058 /nfs/dbraw/zinc/77/50/58/1066775058.db2.gz VDLCOEHXJQZESP-UHFFFAOYSA-N -1 3 450.970 4.767 20 0 JJADHM COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1cc(Br)ccc1[O-] ZINC001447278552 1066787385 /nfs/dbraw/zinc/78/73/85/1066787385.db2.gz PUEOMHRNIZDRQA-ZDUSSCGKSA-N -1 3 457.162 4.751 20 0 JJADHM Cc1c(COC(C)(C)C)cccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001457202929 1066788344 /nfs/dbraw/zinc/78/83/44/1066788344.db2.gz QBYKZROYFIZUCS-UHFFFAOYSA-N -1 3 450.576 4.778 20 0 JJADHM O=C(CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)Nc1ncccc1[O-] ZINC001447599994 1066827352 /nfs/dbraw/zinc/82/73/52/1066827352.db2.gz BHOPYWPXBLAXLU-UHFFFAOYSA-N -1 3 458.465 4.935 20 0 JJADHM Cc1ccccc1Nc1scnc1C(=O)Nc1ccc(I)cc1[O-] ZINC001447633554 1066832949 /nfs/dbraw/zinc/83/29/49/1066832949.db2.gz ZSHFCTZLBFXOEW-UHFFFAOYSA-N -1 3 451.289 4.758 20 0 JJADHM CCCCOc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c([O-])c1 ZINC001457538096 1066855062 /nfs/dbraw/zinc/85/50/62/1066855062.db2.gz WBFILGURPXVUCZ-UHFFFAOYSA-N -1 3 458.864 4.954 20 0 JJADHM Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)nn1[C@@H](C)C1CC1 ZINC001457563729 1066862775 /nfs/dbraw/zinc/86/27/75/1066862775.db2.gz AFJMSAJMZKAMQB-INIZCTEOSA-N -1 3 456.543 4.663 20 0 JJADHM Cc1ccc(NC(=O)Cn2ccc3ccc(F)cc32)cc1S(=O)(=O)[N-]c1ccccc1F ZINC001457573764 1066867634 /nfs/dbraw/zinc/86/76/34/1066867634.db2.gz RRRRFCNQDGHBFY-UHFFFAOYSA-N -1 3 455.486 4.667 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC(C)(C)C(F)(F)F)c2)cc1 ZINC001448182936 1066907593 /nfs/dbraw/zinc/90/75/93/1066907593.db2.gz AGGQVLVBPGHSRJ-UHFFFAOYSA-N -1 3 458.502 4.513 20 0 JJADHM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC001546004423 1066917081 /nfs/dbraw/zinc/91/70/81/1066917081.db2.gz CMZUULCZINPXGE-HZPDHXFCSA-N -1 3 455.780 4.610 20 0 JJADHM C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001457800511 1066923747 /nfs/dbraw/zinc/92/37/47/1066923747.db2.gz CLBWYZXWFAQGHE-JKSUJKDBSA-N -1 3 458.493 4.535 20 0 JJADHM Cc1cc(Oc2cc(Cl)ccc2CNC(=O)CNC(=O)c2ccc([O-])cc2)ccc1Cl ZINC001457977571 1066950733 /nfs/dbraw/zinc/95/07/33/1066950733.db2.gz JNAXXSZBZLQUBM-UHFFFAOYSA-N -1 3 459.329 4.846 20 0 JJADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@]3(CCC)CCOC3)c2)cc1 ZINC001449331488 1067000869 /nfs/dbraw/zinc/00/08/69/1067000869.db2.gz NIQMZNLTBKRBBZ-VWLOTQADSA-N -1 3 458.624 4.827 20 0 JJADHM CC(C)(C)CC(C)(C)N1CCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])CC1 ZINC001449561364 1067014622 /nfs/dbraw/zinc/01/46/22/1067014622.db2.gz BJGDFCJJPAUURD-UHFFFAOYSA-N -1 3 452.521 4.569 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCCc2ccccc2CC1 ZINC001449698011 1067021504 /nfs/dbraw/zinc/02/15/04/1067021504.db2.gz QQEVFSOCOJFJAN-UHFFFAOYSA-N -1 3 452.551 4.566 20 0 JJADHM Cc1c(Br)ccc([O-])c1NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC001450233286 1067061922 /nfs/dbraw/zinc/06/19/22/1067061922.db2.gz YGNRIVSHAILSCE-UHFFFAOYSA-N -1 3 452.658 4.971 20 0 JJADHM CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC001546100866 1067065864 /nfs/dbraw/zinc/06/58/64/1067065864.db2.gz MKFPRNKPYSBAQM-HHHXNRCGSA-N -1 3 452.595 4.944 20 0 JJADHM CC(C)Oc1ccc([C@@H](CNC(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])N(C)C)cc1 ZINC001450543113 1067089149 /nfs/dbraw/zinc/08/91/49/1067089149.db2.gz MGQMUMXFCBMZOW-HSZRJFAPSA-N -1 3 450.583 4.521 20 0 JJADHM O=C(NC1CCCC1)OC[C@H]1CCCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001450836337 1067128890 /nfs/dbraw/zinc/12/88/90/1067128890.db2.gz DUHZMWKXGDRZMJ-HSZRJFAPSA-N -1 3 450.579 4.841 20 0 JJADHM CN(C[C@H](O)c1cccc(Br)c1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001451412927 1067168546 /nfs/dbraw/zinc/16/85/46/1067168546.db2.gz MFVIUNODFQTYFS-QHCPKHFHSA-N -1 3 454.364 4.746 20 0 JJADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(Cl)cc2)s1 ZINC001451928205 1067199255 /nfs/dbraw/zinc/19/92/55/1067199255.db2.gz YZVAVGWVJNIJDI-KRWDZBQOSA-N -1 3 459.959 4.655 20 0 JJADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(CC(C)C)[C@H](C)c1ccccc1Cl ZINC001452413934 1067222320 /nfs/dbraw/zinc/22/23/20/1067222320.db2.gz GAZHABOQXIQIMH-GOSISDBHSA-N -1 3 452.986 4.972 20 0 JJADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 ZINC001452719707 1067246564 /nfs/dbraw/zinc/24/65/64/1067246564.db2.gz CDGLBHUDWZOAAX-QGZVFWFLSA-N -1 3 452.388 4.928 20 0 JJADHM Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CSc2nc3c(cnn3C)c(=O)[n-]2)cc1 ZINC001459187023 1067268551 /nfs/dbraw/zinc/26/85/51/1067268551.db2.gz NARXOMHADNXOMX-UHFFFAOYSA-N -1 3 455.927 4.554 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@]3(C)CC[C@H](C)C3(C)C)c2)cc1 ZINC001453051553 1067275608 /nfs/dbraw/zinc/27/56/08/1067275608.db2.gz QLCACAGTLNRQNW-BVZFJXPGSA-N -1 3 458.624 4.997 20 0 JJADHM COC(=O)c1cc(F)cc([N-]C(=O)c2cnc(-c3ccccc3Br)s2)c1F ZINC001459736382 1067399766 /nfs/dbraw/zinc/39/97/66/1067399766.db2.gz PXSCDTMVOUWGOZ-UHFFFAOYSA-N -1 3 453.264 4.890 20 0 JJADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC[C@H](c4ccc(CC)cc4)C3)nc(=O)c2c1C ZINC001460064491 1067543680 /nfs/dbraw/zinc/54/36/80/1067543680.db2.gz KCZKDLHTTGZQHN-APWZRJJASA-N -1 3 453.608 4.973 20 0 JJADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)NC2(C(F)F)CCCC2)c(Cl)cc1Cl ZINC001460619860 1067675264 /nfs/dbraw/zinc/67/52/64/1067675264.db2.gz YQMRROXYNTUCFP-NSHDSACASA-N -1 3 457.370 4.768 20 0 JJADHM COC(=O)c1c([N-]C(=O)c2sc(-c3ccccc3)nc2C(F)F)sc2c1CCOC2 ZINC001461021555 1067763424 /nfs/dbraw/zinc/76/34/24/1067763424.db2.gz KLQBCAJBQUQEGP-UHFFFAOYSA-N -1 3 450.488 4.921 20 0 JJADHM COc1ccc(NCc2sc(Sc3ccccc3)nc2Cl)cc1[N-]S(C)(=O)=O ZINC001461303997 1067823694 /nfs/dbraw/zinc/82/36/94/1067823694.db2.gz SHSLNVRKGCAAMO-UHFFFAOYSA-N -1 3 456.014 4.940 20 0 JJADHM O=S(=O)([N-]CCCCc1ccccc1)c1csc(-c2ccc(Br)cc2)n1 ZINC001462763929 1068159457 /nfs/dbraw/zinc/15/94/57/1068159457.db2.gz JKPIHWQHNQTYAW-UHFFFAOYSA-N -1 3 451.411 4.874 20 0 JJADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccc(F)cc1)c1cnc(Cl)c(Br)c1 ZINC001462825179 1068178079 /nfs/dbraw/zinc/17/80/79/1068178079.db2.gz RBIDHRFBVDVTHR-KRWDZBQOSA-N -1 3 455.736 4.705 20 0 JJADHM O=S(=O)([N-][C@H](c1ccccc1)c1ccc(F)cc1)c1cnc(Cl)c(Br)c1 ZINC001462825181 1068178093 /nfs/dbraw/zinc/17/80/93/1068178093.db2.gz RBIDHRFBVDVTHR-QGZVFWFLSA-N -1 3 455.736 4.705 20 0 JJADHM O=S(=O)([N-]C[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1)c1ccco1 ZINC001462836061 1068184542 /nfs/dbraw/zinc/18/45/42/1068184542.db2.gz HRSMILOLOCOKRP-QGZVFWFLSA-N -1 3 457.404 4.726 20 0 JJADHM O=S(=O)([N-][C@H](c1ccccc1)c1ccc(Br)cc1F)c1cc(F)cc(F)c1 ZINC001462866594 1068196129 /nfs/dbraw/zinc/19/61/29/1068196129.db2.gz CJASRMNDNYLWCL-LJQANCHMSA-N -1 3 456.283 4.934 20 0 JJADHM O=S(=O)([N-]Cc1ccccc1OCC(F)(F)F)c1cc(Cl)ccc1Br ZINC001462904390 1068210423 /nfs/dbraw/zinc/21/04/23/1068210423.db2.gz WGTXNIBDDGCCBC-UHFFFAOYSA-N -1 3 458.683 4.522 20 0 JJADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CC(C)(C)c1ccccc1F ZINC001463005726 1068247404 /nfs/dbraw/zinc/24/74/04/1068247404.db2.gz KZERTMHBRCSAFJ-UHFFFAOYSA-N -1 3 450.757 4.506 20 0 JJADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H](C)c1ccc(F)c(Br)c1 ZINC001463080261 1068280733 /nfs/dbraw/zinc/28/07/33/1068280733.db2.gz OIYRJRZKXNRVTP-MRVPVSSYSA-N -1 3 457.184 4.760 20 0 JJADHM CC(C)CC[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1)C(C)(C)C ZINC001463100916 1068287479 /nfs/dbraw/zinc/28/74/79/1068287479.db2.gz YCFQVPDWPRAKAP-UPCLLVRISA-N -1 3 453.468 4.591 20 0 JJADHM Cc1ccc([C@@H]2OCCC[C@@H]2C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)cc1 ZINC001463186419 1068313714 /nfs/dbraw/zinc/31/37/14/1068313714.db2.gz PIRKHICAVXSIGV-BEFAXECRSA-N -1 3 458.805 4.857 20 0 JJADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](C)Oc2cccc(Br)c2)c1Cl ZINC001463211844 1068322074 /nfs/dbraw/zinc/32/20/74/1068322074.db2.gz COQPBBBACTYCEY-LLVKDONJSA-N -1 3 453.185 4.810 20 0 JJADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(C)cc2O[C@H](C)CC(C)C)c1 ZINC001463335851 1068360427 /nfs/dbraw/zinc/36/04/27/1068360427.db2.gz ZPAORTRNJQXQFE-QGZVFWFLSA-N -1 3 451.560 4.603 20 0 JJADHM COC(=O)c1cc2ccccc2cc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccc(C)cc1 ZINC001463471912 1068413010 /nfs/dbraw/zinc/41/30/10/1068413010.db2.gz NRJUGOHUYPOMSR-IBGZPJMESA-N -1 3 451.466 4.907 20 0 JJADHM CCCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2cccc3ccccc32)C(F)(F)F)cc1 ZINC001463500223 1068420450 /nfs/dbraw/zinc/42/04/50/1068420450.db2.gz UIVNSFFCMIULSD-FQEVSTJZSA-N -1 3 451.466 4.989 20 0 JJADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1 ZINC001463501834 1068421048 /nfs/dbraw/zinc/42/10/48/1068421048.db2.gz GTVIOSHZMAZGDK-INIZCTEOSA-N -1 3 454.392 4.636 20 0 JJADHM C[C@H](NC(=O)c1c[n-]c2ccc(Br)cc2c1=O)c1ccc(Br)cc1 ZINC001463551130 1068438894 /nfs/dbraw/zinc/43/88/94/1068438894.db2.gz VVEHGLQAXJNSSV-JTQLQIEISA-N -1 3 450.130 4.544 20 0 JJADHM O=S(=O)([N-]CC1(c2ccc(F)cc2F)CCCC1)c1ccc(C(F)(F)F)nc1Cl ZINC001463563413 1068445071 /nfs/dbraw/zinc/44/50/71/1068445071.db2.gz UKIMRZVORIOBOJ-UHFFFAOYSA-N -1 3 454.848 4.822 20 0 JJADHM COc1ccc(NC(=O)/C(C)=C/c2ccncc2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC001463700094 1068498591 /nfs/dbraw/zinc/49/85/91/1068498591.db2.gz PAYDZSAZEBPKOZ-FYWRMAATSA-N -1 3 457.939 4.586 20 0 JJADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@H]1CCCC[C@H]1c1ccccc1 ZINC001463706471 1068500851 /nfs/dbraw/zinc/50/08/51/1068500851.db2.gz BURXDNZRUWSOIH-CVEARBPZSA-N -1 3 456.377 4.849 20 0 JJADHM O=S(=O)([N-]CCOc1ccc(Cl)c(Cl)c1)c1cc(Br)ccc1Cl ZINC001463791568 1068525263 /nfs/dbraw/zinc/52/52/63/1068525263.db2.gz LRLIOSDTDPCSQL-UHFFFAOYSA-N -1 3 459.576 4.767 20 0 JJADHM CC(C)Cc1ccc([C@H](C[N-]S(=O)(=O)c2c3ncsc3ccc2Cl)N(C)C)cc1 ZINC001463824036 1068536259 /nfs/dbraw/zinc/53/62/59/1068536259.db2.gz ODSJOLPVBURODB-SFHVURJKSA-N -1 3 452.045 4.729 20 0 JJADHM CCC(CC)(C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)OC(C)(C)C ZINC001463929694 1068568728 /nfs/dbraw/zinc/56/87/28/1068568728.db2.gz GGJHSMXIFVSTNC-UHFFFAOYSA-N -1 3 454.814 4.529 20 0 JJADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCCSc1ccc(F)cc1 ZINC001463938471 1068570527 /nfs/dbraw/zinc/57/05/27/1068570527.db2.gz KEVOCGQBXOZEPL-QHCPKHFHSA-N -1 3 452.551 4.691 20 0 JJADHM CCN(CC)c1ccc(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)cc(C)c2[O-])cc1 ZINC001463958184 1068575412 /nfs/dbraw/zinc/57/54/12/1068575412.db2.gz GTLVCPDKJGUZNJ-UHFFFAOYSA-N -1 3 457.530 4.595 20 0 JJADHM Cc1cc(S(=O)(=O)[N-]Cc2ccnc(Oc3ccccc3)c2)c(F)cc1Br ZINC001464017693 1068590423 /nfs/dbraw/zinc/59/04/23/1068590423.db2.gz GBELRFQAXDCSAL-UHFFFAOYSA-N -1 3 451.317 4.562 20 0 JJADHM O=C(C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)c1c(Cl)cccc1Cl ZINC001464049006 1068599839 /nfs/dbraw/zinc/59/98/39/1068599839.db2.gz JHTCOSQBTSELAJ-UHFFFAOYSA-N -1 3 457.560 4.571 20 0 JJADHM CCN(Cc1ccccc1C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC001464065492 1068603426 /nfs/dbraw/zinc/60/34/26/1068603426.db2.gz NOVHNGWUHVRQEC-UHFFFAOYSA-N -1 3 452.576 4.775 20 0 JJADHM COc1cc([C@@H](C)NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)ccc1OC(C)C ZINC001464092380 1068612018 /nfs/dbraw/zinc/61/20/18/1068612018.db2.gz BKVJVTYVISBVRD-CYBMUJFWSA-N -1 3 459.340 4.577 20 0 JJADHM Cc1cc(Br)c(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)s1 ZINC001464110743 1068618006 /nfs/dbraw/zinc/61/80/06/1068618006.db2.gz JWDOZALGLJVVBO-UHFFFAOYSA-N -1 3 459.612 4.713 20 0 JJADHM CCCOc1ccc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)cc1 ZINC001464249001 1068675149 /nfs/dbraw/zinc/67/51/49/1068675149.db2.gz HOHCQBKTLZKPRH-UHFFFAOYSA-N -1 3 452.576 4.823 20 0 JJADHM Cc1ccc(Br)cc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001464274965 1068686168 /nfs/dbraw/zinc/68/61/68/1068686168.db2.gz UZAUETPSWUOTGE-OAQYLSRUSA-N -1 3 453.336 4.963 20 0 JJADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc3nc(-c4ccccc4)oc3c2)cc1OC ZINC001464336290 1068710770 /nfs/dbraw/zinc/71/07/70/1068710770.db2.gz ONITVMHELNCHJW-UHFFFAOYSA-N -1 3 451.504 4.517 20 0 JJADHM O=S(=O)(Cc1ccc(C2CCCCC2)cc1)[N-][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC001464361282 1068718895 /nfs/dbraw/zinc/71/88/95/1068718895.db2.gz CBNKDBMASWDOBH-VXKWHMMOSA-N -1 3 455.542 4.688 20 0 JJADHM CC(C)(C)OC(=O)Nc1ccnc(C[N-]S(=O)(=O)c2sc3ccccc3c2Cl)c1 ZINC001464563226 1068782952 /nfs/dbraw/zinc/78/29/52/1068782952.db2.gz ZGFRVEWDBVNUHP-UHFFFAOYSA-N -1 3 453.973 4.775 20 0 JJADHM C[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001464675364 1068820811 /nfs/dbraw/zinc/82/08/11/1068820811.db2.gz GMQWEPMCLSPRMU-UGKGYDQZSA-N -1 3 452.595 4.943 20 0 JJADHM Cc1ccc(Oc2ccccc2CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1 ZINC001435091850 1064508882 /nfs/dbraw/zinc/50/88/82/1064508882.db2.gz CKJLOKGYYKTIPU-UHFFFAOYSA-N -1 3 456.539 4.543 20 0 JJADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)/C(C)=C/c3ccc(C)cc3)c2)cc1 ZINC001435172400 1064567002 /nfs/dbraw/zinc/56/70/02/1064567002.db2.gz WTPFQVFYXZRMKF-XDJHFCHBSA-N -1 3 450.560 4.524 20 0 JJADHM O=C(Nc1cc(F)c(F)c(F)c1)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC001435281855 1064658895 /nfs/dbraw/zinc/65/88/95/1064658895.db2.gz TYUHSTREHNIWIK-UHFFFAOYSA-N -1 3 458.820 4.950 20 0 JJADHM CCc1onc(C)c1[N-]C(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl ZINC001435572921 1064842156 /nfs/dbraw/zinc/84/21/56/1064842156.db2.gz JSUDSNSAWPTDGY-UHFFFAOYSA-N -1 3 459.955 4.593 20 0 JJADHM CCCCc1nc(NC(=O)[C@H](CC)Cc2cccc(Br)c2)c(C(=O)OCC)[n-]1 ZINC001435886699 1065044373 /nfs/dbraw/zinc/04/43/73/1065044373.db2.gz GSUPGVOKOHPLSV-OAHLLOKOSA-N -1 3 450.377 4.899 20 0 JJADHM CCCCc1nc(NC(=O)C[C@H](C)c2ccc(F)c(Br)c2)c(C(=O)OCC)[n-]1 ZINC001435887556 1065045028 /nfs/dbraw/zinc/04/50/28/1065045028.db2.gz TXTUMMZCNKVUPM-LBPRGKRZSA-N -1 3 454.340 4.963 20 0 JJADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3ccc(-c4cccc(C(C)C)c4)o3)c2)[n-]1 ZINC001436098273 1065178311 /nfs/dbraw/zinc/17/83/11/1065178311.db2.gz DPXSVZJAAMVELH-UHFFFAOYSA-N -1 3 458.518 4.962 20 0 JJADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3ccc(-c4cccc(C(C)C)c4)o3)c2)n[n-]1 ZINC001436098273 1065178321 /nfs/dbraw/zinc/17/83/21/1065178321.db2.gz DPXSVZJAAMVELH-UHFFFAOYSA-N -1 3 458.518 4.962 20 0 JJADHM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1cnn(-c2cccc(Cl)c2)c1C ZINC001436246549 1065273570 /nfs/dbraw/zinc/27/35/70/1065273570.db2.gz JUKUJXACVRXWRB-UHFFFAOYSA-N -1 3 450.882 4.918 20 0 JJADHM CC(C)[C@@H]1C[C@H]1n1c(-c2ccccc2Cl)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001360425534 1065294819 /nfs/dbraw/zinc/29/48/19/1065294819.db2.gz JUBGGCUQQIGRBY-FUHWJXTLSA-N -1 3 469.939 4.710 20 0 JJADHM Cc1cccnc1CC[N-]C(=O)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1 ZINC001436376810 1065305293 /nfs/dbraw/zinc/30/52/93/1065305293.db2.gz GJHJOHIWDFVQSM-UHFFFAOYSA-N -1 3 453.205 4.502 20 0 JJADHM CCSc1cccc(F)c1[N-]C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 ZINC001436561343 1065363262 /nfs/dbraw/zinc/36/32/62/1065363262.db2.gz JRZQKZSRTVUXTJ-HZPDHXFCSA-N -1 3 450.601 4.857 20 0 JJADHM COc1cc([N-]C(=O)c2cc(-c3ccc(Br)cc3)no2)c2nccc(OC)c2c1 ZINC001439013235 1065777484 /nfs/dbraw/zinc/77/74/84/1065777484.db2.gz CAIHSXUXTWQDSV-UHFFFAOYSA-N -1 3 454.280 4.922 20 0 JJADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccoc2)C2CC2)c(Cl)cc1Cl ZINC001439651783 1065853723 /nfs/dbraw/zinc/85/37/23/1065853723.db2.gz IECUUNXLDUBGDP-ZDUSSCGKSA-N -1 3 459.395 4.858 20 0 JJADHM COC(=O)c1cc2nc(NC(=O)c3cc4ccccc4cc3OC)[n-]c2c(Br)c1 ZINC001440014657 1065902412 /nfs/dbraw/zinc/90/24/12/1065902412.db2.gz AEJKZDPXUKDWHT-UHFFFAOYSA-N -1 3 454.280 4.526 20 0 JJADHM COC(=O)c1cc2nc(NC(=O)c3cc4ccccc4nc3Cl)[n-]c2c(Br)c1 ZINC001440027683 1065904247 /nfs/dbraw/zinc/90/42/47/1065904247.db2.gz JACMUHNKZCXKJF-UHFFFAOYSA-N -1 3 459.687 4.566 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3N)cc2)cc1 ZINC001440517999 1065946191 /nfs/dbraw/zinc/94/61/91/1065946191.db2.gz JFQDJPWVTDOYDC-UHFFFAOYSA-N -1 3 450.347 4.937 20 0 JJADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N(Cc3cccs3)C3CC3)c2)c1 ZINC001441057670 1066004786 /nfs/dbraw/zinc/00/47/86/1066004786.db2.gz YORXSQRMVBCUCY-UHFFFAOYSA-N -1 3 452.532 4.528 20 0 JJADHM C[C@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1cccc(OC(F)F)c1 ZINC001441358926 1066034227 /nfs/dbraw/zinc/03/42/27/1066034227.db2.gz FCIDTXXWWBDWLC-KSFYIVLOSA-N -1 3 454.473 4.732 20 0 JJADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H](C)c3cccc(OC(C)C)c3)cs2)c1 ZINC001441530293 1066048870 /nfs/dbraw/zinc/04/88/70/1066048870.db2.gz BJBQZPIXMOHJEO-MRXNPFEDSA-N -1 3 453.564 4.617 20 0 JJADHM C[C@H]1CN(c2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3[O-])cc2F)C[C@H](C)O1 ZINC001441558065 1066050649 /nfs/dbraw/zinc/05/06/49/1066050649.db2.gz JSBOBLUBGNVSSW-ROUUACIJSA-N -1 3 450.510 4.976 20 0 JJADHM CCS(=O)(=O)c1ccccc1CC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC001545945222 1066081385 /nfs/dbraw/zinc/08/13/85/1066081385.db2.gz JZZOPBXNLUVBKX-UHFFFAOYSA-N -1 3 452.557 4.644 20 0 JJADHM COc1cc2[n-]cc(C(=O)N[C@@H](c3ccsc3)c3ccc(Cl)cc3)c(=O)c2c(OC)c1 ZINC001442119224 1066096406 /nfs/dbraw/zinc/09/64/06/1066096406.db2.gz ICFSHPXACVCCTL-OAQYLSRUSA-N -1 3 454.935 4.780 20 0 JJADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CCOc2c(Cl)cccc21 ZINC001442247494 1066107943 /nfs/dbraw/zinc/10/79/43/1066107943.db2.gz PEAUWCPKIHMOEV-FGZHOGPDSA-N -1 3 450.922 4.547 20 0 JJADHM O=C(c1ccc(O)cc1[O-])N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC001443167839 1066276674 /nfs/dbraw/zinc/27/66/74/1066276674.db2.gz ZQOSNKUYZOURBN-UHFFFAOYSA-N -1 3 457.357 4.952 20 0 JJADHM CCOC(=O)c1ncc(NC(=O)C(C)(C)c2csc(-c3c(Cl)cccc3Cl)n2)[n-]1 ZINC001454462223 1066285318 /nfs/dbraw/zinc/28/53/18/1066285318.db2.gz MUGBZYOHEXDELZ-UHFFFAOYSA-N -1 3 453.351 4.933 20 0 JJADHM CCOC(=O)c1nc(NC(=O)C(C)(C)c2csc(-c3c(Cl)cccc3Cl)n2)c[n-]1 ZINC001454462223 1066285330 /nfs/dbraw/zinc/28/53/30/1066285330.db2.gz MUGBZYOHEXDELZ-UHFFFAOYSA-N -1 3 453.351 4.933 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(OC)cc3F)c2)cc1 ZINC001454720542 1066326221 /nfs/dbraw/zinc/32/62/21/1066326221.db2.gz YDMMUDDJYZCLMW-UHFFFAOYSA-N -1 3 458.511 4.595 20 0 JJADHM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1n[nH]c(-c2ccccc2)c1Br ZINC001443576203 1066330729 /nfs/dbraw/zinc/33/07/29/1066330729.db2.gz AHTXIUIRLHYCLT-UHFFFAOYSA-N -1 3 458.316 4.673 20 0 JJADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC(Cc3ccc(Cl)cc3)CC2)c1 ZINC001454856468 1066337060 /nfs/dbraw/zinc/33/70/60/1066337060.db2.gz PBZYPLWUCNIHII-UHFFFAOYSA-N -1 3 453.926 4.689 20 0 JJADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Oc2ccccc2)cn1 ZINC001443637884 1066341937 /nfs/dbraw/zinc/34/19/37/1066341937.db2.gz ALTYWROEGKTQPG-UHFFFAOYSA-N -1 3 451.426 4.517 20 0 JJADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@H](COC)C3)c2)cc1 ZINC001443909336 1066384130 /nfs/dbraw/zinc/38/41/30/1066384130.db2.gz PCMLTNNWSDBVKZ-NRFANRHFSA-N -1 3 458.624 4.637 20 0 JJADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N2Cc3ccccc3[C@@H](C)C2)c(Cl)cc1Cl ZINC001455467437 1066394620 /nfs/dbraw/zinc/39/46/20/1066394620.db2.gz FHYIXFHHLJHFNX-AWEZNQCLSA-N -1 3 455.407 4.687 20 0 JJADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC(C(C)=O)CC3)c2)cc1 ZINC001455503174 1066399007 /nfs/dbraw/zinc/39/90/07/1066399007.db2.gz CTOUMZUEYVXCMC-UHFFFAOYSA-N -1 3 456.608 4.580 20 0 JJADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@@H](CC)O[C@@H](C)C3)c2)cc1 ZINC001444155316 1066420153 /nfs/dbraw/zinc/42/01/53/1066420153.db2.gz WTHMUERVNBUZRG-SIKLNZKXSA-N -1 3 458.624 4.778 20 0 JJADHM COc1ccc(-c2nc(C(=O)[N-]c3nnc(Cc4ccc(F)cc4)s3)cs2)cc1OC ZINC001456105216 1066510590 /nfs/dbraw/zinc/51/05/90/1066510590.db2.gz NMINRKCMDYKUCM-UHFFFAOYSA-N -1 3 456.524 4.661 20 0 JJADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3ccc(C(=O)C(C)(C)C)cc3)cs2)c1 ZINC001444908152 1066517546 /nfs/dbraw/zinc/51/75/46/1066517546.db2.gz PMERNGMACHGGTA-UHFFFAOYSA-N -1 3 451.548 4.819 20 0 JJADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCC2(c3cccc(Br)c3)CCCCC2)c1 ZINC001445063967 1066535877 /nfs/dbraw/zinc/53/58/77/1066535877.db2.gz XGVYOHPVRRDUMR-UHFFFAOYSA-N -1 3 457.368 4.911 20 0 JJADHM COc1cc(Cl)c(F)cc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001456276959 1066553255 /nfs/dbraw/zinc/55/32/55/1066553255.db2.gz IKNNAHQYXUDZHL-UHFFFAOYSA-N -1 3 452.866 4.680 20 0 JJADHM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001445371438 1066563736 /nfs/dbraw/zinc/56/37/36/1066563736.db2.gz AICKXHIXRMVFBP-ICSRJNTNSA-N -1 3 452.551 4.720 20 0 JJADHM CCOCCC1(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)CCCC1 ZINC001445454721 1066573277 /nfs/dbraw/zinc/57/32/77/1066573277.db2.gz QRGSYZLNVNNQRB-UHFFFAOYSA-N -1 3 458.624 4.821 20 0 JJADHM O=C(/C(=C\c1cccc(Cl)c1)c1cccs1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001445649766 1066597951 /nfs/dbraw/zinc/59/79/51/1066597951.db2.gz XWVDLRJVVWAVKV-SILNSSARSA-N -1 3 452.963 4.632 20 0 JJADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(CC)c2O)c(Cl)cc1Cl ZINC001456589799 1066635072 /nfs/dbraw/zinc/63/50/72/1066635072.db2.gz NQKZZZFVKOSKBI-GFCCVEGCSA-N -1 3 459.395 4.981 20 0 JJADHM CCCOc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(OC)cc3)ccc2C)cc1 ZINC001446190929 1066672649 /nfs/dbraw/zinc/67/26/49/1066672649.db2.gz IYSJOKJBPFZLSR-UHFFFAOYSA-N -1 3 454.548 4.846 20 0 JJADHM CCc1c(C(=O)[N-]c2nc(-c3ccc(SC)cc3)ns2)nnn1-c1cccc(Cl)c1 ZINC001456732593 1066676748 /nfs/dbraw/zinc/67/67/48/1066676748.db2.gz GCGHWHJKFOMZPP-UHFFFAOYSA-N -1 3 456.984 4.976 20 0 JJADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC001446270866 1066681782 /nfs/dbraw/zinc/68/17/82/1066681782.db2.gz BQOSLDLKKCPMCM-BQQUOAEZSA-N -1 3 458.558 4.538 20 0 JJADHM Cc1cccnc1[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C(C)(C)C ZINC001456929372 1066724410 /nfs/dbraw/zinc/72/44/10/1066724410.db2.gz UMSJFKURXBYFTB-QFIPXVFZSA-N -1 3 455.555 4.847 20 0 JJADHM Cc1c(C(=O)N[C@]2(C)CCCOC2)sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC001446905933 1066755282 /nfs/dbraw/zinc/75/52/82/1066755282.db2.gz PLQYWFQGLKQHCP-HSZRJFAPSA-N -1 3 457.621 4.501 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nc(C(C)(C)C)co3)ccc2C)cc1 ZINC001457104025 1066762909 /nfs/dbraw/zinc/76/29/09/1066762909.db2.gz VLHISXKVECLMIX-UHFFFAOYSA-N -1 3 457.552 4.732 20 0 JJADHM Cc1ccc(C(=O)Nc2ccc(O)cc2F)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC001546088208 1066780724 /nfs/dbraw/zinc/78/07/24/1066780724.db2.gz FSTVNHOFNNKSDJ-UHFFFAOYSA-N -1 3 452.866 4.685 20 0 JJADHM CC(C)([C@@H](NC(=O)c1ccc(Br)cc1[O-])c1ccc(F)c(F)c1)N1CCCC1 ZINC001447550770 1066820699 /nfs/dbraw/zinc/82/06/99/1066820699.db2.gz CHCZDMLOSGEWKK-IBGZPJMESA-N -1 3 453.327 4.778 20 0 JJADHM Cc1cc2cc[nH]c2cc1NC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC001447793860 1066859128 /nfs/dbraw/zinc/85/91/28/1066859128.db2.gz JYKCJLLJFUQOJY-UHFFFAOYSA-N -1 3 454.379 4.970 20 0 JJADHM COC(=O)c1cc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])ccc1Br ZINC001447841964 1066867711 /nfs/dbraw/zinc/86/77/11/1066867711.db2.gz UDQZRBGQWVRUPJ-UHFFFAOYSA-N -1 3 454.320 4.979 20 0 JJADHM CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)[N-]c3cc(-c4ccccc4F)no3)o2)CC1 ZINC001457609862 1066877350 /nfs/dbraw/zinc/87/73/50/1066877350.db2.gz CTILUHSHXWUEOZ-UHFFFAOYSA-N -1 3 456.474 4.836 20 0 JJADHM Cc1ccc(-c2cnc(NC(=O)CS(=O)(=O)[N-]c3ccc(OC(C)C)cc3)s2)c(C)c1 ZINC001448038637 1066893561 /nfs/dbraw/zinc/89/35/61/1066893561.db2.gz QTGWSWMAPOJOJO-UHFFFAOYSA-N -1 3 459.593 4.595 20 0 JJADHM CN(C)c1ccc(C2CCN(C(=O)c3c[n-]c4c(OC(F)(F)F)cccc4c3=O)CC2)cc1 ZINC001448110948 1066901043 /nfs/dbraw/zinc/90/10/43/1066901043.db2.gz KGYGYFSAFFLYIC-UHFFFAOYSA-N -1 3 459.468 4.513 20 0 JJADHM O=C(Cc1ccccc1OC1CCCC1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC001457737717 1066907392 /nfs/dbraw/zinc/90/73/92/1066907392.db2.gz WOXISRDAURZXPV-UHFFFAOYSA-N -1 3 456.970 4.787 20 0 JJADHM O=C(Nc1cc([O-])c(Br)cc1Br)c1ccc(CN2CCCCC2)o1 ZINC001457783194 1066918969 /nfs/dbraw/zinc/91/89/69/1066918969.db2.gz BZMUFBBQYTXTCP-UHFFFAOYSA-N -1 3 458.150 4.748 20 0 JJADHM O=C(Cc1ccc([O-])c(F)c1)N1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1 ZINC001457817007 1066927212 /nfs/dbraw/zinc/92/72/12/1066927212.db2.gz FJQFSDCILQAMKL-UHFFFAOYSA-N -1 3 454.929 4.655 20 0 JJADHM C[C@H](NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001449191712 1066988381 /nfs/dbraw/zinc/98/83/81/1066988381.db2.gz MKSQOCZVKGOPNK-GJZGRUSLSA-N -1 3 457.452 4.866 20 0 JJADHM C[C@H](NC(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001449187372 1066988550 /nfs/dbraw/zinc/98/85/50/1066988550.db2.gz HBCDGSUGGKNCND-INXSZFJKSA-N -1 3 455.967 4.962 20 0 JJADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC001450233604 1067062606 /nfs/dbraw/zinc/06/26/06/1067062606.db2.gz ZNNVUJPEVOQBCR-JTQLQIEISA-N -1 3 458.139 4.762 20 0 JJADHM C[C@H](NC(=O)c1c[n-]c2ccc(I)cc2c1=O)c1cccc(C2CC2)c1 ZINC001450248106 1067064113 /nfs/dbraw/zinc/06/41/13/1067064113.db2.gz OZBCJUXXROFVMO-LBPRGKRZSA-N -1 3 458.299 4.501 20 0 JJADHM CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3cc(CCc4ccccc4)ccc3[O-])nc21 ZINC001450371543 1067073607 /nfs/dbraw/zinc/07/36/07/1067073607.db2.gz FNZXEUWOXKJLFW-SFHVURJKSA-N -1 3 450.560 4.869 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC001450484002 1067084416 /nfs/dbraw/zinc/08/44/16/1067084416.db2.gz OXBCXWWHCXVUTK-UAPYVXQJSA-N -1 3 456.514 4.750 20 0 JJADHM CC(C)(C)OC(=O)N1CCCC[C@@H](CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)C1 ZINC001458737434 1067126983 /nfs/dbraw/zinc/12/69/83/1067126983.db2.gz XWNHMMKOIXYNOQ-MRXNPFEDSA-N -1 3 455.584 4.650 20 0 JJADHM CN(C[C@@H](O)c1cccc(Br)c1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001451412921 1067168700 /nfs/dbraw/zinc/16/87/00/1067168700.db2.gz MFVIUNODFQTYFS-HSZRJFAPSA-N -1 3 454.364 4.746 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@H]3CCC[C@@H]3C3CC3)c2)cc1 ZINC001451463041 1067173385 /nfs/dbraw/zinc/17/33/85/1067173385.db2.gz NFOFVQHNTXXGQP-AUSIDOKSSA-N -1 3 456.608 4.751 20 0 JJADHM C[C@@]1(c2ccc(C(F)(F)F)cc2)[N-]C(=O)N(Cc2ccc(Cl)nc2C(F)(F)F)C1=O ZINC001458912934 1067194753 /nfs/dbraw/zinc/19/47/53/1067194753.db2.gz BRDYQYNAMWKAIV-INIZCTEOSA-N -1 3 451.754 4.740 20 0 JJADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N(Cc1ccc(C)cc1C)CC(C)C ZINC001452104340 1067207763 /nfs/dbraw/zinc/20/77/63/1067207763.db2.gz ODAUOMUVMRSZSA-UHFFFAOYSA-N -1 3 459.546 4.908 20 0 JJADHM CC[C@H](OCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1ccccc1 ZINC001452887075 1067259632 /nfs/dbraw/zinc/25/96/32/1067259632.db2.gz RKYORYXNVIXFJO-QHCPKHFHSA-N -1 3 456.539 4.524 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3C[C@H]3c3ccccc3C)ccc2C)cc1 ZINC001452906399 1067263032 /nfs/dbraw/zinc/26/30/32/1067263032.db2.gz QGBSNYFDEYQWOS-BJKOFHAPSA-N -1 3 464.587 4.789 20 0 JJADHM Cc1ccc(CCNC(=O)c2cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc2Cl)cc1C ZINC001453045079 1067275710 /nfs/dbraw/zinc/27/57/10/1067275710.db2.gz KCIFBPZHBVUQMB-UHFFFAOYSA-N -1 3 457.423 4.517 20 0 JJADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@@H](OC)CC3)c2)cc1 ZINC001453381929 1067302355 /nfs/dbraw/zinc/30/23/55/1067302355.db2.gz SUQJYGBGOXYFOT-JOCHJYFZSA-N -1 3 458.624 4.780 20 0 JJADHM COc1cc2[n-]cc(C(=O)N(Cc3ccccc3)[C@H](C)Cc3ccccc3)c(=O)c2c(OC)c1 ZINC001453829253 1067331456 /nfs/dbraw/zinc/33/14/56/1067331456.db2.gz XCQKHTJGKNQWKN-LJQANCHMSA-N -1 3 456.542 4.819 20 0 JJADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2[C@H](c3ccccc3)C2(C)C)c(Cl)cc1Cl ZINC001453876075 1067333444 /nfs/dbraw/zinc/33/34/44/1067333444.db2.gz BIZLHIQTOBONRS-PMACEKPBSA-N -1 3 469.434 4.850 20 0 JJADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3nc4cc(Cl)c(F)cc4[nH]3)cc2)cc1 ZINC001453898334 1067334916 /nfs/dbraw/zinc/33/49/16/1067334916.db2.gz BXRVYXBLUZFTJE-UHFFFAOYSA-N -1 3 458.902 4.717 20 0 JJADHM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1ccc(NC(=O)N(C)C)cc1Cl ZINC001460060206 1067542225 /nfs/dbraw/zinc/54/22/25/1067542225.db2.gz HRUGNCWRBCDACC-UHFFFAOYSA-N -1 3 456.886 4.518 20 0 JJADHM Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001460652273 1067688037 /nfs/dbraw/zinc/68/80/37/1067688037.db2.gz OWTYTURAHKNSQH-HUUCEWRRSA-N -1 3 453.892 4.648 20 0 JJADHM C[C@@H](Sc1ccccc1Cl)C(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001461830266 1067943334 /nfs/dbraw/zinc/94/33/34/1067943334.db2.gz YGAKWYLDWXEMEI-LLVKDONJSA-N -1 3 456.376 4.669 20 0 JJADHM C[C@@H](Sc1ccccc1Cl)C(=O)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001461830266 1067943342 /nfs/dbraw/zinc/94/33/42/1067943342.db2.gz YGAKWYLDWXEMEI-LLVKDONJSA-N -1 3 456.376 4.669 20 0 JJADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(SC(F)(F)F)c2)ccc1F ZINC001461995967 1067977172 /nfs/dbraw/zinc/97/71/72/1067977172.db2.gz JFEKXUSOFDSTMN-UHFFFAOYSA-N -1 3 450.479 4.767 20 0 JJADHM CC1CCN(S(=O)(=O)c2ccc(C(=O)[N-]c3cc(Cl)cc(Cl)c3F)s2)CC1 ZINC001462327691 1068051899 /nfs/dbraw/zinc/05/18/99/1068051899.db2.gz BCCMJCNQEOZNEC-UHFFFAOYSA-N -1 3 451.372 4.867 20 0 JJADHM CCOc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cc1OCC ZINC001462719168 1068141755 /nfs/dbraw/zinc/14/17/55/1068141755.db2.gz SSDMYZDAPAYCCV-UHFFFAOYSA-N -1 3 451.894 4.677 20 0 JJADHM Cc1nn(Cc2ccccc2)c(C)c1C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC001462748487 1068153838 /nfs/dbraw/zinc/15/38/38/1068153838.db2.gz QXGCVLGXPZHOAR-UHFFFAOYSA-N -1 3 457.905 4.699 20 0 JJADHM O=S(=O)([N-]Cc1ccc(COc2ccccc2)cc1)c1cc(Br)ccc1F ZINC001462838013 1068185126 /nfs/dbraw/zinc/18/51/26/1068185126.db2.gz YJONADGNXPNOEC-UHFFFAOYSA-N -1 3 450.329 4.646 20 0 JJADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](c1cccs1)c1ccc(Cl)cc1 ZINC001462847332 1068188742 /nfs/dbraw/zinc/18/87/42/1068188742.db2.gz WZGKBMJINOVKHA-SFHVURJKSA-N -1 3 456.372 4.909 20 0 JJADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)CCc2ccc(OC(C)C)cc2)c(F)cc1Br ZINC001462870302 1068197952 /nfs/dbraw/zinc/19/79/52/1068197952.db2.gz NTHZJGFGBAMZGH-HNNXBMFYSA-N -1 3 458.393 4.983 20 0 JJADHM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-][C@H](c2ccc(C(C)(C)C)cc2)C(F)(F)F)c1 ZINC001462888397 1068203854 /nfs/dbraw/zinc/20/38/54/1068203854.db2.gz OXLLTIGUPQGPEG-LJQANCHMSA-N -1 3 456.530 4.658 20 0 JJADHM Cc1cc(Br)sc1S(=O)(=O)[N-]Cc1c(C)cc(Br)cc1C ZINC001462951201 1068226202 /nfs/dbraw/zinc/22/62/02/1068226202.db2.gz CGFCFJJEHIKXIW-UHFFFAOYSA-N -1 3 453.221 4.677 20 0 JJADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCCOc2ccc(Cl)cc2Cl)s1 ZINC001462951628 1068227036 /nfs/dbraw/zinc/22/70/36/1068227036.db2.gz ICATVHLWUIWNNA-UHFFFAOYSA-N -1 3 459.214 4.873 20 0 JJADHM Cc1cc(S(=O)(=O)[N-]CCCOc2ccc(Cl)cc2Cl)sc1Br ZINC001462955789 1068228972 /nfs/dbraw/zinc/22/89/72/1068228972.db2.gz TVBJPCHKBQFMFU-UHFFFAOYSA-N -1 3 459.214 4.873 20 0 JJADHM C[C@H](Cc1ccc(Cl)cc1Cl)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001462985560 1068240019 /nfs/dbraw/zinc/24/00/19/1068240019.db2.gz QFZUMVDXTBTASA-MRVPVSSYSA-N -1 3 458.592 4.714 20 0 JJADHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](COCC(C)C)c2ccco2)c(Br)c1 ZINC001462990960 1068242097 /nfs/dbraw/zinc/24/20/97/1068242097.db2.gz LYSYRVDWGIFLJE-OAHLLOKOSA-N -1 3 450.782 4.696 20 0 JJADHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](COCC(C)C)c2ccco2)c(Br)c1 ZINC001462990955 1068242120 /nfs/dbraw/zinc/24/21/20/1068242120.db2.gz LYSYRVDWGIFLJE-HNNXBMFYSA-N -1 3 450.782 4.696 20 0 JJADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1F ZINC001463034412 1068258080 /nfs/dbraw/zinc/25/80/80/1068258080.db2.gz KZJAMGDCCCHDRD-UHFFFAOYSA-N -1 3 453.514 4.664 20 0 JJADHM CCCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F)c1ccc(OC)cc1 ZINC001463040789 1068261063 /nfs/dbraw/zinc/26/10/63/1068261063.db2.gz LKXPOQVSAFZWMU-IBGZPJMESA-N -1 3 457.951 4.874 20 0 JJADHM CN(C(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)/C=C\c1ccccc1Cl)c1ccccc1 ZINC001463099584 1068286892 /nfs/dbraw/zinc/28/68/92/1068286892.db2.gz NZRPJFKYROFAKE-YNKYUBPOSA-N -1 3 454.979 4.504 20 0 JJADHM Cc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)o1 ZINC001463177852 1068311079 /nfs/dbraw/zinc/31/10/79/1068311079.db2.gz QMAYKECSUSRESS-LBPRGKRZSA-N -1 3 455.399 4.774 20 0 JJADHM Cc1ccc([C@H]2OCCC[C@@H]2C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)cc1 ZINC001463186422 1068313541 /nfs/dbraw/zinc/31/35/41/1068313541.db2.gz PIRKHICAVXSIGV-DNVCBOLYSA-N -1 3 458.805 4.857 20 0 JJADHM CO[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br)c1cccc(Cl)c1 ZINC001463224606 1068326494 /nfs/dbraw/zinc/32/64/94/1068326494.db2.gz XABZDTFMKPTRCY-OAHLLOKOSA-N -1 3 453.185 4.730 20 0 JJADHM Cc1ccc(C[N-]S(=O)(=O)c2ccc(Br)nc2F)c(Oc2ccccc2)c1 ZINC001463293189 1068347001 /nfs/dbraw/zinc/34/70/01/1068347001.db2.gz MPQADHRVSYOUCJ-UHFFFAOYSA-N -1 3 451.317 4.562 20 0 JJADHM Cc1cc(S(=O)(=O)[N-][C@H](c2cccc(Cl)c2)c2ccccn2)sc1Br ZINC001463316684 1068353912 /nfs/dbraw/zinc/35/39/12/1068353912.db2.gz FMIYGXWQRHQHKZ-MRXNPFEDSA-N -1 3 457.802 4.935 20 0 JJADHM O=S(=O)([N-]Cc1ccc(-n2cnc3ccccc32)cc1Cl)c1ccc(Cl)cc1F ZINC001463352775 1068368085 /nfs/dbraw/zinc/36/80/85/1068368085.db2.gz OQQDDHPINUBTRD-UHFFFAOYSA-N -1 3 450.322 4.950 20 0 JJADHM O=S(=O)([N-]C(Cc1ccccc1F)Cc1ccccc1F)c1cccnc1C(F)(F)F ZINC001463357510 1068369647 /nfs/dbraw/zinc/36/96/47/1068369647.db2.gz HXGWBJCZAAJRDQ-UHFFFAOYSA-N -1 3 456.436 4.511 20 0 JJADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001463388797 1068381329 /nfs/dbraw/zinc/38/13/29/1068381329.db2.gz MKFPISYIVAGIBZ-QMMMGPOBSA-N -1 3 457.148 4.943 20 0 JJADHM CO[C@H](c1ccc(Br)cc1)[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001463405106 1068385946 /nfs/dbraw/zinc/38/59/46/1068385946.db2.gz ADSOWZOAVZKRMQ-BONVTDFDSA-N -1 3 453.185 4.810 20 0 JJADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CC1(Cc2ccccc2)CCCC1 ZINC001463422807 1068392512 /nfs/dbraw/zinc/39/25/12/1068392512.db2.gz NVSIQFOWEYJBEC-UHFFFAOYSA-N -1 3 456.377 4.678 20 0 JJADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001463431759 1068395591 /nfs/dbraw/zinc/39/55/91/1068395591.db2.gz FMKIHJGIQUOSAE-XOBRGWDASA-N -1 3 454.926 4.644 20 0 JJADHM O=S(=O)([N-][C@H](CC(F)(F)F)c1ccc(Br)cc1)c1ccc2ccccc2n1 ZINC001463567616 1068448085 /nfs/dbraw/zinc/44/80/85/1068448085.db2.gz ZTKMRJLFWVVGAI-MRXNPFEDSA-N -1 3 459.287 4.969 20 0 JJADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1ccc(C(F)(F)F)cc1 ZINC001463627083 1068472884 /nfs/dbraw/zinc/47/28/84/1068472884.db2.gz QQKZWLYCEGHKFG-QFIPXVFZSA-N -1 3 456.464 4.631 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H](C)[C@@H]3OCCc4sccc43)cc2)cc1 ZINC001463637415 1068477468 /nfs/dbraw/zinc/47/74/68/1068477468.db2.gz YNRJUWFGYWOBIO-AOMKIAJQSA-N -1 3 456.589 4.746 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCc3ccc(Cl)cc3)c2)cc1 ZINC001463644726 1068479575 /nfs/dbraw/zinc/47/95/75/1068479575.db2.gz RWPVXFNNHYJZFZ-UHFFFAOYSA-N -1 3 458.967 4.778 20 0 JJADHM O=S(=O)([N-][C@H]1CCOc2c(Cl)c(Cl)ccc21)c1cc(F)ccc1Br ZINC001463655668 1068483730 /nfs/dbraw/zinc/48/37/30/1068483730.db2.gz DQVGRVKAJHNEKN-LBPRGKRZSA-N -1 3 455.132 4.697 20 0 JJADHM Cc1nc(S(=O)(=O)[N-]Cc2ccncc2OCc2ccccc2)c(-c2ccccc2)s1 ZINC001463676177 1068490541 /nfs/dbraw/zinc/49/05/41/1068490541.db2.gz LEPCWUVPXMBJLY-UHFFFAOYSA-N -1 3 451.573 4.571 20 0 JJADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)s1 ZINC001463836518 1068542532 /nfs/dbraw/zinc/54/25/32/1068542532.db2.gz JUGIMVIZWGKIFV-MRXNPFEDSA-N -1 3 450.992 4.710 20 0 JJADHM CCC(CC)(C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)OC(C)(C)C ZINC001463932948 1068569599 /nfs/dbraw/zinc/56/95/99/1068569599.db2.gz YDHQRYMAJGAAML-UHFFFAOYSA-N -1 3 459.033 4.890 20 0 JJADHM CC(C)(C)OC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)C1 ZINC001464027035 1068592277 /nfs/dbraw/zinc/59/22/77/1068592277.db2.gz OCTGBSWDBXDMEP-HIFRSBDPSA-N -1 3 476.542 4.618 20 0 JJADHM O=S(=O)([N-]C[C@H](OC1CCCC1)C(F)(F)F)c1cc(Cl)ccc1OCC1CCC1 ZINC001464048456 1068599812 /nfs/dbraw/zinc/59/98/12/1068599812.db2.gz VDZLLUXOGHMJKD-SFHVURJKSA-N -1 3 455.926 4.687 20 0 JJADHM Cc1cc(Br)sc1S(=O)(=O)[N-]Cc1ccc(OCc2ccccc2)cc1 ZINC001464167154 1068640865 /nfs/dbraw/zinc/64/08/65/1068640865.db2.gz REUCFDMIAVGSBP-UHFFFAOYSA-N -1 3 452.395 4.877 20 0 JJADHM Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC001464219837 1068662419 /nfs/dbraw/zinc/66/24/19/1068662419.db2.gz HLUNCZKVHBDYKN-UHFFFAOYSA-N -1 3 458.436 4.824 20 0 JJADHM O=C(Nc1cccc(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1)c1ccccn1 ZINC001464347279 1068714527 /nfs/dbraw/zinc/71/45/27/1068714527.db2.gz HDCNZAIFVPIUTA-UHFFFAOYSA-N -1 3 451.526 4.755 20 0 JJADHM CC(=O)Nc1ccc(Cl)cc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001464512387 1068769830 /nfs/dbraw/zinc/76/98/30/1068769830.db2.gz MPVKZVMGHJTTQE-OAQYLSRUSA-N -1 3 451.910 4.504 20 0 JJADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@H](C)OC(C)(C)C3)c2)cc1 ZINC001464528047 1068773374 /nfs/dbraw/zinc/77/33/74/1068773374.db2.gz RDWAMSPGDDDBJV-IBGZPJMESA-N -1 3 458.624 4.778 20 0 JJADHM O=S(=O)([N-][C@@H]1CCc2c1cccc2F)c1csc(-c2ccc(Br)cc2)n1 ZINC001464568713 1068785079 /nfs/dbraw/zinc/78/50/79/1068785079.db2.gz YGLSCGKPVJXVHN-MRXNPFEDSA-N -1 3 453.358 4.678 20 0 JJADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H](c3ccc(F)c(C)c3)C3CC3)cs2)c1 ZINC001545874979 1064292087 /nfs/dbraw/zinc/29/20/87/1064292087.db2.gz ICRYDCBUPMAWEF-QFIPXVFZSA-N -1 3 453.539 4.667 20 0 JJADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NC2(c3ccc(Cl)cc3)CCCC2)ccc1F ZINC001434982010 1064398767 /nfs/dbraw/zinc/39/87/67/1064398767.db2.gz NVNGDTDJYZZNND-UHFFFAOYSA-N -1 3 452.979 4.755 20 0 JJADHM CCOc1ccc(Br)c(C(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)c1F ZINC001435451491 1064764534 /nfs/dbraw/zinc/76/45/34/1064764534.db2.gz RQZTYUDXOUSIDC-UHFFFAOYSA-N -1 3 453.699 4.532 20 0 JJADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3ocnc32)c(Cl)cc1Cl ZINC001435931976 1065069204 /nfs/dbraw/zinc/06/92/04/1065069204.db2.gz RVQOFGJMMDMGIS-NSHDSACASA-N -1 3 456.351 4.854 20 0 JJADHM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1cn2c(Br)cnc2s1 ZINC001435978133 1065090140 /nfs/dbraw/zinc/09/01/40/1065090140.db2.gz GNYJVQMIHSDSMT-UHFFFAOYSA-N -1 3 454.762 4.506 20 0 JJADHM O=C([N-]c1nnc(-c2cccc(Br)c2)s1)c1csc(N2CCCCC2)n1 ZINC001360276113 1065117296 /nfs/dbraw/zinc/11/72/96/1065117296.db2.gz YGZOMLGISOERBI-UHFFFAOYSA-N -1 3 450.387 4.667 20 0 JJADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)ccc1F ZINC001436027197 1065122906 /nfs/dbraw/zinc/12/29/06/1065122906.db2.gz VEOGCAOQPRUQJM-UHFFFAOYSA-N -1 3 459.370 4.628 20 0 JJADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)c3csc4ccccc34)c2)cc1 ZINC001360284878 1065124242 /nfs/dbraw/zinc/12/42/42/1065124242.db2.gz OARHOQMNNVUMAJ-UHFFFAOYSA-N -1 3 452.557 4.641 20 0 JJADHM O=C(NC[C@H]1CCC[C@H]1C1CC1)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC001436741223 1065434790 /nfs/dbraw/zinc/43/47/90/1065434790.db2.gz GIRBTBPNDNZWFE-WBVHZDCISA-N -1 3 450.963 4.836 20 0 JJADHM O=C([N-]c1nnc(Cc2ccc(C(F)(F)F)cc2)s1)c1csc(N2CCCCC2)n1 ZINC001436774724 1065439094 /nfs/dbraw/zinc/43/90/94/1065439094.db2.gz XTQYKLBBKQYUEL-UHFFFAOYSA-N -1 3 453.515 4.847 20 0 JJADHM Cc1c(F)cc(Cl)c2c1CCCN2C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001436951412 1065479272 /nfs/dbraw/zinc/47/92/72/1065479272.db2.gz BVPYKGXVVGBBJO-UHFFFAOYSA-N -1 3 456.942 4.596 20 0 JJADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCCc3c2cccc3C(F)(F)F)ccc1F ZINC001436967026 1065482789 /nfs/dbraw/zinc/48/27/89/1065482789.db2.gz HXEVBSHBCLVVEH-UHFFFAOYSA-N -1 3 458.477 4.514 20 0 JJADHM Cc1c(C(=O)Nc2[n-]ncc2S(=O)(=O)c2ccc(Cl)cc2)cccc1-c1ccccn1 ZINC001438032133 1065655994 /nfs/dbraw/zinc/65/59/94/1065655994.db2.gz IOBDDEALOYCRLA-UHFFFAOYSA-N -1 3 452.923 4.519 20 0 JJADHM Cc1c(C(=O)Nc2n[n-]cc2S(=O)(=O)c2ccc(Cl)cc2)cccc1-c1ccccn1 ZINC001438032133 1065655999 /nfs/dbraw/zinc/65/59/99/1065655999.db2.gz IOBDDEALOYCRLA-UHFFFAOYSA-N -1 3 452.923 4.519 20 0 JJADHM CSc1cc(C(=O)Nc2ncc(S(=O)(=O)[N-]C(C)(C)C)s2)c(Cl)cc1Cl ZINC001438527310 1065728416 /nfs/dbraw/zinc/72/84/16/1065728416.db2.gz IHLHAEXTAIQWKL-UHFFFAOYSA-N -1 3 454.426 4.501 20 0 JJADHM CCOC(=O)c1cccc2[n-]c(NC(=O)C3(c4ccc(Br)cc4)CCCC3)nc21 ZINC001439994845 1065900796 /nfs/dbraw/zinc/90/07/96/1065900796.db2.gz BJFHGBVEPCRQSA-UHFFFAOYSA-N -1 3 456.340 4.953 20 0 JJADHM COC(=O)c1cc2nc(NC(=O)c3cc(Cl)nc4ccccc43)[n-]c2c(Br)c1 ZINC001440019028 1065902959 /nfs/dbraw/zinc/90/29/59/1065902959.db2.gz NUEYDSSMRHXUQD-UHFFFAOYSA-N -1 3 459.687 4.566 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)/C=C\C3CCCCC3)c2)cc1 ZINC001440410438 1065939100 /nfs/dbraw/zinc/93/91/00/1065939100.db2.gz BTSXQEAVALXIQS-SXGWCWSVSA-N -1 3 458.580 4.970 20 0 JJADHM COc1ccc(NC(=O)c2cccc(C(C)C)n2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC001440592002 1065952638 /nfs/dbraw/zinc/95/26/38/1065952638.db2.gz FBVSCPLTQDOFAE-UHFFFAOYSA-N -1 3 459.955 4.920 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(OCC)cc3)ccc2C)cc1 ZINC001440594852 1065953220 /nfs/dbraw/zinc/95/32/20/1065953220.db2.gz BOKZIMRJWAMHIW-UHFFFAOYSA-N -1 3 454.548 4.846 20 0 JJADHM CCCc1nc(C)c(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(OCC)cc3)c2)o1 ZINC001440598459 1065953595 /nfs/dbraw/zinc/95/35/95/1065953595.db2.gz QXOZZDVMFBYTCZ-UHFFFAOYSA-N -1 3 457.552 4.696 20 0 JJADHM COc1ccc(NC(=O)C2Cc3ccccc3C2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC001440598313 1065953668 /nfs/dbraw/zinc/95/36/68/1065953668.db2.gz RRAFFFLLBASEDF-UHFFFAOYSA-N -1 3 456.951 4.503 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(Cl)nc3C)ccc2C)cc1 ZINC001440598003 1065953840 /nfs/dbraw/zinc/95/38/40/1065953840.db2.gz OXXIXPVFZVSCDY-UHFFFAOYSA-N -1 3 459.955 4.804 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](c3ccccc3)C(C)C)ccc2C)cc1 ZINC001440824762 1065982122 /nfs/dbraw/zinc/98/21/22/1065982122.db2.gz LMRDGJNWBMSUOZ-DEOSSOPVSA-N -1 3 452.576 4.932 20 0 JJADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H](c1ccccc1)c1ccccn1 ZINC001440933955 1065995393 /nfs/dbraw/zinc/99/53/93/1065995393.db2.gz NKZPVEVYPUSTOO-BDYUSTAISA-N -1 3 451.526 4.554 20 0 JJADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCC[C@H]3c3ccccc3Cl)cs2)c1 ZINC001441870911 1066075863 /nfs/dbraw/zinc/07/58/63/1066075863.db2.gz UFFBWNVNDLDCLZ-IBGZPJMESA-N -1 3 455.967 4.969 20 0 JJADHM Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001442530420 1066133744 /nfs/dbraw/zinc/13/37/44/1066133744.db2.gz RJHHLWMBDWMHNN-UHFFFAOYSA-N -1 3 450.495 4.648 20 0 JJADHM Cc1[nH]c2ccc(F)cc2c1CCNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001454573999 1066302995 /nfs/dbraw/zinc/30/29/95/1066302995.db2.gz IBWZKWSLGSTECA-VWLOTQADSA-N -1 3 459.521 4.541 20 0 JJADHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)c1ccc(Oc2cc(C)ccn2)cc1 ZINC001454629161 1066311781 /nfs/dbraw/zinc/31/17/81/1066311781.db2.gz JBYBAVOYJPJDKS-UHFFFAOYSA-N -1 3 457.490 4.727 20 0 JJADHM CC(C)[C@@H]1C[C@H](NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c2ccccc21 ZINC001454651748 1066314958 /nfs/dbraw/zinc/31/49/58/1066314958.db2.gz VJGUYMQWFBRINP-LPHOPBHVSA-N -1 3 455.407 4.663 20 0 JJADHM Cc1cc(O[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)ccc1C(C)C ZINC001443637981 1066342714 /nfs/dbraw/zinc/34/27/14/1066342714.db2.gz ARRVGBABZVQDSG-CQSZACIVSA-N -1 3 458.502 4.915 20 0 JJADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1cccc(Oc2nccs2)c1 ZINC001443641074 1066343246 /nfs/dbraw/zinc/34/32/46/1066343246.db2.gz MEECFTVSOVXCMR-UHFFFAOYSA-N -1 3 457.455 4.578 20 0 JJADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC001443641553 1066343425 /nfs/dbraw/zinc/34/34/25/1066343425.db2.gz ONAYELMWNHBXDN-UHFFFAOYSA-N -1 3 454.392 4.824 20 0 JJADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CC[C@@H](c4ccc(Cl)cc4)C3)cs2)c1 ZINC001444166054 1066424232 /nfs/dbraw/zinc/42/42/32/1066424232.db2.gz BDSXDQMHGJOBKB-MRXNPFEDSA-N -1 3 455.967 4.621 20 0 JJADHM CC(C)c1oncc1[N-]C(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl ZINC001455735253 1066427413 /nfs/dbraw/zinc/42/74/13/1066427413.db2.gz FLPZXSBHZZYVFY-UHFFFAOYSA-N -1 3 459.955 4.845 20 0 JJADHM CCC[C@@H]1SCCN1C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC001444207271 1066429222 /nfs/dbraw/zinc/42/92/22/1066429222.db2.gz IFVDHOYLJOHMMY-IBGZPJMESA-N -1 3 456.992 4.904 20 0 JJADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC001444496460 1066467646 /nfs/dbraw/zinc/46/76/46/1066467646.db2.gz ASYIQXAZAYCUJH-DYESRHJHSA-N -1 3 451.592 4.800 20 0 JJADHM Cc1cccc(Oc2ccccc2CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c1 ZINC001456152165 1066524115 /nfs/dbraw/zinc/52/41/15/1066524115.db2.gz OLYRYESBKXFJOF-UHFFFAOYSA-N -1 3 456.539 4.543 20 0 JJADHM O=C(CCc1cccnc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c(Cl)c1 ZINC001445058295 1066535347 /nfs/dbraw/zinc/53/53/47/1066535347.db2.gz TVMVQQQOSLKENU-UHFFFAOYSA-N -1 3 450.347 4.761 20 0 JJADHM CS[C@H]1CC[C@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(Cl)ccc3F)c2)C1 ZINC001445081479 1066537609 /nfs/dbraw/zinc/53/76/09/1066537609.db2.gz NJUWUVNERAJBEN-HOTGVXAUSA-N -1 3 456.992 4.602 20 0 JJADHM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001445177519 1066543862 /nfs/dbraw/zinc/54/38/62/1066543862.db2.gz JOKGQUKMSSHRQK-WNSKOXEYSA-N -1 3 456.514 4.819 20 0 JJADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001445371440 1066564077 /nfs/dbraw/zinc/56/40/77/1066564077.db2.gz AICKXHIXRMVFBP-QUCCMNQESA-N -1 3 452.551 4.720 20 0 JJADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001445378140 1066565009 /nfs/dbraw/zinc/56/50/09/1066565009.db2.gz OIZOISUXGJHLSX-WIYYLYMNSA-N -1 3 452.551 4.720 20 0 JJADHM COc1cc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)ccc1OCc1ccc(Cl)cc1 ZINC001456390705 1066576116 /nfs/dbraw/zinc/57/61/16/1066576116.db2.gz XGKDMHUOAQZZIR-LLVKDONJSA-N -1 3 454.836 4.556 20 0 JJADHM CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC001445909596 1066633734 /nfs/dbraw/zinc/63/37/34/1066633734.db2.gz HDVDFRMIMQHAJX-UHFFFAOYSA-N -1 3 454.752 4.658 20 0 JJADHM O=C(Nc1n[nH]c2c1cccc2Cl)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC001545983763 1066680271 /nfs/dbraw/zinc/68/02/71/1066680271.db2.gz SJYVXGJDVBLXPH-UHFFFAOYSA-N -1 3 452.095 4.726 20 0 JJADHM CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC001446463676 1066706979 /nfs/dbraw/zinc/70/69/79/1066706979.db2.gz ZMNNMYGVNKBKJY-OAHLLOKOSA-N -1 3 457.552 4.537 20 0 JJADHM O=C(Nc1nc2c(cccc2OCC(F)(F)F)s1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001456899714 1066717344 /nfs/dbraw/zinc/71/73/44/1066717344.db2.gz DQVLYNQWQNVMPY-UHFFFAOYSA-N -1 3 455.364 4.609 20 0 JJADHM C[S@@](=O)(=NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)c1cccc(Br)c1 ZINC001457102100 1066762335 /nfs/dbraw/zinc/76/23/35/1066762335.db2.gz NBXNACJFQDVBLS-NDEPHWFRSA-N -1 3 458.333 4.683 20 0 JJADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N(Cc1cccs1)Cc1ccncc1 ZINC001457121854 1066767167 /nfs/dbraw/zinc/76/71/67/1066767167.db2.gz GDBUDVRUTFMPOO-UHFFFAOYSA-N -1 3 454.349 4.590 20 0 JJADHM CC[C@H](C)n1ncc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)c1C1CC1 ZINC001447141449 1066778137 /nfs/dbraw/zinc/77/81/37/1066778137.db2.gz LVBSUYRMNWRCHJ-HNNXBMFYSA-N -1 3 456.543 4.924 20 0 JJADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)Nc2cncc3ccccc32)c(Cl)cc1Cl ZINC001447184136 1066780863 /nfs/dbraw/zinc/78/08/63/1066780863.db2.gz SHWQWHKUQAXSLB-UHFFFAOYSA-N -1 3 452.363 4.728 20 0 JJADHM CCc1c(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)cnn1CC(C)C ZINC001447265025 1066786142 /nfs/dbraw/zinc/78/61/42/1066786142.db2.gz FWCSXPSEPWIFEW-UHFFFAOYSA-N -1 3 458.559 4.602 20 0 JJADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC2(c3ccc(F)cc3F)CCCCC2)c1 ZINC001447298456 1066788707 /nfs/dbraw/zinc/78/87/07/1066788707.db2.gz FJMFKYHLSCVDTN-UHFFFAOYSA-N -1 3 455.461 4.809 20 0 JJADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NC3([C@H]4CCCO4)CCC3)ccc2C)c(C)c1 ZINC001457217256 1066792590 /nfs/dbraw/zinc/79/25/90/1066792590.db2.gz SATRDVLUKMUILV-JOCHJYFZSA-N -1 3 456.608 4.553 20 0 JJADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3[nH]c(C4CCCCC4)nc3c2)ccc1F ZINC001457278798 1066802738 /nfs/dbraw/zinc/80/27/38/1066802738.db2.gz ZZLWUIKVEVUVKW-UHFFFAOYSA-N -1 3 458.559 4.689 20 0 JJADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC(Cc2ccc(C(C)C)cc2)CC1 ZINC001447416034 1066806461 /nfs/dbraw/zinc/80/64/61/1066806461.db2.gz GXMANXZILSUKRF-UHFFFAOYSA-N -1 3 458.606 4.678 20 0 JJADHM O=C(CCOc1ccc(Cl)cc1Cl)Nc1ccc(I)cc1[O-] ZINC001447629844 1066831928 /nfs/dbraw/zinc/83/19/28/1066831928.db2.gz YPHAUMLINRNXIL-UHFFFAOYSA-N -1 3 452.075 4.711 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3sc(CC)nc3C)ccc2C)cc1 ZINC001448073965 1066897636 /nfs/dbraw/zinc/89/76/36/1066897636.db2.gz PZAMVEBBBRXNSN-UHFFFAOYSA-N -1 3 459.593 4.774 20 0 JJADHM Cc1ccc(-c2nc(NC(=O)Cc3csc(-c4sccc4Br)n3)n[n-]2)o1 ZINC001457689658 1066898310 /nfs/dbraw/zinc/89/83/10/1066898310.db2.gz OSVLRCMATWJWEL-UHFFFAOYSA-N -1 3 450.343 4.502 20 0 JJADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@@H](OC2CCCC2)c2ccccc2)CC1 ZINC001457734124 1066906553 /nfs/dbraw/zinc/90/65/53/1066906553.db2.gz HFPJQRSRMIAXTN-QHCPKHFHSA-N -1 3 456.970 4.923 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(S(=O)(=O)C(F)F)cc3)cc2)cc1 ZINC001458046404 1066960884 /nfs/dbraw/zinc/96/08/84/1066960884.db2.gz MEPQKRIIBKUGCY-UHFFFAOYSA-N -1 3 453.488 4.584 20 0 JJADHM O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001449030694 1066978130 /nfs/dbraw/zinc/97/81/30/1066978130.db2.gz SVKANEMFUKUYEK-LBPRGKRZSA-N -1 3 452.288 4.512 20 0 JJADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(Sc3ccccc3)cc2)ccc1F ZINC001458131774 1066984701 /nfs/dbraw/zinc/98/47/01/1066984701.db2.gz QCLIVJJICXJKOF-UHFFFAOYSA-N -1 3 458.580 4.594 20 0 JJADHM CCCCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC001449410199 1067008104 /nfs/dbraw/zinc/00/81/04/1067008104.db2.gz LEVZJUFVBKQLBX-UHFFFAOYSA-N -1 3 456.539 4.708 20 0 JJADHM O=C(Nc1ccc2c(c1)N(CC(F)F)CCS2)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001449411439 1067008592 /nfs/dbraw/zinc/00/85/92/1067008592.db2.gz ZTHPASDCIQEZCN-UHFFFAOYSA-N -1 3 457.502 4.801 20 0 JJADHM CCc1ccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)c([O-])c1 ZINC001449906128 1067036346 /nfs/dbraw/zinc/03/63/46/1067036346.db2.gz ZANQUDNQCDILBF-TZIWHRDSSA-N -1 3 456.558 4.864 20 0 JJADHM CCCC[C@H](C)N(CCCC)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC001450070273 1067047003 /nfs/dbraw/zinc/04/70/03/1067047003.db2.gz DFYJACLLYOLGEC-AWEZNQCLSA-N -1 3 454.352 4.954 20 0 JJADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC001450228605 1067061685 /nfs/dbraw/zinc/06/16/85/1067061685.db2.gz HQOOPBHPRBUABZ-SFHVURJKSA-N -1 3 455.308 4.636 20 0 JJADHM CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc3sccc3c([O-])c2)C[C@H]1c1cccc(F)c1 ZINC001451394343 1067164364 /nfs/dbraw/zinc/16/43/64/1067164364.db2.gz WLDAGZWMNGXPNJ-RBUKOAKNSA-N -1 3 456.539 4.879 20 0 JJADHM CC1(C)CC[C@@H](CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c2ccccc21 ZINC001545832883 1067183052 /nfs/dbraw/zinc/18/30/52/1067183052.db2.gz DSVUMDVJVBYQFY-INIZCTEOSA-N -1 3 455.555 4.540 20 0 JJADHM CCOc1ccc(-n2c(SCC(=O)Nc3cccc([O-])c3F)nnc2-c2ccco2)cc1 ZINC001545835600 1067187693 /nfs/dbraw/zinc/18/76/93/1067187693.db2.gz GDEIZXKPKOAKFY-UHFFFAOYSA-N -1 3 454.483 4.502 20 0 JJADHM O=C(Nc1ccc(Cl)c(I)c1)c1cc([O-])cc(Br)c1 ZINC001451927828 1067198705 /nfs/dbraw/zinc/19/87/05/1067198705.db2.gz LLLBSBCCGFEASN-UHFFFAOYSA-N -1 3 452.473 4.665 20 0 JJADHM CCOC(=O)C(=C([O-])CSc1nccn1-c1c(CC)cccc1CC)c1nc(C)cs1 ZINC001458946154 1067204923 /nfs/dbraw/zinc/20/49/23/1067204923.db2.gz VJSAWCYTZLGDMQ-IBGZPJMESA-N -1 3 457.621 4.770 20 0 JJADHM CCCCc1nc(NC(=O)c2cc(CC)nc3onc(CC(C)(C)C)c32)c(C(=O)OCC)[n-]1 ZINC001458950755 1067205958 /nfs/dbraw/zinc/20/59/58/1067205958.db2.gz BZKNXFFBXNJVAJ-UHFFFAOYSA-N -1 3 455.559 4.869 20 0 JJADHM Cc1[nH]nc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(Cl)ccc3F)c2)c1Cl ZINC001452613048 1067236730 /nfs/dbraw/zinc/23/67/30/1067236730.db2.gz RKPAFYDXBGMZNH-UHFFFAOYSA-N -1 3 457.314 4.526 20 0 JJADHM CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1cc(Cc3ccccc3)ccc1[O-])C2 ZINC001452922730 1067264604 /nfs/dbraw/zinc/26/46/04/1067264604.db2.gz QVYPQCTUJJHWSG-IDISGSTGSA-N -1 3 450.579 4.750 20 0 JJADHM Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001459377387 1067307207 /nfs/dbraw/zinc/30/72/07/1067307207.db2.gz PCUUQMXKQUTHDQ-UHFFFAOYSA-N -1 3 459.518 4.664 20 0 JJADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC001453674723 1067321197 /nfs/dbraw/zinc/32/11/97/1067321197.db2.gz PIHWUEONOHGMCJ-CQSZACIVSA-N -1 3 450.402 4.908 20 0 JJADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC[C@H](c4ccc(CC)cc4)C3)nc(=O)c2c1C ZINC001460064493 1067543630 /nfs/dbraw/zinc/54/36/30/1067543630.db2.gz KCZKDLHTTGZQHN-LPHOPBHVSA-N -1 3 453.608 4.973 20 0 JJADHM COc1ccc(NCc2cc(F)ccc2Oc2cncc(Cl)c2)cc1[N-]S(C)(=O)=O ZINC001461303687 1067822902 /nfs/dbraw/zinc/82/29/02/1067822902.db2.gz LEIDXDRTYCJGJD-UHFFFAOYSA-N -1 3 451.907 4.659 20 0 JJADHM CSc1cc(Cl)c(C(F)(F)F)cc1[N-]C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC001461868024 1067951003 /nfs/dbraw/zinc/95/10/03/1067951003.db2.gz NNEGTHTUMCHZNR-UHFFFAOYSA-N -1 3 454.861 4.618 20 0 JJADHM COCc1ccccc1/C=C(\C)CN1CC[C@@H](c2cccc(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001462412933 1068069081 /nfs/dbraw/zinc/06/90/81/1068069081.db2.gz HIVLMMQAQFIRIY-HEIXFDNSSA-N -1 3 464.503 4.912 20 0 JJADHM O=S(=O)([N-]CCCOC1CCCCC1)c1csc(-c2ccc(Br)cc2)n1 ZINC001462744808 1068153111 /nfs/dbraw/zinc/15/31/11/1068153111.db2.gz QGHREDIJTQBQKJ-UHFFFAOYSA-N -1 3 459.431 4.590 20 0 JJADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)c1ccsc1 ZINC001462825616 1068178445 /nfs/dbraw/zinc/17/84/45/1068178445.db2.gz HYYCJGMZOAKNET-QGZVFWFLSA-N -1 3 456.058 4.886 20 0 JJADHM CCCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F)c1ccc(OC)cc1 ZINC001463040791 1068261255 /nfs/dbraw/zinc/26/12/55/1068261255.db2.gz LKXPOQVSAFZWMU-LJQANCHMSA-N -1 3 457.951 4.874 20 0 JJADHM O=S(=O)([N-]Cc1ccccc1COc1ccccc1Cl)c1cccnc1C(F)(F)F ZINC001463086595 1068282582 /nfs/dbraw/zinc/28/25/82/1068282582.db2.gz DTDIICXRGFGYPV-UHFFFAOYSA-N -1 3 456.873 4.811 20 0 JJADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl)c1ccc(F)cc1 ZINC001463198022 1068317661 /nfs/dbraw/zinc/31/76/61/1068317661.db2.gz OJEPUKJNJAFEAZ-GFCCVEGCSA-N -1 3 457.148 4.561 20 0 JJADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)c(C)c2)c2ccccc2Cl)s1 ZINC001463203175 1068318664 /nfs/dbraw/zinc/31/86/64/1068318664.db2.gz GMDJNWZXSADHCF-IBGZPJMESA-N -1 3 453.944 4.704 20 0 JJADHM CC(C)(Cc1cccc(Br)c1)[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001463209611 1068321473 /nfs/dbraw/zinc/32/14/73/1068321473.db2.gz LMKJHEQDGSJWIJ-UHFFFAOYSA-N -1 3 451.411 4.872 20 0 JJADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C)c(NC(=O)Nc4ccccc4)c3)nc21 ZINC001463314162 1068352564 /nfs/dbraw/zinc/35/25/64/1068352564.db2.gz OUTHWBNQJMUBPG-UHFFFAOYSA-N -1 3 457.490 4.944 20 0 JJADHM COC(=O)c1cc2nc(NC(=O)c3ccc(Oc4ccccc4)o3)[n-]c2c(Br)c1 ZINC001463316952 1068354001 /nfs/dbraw/zinc/35/40/01/1068354001.db2.gz DQCIMOZXXZQNDY-UHFFFAOYSA-N -1 3 456.252 4.750 20 0 JJADHM C[C@@H](Cc1cccnc1)[N-]C(=O)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1 ZINC001463350649 1068367513 /nfs/dbraw/zinc/36/75/13/1068367513.db2.gz BIPHCMQTQVMHOY-JTQLQIEISA-N -1 3 453.205 4.582 20 0 JJADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC001463402028 1068385264 /nfs/dbraw/zinc/38/52/64/1068385264.db2.gz XGZNQANJQSFCAL-GBXCKJPGSA-N -1 3 453.535 4.752 20 0 JJADHM O=S(=O)([N-][C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1c[nH]c2nccc(Cl)c12 ZINC001463408021 1068387118 /nfs/dbraw/zinc/38/71/18/1068387118.db2.gz AHJLLLWRVYPDMB-ZDUSSCGKSA-N -1 3 457.783 4.817 20 0 JJADHM C[C@@H](NC(=O)c1c[n-]c2ccc(Br)cc2c1=O)c1ccc(Br)cc1 ZINC001463551133 1068438764 /nfs/dbraw/zinc/43/87/64/1068438764.db2.gz VVEHGLQAXJNSSV-SNVBAGLBSA-N -1 3 450.130 4.544 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)C(C)(C)C(C)(F)F)c2)cc1 ZINC001463583950 1068456294 /nfs/dbraw/zinc/45/62/94/1068456294.db2.gz UFVLFFHPOPSAKP-UHFFFAOYSA-N -1 3 456.511 4.515 20 0 JJADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1ccc(C(F)(F)F)cc1 ZINC001463627080 1068472799 /nfs/dbraw/zinc/47/27/99/1068472799.db2.gz QQKZWLYCEGHKFG-JOCHJYFZSA-N -1 3 456.464 4.631 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CCC(=O)c3ccc(F)c(F)c3)cc2)cc1 ZINC001463636436 1068476911 /nfs/dbraw/zinc/47/69/11/1068476911.db2.gz SFOXEINUTSMHSM-UHFFFAOYSA-N -1 3 458.486 4.676 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H](c3ccc(Cl)cc3)N(C)C)cc2)cc1 ZINC001463633957 1068476969 /nfs/dbraw/zinc/47/69/69/1068476969.db2.gz NGKLASOLSKDGKP-QFIPXVFZSA-N -1 3 457.983 4.691 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)COc3cccc(C)c3)ccc2C)cc1 ZINC001463696269 1068497182 /nfs/dbraw/zinc/49/71/82/1068497182.db2.gz XIKWEOHIXABSQW-UHFFFAOYSA-N -1 3 454.548 4.520 20 0 JJADHM COCC[C@H]([N-]S(=O)(=O)c1csnc1-c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC001463707994 1068501662 /nfs/dbraw/zinc/50/16/62/1068501662.db2.gz QMLOTGQQHTVPDN-KRWDZBQOSA-N -1 3 456.511 4.885 20 0 JJADHM Cc1ccc(CCCNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)c(C)c1 ZINC001463742163 1068509081 /nfs/dbraw/zinc/50/90/81/1068509081.db2.gz FKMSYJUGHHJMEU-UHFFFAOYSA-N -1 3 454.567 4.914 20 0 JJADHM Cc1nc(S(=O)(=O)[N-]CCCc2cn(-c3ccccc3)nc2C)c(-c2ccccc2)s1 ZINC001463785438 1068523572 /nfs/dbraw/zinc/52/35/72/1068523572.db2.gz NNNDUWVZCXCYNR-UHFFFAOYSA-N -1 3 452.605 4.524 20 0 JJADHM O=S(=O)([N-]CCc1ccc(Br)cc1Cl)c1cnc(-c2ccccc2)s1 ZINC001463791414 1068525410 /nfs/dbraw/zinc/52/54/10/1068525410.db2.gz ZKMIOEOQPIPTQL-UHFFFAOYSA-N -1 3 457.802 4.747 20 0 JJADHM O=C(c1cc([O-])cc(Br)c1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001463825246 1068536856 /nfs/dbraw/zinc/53/68/56/1068536856.db2.gz UMMLKWXNOGJCPJ-UHFFFAOYSA-N -1 3 457.290 4.522 20 0 JJADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C1CCC(F)(F)CC1 ZINC001463973858 1068579308 /nfs/dbraw/zinc/57/93/08/1068579308.db2.gz AJCYHGBTBWUARU-SECBINFHSA-N -1 3 450.267 4.960 20 0 JJADHM COc1cc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])ccc1NC(=O)c1cccnc1 ZINC001464106129 1068617550 /nfs/dbraw/zinc/61/75/50/1068617550.db2.gz IXDJGBTXZAVJPG-UHFFFAOYSA-N -1 3 453.498 4.891 20 0 JJADHM CCCOc1ccc([C@@H](C)NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)cc1OC ZINC001464207928 1068658143 /nfs/dbraw/zinc/65/81/43/1068658143.db2.gz BFKDSQWGMVTUBF-CYBMUJFWSA-N -1 3 459.340 4.579 20 0 JJADHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)Nc2ccccc2OCC(C)C)c1[O-] ZINC001464317459 1068703247 /nfs/dbraw/zinc/70/32/47/1068703247.db2.gz JPBPCGWWPAAFHQ-UHFFFAOYSA-N -1 3 458.514 4.784 20 0 JJADHM Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001464321544 1068705147 /nfs/dbraw/zinc/70/51/47/1068705147.db2.gz KIBYRNHXLNTFDP-UHFFFAOYSA-N -1 3 452.576 4.573 20 0 JJADHM CC(=O)Nc1cc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)ccc1Cl ZINC001464482618 1068762621 /nfs/dbraw/zinc/76/26/21/1068762621.db2.gz FZWRXPAVXHDGSJ-OAQYLSRUSA-N -1 3 451.910 4.504 20 0 JJADHM CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001464567789 1068784649 /nfs/dbraw/zinc/78/46/49/1068784649.db2.gz ACTSDKPSQMZKTO-RTBURBONSA-N -1 3 459.974 4.576 20 0 JJADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(Cc1cccc(C(F)(F)F)c1)C(C)C ZINC001464596740 1068794237 /nfs/dbraw/zinc/79/42/37/1068794237.db2.gz KJCUYPMSQSCMOW-UHFFFAOYSA-N -1 3 458.484 4.529 20 0 JJADHM C[C@H]([N-]S(=O)(=O)c1oc2ccccc2c1Br)c1cc(Cl)cc2c1OCC2 ZINC001464630169 1068804051 /nfs/dbraw/zinc/80/40/51/1068804051.db2.gz FVZYHQPFTSGVGP-JTQLQIEISA-N -1 3 456.745 4.823 20 0 JJADHM O=C(Nc1n[nH]c(-c2ccc(Br)cc2)n1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001464634490 1068805548 /nfs/dbraw/zinc/80/55/48/1068805548.db2.gz DCOKZBNXAPJYEW-UHFFFAOYSA-N -1 3 451.280 4.984 20 0 JJADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](C)c1ccccc1Oc1ccccc1 ZINC001464661810 1068816279 /nfs/dbraw/zinc/81/62/79/1068816279.db2.gz OEUHFPWWUIWYHZ-GOSISDBHSA-N -1 3 454.530 4.743 20 0 JJADHM C[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001464675354 1068820933 /nfs/dbraw/zinc/82/09/33/1068820933.db2.gz GMQWEPMCLSPRMU-DENIHFKCSA-N -1 3 452.595 4.943 20 0 JJADHM Cc1c([O-])ccc2c(CSc3nnc4n3c3ccccc3c(=O)n4Cc3ccccc3)cc(=O)oc12 ZINC000009946975 195030749 /nfs/dbraw/zinc/03/07/49/195030749.db2.gz MIKCWGYBVAQBRL-UHFFFAOYSA-N -1 3 496.548 4.505 20 0 JJADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000009514726 555305408 /nfs/dbraw/zinc/30/54/08/555305408.db2.gz SIRJOZGLAWNJBB-HSZRJFAPSA-N -1 3 496.560 4.765 20 0 JJADHM COc1cc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCN1CCCC1 ZINC000040567741 563146121 /nfs/dbraw/zinc/14/61/21/563146121.db2.gz CYLIAPTVMNVPET-UHFFFAOYSA-N -1 3 452.576 4.638 20 0 JJADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)CCCc3sccc3C)c2)cc1 ZINC001435170166 1064565180 /nfs/dbraw/zinc/56/51/80/1064565180.db2.gz NYOVREVTZMWAEU-UHFFFAOYSA-N -1 3 458.605 4.505 20 0 JJADHM COc1ccc(Sc2nsc([N-]C(=O)c3cnn(Cc4ccccc4)c3Cl)n2)cc1 ZINC001435431572 1064753765 /nfs/dbraw/zinc/75/37/65/1064753765.db2.gz ODUQUBRBOPGHGN-UHFFFAOYSA-N -1 3 457.968 4.848 20 0 JJADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NC2(c3c(Cl)cccc3Cl)CC2)ccc1F ZINC001435523951 1064806599 /nfs/dbraw/zinc/80/65/99/1064806599.db2.gz NELUSNMZMTZGNJ-UHFFFAOYSA-N -1 3 459.370 4.628 20 0 JJADHM O=C([N-]C1Cc2ccccc2C1)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1 ZINC001435824889 1065011054 /nfs/dbraw/zinc/01/10/54/1065011054.db2.gz DOADNNJAKDCDNT-UHFFFAOYSA-N -1 3 450.201 4.723 20 0 JJADHM CCCCc1nc(NC(=O)CSCc2ccc(Br)cc2)c(C(=O)OCC)[n-]1 ZINC001435887208 1065044995 /nfs/dbraw/zinc/04/49/95/1065044995.db2.gz PCZZQLGQXYHOAH-UHFFFAOYSA-N -1 3 454.390 4.563 20 0 JJADHM CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC001436017560 1065115912 /nfs/dbraw/zinc/11/59/12/1065115912.db2.gz SFPGNSRLWWBENW-UHFFFAOYSA-N -1 3 452.979 4.774 20 0 JJADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)c3ccc4sccc4c3)c2)cc1 ZINC001360284497 1065123526 /nfs/dbraw/zinc/12/35/26/1065123526.db2.gz BMUBPJJIGYWXOD-UHFFFAOYSA-N -1 3 452.557 4.641 20 0 JJADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1csc(Cc2cccc(C(F)(F)F)c2)n1 ZINC001436538450 1065350774 /nfs/dbraw/zinc/35/07/74/1065350774.db2.gz LSFGOVQNRAONEB-UHFFFAOYSA-N -1 3 454.499 4.751 20 0 JJADHM O=C(NC[C@@H]1CCC[C@@H]1C1CC1)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC001436741195 1065434713 /nfs/dbraw/zinc/43/47/13/1065434713.db2.gz GIRBTBPNDNZWFE-DOTOQJQBSA-N -1 3 450.963 4.836 20 0 JJADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)c2ccc3ccccc3c2)ccc1F ZINC001438202676 1065694535 /nfs/dbraw/zinc/69/45/35/1065694535.db2.gz CALQBPALTRHDSQ-UHFFFAOYSA-N -1 3 456.583 4.763 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccc(OC(F)F)cc3F)cc2)cc1 ZINC001440520743 1065946977 /nfs/dbraw/zinc/94/69/77/1065946977.db2.gz QPDHOOFCJIOGOO-UHFFFAOYSA-N -1 3 450.438 4.789 20 0 JJADHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(CN2CCCC2)o1 ZINC001440560929 1065949542 /nfs/dbraw/zinc/94/95/42/1065949542.db2.gz DFKWTAKWHBBDTI-UHFFFAOYSA-N -1 3 459.955 4.582 20 0 JJADHM CN(C(=O)c1c[n-]c2ccc(I)cc2c1=O)c1ccc2ccccc2c1 ZINC001440888969 1065990365 /nfs/dbraw/zinc/99/03/65/1065990365.db2.gz CUKTVYBFLVNEFE-UHFFFAOYSA-N -1 3 454.267 4.563 20 0 JJADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)c1 ZINC001440895055 1065990927 /nfs/dbraw/zinc/99/09/27/1065990927.db2.gz OOJOBFBRKBNJHP-JOCHJYFZSA-N -1 3 455.514 4.569 20 0 JJADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC001441038379 1066002693 /nfs/dbraw/zinc/00/26/93/1066002693.db2.gz MKZWMXSUEYAFIP-UHFFFAOYSA-N -1 3 457.393 4.841 20 0 JJADHM C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1cccc(OC(F)F)c1 ZINC001441358928 1066034110 /nfs/dbraw/zinc/03/41/10/1066034110.db2.gz FCIDTXXWWBDWLC-OPAMFIHVSA-N -1 3 454.473 4.732 20 0 JJADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H](C)c3cccc(OC(C)C)c3)cs2)c1 ZINC001441530290 1066048221 /nfs/dbraw/zinc/04/82/21/1066048221.db2.gz BJBQZPIXMOHJEO-INIZCTEOSA-N -1 3 453.564 4.617 20 0 JJADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC001441937955 1066081846 /nfs/dbraw/zinc/08/18/46/1066081846.db2.gz WKPOTHZLVRMGBB-UHFFFAOYSA-N -1 3 457.361 4.571 20 0 JJADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)CCCCCc2cc(-c3cccc(F)c3)no2)c1 ZINC001442415352 1066126235 /nfs/dbraw/zinc/12/62/35/1066126235.db2.gz QAQYDKRKJMLIFA-UHFFFAOYSA-N -1 3 451.498 4.796 20 0 JJADHM O=C([N-]c1cc(F)ccc1SCC(F)F)c1cn(-c2ccc(Br)cc2)nn1 ZINC001360970134 1066126955 /nfs/dbraw/zinc/12/69/55/1066126955.db2.gz FFAPKRGGQGAITM-UHFFFAOYSA-N -1 3 457.275 4.778 20 0 JJADHM Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)c4[n-]cnc4C(F)(F)F)cc3s2)s1 ZINC001442806418 1066225704 /nfs/dbraw/zinc/22/57/04/1066225704.db2.gz HNCPEKNHBLALNI-UHFFFAOYSA-N -1 3 451.455 4.913 20 0 JJADHM Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)c4nc[n-]c4C(F)(F)F)cc3s2)s1 ZINC001442806418 1066225721 /nfs/dbraw/zinc/22/57/21/1066225721.db2.gz HNCPEKNHBLALNI-UHFFFAOYSA-N -1 3 451.455 4.913 20 0 JJADHM CC[C@H](C)[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001443136320 1066272479 /nfs/dbraw/zinc/27/24/79/1066272479.db2.gz JYAWETKJECRNNC-BVZFJXPGSA-N -1 3 455.574 4.624 20 0 JJADHM O=C(Cc1ccc([O-])c(Cl)c1)N1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001454597897 1066307651 /nfs/dbraw/zinc/30/76/51/1066307651.db2.gz BOWQYRPPBDXRIN-UHFFFAOYSA-N -1 3 450.966 4.512 20 0 JJADHM Cc1[nH]c(-c2cccc(C)c2)nc1C(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001454929504 1066343061 /nfs/dbraw/zinc/34/30/61/1066343061.db2.gz ZTAQMIPCNCAEFY-KRWDZBQOSA-N -1 3 456.468 4.506 20 0 JJADHM Cc1nc(-c2ccsc2)ccc1C(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001454924504 1066343447 /nfs/dbraw/zinc/34/34/47/1066343447.db2.gz RSXADAYATXKRLT-OAHLLOKOSA-N -1 3 459.493 4.931 20 0 JJADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3CC[C@]3(C)C3CCCCC3)c2)c1 ZINC001455120300 1066363563 /nfs/dbraw/zinc/36/35/63/1066363563.db2.gz ZUEKECVXVHSBPL-AREMUKBSSA-N -1 3 452.551 4.847 20 0 JJADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)/C=C(/C)c3ccccc3C)c2)cc1 ZINC001444081078 1066400723 /nfs/dbraw/zinc/40/07/23/1066400723.db2.gz NJADWBBLBFAVNW-CYVLTUHYSA-N -1 3 450.560 4.524 20 0 JJADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)c(Cl)c1 ZINC001444146870 1066418062 /nfs/dbraw/zinc/41/80/62/1066418062.db2.gz FAOFKOVMPXQKBK-UHFFFAOYSA-N -1 3 459.886 4.911 20 0 JJADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@H](C)O[C@@H](CC)C3)c2)cc1 ZINC001444155323 1066420104 /nfs/dbraw/zinc/42/01/04/1066420104.db2.gz WTHMUERVNBUZRG-UGKGYDQZSA-N -1 3 458.624 4.778 20 0 JJADHM CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c1 ZINC001444197641 1066428326 /nfs/dbraw/zinc/42/83/26/1066428326.db2.gz VCSMDUOSGHQLFO-UHFFFAOYSA-N -1 3 452.964 4.876 20 0 JJADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)s1 ZINC001444259295 1066437791 /nfs/dbraw/zinc/43/77/91/1066437791.db2.gz GLCHQFXYFWBYOI-UHFFFAOYSA-N -1 3 453.446 4.947 20 0 JJADHM CC[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1cccc2ccccc21 ZINC001455885797 1066446158 /nfs/dbraw/zinc/44/61/58/1066446158.db2.gz FZKICPHMAFUROV-OAQYLSRUSA-N -1 3 451.523 4.989 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCc2c(Cl)cccc2C1 ZINC001444407210 1066459410 /nfs/dbraw/zinc/45/94/10/1066459410.db2.gz LFTGYDIMNBKOHN-UHFFFAOYSA-N -1 3 458.942 4.787 20 0 JJADHM CN(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccc(Br)cc1 ZINC001456077324 1066504554 /nfs/dbraw/zinc/50/45/54/1066504554.db2.gz OBHPLEBPGKZDDC-OAQYLSRUSA-N -1 3 453.336 4.679 20 0 JJADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@H](C)Oc3ccccc3C)c2)cc1 ZINC001444810244 1066507781 /nfs/dbraw/zinc/50/77/81/1066507781.db2.gz JGDZCRBCPKPHPW-FQEVSTJZSA-N -1 3 452.576 4.610 20 0 JJADHM O=C(/C=C/C1CCOCC1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c(Cl)c1 ZINC001445060106 1066535753 /nfs/dbraw/zinc/53/57/53/1066535753.db2.gz ZRROIGJZUSVKIH-VMPITWQZSA-N -1 3 455.363 4.716 20 0 JJADHM CS[C@H]1CC[C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(Cl)ccc3F)c2)C1 ZINC001445081462 1066537050 /nfs/dbraw/zinc/53/70/50/1066537050.db2.gz NJUWUVNERAJBEN-CVEARBPZSA-N -1 3 456.992 4.602 20 0 JJADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1cnc(-c2ccccc2)s1 ZINC001445170293 1066542770 /nfs/dbraw/zinc/54/27/70/1066542770.db2.gz AQXSJZJFSMDVAR-QHCPKHFHSA-N -1 3 457.555 4.693 20 0 JJADHM Cc1cnc([C@H](C)NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c2)s1 ZINC001445390525 1066566204 /nfs/dbraw/zinc/56/62/04/1066566204.db2.gz JUSARCIRZCCXTC-SFHVURJKSA-N -1 3 457.621 4.977 20 0 JJADHM Cc1cc(-c2cc(C(=O)NCc3ccc([O-])c(Br)c3)c3c(C)noc3n2)c(C)o1 ZINC001445914684 1066634447 /nfs/dbraw/zinc/63/44/47/1066634447.db2.gz YLVWBYQEIASYHI-UHFFFAOYSA-N -1 3 456.296 4.806 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)c3ccc(F)cc3)c2)cc1 ZINC001456735225 1066677493 /nfs/dbraw/zinc/67/74/93/1066677493.db2.gz RLXHPBONMYNPDN-QGZVFWFLSA-N -1 3 456.539 4.825 20 0 JJADHM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001446279506 1066685309 /nfs/dbraw/zinc/68/53/09/1066685309.db2.gz KPEDTIQCUUWQRD-HZPDHXFCSA-N -1 3 456.514 4.914 20 0 JJADHM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001446279498 1066685399 /nfs/dbraw/zinc/68/53/99/1066685399.db2.gz KPEDTIQCUUWQRD-HOTGVXAUSA-N -1 3 456.514 4.914 20 0 JJADHM O=C(N[C@@H](Cc1ccccc1)c1ccccn1)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001456793466 1066691628 /nfs/dbraw/zinc/69/16/28/1066691628.db2.gz BLBYWBZPOZGNMB-IBGZPJMESA-N -1 3 453.420 4.536 20 0 JJADHM O=C(Nc1ccc(SC2CCCC2)cc1)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC001446376349 1066697746 /nfs/dbraw/zinc/69/77/46/1066697746.db2.gz GXELFTCRASTYQM-UHFFFAOYSA-N -1 3 452.548 4.693 20 0 JJADHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccccc1O2 ZINC001456885475 1066713854 /nfs/dbraw/zinc/71/38/54/1066713854.db2.gz KXSUVCZVJSNVJY-CYFREDJKSA-N -1 3 458.942 4.679 20 0 JJADHM Cc1c(C(=O)N[C@@]2(C)CCCOC2)sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC001446905951 1066755496 /nfs/dbraw/zinc/75/54/96/1066755496.db2.gz PLQYWFQGLKQHCP-QHCPKHFHSA-N -1 3 457.621 4.501 20 0 JJADHM C[S@](=O)(=NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)c1cccc(Br)c1 ZINC001457102098 1066762525 /nfs/dbraw/zinc/76/25/25/1066762525.db2.gz NBXNACJFQDVBLS-MUUNZHRXSA-N -1 3 458.333 4.683 20 0 JJADHM CCOC(=O)c1ccc(NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)c([O-])c1 ZINC001447065630 1066770195 /nfs/dbraw/zinc/77/01/95/1066770195.db2.gz ZBTWAMMTZSCMIN-UHFFFAOYSA-N -1 3 457.280 4.771 20 0 JJADHM CCOC(=O)c1ccc(NC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)c([O-])c1 ZINC001447056788 1066770297 /nfs/dbraw/zinc/77/02/97/1066770297.db2.gz BSTLVSFXLXNTCL-UHFFFAOYSA-N -1 3 456.545 4.614 20 0 JJADHM C[C@@H](C(=O)Nc1ccc(I)cc1[O-])c1ccc(Br)s1 ZINC001447630241 1066831986 /nfs/dbraw/zinc/83/19/86/1066831986.db2.gz YQPMITFCVJHYBV-SSDOTTSWSA-N -1 3 452.111 4.563 20 0 JJADHM Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)nn1[C@H](C)C1CC1 ZINC001457563734 1066862635 /nfs/dbraw/zinc/86/26/35/1066862635.db2.gz AFJMSAJMZKAMQB-MRXNPFEDSA-N -1 3 456.543 4.663 20 0 JJADHM Cc1onc(-c2cccc(F)c2)c1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC001457735358 1066907179 /nfs/dbraw/zinc/90/71/79/1066907179.db2.gz QELGETQZFKLVQP-UHFFFAOYSA-N -1 3 457.889 4.639 20 0 JJADHM Cc1onc(-c2ccccc2C)c1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC001457737353 1066907290 /nfs/dbraw/zinc/90/72/90/1066907290.db2.gz SGOUDPQFYNYMCJ-UHFFFAOYSA-N -1 3 453.926 4.808 20 0 JJADHM Cc1c(C(=O)N[C@H]2CSC2(C)C)sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC001448184090 1066907509 /nfs/dbraw/zinc/90/75/09/1066907509.db2.gz FJGRETIYQOJTLQ-HNNXBMFYSA-N -1 3 459.662 4.826 20 0 JJADHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1 ZINC001457751034 1066911125 /nfs/dbraw/zinc/91/11/25/1066911125.db2.gz PJBUJWTWOIFLSN-UHFFFAOYSA-N -1 3 453.907 4.816 20 0 JJADHM CCC1(CC)[C@H](N(C)C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C[C@@H]1OC ZINC001546004421 1066917253 /nfs/dbraw/zinc/91/72/53/1066917253.db2.gz CMZUULCZINPXGE-CVEARBPZSA-N -1 3 455.780 4.610 20 0 JJADHM CSC1(CNC(=O)c2sc3[n-]c(CSc4cc(C)ccc4C)nc(=O)c3c2C)CC1 ZINC001457778381 1066917773 /nfs/dbraw/zinc/91/77/73/1066917773.db2.gz NZASJOCZZHJMSR-UHFFFAOYSA-N -1 3 459.662 4.828 20 0 JJADHM C[C@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001457800509 1066923511 /nfs/dbraw/zinc/92/35/11/1066923511.db2.gz CLBWYZXWFAQGHE-HOTGVXAUSA-N -1 3 458.493 4.535 20 0 JJADHM CC[C@H](C)[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C)C(F)(F)F ZINC001448553664 1066938973 /nfs/dbraw/zinc/93/89/73/1066938973.db2.gz QZIDWDSGBFIJIW-ORAYPTAESA-N -1 3 458.502 4.511 20 0 JJADHM O=C(NC[C@H]1CCN1C1CCCCC1)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC001457932339 1066942636 /nfs/dbraw/zinc/94/26/36/1066942636.db2.gz FEJCMHKLVAPSGK-CYBMUJFWSA-N -1 3 457.789 4.675 20 0 JJADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(CN(C)C)c(Cl)c3)cc2)cc1 ZINC001448734164 1066954721 /nfs/dbraw/zinc/95/47/21/1066954721.db2.gz COKOPKZGJIYUDK-UHFFFAOYSA-N -1 3 457.983 4.763 20 0 JJADHM O=C(NCCNc1nc(-c2ccccc2C(F)(F)F)nc2ccccc21)c1ccc([O-])cc1 ZINC001458109783 1066978545 /nfs/dbraw/zinc/97/85/45/1066978545.db2.gz VNIBVCDAVMCOFY-UHFFFAOYSA-N -1 3 452.436 4.863 20 0 JJADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@](C)(Cc2ccc(Cl)cc2)C(C)C)c1 ZINC001450076049 1067047513 /nfs/dbraw/zinc/04/75/13/1067047513.db2.gz QJQXTRCJMADTRW-XMMPIXPASA-N -1 3 455.942 4.982 20 0 JJADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC001450078859 1067047963 /nfs/dbraw/zinc/04/79/63/1067047963.db2.gz MLLKCBWUSXDQIF-UHFFFAOYSA-N -1 3 452.820 4.676 20 0 JJADHM CC(C)(C)Sc1ccc(NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)cc1F ZINC001450197259 1067058866 /nfs/dbraw/zinc/05/88/66/1067058866.db2.gz KNKXRDLWPWBUDT-UHFFFAOYSA-N -1 3 458.527 4.688 20 0 JJADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC001450233607 1067062382 /nfs/dbraw/zinc/06/23/82/1067062382.db2.gz ZNNVUJPEVOQBCR-SNVBAGLBSA-N -1 3 458.139 4.762 20 0 JJADHM CC(=O)c1cccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)c1[O-] ZINC001450601528 1067094051 /nfs/dbraw/zinc/09/40/51/1067094051.db2.gz RXWPEGWGXANFQK-QGZVFWFLSA-N -1 3 452.429 4.818 20 0 JJADHM CC(C)(C)OC(=O)N1CCCC[C@H](CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)C1 ZINC001458737425 1067126938 /nfs/dbraw/zinc/12/69/38/1067126938.db2.gz XWNHMMKOIXYNOQ-INIZCTEOSA-N -1 3 455.584 4.650 20 0 JJADHM CC(C)(C)OC(=O)Nc1ccc2sc(C(=O)Nc3cccc(Cc4nnn[n-]4)c3)cc2c1 ZINC001450915239 1067136111 /nfs/dbraw/zinc/13/61/11/1067136111.db2.gz DRYHBWXXUIOKAD-UHFFFAOYSA-N -1 3 450.524 4.605 20 0 JJADHM CC(C)(C)OC(=O)Nc1ccc2sc(C(=O)Nc3cccc(Cc4nn[n-]n4)c3)cc2c1 ZINC001450915239 1067136117 /nfs/dbraw/zinc/13/61/17/1067136117.db2.gz DRYHBWXXUIOKAD-UHFFFAOYSA-N -1 3 450.524 4.605 20 0 JJADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NCC(C)(C)OCC3CC3)ccc2C)c(C)c1 ZINC001451574644 1067179248 /nfs/dbraw/zinc/17/92/48/1067179248.db2.gz KQIPEFMZMLJAAM-UHFFFAOYSA-N -1 3 458.624 4.656 20 0 JJADHM CCCCc1nc(NC(=O)c2cccc(-c3noc(CC(C)(C)C)n3)c2)c(C(=O)OCC)[n-]1 ZINC001458955852 1067207997 /nfs/dbraw/zinc/20/79/97/1067207997.db2.gz RRAUZMRDMNUUCN-UHFFFAOYSA-N -1 3 453.543 4.820 20 0 JJADHM CC1(C)CN(C(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)c2cc(F)ccc21 ZINC001452765474 1067249605 /nfs/dbraw/zinc/24/96/05/1067249605.db2.gz DVLKXMOGBYLCJX-UHFFFAOYSA-N -1 3 457.354 4.511 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CC[C@H](C4CCCCC4)C3)ccc2C)cc1 ZINC001452952764 1067267054 /nfs/dbraw/zinc/26/70/54/1067267054.db2.gz KIBCTSUFRWHLJJ-NRFANRHFSA-N -1 3 456.608 4.847 20 0 JJADHM COc1ccc(-c2cc3[n-]c(CN[C@H](CCO)c4ccc(Cl)cc4)nc(=O)c3s2)cc1 ZINC001460173561 1067570179 /nfs/dbraw/zinc/57/01/79/1067570179.db2.gz SVQWAEGVTLNLGK-GOSISDBHSA-N -1 3 455.967 4.527 20 0 JJADHM O=C1C[C@@H](NCc2cccc([O-])c2Br)CN1c1ccc(Oc2ccccc2)cc1 ZINC001461096288 1067781428 /nfs/dbraw/zinc/78/14/28/1067781428.db2.gz PMVUJPNVVFLTNZ-QGZVFWFLSA-N -1 3 453.336 4.842 20 0 JJADHM CC(C)(C)OC(=O)N1Cc2sc(C(=O)[N-]c3nocc3C3CC3)c(Br)c2C1 ZINC001462558901 1068098206 /nfs/dbraw/zinc/09/82/06/1068098206.db2.gz ZFNJBNIBOPACRX-UHFFFAOYSA-N -1 3 454.346 4.879 20 0 JJADHM O=S(=O)([N-]CCc1cccc(Cl)c1)c1csc(-c2ccc(Br)cc2)n1 ZINC001462701127 1068135832 /nfs/dbraw/zinc/13/58/32/1068135832.db2.gz LAGKUZROINXAJL-UHFFFAOYSA-N -1 3 457.802 4.747 20 0 JJADHM O=S(=O)([N-]C(c1ccc(F)cc1)c1ccc(F)cc1)c1cc2nc(Cl)ncc2s1 ZINC001462904665 1068210465 /nfs/dbraw/zinc/21/04/65/1068210465.db2.gz ZJEYPQGFLPUJIJ-UHFFFAOYSA-N -1 3 451.907 4.691 20 0 JJADHM O=S(=O)([N-]CCOc1ccccc1-c1ccccc1)c1ccc(Br)cc1F ZINC001462928965 1068217623 /nfs/dbraw/zinc/21/76/23/1068217623.db2.gz IXKFKOYGCRRUKH-UHFFFAOYSA-N -1 3 450.329 4.613 20 0 JJADHM O=S(=O)([N-][C@H]1CCCc2cc(OC(F)F)ccc21)c1ccc(Br)cc1F ZINC001462933277 1068220311 /nfs/dbraw/zinc/22/03/11/1068220311.db2.gz ZIAVWVUPICUVOF-HNNXBMFYSA-N -1 3 450.276 4.546 20 0 JJADHM Cc1ccc(-c2nc(CC[N-]S(=O)(=O)c3c(Cl)cccc3Br)co2)cc1 ZINC001462986611 1068240359 /nfs/dbraw/zinc/24/03/59/1068240359.db2.gz UWSAWAQVXPTGEE-UHFFFAOYSA-N -1 3 455.761 4.587 20 0 JJADHM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC001463079854 1068280803 /nfs/dbraw/zinc/28/08/03/1068280803.db2.gz ZVKDLDBMFRIVOP-CQSZACIVSA-N -1 3 458.285 4.687 20 0 JJADHM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccccc2COc2ccccc2Cl)cc1F ZINC001463086280 1068282375 /nfs/dbraw/zinc/28/23/75/1068282375.db2.gz BZDHBGYYGBPYKA-UHFFFAOYSA-N -1 3 453.894 4.684 20 0 JJADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)c(C)c2)c2ccccc2Cl)s1 ZINC001463203184 1068318554 /nfs/dbraw/zinc/31/85/54/1068318554.db2.gz GMDJNWZXSADHCF-LJQANCHMSA-N -1 3 453.944 4.704 20 0 JJADHM O=S(=O)([N-][C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ccc(Cl)s1 ZINC001463208547 1068320742 /nfs/dbraw/zinc/32/07/42/1068320742.db2.gz YSUIPSORENOEEC-LJQANCHMSA-N -1 3 456.372 4.894 20 0 JJADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)s1 ZINC001463281548 1068343335 /nfs/dbraw/zinc/34/33/35/1068343335.db2.gz FGTVPMIGDRLMOP-JTQLQIEISA-N -1 3 456.998 4.660 20 0 JJADHM CCCC[C@@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC001463305040 1068350538 /nfs/dbraw/zinc/35/05/38/1068350538.db2.gz CYLPOZHIMXRLBE-ZDUSSCGKSA-N -1 3 458.930 4.721 20 0 JJADHM CCCOc1ccc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)cc1C(C)(C)C ZINC001463341028 1068362377 /nfs/dbraw/zinc/36/23/77/1068362377.db2.gz CCFKYKXKAINFAO-UHFFFAOYSA-N -1 3 456.402 4.720 20 0 JJADHM CN1CC[C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001463434892 1068396344 /nfs/dbraw/zinc/39/63/44/1068396344.db2.gz QOTRURXYNZDZEG-XIKOKIGWSA-N -1 3 451.778 4.757 20 0 JJADHM O=S(=O)([N-][C@@H]1CCOc2c(Cl)c(Cl)ccc21)c1cc(F)ccc1Br ZINC001463655666 1068483847 /nfs/dbraw/zinc/48/38/47/1068483847.db2.gz DQVGRVKAJHNEKN-GFCCVEGCSA-N -1 3 455.132 4.697 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(C)c(OC)c(C)c3)ccc2C)cc1 ZINC001463662798 1068486999 /nfs/dbraw/zinc/48/69/99/1068486999.db2.gz DBDSPKGICXSZQN-UHFFFAOYSA-N -1 3 454.548 4.682 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C(C)=C/c3ccncc3)ccc2C)cc1 ZINC001463696132 1068497282 /nfs/dbraw/zinc/49/72/82/1068497282.db2.gz WSMOUEOYUYNFJP-OBGWFSINSA-N -1 3 451.548 4.632 20 0 JJADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001463706541 1068500912 /nfs/dbraw/zinc/50/09/12/1068500912.db2.gz BURXDNZRUWSOIH-JKSUJKDBSA-N -1 3 456.377 4.849 20 0 JJADHM O=S(=O)([N-][C@@H]1CCc2c1ccc(F)c2Br)c1csnc1-c1ccccc1 ZINC001463734137 1068507461 /nfs/dbraw/zinc/50/74/61/1068507461.db2.gz LJFBBGYJSYNSKW-OAHLLOKOSA-N -1 3 453.358 4.678 20 0 JJADHM O=S(=O)([N-]Cc1ccc(COc2cccc(F)c2)cc1)c1ccc(Br)s1 ZINC001463961651 1068575796 /nfs/dbraw/zinc/57/57/96/1068575796.db2.gz RZGPTWXFUHFCPZ-UHFFFAOYSA-N -1 3 456.358 4.707 20 0 JJADHM CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC001464055378 1068601850 /nfs/dbraw/zinc/60/18/50/1068601850.db2.gz OLLRXEKOMXJKRP-HZPDHXFCSA-N -1 3 475.007 4.612 20 0 JJADHM CCN(Cc1ccc(C)cc1)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC001464061081 1068603015 /nfs/dbraw/zinc/60/30/15/1068603015.db2.gz ARIIBXYITSLTKJ-UHFFFAOYSA-N -1 3 452.576 4.775 20 0 JJADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c1Cl ZINC001464110966 1068618139 /nfs/dbraw/zinc/61/81/39/1068618139.db2.gz QONNSILFZYTABN-CXAGYDPISA-N -1 3 454.297 4.823 20 0 JJADHM O=S(=O)([N-][C@H](C(F)F)C1CCCCC1)c1cc(Br)cc(C(F)(F)F)c1 ZINC001464117588 1068620612 /nfs/dbraw/zinc/62/06/12/1068620612.db2.gz RAGZCGVDLWDZEF-ZDUSSCGKSA-N -1 3 450.267 4.960 20 0 JJADHM COc1ccc(NC(=O)c2cc([O-])cc(Br)c2)cc1NC(=O)c1cccc(F)c1 ZINC001464236710 1068669266 /nfs/dbraw/zinc/66/92/66/1068669266.db2.gz PQQROABONUHJCZ-UHFFFAOYSA-N -1 3 459.271 4.807 20 0 JJADHM CCC(CC)[C@@H](NC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21)c1cccs1 ZINC001464398716 1068732020 /nfs/dbraw/zinc/73/20/20/1068732020.db2.gz AOAFWTMVPPTIIT-HXUWFJFHSA-N -1 3 451.548 4.962 20 0 JJADHM COc1ccc2ccccc2c1CC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC001464479229 1068760660 /nfs/dbraw/zinc/76/06/60/1068760660.db2.gz YTAFBEUHRSYIFH-UHFFFAOYSA-N -1 3 454.773 4.785 20 0 JJADHM CC(=O)Nc1cc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)ccc1Cl ZINC001464482614 1068762388 /nfs/dbraw/zinc/76/23/88/1068762388.db2.gz FZWRXPAVXHDGSJ-NRFANRHFSA-N -1 3 451.910 4.504 20 0 JJADHM Cc1cccc(NC(=O)c2cc([O-])cc(Br)c2)c1C(=O)NCCc1ccccc1 ZINC001464576894 1068788863 /nfs/dbraw/zinc/78/88/63/1068788863.db2.gz HMOYMSVDMHAUIE-UHFFFAOYSA-N -1 3 453.336 4.688 20 0 JJADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2Cl)C(F)(F)F)c(C)c1 ZINC001464582173 1068790823 /nfs/dbraw/zinc/79/08/23/1068790823.db2.gz OLCUJPSWYRCFFI-OAHLLOKOSA-N -1 3 456.269 4.670 20 0 JJADHM COc1ccc(NC(=O)c2ccc(F)cc2)cc1S(=O)(=O)[N-]c1cc(C)ccc1Br ZINC000008686756 562952960 /nfs/dbraw/zinc/95/29/60/562952960.db2.gz WDFSMCAXGPFCAW-UHFFFAOYSA-N -1 3 493.354 4.958 20 0 JJADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001435444220 1064760148 /nfs/dbraw/zinc/76/01/48/1064760148.db2.gz UTFQFLDSSUUCHE-LSDHHAIUSA-N -1 3 454.995 4.820 20 0 JJADHM Cc1nc2cc(F)cc(C(=O)[N-]c3nnc(-c4cccc(Br)c4)s3)c2nc1C ZINC001360275934 1065117357 /nfs/dbraw/zinc/11/73/57/1065117357.db2.gz WEIWXZMQJOXUHS-UHFFFAOYSA-N -1 3 458.316 4.919 20 0 JJADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)c3cc(C(C)(C)C)oc3C)c2)cc1 ZINC001360284750 1065123616 /nfs/dbraw/zinc/12/36/16/1065123616.db2.gz KIYCGXBERAPAHY-UHFFFAOYSA-N -1 3 456.564 4.625 20 0 JJADHM COc1ccccc1-c1nnc([N-]C(=O)c2sc(COc3ccc(F)cc3)nc2C)s1 ZINC001436367948 1065303673 /nfs/dbraw/zinc/30/36/73/1065303673.db2.gz BSLPVBSTDKWUTB-UHFFFAOYSA-N -1 3 456.524 4.949 20 0 JJADHM Cc1nc([N-]C(=O)c2ccc(COc3cccc(Br)c3)o2)nn1-c1ccccc1 ZINC001436384063 1065306498 /nfs/dbraw/zinc/30/64/98/1065306498.db2.gz AHANFSFREZULGQ-UHFFFAOYSA-N -1 3 453.296 4.763 20 0 JJADHM CS[C@@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2Cl)C1 ZINC001360506264 1065443928 /nfs/dbraw/zinc/44/39/28/1065443928.db2.gz AXRMMUIBJUSGMB-UONOGXRCSA-N -1 3 456.992 4.684 20 0 JJADHM C[C@H](CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl)CC(F)(F)F ZINC001436837156 1065449414 /nfs/dbraw/zinc/44/94/14/1065449414.db2.gz ODURZNSWCQAZIN-NSHDSACASA-N -1 3 452.857 4.598 20 0 JJADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccoc2)C2CC2)c(Cl)cc1Cl ZINC001439651782 1065853527 /nfs/dbraw/zinc/85/35/27/1065853527.db2.gz IECUUNXLDUBGDP-CYBMUJFWSA-N -1 3 459.395 4.858 20 0 JJADHM COC(=O)c1cc2nc(NC(=O)c3ccc(OC4CCCC4)cc3)[n-]c2c(Br)c1 ZINC001440018408 1065903049 /nfs/dbraw/zinc/90/30/49/1065903049.db2.gz MGRJHFPYBXUUNO-UHFFFAOYSA-N -1 3 458.312 4.686 20 0 JJADHM COC(=O)c1cc2nc(NC(=O)c3ccc(Cl)c4cccnc34)[n-]c2c(Br)c1 ZINC001440021065 1065903621 /nfs/dbraw/zinc/90/36/21/1065903621.db2.gz RZGWNCXLCPSWNZ-UHFFFAOYSA-N -1 3 459.687 4.566 20 0 JJADHM COC(C)(C)c1nc(C)c(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)s1 ZINC001440521734 1065947137 /nfs/dbraw/zinc/94/71/37/1065947137.db2.gz UOZAJWCCVISHBF-UHFFFAOYSA-N -1 3 459.593 4.695 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(C(C)=O)c(C)c3)ccc2C)cc1 ZINC001440569433 1065950590 /nfs/dbraw/zinc/95/05/90/1065950590.db2.gz OZIDRYUBDILOFT-UHFFFAOYSA-N -1 3 452.532 4.568 20 0 JJADHM CC(C)n1nccc1C(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC001440566457 1065950679 /nfs/dbraw/zinc/95/06/79/1065950679.db2.gz QZPQOEHPPWTDOB-UHFFFAOYSA-N -1 3 453.351 4.824 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3nc(C(C)C)oc3C)ccc2C)cc1 ZINC001440595151 1065952987 /nfs/dbraw/zinc/95/29/87/1065952987.db2.gz CJEHHKNPZCYJMY-UHFFFAOYSA-N -1 3 457.552 4.867 20 0 JJADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H](c3ccc(F)cc3)C(C)(C)C)cs2)c1 ZINC001441497476 1066046944 /nfs/dbraw/zinc/04/69/44/1066046944.db2.gz PMJPHNPOPTZJPQ-OAQYLSRUSA-N -1 3 455.555 4.995 20 0 JJADHM CC(C)CNC(=O)c1ccc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)cc1Cl ZINC001441916968 1066080953 /nfs/dbraw/zinc/08/09/53/1066080953.db2.gz PHMJRJOIWDJFJD-UHFFFAOYSA-N -1 3 453.926 4.663 20 0 JJADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1CCOc2c(Cl)cccc21 ZINC001442247498 1066107864 /nfs/dbraw/zinc/10/78/64/1066107864.db2.gz PEAUWCPKIHMOEV-VXKWHMMOSA-N -1 3 450.922 4.547 20 0 JJADHM CCC[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(Cl)c(Cl)c1 ZINC001442391545 1066123076 /nfs/dbraw/zinc/12/30/76/1066123076.db2.gz BQLKRQSOUSBCMD-CYBMUJFWSA-N -1 3 455.816 4.644 20 0 JJADHM CSc1ccc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1Br ZINC001454123118 1066248612 /nfs/dbraw/zinc/24/86/12/1066248612.db2.gz HBGUFZJRROOXTL-UHFFFAOYSA-N -1 3 459.369 4.608 20 0 JJADHM Cc1ccc(C(=O)NCC[C@@H]2CCCS2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC001454263865 1066259979 /nfs/dbraw/zinc/25/99/79/1066259979.db2.gz MXMZNMBBPIZPSH-INIZCTEOSA-N -1 3 456.992 4.604 20 0 JJADHM O=C(NC1(c2ccc(F)cc2)CCCC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001443252833 1066284431 /nfs/dbraw/zinc/28/44/31/1066284431.db2.gz XZUXVTNPHMBSFJ-UHFFFAOYSA-N -1 3 456.514 4.965 20 0 JJADHM CN(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1cccc(OC(F)(F)F)c1 ZINC001443268966 1066288657 /nfs/dbraw/zinc/28/86/57/1066288657.db2.gz VZYYHRMFQKBLBY-OAQYLSRUSA-N -1 3 458.436 4.815 20 0 JJADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CCC[C@H](Cc2ccccc2)C1 ZINC001443337989 1066296404 /nfs/dbraw/zinc/29/64/04/1066296404.db2.gz BTMGFTSZGUUQCB-HXUWFJFHSA-N -1 3 452.551 4.721 20 0 JJADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC001443337981 1066296625 /nfs/dbraw/zinc/29/66/25/1066296625.db2.gz BTMGFTSZGUUQCB-FQEVSTJZSA-N -1 3 452.551 4.721 20 0 JJADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC001443342336 1066297058 /nfs/dbraw/zinc/29/70/58/1066297058.db2.gz KDVNGULOVVEZPT-FQEVSTJZSA-N -1 3 452.551 4.721 20 0 JJADHM Cc1ccc(C(=O)NCCC(=O)Nc2nc([C@H]3CCC[C@@H](C(F)(F)F)C3)cs2)c([O-])c1 ZINC001454706066 1066322877 /nfs/dbraw/zinc/32/28/77/1066322877.db2.gz FUCXUDSSFQAHOQ-UONOGXRCSA-N -1 3 455.502 4.752 20 0 JJADHM O=C([N-]CC[C@H]1CN(C(=O)C2(Cc3ccccc3Cl)CC2)c2ccccc21)C(F)(F)F ZINC001454932942 1066343112 /nfs/dbraw/zinc/34/31/12/1066343112.db2.gz RJCSRSBPUROOLP-INIZCTEOSA-N -1 3 450.888 4.862 20 0 JJADHM Cc1nc(-c2ccsc2)ccc1C(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001454924496 1066343144 /nfs/dbraw/zinc/34/31/44/1066343144.db2.gz RSXADAYATXKRLT-HNNXBMFYSA-N -1 3 459.493 4.931 20 0 JJADHM Cc1ccc(Oc2cccc(NC(=O)C[N-]S(=O)(=O)c3ccc(Cl)s3)c2)c(C)c1 ZINC001454964628 1066346780 /nfs/dbraw/zinc/34/67/80/1066346780.db2.gz YNGAEPSNQHXBSP-UHFFFAOYSA-N -1 3 450.969 4.728 20 0 JJADHM Cc1ccc(C(=O)NCC2(CC3CC3)CC2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC001455274648 1066378496 /nfs/dbraw/zinc/37/84/96/1066378496.db2.gz QXXWJAMWFFRXPC-UHFFFAOYSA-N -1 3 450.963 4.898 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCc4ccsc4[C@@H]3C)ccc2C)cc1 ZINC001455293092 1066381787 /nfs/dbraw/zinc/38/17/87/1066381787.db2.gz LRSGWFURRKBLHZ-INIZCTEOSA-N -1 3 456.589 4.625 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC001443987662 1066390893 /nfs/dbraw/zinc/39/08/93/1066390893.db2.gz ZVARQSXFDHXQPI-XMMPIXPASA-N -1 3 452.551 4.686 20 0 JJADHM CC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1cccc2ccccc21 ZINC001455885796 1066446106 /nfs/dbraw/zinc/44/61/06/1066446106.db2.gz FZKICPHMAFUROV-NRFANRHFSA-N -1 3 451.523 4.989 20 0 JJADHM CC[C@@H](CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)Oc1ccccc1C ZINC001444935433 1066519543 /nfs/dbraw/zinc/51/95/43/1066519543.db2.gz VNRNTSQYINUITL-IBGZPJMESA-N -1 3 456.539 4.522 20 0 JJADHM Cc1ccccc1Oc1ccccc1CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC001456156493 1066525231 /nfs/dbraw/zinc/52/52/31/1066525231.db2.gz JNBBHEZOSQLOEQ-UHFFFAOYSA-N -1 3 456.539 4.543 20 0 JJADHM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001445177382 1066543703 /nfs/dbraw/zinc/54/37/03/1066543703.db2.gz JOKGQUKMSSHRQK-CMJOXMDJSA-N -1 3 456.514 4.819 20 0 JJADHM O=C(NCC1(Cc2ccccc2)CCC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001445727893 1066611825 /nfs/dbraw/zinc/61/18/25/1066611825.db2.gz OZLGGGWMKQCWBU-UHFFFAOYSA-N -1 3 452.551 4.769 20 0 JJADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2cccc(F)c2)c2cccc(Br)c2)c1 ZINC001445752075 1066614600 /nfs/dbraw/zinc/61/46/00/1066614600.db2.gz ZTBROMYZOLMALE-NRFANRHFSA-N -1 3 457.299 4.772 20 0 JJADHM CC(C)c1ccc(Sc2ccc([C@H](C)N(C)C(=O)c3[nH]c(=O)[n-]c(=O)c3N)cc2F)cc1 ZINC001456532171 1066614971 /nfs/dbraw/zinc/61/49/71/1066614971.db2.gz AAIVFCXFKXQKSQ-ZDUSSCGKSA-N -1 3 456.543 4.717 20 0 JJADHM CC[C@H]1CCCc2sc(NC(=O)Cc3csc(NC(=O)c4cc(C)ccc4[O-])n3)nc21 ZINC001456725188 1066674471 /nfs/dbraw/zinc/67/44/71/1066674471.db2.gz RLGQTPRDGKHUOR-ZDUSSCGKSA-N -1 3 456.593 4.877 20 0 JJADHM CC(C)(C)OC(=O)N[C@@](C)(C(=O)Nc1cccc([O-])c1F)c1ccc(Br)cc1 ZINC001446238294 1066677340 /nfs/dbraw/zinc/67/73/40/1066677340.db2.gz BHVCOFISGONRSJ-HXUWFJFHSA-N -1 3 453.308 4.672 20 0 JJADHM O=C(Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1)c1cc([O-])cc(Br)c1 ZINC001446329193 1066691108 /nfs/dbraw/zinc/69/11/08/1066691108.db2.gz ALSBNCPZFUIZLW-UHFFFAOYSA-N -1 3 450.161 4.937 20 0 JJADHM CC(C)(Cc1ccc(Br)cc1)C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001456802281 1066694389 /nfs/dbraw/zinc/69/43/89/1066694389.db2.gz XPYSKIOLUOABJH-UHFFFAOYSA-N -1 3 456.340 4.737 20 0 JJADHM CC(C)(Cc1ccc(Br)cc1)C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001456802281 1066694394 /nfs/dbraw/zinc/69/43/94/1066694394.db2.gz XPYSKIOLUOABJH-UHFFFAOYSA-N -1 3 456.340 4.737 20 0 JJADHM Cc1sc(Br)c(C(=O)Nc2ccc(I)cc2[O-])c1C ZINC001447622390 1066830430 /nfs/dbraw/zinc/83/04/30/1066830430.db2.gz DXYSJWAHSHSWPJ-UHFFFAOYSA-N -1 3 452.111 4.690 20 0 JJADHM Cc1ccc(SC[C@@H](C)NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)cc1 ZINC001447876334 1066873251 /nfs/dbraw/zinc/87/32/51/1066873251.db2.gz ZQHYOGAMTNUSNZ-MRXNPFEDSA-N -1 3 455.605 4.557 20 0 JJADHM CSCc1cccc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)c1 ZINC001447946819 1066880021 /nfs/dbraw/zinc/88/00/21/1066880021.db2.gz OPBWVYDOTQBJNY-UHFFFAOYSA-N -1 3 458.580 4.728 20 0 JJADHM Cc1nc([C@H]2CCCN2C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)cs1 ZINC001447975864 1066886407 /nfs/dbraw/zinc/88/64/07/1066886407.db2.gz WCKFETWNMGTEJE-OAHLLOKOSA-N -1 3 452.761 4.686 20 0 JJADHM O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccc(Br)c([O-])c1 ZINC001457709064 1066901234 /nfs/dbraw/zinc/90/12/34/1066901234.db2.gz MKDFWIIADGFZQA-UHFFFAOYSA-N -1 3 450.161 4.937 20 0 JJADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@@H](OC)C[C@H]3C)c2)cc1 ZINC001448231597 1066912047 /nfs/dbraw/zinc/91/20/47/1066912047.db2.gz UKYZTMRWGACDFA-DENIHFKCSA-N -1 3 458.624 4.778 20 0 JJADHM Cc1c(C(=O)Nc2c[nH]nc2Cl)sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC001457780035 1066918344 /nfs/dbraw/zinc/91/83/44/1066918344.db2.gz WRGNGTSHYLDWLW-UHFFFAOYSA-N -1 3 459.984 4.831 20 0 JJADHM CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CCCC1 ZINC001448617504 1066942728 /nfs/dbraw/zinc/94/27/28/1066942728.db2.gz SSSMRXUFSZVUOP-QHCPKHFHSA-N -1 3 452.595 4.991 20 0 JJADHM CCc1ccc([O-])c(C(=O)N2CCC(c3nc(-c4ccccc4Br)no3)CC2)c1 ZINC001449038914 1066978772 /nfs/dbraw/zinc/97/87/72/1066978772.db2.gz CMDHGTZWQFDPQX-UHFFFAOYSA-N -1 3 456.340 4.787 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)CCCC(F)(F)F)c2)cc1 ZINC001449052177 1066979796 /nfs/dbraw/zinc/97/97/96/1066979796.db2.gz QRPWKQDRMRJYNA-HNNXBMFYSA-N -1 3 458.502 4.655 20 0 JJADHM O=C(NC[C@@H]1CCCC[C@@H]1c1ccccc1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC001449652435 1067019504 /nfs/dbraw/zinc/01/95/04/1067019504.db2.gz ONPSNTMKSDKTRM-AZUAARDMSA-N -1 3 455.555 4.658 20 0 JJADHM CCc1noc(C)c1CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC001450061663 1067045775 /nfs/dbraw/zinc/04/57/75/1067045775.db2.gz KXCHUOWQOPRGDS-UHFFFAOYSA-N -1 3 455.580 4.510 20 0 JJADHM O=C([N-]C[C@H]1CCCN(c2ncnc3cc(-c4ccc(Cl)cc4)sc32)C1)C(F)(F)F ZINC001458407393 1067053967 /nfs/dbraw/zinc/05/39/67/1067053967.db2.gz UPURQRHFYAGDGC-GFCCVEGCSA-N -1 3 454.905 4.907 20 0 JJADHM Cc1ccc2c(c1)CN(C(=O)c1cccc(S(=O)(=O)[N-]c3ccccc3F)c1)C(C)(C)C2 ZINC001450158975 1067055992 /nfs/dbraw/zinc/05/59/92/1067055992.db2.gz CNMSNDZRQCPYCS-UHFFFAOYSA-N -1 3 452.551 4.912 20 0 JJADHM CC[C@H](C)Oc1cccc(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)cc(C)c2[O-])c1 ZINC001450256200 1067064837 /nfs/dbraw/zinc/06/48/37/1067064837.db2.gz LWGYIHRLPHCIAC-KRWDZBQOSA-N -1 3 458.514 4.926 20 0 JJADHM Cn1c2cc([O-])c(NC(=O)c3cc(Cl)ccc3Oc3cccc(Cl)c3)cc2n(C)c1=O ZINC001450674130 1067101262 /nfs/dbraw/zinc/10/12/62/1067101262.db2.gz RADGXFSUDFHMTL-UHFFFAOYSA-N -1 3 458.301 4.934 20 0 JJADHM Cc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)nn1C1CCCCC1 ZINC001450722291 1067110939 /nfs/dbraw/zinc/11/09/39/1067110939.db2.gz QQRPKHFTZOLWFG-UHFFFAOYSA-N -1 3 456.543 4.889 20 0 JJADHM O=C(NC1CCCC1)OC[C@@H]1CCCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001450836344 1067128860 /nfs/dbraw/zinc/12/88/60/1067128860.db2.gz DUHZMWKXGDRZMJ-QHCPKHFHSA-N -1 3 450.579 4.841 20 0 JJADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CCC(c2cccc(F)c2)CC1 ZINC001450853389 1067132449 /nfs/dbraw/zinc/13/24/49/1067132449.db2.gz UYWYYLLRJFPAIZ-UHFFFAOYSA-N -1 3 456.514 4.785 20 0 JJADHM O=C(CSc1nnc(-c2ccccc2F)n1-c1ccc(F)cc1)Nc1cccc([O-])c1F ZINC001545835569 1067187708 /nfs/dbraw/zinc/18/77/08/1067187708.db2.gz DUEXTVOXYKGCAC-UHFFFAOYSA-N -1 3 456.449 4.788 20 0 JJADHM O=C(c1ccccc1SCc1ccc(Br)cc1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001452724593 1067246658 /nfs/dbraw/zinc/24/66/58/1067246658.db2.gz FTCZGWRDFNAHIM-OAHLLOKOSA-N -1 3 458.381 4.800 20 0 JJADHM CC[C@@H](OCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1ccccc1 ZINC001452887064 1067259701 /nfs/dbraw/zinc/25/97/01/1067259701.db2.gz RKYORYXNVIXFJO-HSZRJFAPSA-N -1 3 456.539 4.524 20 0 JJADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N3CC[C@H]4CC[C@@H](C3)S4)ccc2C)c(C)c1 ZINC001453574751 1067315308 /nfs/dbraw/zinc/31/53/08/1067315308.db2.gz FLRGWDUPCRSKIG-RTWAWAEBSA-N -1 3 458.649 4.831 20 0 JJADHM CC(C)[C@H](CCc1ccccc1)C(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC001453677300 1067321338 /nfs/dbraw/zinc/32/13/38/1067321338.db2.gz BFCHYNDGUAHXAR-YTFSRNRJSA-N -1 3 460.540 4.955 20 0 JJADHM Cc1ccc(-c2noc([C@H](C)N3CCC(C(=O)Nc4cc(Cl)ccc4[O-])CC3)n2)cc1F ZINC001459885836 1067473164 /nfs/dbraw/zinc/47/31/64/1067473164.db2.gz ZUOQOSXVEYASAC-AWEZNQCLSA-N -1 3 458.921 4.955 20 0 JJADHM O=C([N-][C@H]1CN(C[C@H]2[C@H](c3ccccc3)C2(F)F)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001460393608 1067625757 /nfs/dbraw/zinc/62/57/57/1067625757.db2.gz REGGFULKLXRYNJ-MUGJNUQGSA-N -1 3 456.430 4.711 20 0 JJADHM Cc1c(Cl)cccc1NC(=O)[C@H](C)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001460652276 1067687963 /nfs/dbraw/zinc/68/79/63/1067687963.db2.gz OWTYTURAHKNSQH-LSDHHAIUSA-N -1 3 453.892 4.648 20 0 JJADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)c(Cl)cc1Cl ZINC001460810241 1067728333 /nfs/dbraw/zinc/72/83/33/1067728333.db2.gz MMQRPQGYCKVZLX-SPKLELGKSA-N -1 3 473.397 4.885 20 0 JJADHM COC(=O)c1c(Cl)cc(F)cc1[N-]C(=O)c1cc(-c2cccc(Br)c2)no1 ZINC001461489307 1067874127 /nfs/dbraw/zinc/87/41/27/1067874127.db2.gz RTYSUYHMVQLRBR-UHFFFAOYSA-N -1 3 453.651 4.936 20 0 JJADHM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl)N(CCC1CC1)CC1CC1 ZINC001461755214 1067931022 /nfs/dbraw/zinc/93/10/22/1067931022.db2.gz LFMPJHNHSHCKER-UHFFFAOYSA-N -1 3 450.963 4.932 20 0 JJADHM O=C(CCc1ccc(-c2ccccc2)o1)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001461824429 1067942605 /nfs/dbraw/zinc/94/26/05/1067942605.db2.gz AWXFIOJVCVMUJV-UHFFFAOYSA-N -1 3 455.923 4.727 20 0 JJADHM O=C(CCc1ccc(-c2ccccc2)o1)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001461824429 1067942613 /nfs/dbraw/zinc/94/26/13/1067942613.db2.gz AWXFIOJVCVMUJV-UHFFFAOYSA-N -1 3 455.923 4.727 20 0 JJADHM C[C@H](Sc1ccccc1Cl)C(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001461830270 1067943186 /nfs/dbraw/zinc/94/31/86/1067943186.db2.gz YGAKWYLDWXEMEI-NSHDSACASA-N -1 3 456.376 4.669 20 0 JJADHM C[C@H](Sc1ccccc1Cl)C(=O)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001461830270 1067943189 /nfs/dbraw/zinc/94/31/89/1067943189.db2.gz YGAKWYLDWXEMEI-NSHDSACASA-N -1 3 456.376 4.669 20 0 JJADHM O=C([N-]c1nnc(-c2c(Cl)cccc2Cl)s1)c1nn2c(c1Br)CCC2 ZINC001462033510 1067984973 /nfs/dbraw/zinc/98/49/73/1067984973.db2.gz RRMLENJDLXJOIQ-UHFFFAOYSA-N -1 3 459.156 4.669 20 0 JJADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)C(C)(F)F)c(Cl)cc1Cl ZINC001462218760 1068030973 /nfs/dbraw/zinc/03/09/73/1068030973.db2.gz PLBRDEWEXVPQCU-NSHDSACASA-N -1 3 459.386 4.872 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OS(=O)(=O)c3csc4ccccc43)cc2)cc1 ZINC001462731595 1068146409 /nfs/dbraw/zinc/14/64/09/1068146409.db2.gz OTPCSKQCBNMKIL-UHFFFAOYSA-N -1 3 459.570 4.778 20 0 JJADHM Cc1nn(Cc2ccccc2)c(C)c1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC001462748390 1068153798 /nfs/dbraw/zinc/15/37/98/1068153798.db2.gz QMMWKCPXXKDUOF-UHFFFAOYSA-N -1 3 458.798 4.987 20 0 JJADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2cccc(COCc3ccco3)c2)s1 ZINC001462826561 1068179105 /nfs/dbraw/zinc/17/91/05/1068179105.db2.gz WKVIVMQGDQAYML-UHFFFAOYSA-N -1 3 456.383 4.607 20 0 JJADHM COc1ccc(C2(C[N-]S(=O)(=O)c3cc(F)ccc3Br)CCCCC2)cc1 ZINC001462895444 1068206513 /nfs/dbraw/zinc/20/65/13/1068206513.db2.gz BCNUMKZZSBOHAU-UHFFFAOYSA-N -1 3 456.377 4.777 20 0 JJADHM O=C(OCc1ccccc1)c1cccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC001463008053 1068248794 /nfs/dbraw/zinc/24/87/94/1068248794.db2.gz MHPSLTZXEBMBGO-UHFFFAOYSA-N -1 3 456.372 4.890 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)c(F)c1F ZINC001463038076 1068259587 /nfs/dbraw/zinc/25/95/87/1068259587.db2.gz ZAEKTIFQGLNJDX-UHFFFAOYSA-N -1 3 453.514 4.664 20 0 JJADHM CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC001463075712 1068278501 /nfs/dbraw/zinc/27/85/01/1068278501.db2.gz PJNNLOQGCJVJDY-ZDUSSCGKSA-N -1 3 458.930 4.577 20 0 JJADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](c1ccccc1Cl)C(C)C ZINC001463095526 1068284896 /nfs/dbraw/zinc/28/48/96/1068284896.db2.gz WDVCFURXZNMVFB-KRWDZBQOSA-N -1 3 450.757 4.926 20 0 JJADHM CC(C)CC[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1)C(C)(C)C ZINC001463100883 1068287466 /nfs/dbraw/zinc/28/74/66/1068287466.db2.gz YCFQVPDWPRAKAP-FYSMJZIKSA-N -1 3 453.468 4.591 20 0 JJADHM Cc1cc(S(=O)(=O)[N-]Cc2ccnc(O[C@H](C)CC(C)C)c2)c(F)cc1Br ZINC001463110669 1068290669 /nfs/dbraw/zinc/29/06/69/1068290669.db2.gz JZTWIWQTMPJWEH-CQSZACIVSA-N -1 3 459.381 4.584 20 0 JJADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ccccc1Cl ZINC001463166237 1068308600 /nfs/dbraw/zinc/30/86/00/1068308600.db2.gz IFTUPFFESJWZEA-GOSISDBHSA-N -1 3 456.873 4.830 20 0 JJADHM CC[C@H](Cc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC001463197549 1068317205 /nfs/dbraw/zinc/31/72/05/1068317205.db2.gz VZMXJIFRUHYSBQ-CYBMUJFWSA-N -1 3 454.283 4.907 20 0 JJADHM COC[C@H]([N-]S(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccc(C)o1 ZINC001463228494 1068328251 /nfs/dbraw/zinc/32/82/51/1068328251.db2.gz PCANAURZTJRHQF-IBGZPJMESA-N -1 3 450.354 4.684 20 0 JJADHM CC[C@H](Cc1ccccc1Br)[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001463328395 1068358124 /nfs/dbraw/zinc/35/81/24/1068358124.db2.gz VIAWLQQBVRKBSK-MRXNPFEDSA-N -1 3 451.411 4.872 20 0 JJADHM CCN(CC)C(=O)Nc1ccc([C@H](C)[N-]S(=O)(=O)c2csnc2-c2ccccc2)cc1 ZINC001463328186 1068358361 /nfs/dbraw/zinc/35/83/61/1068358361.db2.gz YSMPZVOVWNDWDV-INIZCTEOSA-N -1 3 458.609 4.723 20 0 JJADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(C)cc2O[C@@H](C)CC(C)C)c1 ZINC001463335849 1068360347 /nfs/dbraw/zinc/36/03/47/1068360347.db2.gz ZPAORTRNJQXQFE-KRWDZBQOSA-N -1 3 451.560 4.603 20 0 JJADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC001463343659 1068363570 /nfs/dbraw/zinc/36/35/70/1068363570.db2.gz SFJONZMUVQTFMK-AWEZNQCLSA-N -1 3 456.255 4.569 20 0 JJADHM CC(C)(C[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1)c1ccccc1Br ZINC001463362189 1068371337 /nfs/dbraw/zinc/37/13/37/1068371337.db2.gz XDFWYOTZKMLHTG-UHFFFAOYSA-N -1 3 451.411 4.829 20 0 JJADHM CN1CC[C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001463434888 1068396089 /nfs/dbraw/zinc/39/60/89/1068396089.db2.gz QOTRURXYNZDZEG-SGTLLEGYSA-N -1 3 451.778 4.757 20 0 JJADHM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-][C@H](c2cccc3ccccc32)C(F)(F)F)c1 ZINC001463495319 1068419169 /nfs/dbraw/zinc/41/91/69/1068419169.db2.gz CEADVXKEBUJQAI-HXUWFJFHSA-N -1 3 451.466 4.907 20 0 JJADHM O=S(=O)([N-]CC1(c2cccc(F)c2F)CCCC1)c1cccc(OC(F)(F)F)c1F ZINC001463506005 1068422672 /nfs/dbraw/zinc/42/26/72/1068422672.db2.gz MOJFLVWWGYJFQQ-UHFFFAOYSA-N -1 3 453.404 4.793 20 0 JJADHM CN1CCCc2ccc(S(=O)(=O)[N-][C@H](c3ccccc3C(F)(F)F)C(F)(F)F)cc21 ZINC001463507577 1068423163 /nfs/dbraw/zinc/42/31/63/1068423163.db2.gz WPFDHGZWJBTNGV-QGZVFWFLSA-N -1 3 452.420 4.670 20 0 JJADHM O=S(=O)([N-]CC1(c2ccc(C(F)(F)F)cc2)CC1)c1cc(F)ccc1Br ZINC001463530174 1068429444 /nfs/dbraw/zinc/42/94/44/1068429444.db2.gz WPFUAMASSIMAAC-UHFFFAOYSA-N -1 3 452.267 4.617 20 0 JJADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NCCc3ccc(F)cc3)ccc2C)c(C)c1 ZINC001463568894 1068448921 /nfs/dbraw/zinc/44/89/21/1068448921.db2.gz VZFKPSQQGAAADC-UHFFFAOYSA-N -1 3 454.567 4.833 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)[C@@H]3CCCC4(CC4)C3)c2)cc1 ZINC001463583472 1068456281 /nfs/dbraw/zinc/45/62/81/1068456281.db2.gz RUENGUKTXXPCLH-QGZVFWFLSA-N -1 3 458.580 4.804 20 0 JJADHM C[C@H]([N-]S(=O)(=O)c1oc2ccccc2c1Br)c1ccc(Br)cc1 ZINC001463612929 1068467167 /nfs/dbraw/zinc/46/71/67/1068467167.db2.gz FLRIAHLARGHQTA-JTQLQIEISA-N -1 3 459.159 4.997 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H](C)CC(=O)c3ccccc3F)cc2)cc1 ZINC001463636558 1068477075 /nfs/dbraw/zinc/47/70/75/1068477075.db2.gz VRGMUJDVSPIZPV-KRWDZBQOSA-N -1 3 454.523 4.783 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3nc(C(C)(C)C)cs3)ccc2C)cc1 ZINC001463664257 1068487663 /nfs/dbraw/zinc/48/76/63/1068487663.db2.gz HDLSZJCNOWREKC-UHFFFAOYSA-N -1 3 459.593 4.811 20 0 JJADHM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(CN4CCCC4)o3)ccc2C)c1 ZINC001463674201 1068490427 /nfs/dbraw/zinc/49/04/27/1068490427.db2.gz IIJICAFBSGSMMP-UHFFFAOYSA-N -1 3 453.564 4.545 20 0 JJADHM CC[C@@H]([N-]S(=O)(=O)c1oc2ccccc2c1Br)c1ccc(OC)c(OC)c1 ZINC001463688806 1068494916 /nfs/dbraw/zinc/49/49/16/1068494916.db2.gz VJQBRYDNTJHICB-CQSZACIVSA-N -1 3 454.342 4.642 20 0 JJADHM CC(C)Cc1ccc([C@@H](C[N-]S(=O)(=O)c2c3ncsc3ccc2Cl)N(C)C)cc1 ZINC001463824028 1068536304 /nfs/dbraw/zinc/53/63/04/1068536304.db2.gz ODSJOLPVBURODB-GOSISDBHSA-N -1 3 452.045 4.729 20 0 JJADHM COc1ccc([C@@H]([N-]S(=O)(=O)c2cccnc2Oc2ccc(F)cc2)c2ccco2)cc1 ZINC001463893594 1068557902 /nfs/dbraw/zinc/55/79/02/1068557902.db2.gz LKJLURWUVYEAOF-JOCHJYFZSA-N -1 3 454.479 4.683 20 0 JJADHM O=S(=O)([N-][C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1)c1ccc(Br)cc1F ZINC001463953588 1068573950 /nfs/dbraw/zinc/57/39/50/1068573950.db2.gz FHPQKDCBXINOTK-GFCCVEGCSA-N -1 3 457.752 4.559 20 0 JJADHM O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)c1cc([O-])c2ccccc2c1 ZINC001463953136 1068573973 /nfs/dbraw/zinc/57/39/73/1068573973.db2.gz QWGDGZOGEAAUJH-RGVLZGJSSA-N -1 3 452.919 4.665 20 0 JJADHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](Cc2ccccc2)c2ncco2)c(Br)c1 ZINC001463963393 1068576545 /nfs/dbraw/zinc/57/65/45/1068576545.db2.gz HIFJRKADVDCXHC-MRXNPFEDSA-N -1 3 455.761 4.661 20 0 JJADHM COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(Br)cc1[O-] ZINC001464134431 1068629255 /nfs/dbraw/zinc/62/92/55/1068629255.db2.gz FROOEJFGPBLQIM-CYBMUJFWSA-N -1 3 457.162 4.751 20 0 JJADHM CC[C@H](Cc1ccc(Br)cc1)[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001464143897 1068633242 /nfs/dbraw/zinc/63/32/42/1068633242.db2.gz HQQDRIMYFPERHS-QGZVFWFLSA-N -1 3 451.411 4.872 20 0 JJADHM CCOC(=O)c1ccn(-c2cccc(NC(=O)c3cc(CCc4ccccc4)ccc3[O-])c2)n1 ZINC001464176501 1068643656 /nfs/dbraw/zinc/64/36/56/1068643656.db2.gz TWGFVAJRTRARTL-UHFFFAOYSA-N -1 3 455.514 4.792 20 0 JJADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2c3ccccc3N(C(=O)OC(C)(C)C)C2(C)C)cc1F ZINC001464347528 1068714646 /nfs/dbraw/zinc/71/46/46/1068714646.db2.gz HRMIOHKERLIOHR-IBGZPJMESA-N -1 3 452.523 4.827 20 0 JJADHM CCCN1CCN(c2ccc(NC(=O)c3ccc(Br)cc3[O-])cc2Cl)CC1 ZINC001464461288 1068755054 /nfs/dbraw/zinc/75/50/54/1068755054.db2.gz FMWAXHTZFFDPQT-UHFFFAOYSA-N -1 3 452.780 4.592 20 0 JJADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@@H](C)OC(C)(C)C3)c2)cc1 ZINC001464528048 1068773501 /nfs/dbraw/zinc/77/35/01/1068773501.db2.gz RDWAMSPGDDDBJV-LJQANCHMSA-N -1 3 458.624 4.778 20 0 JJADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cccc(OCC(F)(F)F)c1 ZINC001464605646 1068797715 /nfs/dbraw/zinc/79/77/15/1068797715.db2.gz AEFPTXBOTHUKFA-NRFANRHFSA-N -1 3 458.436 4.833 20 0 JJADHM C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccc(Oc2ccccc2)cc1 ZINC001464653867 1068812787 /nfs/dbraw/zinc/81/27/87/1068812787.db2.gz AYKWNDIVBPLCPC-INIZCTEOSA-N -1 3 454.523 4.550 20 0 JJADHM COc1ccc([C@H]([N-]S(=O)(=O)c2cc(Br)sc2Cl)C2CCC2)cc1 ZINC001464724084 1068838990 /nfs/dbraw/zinc/83/89/90/1068838990.db2.gz QYJPGYCLRIBTNW-OAHLLOKOSA-N -1 3 450.807 4.992 20 0 JJADHM O=C(c1ccco1)N1CCC2(CC1)CN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)Cc1ccccc12 ZINC001164844922 720745196 /nfs/dbraw/zinc/74/51/96/720745196.db2.gz VIXOCELMXZUHED-UHFFFAOYSA-N -1 3 490.963 4.751 20 0 JJADHM CCCc1c(C(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)nnn1-c1cccc(Cl)c1 ZINC001435076272 1064498854 /nfs/dbraw/zinc/49/88/54/1064498854.db2.gz ORSSKUDPXICHKS-UHFFFAOYSA-N -1 3 456.934 4.707 20 0 JJADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)Cc2cccc(Cl)c2)ccc1F ZINC001435559850 1064832026 /nfs/dbraw/zinc/83/20/26/1064832026.db2.gz VXYNMUUCVRUTKR-UHFFFAOYSA-N -1 3 454.995 4.555 20 0 JJADHM CCCCc1nc(NC(=O)[C@@H](CC)Cc2cccc(Br)c2)c(C(=O)OCC)[n-]1 ZINC001435886698 1065044470 /nfs/dbraw/zinc/04/44/70/1065044470.db2.gz GSUPGVOKOHPLSV-HNNXBMFYSA-N -1 3 450.377 4.899 20 0 JJADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)O[C@@H]2CCc3cccnc32)c(Cl)cc1Cl ZINC001435930126 1065068602 /nfs/dbraw/zinc/06/86/02/1065068602.db2.gz CXWNAIUTGIBBJV-YVEFUNNKSA-N -1 3 457.379 4.700 20 0 JJADHM COc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2Cl)c1F ZINC001435999151 1065100743 /nfs/dbraw/zinc/10/07/43/1065100743.db2.gz XLIQKLJHNKUFEB-UHFFFAOYSA-N -1 3 452.866 4.680 20 0 JJADHM Cn1nc(-c2cccs2)nc1[N-]C(=O)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC001436111274 1065186208 /nfs/dbraw/zinc/18/62/08/1065186208.db2.gz PFDPUWUOZHIFOF-UHFFFAOYSA-N -1 3 450.307 4.670 20 0 JJADHM Cc1cccc(-c2ccc(CNC(=O)c3ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c3)cc2)c1 ZINC001360566294 1065557256 /nfs/dbraw/zinc/55/72/56/1065557256.db2.gz JJDLKRFKSOZNRC-UHFFFAOYSA-N -1 3 454.567 4.808 20 0 JJADHM O=C(COc1cc(-c2ccccc2)sc1C(=O)[N-]c1ccnc(F)c1F)N1CCCCC1 ZINC001437851361 1065620094 /nfs/dbraw/zinc/62/00/94/1065620094.db2.gz GUMCHJPKXGQDCE-UHFFFAOYSA-N -1 3 457.502 4.732 20 0 JJADHM O=C([N-]c1nc(C2CCOCC2)ns1)c1csc(Cc2cccc(C(F)(F)F)c2)n1 ZINC001438479715 1065724187 /nfs/dbraw/zinc/72/41/87/1065724187.db2.gz GCRKYOMAJVYGAP-UHFFFAOYSA-N -1 3 454.499 4.751 20 0 JJADHM Cc1ccc(CN(CCCC(C)C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)o1 ZINC001439280576 1065811190 /nfs/dbraw/zinc/81/11/90/1065811190.db2.gz SHUPDNRQQODBEB-UHFFFAOYSA-N -1 3 452.592 4.883 20 0 JJADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cccnc1SCc1cccc(Br)c1 ZINC001439506585 1065836850 /nfs/dbraw/zinc/83/68/50/1065836850.db2.gz CDSLEABNOLKWBC-UHFFFAOYSA-N -1 3 456.325 4.767 20 0 JJADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@@H](c3ccccc3)Oc3ccccc32)ccc1F ZINC001439825995 1065883721 /nfs/dbraw/zinc/88/37/21/1065883721.db2.gz OOAFIHPLRUPCDB-GGAORHGYSA-N -1 3 468.550 4.507 20 0 JJADHM COC(=O)c1cc2nc(NC(=O)CCCc3ccc(C4CC4)cc3)[n-]c2c(Br)c1 ZINC001440027798 1065904084 /nfs/dbraw/zinc/90/40/84/1065904084.db2.gz KBVXUARXSBGPAO-UHFFFAOYSA-N -1 3 456.340 4.951 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(F)(F)c3cc(F)cc(F)c3)cc2)cc1 ZINC001440520683 1065946803 /nfs/dbraw/zinc/94/68/03/1065946803.db2.gz QCJLZMLOZWFPMW-UHFFFAOYSA-N -1 3 452.429 4.805 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H](c3cccc(Cl)c3)N(C)C)cc2)cc1 ZINC001440520689 1065946874 /nfs/dbraw/zinc/94/68/74/1065946874.db2.gz QEQAWIJOMAPUAX-QFIPXVFZSA-N -1 3 457.983 4.691 20 0 JJADHM C[C@@H]1C(=O)CC[C@@H]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC001440563838 1065950335 /nfs/dbraw/zinc/95/03/35/1065950335.db2.gz JFXBKCUGIHPDNK-QWHCGFSZSA-N -1 3 455.363 4.738 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3coc(C4CCC4)n3)ccc2C)cc1 ZINC001440596204 1065953142 /nfs/dbraw/zinc/95/31/42/1065953142.db2.gz GIMZKGSLOREUON-UHFFFAOYSA-N -1 3 455.536 4.702 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3(C(F)(F)F)CCC3)ccc2C)cc1 ZINC001440596238 1065953196 /nfs/dbraw/zinc/95/31/96/1065953196.db2.gz HEHFINZUCFGMFW-UHFFFAOYSA-N -1 3 456.486 4.866 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@H]4C3)c2)cc1 ZINC001440709764 1065969221 /nfs/dbraw/zinc/96/92/21/1065969221.db2.gz YYMGTKGTFGCIBI-IRFCIJBXSA-N -1 3 456.608 4.893 20 0 JJADHM O=C(NCc1ccco1)Nc1ccc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)cc1 ZINC001440897376 1065991533 /nfs/dbraw/zinc/99/15/33/1065991533.db2.gz HKGFBPBIBMFPQB-UHFFFAOYSA-N -1 3 458.474 4.539 20 0 JJADHM C[C@@H](C(=O)Nc1cccc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1)n1cccn1 ZINC001441251862 1066021359 /nfs/dbraw/zinc/02/13/59/1066021359.db2.gz YDLBLEYLJIMCTG-IBGZPJMESA-N -1 3 454.530 4.826 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@@H]3C3CCCCC3)ccc2C)cc1 ZINC001441792941 1066069794 /nfs/dbraw/zinc/06/97/94/1066069794.db2.gz TUUIKJBDKJJNCF-HSZRJFAPSA-N -1 3 456.608 4.989 20 0 JJADHM O=C(NCc1ccco1)c1cccc(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1 ZINC001442105527 1066093709 /nfs/dbraw/zinc/09/37/09/1066093709.db2.gz MDESTOCZQMVBGE-UHFFFAOYSA-N -1 3 454.526 4.630 20 0 JJADHM CC1(C)C[C@]1(CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1ccccc1 ZINC001453941339 1066224083 /nfs/dbraw/zinc/22/40/83/1066224083.db2.gz GHGGPMJECGDGPU-VWLOTQADSA-N -1 3 452.551 4.724 20 0 JJADHM Cc1[nH]nc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1-c1ccccc1F ZINC001454290639 1066265769 /nfs/dbraw/zinc/26/57/69/1066265769.db2.gz VUCVXXLLMQCHBP-JOCHJYFZSA-N -1 3 458.493 4.730 20 0 JJADHM COC(=O)CCSc1cc(Cl)ccc1[N-]C(=O)c1cc2sc(N(C)C)nc2s1 ZINC001454630200 1066312350 /nfs/dbraw/zinc/31/23/50/1066312350.db2.gz ABRZOASKHINMFJ-UHFFFAOYSA-N -1 3 456.014 4.985 20 0 JJADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC001443447802 1066312666 /nfs/dbraw/zinc/31/26/66/1066312666.db2.gz GVDCPIWTFNYOBL-UHFFFAOYSA-N -1 3 454.317 4.683 20 0 JJADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC001443447802 1066312682 /nfs/dbraw/zinc/31/26/82/1066312682.db2.gz GVDCPIWTFNYOBL-UHFFFAOYSA-N -1 3 454.317 4.683 20 0 JJADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CCOc1ccc2ccccc2c1 ZINC001443641799 1066343375 /nfs/dbraw/zinc/34/33/75/1066343375.db2.gz PYKLFKFKIWIZNS-UHFFFAOYSA-N -1 3 452.454 4.638 20 0 JJADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1cc(-n2cccc2)ccc1Cl ZINC001443643555 1066343869 /nfs/dbraw/zinc/34/38/69/1066343869.db2.gz UZMAXILDCZCFOX-UHFFFAOYSA-N -1 3 457.861 4.773 20 0 JJADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@]34CCC[C@H]3OCC4)c2)cc1 ZINC001455110211 1066362626 /nfs/dbraw/zinc/36/26/26/1066362626.db2.gz KJSOTFVETVPGIQ-NOZRDPDXSA-N -1 3 456.608 4.580 20 0 JJADHM Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC001455256046 1066375885 /nfs/dbraw/zinc/37/58/85/1066375885.db2.gz PGRAMBMMYHBPIJ-UCLAIMLFSA-N -1 3 450.963 4.897 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(C)c(C)c(O)c3)ccc2C)cc1 ZINC001455261379 1066376920 /nfs/dbraw/zinc/37/69/20/1066376920.db2.gz HLUNDVUMFGLGTQ-UHFFFAOYSA-N -1 3 454.548 4.769 20 0 JJADHM CC(C)(C)OC(=O)N1CCC[C@@]1(C[N-]C(=O)C(F)(F)c1ccc(Cl)cc1)C(F)(F)F ZINC001455953466 1066459509 /nfs/dbraw/zinc/45/95/09/1066459509.db2.gz MBBYETGIQDOROK-QGZVFWFLSA-N -1 3 456.839 4.880 20 0 JJADHM CCc1nc(C)c([C@H](C)N(C)C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC001444496462 1066467533 /nfs/dbraw/zinc/46/75/33/1066467533.db2.gz ASYIQXAZAYCUJH-LAUBAEHRSA-N -1 3 451.592 4.800 20 0 JJADHM CN(C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccc(Br)cc1 ZINC001456077321 1066504497 /nfs/dbraw/zinc/50/44/97/1066504497.db2.gz OBHPLEBPGKZDDC-NRFANRHFSA-N -1 3 453.336 4.679 20 0 JJADHM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC001444970607 1066524387 /nfs/dbraw/zinc/52/43/87/1066524387.db2.gz KKISATQTWYQFOE-HJPURHCSSA-N -1 3 456.514 4.989 20 0 JJADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CC(Cc2ccccc2Cl)C1 ZINC001445472687 1066574982 /nfs/dbraw/zinc/57/49/82/1066574982.db2.gz IPGSEBPOKLZBKU-UHFFFAOYSA-N -1 3 458.942 4.595 20 0 JJADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)[C@@H]3CC[C@H]4CCCC[C@H]4C3)c2)cc1 ZINC001456414888 1066581247 /nfs/dbraw/zinc/58/12/47/1066581247.db2.gz RVBSTFNMTYRBCN-QHAWAJNXSA-N -1 3 456.608 4.719 20 0 JJADHM O=C([N-]c1nc(-c2ccc(F)cc2)ns1)c1cc(Br)ncc1Br ZINC001456447019 1066589031 /nfs/dbraw/zinc/58/90/31/1066589031.db2.gz URXBKJCEKKZWGM-UHFFFAOYSA-N -1 3 458.110 4.517 20 0 JJADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC3(OC(C)C)CCCCC3)c2)cc1 ZINC001445589959 1066592822 /nfs/dbraw/zinc/59/28/22/1066592822.db2.gz HAUBUJIMUQAAHU-UHFFFAOYSA-N -1 3 458.624 4.962 20 0 JJADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)c(Cl)cc1Cl ZINC001456519266 1066610468 /nfs/dbraw/zinc/61/04/68/1066610468.db2.gz NTNVBSYGGAUCAK-XPEUFWPYSA-N -1 3 471.450 4.745 20 0 JJADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ncc(CC)s2)c(Cl)cc1Cl ZINC001456730943 1066675894 /nfs/dbraw/zinc/67/58/94/1066675894.db2.gz MMKVRDYLAVKXSL-SNVBAGLBSA-N -1 3 450.413 4.732 20 0 JJADHM COC(=O)c1cc(NC(=O)CCN2c3ccccc3Sc3ccccc32)c([O-])c(OC)c1 ZINC001456745341 1066679640 /nfs/dbraw/zinc/67/96/40/1066679640.db2.gz JTRUUMPFDSWOFX-UHFFFAOYSA-N -1 3 450.516 4.819 20 0 JJADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC001456803695 1066695288 /nfs/dbraw/zinc/69/52/88/1066695288.db2.gz WGVOJBMIQPWMDB-UHFFFAOYSA-N -1 3 456.289 4.512 20 0 JJADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC001456803695 1066695294 /nfs/dbraw/zinc/69/52/94/1066695294.db2.gz WGVOJBMIQPWMDB-UHFFFAOYSA-N -1 3 456.289 4.512 20 0 JJADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1cnc(-c2ccccc2Br)s1 ZINC001456951138 1066728633 /nfs/dbraw/zinc/72/86/33/1066728633.db2.gz WQVPDAPPMPKSBF-JOCQHMNTSA-N -1 3 459.369 4.524 20 0 JJADHM COC(=O)c1cc2nc(NC(=O)c3c[nH]cc3-c3ccc(C)s3)[n-]c2c(Br)c1 ZINC001457013105 1066742167 /nfs/dbraw/zinc/74/21/67/1066742167.db2.gz DYQUHIUBBJKYTK-UHFFFAOYSA-N -1 3 459.325 4.729 20 0 JJADHM O=C(C/C=C/c1ccc(Br)cc1)Nc1ccc(I)cc1[O-] ZINC001447631422 1066831956 /nfs/dbraw/zinc/83/19/56/1066831956.db2.gz SLFHMLGDZQWOHB-OWOJBTEDSA-N -1 3 458.093 4.801 20 0 JJADHM Cc1ccc(NC(=O)c2cnc3ccc(F)cc3c2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC001457573870 1066868456 /nfs/dbraw/zinc/86/84/56/1066868456.db2.gz SSIQCNYZGRDGIM-UHFFFAOYSA-N -1 3 453.470 4.875 20 0 JJADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC[C@H](Cc3ccccc3)C(C)C)cs2)c1 ZINC001447949699 1066880459 /nfs/dbraw/zinc/88/04/59/1066880459.db2.gz BVQTZYGBVQXZST-IBGZPJMESA-N -1 3 451.592 4.583 20 0 JJADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC[C@@H](Cc3ccccc3)C(C)C)cs2)c1 ZINC001447949701 1066880500 /nfs/dbraw/zinc/88/05/00/1066880500.db2.gz BVQTZYGBVQXZST-LJQANCHMSA-N -1 3 451.592 4.583 20 0 JJADHM O=C([N-]c1nc(Sc2ccccc2)ns1)c1cnn(-c2ccccc2)c1Br ZINC001457633856 1066888029 /nfs/dbraw/zinc/88/80/29/1066888029.db2.gz WEEMQPXAMOSTLU-UHFFFAOYSA-N -1 3 458.366 4.890 20 0 JJADHM Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC001448068939 1066895669 /nfs/dbraw/zinc/89/56/69/1066895669.db2.gz DKOBKMCIRBFODE-UHFFFAOYSA-N -1 3 457.715 4.895 20 0 JJADHM CCc1c(C(=O)[N-]c2nc(Sc3ccc(C)cc3)ns2)nnn1Cc1ccc(F)cc1 ZINC001457748688 1066910273 /nfs/dbraw/zinc/91/02/73/1066910273.db2.gz ASSOJPMODDAFLW-UHFFFAOYSA-N -1 3 454.556 4.591 20 0 JJADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3ccc4ccc(Cl)cc4n3)cs2)c1 ZINC001448340172 1066917677 /nfs/dbraw/zinc/91/76/77/1066917677.db2.gz CEFYNEQVEPVTHY-UHFFFAOYSA-N -1 3 452.923 4.792 20 0 JJADHM COc1cc(NC(=O)c2cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc2Cl)c(C)cc1C ZINC001448349581 1066918627 /nfs/dbraw/zinc/91/86/27/1066918627.db2.gz JAQNSENNNWAHOT-UHFFFAOYSA-N -1 3 459.395 4.805 20 0 JJADHM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(CN(C)C)c(Cl)c3)c2)c1 ZINC001448735575 1066955167 /nfs/dbraw/zinc/95/51/67/1066955167.db2.gz FTJZMQZWVXPUMR-UHFFFAOYSA-N -1 3 457.983 4.763 20 0 JJADHM CC(C)(C)OC(=O)N1CC=C(CCNC(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC001448844460 1066963368 /nfs/dbraw/zinc/96/33/68/1066963368.db2.gz IMIIMRYQGKLNAQ-UHFFFAOYSA-N -1 3 450.579 4.865 20 0 JJADHM CCCC[C@@H](C)N(CCCC)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC001450070276 1067046856 /nfs/dbraw/zinc/04/68/56/1067046856.db2.gz DFYJACLLYOLGEC-CQSZACIVSA-N -1 3 454.352 4.954 20 0 JJADHM CON(Cc1ccccc1Cl)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC001450595459 1067093016 /nfs/dbraw/zinc/09/30/16/1067093016.db2.gz SMDDMWZIENFOQE-UHFFFAOYSA-N -1 3 458.967 4.961 20 0 JJADHM CC(=O)c1cccc(NC(=O)C[C@@H](C)CCc2ccc(I)cc2)c1[O-] ZINC001450595745 1067093358 /nfs/dbraw/zinc/09/33/58/1067093358.db2.gz HUSVJDYHFNUBSF-ZDUSSCGKSA-N -1 3 451.304 4.797 20 0 JJADHM CC(=O)c1cccc(NC(=O)CCCCCc2ccc(I)cc2)c1[O-] ZINC001450608501 1067095204 /nfs/dbraw/zinc/09/52/04/1067095204.db2.gz MVLSPSYPQIAXRM-UHFFFAOYSA-N -1 3 451.304 4.941 20 0 JJADHM CON(Cc1ccc(Cl)cc1)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC001450626966 1067097217 /nfs/dbraw/zinc/09/72/17/1067097217.db2.gz NYTCCPOJBLROPI-UHFFFAOYSA-N -1 3 456.123 4.801 20 0 JJADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC001545810918 1067139526 /nfs/dbraw/zinc/13/95/26/1067139526.db2.gz HJYHFCJCOHXLNU-IBGZPJMESA-N -1 3 450.445 4.706 20 0 JJADHM CC1(C)[C@@H](CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)[C@@H]1c1ccccc1 ZINC001451104080 1067146178 /nfs/dbraw/zinc/14/61/78/1067146178.db2.gz MUOMLRNKSQGJAN-REWPJTCUSA-N -1 3 452.551 4.796 20 0 JJADHM C[C@]1(c2ccc(C(F)(F)F)cc2)[N-]C(=O)N(Cc2ccc(Cl)nc2C(F)(F)F)C1=O ZINC001458912962 1067194768 /nfs/dbraw/zinc/19/47/68/1067194768.db2.gz BRDYQYNAMWKAIV-MRXNPFEDSA-N -1 3 451.754 4.740 20 0 JJADHM O=C([N-]c1cccc2nonc21)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl ZINC001459957235 1067506748 /nfs/dbraw/zinc/50/67/48/1067506748.db2.gz HIBBHWRPZPSRMT-UHFFFAOYSA-N -1 3 457.746 4.968 20 0 JJADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)c(Cl)cc1Cl ZINC001460810240 1067728317 /nfs/dbraw/zinc/72/83/17/1067728317.db2.gz MMQRPQGYCKVZLX-PTAUBWNISA-N -1 3 473.397 4.885 20 0 JJADHM O=C([N-]c1c(F)cc(I)cc1F)c1cnc(Cc2ccccc2)s1 ZINC001460893573 1067744843 /nfs/dbraw/zinc/74/48/43/1067744843.db2.gz DSLFRGDAQHLRMY-UHFFFAOYSA-N -1 3 456.255 4.869 20 0 JJADHM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(CNCc2cccc(F)c2OC(F)F)cc1 ZINC001461345962 1067834842 /nfs/dbraw/zinc/83/48/42/1067834842.db2.gz TVLVLUJOOMDYPY-UHFFFAOYSA-N -1 3 454.445 4.657 20 0 JJADHM O=S(=O)([N-]CC1(c2ccccc2)CCC1)c1cc(Br)ccc1Br ZINC001462780252 1068166425 /nfs/dbraw/zinc/16/64/25/1068166425.db2.gz VXFOVLPSVYYFRM-UHFFFAOYSA-N -1 3 459.203 4.612 20 0 JJADHM Cc1nc(S(=O)(=O)[N-][C@@H](C)Cc2ccc(Br)cc2)c(-c2ccccc2)s1 ZINC001462836581 1068184635 /nfs/dbraw/zinc/18/46/35/1068184635.db2.gz JJIYDXJCTSHKFF-ZDUSSCGKSA-N -1 3 451.411 4.791 20 0 JJADHM O=S(=O)([N-]Cc1ccccc1OCc1ccccc1)c1cc(Br)ccc1F ZINC001462851593 1068190548 /nfs/dbraw/zinc/19/05/48/1068190548.db2.gz HWFFYEWKDCEZFX-UHFFFAOYSA-N -1 3 450.329 4.646 20 0 JJADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H](c2ccsc2)c2ccc(Cl)cc2)c1 ZINC001462895465 1068206444 /nfs/dbraw/zinc/20/64/44/1068206444.db2.gz KKTQDLQYHQDBGM-LJQANCHMSA-N -1 3 453.944 4.704 20 0 JJADHM Cc1cc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2Br)c(Br)c1 ZINC001462937890 1068222181 /nfs/dbraw/zinc/22/21/81/1068222181.db2.gz ZERUYOOUDHUPRY-UHFFFAOYSA-N -1 3 453.583 4.652 20 0 JJADHM O=S(=O)([N-]Cc1ccc(OC2CCCCC2)nc1)c1cccc(Cl)c1Br ZINC001462998077 1068243784 /nfs/dbraw/zinc/24/37/84/1068243784.db2.gz JWJXGVKFJMBAKM-UHFFFAOYSA-N -1 3 459.793 4.688 20 0 JJADHM CCC(CC)(C[N-]S(=O)(=O)c1ccc(C(=O)OC)s1)c1ccc(Cl)c(Cl)c1 ZINC001463016101 1068252639 /nfs/dbraw/zinc/25/26/39/1068252639.db2.gz DCPKCFDANGIJHW-UHFFFAOYSA-N -1 3 450.409 4.878 20 0 JJADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H](COc1ccccc1F)C(C)(C)C ZINC001463063427 1068272210 /nfs/dbraw/zinc/27/22/10/1068272210.db2.gz IHWFHSOXBQLETK-CQSZACIVSA-N -1 3 450.395 4.730 20 0 JJADHM Cc1ccc(C[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)c2ccccn2)cc1 ZINC001463095969 1068285326 /nfs/dbraw/zinc/28/53/26/1068285326.db2.gz NURPMMRZISBFTK-INIZCTEOSA-N -1 3 455.889 4.720 20 0 JJADHM Cc1ccc(C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)c2ccccn2)cc1 ZINC001463095976 1068285388 /nfs/dbraw/zinc/28/53/88/1068285388.db2.gz NURPMMRZISBFTK-MRXNPFEDSA-N -1 3 455.889 4.720 20 0 JJADHM Cc1ccc(C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)c2ccccn2)cc1 ZINC001463097509 1068285561 /nfs/dbraw/zinc/28/55/61/1068285561.db2.gz RTGQLNRQQBAGFF-GOSISDBHSA-N -1 3 454.445 4.690 20 0 JJADHM CN(C(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)/C=C/c1ccccc1Cl)c1ccccc1 ZINC001463099579 1068286986 /nfs/dbraw/zinc/28/69/86/1068286986.db2.gz NZRPJFKYROFAKE-OFYULWLWSA-N -1 3 454.979 4.504 20 0 JJADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c1Cl ZINC001463104111 1068288864 /nfs/dbraw/zinc/28/88/64/1068288864.db2.gz ZRQRNWXBRPTTPV-ZDUSSCGKSA-N -1 3 453.313 4.878 20 0 JJADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](C)Oc2cccc(Br)c2)c1Cl ZINC001463211845 1068321993 /nfs/dbraw/zinc/32/19/93/1068321993.db2.gz COQPBBBACTYCEY-NSHDSACASA-N -1 3 453.185 4.810 20 0 JJADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H](C)c2ccc(-c3ccccc3OC)cc2)c1 ZINC001463222696 1068325421 /nfs/dbraw/zinc/32/54/21/1068325421.db2.gz UXGDRZMNHDPGRO-MRXNPFEDSA-N -1 3 457.523 4.636 20 0 JJADHM C[C@H]([N-]S(=O)(=O)c1ccc(OCC2CCCCC2)cc1)c1nc(Cc2ccccc2)no1 ZINC001463264422 1068338727 /nfs/dbraw/zinc/33/87/27/1068338727.db2.gz BNTLEKIZTNVRSA-SFHVURJKSA-N -1 3 455.580 4.659 20 0 JJADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2csc(CCc3ccccc3)n2)s1 ZINC001463282743 1068343542 /nfs/dbraw/zinc/34/35/42/1068343542.db2.gz FCTZLGUWWJMNPG-UHFFFAOYSA-N -1 3 457.440 4.539 20 0 JJADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C1CCC(C)(c2ccccc2)CC1 ZINC001463322463 1068356113 /nfs/dbraw/zinc/35/61/13/1068356113.db2.gz KUVKMNBKQISWGC-UHFFFAOYSA-N -1 3 456.377 4.776 20 0 JJADHM CCN(CC)C(=O)Nc1ccc([C@@H](C)[N-]S(=O)(=O)c2csnc2-c2ccccc2)cc1 ZINC001463328195 1068358264 /nfs/dbraw/zinc/35/82/64/1068358264.db2.gz YSMPZVOVWNDWDV-MRXNPFEDSA-N -1 3 458.609 4.723 20 0 JJADHM O=S(=O)([N-][C@@H](c1cccc(F)c1)c1cccc(Cl)c1)c1ccc(Cl)c2nonc21 ZINC001463339092 1068361747 /nfs/dbraw/zinc/36/17/47/1068361747.db2.gz UGSUQOLTEACYDX-QGZVFWFLSA-N -1 3 452.294 4.737 20 0 JJADHM O=S(=O)([N-]CCc1cccc(OCc2ccccc2)c1)c1csc(-c2ccccc2)n1 ZINC001463359222 1068370638 /nfs/dbraw/zinc/37/06/38/1068370638.db2.gz VPQMLMQZRRSUJX-UHFFFAOYSA-N -1 3 450.585 4.910 20 0 JJADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC001463402035 1068385511 /nfs/dbraw/zinc/38/55/11/1068385511.db2.gz XGZNQANJQSFCAL-YKSBVNFPSA-N -1 3 453.535 4.752 20 0 JJADHM CO[C@@H](c1ccc(Br)cc1)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001463405109 1068385848 /nfs/dbraw/zinc/38/58/48/1068385848.db2.gz ADSOWZOAVZKRMQ-MEBBXXQBSA-N -1 3 453.185 4.810 20 0 JJADHM COC(=O)c1cc(S(=O)(=O)[N-]CC2(C)CCCCCC2)c(Br)cc1Cl ZINC001463405863 1068386524 /nfs/dbraw/zinc/38/65/24/1068386524.db2.gz CSKSSUWWVBKWQQ-UHFFFAOYSA-N -1 3 452.798 4.528 20 0 JJADHM CCCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2cccc3ccccc32)C(F)(F)F)cc1 ZINC001463500228 1068420471 /nfs/dbraw/zinc/42/04/71/1068420471.db2.gz UIVNSFFCMIULSD-HXUWFJFHSA-N -1 3 451.466 4.989 20 0 JJADHM Cc1cc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3F)CCCC2)sc1Br ZINC001463562048 1068444186 /nfs/dbraw/zinc/44/41/86/1068444186.db2.gz QQHSARLGGQXREN-UHFFFAOYSA-N -1 3 450.370 4.888 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(F)c(C)c3)c2)cc1 ZINC001463582846 1068456202 /nfs/dbraw/zinc/45/62/02/1068456202.db2.gz OXYLHQGTBKUWAH-UHFFFAOYSA-N -1 3 458.511 4.595 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H](C)[C@@H]3OCCc4sccc43)cc2)cc1 ZINC001463637426 1068477716 /nfs/dbraw/zinc/47/77/16/1068477716.db2.gz YNRJUWFGYWOBIO-ZHRRBRCNSA-N -1 3 456.589 4.746 20 0 JJADHM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-][C@@H](c3ccc(F)cc3)C(F)(F)F)cc2c1C ZINC001463655669 1068483717 /nfs/dbraw/zinc/48/37/17/1068483717.db2.gz DRNQNYOKNOYLPN-SFHVURJKSA-N -1 3 459.417 4.639 20 0 JJADHM COCCC[C@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1ccc(Cl)cc1 ZINC001463676103 1068490479 /nfs/dbraw/zinc/49/04/79/1068490479.db2.gz NTNIVXYLQNDKSL-GOSISDBHSA-N -1 3 451.013 4.952 20 0 JJADHM COCCC[C@@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1ccc(Cl)cc1 ZINC001463676107 1068490511 /nfs/dbraw/zinc/49/05/11/1068490511.db2.gz NTNIVXYLQNDKSL-SFHVURJKSA-N -1 3 451.013 4.952 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ncc(Cl)s3)ccc2C)cc1 ZINC001463694203 1068495938 /nfs/dbraw/zinc/49/59/38/1068495938.db2.gz MMBHBEXAVVRNLT-UHFFFAOYSA-N -1 3 451.957 4.557 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C\c3cccnc3C)ccc2C)cc1 ZINC001463693718 1068496059 /nfs/dbraw/zinc/49/60/59/1068496059.db2.gz KFVVRPIEOHNLAA-ZSOIEALJSA-N -1 3 451.548 4.550 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(C(C)=O)cs3)ccc2C)cc1 ZINC001463694929 1068496776 /nfs/dbraw/zinc/49/67/76/1068496776.db2.gz PQMKWIPBRSCOFZ-UHFFFAOYSA-N -1 3 458.561 4.711 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(C)n(C(C)C)n3)ccc2C)cc1 ZINC001463694451 1068496815 /nfs/dbraw/zinc/49/68/15/1068496815.db2.gz NHNRUZUKRDPHBF-UHFFFAOYSA-N -1 3 456.568 4.533 20 0 JJADHM CCC1=C(C(=O)Nc2ccc(OC)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)CCCO1 ZINC001463698165 1068497943 /nfs/dbraw/zinc/49/79/43/1068497943.db2.gz FGJRZUDKEWBLIX-UHFFFAOYSA-N -1 3 450.944 4.562 20 0 JJADHM COc1ccc(NC(=O)[C@@H](C)c2ccsc2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC001463700159 1068499143 /nfs/dbraw/zinc/49/91/43/1068499143.db2.gz QCRSBXICTIYMGJ-ZDUSSCGKSA-N -1 3 450.969 4.953 20 0 JJADHM O=S(=O)([N-]Cc1c(Cl)cccc1-n1ccnc1)c1cc(Cl)ccc1C(F)(F)F ZINC001463761621 1068516646 /nfs/dbraw/zinc/51/66/46/1068516646.db2.gz QNKUSTKHJQPTOM-UHFFFAOYSA-N -1 3 450.269 4.676 20 0 JJADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001463770201 1068518589 /nfs/dbraw/zinc/51/85/89/1068518589.db2.gz YGMLWOOOBLOUTE-GOEBONIOSA-N -1 3 458.805 4.973 20 0 JJADHM C[C@@H](CCCc1cccnc1)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC001463849107 1068547652 /nfs/dbraw/zinc/54/76/52/1068547652.db2.gz CGBFXHGJPGQTRA-LBPRGKRZSA-N -1 3 451.308 4.553 20 0 JJADHM COc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Br)c2ccco2)cc1 ZINC001463892402 1068557251 /nfs/dbraw/zinc/55/72/51/1068557251.db2.gz BUKUPSIVEGLORI-GOSISDBHSA-N -1 3 456.745 4.772 20 0 JJADHM O=C(NCc1c(Cl)cccc1Cl)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001464068874 1068604283 /nfs/dbraw/zinc/60/42/83/1068604283.db2.gz ZBHIBSUSYLCKHR-UHFFFAOYSA-N -1 3 453.322 4.863 20 0 JJADHM COc1cc([C@H](C)NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)ccc1OC(C)C ZINC001464092384 1068611912 /nfs/dbraw/zinc/61/19/12/1068611912.db2.gz BKVJVTYVISBVRD-ZDUSSCGKSA-N -1 3 459.340 4.577 20 0 JJADHM O=S(=O)([N-][C@@H](C(F)F)C1CCCCC1)c1cc(Br)cc(C(F)(F)F)c1 ZINC001464117583 1068620543 /nfs/dbraw/zinc/62/05/43/1068620543.db2.gz RAGZCGVDLWDZEF-CYBMUJFWSA-N -1 3 450.267 4.960 20 0 JJADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2c[nH]c3cc(F)c(Cl)cc23)s1 ZINC001464193185 1068651006 /nfs/dbraw/zinc/65/10/06/1068651006.db2.gz DWZRYVWUYXSKQE-UHFFFAOYSA-N -1 3 451.770 4.614 20 0 JJADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)c2)n1 ZINC001464243729 1068673344 /nfs/dbraw/zinc/67/33/44/1068673344.db2.gz XUPPGTARQYFPSW-KRWDZBQOSA-N -1 3 456.587 4.927 20 0 JJADHM CC(C)(C)OC(=O)N1C[C@H](CC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c2ccccc21 ZINC001464264098 1068680536 /nfs/dbraw/zinc/68/05/36/1068680536.db2.gz NYHGSQHMDLVWQS-AWEZNQCLSA-N -1 3 454.951 4.686 20 0 JJADHM CC(C)(C)c1ccc(C[N-]S(=O)(=O)c2cc(Br)ccc2Br)o1 ZINC001464272126 1068684075 /nfs/dbraw/zinc/68/40/75/1068684075.db2.gz VROMELOCRJFXAF-UHFFFAOYSA-N -1 3 451.180 4.581 20 0 JJADHM O=S(=O)([N-]CC1C[C@H]2CC[C@@H](C1)S2)c1csc(-c2ccc(Br)cc2)n1 ZINC001464495961 1068766337 /nfs/dbraw/zinc/76/63/37/1068766337.db2.gz DLPYYSXDXNVFBZ-PHTAMDTFSA-N -1 3 459.456 4.525 20 0 JJADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 ZINC001464633848 1068805591 /nfs/dbraw/zinc/80/55/91/1068805591.db2.gz XXCLYJZYMDGERW-SFHVURJKSA-N -1 3 453.546 4.885 20 0 JJADHM O=C(Nc1ccc(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1)c1ccncc1 ZINC001464721743 1068838567 /nfs/dbraw/zinc/83/85/67/1068838567.db2.gz MNDBGIYFWJLUFJ-UHFFFAOYSA-N -1 3 451.526 4.755 20 0 JJADHM O=C(C1=CC2(CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC2)c2ccccc21)N1CCCC1 ZINC001164928367 721899670 /nfs/dbraw/zinc/89/96/70/721899670.db2.gz NKGAMHOOKGGPKS-UHFFFAOYSA-N -1 3 476.980 4.521 20 0 JJADHM C[C@H](CO[N-]C(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccccc1)NC(=O)OC(C)(C)C ZINC001545858550 1064266468 /nfs/dbraw/zinc/26/64/68/1064266468.db2.gz RWOHZPRJGCCUEU-MRXNPFEDSA-N -1 3 455.530 4.868 20 0 JJADHM CC(=O)Nc1ccccc1C(F)(F)C(=O)[N-]CCOc1c(Cl)cc(Cl)cc1Cl ZINC001435446502 1064761841 /nfs/dbraw/zinc/76/18/41/1064761841.db2.gz AAQLTRVCBPENFG-UHFFFAOYSA-N -1 3 451.684 4.892 20 0 JJADHM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC001435614824 1064877702 /nfs/dbraw/zinc/87/77/02/1064877702.db2.gz MJJSBCVIYOQXLW-UHFFFAOYSA-N -1 3 453.545 4.573 20 0 JJADHM COC(=O)c1cc(Br)cc([N-]C(=O)c2cc(-c3ccc(F)cc3)no2)c1Cl ZINC001435622179 1064883556 /nfs/dbraw/zinc/88/35/56/1064883556.db2.gz QZSSSOYNJMOANS-UHFFFAOYSA-N -1 3 453.651 4.936 20 0 JJADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3ocnc32)c(Cl)cc1Cl ZINC001435931975 1065069023 /nfs/dbraw/zinc/06/90/23/1065069023.db2.gz RVQOFGJMMDMGIS-LLVKDONJSA-N -1 3 456.351 4.854 20 0 JJADHM CC[C@H]1CCc2c(sc([N-]C(=O)c3cc(-c4ccn(C)n4)on3)c2C(=O)OC(C)(C)C)C1 ZINC001435951476 1065078458 /nfs/dbraw/zinc/07/84/58/1065078458.db2.gz OPAFYZKDNUFXGH-ZDUSSCGKSA-N -1 3 456.568 4.859 20 0 JJADHM CCOC(=O)c1cc(F)c(F)cc1[N-]C(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC001360212580 1065082937 /nfs/dbraw/zinc/08/29/37/1065082937.db2.gz ZPUMJCCCCWSFIZ-UHFFFAOYSA-N -1 3 451.223 4.811 20 0 JJADHM Cc1ccc(OCc2ccccc2)c(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c1 ZINC001436016476 1065115247 /nfs/dbraw/zinc/11/52/47/1065115247.db2.gz GVMKKYMYUNNNPF-UHFFFAOYSA-N -1 3 456.539 4.652 20 0 JJADHM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1ccnc(NC(=O)OC(C)(C)C)c1 ZINC001436247139 1065274110 /nfs/dbraw/zinc/27/41/10/1065274110.db2.gz OSWYSBCKINLTSX-UHFFFAOYSA-N -1 3 452.467 4.513 20 0 JJADHM COC(=O)c1cc2nc(NC(=O)[C@H](C)Cc3cccc(Cl)c3)[n-]c2c(Br)c1 ZINC001440025983 1065904198 /nfs/dbraw/zinc/90/41/98/1065904198.db2.gz CXAMFUDPPUTIBR-SNVBAGLBSA-N -1 3 450.720 4.583 20 0 JJADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)c(Cl)cc1Cl ZINC001440209743 1065924195 /nfs/dbraw/zinc/92/41/95/1065924195.db2.gz YRHKOGLUASVNIT-PVAVHDDUSA-N -1 3 469.434 4.994 20 0 JJADHM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1ncoc1C1CC1 ZINC001440561967 1065949447 /nfs/dbraw/zinc/94/94/47/1065949447.db2.gz BWDSJIKTEQFMQX-UHFFFAOYSA-N -1 3 452.319 4.912 20 0 JJADHM Cc1cc(C)c(CNC(=O)c2cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc2Cl)c(C)c1 ZINC001441219179 1066016486 /nfs/dbraw/zinc/01/64/86/1066016486.db2.gz HYTCWUKFROYOQY-UHFFFAOYSA-N -1 3 457.423 4.783 20 0 JJADHM C[C@H](C(=O)Nc1cccc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1)n1cccn1 ZINC001441251874 1066021287 /nfs/dbraw/zinc/02/12/87/1066021287.db2.gz YDLBLEYLJIMCTG-LJQANCHMSA-N -1 3 454.530 4.826 20 0 JJADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)C1 ZINC001441319803 1066027435 /nfs/dbraw/zinc/02/74/35/1066027435.db2.gz ZOJLGPKCUZEAFM-HUUCEWRRSA-N -1 3 458.584 4.861 20 0 JJADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)c([O-])c1 ZINC001441885900 1066078381 /nfs/dbraw/zinc/07/83/81/1066078381.db2.gz FELLEIKLXUGCQL-AWEZNQCLSA-N -1 3 453.391 4.745 20 0 JJADHM Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(Br)cc2F)c2ccccc2)c([O-])c1 ZINC001442807639 1066225443 /nfs/dbraw/zinc/22/54/43/1066225443.db2.gz YSKOSCQWENNAFE-HXUWFJFHSA-N -1 3 457.299 4.712 20 0 JJADHM CCCCN(Cc1ccccc1F)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC001442997913 1066251167 /nfs/dbraw/zinc/25/11/67/1066251167.db2.gz OGDFUWXBCITTDY-UHFFFAOYSA-N -1 3 455.555 4.920 20 0 JJADHM CCc1c(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)nnn1-c1cccc(Cl)c1 ZINC001361072424 1066313722 /nfs/dbraw/zinc/31/37/22/1066313722.db2.gz CHYBPSWVZAREEH-UHFFFAOYSA-N -1 3 459.362 4.831 20 0 JJADHM O=C(CCC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)c1ccc(Cl)cc1 ZINC001454920031 1066341751 /nfs/dbraw/zinc/34/17/51/1066341751.db2.gz KYOPXHMPMQOBHS-OAHLLOKOSA-N -1 3 452.860 4.502 20 0 JJADHM C[C@@H](Cc1cncc2ccccc21)C(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001454940218 1066344593 /nfs/dbraw/zinc/34/45/93/1066344593.db2.gz ZVDHJMVEIQPIGA-WMZOPIPTSA-N -1 3 455.480 4.612 20 0 JJADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](c2ccccc2Cl)C1(C)C ZINC001455206334 1066370118 /nfs/dbraw/zinc/37/01/18/1066370118.db2.gz WAZAZFGVBJFJDB-FQEVSTJZSA-N -1 3 450.970 4.521 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)c3cccc(C)c3C)c2)cc1 ZINC001443817220 1066371362 /nfs/dbraw/zinc/37/13/62/1066371362.db2.gz KBBQSARVNOLJQJ-LJQANCHMSA-N -1 3 452.576 4.912 20 0 JJADHM CCSc1ccc(CNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)cc1 ZINC001455223839 1066372263 /nfs/dbraw/zinc/37/22/63/1066372263.db2.gz GERZYWFZUREQDB-UHFFFAOYSA-N -1 3 451.773 4.986 20 0 JJADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)c1 ZINC001443997566 1066392390 /nfs/dbraw/zinc/39/23/90/1066392390.db2.gz NXIOXRWJRFHRIC-UHFFFAOYSA-N -1 3 457.408 4.653 20 0 JJADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NC[C@@H]3C[C@H]3C(F)(F)F)ccc2C)c(C)c1 ZINC001455559427 1066410400 /nfs/dbraw/zinc/41/04/00/1066410400.db2.gz NTSIKUWUNBBYKG-ZWKOTPCHSA-N -1 3 454.514 4.649 20 0 JJADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NCC[C@H]3CC(C)(C)CO3)ccc2C)c(C)c1 ZINC001455708752 1066425525 /nfs/dbraw/zinc/42/55/25/1066425525.db2.gz DOIVFKIORDLHCH-NRFANRHFSA-N -1 3 458.624 4.656 20 0 JJADHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1OCC1CCCCC1 ZINC001444469984 1066463997 /nfs/dbraw/zinc/46/39/97/1066463997.db2.gz IWMPFHVRDZLFBL-UHFFFAOYSA-N -1 3 457.017 4.586 20 0 JJADHM CC(C)(C)OC(=O)N1CCCC[C@]12CCN(C(=O)c1cc(Cc3ccccc3)ccc1[O-])C2 ZINC001456130347 1066517292 /nfs/dbraw/zinc/51/72/92/1066517292.db2.gz LGBMZEVLQNKWQO-HHHXNRCGSA-N -1 3 450.579 4.989 20 0 JJADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H](c1ccc(F)cc1F)C1CC1 ZINC001444970672 1066524949 /nfs/dbraw/zinc/52/49/49/1066524949.db2.gz AYNWLZJLFQHKLE-ZCYQVOJMSA-N -1 3 450.485 4.799 20 0 JJADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N(Cc1ccccc1)CC(F)F ZINC001444979594 1066525568 /nfs/dbraw/zinc/52/55/68/1066525568.db2.gz CLRYECDNJYLROX-UHFFFAOYSA-N -1 3 455.686 4.852 20 0 JJADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(-c3cccc(Br)c3)c2)c([O-])c1 ZINC001456177902 1066529940 /nfs/dbraw/zinc/52/99/40/1066529940.db2.gz VQAUPAHMNSHVEW-UHFFFAOYSA-N -1 3 453.336 4.889 20 0 JJADHM O=C(CC1(O)CCCCC1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c(Cl)c1 ZINC001445058346 1066535163 /nfs/dbraw/zinc/53/51/63/1066535163.db2.gz UEMNMPAJPQDDES-UHFFFAOYSA-N -1 3 457.379 4.818 20 0 JJADHM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001445177480 1066543751 /nfs/dbraw/zinc/54/37/51/1066543751.db2.gz JOKGQUKMSSHRQK-NPMXOYFQSA-N -1 3 456.514 4.819 20 0 JJADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCc2cc(Cl)cc(Cl)c2[C@H]1C ZINC001445338269 1066559317 /nfs/dbraw/zinc/55/93/17/1066559317.db2.gz MMNQXKUPPFYFRR-CQSZACIVSA-N -1 3 457.361 4.526 20 0 JJADHM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1c(F)cccc1Cl ZINC001445371615 1066563989 /nfs/dbraw/zinc/56/39/89/1066563989.db2.gz BKWFKDXKQLOBKT-ZDUSSCGKSA-N -1 3 450.894 4.910 20 0 JJADHM CC(C)(C)OCc1ccc(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC001445430565 1066571098 /nfs/dbraw/zinc/57/10/98/1066571098.db2.gz RGPHJJZWBGRQRD-UHFFFAOYSA-N -1 3 459.395 4.616 20 0 JJADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)c(Cl)cc1Cl ZINC001456519243 1066610518 /nfs/dbraw/zinc/61/05/18/1066610518.db2.gz NTNVBSYGGAUCAK-ANFGNCAPSA-N -1 3 471.450 4.745 20 0 JJADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC001446270878 1066681824 /nfs/dbraw/zinc/68/18/24/1066681824.db2.gz BQOSLDLKKCPMCM-XZZVZQAVSA-N -1 3 458.558 4.538 20 0 JJADHM CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC001446463670 1066706995 /nfs/dbraw/zinc/70/69/95/1066706995.db2.gz ZMNNMYGVNKBKJY-HNNXBMFYSA-N -1 3 457.552 4.537 20 0 JJADHM CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccccc1O2 ZINC001456885540 1066714222 /nfs/dbraw/zinc/71/42/22/1066714222.db2.gz KXSUVCZVJSNVJY-YADARESESA-N -1 3 458.942 4.679 20 0 JJADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC001456940393 1066726560 /nfs/dbraw/zinc/72/65/60/1066726560.db2.gz YEEVNJGVNUZADH-CZIWCDLHSA-N -1 3 458.440 4.845 20 0 JJADHM Cc1c(C(=O)N(C)[C@@H]2CCSC2)sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC001447165104 1066779862 /nfs/dbraw/zinc/77/98/62/1066779862.db2.gz CHVMEVSUJLQKBI-OAHLLOKOSA-N -1 3 459.662 4.780 20 0 JJADHM Cc1c(C(=O)N(C)[C@H]2CCSC2)sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC001447165095 1066779909 /nfs/dbraw/zinc/77/99/09/1066779909.db2.gz CHVMEVSUJLQKBI-HNNXBMFYSA-N -1 3 459.662 4.780 20 0 JJADHM O=C(CSc1ccccc1C(=O)Nc1ccc(Cl)cc1[O-])Nc1ccc2c(c1)OCO2 ZINC001447273091 1066786898 /nfs/dbraw/zinc/78/68/98/1066786898.db2.gz GZMLFTPSTFJIEL-UHFFFAOYSA-N -1 3 456.907 4.757 20 0 JJADHM COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1cc(Br)ccc1[O-] ZINC001447278550 1066787514 /nfs/dbraw/zinc/78/75/14/1066787514.db2.gz PUEOMHRNIZDRQA-CYBMUJFWSA-N -1 3 457.162 4.751 20 0 JJADHM COc1cc2ncc(C(=O)Nc3cc(Cl)c(C)cc3Br)c([O-])c2c(OC)c1 ZINC001447488315 1066814496 /nfs/dbraw/zinc/81/44/96/1066814496.db2.gz HGSIISXPAMYMGI-UHFFFAOYSA-N -1 3 451.704 4.522 20 0 JJADHM CCCOc1ccc(C(=O)Nc2ccc(I)cc2[O-])c(OCCC)c1 ZINC001447626338 1066830951 /nfs/dbraw/zinc/83/09/51/1066830951.db2.gz RRCHNJXOIWULKX-UHFFFAOYSA-N -1 3 455.292 4.827 20 0 JJADHM Cc1ccc(NC(=O)c2cnn(C3CCCCC3)c2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC001457567696 1066864872 /nfs/dbraw/zinc/86/48/72/1066864872.db2.gz JQDPCYDQZNWISL-UHFFFAOYSA-N -1 3 456.543 4.889 20 0 JJADHM Cc1ccc(NC(=O)c2ccoc2Br)cc1S(=O)(=O)[N-]c1ccccc1F ZINC001457583866 1066871592 /nfs/dbraw/zinc/87/15/92/1066871592.db2.gz ZLPZVVDSUFDWJA-UHFFFAOYSA-N -1 3 453.289 4.543 20 0 JJADHM Cc1cc(C)n(-c2ccc(Cl)c(C(=O)[N-]c3nnc(Cc4ccc(Cl)cc4)s3)n2)n1 ZINC001448052240 1066894001 /nfs/dbraw/zinc/89/40/01/1066894001.db2.gz GCVVICCRHNBMRX-UHFFFAOYSA-N -1 3 459.362 4.886 20 0 JJADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2ccc(Nc3cccnc3)cc2)CC1 ZINC001457733301 1066906054 /nfs/dbraw/zinc/90/60/54/1066906054.db2.gz IUCKJPHNUQXOSH-UHFFFAOYSA-N -1 3 450.926 4.675 20 0 JJADHM O=C(CCc1cccc(C(F)(F)F)c1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC001457737690 1066907239 /nfs/dbraw/zinc/90/72/39/1066907239.db2.gz VURQTAOYGDBNMX-UHFFFAOYSA-N -1 3 454.876 4.874 20 0 JJADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@H](OC)C[C@@H]3C)c2)cc1 ZINC001448231613 1066912269 /nfs/dbraw/zinc/91/22/69/1066912269.db2.gz UKYZTMRWGACDFA-UGKGYDQZSA-N -1 3 458.624 4.778 20 0 JJADHM CCCc1c(NC(=O)c2c[n-]c3c(C)cccc3c2=O)cnn1-c1cc(F)c(OC)cc1F ZINC001457781254 1066918468 /nfs/dbraw/zinc/91/84/68/1066918468.db2.gz RFFWNCWSWBMCTQ-UHFFFAOYSA-N -1 3 452.461 4.514 20 0 JJADHM O=C(c1cc2ccccc2cc1[O-])N(CCn1ccnc1)Cc1ccccc1Br ZINC001449377380 1067005401 /nfs/dbraw/zinc/00/54/01/1067005401.db2.gz VZIKIOJDQAQTNP-UHFFFAOYSA-N -1 3 450.336 4.847 20 0 JJADHM O=C([N-]C[C@@H]1CCCN(c2ncnc3cc(-c4ccc(Cl)cc4)sc32)C1)C(F)(F)F ZINC001458407399 1067054038 /nfs/dbraw/zinc/05/40/38/1067054038.db2.gz UPURQRHFYAGDGC-LBPRGKRZSA-N -1 3 454.905 4.907 20 0 JJADHM CC[C@@H](C)Oc1cccc(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)cc(C)c2[O-])c1 ZINC001450256205 1067064725 /nfs/dbraw/zinc/06/47/25/1067064725.db2.gz LWGYIHRLPHCIAC-QGZVFWFLSA-N -1 3 458.514 4.926 20 0 JJADHM CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3cc(CCc4ccccc4)ccc3[O-])nc21 ZINC001450371535 1067073802 /nfs/dbraw/zinc/07/38/02/1067073802.db2.gz FNZXEUWOXKJLFW-GOSISDBHSA-N -1 3 450.560 4.869 20 0 JJADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001450381771 1067075096 /nfs/dbraw/zinc/07/50/96/1067075096.db2.gz AYBXFJJGEJVKPU-UHFFFAOYSA-N -1 3 452.379 4.725 20 0 JJADHM CC(C)(C(=O)Nc1cccc(Cc2nnn[n-]2)c1)c1csc(-c2c(F)cccc2Cl)n1 ZINC001450914915 1067135981 /nfs/dbraw/zinc/13/59/81/1067135981.db2.gz CEZHUCYVVWKXAU-UHFFFAOYSA-N -1 3 456.934 4.623 20 0 JJADHM CC(C)(C(=O)Nc1cccc(Cc2nn[n-]n2)c1)c1csc(-c2c(F)cccc2Cl)n1 ZINC001450914915 1067135986 /nfs/dbraw/zinc/13/59/86/1067135986.db2.gz CEZHUCYVVWKXAU-UHFFFAOYSA-N -1 3 456.934 4.623 20 0 JJADHM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)c2)c1 ZINC001545810713 1067138867 /nfs/dbraw/zinc/13/88/67/1067138867.db2.gz BDPZXMACFVHBKL-UHFFFAOYSA-N -1 3 456.474 4.862 20 0 JJADHM CC1(C)CC[C@H](CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c2ccccc21 ZINC001545832884 1067183001 /nfs/dbraw/zinc/18/30/01/1067183001.db2.gz DSVUMDVJVBYQFY-MRXNPFEDSA-N -1 3 455.555 4.540 20 0 JJADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nccn2-c2ccc(C(=O)NCc3cccs3)cc2)n1 ZINC001458916786 1067195920 /nfs/dbraw/zinc/19/59/20/1067195920.db2.gz AECOSRFCQHEDQN-OAHLLOKOSA-N -1 3 451.577 4.521 20 0 JJADHM CCCCc1nc(NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)c(C(=O)OCC)[n-]1 ZINC001458955794 1067208051 /nfs/dbraw/zinc/20/80/51/1067208051.db2.gz RFXAGQUKKZYBIV-UHFFFAOYSA-N -1 3 455.536 4.681 20 0 JJADHM O=C(c1ccccc1SCc1ccc(Br)cc1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001452724591 1067246489 /nfs/dbraw/zinc/24/64/89/1067246489.db2.gz FTCZGWRDFNAHIM-HNNXBMFYSA-N -1 3 458.381 4.800 20 0 JJADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)Nc1cc(Cl)ccc1NC(C)C ZINC001453209560 1067289282 /nfs/dbraw/zinc/28/92/82/1067289282.db2.gz FZCUPSZTNBVINB-UHFFFAOYSA-N -1 3 452.898 4.719 20 0 JJADHM O=C(Nc1ncc(Cc2c(F)cccc2F)s1)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001453477841 1067307589 /nfs/dbraw/zinc/30/75/89/1067307589.db2.gz KOTKVSIEJYYPOK-UHFFFAOYSA-N -1 3 453.470 4.950 20 0 JJADHM COC(=O)c1cc(F)cc([N-]C(=O)c2cnc(Nc3ccccc3)nc2C(F)(F)F)c1F ZINC001459743157 1067402474 /nfs/dbraw/zinc/40/24/74/1067402474.db2.gz BHMVFXCRVDZBAK-UHFFFAOYSA-N -1 3 452.339 4.556 20 0 JJADHM COc1ccc(-c2cc3[n-]c(CN[C@@H](CCO)c4ccc(Cl)cc4)nc(=O)c3s2)cc1 ZINC001460173564 1067570131 /nfs/dbraw/zinc/57/01/31/1067570131.db2.gz SVQWAEGVTLNLGK-SFHVURJKSA-N -1 3 455.967 4.527 20 0 JJADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@](C)(Cc2ccc(Cl)cc2)C(C)C)ccc1F ZINC001460311407 1067605094 /nfs/dbraw/zinc/60/50/94/1067605094.db2.gz JRSXHYKACVFTKY-QFIPXVFZSA-N -1 3 454.995 4.553 20 0 JJADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)[C@@H](C)c2ccccc2)ccc1F ZINC001460391339 1067624937 /nfs/dbraw/zinc/62/49/37/1067624937.db2.gz WVUNOCXHBOFVBS-IBGZPJMESA-N -1 3 454.567 4.916 20 0 JJADHM CC(C)(C)OC(=O)c1ccc(C(=O)[N-]c2nc(-c3ccccc3C(F)(F)F)ns2)nc1 ZINC001461476104 1067868395 /nfs/dbraw/zinc/86/83/95/1067868395.db2.gz GGUQOTDNRHKBSP-UHFFFAOYSA-N -1 3 450.442 4.827 20 0 JJADHM Cc1ccc(SC2(C(=O)Nc3ncc(S(=O)(=O)[N-]C(C)(C)C)s3)CCCC2)cc1 ZINC001462211649 1068029656 /nfs/dbraw/zinc/02/96/56/1068029656.db2.gz QEJJFNWUJRKDMX-UHFFFAOYSA-N -1 3 453.655 4.572 20 0 JJADHM Cc1ccc(Oc2ccccc2CC(=O)Nc2ncc(S(=O)(=O)[N-]C(C)(C)C)s2)cc1 ZINC001462214671 1068030337 /nfs/dbraw/zinc/03/03/37/1068030337.db2.gz HZTNAIBDXAGTDA-UHFFFAOYSA-N -1 3 459.593 4.502 20 0 JJADHM [O-]c1c(Br)cc(CN[C@H](c2ccccc2)C2(CO)CCC2)cc1Br ZINC001462275520 1068042215 /nfs/dbraw/zinc/04/22/15/1068042215.db2.gz UYQVPQKPVGNNEJ-GOSISDBHSA-N -1 3 455.190 4.911 20 0 JJADHM O=S(=O)([N-]C[C@@H](c1c(F)cccc1Cl)N1CCCC1)c1cc(Cl)ccc1Cl ZINC001462825374 1068178373 /nfs/dbraw/zinc/17/83/73/1068178373.db2.gz QRKPMOAVPOLHHU-INIZCTEOSA-N -1 3 451.778 4.901 20 0 JJADHM Cc1nc(S(=O)(=O)[N-][C@H](C)Cc2ccc(Br)cc2)c(-c2ccccc2)s1 ZINC001462836577 1068184606 /nfs/dbraw/zinc/18/46/06/1068184606.db2.gz JJIYDXJCTSHKFF-CYBMUJFWSA-N -1 3 451.411 4.791 20 0 JJADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H](c2ccsc2)c2ccc(Cl)cc2)c1 ZINC001462895462 1068206489 /nfs/dbraw/zinc/20/64/89/1068206489.db2.gz KKTQDLQYHQDBGM-IBGZPJMESA-N -1 3 453.944 4.704 20 0 JJADHM Cc1cc(S(=O)(=O)[N-][C@H](C)COc2ccc(C(C)(C)C)cc2)c(F)cc1Br ZINC001462895817 1068207101 /nfs/dbraw/zinc/20/71/01/1068207101.db2.gz YEHDUVRFBSFMFD-CQSZACIVSA-N -1 3 458.393 4.940 20 0 JJADHM C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001462937918 1068221988 /nfs/dbraw/zinc/22/19/88/1068221988.db2.gz HBRZKUHPYBPYLW-AWEZNQCLSA-N -1 3 459.984 4.534 20 0 JJADHM C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001462937918 1068222001 /nfs/dbraw/zinc/22/20/01/1068222001.db2.gz HBRZKUHPYBPYLW-AWEZNQCLSA-N -1 3 459.984 4.534 20 0 JJADHM Cc1cc(Cl)c(S(=O)(=O)[N-]CCc2nc(C(C)(C)C)cs2)c(Br)c1 ZINC001463061079 1068271098 /nfs/dbraw/zinc/27/10/98/1068271098.db2.gz QQZLIAVEGQWXTO-UHFFFAOYSA-N -1 3 451.839 4.686 20 0 JJADHM COC[C@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl)c1ccc(F)cc1 ZINC001463198026 1068317610 /nfs/dbraw/zinc/31/76/10/1068317610.db2.gz OJEPUKJNJAFEAZ-LBPRGKRZSA-N -1 3 457.148 4.561 20 0 JJADHM O=S(=O)([N-][C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ccc(Cl)s1 ZINC001463208534 1068320676 /nfs/dbraw/zinc/32/06/76/1068320676.db2.gz YSUIPSORENOEEC-IBGZPJMESA-N -1 3 456.372 4.894 20 0 JJADHM CCc1cccc2c(CC[N-]S(=O)(=O)c3c(Cl)cc(C)cc3Br)c[nH]c21 ZINC001463272513 1068340972 /nfs/dbraw/zinc/34/09/72/1068340972.db2.gz NXSYJYHRWOFABE-UHFFFAOYSA-N -1 3 455.805 4.976 20 0 JJADHM CC[C@H](Cc1ccccc1Br)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC001463324651 1068357193 /nfs/dbraw/zinc/35/71/93/1068357193.db2.gz NLZANOZMHWUTMD-MRXNPFEDSA-N -1 3 451.411 4.872 20 0 JJADHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC001463343661 1068363684 /nfs/dbraw/zinc/36/36/84/1068363684.db2.gz SFJONZMUVQTFMK-CQSZACIVSA-N -1 3 456.255 4.569 20 0 JJADHM CCOc1cc(Cl)ccc1C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC001463378606 1068377093 /nfs/dbraw/zinc/37/70/93/1068377093.db2.gz LXSNPTFRPMTZAK-UHFFFAOYSA-N -1 3 457.148 4.772 20 0 JJADHM CN1CC[C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC001463434884 1068396197 /nfs/dbraw/zinc/39/61/97/1068396197.db2.gz QOTRURXYNZDZEG-KPZWWZAWSA-N -1 3 451.778 4.757 20 0 JJADHM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-][C@@H](c2cccc3ccccc32)C(F)(F)F)c1 ZINC001463495311 1068419255 /nfs/dbraw/zinc/41/92/55/1068419255.db2.gz CEADVXKEBUJQAI-FQEVSTJZSA-N -1 3 451.466 4.907 20 0 JJADHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)OC(C)C ZINC001463560785 1068443280 /nfs/dbraw/zinc/44/32/80/1068443280.db2.gz HYFZRKBJFQWRRI-QGZVFWFLSA-N -1 3 451.894 4.812 20 0 JJADHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)c2cccc(Cl)c2F)c(F)cc1Br ZINC001463576065 1068452469 /nfs/dbraw/zinc/45/24/69/1068452469.db2.gz DKGRQZKSFJUFNW-UHFFFAOYSA-N -1 3 452.748 4.945 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)/C=C(\C)c3ccco3)c2)cc1 ZINC001463581636 1068454543 /nfs/dbraw/zinc/45/45/43/1068454543.db2.gz JNZCYUZYEZTNAM-JQIJEIRASA-N -1 3 456.520 4.530 20 0 JJADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CNC(=O)OC(C)(C)C)C2CCCC2)c1Cl ZINC001463617668 1068468718 /nfs/dbraw/zinc/46/87/18/1068468718.db2.gz LDMXYPYXWRTWOK-OAHLLOKOSA-N -1 3 451.416 4.664 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H](C)CC(=O)c3ccccc3F)cc2)cc1 ZINC001463636561 1068477009 /nfs/dbraw/zinc/47/70/09/1068477009.db2.gz VRGMUJDVSPIZPV-QGZVFWFLSA-N -1 3 454.523 4.783 20 0 JJADHM COC1(C[N-]S(=O)(=O)c2sc(C)cc2Br)CCC(c2ccccc2)CC1 ZINC001463663363 1068487075 /nfs/dbraw/zinc/48/70/75/1068487075.db2.gz APDSHBJQYKKKCB-UHFFFAOYSA-N -1 3 458.443 4.840 20 0 JJADHM Cc1nc(S(=O)(=O)[N-][C@H](C)c2ccc(N3CCCOC3=O)cc2)c(-c2ccccc2)s1 ZINC001463773934 1068520550 /nfs/dbraw/zinc/52/05/50/1068520550.db2.gz IJAUNLTZEPCIAU-OAHLLOKOSA-N -1 3 457.577 4.505 20 0 JJADHM COc1ccc([C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Br)c2ccco2)cc1 ZINC001463892405 1068557088 /nfs/dbraw/zinc/55/70/88/1068557088.db2.gz BUKUPSIVEGLORI-SFHVURJKSA-N -1 3 456.745 4.772 20 0 JJADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c(Cl)c1 ZINC001463895514 1068558273 /nfs/dbraw/zinc/55/82/73/1068558273.db2.gz DPENPLAOUMSOAI-UHFFFAOYSA-N -1 3 458.927 4.608 20 0 JJADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CC=C(c2ccc(O)cc2)CC1 ZINC001463995774 1068583596 /nfs/dbraw/zinc/58/35/96/1068583596.db2.gz IMKYWVOUNJXCES-UHFFFAOYSA-N -1 3 459.727 4.579 20 0 JJADHM Cc1ccc2nc(COc3ccccc3C(=O)Nc3ccc(Br)cc3[O-])cn2c1 ZINC001464135715 1068629235 /nfs/dbraw/zinc/62/92/35/1068629235.db2.gz JFKFERNHLLNBDZ-UHFFFAOYSA-N -1 3 452.308 4.942 20 0 JJADHM CCOC(=O)c1ccn(-c2cccc(NC(=O)c3cc(OCc4ccccc4)ccc3[O-])c2)n1 ZINC001464175896 1068643666 /nfs/dbraw/zinc/64/36/66/1068643666.db2.gz QRLCUDDXCIAUEG-UHFFFAOYSA-N -1 3 457.486 4.586 20 0 JJADHM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cc(Cl)ccc1Br ZINC001464265633 1068681373 /nfs/dbraw/zinc/68/13/73/1068681373.db2.gz RWLUQWGRSNMPTR-ZBFHGGJFSA-N -1 3 451.169 4.564 20 0 JJADHM CC(C)c1ccc2c(c1)CCCN2C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001464284207 1068690678 /nfs/dbraw/zinc/69/06/78/1068690678.db2.gz OHJXHKLAUWCISP-UHFFFAOYSA-N -1 3 455.407 4.765 20 0 JJADHM O=S(=O)([N-]CC1(c2ccc(Br)cc2)CC1)c1c2ncsc2ccc1Cl ZINC001464448752 1068749665 /nfs/dbraw/zinc/74/96/65/1068749665.db2.gz CLXGKOSEUYXLLN-UHFFFAOYSA-N -1 3 457.802 4.722 20 0 JJADHM COc1ccc([C@@H](NC(=O)c2cc(NC(C)=O)ccc2[O-])c2ccc(C(F)(F)F)cc2)cc1 ZINC001546148870 1068833539 /nfs/dbraw/zinc/83/35/39/1068833539.db2.gz JGLOQWXUUJTSRN-QFIPXVFZSA-N -1 3 458.436 4.897 20 0 JJADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000009514728 555305398 /nfs/dbraw/zinc/30/53/98/555305398.db2.gz SIRJOZGLAWNJBB-QHCPKHFHSA-N -1 3 496.560 4.765 20 0 JJADHM CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001164658974 719352130 /nfs/dbraw/zinc/35/21/30/719352130.db2.gz NZNYNIKWHIGKHS-UHFFFAOYSA-N -1 3 491.011 4.658 20 0 JJADHM O=C([N-]c1c2nsnc2ccc1Cl)c1nn(-c2ccc(F)cc2)cc1Br ZINC001435251930 1064628533 /nfs/dbraw/zinc/62/85/33/1064628533.db2.gz IGMNSNLAOYZEMO-UHFFFAOYSA-N -1 3 452.696 4.684 20 0 JJADHM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1cn2c(Br)cnc2s1 ZINC001435343488 1064712369 /nfs/dbraw/zinc/71/23/69/1064712369.db2.gz RQGPIQMLRJFYTD-UHFFFAOYSA-N -1 3 454.762 4.506 20 0 JJADHM CCCc1c(C(=O)[N-]c2nnc(CC(F)(F)F)s2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001435551705 1064825482 /nfs/dbraw/zinc/82/54/82/1064825482.db2.gz VWEIZMBRUMKMHX-UHFFFAOYSA-N -1 3 452.506 4.726 20 0 JJADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2OCC2CCC2)ccc1F ZINC001435915334 1065061826 /nfs/dbraw/zinc/06/18/26/1065061826.db2.gz PQXXHFOUWBTSKJ-UHFFFAOYSA-N -1 3 454.951 4.597 20 0 JJADHM CC[C@@H]1CCc2c(sc([N-]C(=O)c3cc(-c4ccn(C)n4)on3)c2C(=O)OC(C)(C)C)C1 ZINC001435951473 1065078601 /nfs/dbraw/zinc/07/86/01/1065078601.db2.gz OPAFYZKDNUFXGH-CYBMUJFWSA-N -1 3 456.568 4.859 20 0 JJADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)/C(C)=C\C3CCC(C)CC3)c2)cc1 ZINC001360284505 1065123607 /nfs/dbraw/zinc/12/36/07/1065123607.db2.gz BTVRVIXFWDYZFJ-CYVLTUHYSA-N -1 3 456.608 4.885 20 0 JJADHM C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001436650311 1065417348 /nfs/dbraw/zinc/41/73/48/1065417348.db2.gz XEVJNKVHEMHQEH-LLVKDONJSA-N -1 3 458.906 4.575 20 0 JJADHM C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001436650311 1065417362 /nfs/dbraw/zinc/41/73/62/1065417362.db2.gz XEVJNKVHEMHQEH-LLVKDONJSA-N -1 3 458.906 4.575 20 0 JJADHM O=C(NC[C@H]1CCC[C@@H]1C1CC1)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC001436741204 1065434666 /nfs/dbraw/zinc/43/46/66/1065434666.db2.gz GIRBTBPNDNZWFE-NVXWUHKLSA-N -1 3 450.963 4.836 20 0 JJADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)[C@@H]3CC[C@@H](c4ccccc4)C3)c2)cc1 ZINC001360517460 1065480830 /nfs/dbraw/zinc/48/08/30/1065480830.db2.gz GPQPDNFVYGUMOW-FGZHOGPDSA-N -1 3 464.587 4.696 20 0 JJADHM CCOC1CC2(C[C@@H]2[N-]C(=O)C(F)(F)c2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC001439117734 1065789662 /nfs/dbraw/zinc/78/96/62/1065789662.db2.gz QCFRZVNWIDEAFF-IQYSWEBNSA-N -1 3 458.221 4.513 20 0 JJADHM CCOC1CC2(C[C@H]2[N-]C(=O)C(F)(F)c2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC001439117739 1065789743 /nfs/dbraw/zinc/78/97/43/1065789743.db2.gz QCFRZVNWIDEAFF-VROQLPPWSA-N -1 3 458.221 4.513 20 0 JJADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cnn(-c4cccc(Cl)c4)c3C(C)C)nc21 ZINC001439994982 1065900592 /nfs/dbraw/zinc/90/05/92/1065900592.db2.gz CPSHOBQZPOENFR-UHFFFAOYSA-N -1 3 451.914 4.954 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3coc4cc(O)ccc34)ccc2C)cc1 ZINC001440569758 1065951322 /nfs/dbraw/zinc/95/13/22/1065951322.db2.gz XAZXIVBTARMHMA-UHFFFAOYSA-N -1 3 452.488 4.509 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3c(C)cc(C)nc3C)ccc2C)cc1 ZINC001440598753 1065953649 /nfs/dbraw/zinc/95/36/49/1065953649.db2.gz TWBJROYBAIKMLS-UHFFFAOYSA-N -1 3 453.564 4.767 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc4c(c3)CCC4)ccc2C)cc1 ZINC001440599455 1065953859 /nfs/dbraw/zinc/95/38/59/1065953859.db2.gz YHRHONYIMGTLPF-UHFFFAOYSA-N -1 3 450.560 4.936 20 0 JJADHM Cc1cc(C)n(-c2ccc(Cl)c(C(=O)[N-]c3nnc(C(C)(C)c4ccccc4)s3)n2)n1 ZINC001441114549 1066008312 /nfs/dbraw/zinc/00/83/12/1066008312.db2.gz LEVLTGPTTJRQDN-UHFFFAOYSA-N -1 3 452.971 4.967 20 0 JJADHM Cc1cc(C)n(-c2cccc(NC(=O)C[C@H](NC(=O)c3ccc([O-])cc3)c3ccccc3)c2)n1 ZINC001441305371 1066024271 /nfs/dbraw/zinc/02/42/71/1066024271.db2.gz FJKQCDHZXCZYGF-VWLOTQADSA-N -1 3 454.530 4.695 20 0 JJADHM CC(C)c1ccc(OCCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC001441431457 1066041293 /nfs/dbraw/zinc/04/12/93/1066041293.db2.gz ZFURSZMKSKLNFG-UHFFFAOYSA-N -1 3 456.539 4.559 20 0 JJADHM O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC001441810253 1066071673 /nfs/dbraw/zinc/07/16/73/1066071673.db2.gz LPWILZBXDRMIFD-UHFFFAOYSA-N -1 3 451.910 4.724 20 0 JJADHM Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC001545944953 1066077185 /nfs/dbraw/zinc/07/71/85/1066077185.db2.gz AGMNCWWCEXZBHN-UHFFFAOYSA-N -1 3 450.520 4.610 20 0 JJADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1CCOc2c(Cl)cccc21 ZINC001442247489 1066107799 /nfs/dbraw/zinc/10/77/99/1066107799.db2.gz PEAUWCPKIHMOEV-FCHUYYIVSA-N -1 3 450.922 4.547 20 0 JJADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CCOc2c(Cl)cccc21 ZINC001442247502 1066107858 /nfs/dbraw/zinc/10/78/58/1066107858.db2.gz PEAUWCPKIHMOEV-YADHBBJMSA-N -1 3 450.922 4.547 20 0 JJADHM COCCC1CCN(C(=O)c2ccc(C)c([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c2)CC1 ZINC001453975863 1066228284 /nfs/dbraw/zinc/22/82/84/1066228284.db2.gz UTLZESPACGRALJ-UHFFFAOYSA-N -1 3 458.624 4.610 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCCCc4ccccc43)c2)cc1 ZINC001443207191 1066279608 /nfs/dbraw/zinc/27/96/08/1066279608.db2.gz TWGCKTNTJKKJTP-UHFFFAOYSA-N -1 3 450.560 4.788 20 0 JJADHM O=C(NCc1ccc(OCCSc2ccc(Cl)cc2)cc1)c1cc2c(cc1[O-])OCO2 ZINC001443311055 1066294533 /nfs/dbraw/zinc/29/45/33/1066294533.db2.gz MTRIXSOQMYYLCC-UHFFFAOYSA-N -1 3 457.935 4.875 20 0 JJADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CCC[C@H](Cc2ccccc2)C1 ZINC001443342337 1066297111 /nfs/dbraw/zinc/29/71/11/1066297111.db2.gz KDVNGULOVVEZPT-HXUWFJFHSA-N -1 3 452.551 4.721 20 0 JJADHM O=C(NCC1(Sc2ccccc2)CC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001443388076 1066304724 /nfs/dbraw/zinc/30/47/24/1066304724.db2.gz ZZIJHVMOJVHIKX-UHFFFAOYSA-N -1 3 456.564 4.681 20 0 JJADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)c(Cl)cc1Cl ZINC001454705652 1066322457 /nfs/dbraw/zinc/32/24/57/1066322457.db2.gz CTLMOPIBJLXZIY-LMMKCTJWSA-N -1 3 481.445 4.803 20 0 JJADHM C[C@H](Cc1cncc2ccccc21)C(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001454940211 1066344625 /nfs/dbraw/zinc/34/46/25/1066344625.db2.gz ZVDHJMVEIQPIGA-AEFFLSMTSA-N -1 3 455.480 4.612 20 0 JJADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@@H](COC)C3)c2)cc1 ZINC001443909340 1066384329 /nfs/dbraw/zinc/38/43/29/1066384329.db2.gz PCMLTNNWSDBVKZ-OAQYLSRUSA-N -1 3 458.624 4.637 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CC[C@H]4CCC[C@H]4C3)ccc2C)cc1 ZINC001444037410 1066397113 /nfs/dbraw/zinc/39/71/13/1066397113.db2.gz UIJHXXWVFVDBIT-XQBPLPMBSA-N -1 3 456.608 4.893 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CC[C@@H]4CCC[C@H]4C3)ccc2C)cc1 ZINC001444037395 1066397315 /nfs/dbraw/zinc/39/73/15/1066397315.db2.gz UIJHXXWVFVDBIT-CNNODRBYSA-N -1 3 456.608 4.893 20 0 JJADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@@H](C)O[C@H](CC)C3)c2)cc1 ZINC001444155301 1066420303 /nfs/dbraw/zinc/42/03/03/1066420303.db2.gz WTHMUERVNBUZRG-DENIHFKCSA-N -1 3 458.624 4.778 20 0 JJADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@@H](C)O[C@@H](CC)C3)c2)cc1 ZINC001444155309 1066420335 /nfs/dbraw/zinc/42/03/35/1066420335.db2.gz WTHMUERVNBUZRG-KNQAVFIVSA-N -1 3 458.624 4.778 20 0 JJADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC3(O)CCCCC3)c2)cc1 ZINC001444522850 1066472721 /nfs/dbraw/zinc/47/27/21/1066472721.db2.gz UZAQYFUVBRANHG-UHFFFAOYSA-N -1 3 458.624 4.563 20 0 JJADHM CN(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl)c1ccc(Cl)cn1 ZINC001456045791 1066490138 /nfs/dbraw/zinc/49/01/38/1066490138.db2.gz VVBQJJQYCKGKIC-UHFFFAOYSA-N -1 3 454.310 4.605 20 0 JJADHM CC(C)(C)Oc1ccc(CNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)c(C(F)(F)F)c1 ZINC001444821234 1066510075 /nfs/dbraw/zinc/51/00/75/1066510075.db2.gz BECYCRNLERKGHE-UHFFFAOYSA-N -1 3 454.395 4.932 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCc3ccc(C)c(F)c3)c2)cc1 ZINC001456138017 1066518665 /nfs/dbraw/zinc/51/86/65/1066518665.db2.gz LOGANZBQOFDRAB-UHFFFAOYSA-N -1 3 456.539 4.572 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3C[C@@H]3C3CCCCC3)ccc2C)cc1 ZINC001444972456 1066524997 /nfs/dbraw/zinc/52/49/97/1066524997.db2.gz FWQQJYHJGYUZHN-DHIUTWEWSA-N -1 3 456.608 4.893 20 0 JJADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N3CC[C@@H](C(F)(F)F)C3)ccc2C)c(C)c1 ZINC001456277209 1066553894 /nfs/dbraw/zinc/55/38/94/1066553894.db2.gz JEUPAQXCPBGNRP-GOSISDBHSA-N -1 3 454.514 4.745 20 0 JJADHM Cc1cccc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c1OCc1ccccc1 ZINC001456299835 1066557997 /nfs/dbraw/zinc/55/79/97/1066557997.db2.gz QQLASIHBBVEODK-UHFFFAOYSA-N -1 3 454.530 4.599 20 0 JJADHM Cc1cnc([C@@H](C)NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c2)s1 ZINC001445390519 1066566187 /nfs/dbraw/zinc/56/61/87/1066566187.db2.gz JUSARCIRZCCXTC-GOSISDBHSA-N -1 3 457.621 4.977 20 0 JJADHM CC(C)(C)OC(=O)NCc1nc2ccc(NC(=O)c3ccc(C(F)(F)F)c([O-])c3)cc2[nH]1 ZINC001456368830 1066572593 /nfs/dbraw/zinc/57/25/93/1066572593.db2.gz BIVKATYVCCTBKV-UHFFFAOYSA-N -1 3 450.417 4.564 20 0 JJADHM O=C(/C(=C/c1cccc(Cl)c1)c1cccs1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001445649761 1066597822 /nfs/dbraw/zinc/59/78/22/1066597822.db2.gz XWVDLRJVVWAVKV-CAPFRKAQSA-N -1 3 452.963 4.632 20 0 JJADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3CCOC4(CCCCC4)C3)c2)cc1 ZINC001446144347 1066666027 /nfs/dbraw/zinc/66/60/27/1066666027.db2.gz QNSMVSNOGZWWDL-NRFANRHFSA-N -1 3 456.608 4.716 20 0 JJADHM CC(C)(C)OC(=O)N[C@](C)(C(=O)Nc1cccc([O-])c1F)c1ccc(Br)cc1 ZINC001446238292 1066677227 /nfs/dbraw/zinc/67/72/27/1066677227.db2.gz BHVCOFISGONRSJ-FQEVSTJZSA-N -1 3 453.308 4.672 20 0 JJADHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccccc1O2 ZINC001456885497 1066714270 /nfs/dbraw/zinc/71/42/70/1066714270.db2.gz KXSUVCZVJSNVJY-DVECYGJZSA-N -1 3 458.942 4.679 20 0 JJADHM CCC(CC)(CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl)SC ZINC001457020332 1066745607 /nfs/dbraw/zinc/74/56/07/1066745607.db2.gz PGVMBZZYKVXGSF-UHFFFAOYSA-N -1 3 459.008 4.932 20 0 JJADHM CC(C)(C)n1cc(Br)c(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)n1 ZINC001457111152 1066764361 /nfs/dbraw/zinc/76/43/61/1066764361.db2.gz HGQHVLXMXLAAMF-UHFFFAOYSA-N -1 3 454.781 4.749 20 0 JJADHM Cc1ccc(CO[C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC001457569404 1066865810 /nfs/dbraw/zinc/86/58/10/1066865810.db2.gz MYGXOFAOTORGGE-GOSISDBHSA-N -1 3 456.539 4.787 20 0 JJADHM COc1ccc2[nH]c(C(=O)Nc3ccc(C)c(S(=O)(=O)[N-]c4ccccc4F)c3)cc2c1 ZINC001457578446 1066869808 /nfs/dbraw/zinc/86/98/08/1066869808.db2.gz TXHDBHOPUFOLPW-UHFFFAOYSA-N -1 3 453.495 4.677 20 0 JJADHM Cc1ccc(SC[C@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1 ZINC001447865399 1066871651 /nfs/dbraw/zinc/87/16/51/1066871651.db2.gz ILGMPNOFUNHQJP-KRWDZBQOSA-N -1 3 458.580 4.846 20 0 JJADHM CC1(C)Cc2cc(C(=O)NCc3c(F)cccc3[N-]S(C)(=O)=O)sc2-c2ccccc21 ZINC001457622857 1066883894 /nfs/dbraw/zinc/88/38/94/1066883894.db2.gz TVMZCLKBBGTCNP-UHFFFAOYSA-N -1 3 458.580 4.689 20 0 JJADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(-c3nc4c(cccc4F)[nH]3)cc2)c(Cl)c1 ZINC001457635632 1066887881 /nfs/dbraw/zinc/88/78/81/1066887881.db2.gz YDCAGHCOCWIPQO-UHFFFAOYSA-N -1 3 458.902 4.646 20 0 JJADHM Cc1oc2ccc(NC(=O)c3c[n-]c4ccc(I)cc4c3=O)cc2c1C ZINC001447999294 1066889400 /nfs/dbraw/zinc/88/94/00/1066889400.db2.gz WCXZXDLRTLLYPM-UHFFFAOYSA-N -1 3 458.255 4.748 20 0 JJADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1oc2ccccc2c1CSc1ccccc1F ZINC001448134157 1066903948 /nfs/dbraw/zinc/90/39/48/1066903948.db2.gz MDQPAYLPQAPQRB-UHFFFAOYSA-N -1 3 450.417 4.931 20 0 JJADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC001457800508 1066923243 /nfs/dbraw/zinc/92/32/43/1066923243.db2.gz CLBWYZXWFAQGHE-CVEARBPZSA-N -1 3 458.493 4.535 20 0 JJADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCCCC2)c(C)o1 ZINC001448404243 1066924186 /nfs/dbraw/zinc/92/41/86/1066924186.db2.gz CNEDNUFZCSRMHX-IBGZPJMESA-N -1 3 458.502 4.566 20 0 JJADHM COCCCCN(C)C(=O)c1sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c2c1C ZINC001457858685 1066932844 /nfs/dbraw/zinc/93/28/44/1066932844.db2.gz FAHHLZNBGPJQHM-UHFFFAOYSA-N -1 3 459.637 4.701 20 0 JJADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)c(Cl)cc1Cl ZINC001448669199 1066947594 /nfs/dbraw/zinc/94/75/94/1066947594.db2.gz LUPLAGQXLMIMAR-WKILWMFISA-N -1 3 455.407 4.604 20 0 JJADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(-c3ccc(F)cc3)cc2)ccc1F ZINC001458056532 1066962986 /nfs/dbraw/zinc/96/29/86/1066962986.db2.gz OXGUKUOQPRKLFY-MRXNPFEDSA-N -1 3 458.530 4.810 20 0 JJADHM O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001449030676 1066978350 /nfs/dbraw/zinc/97/83/50/1066978350.db2.gz SVKANEMFUKUYEK-GFCCVEGCSA-N -1 3 452.288 4.512 20 0 JJADHM Cc1ncc(CC[N-]C(=O)C(F)(F)c2ccc(OC(F)(F)F)c(Br)c2)s1 ZINC001458133674 1066984652 /nfs/dbraw/zinc/98/46/52/1066984652.db2.gz METATMKITIXBEB-UHFFFAOYSA-N -1 3 459.234 4.563 20 0 JJADHM COC(=O)c1cccc2[n-]c(NC(=O)c3sc(COc4ccc(Cl)cc4)nc3C)nc21 ZINC001458172302 1066995824 /nfs/dbraw/zinc/99/58/24/1066995824.db2.gz PAUHVLKONKAEAE-UHFFFAOYSA-N -1 3 456.911 4.599 20 0 JJADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)s1 ZINC001449396031 1067006402 /nfs/dbraw/zinc/00/64/02/1067006402.db2.gz IQEBFSJSDQXGSX-UHFFFAOYSA-N -1 3 456.540 4.920 20 0 JJADHM CO[C@@H]1CCC[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1 ZINC001449874666 1067033690 /nfs/dbraw/zinc/03/36/90/1067033690.db2.gz MHVVZPXIOCXYGN-NVXWUHKLSA-N -1 3 477.797 4.745 20 0 JJADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCc4ccc(F)c(F)c4C3)c2)cc1 ZINC001545768851 1067055045 /nfs/dbraw/zinc/05/50/45/1067055045.db2.gz IEJMINZCGGWKRY-UHFFFAOYSA-N -1 3 456.514 4.581 20 0 JJADHM O=C(NCCc1cc2ccccc2s1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001450240238 1067062918 /nfs/dbraw/zinc/06/29/18/1067062918.db2.gz URGDLTSGQOJXKT-UHFFFAOYSA-N -1 3 454.548 4.814 20 0 JJADHM COc1cc2[n-]cc(C(=O)N3CCCCC[C@H]3Cc3ccccc3Cl)c(=O)c2c(OC)c1 ZINC001450400131 1067075859 /nfs/dbraw/zinc/07/58/59/1067075859.db2.gz XNLMPDITYUYUNT-KRWDZBQOSA-N -1 3 454.954 4.826 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(F)c(C)c3)ccc2C)cc1 ZINC001450510958 1067085756 /nfs/dbraw/zinc/08/57/56/1067085756.db2.gz OZMNLOWUVZJQEW-QGZVFWFLSA-N -1 3 456.539 4.743 20 0 JJADHM CC(=O)c1cccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)c1[O-] ZINC001450601522 1067094174 /nfs/dbraw/zinc/09/41/74/1067094174.db2.gz RXWPEGWGXANFQK-KRWDZBQOSA-N -1 3 452.429 4.818 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cc(C4CC4)ccn3)c2)cc1 ZINC001450631274 1067097777 /nfs/dbraw/zinc/09/77/77/1067097777.db2.gz WCYGEPJWLQNJRV-UHFFFAOYSA-N -1 3 451.548 4.719 20 0 JJADHM CCCCOc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccc(C)cc3[O-])n2)cc1 ZINC001452091158 1067206609 /nfs/dbraw/zinc/20/66/09/1067206609.db2.gz ZIQKCEVLQZRGRK-UHFFFAOYSA-N -1 3 453.564 4.762 20 0 JJADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(CC(C)C)[C@@H](C)c1ccccc1Cl ZINC001452413939 1067222460 /nfs/dbraw/zinc/22/24/60/1067222460.db2.gz GAZHABOQXIQIMH-SFHVURJKSA-N -1 3 452.986 4.972 20 0 JJADHM CCc1c[nH]c(SCc2nc(=O)c3c(C)c(C(=O)Nc4ccc(C)cc4C)sc3[n-]2)n1 ZINC001459003804 1067227205 /nfs/dbraw/zinc/22/72/05/1067227205.db2.gz YXCUPTDJRMVFSS-UHFFFAOYSA-N -1 3 453.593 4.740 20 0 JJADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 ZINC001452719706 1067246156 /nfs/dbraw/zinc/24/61/56/1067246156.db2.gz CDGLBHUDWZOAAX-KRWDZBQOSA-N -1 3 452.388 4.928 20 0 JJADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CCCC[C@H]3OC)c2)cc1 ZINC001452871587 1067258718 /nfs/dbraw/zinc/25/87/18/1067258718.db2.gz SZOBCAWJLOBIAM-DNQXCXABSA-N -1 3 458.624 4.826 20 0 JJADHM CC(C)[C@@H](Sc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1)C(=O)NC1CCCCCC1 ZINC001459178071 1067266013 /nfs/dbraw/zinc/26/60/13/1067266013.db2.gz BLEIGJPRQLBTIL-HXUWFJFHSA-N -1 3 453.612 4.536 20 0 JJADHM CC(=O)c1ccc(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1[O-] ZINC001453318511 1067296858 /nfs/dbraw/zinc/29/68/58/1067296858.db2.gz BDUHJWPFWLIUQH-UHFFFAOYSA-N -1 3 451.319 4.729 20 0 JJADHM O=C([N-]c1ncc(C(F)(F)F)cc1Br)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC001459479919 1067335921 /nfs/dbraw/zinc/33/59/21/1067335921.db2.gz OCMRMRYTKVMXDU-UHFFFAOYSA-N -1 3 454.202 4.705 20 0 JJADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccn2)c(Cl)cc1Cl ZINC001460002730 1067522303 /nfs/dbraw/zinc/52/23/03/1067522303.db2.gz PDLCIEWMAFTLHT-SNVBAGLBSA-N -1 3 450.775 4.761 20 0 JJADHM Cc1ccc(Br)cc1CN1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC001460457092 1067637532 /nfs/dbraw/zinc/63/75/32/1067637532.db2.gz CCWAVLKMBBLMEO-RTBURBONSA-N -1 3 455.318 4.794 20 0 JJADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)NC2(C(F)F)CCCC2)c(Cl)cc1Cl ZINC001460619859 1067675199 /nfs/dbraw/zinc/67/51/99/1067675199.db2.gz YQMRROXYNTUCFP-LLVKDONJSA-N -1 3 457.370 4.768 20 0 JJADHM COc1ccc2nc(CNCc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)sc2c1 ZINC001461347988 1067835573 /nfs/dbraw/zinc/83/55/73/1067835573.db2.gz UZVDYRVMCJUDRZ-UHFFFAOYSA-N -1 3 457.552 4.535 20 0 JJADHM O=C(Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1)C1(Cc2ccccc2Cl)CC1 ZINC001461831971 1067943268 /nfs/dbraw/zinc/94/32/68/1067943268.db2.gz QVHLLPQXFXDCBH-UHFFFAOYSA-N -1 3 450.347 4.511 20 0 JJADHM O=C(Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1)C1(Cc2ccccc2Cl)CC1 ZINC001461831971 1067943271 /nfs/dbraw/zinc/94/32/71/1067943271.db2.gz QVHLLPQXFXDCBH-UHFFFAOYSA-N -1 3 450.347 4.511 20 0 JJADHM CC(C)(C)OC(=O)[C@@](C)([N-]C(=O)C(F)(F)c1cccc(Br)c1)c1ccccc1 ZINC001461871802 1067951354 /nfs/dbraw/zinc/95/13/54/1067951354.db2.gz PLSZOBGAOXXMDA-FQEVSTJZSA-N -1 3 454.311 4.914 20 0 JJADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)C(C)(F)F)c(Cl)cc1Cl ZINC001462218745 1068030711 /nfs/dbraw/zinc/03/07/11/1068030711.db2.gz PLBRDEWEXVPQCU-LLVKDONJSA-N -1 3 459.386 4.872 20 0 JJADHM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cccc([O-])c2Br)C[C@H]1c1ccccc1F ZINC001462341500 1068054870 /nfs/dbraw/zinc/05/48/70/1068054870.db2.gz WQLJPUOWGRDVPZ-FUHWJXTLSA-N -1 3 465.363 4.787 20 0 JJADHM Cc1ccc2c(n1)N(C(=O)c1cc(S(=O)(=O)[N-]c3ccccc3F)ccc1Cl)CCC2 ZINC001462597950 1068108880 /nfs/dbraw/zinc/10/88/80/1068108880.db2.gz RNTYZRVLGHMVIA-UHFFFAOYSA-N -1 3 459.930 4.576 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1 ZINC001462728994 1068145893 /nfs/dbraw/zinc/14/58/93/1068145893.db2.gz GUPGOWAMCWRAME-UHFFFAOYSA-N -1 3 459.589 4.797 20 0 JJADHM Cc1cc(Cl)c(S(=O)(=O)[N-]CCOc2ccc3ccccc3c2)c(Br)c1 ZINC001462805768 1068172260 /nfs/dbraw/zinc/17/22/60/1068172260.db2.gz OEYMOQOQPYHGNV-UHFFFAOYSA-N -1 3 454.773 4.921 20 0 JJADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)c1ccsc1 ZINC001462825613 1068178424 /nfs/dbraw/zinc/17/84/24/1068178424.db2.gz HYYCJGMZOAKNET-KRWDZBQOSA-N -1 3 456.058 4.886 20 0 JJADHM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-][C@@H](c2ccc(C(C)(C)C)cc2)C(F)(F)F)c1 ZINC001462888394 1068203833 /nfs/dbraw/zinc/20/38/33/1068203833.db2.gz OXLLTIGUPQGPEG-IBGZPJMESA-N -1 3 456.530 4.658 20 0 JJADHM O=S(=O)([N-]CC1(c2ccc3c(c2)OCO3)CCCCC1)c1ccc(F)cc1C(F)(F)F ZINC001462910037 1068211582 /nfs/dbraw/zinc/21/15/82/1068211582.db2.gz PEOZPJSXRDUKSL-UHFFFAOYSA-N -1 3 459.461 4.754 20 0 JJADHM O=S(=O)([N-]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccc(Cl)c1Cl ZINC001462929551 1068218162 /nfs/dbraw/zinc/21/81/62/1068218162.db2.gz XKGKJBOHMSCZNW-UHFFFAOYSA-N -1 3 450.269 4.676 20 0 JJADHM Cc1nc(S(=O)(=O)[N-]CCc2cc(Br)ccc2F)c(-c2ccccc2)s1 ZINC001462930583 1068218579 /nfs/dbraw/zinc/21/85/79/1068218579.db2.gz QVENIJNQWIGVPE-UHFFFAOYSA-N -1 3 455.374 4.541 20 0 JJADHM CC(C)N(CCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)OC(C)(C)C ZINC001463059993 1068270556 /nfs/dbraw/zinc/27/05/56/1068270556.db2.gz MRLNAVMSPYWKMJ-UHFFFAOYSA-N -1 3 458.930 4.673 20 0 JJADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](c1ccccc1Cl)C(C)C ZINC001463095528 1068284737 /nfs/dbraw/zinc/28/47/37/1068284737.db2.gz WDVCFURXZNMVFB-QGZVFWFLSA-N -1 3 450.757 4.926 20 0 JJADHM O=S(=O)([N-]CCCO[C@@H]1CCCc2ccccc21)c1c(Cl)cccc1Br ZINC001463103677 1068288797 /nfs/dbraw/zinc/28/87/97/1068288797.db2.gz BNMRUERRMMVLJP-GOSISDBHSA-N -1 3 458.805 4.865 20 0 JJADHM Cc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)o1 ZINC001463177849 1068310760 /nfs/dbraw/zinc/31/07/60/1068310760.db2.gz QMAYKECSUSRESS-GFCCVEGCSA-N -1 3 455.399 4.774 20 0 JJADHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)Cc2nc3ccccc3s2)c(Br)c1 ZINC001463267646 1068340181 /nfs/dbraw/zinc/34/01/81/1068340181.db2.gz OVHUBWAXSHDRIA-LLVKDONJSA-N -1 3 459.818 4.930 20 0 JJADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)s1 ZINC001463281562 1068343589 /nfs/dbraw/zinc/34/35/89/1068343589.db2.gz FGTVPMIGDRLMOP-SNVBAGLBSA-N -1 3 456.998 4.660 20 0 JJADHM CC[C@@H](Cc1ccccc1Br)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC001463324647 1068357070 /nfs/dbraw/zinc/35/70/70/1068357070.db2.gz NLZANOZMHWUTMD-INIZCTEOSA-N -1 3 451.411 4.872 20 0 JJADHM CO[C@@H](c1ccc(Br)cc1)[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001463405112 1068386112 /nfs/dbraw/zinc/38/61/12/1068386112.db2.gz ADSOWZOAVZKRMQ-ZUZCIYMTSA-N -1 3 453.185 4.810 20 0 JJADHM CN1CC[C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC001463434886 1068396419 /nfs/dbraw/zinc/39/64/19/1068396419.db2.gz QOTRURXYNZDZEG-KZULUSFZSA-N -1 3 451.778 4.757 20 0 JJADHM COc1cccc(Cl)c1C[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC001463510413 1068423929 /nfs/dbraw/zinc/42/39/29/1068423929.db2.gz DLQHLWJTFUHJPS-UHFFFAOYSA-N -1 3 459.576 4.896 20 0 JJADHM CC(C)N1CCC[C@H]1C(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC001463561591 1068444262 /nfs/dbraw/zinc/44/42/62/1068444262.db2.gz QIYSDEWSKNIMGA-SFHVURJKSA-N -1 3 456.395 4.606 20 0 JJADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(Oc3cccc4ccccc43)cc2)s1 ZINC001463592931 1068459591 /nfs/dbraw/zinc/45/95/91/1068459591.db2.gz PMIIKXIZDOAKFJ-UHFFFAOYSA-N -1 3 453.541 4.959 20 0 JJADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC001463651141 1068480797 /nfs/dbraw/zinc/48/07/97/1068480797.db2.gz NTLPIXODWDFFOV-JLCFBVMHSA-N -1 3 454.564 4.632 20 0 JJADHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)n[nH]1 ZINC001463653493 1068482335 /nfs/dbraw/zinc/48/23/35/1068482335.db2.gz XYSJUJWKWBLYNF-MNOVXSKESA-N -1 3 459.519 4.500 20 0 JJADHM CC[C@@H](C)c1nnc([C@H](C)[N-]S(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)[nH]1 ZINC001463653493 1068482339 /nfs/dbraw/zinc/48/23/39/1068482339.db2.gz XYSJUJWKWBLYNF-MNOVXSKESA-N -1 3 459.519 4.500 20 0 JJADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC001463656585 1068484393 /nfs/dbraw/zinc/48/43/93/1068484393.db2.gz YPCWOOBNIJAVTA-NSHDSACASA-N -1 3 459.467 4.626 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(C4CC4)nc3C)ccc2C)cc1 ZINC001463667463 1068488999 /nfs/dbraw/zinc/48/89/99/1068488999.db2.gz VGRUXVXSEPTHAL-UHFFFAOYSA-N -1 3 451.548 4.638 20 0 JJADHM O=S(=O)([N-]C[C@@H](OCC1CC1)c1ccc(Cl)cc1)c1ccc(Br)s1 ZINC001463692186 1068495509 /nfs/dbraw/zinc/49/55/09/1068495509.db2.gz ONYOMXXUURCLJM-CQSZACIVSA-N -1 3 450.807 4.610 20 0 JJADHM COc1ccc(NC(=O)/C(C)=C\c2ccncc2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC001463700097 1068498567 /nfs/dbraw/zinc/49/85/67/1068498567.db2.gz PAYDZSAZEBPKOZ-SQFISAMPSA-N -1 3 457.939 4.586 20 0 JJADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H]1c1ccccc1 ZINC001463770199 1068518678 /nfs/dbraw/zinc/51/86/78/1068518678.db2.gz YGMLWOOOBLOUTE-GDBMZVCRSA-N -1 3 458.805 4.973 20 0 JJADHM Cc1nc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](O)c2ccccc2)c(-c2ccccc2)s1 ZINC001463812413 1068534065 /nfs/dbraw/zinc/53/40/65/1068534065.db2.gz QZDBGLOVRDHITB-YADHBBJMSA-N -1 3 450.585 4.872 20 0 JJADHM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(CN(C)C)c2)ccc1Cl ZINC001463868477 1068551478 /nfs/dbraw/zinc/55/14/78/1068551478.db2.gz FBZOJSWGNQCINC-UHFFFAOYSA-N -1 3 457.983 4.763 20 0 JJADHM CC(=O)Nc1ccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1Cl ZINC001463887902 1068556190 /nfs/dbraw/zinc/55/61/90/1068556190.db2.gz OSXZLSMISXHCFU-JOCHJYFZSA-N -1 3 451.910 4.504 20 0 JJADHM CC[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC001464052267 1068601098 /nfs/dbraw/zinc/60/10/98/1068601098.db2.gz AJDRTYSEPZAZTI-CQSZACIVSA-N -1 3 450.757 4.550 20 0 JJADHM O=S(=O)([N-]CCc1c[nH]c2cc(F)c(Cl)cc12)c1ccc(C(F)(F)F)nc1Cl ZINC001464198322 1068652798 /nfs/dbraw/zinc/65/27/98/1068652798.db2.gz RGFNQUZNNNOGBQ-UHFFFAOYSA-N -1 3 456.248 4.549 20 0 JJADHM O=S(=O)([N-]CCc1ccccc1OCc1ccccc1)c1ccc(Br)s1 ZINC001464205340 1068656034 /nfs/dbraw/zinc/65/60/34/1068656034.db2.gz GJLBAGDBZQFPBU-UHFFFAOYSA-N -1 3 452.395 4.611 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-][C@H]2c3ccccc3N(C(=O)OC(C)(C)C)C2(C)C)c(F)c1F ZINC001464346642 1068714078 /nfs/dbraw/zinc/71/40/78/1068714078.db2.gz DKQHBKMWSYLBHB-IBGZPJMESA-N -1 3 452.523 4.827 20 0 JJADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)s1 ZINC001464470191 1068758284 /nfs/dbraw/zinc/75/82/84/1068758284.db2.gz IOJNRYBERHSFNJ-ZDUSSCGKSA-N -1 3 453.948 4.954 20 0 JJADHM CC(=O)Nc1ccc(Cl)cc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001464512385 1068769305 /nfs/dbraw/zinc/76/93/05/1068769305.db2.gz MPVKZVMGHJTTQE-NRFANRHFSA-N -1 3 451.910 4.504 20 0 JJADHM Cn1cnc2c1cc(C1CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC1)nc2-c1cccnc1 ZINC001164702160 719881580 /nfs/dbraw/zinc/88/15/80/719881580.db2.gz OOCJBTZJMYTRRW-UHFFFAOYSA-N -1 3 487.967 4.691 20 0 JJADHM O=C([N-]c1nc(Cc2ccccc2)ns1)c1cnc(Nc2ccccc2)nc1C(F)(F)F ZINC001435097922 1064512791 /nfs/dbraw/zinc/51/27/91/1064512791.db2.gz NEZMHOISMSRMBN-UHFFFAOYSA-N -1 3 456.453 4.934 20 0 JJADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)CCSC)c(Cl)cc1Cl ZINC001435221195 1064601408 /nfs/dbraw/zinc/60/14/08/1064601408.db2.gz MXCNEQWGNRHWDO-OLZOCXBDSA-N -1 3 455.473 4.674 20 0 JJADHM O=C([N-]c1nnc(CC2CCCCC2)s1)c1cc(Br)cnc1OCC1CC1 ZINC001360184603 1065071155 /nfs/dbraw/zinc/07/11/55/1065071155.db2.gz ARRDLTBWULDVFY-UHFFFAOYSA-N -1 3 451.390 4.860 20 0 JJADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)[C@@H](c3ccccc3)C(C)C)c2)cc1 ZINC001360284938 1065124278 /nfs/dbraw/zinc/12/42/78/1065124278.db2.gz PPXRDRFMWXSUFN-XMMPIXPASA-N -1 3 452.576 4.552 20 0 JJADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3c(Cl)ccc(Cl)c3Cl)c2)[n-]1 ZINC001436100690 1065179895 /nfs/dbraw/zinc/17/98/95/1065179895.db2.gz RVONLNYNGWAQRJ-UHFFFAOYSA-N -1 3 453.713 4.539 20 0 JJADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3c(Cl)ccc(Cl)c3Cl)c2)n[n-]1 ZINC001436100690 1065179904 /nfs/dbraw/zinc/17/99/04/1065179904.db2.gz RVONLNYNGWAQRJ-UHFFFAOYSA-N -1 3 453.713 4.539 20 0 JJADHM O=C([N-]C[C@H]1CCCN(C(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)C1)C(F)(F)F ZINC001436556211 1065360662 /nfs/dbraw/zinc/36/06/62/1065360662.db2.gz CTWMXLBFDFBHNM-MRXNPFEDSA-N -1 3 457.452 4.539 20 0 JJADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3c2OCC3)c(Cl)cc1Cl ZINC001437741238 1065598316 /nfs/dbraw/zinc/59/83/16/1065598316.db2.gz ZLVRFPINEPHBIX-LBPRGKRZSA-N -1 3 457.379 4.648 20 0 JJADHM CC(C)Oc1ccc(C[N-]C(=O)C(F)(F)n2cc(-c3ccccc3)nn2)c(C(F)(F)F)c1 ZINC001360625027 1065669002 /nfs/dbraw/zinc/66/90/02/1065669002.db2.gz IJTVKKJLDDPCKM-UHFFFAOYSA-N -1 3 454.399 4.617 20 0 JJADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1Cc2ccccc2C(F)(F)C1 ZINC001545914465 1065701600 /nfs/dbraw/zinc/70/16/00/1065701600.db2.gz LWZOFXQXCIGFIH-UHFFFAOYSA-N -1 3 453.670 4.692 20 0 JJADHM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[N-]c1nnc(C(F)(F)C(F)(F)F)s1 ZINC001438262899 1065704264 /nfs/dbraw/zinc/70/42/64/1065704264.db2.gz CNCDKSLPAGDIHJ-UHFFFAOYSA-N -1 3 452.405 4.939 20 0 JJADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001439271771 1065808155 /nfs/dbraw/zinc/80/81/55/1065808155.db2.gz FWYQLPROCHQXQO-IAGOWNOFSA-N -1 3 462.846 4.620 20 0 JJADHM CCOC(=O)c1cccc2[n-]c(NC(=O)COc3ccc(C4SCCCS4)cc3)nc21 ZINC001439994748 1065900627 /nfs/dbraw/zinc/90/06/27/1065900627.db2.gz AAXNNGDBLDDPPS-UHFFFAOYSA-N -1 3 457.577 4.626 20 0 JJADHM COC(=O)c1cc2nc(NC(=O)[C@@H](C)Cc3cccc(Cl)c3)[n-]c2c(Br)c1 ZINC001440025979 1065904008 /nfs/dbraw/zinc/90/40/08/1065904008.db2.gz CXAMFUDPPUTIBR-JTQLQIEISA-N -1 3 450.720 4.583 20 0 JJADHM COC(=O)c1cc2nc(NC(=O)C3(c4ccccc4C)CCCC3)[n-]c2c(Br)c1 ZINC001440031276 1065905150 /nfs/dbraw/zinc/90/51/50/1065905150.db2.gz ZHPYZXDOGHALTI-UHFFFAOYSA-N -1 3 456.340 4.871 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H](c3cccc(Cl)c3)N(C)C)cc2)cc1 ZINC001440520686 1065946616 /nfs/dbraw/zinc/94/66/16/1065946616.db2.gz QEQAWIJOMAPUAX-JOCHJYFZSA-N -1 3 457.983 4.691 20 0 JJADHM C[C@@H]1C(=O)CC[C@H]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC001440563843 1065950053 /nfs/dbraw/zinc/95/00/53/1065950053.db2.gz JFXBKCUGIHPDNK-STQMWFEESA-N -1 3 455.363 4.738 20 0 JJADHM Cc1c(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cnn1-c1ccccc1F ZINC001545935432 1065974450 /nfs/dbraw/zinc/97/44/50/1065974450.db2.gz IJVPWTYVTCQEMZ-QFIPXVFZSA-N -1 3 458.493 4.525 20 0 JJADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)c1 ZINC001440895057 1065990845 /nfs/dbraw/zinc/99/08/45/1065990845.db2.gz OOJOBFBRKBNJHP-QFIPXVFZSA-N -1 3 455.514 4.569 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](c3ccccc3)C3CC3)ccc2C)cc1 ZINC001441014379 1066000543 /nfs/dbraw/zinc/00/05/43/1066000543.db2.gz UPKCGEIHCFODSD-XMMPIXPASA-N -1 3 450.560 4.686 20 0 JJADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC001441099574 1066007384 /nfs/dbraw/zinc/00/73/84/1066007384.db2.gz FECDDMSTJDYQNO-UHFFFAOYSA-N -1 3 457.393 4.841 20 0 JJADHM Cc1cc(C)n(-c2cccc(NC(=O)C[C@@H](NC(=O)c3ccc([O-])cc3)c3ccccc3)c2)n1 ZINC001441305367 1066024327 /nfs/dbraw/zinc/02/43/27/1066024327.db2.gz FJKQCDHZXCZYGF-RUZDIDTESA-N -1 3 454.530 4.695 20 0 JJADHM O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001441357402 1066033172 /nfs/dbraw/zinc/03/31/72/1066033172.db2.gz QXEAGVCEQKPSHW-JOCHJYFZSA-N -1 3 451.295 4.949 20 0 JJADHM C[C@@H]1CN(c2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3[O-])cc2F)C[C@@H](C)O1 ZINC001441558063 1066050671 /nfs/dbraw/zinc/05/06/71/1066050671.db2.gz JSBOBLUBGNVSSW-QZTJIDSGSA-N -1 3 450.510 4.976 20 0 JJADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC001442188131 1066100593 /nfs/dbraw/zinc/10/05/93/1066100593.db2.gz VMGJILUMSKNOHW-LJQANCHMSA-N -1 3 455.407 4.653 20 0 JJADHM Cc1nc(-c2cccc(NC(=O)C[C@H](NC(=O)c3ccc([O-])cc3)c3ccccc3)c2)[nH]c1C ZINC001442238152 1066106635 /nfs/dbraw/zinc/10/66/35/1066106635.db2.gz ZZTLDRDZTAYHCM-DEOSSOPVSA-N -1 3 454.530 4.899 20 0 JJADHM COc1nsc(C(=O)[N-]c2nc3c(s2)C[C@@H](c2ccccc2)CC3)c1Br ZINC001442507244 1066131945 /nfs/dbraw/zinc/13/19/45/1066131945.db2.gz ZGRREZIWCQNSLU-NSHDSACASA-N -1 3 450.383 4.896 20 0 JJADHM Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(Br)cc2F)c2ccccc2)c([O-])c1 ZINC001442807615 1066225568 /nfs/dbraw/zinc/22/55/68/1066225568.db2.gz YSKOSCQWENNAFE-FQEVSTJZSA-N -1 3 457.299 4.712 20 0 JJADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NCC(C3CCC3)C3CCC3)c2)c1 ZINC001454001900 1066232667 /nfs/dbraw/zinc/23/26/67/1066232667.db2.gz DHFAUEUZDRWPBJ-UHFFFAOYSA-N -1 3 452.551 4.608 20 0 JJADHM O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001442952648 1066245025 /nfs/dbraw/zinc/24/50/25/1066245025.db2.gz BONRLMZYMJIQBP-UHFFFAOYSA-N -1 3 459.365 4.860 20 0 JJADHM CC[C@@H](C)[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001443136333 1066272182 /nfs/dbraw/zinc/27/21/82/1066272182.db2.gz JYAWETKJECRNNC-CJAUYULYSA-N -1 3 455.574 4.624 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC(C)(C)c4ccccc43)c2)cc1 ZINC001454507045 1066294983 /nfs/dbraw/zinc/29/49/83/1066294983.db2.gz YNEDQHODYZQCCE-UHFFFAOYSA-N -1 3 450.560 4.742 20 0 JJADHM Cc1ccc(C(=O)NCCC(=O)Nc2nc([C@H]3CCC[C@H](C(F)(F)F)C3)cs2)c([O-])c1 ZINC001454706062 1066322660 /nfs/dbraw/zinc/32/26/60/1066322660.db2.gz FUCXUDSSFQAHOQ-KBPBESRZSA-N -1 3 455.502 4.752 20 0 JJADHM Cc1ccc(C(=O)NCCC(=O)Nc2nc([C@@H]3CCC[C@H](C(F)(F)F)C3)cs2)c([O-])c1 ZINC001454706064 1066322844 /nfs/dbraw/zinc/32/28/44/1066322844.db2.gz FUCXUDSSFQAHOQ-KGLIPLIRSA-N -1 3 455.502 4.752 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCc4c3cccc4C)c2)cc1 ZINC001455011205 1066353617 /nfs/dbraw/zinc/35/36/17/1066353617.db2.gz CEBXDERSXPCQIN-UHFFFAOYSA-N -1 3 450.560 4.706 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@H](C4CCC4)CC3)ccc2C)cc1 ZINC001455086156 1066358827 /nfs/dbraw/zinc/35/88/27/1066358827.db2.gz OWLJKTOVUNZOGS-FQEVSTJZSA-N -1 3 456.608 4.847 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCc4ccsc4[C@H]3C)ccc2C)cc1 ZINC001455293117 1066381845 /nfs/dbraw/zinc/38/18/45/1066381845.db2.gz LRSGWFURRKBLHZ-MRXNPFEDSA-N -1 3 456.589 4.625 20 0 JJADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)Nc2ccc(C)c(-c3ccsc3)c2)CCCC1 ZINC001455462311 1066393961 /nfs/dbraw/zinc/39/39/61/1066393961.db2.gz HYGFMTMUQKNONU-UHFFFAOYSA-N -1 3 459.593 4.558 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3Cc4ccccc4[C@@H](C)C3)ccc2C)cc1 ZINC001455472288 1066395546 /nfs/dbraw/zinc/39/55/46/1066395546.db2.gz QPWLAEDPAYNGMP-SFHVURJKSA-N -1 3 450.560 4.564 20 0 JJADHM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nc4ccc(Cl)cc4[nH]3)ccc2C)c1 ZINC001455481857 1066396403 /nfs/dbraw/zinc/39/64/03/1066396403.db2.gz SHSUXKLWVPPVHT-UHFFFAOYSA-N -1 3 454.939 4.886 20 0 JJADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)/C=C(\C)c3ccccc3C)c2)cc1 ZINC001444081079 1066400774 /nfs/dbraw/zinc/40/07/74/1066400774.db2.gz NJADWBBLBFAVNW-XDJHFCHBSA-N -1 3 450.560 4.524 20 0 JJADHM CCOC[C@H]1CCCN(C(=O)c2ccc(C)c([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c2)C1 ZINC001444162491 1066422461 /nfs/dbraw/zinc/42/24/61/1066422461.db2.gz DQQXGIXGABXVON-NRFANRHFSA-N -1 3 458.624 4.610 20 0 JJADHM CCOC[C@@H]1CCCN(C(=O)c2ccc(C)c([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c2)C1 ZINC001444162512 1066422620 /nfs/dbraw/zinc/42/26/20/1066422620.db2.gz DQQXGIXGABXVON-OAQYLSRUSA-N -1 3 458.624 4.610 20 0 JJADHM Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)c3ccccc3Oc3ccc(Cl)cc3Cl)C2)n1 ZINC001455757562 1066427947 /nfs/dbraw/zinc/42/79/47/1066427947.db2.gz FRPXGVYEKAHRHE-HNNXBMFYSA-N -1 3 459.333 4.598 20 0 JJADHM C[C@@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C[C@H]1CCNC(=O)OC(C)(C)C ZINC001455815261 1066436811 /nfs/dbraw/zinc/43/68/11/1066436811.db2.gz ZDXAISOOPDRLIK-DENIHFKCSA-N -1 3 452.595 4.800 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C(C)(C)C)C(F)(F)F)c2)cc1 ZINC001444509955 1066470322 /nfs/dbraw/zinc/47/03/22/1066470322.db2.gz QXHSLBJWYPKFNQ-LJQANCHMSA-N -1 3 458.502 4.511 20 0 JJADHM CCSCc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)c1 ZINC001444581175 1066479421 /nfs/dbraw/zinc/47/94/21/1066479421.db2.gz KTDBJUGFKXHLKU-UHFFFAOYSA-N -1 3 459.420 4.940 20 0 JJADHM Cc1c(C(=O)N2CCSC[C@H]2C)sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC001444627719 1066486122 /nfs/dbraw/zinc/48/61/22/1066486122.db2.gz SFVSHTPXZKBQHC-CQSZACIVSA-N -1 3 459.662 4.780 20 0 JJADHM Cc1ccc(C(=O)NCCC(=O)N(CCSc2ccc(F)cc2)c2ccccc2)c([O-])c1 ZINC001444878633 1066515882 /nfs/dbraw/zinc/51/58/82/1066515882.db2.gz GWDGKEUDNWYACL-UHFFFAOYSA-N -1 3 452.551 4.785 20 0 JJADHM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC001444970615 1066524472 /nfs/dbraw/zinc/52/44/72/1066524472.db2.gz KKISATQTWYQFOE-QMHKHESXSA-N -1 3 456.514 4.989 20 0 JJADHM NC(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)cc1 ZINC001444995413 1066527940 /nfs/dbraw/zinc/52/79/40/1066527940.db2.gz ATJFJIBCZHLFPT-UHFFFAOYSA-N -1 3 455.470 4.515 20 0 JJADHM O=C(/C=C\C1CCOCC1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c(Cl)c1 ZINC001445060108 1066535803 /nfs/dbraw/zinc/53/58/03/1066535803.db2.gz ZRROIGJZUSVKIH-YVMONPNESA-N -1 3 455.363 4.716 20 0 JJADHM Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N[C@@H](C)c3nc(C(F)(F)F)n[n-]3)cc12 ZINC001456384557 1066575152 /nfs/dbraw/zinc/57/51/52/1066575152.db2.gz MXZNWLPWCVWCNW-VIFPVBQESA-N -1 3 454.865 4.677 20 0 JJADHM COc1cc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)ccc1OCc1ccc(Cl)cc1 ZINC001456390710 1066575983 /nfs/dbraw/zinc/57/59/83/1066575983.db2.gz XGKDMHUOAQZZIR-NSHDSACASA-N -1 3 454.836 4.556 20 0 JJADHM COc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)cc1C ZINC001456524457 1066612816 /nfs/dbraw/zinc/61/28/16/1066612816.db2.gz LVNKMVCHZNIPPN-QGZVFWFLSA-N -1 3 456.539 4.743 20 0 JJADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N(Cc1ccccc1F)C1CCC1 ZINC001446060464 1066653379 /nfs/dbraw/zinc/65/33/79/1066653379.db2.gz LFKUWGYXPLJBFE-UHFFFAOYSA-N -1 3 456.514 4.961 20 0 JJADHM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)c2)cc1 ZINC001446184533 1066669677 /nfs/dbraw/zinc/66/96/77/1066669677.db2.gz BWBCTAVIWKAPSP-UHFFFAOYSA-N -1 3 456.474 4.862 20 0 JJADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ncc(CC)s2)c(Cl)cc1Cl ZINC001456730939 1066675882 /nfs/dbraw/zinc/67/58/82/1066675882.db2.gz MMKVRDYLAVKXSL-JTQLQIEISA-N -1 3 450.413 4.732 20 0 JJADHM CC(C)(C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1csc(-c2cccs2)n1 ZINC001456796543 1066692905 /nfs/dbraw/zinc/69/29/05/1066692905.db2.gz HSQQWNKGFOSMDZ-UHFFFAOYSA-N -1 3 452.561 4.868 20 0 JJADHM CC(C)(C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1csc(-c2cccs2)n1 ZINC001456796543 1066692912 /nfs/dbraw/zinc/69/29/12/1066692912.db2.gz HSQQWNKGFOSMDZ-UHFFFAOYSA-N -1 3 452.561 4.868 20 0 JJADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCc1ccc(Sc2ccccc2)cc1 ZINC001446437087 1066705641 /nfs/dbraw/zinc/70/56/41/1066705641.db2.gz YYLDSTAJPDVYQX-UHFFFAOYSA-N -1 3 456.571 4.541 20 0 JJADHM COc1cc(CC(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cc(OC)c1OC ZINC001446454249 1066706384 /nfs/dbraw/zinc/70/63/84/1066706384.db2.gz ADSHSVQZSMTCBK-UHFFFAOYSA-N -1 3 450.516 4.876 20 0 JJADHM O=C(Nc1nc2c(cc(F)cc2Br)s1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001456911914 1066720170 /nfs/dbraw/zinc/72/01/70/1066720170.db2.gz AFPADVSHQUISHG-UHFFFAOYSA-N -1 3 454.227 4.570 20 0 JJADHM C[C@@](CO)(NC(=O)c1cc(CCc2ccccc2)ccc1[O-])c1cccc(Br)c1 ZINC001456913169 1066720238 /nfs/dbraw/zinc/72/02/38/1066720238.db2.gz ISDBOOHFOFMVQW-DEOSSOPVSA-N -1 3 454.364 4.577 20 0 JJADHM CCOC(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)c([O-])c1 ZINC001447057040 1066770343 /nfs/dbraw/zinc/77/03/43/1066770343.db2.gz DBFBVFFKIQYWDV-UHFFFAOYSA-N -1 3 457.280 4.771 20 0 JJADHM CC[C@@H](C)n1ncc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)c1C1CC1 ZINC001447141457 1066778031 /nfs/dbraw/zinc/77/80/31/1066778031.db2.gz LVBSUYRMNWRCHJ-OAHLLOKOSA-N -1 3 456.543 4.924 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)Nc1cccc(-c2ncco2)c1 ZINC001447163010 1066779217 /nfs/dbraw/zinc/77/92/17/1066779217.db2.gz IKHJOVWDLAVXCF-UHFFFAOYSA-N -1 3 451.479 4.842 20 0 JJADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccc(Br)c1I ZINC001447272963 1066786753 /nfs/dbraw/zinc/78/67/53/1066786753.db2.gz GHIZHMKCBIRNGQ-UHFFFAOYSA-N -1 3 452.473 4.665 20 0 JJADHM CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1cc(Br)ccc1[O-] ZINC001447277836 1066787285 /nfs/dbraw/zinc/78/72/85/1066787285.db2.gz NYOBPFIZTJUONZ-JOCHJYFZSA-N -1 3 455.352 4.630 20 0 JJADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(I)c(Cl)c1 ZINC001447277857 1066787441 /nfs/dbraw/zinc/78/74/41/1066787441.db2.gz OHDXVXKACZGSSW-UHFFFAOYSA-N -1 3 452.473 4.665 20 0 JJADHM Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2cc(Br)ccc2[O-])c2ccccc2)cc1 ZINC001447279928 1066787578 /nfs/dbraw/zinc/78/75/78/1066787578.db2.gz WOVDHWDEVCUKAN-IBGZPJMESA-N -1 3 453.336 4.963 20 0 JJADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)Nc3cc(C(C)(C)C)[nH]n3)ccc2C)c(C)c1 ZINC001457248233 1066798220 /nfs/dbraw/zinc/79/82/20/1066798220.db2.gz XHMKASWNRMMZQR-UHFFFAOYSA-N -1 3 454.596 4.994 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H](C)c3ccccc3)ccc2C)cc1 ZINC001447461064 1066812101 /nfs/dbraw/zinc/81/21/01/1066812101.db2.gz KZPBPLPDDPERGC-LJQANCHMSA-N -1 3 452.576 4.728 20 0 JJADHM Cc1cccc(C(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c2cccc(C)c2)c1 ZINC001457472794 1066839090 /nfs/dbraw/zinc/83/90/90/1066839090.db2.gz PZFVBRYAXGNBHX-UHFFFAOYSA-N -1 3 454.567 4.649 20 0 JJADHM CCCn1ccc(CNC(=O)c2ccc(C)c([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c2)c1 ZINC001447663321 1066839176 /nfs/dbraw/zinc/83/91/76/1066839176.db2.gz VACXHVYELKGTPK-UHFFFAOYSA-N -1 3 453.608 4.863 20 0 JJADHM COc1cc2[n-]cc(C(=O)NCC3(c4cccc(Cl)c4F)CCCC3)c(=O)c2c(OC)c1 ZINC001447715166 1066845780 /nfs/dbraw/zinc/84/57/80/1066845780.db2.gz DELXFWRXOUZQSV-UHFFFAOYSA-N -1 3 458.917 4.580 20 0 JJADHM CCCCOc1ccc(CNC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1Cl ZINC001447754898 1066854248 /nfs/dbraw/zinc/85/42/48/1066854248.db2.gz ZSIWIJUKKUTSCD-UHFFFAOYSA-N -1 3 457.914 4.703 20 0 JJADHM COc1ccc(C(=O)CC(C)(C)CC(=O)[N-]OCc2ccc(F)cc2Br)cc1 ZINC001447801517 1066861646 /nfs/dbraw/zinc/86/16/46/1066861646.db2.gz IHBUJLIQSKYGEY-UHFFFAOYSA-N -1 3 452.320 4.834 20 0 JJADHM C[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C1(c2ccccc2)CCCC1 ZINC001447869214 1066872166 /nfs/dbraw/zinc/87/21/66/1066872166.db2.gz SICDLDKMQPCTLE-QGZVFWFLSA-N -1 3 455.555 4.585 20 0 JJADHM C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001457800510 1066923769 /nfs/dbraw/zinc/92/37/69/1066923769.db2.gz CLBWYZXWFAQGHE-HZPDHXFCSA-N -1 3 458.493 4.535 20 0 JJADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)ccn1 ZINC001457925157 1066942391 /nfs/dbraw/zinc/94/23/91/1066942391.db2.gz JUPLMNZROJBYBX-UHFFFAOYSA-N -1 3 457.486 4.923 20 0 JJADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC001449191704 1066988610 /nfs/dbraw/zinc/98/86/10/1066988610.db2.gz MKSQOCZVKGOPNK-CABCVRRESA-N -1 3 457.452 4.866 20 0 JJADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC(CC(F)(F)F)CC3)c2)cc1 ZINC001449310769 1066997865 /nfs/dbraw/zinc/99/78/65/1066997865.db2.gz UHSIIVDVWZSFFX-UHFFFAOYSA-N -1 3 454.514 4.909 20 0 JJADHM COc1c(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cc(Cl)cc1C(=O)N(C)C ZINC001449368332 1067004845 /nfs/dbraw/zinc/00/48/45/1067004845.db2.gz GBUWSLLWCKZKBB-UHFFFAOYSA-N -1 3 454.910 4.587 20 0 JJADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@H]3C(=O)CC)c2)cc1 ZINC001449528199 1067013004 /nfs/dbraw/zinc/01/30/04/1067013004.db2.gz BHFNYGCIZJMAMQ-QHCPKHFHSA-N -1 3 456.608 4.722 20 0 JJADHM C=Cc1ccc(CCNC(=O)c2cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc2Cl)cc1 ZINC001450060179 1067045845 /nfs/dbraw/zinc/04/58/45/1067045845.db2.gz GDABYPZYCJZTJW-UHFFFAOYSA-N -1 3 455.407 4.543 20 0 JJADHM CC(C)(C)OC(=O)N1CCC(c2ocnc2C(=O)[N-]c2cscc2Br)CC1 ZINC001450325657 1067071535 /nfs/dbraw/zinc/07/15/35/1067071535.db2.gz JTLURJZZUDLVDQ-UHFFFAOYSA-N -1 3 456.362 4.865 20 0 JJADHM O=C(Oc1ccc(I)c(Br)c1)c1cccc(Cl)c1[O-] ZINC001458778742 1067142295 /nfs/dbraw/zinc/14/22/95/1067142295.db2.gz CEYZURHSHOYVAO-UHFFFAOYSA-N -1 3 453.457 4.632 20 0 JJADHM CN(C[C@H](O)c1ccccc1Br)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001451472842 1067173963 /nfs/dbraw/zinc/17/39/63/1067173963.db2.gz NUQBMEXMOUJMAI-QHCPKHFHSA-N -1 3 454.364 4.746 20 0 JJADHM CSc1cc(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)ccc1Cl ZINC001451492398 1067175343 /nfs/dbraw/zinc/17/53/43/1067175343.db2.gz ZTNVKWVAQIGTKV-UHFFFAOYSA-N -1 3 453.800 4.676 20 0 JJADHM CCCCc1nc(NC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)c(C(=O)OCC)[n-]1 ZINC001458952504 1067206794 /nfs/dbraw/zinc/20/67/94/1067206794.db2.gz HMCZIGZTJQSLBF-UHFFFAOYSA-N -1 3 450.326 4.674 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CC[C@@H](C4CCCCC4)C3)ccc2C)cc1 ZINC001452952768 1067267198 /nfs/dbraw/zinc/26/71/98/1067267198.db2.gz KIBCTSUFRWHLJJ-OAQYLSRUSA-N -1 3 456.608 4.847 20 0 JJADHM COC(=O)c1sc2[n-]c(CN(Cc3ccc(Cl)c(Cl)c3)C(C)C)nc(=O)c2c1C ZINC001459316620 1067292215 /nfs/dbraw/zinc/29/22/15/1067292215.db2.gz ALXPSOFWUYFLCR-UHFFFAOYSA-N -1 3 454.379 4.797 20 0 JJADHM Cc1cccc(C)c1NC(=O)[C@H](C)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001459413763 1067317971 /nfs/dbraw/zinc/31/79/71/1067317971.db2.gz GUGYBYBKWKIISL-FQEVSTJZSA-N -1 3 451.592 4.563 20 0 JJADHM COc1cc2[n-]cc(C(=O)N(Cc3ccccc3)[C@@H](C)Cc3ccccc3)c(=O)c2c(OC)c1 ZINC001453829246 1067331603 /nfs/dbraw/zinc/33/16/03/1067331603.db2.gz XCQKHTJGKNQWKN-IBGZPJMESA-N -1 3 456.542 4.819 20 0 JJADHM Cc1ccc(-c2noc([C@@H](C)N3CCC(C(=O)Nc4cc(Cl)ccc4[O-])CC3)n2)cc1F ZINC001459885837 1067473202 /nfs/dbraw/zinc/47/32/02/1067473202.db2.gz ZUOQOSXVEYASAC-CQSZACIVSA-N -1 3 458.921 4.955 20 0 JJADHM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC001460061352 1067542425 /nfs/dbraw/zinc/54/24/25/1067542425.db2.gz OEZBZDUHMJWYNE-UHFFFAOYSA-N -1 3 450.882 4.918 20 0 JJADHM O=C([N-]CC[C@@H]1CN(CCOc2ccccc2Br)c2ccccc21)C(F)(F)F ZINC001460654420 1067688915 /nfs/dbraw/zinc/68/89/15/1067688915.db2.gz VLDSANCGOSWKBB-CQSZACIVSA-N -1 3 457.290 4.500 20 0 JJADHM O=C([N-]c1nnc(-c2cccc(C(F)(F)F)c2)s1)c1cn(-c2cccc(Cl)c2)nn1 ZINC001462062679 1067993974 /nfs/dbraw/zinc/99/39/74/1067993974.db2.gz GYPHONQHMPFBEO-UHFFFAOYSA-N -1 3 450.833 4.710 20 0 JJADHM CC(C)(C)OC(=O)N(CCN1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1)C(C)(C)C ZINC001462449193 1068077175 /nfs/dbraw/zinc/07/71/75/1068077175.db2.gz QXWMGBCLNOQPFC-RTBURBONSA-N -1 3 471.564 4.559 20 0 JJADHM O=S(=O)([N-]Cc1ccc(COc2ccccc2)cc1)c1ccc(C(F)(F)F)nc1Cl ZINC001462833588 1068183248 /nfs/dbraw/zinc/18/32/48/1068183248.db2.gz HTNRDDMCKUPHCI-UHFFFAOYSA-N -1 3 456.873 4.811 20 0 JJADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1cccc(Oc2ccccc2)c1 ZINC001462836415 1068184461 /nfs/dbraw/zinc/18/44/61/1068184461.db2.gz MVJHQPLIPSRIEM-UHFFFAOYSA-N -1 3 453.541 4.959 20 0 JJADHM Cc1cc(Cl)c(S(=O)(=O)[N-]Cc2cc(Br)cs2)c(Br)c1 ZINC001462859763 1068194018 /nfs/dbraw/zinc/19/40/18/1068194018.db2.gz HWQIFOLVYSPNGS-UHFFFAOYSA-N -1 3 459.612 4.713 20 0 JJADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1cccc(C(=O)OCc2ccccc2)c1 ZINC001463004951 1068246786 /nfs/dbraw/zinc/24/67/86/1068246786.db2.gz CBLXKPUJVGZYIO-UHFFFAOYSA-N -1 3 453.491 4.716 20 0 JJADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c1Cl ZINC001463104110 1068289094 /nfs/dbraw/zinc/28/90/94/1068289094.db2.gz ZRQRNWXBRPTTPV-CYBMUJFWSA-N -1 3 453.313 4.878 20 0 JJADHM O=S(=O)([N-]C1(c2cccc(F)c2)CC1)c1csc(-c2cccc(Br)c2)n1 ZINC001463129142 1068296644 /nfs/dbraw/zinc/29/66/44/1068296644.db2.gz BFOXGXZQVIQJFM-UHFFFAOYSA-N -1 3 453.358 4.679 20 0 JJADHM Cc1ccc([C@H]2OCCC[C@H]2C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)cc1 ZINC001463186424 1068313572 /nfs/dbraw/zinc/31/35/72/1068313572.db2.gz PIRKHICAVXSIGV-HNAYVOBHSA-N -1 3 458.805 4.857 20 0 JJADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC1(C(=O)Nc2ccc(C)c(C)c2)CCCC1 ZINC001463205994 1068320337 /nfs/dbraw/zinc/32/03/37/1068320337.db2.gz SAYLFDJSYOICBS-UHFFFAOYSA-N -1 3 458.555 4.975 20 0 JJADHM CC(C)(Cc1cccc(Br)c1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC001463213984 1068322434 /nfs/dbraw/zinc/32/24/34/1068322434.db2.gz YPWJCIQSVBDQDH-UHFFFAOYSA-N -1 3 454.283 4.907 20 0 JJADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc(-c3ccccc3OC)cc2)c1 ZINC001463222691 1068325222 /nfs/dbraw/zinc/32/52/22/1068325222.db2.gz UXGDRZMNHDPGRO-INIZCTEOSA-N -1 3 457.523 4.636 20 0 JJADHM CO[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br)c1cccc(Cl)c1 ZINC001463224599 1068326712 /nfs/dbraw/zinc/32/67/12/1068326712.db2.gz XABZDTFMKPTRCY-HNNXBMFYSA-N -1 3 453.185 4.730 20 0 JJADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccc(C)o1 ZINC001463228499 1068328518 /nfs/dbraw/zinc/32/85/18/1068328518.db2.gz PCANAURZTJRHQF-LJQANCHMSA-N -1 3 450.354 4.684 20 0 JJADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCCc1ccc(Cl)cc1Cl ZINC001463239729 1068331973 /nfs/dbraw/zinc/33/19/73/1068331973.db2.gz PCXZJDZKCGSEMG-UHFFFAOYSA-N -1 3 458.388 4.906 20 0 JJADHM COC(=O)c1cc2nc(NC(=O)c3ccc4ccc(Cl)cc4n3)[n-]c2c(Br)c1 ZINC001463315641 1068353311 /nfs/dbraw/zinc/35/33/11/1068353311.db2.gz AVPLDHFZPHKEBD-UHFFFAOYSA-N -1 3 459.687 4.566 20 0 JJADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2cccc(Cl)c2)c2ccccn2)sc1Br ZINC001463316680 1068353843 /nfs/dbraw/zinc/35/38/43/1068353843.db2.gz FMIYGXWQRHQHKZ-INIZCTEOSA-N -1 3 457.802 4.935 20 0 JJADHM O=S(=O)([N-][C@H](c1cccc(F)c1)c1cccc(Cl)c1)c1ccc(Cl)c2nonc21 ZINC001463339085 1068361799 /nfs/dbraw/zinc/36/17/99/1068361799.db2.gz UGSUQOLTEACYDX-KRWDZBQOSA-N -1 3 452.294 4.737 20 0 JJADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC001463402030 1068385208 /nfs/dbraw/zinc/38/52/08/1068385208.db2.gz XGZNQANJQSFCAL-HYBUGGRVSA-N -1 3 453.535 4.752 20 0 JJADHM O=S(=O)([N-][C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1c[nH]c2nccc(Cl)c12 ZINC001463408019 1068387003 /nfs/dbraw/zinc/38/70/03/1068387003.db2.gz AHJLLLWRVYPDMB-CYBMUJFWSA-N -1 3 457.783 4.817 20 0 JJADHM CCOC(=O)[C@H](Cc1cccc2ccccc21)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001463555844 1068440301 /nfs/dbraw/zinc/44/03/01/1068440301.db2.gz OEGKWURTMDCVDX-IBGZPJMESA-N -1 3 452.359 4.599 20 0 JJADHM CC(C)N1CCC[C@@H]1C(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC001463561586 1068443482 /nfs/dbraw/zinc/44/34/82/1068443482.db2.gz QIYSDEWSKNIMGA-GOSISDBHSA-N -1 3 456.395 4.606 20 0 JJADHM Cc1ccc(NC(=O)c2ccc3cncn3c2C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001463561762 1068444357 /nfs/dbraw/zinc/44/43/57/1068444357.db2.gz AXIXANRWZSKWSC-UHFFFAOYSA-N -1 3 454.939 4.658 20 0 JJADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC001463601501 1068461847 /nfs/dbraw/zinc/46/18/47/1068461847.db2.gz FQTKPRTXNLNGJB-MAUKXSAKSA-N -1 3 450.329 4.584 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)Cc3csc(-c4ccoc4)n3)cc2)cc1 ZINC001463631660 1068475578 /nfs/dbraw/zinc/47/55/78/1068475578.db2.gz FZGNOFIWMVVCNK-UHFFFAOYSA-N -1 3 453.545 4.694 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ncoc3-c3ccc(F)cc3)cc2)cc1 ZINC001463633760 1068476288 /nfs/dbraw/zinc/47/62/88/1068476288.db2.gz MJBXHHOQLZPQMR-UHFFFAOYSA-N -1 3 451.479 4.842 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H](c3ccc(Cl)cc3)N(C)C)cc2)cc1 ZINC001463633951 1068476861 /nfs/dbraw/zinc/47/68/61/1068476861.db2.gz NGKLASOLSKDGKP-JOCHJYFZSA-N -1 3 457.983 4.691 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(C)c(C)c3O)ccc2C)cc1 ZINC001463694818 1068496789 /nfs/dbraw/zinc/49/67/89/1068496789.db2.gz PGXTWTZOSLUVTE-UHFFFAOYSA-N -1 3 454.548 4.769 20 0 JJADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)s1 ZINC001463704267 1068500316 /nfs/dbraw/zinc/50/03/16/1068500316.db2.gz ZEBNZYGRKVLVAN-UHFFFAOYSA-N -1 3 454.556 4.727 20 0 JJADHM COCC[C@@H]([N-]S(=O)(=O)c1csnc1-c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC001463708005 1068501474 /nfs/dbraw/zinc/50/14/74/1068501474.db2.gz QMLOTGQQHTVPDN-QGZVFWFLSA-N -1 3 456.511 4.885 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Oc3ccc(OCC)cc3)c2)cc1 ZINC001463754820 1068513580 /nfs/dbraw/zinc/51/35/80/1068513580.db2.gz VTPNZOXOMGWWHO-UHFFFAOYSA-N -1 3 455.532 4.812 20 0 JJADHM CCOc1cc(NC(=O)c2cccc(OC)c2[O-])c(OCC)cc1NC(=O)c1ccccc1 ZINC001463954790 1068574927 /nfs/dbraw/zinc/57/49/27/1068574927.db2.gz GEKDQSPIAFDGTR-UHFFFAOYSA-N -1 3 450.491 4.703 20 0 JJADHM CC[C@@H](Cc1ccc(Br)cc1)[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001464143895 1068633094 /nfs/dbraw/zinc/63/30/94/1068633094.db2.gz HQQDRIMYFPERHS-KRWDZBQOSA-N -1 3 451.411 4.872 20 0 JJADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CN(C)C)c2cccc(C(F)(F)F)c2)c1Cl ZINC001464206802 1068657513 /nfs/dbraw/zinc/65/75/13/1068657513.db2.gz PSIVOMFTFAAIQU-OAHLLOKOSA-N -1 3 455.329 4.902 20 0 JJADHM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC001464261366 1068679962 /nfs/dbraw/zinc/67/99/62/1068679962.db2.gz CKUXSYMBDFGORF-AEFFLSMTSA-N -1 3 455.388 4.925 20 0 JJADHM Cc1cc2c[nH]nc2c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2)c1 ZINC001464340030 1068712372 /nfs/dbraw/zinc/71/23/72/1068712372.db2.gz MSWDSSIPRACJSX-UHFFFAOYSA-N -1 3 458.902 4.717 20 0 JJADHM Cc1cc2cn[nH]c2c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2)c1 ZINC001464340030 1068712385 /nfs/dbraw/zinc/71/23/85/1068712385.db2.gz MSWDSSIPRACJSX-UHFFFAOYSA-N -1 3 458.902 4.717 20 0 JJADHM O=S(=O)(Cc1ccc(C2CCCCC2)cc1)[N-][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC001464361280 1068718921 /nfs/dbraw/zinc/71/89/21/1068718921.db2.gz CBNKDBMASWDOBH-FCHUYYIVSA-N -1 3 455.542 4.688 20 0 JJADHM O=S(=O)(Cc1ccc(C2CCCCC2)cc1)[N-][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC001464361283 1068719019 /nfs/dbraw/zinc/71/90/19/1068719019.db2.gz CBNKDBMASWDOBH-YADHBBJMSA-N -1 3 455.542 4.688 20 0 JJADHM O=S(=O)(Cc1ccc(C2CCCCC2)cc1)[N-][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC001464361281 1068719114 /nfs/dbraw/zinc/71/91/14/1068719114.db2.gz CBNKDBMASWDOBH-FGZHOGPDSA-N -1 3 455.542 4.688 20 0 JJADHM Cc1ccc(-c2csc(NC(=O)CS(=O)(=O)[N-]c3ccc(OC(C)C)cc3)n2)cc1C ZINC001464372575 1068721686 /nfs/dbraw/zinc/72/16/86/1068721686.db2.gz ABDXBTSGUBLLCO-UHFFFAOYSA-N -1 3 459.593 4.595 20 0 JJADHM CC(C)Oc1cc(Cl)ccc1C[N-]S(=O)(=O)c1ccc(F)c(Br)c1F ZINC001464393664 1068729795 /nfs/dbraw/zinc/72/97/95/1068729795.db2.gz LJAFWDBGHIZPPY-UHFFFAOYSA-N -1 3 454.720 4.646 20 0 JJADHM CN(C(=O)c1c[n-]c2ccc(I)cc2c1=O)c1cccc2ccccc21 ZINC001464458613 1068753681 /nfs/dbraw/zinc/75/36/81/1068753681.db2.gz CXEZFMHTPRVRLK-UHFFFAOYSA-N -1 3 454.267 4.563 20 0 JJADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2Cl)C(F)(F)F)c(C)c1 ZINC001464582168 1068790868 /nfs/dbraw/zinc/79/08/68/1068790868.db2.gz OLCUJPSWYRCFFI-HNNXBMFYSA-N -1 3 456.269 4.670 20 0 JJADHM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2nnc(C(C)C)[nH]2)cc1 ZINC001464709342 1068833299 /nfs/dbraw/zinc/83/32/99/1068833299.db2.gz ATGLIEIKMYFUQB-UHFFFAOYSA-N -1 3 455.584 4.587 20 0 JJADHM CC(C)NC(=O)C[C@H]1CC2(CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC2)Oc2ccccc21 ZINC001164804831 721593258 /nfs/dbraw/zinc/59/32/58/721593258.db2.gz ZCWRLUGWSJWPDX-HNNXBMFYSA-N -1 3 497.011 4.784 20 0 JJADHM O=C([N-]c1nc(-c2ccc(F)cc2)ns1)c1cnn(-c2cccc(F)c2)c1C(F)(F)F ZINC001435180663 1064572034 /nfs/dbraw/zinc/57/20/34/1064572034.db2.gz HAEVRSUWHPBAEZ-UHFFFAOYSA-N -1 3 451.380 4.940 20 0 JJADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)CCSC)c(Cl)cc1Cl ZINC001435221197 1064601194 /nfs/dbraw/zinc/60/11/94/1064601194.db2.gz MXCNEQWGNRHWDO-STQMWFEESA-N -1 3 455.473 4.674 20 0 JJADHM Cc1csc(C(=O)[N-]c2c(F)cc(Br)cc2F)c1I ZINC001435303157 1064678505 /nfs/dbraw/zinc/67/85/05/1064678505.db2.gz IPXJRUDTLHXMQE-UHFFFAOYSA-N -1 3 458.065 4.954 20 0 JJADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001435444217 1064760324 /nfs/dbraw/zinc/76/03/24/1064760324.db2.gz UTFQFLDSSUUCHE-CABCVRRESA-N -1 3 454.995 4.820 20 0 JJADHM CCCCc1nc(NC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)c(C(=O)OCC)[n-]1 ZINC001435887553 1065044876 /nfs/dbraw/zinc/04/48/76/1065044876.db2.gz TXTUMMZCNKVUPM-GFCCVEGCSA-N -1 3 454.340 4.963 20 0 JJADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCc3ccc(-c4ccccc4)cc32)ccc1F ZINC001435986329 1065093653 /nfs/dbraw/zinc/09/36/53/1065093653.db2.gz KDUGUGGJGVTJCA-QHCPKHFHSA-N -1 3 452.551 4.597 20 0 JJADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)[C@H](c3ccccc3)C(C)C)c2)cc1 ZINC001360284937 1065124230 /nfs/dbraw/zinc/12/42/30/1065124230.db2.gz PPXRDRFMWXSUFN-DEOSSOPVSA-N -1 3 452.576 4.552 20 0 JJADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3c(Cl)cc(Cl)cc3Cl)c2)[n-]1 ZINC001436101000 1065179801 /nfs/dbraw/zinc/17/98/01/1065179801.db2.gz UBRDHGPHTUGYEY-UHFFFAOYSA-N -1 3 453.713 4.539 20 0 JJADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3c(Cl)cc(Cl)cc3Cl)c2)n[n-]1 ZINC001436101000 1065179809 /nfs/dbraw/zinc/17/98/09/1065179809.db2.gz UBRDHGPHTUGYEY-UHFFFAOYSA-N -1 3 453.713 4.539 20 0 JJADHM CC(C)SCCn1c(-c2ccccc2Cl)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001360417359 1065281392 /nfs/dbraw/zinc/28/13/92/1065281392.db2.gz ACYVSHZHBGABKI-UHFFFAOYSA-N -1 3 489.995 4.635 20 0 JJADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C3CC3)n2)c(Cl)cc1Cl ZINC001436406166 1065311090 /nfs/dbraw/zinc/31/10/90/1065311090.db2.gz XIPABAPFJXTXGR-LBPRGKRZSA-N -1 3 456.395 4.985 20 0 JJADHM O=C([N-]C[C@@H]1CCCN(C(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)C1)C(F)(F)F ZINC001436556210 1065360739 /nfs/dbraw/zinc/36/07/39/1065360739.db2.gz CTWMXLBFDFBHNM-INIZCTEOSA-N -1 3 457.452 4.539 20 0 JJADHM COC(=O)c1c(F)ccc([N-]C(=O)c2scc(Br)c2Br)c1F ZINC001436575743 1065375057 /nfs/dbraw/zinc/37/50/57/1065375057.db2.gz SGWGVACMCPSQSA-UHFFFAOYSA-N -1 3 455.074 4.590 20 0 JJADHM C[C@@H](CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl)CC(F)(F)F ZINC001436837150 1065449331 /nfs/dbraw/zinc/44/93/31/1065449331.db2.gz ODURZNSWCQAZIN-LLVKDONJSA-N -1 3 452.857 4.598 20 0 JJADHM O=C(N[C@@H]1C[C@H]1c1ccsc1)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC001438402662 1065719974 /nfs/dbraw/zinc/71/99/74/1065719974.db2.gz OXQYJAOJUIJBOB-IFXJQAMLSA-N -1 3 450.944 4.627 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ncccc3NCC3CCC3)cc2)cc1 ZINC001440518170 1065946233 /nfs/dbraw/zinc/94/62/33/1065946233.db2.gz JRUVVEKJLDXRNE-UHFFFAOYSA-N -1 3 450.564 4.655 20 0 JJADHM Nc1ccc(F)cc1C(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC001440561953 1065949514 /nfs/dbraw/zinc/94/95/14/1065949514.db2.gz BVTFZUYNXJEMMH-UHFFFAOYSA-N -1 3 454.310 4.768 20 0 JJADHM CC(C)n1cc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)cn1 ZINC001440562448 1065949631 /nfs/dbraw/zinc/94/96/31/1065949631.db2.gz DXQDODGXRGMBGJ-UHFFFAOYSA-N -1 3 453.351 4.824 20 0 JJADHM C[C@H]1C(=O)CC[C@@H]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC001440563832 1065950199 /nfs/dbraw/zinc/95/01/99/1065950199.db2.gz JFXBKCUGIHPDNK-CHWSQXEVSA-N -1 3 455.363 4.738 20 0 JJADHM COc1ccc(NC(=O)/C=C/c2ccncc2C)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC001440592517 1065952453 /nfs/dbraw/zinc/95/24/53/1065952453.db2.gz FTLRTYNRYDJZIU-JXMROGBWSA-N -1 3 457.939 4.505 20 0 JJADHM COc1ccc(NC(=O)C[C@H](C)C(F)(F)F)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC001440593498 1065953290 /nfs/dbraw/zinc/95/32/90/1065953290.db2.gz ICWJADJQEJJZKN-NSHDSACASA-N -1 3 450.866 4.676 20 0 JJADHM COc1ccc2[nH]cc(C3=CCN(C(=O)c4c[n-]c(=NC(=O)OC(C)(C)C)s4)CC3)c2c1 ZINC001441392689 1066037491 /nfs/dbraw/zinc/03/74/91/1066037491.db2.gz CTCBWALGRAJLQK-UHFFFAOYSA-N -1 3 454.552 4.910 20 0 JJADHM CCN(CC)c1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)cn1 ZINC001441485905 1066046114 /nfs/dbraw/zinc/04/61/14/1066046114.db2.gz UIZWIVZJXGTPTP-UHFFFAOYSA-N -1 3 452.580 4.598 20 0 JJADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCc3cccc(OC(C)C)c3)c2)cc1 ZINC001441683535 1066061261 /nfs/dbraw/zinc/06/12/61/1066061261.db2.gz SIOKVVKLEFLMNE-UHFFFAOYSA-N -1 3 452.576 4.821 20 0 JJADHM Cc1c(C(=O)[N-]c2c(F)cc(Br)cc2F)nnn1-c1ccc(OC(C)C)cc1 ZINC001360909145 1066065323 /nfs/dbraw/zinc/06/53/23/1066065323.db2.gz MFOQBSHOUTVDOU-UHFFFAOYSA-N -1 3 451.271 4.656 20 0 JJADHM CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)C1 ZINC001545945437 1066083603 /nfs/dbraw/zinc/08/36/03/1066083603.db2.gz SUGILVXXFREUTH-LJQANCHMSA-N -1 3 457.527 4.812 20 0 JJADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)C[C@@H]3CCCCO3)c2)cc1 ZINC001442083407 1066091611 /nfs/dbraw/zinc/09/16/11/1066091611.db2.gz JJKLDSGMNBPUCF-QFIPXVFZSA-N -1 3 458.624 4.780 20 0 JJADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)C[C@H]3CCCCO3)c2)cc1 ZINC001442083402 1066091641 /nfs/dbraw/zinc/09/16/41/1066091641.db2.gz JJKLDSGMNBPUCF-JOCHJYFZSA-N -1 3 458.624 4.780 20 0 JJADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC001442188126 1066100620 /nfs/dbraw/zinc/10/06/20/1066100620.db2.gz VMGJILUMSKNOHW-IBGZPJMESA-N -1 3 455.407 4.653 20 0 JJADHM CC1(C)C[C@@]1(CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1ccccc1 ZINC001453941335 1066224141 /nfs/dbraw/zinc/22/41/41/1066224141.db2.gz GHGGPMJECGDGPU-RUZDIDTESA-N -1 3 452.551 4.724 20 0 JJADHM CSc1ccc([O-])c(C(=O)N2CCc3cc(Br)c(Br)cc3C2)c1 ZINC001454039259 1066238252 /nfs/dbraw/zinc/23/82/52/1066238252.db2.gz RUICRYPUIWCOSS-UHFFFAOYSA-N -1 3 457.187 4.838 20 0 JJADHM Cc1ccc(Br)cc1NC(=O)CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001442916974 1066240094 /nfs/dbraw/zinc/24/00/94/1066240094.db2.gz BVBCWQIXYUNBDH-UHFFFAOYSA-N -1 3 455.308 4.624 20 0 JJADHM CC[C@@H](C)[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001443136347 1066272254 /nfs/dbraw/zinc/27/22/54/1066272254.db2.gz JYAWETKJECRNNC-IQGLISFBSA-N -1 3 455.574 4.624 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(OC)cc3F)ccc2C)cc1 ZINC001454719424 1066326266 /nfs/dbraw/zinc/32/62/66/1066326266.db2.gz QFGVTFVYCLIQHZ-UHFFFAOYSA-N -1 3 458.511 4.595 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CC[C@@]3(C)C3CCCCC3)ccc2C)cc1 ZINC001455107096 1066361981 /nfs/dbraw/zinc/36/19/81/1066361981.db2.gz DLWCALILZQBQQT-VWLOTQADSA-N -1 3 456.608 4.989 20 0 JJADHM O=C(NCCSCCOc1cccc(Br)c1)c1cc2sccc2c([O-])c1 ZINC001444150651 1066418761 /nfs/dbraw/zinc/41/87/61/1066418761.db2.gz CTJOMLJAYLUBJS-UHFFFAOYSA-N -1 3 452.395 4.911 20 0 JJADHM O=C(N[C@H]1CCN(c2ccccc2Br)C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001444239011 1066432459 /nfs/dbraw/zinc/43/24/59/1066432459.db2.gz LFVICBXLGZYSFD-IBGZPJMESA-N -1 3 451.364 4.754 20 0 JJADHM CC(C)(C)OC(=O)N1CCC[C@]1(C[N-]C(=O)C(F)(F)c1ccc(Cl)cc1)C(F)(F)F ZINC001455953463 1066459542 /nfs/dbraw/zinc/45/95/42/1066459542.db2.gz MBBYETGIQDOROK-KRWDZBQOSA-N -1 3 456.839 4.880 20 0 JJADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3nc4ccc(C)nc4s3)c2)cc1 ZINC001455976254 1066465189 /nfs/dbraw/zinc/46/51/89/1066465189.db2.gz GWNSBAGDEPQTND-UHFFFAOYSA-N -1 3 452.561 4.670 20 0 JJADHM CC(C)n1cc2cc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4F)cc3)ccc2n1 ZINC001444610595 1066481683 /nfs/dbraw/zinc/48/16/83/1066481683.db2.gz OVSPHBCCXMOSCI-UHFFFAOYSA-N -1 3 452.511 4.809 20 0 JJADHM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001445177425 1066543842 /nfs/dbraw/zinc/54/38/42/1066543842.db2.gz JOKGQUKMSSHRQK-IQMFZBJNSA-N -1 3 456.514 4.819 20 0 JJADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001445371441 1066563883 /nfs/dbraw/zinc/56/38/83/1066563883.db2.gz AICKXHIXRMVFBP-UYAOXDASSA-N -1 3 452.551 4.720 20 0 JJADHM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001445378137 1066565099 /nfs/dbraw/zinc/56/50/99/1066565099.db2.gz OIZOISUXGJHLSX-RXVVDRJESA-N -1 3 452.551 4.720 20 0 JJADHM Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N[C@H](C)c3nc(C(F)(F)F)n[n-]3)cc12 ZINC001456384556 1066575104 /nfs/dbraw/zinc/57/51/04/1066575104.db2.gz MXZNWLPWCVWCNW-SECBINFHSA-N -1 3 454.865 4.677 20 0 JJADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)c3ccccc3CC(C)C)c2)cc1 ZINC001456415937 1066581504 /nfs/dbraw/zinc/58/15/04/1066581504.db2.gz WEZGYUNEEQVTIK-UHFFFAOYSA-N -1 3 452.576 4.625 20 0 JJADHM CC(C)c1ccccc1Nc1ccc(C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)cc1 ZINC001445561668 1066587363 /nfs/dbraw/zinc/58/73/63/1066587363.db2.gz QXFYIUZVZDLOCG-UHFFFAOYSA-N -1 3 455.555 4.994 20 0 JJADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(Br)c(C(F)(F)F)c1 ZINC001445911294 1066633760 /nfs/dbraw/zinc/63/37/60/1066633760.db2.gz NKLWOMGDBOAYAS-UHFFFAOYSA-N -1 3 453.052 4.866 20 0 JJADHM Cc1cccc(COc2cccc(NC(=O)c3ccc(F)c(S(=O)(=O)[N-]C(C)C)c3)c2)c1 ZINC001456656902 1066660855 /nfs/dbraw/zinc/66/08/55/1066660855.db2.gz BDILEEJIJDVTNT-UHFFFAOYSA-N -1 3 456.539 4.652 20 0 JJADHM Cc1coc(-c2cccc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4F)cc3)c2)n1 ZINC001446138953 1066663893 /nfs/dbraw/zinc/66/38/93/1066663893.db2.gz FCDVKVIAIIPNFQ-UHFFFAOYSA-N -1 3 451.479 4.842 20 0 JJADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CCOC4(CCCCC4)C3)c2)cc1 ZINC001446144367 1066666045 /nfs/dbraw/zinc/66/60/45/1066666045.db2.gz QNSMVSNOGZWWDL-OAQYLSRUSA-N -1 3 456.608 4.716 20 0 JJADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)s1 ZINC001446187356 1066670284 /nfs/dbraw/zinc/67/02/84/1066670284.db2.gz NPGVTFOTGWYUET-UHFFFAOYSA-N -1 3 452.536 4.672 20 0 JJADHM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001446279514 1066685198 /nfs/dbraw/zinc/68/51/98/1066685198.db2.gz KPEDTIQCUUWQRD-JKSUJKDBSA-N -1 3 456.514 4.914 20 0 JJADHM CCC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc2Cl)c1 ZINC001446366376 1066696928 /nfs/dbraw/zinc/69/69/28/1066696928.db2.gz RCGCFUZNIFNXRD-UHFFFAOYSA-N -1 3 457.379 4.773 20 0 JJADHM C[C@](CO)(NC(=O)c1cc(CCc2ccccc2)ccc1[O-])c1cccc(Br)c1 ZINC001456913176 1066720075 /nfs/dbraw/zinc/72/00/75/1066720075.db2.gz ISDBOOHFOFMVQW-XMMPIXPASA-N -1 3 454.364 4.577 20 0 JJADHM COc1cc2ncc(C(=O)Nc3ccc(Br)c4ccccc34)c([O-])c2c(OC)c1 ZINC001446866826 1066750064 /nfs/dbraw/zinc/75/00/64/1066750064.db2.gz KTOQUXJGMAUHSA-UHFFFAOYSA-N -1 3 453.292 4.713 20 0 JJADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccnn3C3CC3)c2)cc1 ZINC001457059059 1066752271 /nfs/dbraw/zinc/75/22/71/1066752271.db2.gz SHOHETRSCSEPFP-UHFFFAOYSA-N -1 3 452.580 4.922 20 0 JJADHM CCOC(=O)c1ccc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c([O-])c1 ZINC001447059966 1066770284 /nfs/dbraw/zinc/77/02/84/1066770284.db2.gz HUWXUAKOFAMFSA-UHFFFAOYSA-N -1 3 450.438 4.892 20 0 JJADHM Cc1ccc(CSc2nc(NC(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)n[n-]2)cc1 ZINC001457165919 1066778209 /nfs/dbraw/zinc/77/82/09/1066778209.db2.gz ZVLZKBUMOCCUCP-UHFFFAOYSA-N -1 3 453.568 4.934 20 0 JJADHM CCCOc1c(Br)cc(C(=O)Nc2cc(Br)ccc2[O-])cc1OC ZINC001447277812 1066787475 /nfs/dbraw/zinc/78/74/75/1066787475.db2.gz NCWSNZJGSKGGCB-UHFFFAOYSA-N -1 3 459.134 4.967 20 0 JJADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NC3([C@@H]4CCCO4)CCC3)ccc2C)c(C)c1 ZINC001457217263 1066792653 /nfs/dbraw/zinc/79/26/53/1066792653.db2.gz SATRDVLUKMUILV-QFIPXVFZSA-N -1 3 456.608 4.553 20 0 JJADHM COc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1OC(C)C ZINC001447368383 1066800236 /nfs/dbraw/zinc/80/02/36/1066800236.db2.gz BKOZXUYOERTLDK-UHFFFAOYSA-N -1 3 458.511 4.675 20 0 JJADHM COc1ccc(Sc2nsc([N-]C(=O)c3cc(OCc4ccccc4)ccn3)n2)cc1 ZINC001457458521 1066834846 /nfs/dbraw/zinc/83/48/46/1066834846.db2.gz BAHKVNOEOQHDDD-UHFFFAOYSA-N -1 3 450.545 4.924 20 0 JJADHM C[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)c1cc2ccccc2o1 ZINC001447716037 1066846554 /nfs/dbraw/zinc/84/65/54/1066846554.db2.gz CCMBSJIZXJSVCU-LLVKDONJSA-N -1 3 453.347 4.671 20 0 JJADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(I)c(Br)c1 ZINC001546000566 1066862179 /nfs/dbraw/zinc/86/21/79/1066862179.db2.gz SZASMKUCZJWOCD-UHFFFAOYSA-N -1 3 452.473 4.665 20 0 JJADHM Cc1ccc(CO[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC001457569405 1066865838 /nfs/dbraw/zinc/86/58/38/1066865838.db2.gz MYGXOFAOTORGGE-SFHVURJKSA-N -1 3 456.539 4.787 20 0 JJADHM Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC001457569455 1066865929 /nfs/dbraw/zinc/86/59/29/1066865929.db2.gz NRDIHMBILLJFBL-UHFFFAOYSA-N -1 3 453.417 4.601 20 0 JJADHM Cc1nc(-c2ccsc2)ccc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC001457734104 1066906728 /nfs/dbraw/zinc/90/67/28/1066906728.db2.gz GUMNBUFHAXWNCC-UHFFFAOYSA-N -1 3 455.967 4.968 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCc4cc(C)ccc43)ccc2C)cc1 ZINC001448972784 1066974567 /nfs/dbraw/zinc/97/45/67/1066974567.db2.gz MHKXPHGHXXJYSN-UHFFFAOYSA-N -1 3 450.560 4.706 20 0 JJADHM C[C@@H](NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001449191721 1066988476 /nfs/dbraw/zinc/98/84/76/1066988476.db2.gz MKSQOCZVKGOPNK-HUUCEWRRSA-N -1 3 457.452 4.866 20 0 JJADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CCC(CC(F)(F)F)CC1 ZINC001449307064 1066997561 /nfs/dbraw/zinc/99/75/61/1066997561.db2.gz GNECYIQVCOOQKG-UHFFFAOYSA-N -1 3 451.670 4.749 20 0 JJADHM Cc1ncsc1-c1nc2ccccc2n1CC(=O)Nc1c([O-])ccc(Br)c1C ZINC001450228849 1067061741 /nfs/dbraw/zinc/06/17/41/1067061741.db2.gz SALUFDMEZJNWOS-UHFFFAOYSA-N -1 3 457.353 4.883 20 0 JJADHM C[C@@H](NC(=O)c1c[n-]c2ccc(I)cc2c1=O)c1cccc(C2CC2)c1 ZINC001450248101 1067063866 /nfs/dbraw/zinc/06/38/66/1067063866.db2.gz OZBCJUXXROFVMO-GFCCVEGCSA-N -1 3 458.299 4.501 20 0 JJADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(CCc2cccc(F)c2)C2CCCC2)c1 ZINC001545775376 1067068733 /nfs/dbraw/zinc/06/87/33/1067068733.db2.gz WIKMWVUCGTYWRG-UHFFFAOYSA-N -1 3 451.498 4.708 20 0 JJADHM COc1cc2[n-]cc(C(=O)N3CCCCC[C@@H]3Cc3ccccc3Cl)c(=O)c2c(OC)c1 ZINC001450400138 1067075911 /nfs/dbraw/zinc/07/59/11/1067075911.db2.gz XNLMPDITYUYUNT-QGZVFWFLSA-N -1 3 454.954 4.826 20 0 JJADHM CC[C@H](CSc1ccccc1)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC001546023539 1067085295 /nfs/dbraw/zinc/08/52/95/1067085295.db2.gz HHUAQXYLSYCTTN-MRXNPFEDSA-N -1 3 455.605 4.639 20 0 JJADHM CC(C)Oc1ccc([C@H](CNC(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])N(C)C)cc1 ZINC001450543117 1067089191 /nfs/dbraw/zinc/08/91/91/1067089191.db2.gz MGQMUMXFCBMZOW-QHCPKHFHSA-N -1 3 450.583 4.521 20 0 JJADHM CC(=O)c1cccc(NC(=O)c2sc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C)c1[O-] ZINC001450594192 1067092839 /nfs/dbraw/zinc/09/28/39/1067092839.db2.gz FISPYYAITSPNIL-UHFFFAOYSA-N -1 3 459.568 4.727 20 0 JJADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N[C@H](C)c3ccc(Cl)cc3)c2)c1 ZINC001451035121 1067141268 /nfs/dbraw/zinc/14/12/68/1067141268.db2.gz VVIPLURRRHTIIR-CQSZACIVSA-N -1 3 454.910 4.806 20 0 JJADHM CN(C[C@@H](O)c1ccccc1Br)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001451472838 1067174004 /nfs/dbraw/zinc/17/40/04/1067174004.db2.gz NUQBMEXMOUJMAI-HSZRJFAPSA-N -1 3 454.364 4.746 20 0 JJADHM CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001452107407 1067207734 /nfs/dbraw/zinc/20/77/34/1067207734.db2.gz ZAAHKEBTEIRMDH-GOSISDBHSA-N -1 3 458.559 4.596 20 0 JJADHM CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001452107407 1067207740 /nfs/dbraw/zinc/20/77/40/1067207740.db2.gz ZAAHKEBTEIRMDH-GOSISDBHSA-N -1 3 458.559 4.596 20 0 JJADHM CC(C)[C@H](Sc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1)C(=O)NC1CCCCCC1 ZINC001459178061 1067265999 /nfs/dbraw/zinc/26/59/99/1067265999.db2.gz BLEIGJPRQLBTIL-FQEVSTJZSA-N -1 3 453.612 4.536 20 0 JJADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCCSc2ccc(Br)cc21 ZINC001453674722 1067321214 /nfs/dbraw/zinc/32/12/14/1067321214.db2.gz PIHWUEONOHGMCJ-AWEZNQCLSA-N -1 3 450.402 4.908 20 0 JJADHM COC(=O)c1sc2[n-]c(CN(Cc3ccc(Cl)cc3)c3ccccc3)nc(=O)c2c1C ZINC001459708714 1067390212 /nfs/dbraw/zinc/39/02/12/1067390212.db2.gz XPKSAZFQSUMEMQ-UHFFFAOYSA-N -1 3 453.951 4.940 20 0 JJADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3sc4cc(C)ccc4c3Cl)c2)[n-]1 ZINC001459714552 1067393001 /nfs/dbraw/zinc/39/30/01/1067393001.db2.gz RMEKJMIWGFQFHJ-UHFFFAOYSA-N -1 3 454.939 4.755 20 0 JJADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3sc4cc(C)ccc4c3Cl)c2)n[n-]1 ZINC001459714552 1067393013 /nfs/dbraw/zinc/39/30/13/1067393013.db2.gz RMEKJMIWGFQFHJ-UHFFFAOYSA-N -1 3 454.939 4.755 20 0 JJADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccn2)c(Cl)cc1Cl ZINC001460002728 1067522395 /nfs/dbraw/zinc/52/23/95/1067522395.db2.gz PDLCIEWMAFTLHT-JTQLQIEISA-N -1 3 450.775 4.761 20 0 JJADHM COc1ccccc1-c1nnc([N-]C(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)s1 ZINC001460273963 1067595698 /nfs/dbraw/zinc/59/56/98/1067595698.db2.gz VAMVGXMCPKNWMY-UHFFFAOYSA-N -1 3 459.453 4.979 20 0 JJADHM Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001460652267 1067688047 /nfs/dbraw/zinc/68/80/47/1067688047.db2.gz OWTYTURAHKNSQH-CABCVRRESA-N -1 3 453.892 4.648 20 0 JJADHM COc1cccc(CNCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1OC(C)C ZINC001461346052 1067835232 /nfs/dbraw/zinc/83/52/32/1067835232.db2.gz OTQAUQSXHKOXCQ-UHFFFAOYSA-N -1 3 458.555 4.712 20 0 JJADHM Cc1csc(C[N-]S(=O)(=O)c2ccc(Oc3ccc(F)cc3)c(Br)c2)n1 ZINC001462781020 1068166545 /nfs/dbraw/zinc/16/65/45/1068166545.db2.gz ZVFXMXBYZYZMEQ-UHFFFAOYSA-N -1 3 457.346 4.624 20 0 JJADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CCCSc1ccccc1 ZINC001462793323 1068169019 /nfs/dbraw/zinc/16/90/19/1068169019.db2.gz KCNOJISKVYLRNG-UHFFFAOYSA-N -1 3 450.807 4.572 20 0 JJADHM CC(C)(C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1cccc(Br)c1 ZINC001462982618 1068238811 /nfs/dbraw/zinc/23/88/11/1068238811.db2.gz UBKHFVZRFAQBBV-UHFFFAOYSA-N -1 3 451.411 4.829 20 0 JJADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)c(Cl)c2Cl)c1 ZINC001463052671 1068266821 /nfs/dbraw/zinc/26/68/21/1068266821.db2.gz AKELVEIEVRVYNZ-VIFPVBQESA-N -1 3 454.734 4.920 20 0 JJADHM CCCCCC[C@@](C)([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)OCC ZINC001463052241 1068266902 /nfs/dbraw/zinc/26/69/02/1068266902.db2.gz BOSNJQLOGUCRMB-QGZVFWFLSA-N -1 3 454.814 4.673 20 0 JJADHM Cc1cc(S(=O)(=O)[N-][C@H](COc2ccccc2F)C(C)(C)C)sc1Br ZINC001463062252 1068271583 /nfs/dbraw/zinc/27/15/83/1068271583.db2.gz CGOBQCCZSFRENO-CQSZACIVSA-N -1 3 450.395 4.730 20 0 JJADHM Cc1cc(S(=O)(=O)[N-][C@@H](COc2ccccc2F)C(C)(C)C)sc1Br ZINC001463062247 1068271658 /nfs/dbraw/zinc/27/16/58/1068271658.db2.gz CGOBQCCZSFRENO-AWEZNQCLSA-N -1 3 450.395 4.730 20 0 JJADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H](COc1ccccc1F)C(C)(C)C ZINC001463063425 1068272053 /nfs/dbraw/zinc/27/20/53/1068272053.db2.gz IHWFHSOXBQLETK-AWEZNQCLSA-N -1 3 450.395 4.730 20 0 JJADHM Cc1cc(S(=O)(=O)[N-]Cc2ccnc(O[C@@H](C)CC(C)C)c2)c(F)cc1Br ZINC001463110661 1068290560 /nfs/dbraw/zinc/29/05/60/1068290560.db2.gz JZTWIWQTMPJWEH-AWEZNQCLSA-N -1 3 459.381 4.584 20 0 JJADHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1cnc(-c2ccccc2Br)s1 ZINC001463203847 1068319357 /nfs/dbraw/zinc/31/93/57/1068319357.db2.gz QZOPWNSTVGVVIL-UHFFFAOYSA-N -1 3 458.316 4.673 20 0 JJADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1c(F)cccc1Cl ZINC001463264605 1068339430 /nfs/dbraw/zinc/33/94/30/1068339430.db2.gz UXGDUXMOVWFZRJ-MRVPVSSYSA-N -1 3 457.148 4.943 20 0 JJADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cc(NC(=O)OC(C)(C)C)ccc3Cl)nc21 ZINC001463316571 1068353624 /nfs/dbraw/zinc/35/36/24/1068353624.db2.gz UGZFCLUYHVSCMV-UHFFFAOYSA-N -1 3 458.902 4.992 20 0 JJADHM CC(C)(C)c1ccc(C2(C[N-]S(=O)(=O)c3cccc(Br)n3)CCCC2)cc1 ZINC001463378339 1068377051 /nfs/dbraw/zinc/37/70/51/1068377051.db2.gz ZFUPGRDONLTYQH-UHFFFAOYSA-N -1 3 451.430 4.932 20 0 JJADHM O=S(=O)([N-]CC1(c2ccc(F)cc2Cl)CC1)c1cccc(Cl)c1Br ZINC001463469249 1068411624 /nfs/dbraw/zinc/41/16/24/1068411624.db2.gz GGCKXXUIHVSDAR-UHFFFAOYSA-N -1 3 453.160 4.905 20 0 JJADHM O=S(=O)([N-]Cc1ccc(C2CCC2)cc1)c1cc(Br)ccc1Br ZINC001463515492 1068426036 /nfs/dbraw/zinc/42/60/36/1068426036.db2.gz VSAHXTZBLVIFLL-UHFFFAOYSA-N -1 3 459.203 4.958 20 0 JJADHM O=S(=O)([N-][C@H](CN1CCCCC1)c1ccccc1)c1c(Cl)cccc1Br ZINC001463521676 1068426688 /nfs/dbraw/zinc/42/66/88/1068426688.db2.gz VIXWOUQDQBNUKT-GOSISDBHSA-N -1 3 457.821 4.608 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H](C)[C@H]3OCCc4sccc43)cc2)cc1 ZINC001463637422 1068477523 /nfs/dbraw/zinc/47/75/23/1068477523.db2.gz YNRJUWFGYWOBIO-OPAMFIHVSA-N -1 3 456.589 4.746 20 0 JJADHM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)Oc1cc(F)cc(F)c1 ZINC001463678201 1068491103 /nfs/dbraw/zinc/49/11/03/1068491103.db2.gz SGWPILULCVOCAV-UHFFFAOYSA-N -1 3 454.720 4.517 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCc3ccccc3F)ccc2C)cc1 ZINC001463692857 1068495954 /nfs/dbraw/zinc/49/59/54/1068495954.db2.gz GUXDONUXNMHPMQ-UHFFFAOYSA-N -1 3 456.539 4.905 20 0 JJADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H](c2ccc(F)c(Cl)c2)C2CC2)c(C)c1Cl ZINC001463729006 1068506482 /nfs/dbraw/zinc/50/64/82/1068506482.db2.gz WROLWWZHCVHMEJ-AWEZNQCLSA-N -1 3 452.356 4.719 20 0 JJADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCC[C@H]1c1ccccc1 ZINC001463770207 1068518513 /nfs/dbraw/zinc/51/85/13/1068518513.db2.gz YGMLWOOOBLOUTE-ZBFHGGJFSA-N -1 3 458.805 4.973 20 0 JJADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C(C)(C)c1cc(Cl)ccc1OC ZINC001463934692 1068570126 /nfs/dbraw/zinc/57/01/26/1068570126.db2.gz YWZVUQWQWKKIHB-UHFFFAOYSA-N -1 3 453.969 4.564 20 0 JJADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C1CCC(F)(F)CC1 ZINC001463973867 1068579845 /nfs/dbraw/zinc/57/98/45/1068579845.db2.gz AJCYHGBTBWUARU-VIFPVBQESA-N -1 3 450.267 4.960 20 0 JJADHM CCC([N-]S(=O)(=O)c1c(Br)cc(C)cc1Br)(C1CC1)C1CC1 ZINC001464078312 1068607731 /nfs/dbraw/zinc/60/77/31/1068607731.db2.gz HSLJVPAXOPYUPX-UHFFFAOYSA-N -1 3 451.224 4.767 20 0 JJADHM CCCOc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)c1 ZINC001464098276 1068614572 /nfs/dbraw/zinc/61/45/72/1068614572.db2.gz CAPRABHJLYHEGI-UHFFFAOYSA-N -1 3 454.548 4.846 20 0 JJADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)Cc3csc4ccccc34)cs2)c1 ZINC001464154259 1068635771 /nfs/dbraw/zinc/63/57/71/1068635771.db2.gz XPFPNGIDYUJPHB-UHFFFAOYSA-N -1 3 451.573 4.825 20 0 JJADHM CCCOc1ccc([C@H](C)NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)cc1OC ZINC001464207933 1068658072 /nfs/dbraw/zinc/65/80/72/1068658072.db2.gz BFKDSQWGMVTUBF-ZDUSSCGKSA-N -1 3 459.340 4.579 20 0 JJADHM O=S(=O)([N-]CCc1c2ccccc2[nH]c1C(F)(F)F)c1c2ncsc2ccc1Cl ZINC001464242601 1068672813 /nfs/dbraw/zinc/67/28/13/1068672813.db2.gz WICBMWZWKLZFCJ-UHFFFAOYSA-N -1 3 459.902 4.971 20 0 JJADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccccc3C(=O)c3ccc(OC)cc3)c2)n1 ZINC001464243383 1068673512 /nfs/dbraw/zinc/67/35/12/1068673512.db2.gz WVBOPWQTVLNCFQ-UHFFFAOYSA-N -1 3 453.498 4.904 20 0 JJADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](CCc2ccccc2)c2ccccn2)s1 ZINC001464258436 1068678470 /nfs/dbraw/zinc/67/84/70/1068678470.db2.gz FBBUUXYTJVVCSX-SFHVURJKSA-N -1 3 451.411 4.866 20 0 JJADHM CC(C)(C)OC(=O)N1C[C@@H](CC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c2ccccc21 ZINC001464264118 1068680720 /nfs/dbraw/zinc/68/07/20/1068680720.db2.gz NYHGSQHMDLVWQS-CQSZACIVSA-N -1 3 454.951 4.686 20 0 JJADHM CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)ccc1Cl ZINC001464331274 1068709241 /nfs/dbraw/zinc/70/92/41/1068709241.db2.gz TVNCGVXMFANIBD-UHFFFAOYSA-N -1 3 450.926 4.628 20 0 JJADHM CC(C)(C)OC(=O)N1CCC(CCCCC[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC001464485703 1068763048 /nfs/dbraw/zinc/76/30/48/1068763048.db2.gz UZERQYCSJOGTSN-UHFFFAOYSA-N -1 3 451.054 4.887 20 0 JJADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C(C)(C)c1ccc(F)cc1F ZINC001464533939 1068774407 /nfs/dbraw/zinc/77/44/07/1068774407.db2.gz WFIHQHBKUHKULI-UHFFFAOYSA-N -1 3 454.720 4.603 20 0 JJADHM C[C@@H]([N-]S(=O)(=O)c1oc2ccccc2c1Br)c1cc(Cl)cc2c1OCC2 ZINC001464630170 1068804129 /nfs/dbraw/zinc/80/41/29/1068804129.db2.gz FVZYHQPFTSGVGP-SNVBAGLBSA-N -1 3 456.745 4.823 20 0 JJADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](C)c1ccccc1Oc1ccccc1 ZINC001464661825 1068815901 /nfs/dbraw/zinc/81/59/01/1068815901.db2.gz OEUHFPWWUIWYHZ-SFHVURJKSA-N -1 3 454.530 4.743 20 0 JJADHM COc1ccc([C@H](NC(=O)c2cc(NC(C)=O)ccc2[O-])c2ccc(C(F)(F)F)cc2)cc1 ZINC001546148869 1068833582 /nfs/dbraw/zinc/83/35/82/1068833582.db2.gz JGLOQWXUUJTSRN-JOCHJYFZSA-N -1 3 458.436 4.897 20 0 JJADHM C[C@@H](CO[N-]C(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1)NC(=O)OC(C)(C)C ZINC001545858722 1064266887 /nfs/dbraw/zinc/26/68/87/1064266887.db2.gz WBNSILVHPYRGPF-INIZCTEOSA-N -1 3 455.530 4.868 20 0 JJADHM COC(=O)c1cc(C(=O)[N-]c2nc(C3CC3)c(Cc3cccc(C(F)(F)F)c3)s2)no1 ZINC001434969893 1064385000 /nfs/dbraw/zinc/38/50/00/1064385000.db2.gz ZZFKSALKBDIQGY-UHFFFAOYSA-N -1 3 451.426 4.657 20 0 JJADHM CCCCc1nc(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)c(C(=O)OCC)[n-]1 ZINC001435887210 1065044954 /nfs/dbraw/zinc/04/49/54/1065044954.db2.gz PFLICXDMCYYHDC-UHFFFAOYSA-N -1 3 450.326 4.674 20 0 JJADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3ccc(-c4ccccc4)cc32)ccc1F ZINC001435986322 1065093729 /nfs/dbraw/zinc/09/37/29/1065093729.db2.gz KDUGUGGJGVTJCA-HSZRJFAPSA-N -1 3 452.551 4.597 20 0 JJADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)c3cccc(C(C)(C)C)c3)c2)cc1 ZINC001360285149 1065124216 /nfs/dbraw/zinc/12/42/16/1065124216.db2.gz XRBUDGDHYSVSKW-UHFFFAOYSA-N -1 3 452.576 4.724 20 0 JJADHM Cc1ccc(-c2ccc(Cl)cc2NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)o1 ZINC001436158663 1065221101 /nfs/dbraw/zinc/22/11/01/1065221101.db2.gz VZNTVUWIRVBMBY-UHFFFAOYSA-N -1 3 450.919 4.987 20 0 JJADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)ccc1F ZINC001436860898 1065454677 /nfs/dbraw/zinc/45/46/77/1065454677.db2.gz VAWMPTGIMBCLPF-QAPCUYQASA-N -1 3 452.979 4.622 20 0 JJADHM O=C([N-]c1nn(CC(F)(F)F)cc1Br)c1sc(Cl)nc1C(F)(F)F ZINC001436862314 1065454731 /nfs/dbraw/zinc/45/47/31/1065454731.db2.gz AQUIHQOVYLWIPC-UHFFFAOYSA-N -1 3 457.581 4.589 20 0 JJADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)c3cc(C)c(C)cc3Cl)c2)cc1 ZINC001360517502 1065481026 /nfs/dbraw/zinc/48/10/26/1065481026.db2.gz IINIAQNDRHMTFL-UHFFFAOYSA-N -1 3 458.967 4.696 20 0 JJADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3c2OCC3)c(Cl)cc1Cl ZINC001437741237 1065598470 /nfs/dbraw/zinc/59/84/70/1065598470.db2.gz ZLVRFPINEPHBIX-GFCCVEGCSA-N -1 3 457.379 4.648 20 0 JJADHM C[C@@H](C(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 ZINC001438033838 1065656828 /nfs/dbraw/zinc/65/68/28/1065656828.db2.gz UKBHHHPHVKDFNM-SNVBAGLBSA-N -1 3 458.754 4.945 20 0 JJADHM C[C@@H](C(=O)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 ZINC001438033838 1065656834 /nfs/dbraw/zinc/65/68/34/1065656834.db2.gz UKBHHHPHVKDFNM-SNVBAGLBSA-N -1 3 458.754 4.945 20 0 JJADHM C[C@H](C(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 ZINC001438033830 1065656918 /nfs/dbraw/zinc/65/69/18/1065656918.db2.gz UKBHHHPHVKDFNM-JTQLQIEISA-N -1 3 458.754 4.945 20 0 JJADHM C[C@H](C(=O)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 ZINC001438033830 1065656924 /nfs/dbraw/zinc/65/69/24/1065656924.db2.gz UKBHHHPHVKDFNM-JTQLQIEISA-N -1 3 458.754 4.945 20 0 JJADHM CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1 ZINC001440535080 1065948591 /nfs/dbraw/zinc/94/85/91/1065948591.db2.gz HBERXXSTMWYIEO-UHFFFAOYSA-N -1 3 452.576 4.507 20 0 JJADHM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1c(F)ccnc1F ZINC001440568140 1065950554 /nfs/dbraw/zinc/95/05/54/1065950554.db2.gz ZUJCNMGHCIOEPL-UHFFFAOYSA-N -1 3 458.273 4.720 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(C)c(C(C)=O)c3)ccc2C)cc1 ZINC001440569870 1065951308 /nfs/dbraw/zinc/95/13/08/1065951308.db2.gz ZBAWLJCUAHKCKA-UHFFFAOYSA-N -1 3 452.532 4.568 20 0 JJADHM COc1ccc(NC(=O)/C=C\c2ccncc2C)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC001440592527 1065952427 /nfs/dbraw/zinc/95/24/27/1065952427.db2.gz FTLRTYNRYDJZIU-YFHOEESVSA-N -1 3 457.939 4.505 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(C)cc(Cl)n3)ccc2C)cc1 ZINC001440599437 1065953804 /nfs/dbraw/zinc/95/38/04/1065953804.db2.gz YAHCQIMQXKSPFO-UHFFFAOYSA-N -1 3 459.955 4.804 20 0 JJADHM CCCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC001440882674 1065988783 /nfs/dbraw/zinc/98/87/83/1065988783.db2.gz PUVQSCRMIQVLCL-UHFFFAOYSA-N -1 3 452.576 4.857 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](c3ccccc3)C3CC3)ccc2C)cc1 ZINC001441014378 1066000391 /nfs/dbraw/zinc/00/03/91/1066000391.db2.gz UPKCGEIHCFODSD-DEOSSOPVSA-N -1 3 450.560 4.686 20 0 JJADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)c1 ZINC001441131548 1066010195 /nfs/dbraw/zinc/01/01/95/1066010195.db2.gz PTYUWCJWVWERKB-UHFFFAOYSA-N -1 3 459.424 4.765 20 0 JJADHM COc1ccc(Cl)cc1CN1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC001441171516 1066011043 /nfs/dbraw/zinc/01/10/43/1066011043.db2.gz JPOHJVWWBDARQS-UHFFFAOYSA-N -1 3 452.938 4.805 20 0 JJADHM C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)C1 ZINC001441319796 1066027516 /nfs/dbraw/zinc/02/75/16/1066027516.db2.gz ZOJLGPKCUZEAFM-GJZGRUSLSA-N -1 3 458.584 4.861 20 0 JJADHM CN1C(=O)C[C@@H](C(=O)Nc2ccc(Br)cc2[O-])[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001441339087 1066030516 /nfs/dbraw/zinc/03/05/16/1066030516.db2.gz GNMVTQDQWQNZQT-PIGZYNQJSA-N -1 3 458.139 4.620 20 0 JJADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1 ZINC001441614499 1066054221 /nfs/dbraw/zinc/05/42/21/1066054221.db2.gz VUYWMVFQQXROTP-UHFFFAOYSA-N -1 3 456.905 4.589 20 0 JJADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(Cc3cccc(Cl)c3)CCCC2)cc1OC ZINC001441892194 1066079098 /nfs/dbraw/zinc/07/90/98/1066079098.db2.gz NWGZRZYBRCSLTN-UHFFFAOYSA-N -1 3 450.988 4.852 20 0 JJADHM CN(c1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1F)C1CCCCC1 ZINC001441914191 1066080519 /nfs/dbraw/zinc/08/05/19/1066080519.db2.gz IAACWGZNIDQSNN-UHFFFAOYSA-N -1 3 453.967 4.872 20 0 JJADHM O=C([N-]CC[C@@H]1CN(C(=O)C2(Cc3ccccc3Cl)CC2)c2ccccc21)C(F)(F)F ZINC001454934728 1066343811 /nfs/dbraw/zinc/34/38/11/1066343811.db2.gz RJCSRSBPUROOLP-MRXNPFEDSA-N -1 3 450.888 4.862 20 0 JJADHM CC(C)(C)OC(=O)N1CC(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])(c2ccccc2)C1 ZINC001455140767 1066365240 /nfs/dbraw/zinc/36/52/40/1066365240.db2.gz PDUHXAZESZGIHV-UHFFFAOYSA-N -1 3 458.558 4.859 20 0 JJADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](c2ccccc2Cl)C1(C)C ZINC001455206343 1066370194 /nfs/dbraw/zinc/37/01/94/1066370194.db2.gz WAZAZFGVBJFJDB-HXUWFJFHSA-N -1 3 450.970 4.521 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CC[C@@H]4CCC[C@@H]4C3)ccc2C)cc1 ZINC001444037399 1066397185 /nfs/dbraw/zinc/39/71/85/1066397185.db2.gz UIJHXXWVFVDBIT-NNMXDRDESA-N -1 3 456.608 4.893 20 0 JJADHM Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)c3ccccc3Nc3ccc(Cl)c(Cl)c3)C2)n1 ZINC001455751226 1066428324 /nfs/dbraw/zinc/42/83/24/1066428324.db2.gz DTAMIFHVBZGOPZ-OAHLLOKOSA-N -1 3 458.349 4.550 20 0 JJADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC001444496464 1066467516 /nfs/dbraw/zinc/46/75/16/1066467516.db2.gz ASYIQXAZAYCUJH-UTKZUKDTSA-N -1 3 451.592 4.800 20 0 JJADHM O=C(NC1(c2ncc(Br)cn2)CCC1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001456103996 1066510464 /nfs/dbraw/zinc/51/04/64/1066510464.db2.gz LXOFAOKITZMOAR-UHFFFAOYSA-N -1 3 452.352 4.539 20 0 JJADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC001444970621 1066524371 /nfs/dbraw/zinc/52/43/71/1066524371.db2.gz KKISATQTWYQFOE-WAIKUNEKSA-N -1 3 456.514 4.989 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H]3C[C@H]3C3CCCCC3)ccc2C)cc1 ZINC001444972462 1066525184 /nfs/dbraw/zinc/52/51/84/1066525184.db2.gz FWQQJYHJGYUZHN-GOTSBHOMSA-N -1 3 456.608 4.893 20 0 JJADHM O=C([N-]c1nc(/C=C\c2ccccc2)cs1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC001456284207 1066555320 /nfs/dbraw/zinc/55/53/20/1066555320.db2.gz WYGJCIKWYJGIDT-KTKRTIGZSA-N -1 3 459.618 4.802 20 0 JJADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001445371437 1066563939 /nfs/dbraw/zinc/56/39/39/1066563939.db2.gz AICKXHIXRMVFBP-AZUAARDMSA-N -1 3 452.551 4.720 20 0 JJADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001445378130 1066565061 /nfs/dbraw/zinc/56/50/61/1066565061.db2.gz OIZOISUXGJHLSX-GHTZIAJQSA-N -1 3 452.551 4.720 20 0 JJADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)[C@@H]3CC[C@H]4CCCC[C@@H]4C3)c2)cc1 ZINC001456414885 1066581473 /nfs/dbraw/zinc/58/14/73/1066581473.db2.gz RVBSTFNMTYRBCN-NJDAHSKKSA-N -1 3 456.608 4.719 20 0 JJADHM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1-c1ncco1 ZINC001445568780 1066589012 /nfs/dbraw/zinc/58/90/12/1066589012.db2.gz PUODIBPLHIIBBM-UHFFFAOYSA-N -1 3 451.479 4.842 20 0 JJADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NCC[C@@H]3C[C@H]3Cc3ccccc3)c2)c1 ZINC001456800713 1066693691 /nfs/dbraw/zinc/69/36/91/1066693691.db2.gz NYJUTWJKHMJMBI-WOJBJXKFSA-N -1 3 474.557 4.660 20 0 JJADHM CCc1ncsc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC001446379466 1066698462 /nfs/dbraw/zinc/69/84/62/1066698462.db2.gz YXYMIQVHZZMVNE-UHFFFAOYSA-N -1 3 453.948 4.860 20 0 JJADHM CCn1c2ccc(C)cc2nc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001446808955 1066743503 /nfs/dbraw/zinc/74/35/03/1066743503.db2.gz VECLRFZOTCWASY-UHFFFAOYSA-N -1 3 452.511 4.557 20 0 JJADHM COc1cc(CNC(=O)c2c(C)cccc2[O-])cc(Br)c1OCc1ccccc1 ZINC001447100885 1066772755 /nfs/dbraw/zinc/77/27/55/1066772755.db2.gz FGSWMTASDYFIHV-UHFFFAOYSA-N -1 3 456.336 4.981 20 0 JJADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)ccc1F ZINC001457160928 1066776186 /nfs/dbraw/zinc/77/61/86/1066776186.db2.gz TWLXIQRSXWDEFP-UHFFFAOYSA-N -1 3 456.514 4.521 20 0 JJADHM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]1)CCC2 ZINC001447232820 1066783940 /nfs/dbraw/zinc/78/39/40/1066783940.db2.gz NBMRTBHADWHQNI-OAQYLSRUSA-N -1 3 455.555 4.885 20 0 JJADHM CC(C)(C)OC(=O)N1Cc2sc(C(=O)Nc3cc(F)ccc3[O-])c(Br)c2C1 ZINC001447287151 1066788032 /nfs/dbraw/zinc/78/80/32/1066788032.db2.gz JLFMTRYFDZCMKY-UHFFFAOYSA-N -1 3 457.321 4.858 20 0 JJADHM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1cc(Cl)ccc1F ZINC001447335775 1066795515 /nfs/dbraw/zinc/79/55/15/1066795515.db2.gz RMNMZMGEGMQJSX-CYBMUJFWSA-N -1 3 450.894 4.910 20 0 JJADHM CC(C)c1ccc2c(c1)CCN(C(=O)c1ccc(S(=O)(=O)[N-]c3ccccc3F)cc1)C2 ZINC001457370032 1066818312 /nfs/dbraw/zinc/81/83/12/1066818312.db2.gz DJCVFANESSXCMT-UHFFFAOYSA-N -1 3 452.551 4.948 20 0 JJADHM COC(=O)c1csc(-c2cccc(CNC(=O)c3cc(Cc4ccccc4)ccc3[O-])c2)n1 ZINC001447679768 1066840457 /nfs/dbraw/zinc/84/04/57/1066840457.db2.gz BFOMFYUFFNHFBK-UHFFFAOYSA-N -1 3 458.539 4.823 20 0 JJADHM CCN(CC)[C@@H](CNC(=O)c1cc(Cl)cc(Br)c1[O-])c1cccc(OC)c1 ZINC001457512730 1066847209 /nfs/dbraw/zinc/84/72/09/1066847209.db2.gz FULBWHWFIMEMLB-SFHVURJKSA-N -1 3 455.780 4.630 20 0 JJADHM COc1cccc2c(C(=O)Nc3ccc(C)c(S(=O)(=O)[N-]c4ccccc4F)c3)coc21 ZINC001457563940 1066862820 /nfs/dbraw/zinc/86/28/20/1066862820.db2.gz CARYCXGSDXCUPM-UHFFFAOYSA-N -1 3 454.479 4.942 20 0 JJADHM Cc1nc(CC2CC2)sc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001457583212 1066870740 /nfs/dbraw/zinc/87/07/40/1066870740.db2.gz XXHFMTHOSJGCNV-UHFFFAOYSA-N -1 3 459.568 4.905 20 0 JJADHM Cc1ccc(SC[C@@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1 ZINC001447865404 1066871607 /nfs/dbraw/zinc/87/16/07/1066871607.db2.gz ILGMPNOFUNHQJP-QGZVFWFLSA-N -1 3 458.580 4.846 20 0 JJADHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)C1(Cc2cccc(Cl)c2)CCCCC1 ZINC001457615259 1066879164 /nfs/dbraw/zinc/87/91/64/1066879164.db2.gz DGXSPKCAIDOOEW-UHFFFAOYSA-N -1 3 452.979 4.660 20 0 JJADHM Cc1ccc(-c2nc(NC(=O)CC3(CNC(=O)OCc4ccccc4)CCCCC3)n[n-]2)o1 ZINC001457691527 1066898194 /nfs/dbraw/zinc/89/81/94/1066898194.db2.gz RXFKTQIAXIWRAO-UHFFFAOYSA-N -1 3 451.527 4.579 20 0 JJADHM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC001546004422 1066917095 /nfs/dbraw/zinc/91/70/95/1066917095.db2.gz CMZUULCZINPXGE-HOTGVXAUSA-N -1 3 455.780 4.610 20 0 JJADHM Cc1cc(C)c(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)cc1I ZINC001457777669 1066917475 /nfs/dbraw/zinc/91/74/75/1066917475.db2.gz DSARWSBBUHHPPQ-UHFFFAOYSA-N -1 3 458.259 4.692 20 0 JJADHM Cc1cc(C)c(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1I ZINC001457777669 1066917488 /nfs/dbraw/zinc/91/74/88/1066917488.db2.gz DSARWSBBUHHPPQ-UHFFFAOYSA-N -1 3 458.259 4.692 20 0 JJADHM CC[C@@H](C)[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C)C(F)(F)F ZINC001448553680 1066938830 /nfs/dbraw/zinc/93/88/30/1066938830.db2.gz QZIDWDSGBFIJIW-YJYMSZOUSA-N -1 3 458.502 4.511 20 0 JJADHM O=C(NC[C@@H]1CCN1C1CCCCC1)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC001457932349 1066942787 /nfs/dbraw/zinc/94/27/87/1066942787.db2.gz FEJCMHKLVAPSGK-ZDUSSCGKSA-N -1 3 457.789 4.675 20 0 JJADHM Cc1cc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])ccc1I ZINC001448680017 1066950053 /nfs/dbraw/zinc/95/00/53/1066950053.db2.gz CAXZJVYULJHDDH-UHFFFAOYSA-N -1 3 457.311 4.826 20 0 JJADHM CCOC(=O)c1nc(C2CCN(C(=O)c3ccc(-c4ccc(C(C)(C)C)cc4)o3)CC2)n[n-]1 ZINC001448686168 1066950860 /nfs/dbraw/zinc/95/08/60/1066950860.db2.gz VDXHZXPSGSRAKO-UHFFFAOYSA-N -1 3 450.539 4.559 20 0 JJADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3ccc(-c4ccc(C(C)(C)C)cc4)o3)CC2)[n-]1 ZINC001448686168 1066950868 /nfs/dbraw/zinc/95/08/68/1066950868.db2.gz VDXHZXPSGSRAKO-UHFFFAOYSA-N -1 3 450.539 4.559 20 0 JJADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(-c3ccc(F)cc3)cc2)ccc1F ZINC001458056525 1066962970 /nfs/dbraw/zinc/96/29/70/1066962970.db2.gz OXGUKUOQPRKLFY-INIZCTEOSA-N -1 3 458.530 4.810 20 0 JJADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3nc4cc(F)c(C)cc4s3)cs2)c1 ZINC001448871177 1066965889 /nfs/dbraw/zinc/96/58/89/1066965889.db2.gz XPFKKDJUHGFNAI-UHFFFAOYSA-N -1 3 456.524 4.648 20 0 JJADHM CC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc2Cl)cc1C ZINC001450704888 1067108088 /nfs/dbraw/zinc/10/80/88/1067108088.db2.gz BQAGAWYHOAWTGC-UHFFFAOYSA-N -1 3 457.379 4.691 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3C[C@H]3c3ccccc3F)ccc2C)cc1 ZINC001451101721 1067146019 /nfs/dbraw/zinc/14/60/19/1067146019.db2.gz AUZFIICFLOBPDO-JTHBVZDNSA-N -1 3 468.550 4.620 20 0 JJADHM CCSCc1cc(C(=O)[N-]c2sc3c(c2C(=O)c2ccc(C)cc2)CCN(C)C3)no1 ZINC001458832585 1067161901 /nfs/dbraw/zinc/16/19/01/1067161901.db2.gz BSWDNZHDUSIKLJ-UHFFFAOYSA-N -1 3 455.605 4.769 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H]3CCC[C@H]3C3CC3)c2)cc1 ZINC001451463078 1067173348 /nfs/dbraw/zinc/17/33/48/1067173348.db2.gz NFOFVQHNTXXGQP-CVDCTZTESA-N -1 3 456.608 4.751 20 0 JJADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(Cl)cc2)s1 ZINC001451928421 1067199163 /nfs/dbraw/zinc/19/91/63/1067199163.db2.gz YZVAVGWVJNIJDI-QGZVFWFLSA-N -1 3 459.959 4.655 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(C(C)=O)c3)ccc2C)cc1 ZINC001452494734 1067228263 /nfs/dbraw/zinc/22/82/63/1067228263.db2.gz QGVXPZKHOFCNKN-UHFFFAOYSA-N -1 3 452.532 4.568 20 0 JJADHM CN(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl)c1ccc(Cl)nc1 ZINC001459682772 1067382194 /nfs/dbraw/zinc/38/21/94/1067382194.db2.gz QPECHBHMALVNPK-UHFFFAOYSA-N -1 3 454.310 4.605 20 0 JJADHM COC(=O)c1sc2[n-]c(CN(Cc3ccccc3F)c3ccc(F)cc3)nc(=O)c2c1C ZINC001459707330 1067389919 /nfs/dbraw/zinc/38/99/19/1067389919.db2.gz OLACLBAUDXLZPI-UHFFFAOYSA-N -1 3 455.486 4.565 20 0 JJADHM O=C([N-][C@@H]1CN(Cc2cccc(OCC(F)(F)F)c2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001460456387 1067637501 /nfs/dbraw/zinc/63/75/01/1067637501.db2.gz AFFAKTVKPSQSQE-RTBURBONSA-N -1 3 460.418 4.664 20 0 JJADHM O=C([N-][C@@H]1CN(C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001460472477 1067639954 /nfs/dbraw/zinc/63/99/54/1067639954.db2.gz PTUSRQCUCCWORK-QEUVDIPISA-N -1 3 486.456 4.705 20 0 JJADHM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CN1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001460667292 1067694083 /nfs/dbraw/zinc/69/40/83/1067694083.db2.gz RBFLHROULWONNI-QGZVFWFLSA-N -1 3 451.436 4.780 20 0 JJADHM CC(C)Sc1cccc(Cl)c1CNCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1 ZINC001461650947 1067910140 /nfs/dbraw/zinc/91/01/40/1067910140.db2.gz XZMXXXAONXLPTM-UHFFFAOYSA-N -1 3 453.008 4.651 20 0 JJADHM CC(C)(C)OC(=O)[C@](C)([N-]C(=O)C(F)(F)c1cccc(Br)c1)c1ccccc1 ZINC001461871815 1067951768 /nfs/dbraw/zinc/95/17/68/1067951768.db2.gz PLSZOBGAOXXMDA-HXUWFJFHSA-N -1 3 454.311 4.914 20 0 JJADHM CCOc1cc(CNc2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(Cl)c1[O-] ZINC001462055908 1067992833 /nfs/dbraw/zinc/99/28/33/1067992833.db2.gz XXPFLEZKEHGIML-UHFFFAOYSA-N -1 3 450.967 4.825 20 0 JJADHM COCc1ccccc1/C=C(/C)CN1CC[C@@H](c2cccc(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001462412934 1068069414 /nfs/dbraw/zinc/06/94/14/1068069414.db2.gz HIVLMMQAQFIRIY-JLWUKTJBSA-N -1 3 464.503 4.912 20 0 JJADHM O=S(=O)([N-][C@@H](COc1ccccc1F)c1ccccc1)c1ccc(Br)s1 ZINC001462843704 1068187434 /nfs/dbraw/zinc/18/74/34/1068187434.db2.gz JCQJSDLORCUTOY-HNNXBMFYSA-N -1 3 456.358 4.748 20 0 JJADHM CC(C)(C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(Br)cc1 ZINC001462846636 1068188773 /nfs/dbraw/zinc/18/87/73/1068188773.db2.gz NSLXEKPBTODYGM-UHFFFAOYSA-N -1 3 454.283 4.863 20 0 JJADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccc(Br)cc1F)c1cc(F)cc(F)c1 ZINC001462866593 1068196159 /nfs/dbraw/zinc/19/61/59/1068196159.db2.gz CJASRMNDNYLWCL-IBGZPJMESA-N -1 3 456.283 4.934 20 0 JJADHM CCOC(=O)c1oc([N-]C(=O)c2c(F)ccc(SCC3CC3)c2F)nc1C(F)(F)F ZINC001462907493 1068211105 /nfs/dbraw/zinc/21/11/05/1068211105.db2.gz XAUZUSWJAKBAIN-UHFFFAOYSA-N -1 3 450.385 4.903 20 0 JJADHM CC[C@@H]([N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)c1nc(-c2ccccc2)c[nH]1 ZINC001462987817 1068241039 /nfs/dbraw/zinc/24/10/39/1068241039.db2.gz YBVNQHBWGFTMLN-MRXNPFEDSA-N -1 3 455.561 4.508 20 0 JJADHM CC(C)(C[N-]S(=O)(=O)c1cc(F)ccc1Br)c1cccc(C(F)(F)F)c1 ZINC001463006420 1068247580 /nfs/dbraw/zinc/24/75/80/1068247580.db2.gz HSMGAGQOMZATAD-UHFFFAOYSA-N -1 3 454.283 4.863 20 0 JJADHM CC(C)(Cc1ccc(Br)cc1)[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001463011998 1068250308 /nfs/dbraw/zinc/25/03/08/1068250308.db2.gz WDMRRZHBXFEYDO-UHFFFAOYSA-N -1 3 451.411 4.872 20 0 JJADHM Cc1ccc([C@@H]2OCCC[C@H]2C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)cc1 ZINC001463186426 1068314126 /nfs/dbraw/zinc/31/41/26/1068314126.db2.gz PIRKHICAVXSIGV-KXBFYZLASA-N -1 3 458.805 4.857 20 0 JJADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC2(Sc3ccc(C)cc3)CCCC2)c1 ZINC001463233355 1068329389 /nfs/dbraw/zinc/32/93/89/1068329389.db2.gz LGDOWNVTKGQZMT-UHFFFAOYSA-N -1 3 451.585 4.694 20 0 JJADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cc(C)nc4cc(Br)ccc43)nc21 ZINC001463313785 1068352733 /nfs/dbraw/zinc/35/27/33/1068352733.db2.gz MOFAVVUBFCGOTQ-UHFFFAOYSA-N -1 3 453.296 4.611 20 0 JJADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccc(Cl)c(F)c1 ZINC001463353133 1068367983 /nfs/dbraw/zinc/36/79/83/1068367983.db2.gz QRBDAVXGZUOSKC-MRVPVSSYSA-N -1 3 457.148 4.943 20 0 JJADHM O=S(=O)([N-][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1csnc1-c1ccccc1 ZINC001463410902 1068388275 /nfs/dbraw/zinc/38/82/75/1068388275.db2.gz KANFNNDTBKVVLQ-AWEZNQCLSA-N -1 3 454.404 4.674 20 0 JJADHM Cn1cc(-c2csc([N-]C(=O)c3occc3Br)c2C(=O)OC(C)(C)C)cn1 ZINC001463427698 1068393893 /nfs/dbraw/zinc/39/38/93/1068393893.db2.gz YVLWZPBJSXRUCN-UHFFFAOYSA-N -1 3 452.330 4.712 20 0 JJADHM O=S(=O)([N-][C@@H](c1cccc(F)c1)c1ccccn1)c1cc(Cl)ccc1Br ZINC001463449633 1068400869 /nfs/dbraw/zinc/40/08/69/1068400869.db2.gz TYQPMAYXYGSMMY-SFHVURJKSA-N -1 3 455.736 4.705 20 0 JJADHM O=S(=O)([N-][C@H](c1cccc(F)c1)c1ccccn1)c1cc(Cl)ccc1Br ZINC001463449630 1068400993 /nfs/dbraw/zinc/40/09/93/1068400993.db2.gz TYQPMAYXYGSMMY-GOSISDBHSA-N -1 3 455.736 4.705 20 0 JJADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001463532953 1068430988 /nfs/dbraw/zinc/43/09/88/1068430988.db2.gz IYBQRNXUIKDBCJ-UHFFFAOYSA-N -1 3 454.333 4.848 20 0 JJADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2F)C(C)C)c(C)c1Cl ZINC001463557348 1068440898 /nfs/dbraw/zinc/44/08/98/1068440898.db2.gz ZKDWFLIRAULZPP-CQSZACIVSA-N -1 3 454.372 4.965 20 0 JJADHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)n[nH]1 ZINC001463653489 1068482415 /nfs/dbraw/zinc/48/24/15/1068482415.db2.gz XYSJUJWKWBLYNF-GHMZBOCLSA-N -1 3 459.519 4.500 20 0 JJADHM CC[C@@H](C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)[nH]1 ZINC001463653489 1068482420 /nfs/dbraw/zinc/48/24/20/1068482420.db2.gz XYSJUJWKWBLYNF-GHMZBOCLSA-N -1 3 459.519 4.500 20 0 JJADHM CNc1ccc(Cl)c(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)c1 ZINC001463666437 1068488507 /nfs/dbraw/zinc/48/85/07/1068488507.db2.gz PLXGXIGTQUTFKW-UHFFFAOYSA-N -1 3 459.955 4.752 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C\CCc3ccccc3)ccc2C)cc1 ZINC001463668117 1068489157 /nfs/dbraw/zinc/48/91/57/1068489157.db2.gz ZTJROZXCQZFQOC-XFFZJAGNSA-N -1 3 450.560 4.932 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C(C)=C\c3ccncc3)ccc2C)cc1 ZINC001463696145 1068497053 /nfs/dbraw/zinc/49/70/53/1068497053.db2.gz WSMOUEOYUYNFJP-SDXDJHTJSA-N -1 3 451.548 4.632 20 0 JJADHM C[C@H](CCCc1cccnc1)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC001463849102 1068547708 /nfs/dbraw/zinc/54/77/08/1068547708.db2.gz CGBFXHGJPGQTRA-GFCCVEGCSA-N -1 3 451.308 4.553 20 0 JJADHM CC[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC001464052259 1068600913 /nfs/dbraw/zinc/60/09/13/1068600913.db2.gz AJDRTYSEPZAZTI-AWEZNQCLSA-N -1 3 450.757 4.550 20 0 JJADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(F)cc1F)c1csc(-c2cccc(Br)c2)n1 ZINC001464188538 1068648243 /nfs/dbraw/zinc/64/82/43/1068648243.db2.gz PVGZJDZBTYWJIG-GOEBONIOSA-N -1 3 471.348 4.685 20 0 JJADHM O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001464369108 1068721260 /nfs/dbraw/zinc/72/12/60/1068721260.db2.gz HNFBDWYUOSNEFE-UHFFFAOYSA-N -1 3 450.545 4.768 20 0 JJADHM Cc1cccc(NC(=O)COc2ccc(CCNC(=O)c3cc([O-])c4ccccc4c3)cc2)c1 ZINC001464447176 1068748843 /nfs/dbraw/zinc/74/88/43/1068748843.db2.gz CUXSJGZTYVGLTC-UHFFFAOYSA-N -1 3 454.526 4.844 20 0 JJADHM C[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001464675360 1068821028 /nfs/dbraw/zinc/82/10/28/1068821028.db2.gz GMQWEPMCLSPRMU-SIKLNZKXSA-N -1 3 452.595 4.943 20 0 JJADHM C[C@@H](C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1ccc(Br)cc1 ZINC001464682023 1068823729 /nfs/dbraw/zinc/82/37/29/1068823729.db2.gz BMAHONSZDVBQIV-JTQLQIEISA-N -1 3 456.255 4.569 20 0 JJADHM C[C@H](C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1ccc(Br)cc1 ZINC001464682033 1068823937 /nfs/dbraw/zinc/82/39/37/1068823937.db2.gz BMAHONSZDVBQIV-SNVBAGLBSA-N -1 3 456.255 4.569 20 0 JJADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)CCSC)c(Cl)cc1Cl ZINC001435221196 1064601342 /nfs/dbraw/zinc/60/13/42/1064601342.db2.gz MXCNEQWGNRHWDO-QWHCGFSZSA-N -1 3 455.473 4.674 20 0 JJADHM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)o1 ZINC001435311374 1064685008 /nfs/dbraw/zinc/68/50/08/1064685008.db2.gz JEJCMEMPQPAEKZ-DNVCBOLYSA-N -1 3 450.576 4.671 20 0 JJADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(COc3ccccc3)cc2)ccc1F ZINC001435721630 1064955067 /nfs/dbraw/zinc/95/50/67/1064955067.db2.gz WTMXQQDETJRMMT-UHFFFAOYSA-N -1 3 456.539 4.734 20 0 JJADHM CC(C)[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1ccc(Cl)cc1F ZINC001435848576 1065021518 /nfs/dbraw/zinc/02/15/18/1065021518.db2.gz CCTCTCGJQGWJDA-IBGZPJMESA-N -1 3 458.958 4.822 20 0 JJADHM Cc1c(C(=O)[N-]c2nnc(Cc3ccc(C(F)(F)F)cc3)s2)nnn1-c1cccc(C)c1 ZINC001436770256 1065438306 /nfs/dbraw/zinc/43/83/06/1065438306.db2.gz JPFXBQZDSXRUIR-UHFFFAOYSA-N -1 3 458.469 4.598 20 0 JJADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)ccc1F ZINC001436860890 1065454934 /nfs/dbraw/zinc/45/49/34/1065454934.db2.gz VAWMPTGIMBCLPF-MAUKXSAKSA-N -1 3 452.979 4.622 20 0 JJADHM COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc1)CCC2 ZINC001440516493 1065946347 /nfs/dbraw/zinc/94/63/47/1065946347.db2.gz FIKVMCCLOKOOGD-QHCPKHFHSA-N -1 3 450.560 4.863 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3c[nH]nc3-c3ccccc3F)cc2)cc1 ZINC001440521000 1065946703 /nfs/dbraw/zinc/94/67/03/1065946703.db2.gz SAOOXYBJHCBZTP-UHFFFAOYSA-N -1 3 450.495 4.577 20 0 JJADHM CC(C)(C)OC(=O)Nc1ccc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c([O-])c1 ZINC001440677005 1065962900 /nfs/dbraw/zinc/96/29/00/1065962900.db2.gz ARXUMFGLZQIVDG-UHFFFAOYSA-N -1 3 459.974 4.787 20 0 JJADHM Cc1c(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cnn1-c1ccccc1F ZINC001545935431 1065974278 /nfs/dbraw/zinc/97/42/78/1065974278.db2.gz IJVPWTYVTCQEMZ-JOCHJYFZSA-N -1 3 458.493 4.525 20 0 JJADHM CN1C(=O)C[C@@H](C(=O)Nc2ccc(Br)cc2[O-])[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001441339078 1066030533 /nfs/dbraw/zinc/03/05/33/1066030533.db2.gz GNMVTQDQWQNZQT-DIFFPNOSSA-N -1 3 458.139 4.620 20 0 JJADHM O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001441358022 1066033031 /nfs/dbraw/zinc/03/30/31/1066033031.db2.gz QXEAGVCEQKPSHW-QFIPXVFZSA-N -1 3 451.295 4.949 20 0 JJADHM O=C(Nc1cccc(COCCOc2ccccc2)c1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001441678349 1066060438 /nfs/dbraw/zinc/06/04/38/1066060438.db2.gz GJYGBPWINSBPAI-UHFFFAOYSA-N -1 3 450.441 4.654 20 0 JJADHM Cc1cccc(C)c1Oc1ccccc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001442049791 1066087705 /nfs/dbraw/zinc/08/77/05/1066087705.db2.gz MZZIXCLTRIHVCZ-UHFFFAOYSA-N -1 3 450.969 4.728 20 0 JJADHM CCC[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(Cl)c(Cl)c1 ZINC001442391562 1066123057 /nfs/dbraw/zinc/12/30/57/1066123057.db2.gz BQLKRQSOUSBCMD-ZDUSSCGKSA-N -1 3 455.816 4.644 20 0 JJADHM Cc1ccc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)cc1NC(=O)c1ccncc1 ZINC001442472344 1066129297 /nfs/dbraw/zinc/12/92/97/1066129297.db2.gz UPVXPRVLIDSFEI-UHFFFAOYSA-N -1 3 454.486 4.580 20 0 JJADHM Cc1[nH]nc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1-c1ccccc1F ZINC001454290640 1066265706 /nfs/dbraw/zinc/26/57/06/1066265706.db2.gz VUCVXXLLMQCHBP-QFIPXVFZSA-N -1 3 458.493 4.730 20 0 JJADHM O=C(Nc1ccc(Br)cc1-c1nnn[n-]1)c1cccc(OCc2cccs2)c1 ZINC001454411567 1066279893 /nfs/dbraw/zinc/27/98/93/1066279893.db2.gz IOLGLKPSJYZFFV-UHFFFAOYSA-N -1 3 456.325 4.522 20 0 JJADHM O=C(Nc1ccc(Br)cc1-c1nn[n-]n1)c1cccc(OCc2cccs2)c1 ZINC001454411567 1066279904 /nfs/dbraw/zinc/27/99/04/1066279904.db2.gz IOLGLKPSJYZFFV-UHFFFAOYSA-N -1 3 456.325 4.522 20 0 JJADHM O=C(Nc1ccc(Br)cc1-c1nnn[n-]1)c1sc2cc(F)ccc2c1Cl ZINC001454413003 1066280843 /nfs/dbraw/zinc/28/08/43/1066280843.db2.gz OEQLINYATRVBIK-UHFFFAOYSA-N -1 3 452.696 4.889 20 0 JJADHM O=C(Nc1ccc(Br)cc1-c1nn[n-]n1)c1sc2cc(F)ccc2c1Cl ZINC001454413003 1066280855 /nfs/dbraw/zinc/28/08/55/1066280855.db2.gz OEQLINYATRVBIK-UHFFFAOYSA-N -1 3 452.696 4.889 20 0 JJADHM Cc1cc(O[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)ccc1C(C)C ZINC001443637979 1066342608 /nfs/dbraw/zinc/34/26/08/1066342608.db2.gz ARRVGBABZVQDSG-AWEZNQCLSA-N -1 3 458.502 4.915 20 0 JJADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CCc1cccc(C(F)(F)F)c1 ZINC001443644420 1066344083 /nfs/dbraw/zinc/34/40/83/1066344083.db2.gz XTCWUPYIULZMLC-UHFFFAOYSA-N -1 3 454.392 4.667 20 0 JJADHM O=C(Nc1ccccc1Oc1cccc(I)c1)c1cccc2n[n-]nc21 ZINC001455087467 1066359485 /nfs/dbraw/zinc/35/94/85/1066359485.db2.gz WZNWPVLBGGUMBS-UHFFFAOYSA-N -1 3 456.243 4.607 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(SC)cn3)c2)cc1 ZINC001443875851 1066379765 /nfs/dbraw/zinc/37/97/65/1066379765.db2.gz JQWJCKJQVHYBTR-UHFFFAOYSA-N -1 3 457.577 4.564 20 0 JJADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)c[n-]c12 ZINC001443923283 1066385590 /nfs/dbraw/zinc/38/55/90/1066385590.db2.gz ZEVJQCBLDRPOSN-UHFFFAOYSA-N -1 3 451.498 4.521 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC001443987657 1066390865 /nfs/dbraw/zinc/39/08/65/1066390865.db2.gz ZVARQSXFDHXQPI-DEOSSOPVSA-N -1 3 452.551 4.686 20 0 JJADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N2Cc3ccccc3[C@H](C)C2)c(Cl)cc1Cl ZINC001455467438 1066394591 /nfs/dbraw/zinc/39/45/91/1066394591.db2.gz FHYIXFHHLJHFNX-CQSZACIVSA-N -1 3 455.407 4.687 20 0 JJADHM O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001444119766 1066408663 /nfs/dbraw/zinc/40/86/63/1066408663.db2.gz PDCZMRPVKYPQIA-LJQANCHMSA-N -1 3 456.464 4.890 20 0 JJADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CC[C@H](c4ccc(Cl)cc4)C3)cs2)c1 ZINC001444166050 1066424299 /nfs/dbraw/zinc/42/42/99/1066424299.db2.gz BDSXDQMHGJOBKB-INIZCTEOSA-N -1 3 455.967 4.621 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3nc4ccsc4s3)c2)cc1 ZINC001444402794 1066458844 /nfs/dbraw/zinc/45/88/44/1066458844.db2.gz MJUJOKFAGRNJCF-UHFFFAOYSA-N -1 3 459.574 4.728 20 0 JJADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H](C)Oc3ccccc3C)c2)cc1 ZINC001444810247 1066507633 /nfs/dbraw/zinc/50/76/33/1066507633.db2.gz JGDZCRBCPKPHPW-HXUWFJFHSA-N -1 3 452.576 4.610 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCc1cccc(Cl)c1F ZINC001444941637 1066520668 /nfs/dbraw/zinc/52/06/68/1066520668.db2.gz CBWUAGOKTJYUTR-UHFFFAOYSA-N -1 3 450.894 4.657 20 0 JJADHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c(Cl)c1)[C@@H]1C[C@H]1C1CCOCC1 ZINC001445042255 1066533284 /nfs/dbraw/zinc/53/32/84/1066533284.db2.gz CIEBCMVONDLDHF-JKSUJKDBSA-N -1 3 469.390 4.795 20 0 JJADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC001445324903 1066557333 /nfs/dbraw/zinc/55/73/33/1066557333.db2.gz NMXYSZULLZPDPH-UHFFFAOYSA-N -1 3 452.505 4.735 20 0 JJADHM Cc1ccc(Cn2cc(C(=O)Nc3cc(C(=O)OC(C)C)n[n-]3)c(-c3ccc(C)cc3)n2)cc1 ZINC001456329025 1066563381 /nfs/dbraw/zinc/56/33/81/1066563381.db2.gz HDCQHCWIAHVRKG-UHFFFAOYSA-N -1 3 457.534 4.756 20 0 JJADHM Cc1ccc(Cn2cc(C(=O)Nc3cc(C(=O)OC(C)C)[n-]n3)c(-c3ccc(C)cc3)n2)cc1 ZINC001456329025 1066563398 /nfs/dbraw/zinc/56/33/98/1066563398.db2.gz HDCQHCWIAHVRKG-UHFFFAOYSA-N -1 3 457.534 4.756 20 0 JJADHM Cc1sc([N-]C(=O)c2sccc2S(=O)(=O)C(F)F)nc1-c1ccc2c(c1)CCC2 ZINC001361226755 1066564906 /nfs/dbraw/zinc/56/49/06/1066564906.db2.gz XBWZSENGTYFPEC-UHFFFAOYSA-N -1 3 454.545 4.917 20 0 JJADHM C[C@@H](c1ccccc1)n1ccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC001445860599 1066627908 /nfs/dbraw/zinc/62/79/08/1066627908.db2.gz BTYOEOWMBYTRBE-CYFREDJKSA-N -1 3 454.530 4.698 20 0 JJADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N[C@H]3CCOC4(CCC4)C3)ccc2C)c(C)c1 ZINC001446001451 1066643970 /nfs/dbraw/zinc/64/39/70/1066643970.db2.gz PACNXQUORQHZGL-NRFANRHFSA-N -1 3 456.608 4.553 20 0 JJADHM COC(=O)c1cc(NC(=O)c2ccc(-n3nc(C)cc3-c3ccccc3)cc2)c([O-])c(OC)c1 ZINC001456750295 1066680366 /nfs/dbraw/zinc/68/03/66/1066680366.db2.gz SUXKQJPDJQOHMP-UHFFFAOYSA-N -1 3 457.486 4.601 20 0 JJADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC001446270874 1066681802 /nfs/dbraw/zinc/68/18/02/1066681802.db2.gz BQOSLDLKKCPMCM-VANUSSGQSA-N -1 3 458.558 4.538 20 0 JJADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC001446270870 1066681846 /nfs/dbraw/zinc/68/18/46/1066681846.db2.gz BQOSLDLKKCPMCM-LZYPDUGYSA-N -1 3 458.558 4.538 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)Nc1n[nH]c2c1cccc2Cl ZINC001446497134 1066710772 /nfs/dbraw/zinc/71/07/72/1066710772.db2.gz CLMVAERFLWBXQC-UHFFFAOYSA-N -1 3 458.902 4.717 20 0 JJADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1cc(-c2ccc(Br)cc2)ns1 ZINC001456944005 1066727541 /nfs/dbraw/zinc/72/75/41/1066727541.db2.gz ALIUUOMWTXWUQL-CTYIDZIISA-N -1 3 459.369 4.524 20 0 JJADHM C[C@H](C(=O)Nc1ccc(I)cc1[O-])c1ccc(Br)s1 ZINC001447630243 1066832010 /nfs/dbraw/zinc/83/20/10/1066832010.db2.gz YQPMITFCVJHYBV-ZETCQYMHSA-N -1 3 452.111 4.563 20 0 JJADHM COc1cc(OC)c(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc1Br ZINC001448022484 1066890899 /nfs/dbraw/zinc/89/08/99/1066890899.db2.gz JHSZIQGDIIWVET-UHFFFAOYSA-N -1 3 458.334 4.522 20 0 JJADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(-c3cccc4ccccc43)c(C)s2)ccc1F ZINC001448162129 1066905608 /nfs/dbraw/zinc/90/56/08/1066905608.db2.gz WIVHFXLDGPGADC-UHFFFAOYSA-N -1 3 455.536 4.571 20 0 JJADHM COc1ccc2cccc(CC(=O)N3CCC(C(=O)Nc4cc(Cl)ccc4[O-])CC3)c2c1 ZINC001457735207 1066906643 /nfs/dbraw/zinc/90/66/43/1066906643.db2.gz KTGKXYVTLVENLY-UHFFFAOYSA-N -1 3 452.938 4.627 20 0 JJADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@H](OC2CCCC2)c2ccccc2)CC1 ZINC001457734122 1066906691 /nfs/dbraw/zinc/90/66/91/1066906691.db2.gz HFPJQRSRMIAXTN-HSZRJFAPSA-N -1 3 456.970 4.923 20 0 JJADHM Cc1c(C(=O)N[C@@H]2CSC2(C)C)sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC001448184096 1066907731 /nfs/dbraw/zinc/90/77/31/1066907731.db2.gz FJGRETIYQOJTLQ-OAHLLOKOSA-N -1 3 459.662 4.826 20 0 JJADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCCCC2)c(C)o1 ZINC001448404248 1066924151 /nfs/dbraw/zinc/92/41/51/1066924151.db2.gz CNEDNUFZCSRMHX-LJQANCHMSA-N -1 3 458.502 4.566 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)CCCC(F)(F)F)c2)cc1 ZINC001449052186 1066979956 /nfs/dbraw/zinc/97/99/56/1066979956.db2.gz QRPWKQDRMRJYNA-OAHLLOKOSA-N -1 3 458.502 4.655 20 0 JJADHM O=C(NC[C@H]1CCCC[C@@H]1c1ccccc1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC001449652456 1067019178 /nfs/dbraw/zinc/01/91/78/1067019178.db2.gz ONPSNTMKSDKTRM-UYAOXDASSA-N -1 3 455.555 4.658 20 0 JJADHM O=C(NC[C@@H]1CCCC[C@H]1c1ccccc1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC001449652443 1067019535 /nfs/dbraw/zinc/01/95/35/1067019535.db2.gz ONPSNTMKSDKTRM-ICSRJNTNSA-N -1 3 455.555 4.658 20 0 JJADHM Cc1c(Br)ccc([O-])c1NC(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC001450225390 1067061314 /nfs/dbraw/zinc/06/13/14/1067061314.db2.gz IQAPZCKRWFOMRY-UHFFFAOYSA-N -1 3 453.086 4.584 20 0 JJADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC001450228598 1067061442 /nfs/dbraw/zinc/06/14/42/1067061442.db2.gz HQOOPBHPRBUABZ-GOSISDBHSA-N -1 3 455.308 4.636 20 0 JJADHM CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC001546100867 1067065988 /nfs/dbraw/zinc/06/59/88/1067065988.db2.gz MKFPRNKPYSBAQM-MHZLTWQESA-N -1 3 452.595 4.944 20 0 JJADHM CC(=O)c1cccc(NC(=O)C[C@H](C)CCc2ccc(I)cc2)c1[O-] ZINC001450595743 1067093096 /nfs/dbraw/zinc/09/30/96/1067093096.db2.gz HUSVJDYHFNUBSF-CYBMUJFWSA-N -1 3 451.304 4.797 20 0 JJADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC001545810919 1067139602 /nfs/dbraw/zinc/13/96/02/1067139602.db2.gz HJYHFCJCOHXLNU-LJQANCHMSA-N -1 3 450.445 4.706 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H]3CCC[C@@H]3C3CC3)c2)cc1 ZINC001451463085 1067173324 /nfs/dbraw/zinc/17/33/24/1067173324.db2.gz NFOFVQHNTXXGQP-WMZHIEFXSA-N -1 3 456.608 4.751 20 0 JJADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nccn2-c2ccc(C(=O)NCc3cccs3)cc2)n1 ZINC001458916778 1067195940 /nfs/dbraw/zinc/19/59/40/1067195940.db2.gz AECOSRFCQHEDQN-HNNXBMFYSA-N -1 3 451.577 4.521 20 0 JJADHM CCCCc1nc(NC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)c(C(=O)OCC)[n-]1 ZINC001458950486 1067206014 /nfs/dbraw/zinc/20/60/14/1067206014.db2.gz AOTQWKZJZGTDDN-LBPRGKRZSA-N -1 3 454.340 4.648 20 0 JJADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@H](OC)CC3)c2)cc1 ZINC001453381940 1067302597 /nfs/dbraw/zinc/30/25/97/1067302597.db2.gz SUQJYGBGOXYFOT-QFIPXVFZSA-N -1 3 458.624 4.780 20 0 JJADHM CC(C)[C@@H](CCc1ccccc1)C(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC001453677266 1067321388 /nfs/dbraw/zinc/32/13/88/1067321388.db2.gz BFCHYNDGUAHXAR-DNVJHFABSA-N -1 3 460.540 4.955 20 0 JJADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC001453821793 1067331045 /nfs/dbraw/zinc/33/10/45/1067331045.db2.gz ZALYYKHDXMNMDW-UHFFFAOYSA-N -1 3 452.820 4.676 20 0 JJADHM COC(=O)c1sc2[n-]c(CN3CCc4cc(Cl)cc(Cl)c4[C@H]3C)nc(=O)c2c1C ZINC001459629917 1067368410 /nfs/dbraw/zinc/36/84/10/1067368410.db2.gz UWPUUEYMSGXSJN-SNVBAGLBSA-N -1 3 452.363 4.506 20 0 JJADHM Cc1cc(C(F)(F)F)n2nc(C(=O)[N-]c3nnc(-c4ccc(Cl)cc4F)s3)cc2n1 ZINC001459831221 1067444323 /nfs/dbraw/zinc/44/43/23/1067444323.db2.gz DIXOLROFVCAFCE-UHFFFAOYSA-N -1 3 456.812 4.620 20 0 JJADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@](C)(Cc2ccc(Cl)cc2)C(C)C)ccc1F ZINC001460311406 1067605106 /nfs/dbraw/zinc/60/51/06/1067605106.db2.gz JRSXHYKACVFTKY-JOCHJYFZSA-N -1 3 454.995 4.553 20 0 JJADHM O=C1C[C@H](NCc2cccc([O-])c2Br)CN1c1ccc(Oc2ccccc2)cc1 ZINC001461096285 1067781329 /nfs/dbraw/zinc/78/13/29/1067781329.db2.gz PMVUJPNVVFLTNZ-KRWDZBQOSA-N -1 3 453.336 4.842 20 0 JJADHM Cc1nocc1S(=O)(=O)[N-]C[C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1Cl ZINC001462719040 1068141296 /nfs/dbraw/zinc/14/12/96/1068141296.db2.gz RUKSGYPBCAQETH-QGZVFWFLSA-N -1 3 450.347 4.882 20 0 JJADHM CCCCc1ccc([C@H]([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)c2cccs2)cc1 ZINC001462743945 1068152462 /nfs/dbraw/zinc/15/24/62/1068152462.db2.gz KTYYGEIATZBVHM-SFHVURJKSA-N -1 3 457.543 4.911 20 0 JJADHM CCCCc1ccc([C@@H]([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)c2cccs2)cc1 ZINC001462743938 1068152606 /nfs/dbraw/zinc/15/26/06/1068152606.db2.gz KTYYGEIATZBVHM-GOSISDBHSA-N -1 3 457.543 4.911 20 0 JJADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccnc(Oc3ccc(F)cc3)c2)s1 ZINC001462753183 1068156497 /nfs/dbraw/zinc/15/64/97/1068156497.db2.gz MHNKNTWGDSSHOH-UHFFFAOYSA-N -1 3 457.346 4.624 20 0 JJADHM O=S(=O)([N-][C@H](COc1ccccc1F)c1ccccc1)c1ccc(Br)s1 ZINC001462843710 1068187451 /nfs/dbraw/zinc/18/74/51/1068187451.db2.gz JCQJSDLORCUTOY-OAHLLOKOSA-N -1 3 456.358 4.748 20 0 JJADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC001462847330 1068188680 /nfs/dbraw/zinc/18/86/80/1068188680.db2.gz WZGKBMJINOVKHA-GOSISDBHSA-N -1 3 456.372 4.909 20 0 JJADHM COC(=O)c1c(F)ccc(F)c1[N-]C(=O)c1cc(Br)c(C(F)(F)F)cc1F ZINC001462891712 1068204843 /nfs/dbraw/zinc/20/48/43/1068204843.db2.gz MHJSCUXEZZPMLC-UHFFFAOYSA-N -1 3 456.136 4.924 20 0 JJADHM COc1ccc(C2(C[N-]S(=O)(=O)c3cc4nc(Cl)ncc4s3)CCCCC2)cc1 ZINC001462897110 1068207721 /nfs/dbraw/zinc/20/77/21/1068207721.db2.gz KQXWFDIRKUCTOF-UHFFFAOYSA-N -1 3 452.001 4.534 20 0 JJADHM O=S(=O)([N-]CCSCc1cccc2ccccc21)c1cc(F)ccc1Br ZINC001462911537 1068212165 /nfs/dbraw/zinc/21/21/65/1068212165.db2.gz CLTLMKBMAJSMIE-UHFFFAOYSA-N -1 3 454.386 4.953 20 0 JJADHM CC(C)(C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1cccc(Br)c1 ZINC001462980314 1068237639 /nfs/dbraw/zinc/23/76/39/1068237639.db2.gz MHQDWGKRAZTPAT-UHFFFAOYSA-N -1 3 454.283 4.863 20 0 JJADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](c2ccc(C)cc2)c2ccc(F)cc2Cl)c1 ZINC001463060326 1068270623 /nfs/dbraw/zinc/27/06/23/1068270623.db2.gz WIHFPTBGLUDOMG-IBGZPJMESA-N -1 3 453.944 4.704 20 0 JJADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ccccc1Cl ZINC001463166241 1068308467 /nfs/dbraw/zinc/30/84/67/1068308467.db2.gz IFTUPFFESJWZEA-SFHVURJKSA-N -1 3 456.873 4.830 20 0 JJADHM CC[C@H]([N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC001463188439 1068314717 /nfs/dbraw/zinc/31/47/17/1068314717.db2.gz UCVKGHRUKOWHDN-VIFPVBQESA-N -1 3 450.838 4.846 20 0 JJADHM CSc1ccccc1S(=O)(=O)[N-][C@@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F ZINC001463236300 1068330220 /nfs/dbraw/zinc/33/02/20/1068330220.db2.gz IDUYHWUNRIWQHV-IBGZPJMESA-N -1 3 455.527 4.793 20 0 JJADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](CC(C)C)c2ccccc2OCC(C)C)c1 ZINC001463246166 1068333520 /nfs/dbraw/zinc/33/35/20/1068333520.db2.gz BYDOXIJXZFHRFL-FQEVSTJZSA-N -1 3 451.560 4.713 20 0 JJADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1c(F)cccc1Cl ZINC001463264609 1068339519 /nfs/dbraw/zinc/33/95/19/1068339519.db2.gz UXGDUXMOVWFZRJ-QMMMGPOBSA-N -1 3 457.148 4.943 20 0 JJADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CC1(OC(C)C)CCCCC1 ZINC001463293383 1068347054 /nfs/dbraw/zinc/34/70/54/1068347054.db2.gz JFVBFFRHTQCPPZ-UHFFFAOYSA-N -1 3 454.814 4.517 20 0 JJADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc(-c4ccc(OC)cc4F)cc3F)nc21 ZINC001463313737 1068352830 /nfs/dbraw/zinc/35/28/30/1068352830.db2.gz KZABFGFPGHBWDS-UHFFFAOYSA-N -1 3 451.429 4.946 20 0 JJADHM CC(C)(C)OC(=O)N1CCC(C)(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC001546138414 1068372351 /nfs/dbraw/zinc/37/23/51/1068372351.db2.gz ZXHSMIRCODLYRH-UHFFFAOYSA-N -1 3 452.595 4.944 20 0 JJADHM O=S(=O)([N-][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1csnc1-c1ccccc1 ZINC001463410905 1068388624 /nfs/dbraw/zinc/38/86/24/1068388624.db2.gz KANFNNDTBKVVLQ-CQSZACIVSA-N -1 3 454.404 4.674 20 0 JJADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001463431749 1068395763 /nfs/dbraw/zinc/39/57/63/1068395763.db2.gz FMKIHJGIQUOSAE-VBKZILBWSA-N -1 3 454.926 4.644 20 0 JJADHM Cc1cccc(C[N-]S(=O)(=O)c2oc3ccccc3c2Br)c1Br ZINC001463544937 1068436731 /nfs/dbraw/zinc/43/67/31/1068436731.db2.gz ZIFFDAIPUNPYQQ-UHFFFAOYSA-N -1 3 459.159 4.745 20 0 JJADHM CCCN1CCCC[C@H]1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001463564921 1068446511 /nfs/dbraw/zinc/44/65/11/1068446511.db2.gz PKHNDBDFUKGEDY-FQEVSTJZSA-N -1 3 450.004 4.652 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)[C@@H]3C[C@@H]4C[C@@H]4C[C@H]3C)c2)cc1 ZINC001463579269 1068453796 /nfs/dbraw/zinc/45/37/96/1068453796.db2.gz ATJDBLQMCIVWMU-MXTNKPTQSA-N -1 3 458.580 4.515 20 0 JJADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]Cc2ccc(Oc3cccc4ccccc43)cc2)s1 ZINC001463588383 1068458151 /nfs/dbraw/zinc/45/81/51/1068458151.db2.gz DCHRGJJMZGXOPN-UHFFFAOYSA-N -1 3 453.545 4.526 20 0 JJADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(c2ccsc2)C2CCCCC2)cc1 ZINC001463626656 1068472968 /nfs/dbraw/zinc/47/29/68/1068472968.db2.gz NGJXOMWIZKFNFR-UHFFFAOYSA-N -1 3 456.655 4.818 20 0 JJADHM O=S(=O)([N-]CCCc1ccccc1F)c1csc(-c2ccc(Br)cc2)n1 ZINC001463631016 1068475102 /nfs/dbraw/zinc/47/51/02/1068475102.db2.gz HLZRKLHDEXLXME-UHFFFAOYSA-N -1 3 455.374 4.623 20 0 JJADHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)n[nH]1 ZINC001463653496 1068482374 /nfs/dbraw/zinc/48/23/74/1068482374.db2.gz XYSJUJWKWBLYNF-QWRGUYRKSA-N -1 3 459.519 4.500 20 0 JJADHM CC[C@H](C)c1nnc([C@H](C)[N-]S(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)[nH]1 ZINC001463653496 1068482378 /nfs/dbraw/zinc/48/23/78/1068482378.db2.gz XYSJUJWKWBLYNF-QWRGUYRKSA-N -1 3 459.519 4.500 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C/CCc3ccccc3)ccc2C)cc1 ZINC001463668120 1068489130 /nfs/dbraw/zinc/48/91/30/1068489130.db2.gz ZTJROZXCQZFQOC-YRNVUSSQSA-N -1 3 450.560 4.932 20 0 JJADHM CCN(C)[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1)c1ccccc1 ZINC001463670986 1068489694 /nfs/dbraw/zinc/48/96/94/1068489694.db2.gz CGPJDSHWBXEPEM-DEOSSOPVSA-N -1 3 451.592 4.736 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccnc3C3CC3)ccc2C)cc1 ZINC001463692791 1068495932 /nfs/dbraw/zinc/49/59/32/1068495932.db2.gz GSKZTPQELLUOKI-UHFFFAOYSA-N -1 3 451.548 4.719 20 0 JJADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]1c1ccccc1 ZINC001463770204 1068518850 /nfs/dbraw/zinc/51/88/50/1068518850.db2.gz YGMLWOOOBLOUTE-HOCLYGCPSA-N -1 3 458.805 4.973 20 0 JJADHM O=S(=O)([N-][C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccc(F)cc1C(F)(F)F ZINC001463797674 1068527950 /nfs/dbraw/zinc/52/79/50/1068527950.db2.gz SSVQAGDVXCXHQR-YEORSEQZSA-N -1 3 452.267 4.832 20 0 JJADHM Cc1cc(Br)sc1S(=O)(=O)[N-]Cc1cc(Cl)cc(Br)c1 ZINC001463893811 1068557791 /nfs/dbraw/zinc/55/77/91/1068557791.db2.gz NHWUGKFHAJFGKP-UHFFFAOYSA-N -1 3 459.612 4.713 20 0 JJADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCCSc1ccc(F)cc1 ZINC001463938470 1068570738 /nfs/dbraw/zinc/57/07/38/1068570738.db2.gz KEVOCGQBXOZEPL-HSZRJFAPSA-N -1 3 452.551 4.691 20 0 JJADHM CCN(c1ccc(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1)C(C)C ZINC001463966610 1068577350 /nfs/dbraw/zinc/57/73/50/1068577350.db2.gz MXWHLVRFODJPMO-UHFFFAOYSA-N -1 3 458.411 4.535 20 0 JJADHM CSc1nnc(CCCNC(=O)c2cc(Oc3ccccc3)ccc2[O-])n1C1CCCC1 ZINC001463998359 1068584207 /nfs/dbraw/zinc/58/42/07/1068584207.db2.gz VCFAOTKHCCHIET-UHFFFAOYSA-N -1 3 452.580 4.976 20 0 JJADHM O=S(=O)([N-]Cc1ccnc(Oc2ccccc2)c1)c1cccc(Cl)c1Br ZINC001464017865 1068590503 /nfs/dbraw/zinc/59/05/03/1068590503.db2.gz IJOOTDHLEXOHIZ-UHFFFAOYSA-N -1 3 453.745 4.768 20 0 JJADHM O=C(NCc1ccccc1C(F)(F)F)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC001464052383 1068601020 /nfs/dbraw/zinc/60/10/20/1068601020.db2.gz MXHLHIZCZFQSIQ-UHFFFAOYSA-N -1 3 459.649 4.893 20 0 JJADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccc(F)c(F)c3)ccc2C)c(C)c1 ZINC001464055565 1068601805 /nfs/dbraw/zinc/60/18/05/1068601805.db2.gz WGDUWFCNDCQFAJ-UHFFFAOYSA-N -1 3 458.530 4.929 20 0 JJADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](CCc2ccccc2)c2ccccn2)s1 ZINC001464258427 1068678345 /nfs/dbraw/zinc/67/83/45/1068678345.db2.gz FBBUUXYTJVVCSX-GOSISDBHSA-N -1 3 451.411 4.866 20 0 JJADHM COC(=O)c1cc(S(=O)(=O)[N-]C2(C)CCC(C)(C)CC2)c(Br)cc1Cl ZINC001464258155 1068678516 /nfs/dbraw/zinc/67/85/16/1068678516.db2.gz ZFXKJXNQYKCWJI-UHFFFAOYSA-N -1 3 452.798 4.526 20 0 JJADHM Cc1ccccc1CN(Cc1ccccc1)C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC001464540309 1068776870 /nfs/dbraw/zinc/77/68/70/1068776870.db2.gz BFSKJDKZLJRHID-UHFFFAOYSA-N -1 3 452.558 4.610 20 0 JJADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cccc(OCC(F)(F)F)c1 ZINC001464605653 1068797641 /nfs/dbraw/zinc/79/76/41/1068797641.db2.gz AEFPTXBOTHUKFA-OAQYLSRUSA-N -1 3 458.436 4.833 20 0 JJADHM Cc1cccc([O-])c1C(=O)Nc1cccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001464671254 1068818908 /nfs/dbraw/zinc/81/89/08/1068818908.db2.gz DKPIWAJEUKAYMT-UHFFFAOYSA-N -1 3 454.523 4.509 20 0 JJADHM O=C(Nc1cc(Cl)ccc1N1CCSCC1)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001464720742 1068837778 /nfs/dbraw/zinc/83/77/78/1068837778.db2.gz DKAYDCTVFNUXPW-UHFFFAOYSA-N -1 3 455.967 4.831 20 0 JJADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H](c3ccc(F)c(C)c3)C3CC3)cs2)c1 ZINC001545874978 1064292267 /nfs/dbraw/zinc/29/22/67/1064292267.db2.gz ICRYDCBUPMAWEF-JOCHJYFZSA-N -1 3 453.539 4.667 20 0 JJADHM Cc1ccc(Cc2nnc([N-]C(=O)c3cc(Br)cnc3OCC3CC3)s2)cc1 ZINC001435116902 1064524917 /nfs/dbraw/zinc/52/49/17/1064524917.db2.gz XTMCQRFDUJAGBJ-UHFFFAOYSA-N -1 3 459.369 4.636 20 0 JJADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)[C@@H]3[C@@H](c4ccccc4)C3(C)C)c2)cc1 ZINC001435167905 1064563684 /nfs/dbraw/zinc/56/36/84/1064563684.db2.gz GEDSIRMNFGLFLO-RPWUZVMVSA-N -1 3 464.587 4.552 20 0 JJADHM O=C([N-]c1nc(-c2ccc(F)cc2)ns1)c1cc(Br)cnc1Br ZINC001435180377 1064571953 /nfs/dbraw/zinc/57/19/53/1064571953.db2.gz FPXJDNRZKXRREB-UHFFFAOYSA-N -1 3 458.110 4.517 20 0 JJADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001435444218 1064760172 /nfs/dbraw/zinc/76/01/72/1064760172.db2.gz UTFQFLDSSUUCHE-GJZGRUSLSA-N -1 3 454.995 4.820 20 0 JJADHM COc1ccc(F)cc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC001435573620 1064842828 /nfs/dbraw/zinc/84/28/28/1064842828.db2.gz UGJKOJNCOANOIE-UHFFFAOYSA-N -1 3 452.866 4.680 20 0 JJADHM COc1cc(OC)nc(C(=O)[N-]c2sc3c(c2C(=O)c2ccc(C)cc2)CCCCC3)n1 ZINC001435814579 1065006064 /nfs/dbraw/zinc/00/60/64/1065006064.db2.gz QUTPJYFICWOZEH-UHFFFAOYSA-N -1 3 451.548 4.616 20 0 JJADHM COc1ccc(-c2ncc(C(=O)[N-]c3nnc(Cc4ccccc4F)s3)s2)cc1OC ZINC001360270253 1065112192 /nfs/dbraw/zinc/11/21/92/1065112192.db2.gz AFKISHPFIZNTAZ-UHFFFAOYSA-N -1 3 456.524 4.661 20 0 JJADHM C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001436650374 1065417528 /nfs/dbraw/zinc/41/75/28/1065417528.db2.gz XEVJNKVHEMHQEH-NSHDSACASA-N -1 3 458.906 4.575 20 0 JJADHM C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001436650374 1065417534 /nfs/dbraw/zinc/41/75/34/1065417534.db2.gz XEVJNKVHEMHQEH-NSHDSACASA-N -1 3 458.906 4.575 20 0 JJADHM O=C(NC[C@@H]1CCC[C@H]1C1CC1)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC001436741212 1065434728 /nfs/dbraw/zinc/43/47/28/1065434728.db2.gz GIRBTBPNDNZWFE-RDJZCZTQSA-N -1 3 450.963 4.836 20 0 JJADHM CS[C@@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2Cl)C1 ZINC001360506265 1065443911 /nfs/dbraw/zinc/44/39/11/1065443911.db2.gz AXRMMUIBJUSGMB-ZIAGYGMSSA-N -1 3 456.992 4.684 20 0 JJADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)ccc1F ZINC001436860880 1065454635 /nfs/dbraw/zinc/45/46/35/1065454635.db2.gz VAWMPTGIMBCLPF-CRAIPNDOSA-N -1 3 452.979 4.622 20 0 JJADHM O=C([N-]c1nc(-c2ccccc2C(F)(F)F)ns1)c1cc(N2CCOC2=O)ccc1F ZINC001437545556 1065569735 /nfs/dbraw/zinc/56/97/35/1065569735.db2.gz MFJLNGKJQIUNIN-UHFFFAOYSA-N -1 3 452.389 4.572 20 0 JJADHM COC(=O)c1cc([N-]C(=O)c2cc(-c3c(F)cccc3F)no2)c(Br)cc1F ZINC001360752382 1065798469 /nfs/dbraw/zinc/79/84/69/1065798469.db2.gz MTROTKZIBDWYDE-UHFFFAOYSA-N -1 3 455.186 4.560 20 0 JJADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3nc(-c4cccc(C(F)(F)F)c4)oc3C)nc21 ZINC001439994807 1065900740 /nfs/dbraw/zinc/90/07/40/1065900740.db2.gz AVKCBPIYPDBXDN-UHFFFAOYSA-N -1 3 458.396 4.974 20 0 JJADHM COC(=O)c1cc2nc(NC(=O)CCCc3c[nH]c4ccccc34)[n-]c2c(Br)c1 ZINC001440018416 1065902927 /nfs/dbraw/zinc/90/29/27/1065902927.db2.gz MHUMMAPYZLSTKU-UHFFFAOYSA-N -1 3 455.312 4.555 20 0 JJADHM CCN(c1ccc(C(=O)Nc2nc3cc(C(=O)OC)cc(Br)c3[n-]2)cc1)C(C)C ZINC001440021120 1065903648 /nfs/dbraw/zinc/90/36/48/1065903648.db2.gz SJBSFDMIHBRYLD-UHFFFAOYSA-N -1 3 459.344 4.599 20 0 JJADHM COC(=O)c1cc2nc(NC(=O)c3ccc(C)c(Cl)c3Cl)[n-]c2c(Br)c1 ZINC001440027686 1065904299 /nfs/dbraw/zinc/90/42/99/1065904299.db2.gz JEMZPWCOMRKGER-UHFFFAOYSA-N -1 3 457.111 4.980 20 0 JJADHM CSc1ccc(O[C@H](C)C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC001440522613 1065947242 /nfs/dbraw/zinc/94/72/42/1065947242.db2.gz ZMQYRIMPDJWHJS-QGZVFWFLSA-N -1 3 456.589 4.924 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3scnc3C(C)(C)C)ccc2C)cc1 ZINC001440568735 1065950898 /nfs/dbraw/zinc/95/08/98/1065950898.db2.gz GNHSCTLQSKZEDR-UHFFFAOYSA-N -1 3 459.593 4.811 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@H]3c3cccc(C)c3)ccc2C)cc1 ZINC001440569886 1065951338 /nfs/dbraw/zinc/95/13/38/1065951338.db2.gz ZTOYIIAOOGMHPX-XZOQPEGZSA-N -1 3 450.560 4.855 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(Cl)ccc3N)ccc2C)cc1 ZINC001440597959 1065953116 /nfs/dbraw/zinc/95/31/16/1065953116.db2.gz NZNRNHBZOJJPHZ-UHFFFAOYSA-N -1 3 459.955 4.682 20 0 JJADHM Cc1ccc([N-]C(=O)c2ocnc2C(F)(F)F)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001440735969 1065973130 /nfs/dbraw/zinc/97/31/30/1065973130.db2.gz UJTKRAMKGDLGQN-UHFFFAOYSA-N -1 3 459.833 4.708 20 0 JJADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H](c1ccccc1)c1ccccn1 ZINC001440933957 1065995473 /nfs/dbraw/zinc/99/54/73/1065995473.db2.gz NKZPVEVYPUSTOO-VPUSJEBWSA-N -1 3 451.526 4.554 20 0 JJADHM CN1C(=O)C[C@H](C(=O)Nc2ccc(Br)cc2[O-])[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001441339083 1066030312 /nfs/dbraw/zinc/03/03/12/1066030312.db2.gz GNMVTQDQWQNZQT-GTNSWQLSSA-N -1 3 458.139 4.620 20 0 JJADHM Cc1ccc(C(=O)N[C@H](CC(=O)Nc2ccc(Br)cc2[O-])c2ccccc2)cc1 ZINC001441341872 1066031073 /nfs/dbraw/zinc/03/10/73/1066031073.db2.gz MKBREBYBZYFGFT-HXUWFJFHSA-N -1 3 453.336 4.963 20 0 JJADHM CC[C@@H]1CCc2nc(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccccc4F)c3)sc2C1 ZINC001441841713 1066074769 /nfs/dbraw/zinc/07/47/69/1066074769.db2.gz NAJLTAQTJUIOLQ-CQSZACIVSA-N -1 3 459.568 4.850 20 0 JJADHM CC[C@H]1CCc2nc(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccccc4F)c3)sc2C1 ZINC001441841704 1066074792 /nfs/dbraw/zinc/07/47/92/1066074792.db2.gz NAJLTAQTJUIOLQ-AWEZNQCLSA-N -1 3 459.568 4.850 20 0 JJADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CSCc2ccc(C(C)(C)C)cc2)cc1OC ZINC001441885844 1066077615 /nfs/dbraw/zinc/07/76/15/1066077615.db2.gz DPQWRJXVPMTBEI-UHFFFAOYSA-N -1 3 450.626 4.626 20 0 JJADHM COc1cc2[n-]cc(C(=O)N[C@H](c3ccsc3)c3ccc(Cl)cc3)c(=O)c2c(OC)c1 ZINC001442119216 1066096449 /nfs/dbraw/zinc/09/64/49/1066096449.db2.gz ICFSHPXACVCCTL-NRFANRHFSA-N -1 3 454.935 4.780 20 0 JJADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)COc3ccc(C)cc3)c2)cc1 ZINC001442395820 1066123592 /nfs/dbraw/zinc/12/35/92/1066123592.db2.gz LKHJJHCMUSKTGA-FQEVSTJZSA-N -1 3 452.576 4.610 20 0 JJADHM Cc1ccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1NC(=O)CN1CCCCC1 ZINC001442484124 1066130803 /nfs/dbraw/zinc/13/08/03/1066130803.db2.gz AXJDWCLKHXMXKD-UHFFFAOYSA-N -1 3 457.574 4.968 20 0 JJADHM Cc1c(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cccc1C(=O)Nc1ccccc1 ZINC001442553891 1066137432 /nfs/dbraw/zinc/13/74/32/1066137432.db2.gz RYBBHUUAZSBMIP-UHFFFAOYSA-N -1 3 457.939 4.525 20 0 JJADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)s1 ZINC001443018708 1066254150 /nfs/dbraw/zinc/25/41/50/1066254150.db2.gz AZRMKKMUHFDGPU-UHFFFAOYSA-N -1 3 455.005 4.949 20 0 JJADHM COc1ccc2oc([C@@H](C)NC(=O)c3cc(=O)c4cc(Br)ccc4[n-]3)c(C)c2c1 ZINC001443583407 1066332743 /nfs/dbraw/zinc/33/27/43/1066332743.db2.gz WIUQQRYAUKOSHC-GFCCVEGCSA-N -1 3 455.308 4.845 20 0 JJADHM O=C(CCC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)c1ccc(Cl)cc1 ZINC001454920025 1066342334 /nfs/dbraw/zinc/34/23/34/1066342334.db2.gz KYOPXHMPMQOBHS-HNNXBMFYSA-N -1 3 452.860 4.502 20 0 JJADHM Cc1cc(C(=O)CCC(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)c(C)s1 ZINC001454929214 1066343502 /nfs/dbraw/zinc/34/35/02/1066343502.db2.gz ZOUQTJWBBBQMOR-HNNXBMFYSA-N -1 3 452.498 4.527 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@@H](C4CCC4)CC3)ccc2C)cc1 ZINC001455086157 1066358977 /nfs/dbraw/zinc/35/89/77/1066358977.db2.gz OWLJKTOVUNZOGS-HXUWFJFHSA-N -1 3 456.608 4.847 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)c3cccc(C)c3C)c2)cc1 ZINC001443817215 1066371218 /nfs/dbraw/zinc/37/12/18/1066371218.db2.gz KBBQSARVNOLJQJ-IBGZPJMESA-N -1 3 452.576 4.912 20 0 JJADHM CC(C)(NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1ccc(C(F)(F)F)cc1 ZINC001455227168 1066373045 /nfs/dbraw/zinc/37/30/45/1066373045.db2.gz SBAZHBNCMCDPES-UHFFFAOYSA-N -1 3 453.258 4.975 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CC[C@H]4CCC[C@@H]4C3)ccc2C)cc1 ZINC001444037405 1066397134 /nfs/dbraw/zinc/39/71/34/1066397134.db2.gz UIJHXXWVFVDBIT-WOIUINJBSA-N -1 3 456.608 4.893 20 0 JJADHM COCOc1ccc(CCC(=O)OC)cc1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001455637120 1066418070 /nfs/dbraw/zinc/41/80/70/1066418070.db2.gz YHYDOBSVAMQYLD-UHFFFAOYSA-N -1 3 451.475 4.525 20 0 JJADHM O=C(NCc1cc(C(F)(F)F)ccc1Br)c1cc([O-])cc(Br)c1 ZINC001455652616 1066420999 /nfs/dbraw/zinc/42/09/99/1066420999.db2.gz WRBRTHURSVZXFB-UHFFFAOYSA-N -1 3 453.052 4.866 20 0 JJADHM Cc1ccc(C(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)c([O-])c1C ZINC001444167020 1066424285 /nfs/dbraw/zinc/42/42/85/1066424285.db2.gz TVYPCRLZKBJYPU-UHFFFAOYSA-N -1 3 453.336 4.954 20 0 JJADHM COc1cc(Cl)ccc1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC001444203993 1066428300 /nfs/dbraw/zinc/42/83/00/1066428300.db2.gz BVMKCUGUMZTEAY-UHFFFAOYSA-N -1 3 458.967 4.696 20 0 JJADHM O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)c1cc(Cc2ccccc2)ccc1[O-] ZINC001444610718 1066482146 /nfs/dbraw/zinc/48/21/46/1066482146.db2.gz RZLGPXUGVVHPCA-UHFFFAOYSA-N -1 3 450.844 4.859 20 0 JJADHM CC[C@H](CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)Oc1ccccc1C ZINC001444935440 1066519403 /nfs/dbraw/zinc/51/94/03/1066519403.db2.gz VNRNTSQYINUITL-LJQANCHMSA-N -1 3 456.539 4.522 20 0 JJADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N3CC[C@H](C(F)(F)F)C3)ccc2C)c(C)c1 ZINC001456277220 1066553917 /nfs/dbraw/zinc/55/39/17/1066553917.db2.gz JEUPAQXCPBGNRP-SFHVURJKSA-N -1 3 454.514 4.745 20 0 JJADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CC(Cc2ccccc2Cl)C1 ZINC001445471557 1066574932 /nfs/dbraw/zinc/57/49/32/1066574932.db2.gz DMJUHHOFGBMIBQ-UHFFFAOYSA-N -1 3 458.942 4.595 20 0 JJADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)[C@@H]3CC[C@@H]4CCCC[C@H]4C3)c2)cc1 ZINC001456414886 1066581397 /nfs/dbraw/zinc/58/13/97/1066581397.db2.gz RVBSTFNMTYRBCN-PCCBWWKXSA-N -1 3 456.608 4.719 20 0 JJADHM CC(C)c1ccc(Sc2ccc([C@@H](C)N(C)C(=O)c3[nH]c(=O)[n-]c(=O)c3N)cc2F)cc1 ZINC001456532164 1066614926 /nfs/dbraw/zinc/61/49/26/1066614926.db2.gz AAIVFCXFKXQKSQ-CYBMUJFWSA-N -1 3 456.543 4.717 20 0 JJADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N[C@@H]3CCOC4(CCC4)C3)ccc2C)c(C)c1 ZINC001446001459 1066644191 /nfs/dbraw/zinc/64/41/91/1066644191.db2.gz PACNXQUORQHZGL-OAQYLSRUSA-N -1 3 456.608 4.553 20 0 JJADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1cc2ccc(Br)cc2s1 ZINC001456802164 1066694480 /nfs/dbraw/zinc/69/44/80/1066694480.db2.gz XBJHKCNLQXMZIP-UHFFFAOYSA-N -1 3 456.321 4.996 20 0 JJADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1cc2ccc(Br)cc2s1 ZINC001456802164 1066694486 /nfs/dbraw/zinc/69/44/86/1066694486.db2.gz XBJHKCNLQXMZIP-UHFFFAOYSA-N -1 3 456.321 4.996 20 0 JJADHM CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1cc(Br)ccc1[O-] ZINC001447277837 1066787425 /nfs/dbraw/zinc/78/74/25/1066787425.db2.gz NYOBPFIZTJUONZ-QFIPXVFZSA-N -1 3 455.352 4.630 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@H](C)c3ccccc3)ccc2C)cc1 ZINC001447461061 1066811944 /nfs/dbraw/zinc/81/19/44/1066811944.db2.gz KZPBPLPDDPERGC-IBGZPJMESA-N -1 3 452.576 4.728 20 0 JJADHM CC(C)([C@H](NC(=O)c1ccc(Br)cc1[O-])c1ccc(F)c(F)c1)N1CCCC1 ZINC001447550772 1066820860 /nfs/dbraw/zinc/82/08/60/1066820860.db2.gz CHCZDMLOSGEWKK-LJQANCHMSA-N -1 3 453.327 4.778 20 0 JJADHM O=C(c1cc2c(cc1[O-])OCO2)N(Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F ZINC001447580107 1066824794 /nfs/dbraw/zinc/82/47/94/1066824794.db2.gz OVCYSCNNKOZIFO-HXUWFJFHSA-N -1 3 459.420 4.516 20 0 JJADHM O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccc(I)cc1[O-] ZINC001447631171 1066832047 /nfs/dbraw/zinc/83/20/47/1066832047.db2.gz RHAUBPCWWNQYFT-UHFFFAOYSA-N -1 3 459.283 4.757 20 0 JJADHM CCN(CC)[C@H](CNC(=O)c1cc(Cl)cc(Br)c1[O-])c1cccc(OC)c1 ZINC001457512720 1066847192 /nfs/dbraw/zinc/84/71/92/1066847192.db2.gz FULBWHWFIMEMLB-GOSISDBHSA-N -1 3 455.780 4.630 20 0 JJADHM Cc1ccc(-c2nc(NC(=O)c3cccc(Sc4cccc(Br)c4)n3)n[n-]2)o1 ZINC001457691483 1066898358 /nfs/dbraw/zinc/89/83/58/1066898358.db2.gz RQAHVQIIYQTKDL-UHFFFAOYSA-N -1 3 456.325 4.934 20 0 JJADHM CCCOc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC001457737470 1066907333 /nfs/dbraw/zinc/90/73/33/1066907333.db2.gz UVBIBVYBBPUDIT-UHFFFAOYSA-N -1 3 451.350 4.979 20 0 JJADHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)Nc2ccccc2NC(C)(C)C)c1[O-] ZINC001448510377 1066935276 /nfs/dbraw/zinc/93/52/76/1066935276.db2.gz PVLLQQGEXDRQMB-UHFFFAOYSA-N -1 3 457.530 4.960 20 0 JJADHM CC[C@H](C)[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C)C(F)(F)F ZINC001448553659 1066938928 /nfs/dbraw/zinc/93/89/28/1066938928.db2.gz QZIDWDSGBFIJIW-DJJJIMSYSA-N -1 3 458.502 4.511 20 0 JJADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)/C=C\c1ccc(-c2ccccc2Cl)s1 ZINC001449187376 1066988330 /nfs/dbraw/zinc/98/83/30/1066988330.db2.gz HBCDGSUGGKNCND-JXRSSESESA-N -1 3 455.967 4.962 20 0 JJADHM COC(=O)c1cccc2[n-]c(NC(=O)C(C)(C)c3csc(-c4cc(F)ccc4F)n3)nc21 ZINC001458166841 1066994291 /nfs/dbraw/zinc/99/42/91/1066994291.db2.gz DWEYPSLVXRUJLE-UHFFFAOYSA-N -1 3 456.474 4.668 20 0 JJADHM COC(=O)c1cc2cccc(NC(=O)c3c[n-]c4ccc(Br)cc4c3=O)c2s1 ZINC001450305008 1067070513 /nfs/dbraw/zinc/07/05/13/1067070513.db2.gz YOWXLCCNFWCAHW-UHFFFAOYSA-N -1 3 457.305 4.544 20 0 JJADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C3CCC3)cn2)c(Cl)cc1Cl ZINC001450531921 1067086528 /nfs/dbraw/zinc/08/65/28/1067086528.db2.gz JIJFXPVVSYAQIK-UHFFFAOYSA-N -1 3 456.395 4.843 20 0 JJADHM CC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Br)c1[O-] ZINC001450611915 1067095874 /nfs/dbraw/zinc/09/58/74/1067095874.db2.gz XDLSXOKAWPNZMC-UHFFFAOYSA-N -1 3 453.292 4.862 20 0 JJADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCc3c2cccc3-c2ccccc2)ccc1F ZINC001458716550 1067114230 /nfs/dbraw/zinc/11/42/30/1067114230.db2.gz WZWAXZYQEHYUNU-UHFFFAOYSA-N -1 3 452.551 4.772 20 0 JJADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1ccc(Oc2cccc(Br)c2)cc1 ZINC001450915037 1067135960 /nfs/dbraw/zinc/13/59/60/1067135960.db2.gz CVBGSRLYNPQHQT-UHFFFAOYSA-N -1 3 450.296 4.598 20 0 JJADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1ccc(Oc2cccc(Br)c2)cc1 ZINC001450915037 1067135968 /nfs/dbraw/zinc/13/59/68/1067135968.db2.gz CVBGSRLYNPQHQT-UHFFFAOYSA-N -1 3 450.296 4.598 20 0 JJADHM Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC001545820963 1067160478 /nfs/dbraw/zinc/16/04/78/1067160478.db2.gz OEMQTESXSQFTBW-UHFFFAOYSA-N -1 3 458.849 4.501 20 0 JJADHM CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1 ZINC001451531396 1067177306 /nfs/dbraw/zinc/17/73/06/1067177306.db2.gz ATGNNVVEKXPFEN-UHFFFAOYSA-N -1 3 457.979 4.554 20 0 JJADHM CCCCc1nc(NC(=O)c2cc(Br)c(Cl)cc2OC)c(C(=O)OCC)[n-]1 ZINC001458954283 1067207435 /nfs/dbraw/zinc/20/74/35/1067207435.db2.gz LAMHSINSPPGMNF-UHFFFAOYSA-N -1 3 458.740 4.606 20 0 JJADHM CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001452107416 1067207674 /nfs/dbraw/zinc/20/76/74/1067207674.db2.gz ZAAHKEBTEIRMDH-SFHVURJKSA-N -1 3 458.559 4.596 20 0 JJADHM CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001452107416 1067207682 /nfs/dbraw/zinc/20/76/82/1067207682.db2.gz ZAAHKEBTEIRMDH-SFHVURJKSA-N -1 3 458.559 4.596 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)Nc1cc(-c2ccccc2)[nH]n1 ZINC001452523310 1067231024 /nfs/dbraw/zinc/23/10/24/1067231024.db2.gz FLGMVYYBMCNAEJ-UHFFFAOYSA-N -1 3 450.495 4.577 20 0 JJADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3CCC(C)(C)CC(C)(C)C3)c2)c1 ZINC001453117624 1067280310 /nfs/dbraw/zinc/28/03/10/1067280310.db2.gz DXLDMZMFXBGXMR-UHFFFAOYSA-N -1 3 454.567 4.950 20 0 JJADHM Cc1cccc(C)c1NC(=O)[C@@H](C)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001459413767 1067317905 /nfs/dbraw/zinc/31/79/05/1067317905.db2.gz GUGYBYBKWKIISL-HXUWFJFHSA-N -1 3 451.592 4.563 20 0 JJADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC[C@@H](c4ccc(CC)cc4)C3)nc(=O)c2c1C ZINC001460064500 1067543654 /nfs/dbraw/zinc/54/36/54/1067543654.db2.gz KCZKDLHTTGZQHN-VQIMIIECSA-N -1 3 453.608 4.973 20 0 JJADHM O=C([N-][C@H]1CN(CCOc2cccc3ccccc32)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001460364201 1067619073 /nfs/dbraw/zinc/61/90/73/1067619073.db2.gz MEKIYBWDRUHURZ-UNMCSNQZSA-N -1 3 460.471 4.894 20 0 JJADHM Cc1c([O-])ccc2c(CN3CCOc4cc(NC(=O)OC(C)(C)C)ccc4C3)cc(=O)oc12 ZINC001460675600 1067697013 /nfs/dbraw/zinc/69/70/13/1067697013.db2.gz ODDQFMZGOFDAFI-UHFFFAOYSA-N -1 3 452.507 4.549 20 0 JJADHM COc1ccc(C(=O)[N-]C(=O)CN(C)Cc2ccccc2Oc2ccc(F)c(Cl)c2)cc1 ZINC001460718650 1067708695 /nfs/dbraw/zinc/70/86/95/1067708695.db2.gz NTPIUKUGBGWHRG-UHFFFAOYSA-N -1 3 456.901 4.668 20 0 JJADHM CC(C)(C)OC(=O)c1cnc(C(=O)[N-]c2csnc2-c2cccc(C(F)(F)F)c2)cn1 ZINC001460996013 1067759764 /nfs/dbraw/zinc/75/97/64/1067759764.db2.gz UCNLGQPMCDNFAU-UHFFFAOYSA-N -1 3 450.442 4.827 20 0 JJADHM O=c1[n-]c(CNCc2cc(F)ccc2Oc2ccc(Cl)c(Cl)c2)nc2c1COCC2 ZINC001461704500 1067922352 /nfs/dbraw/zinc/92/23/52/1067922352.db2.gz NDZOJTFVBNMEMS-UHFFFAOYSA-N -1 3 450.297 4.783 20 0 JJADHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@H](c2ccccc2)N2CCCC2)c(Br)c1 ZINC001462704794 1068136972 /nfs/dbraw/zinc/13/69/72/1068136972.db2.gz AHVDKLJIQOXFPM-GOSISDBHSA-N -1 3 457.821 4.526 20 0 JJADHM CCOc1cccc2cc([C@@H](C)[N-]S(=O)(=O)c3c4ccccc4sc3C(=O)OC)oc21 ZINC001462741829 1068151212 /nfs/dbraw/zinc/15/12/12/1068151212.db2.gz IXZDROUUURSGBB-CYBMUJFWSA-N -1 3 459.545 4.872 20 0 JJADHM Cc1cc(S(=O)(=O)[N-][C@H](C)CCc2ccc(OC(C)C)cc2)c(F)cc1Br ZINC001462870305 1068197945 /nfs/dbraw/zinc/19/79/45/1068197945.db2.gz NTHZJGFGBAMZGH-OAHLLOKOSA-N -1 3 458.393 4.983 20 0 JJADHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2Br)N2CCCC2)cc1 ZINC001462952982 1068227554 /nfs/dbraw/zinc/22/75/54/1068227554.db2.gz HBTMLJCUROAJIF-SFHVURJKSA-N -1 3 457.821 4.526 20 0 JJADHM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC001463079798 1068280639 /nfs/dbraw/zinc/28/06/39/1068280639.db2.gz ZVKDLDBMFRIVOP-AWEZNQCLSA-N -1 3 458.285 4.687 20 0 JJADHM CC[C@@H](Cc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC001463197556 1068317236 /nfs/dbraw/zinc/31/72/36/1068317236.db2.gz VZMXJIFRUHYSBQ-ZDUSSCGKSA-N -1 3 454.283 4.907 20 0 JJADHM C[C@@H]([N-]S(=O)(=O)c1ccc(OCC2CCCCC2)cc1)c1nc(Cc2ccccc2)no1 ZINC001463264419 1068338663 /nfs/dbraw/zinc/33/86/63/1068338663.db2.gz BNTLEKIZTNVRSA-GOSISDBHSA-N -1 3 455.580 4.659 20 0 JJADHM COC(=O)c1cc2nc(NC(=O)CCc3ccc(C(C)(C)C)cc3)[n-]c2c(Br)c1 ZINC001463326262 1068357583 /nfs/dbraw/zinc/35/75/83/1068357583.db2.gz JKTDLCMRUYWMCD-UHFFFAOYSA-N -1 3 458.356 4.981 20 0 JJADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC001463329650 1068358187 /nfs/dbraw/zinc/35/81/87/1068358187.db2.gz RKLMJYBUQDWJEM-UHFFFAOYSA-N -1 3 456.470 4.750 20 0 JJADHM CC[C@@H](Cc1ccccc1Br)[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001463328382 1068358198 /nfs/dbraw/zinc/35/81/98/1068358198.db2.gz VIAWLQQBVRKBSK-INIZCTEOSA-N -1 3 451.411 4.872 20 0 JJADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC001463402032 1068385463 /nfs/dbraw/zinc/38/54/63/1068385463.db2.gz XGZNQANJQSFCAL-RDPSFJRHSA-N -1 3 453.535 4.752 20 0 JJADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001463431756 1068395368 /nfs/dbraw/zinc/39/53/68/1068395368.db2.gz FMKIHJGIQUOSAE-VLIAUNLRSA-N -1 3 454.926 4.644 20 0 JJADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001463431747 1068395470 /nfs/dbraw/zinc/39/54/70/1068395470.db2.gz FMKIHJGIQUOSAE-JLTOFOAXSA-N -1 3 454.926 4.644 20 0 JJADHM CC[C@H](C(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1)N(CC)CC ZINC001463562285 1068444396 /nfs/dbraw/zinc/44/43/96/1068444396.db2.gz RCBWGPLRGUYFFR-GOSISDBHSA-N -1 3 458.411 4.853 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)C=C3CCC(C)CC3)c2)cc1 ZINC001463583940 1068456138 /nfs/dbraw/zinc/45/61/38/1068456138.db2.gz UEIBVGYSOOPYSQ-UHFFFAOYSA-N -1 3 458.580 4.970 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cc(Cl)c(Cl)cc3N)cc2)cc1 ZINC001463637549 1068477677 /nfs/dbraw/zinc/47/76/77/1068477677.db2.gz ZMKPTNVOUDSWKA-UHFFFAOYSA-N -1 3 450.347 4.937 20 0 JJADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC001463651142 1068481585 /nfs/dbraw/zinc/48/15/85/1068481585.db2.gz NTLPIXODWDFFOV-PEBXRYMYSA-N -1 3 454.564 4.632 20 0 JJADHM O=S(=O)([N-][C@@H]1CCOc2c(Cl)c(Cl)ccc21)c1cc(Br)ccc1F ZINC001463658432 1068485157 /nfs/dbraw/zinc/48/51/57/1068485157.db2.gz MNIMFDQZKBIRTD-GFCCVEGCSA-N -1 3 455.132 4.697 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3(Cc4ccccc4)CC3)ccc2C)cc1 ZINC001463667450 1068489033 /nfs/dbraw/zinc/48/90/33/1068489033.db2.gz VBMKOYCXEQSPMJ-UHFFFAOYSA-N -1 3 450.560 4.766 20 0 JJADHM CC[C@H]([N-]S(=O)(=O)c1oc2ccccc2c1Br)c1ccc(OC)c(OC)c1 ZINC001463688804 1068494848 /nfs/dbraw/zinc/49/48/48/1068494848.db2.gz VJQBRYDNTJHICB-AWEZNQCLSA-N -1 3 454.342 4.642 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C/c3cccnc3C)ccc2C)cc1 ZINC001463693715 1068496006 /nfs/dbraw/zinc/49/60/06/1068496006.db2.gz KFVVRPIEOHNLAA-RIYZIHGNSA-N -1 3 451.548 4.550 20 0 JJADHM COc1ccc(NC(=O)CC2CCSCC2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC001463701314 1068499839 /nfs/dbraw/zinc/49/98/39/1068499839.db2.gz XPPUGDAUDQCVRT-UHFFFAOYSA-N -1 3 455.001 4.621 20 0 JJADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001463706521 1068500957 /nfs/dbraw/zinc/50/09/57/1068500957.db2.gz BURXDNZRUWSOIH-HZPDHXFCSA-N -1 3 456.377 4.849 20 0 JJADHM COc1ccc([C@H]([N-]S(=O)(=O)c2cccnc2Oc2ccc(F)cc2)c2ccco2)cc1 ZINC001463893609 1068557560 /nfs/dbraw/zinc/55/75/60/1068557560.db2.gz LKJLURWUVYEAOF-QFIPXVFZSA-N -1 3 454.479 4.683 20 0 JJADHM COc1ccc2c(c1)CCCN2C(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC001463903073 1068560468 /nfs/dbraw/zinc/56/04/68/1068560468.db2.gz GMGBUAXBEBZROX-UHFFFAOYSA-N -1 3 450.560 4.706 20 0 JJADHM O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)c1cc([O-])c2ccccc2c1 ZINC001463953130 1068573777 /nfs/dbraw/zinc/57/37/77/1068573777.db2.gz QWGDGZOGEAAUJH-JAIQZWGSSA-N -1 3 452.919 4.665 20 0 JJADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2C[C@H]2c2ccccc2)c(Br)c1 ZINC001463959219 1068575232 /nfs/dbraw/zinc/57/52/32/1068575232.db2.gz ALOKVMDOGBOVIC-KBPBESRZSA-N -1 3 459.203 4.602 20 0 JJADHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](Cc2ccccc2)c2ncco2)c(Br)c1 ZINC001463963383 1068576468 /nfs/dbraw/zinc/57/64/68/1068576468.db2.gz HIFJRKADVDCXHC-INIZCTEOSA-N -1 3 455.761 4.661 20 0 JJADHM CCc1ccc([O-])c(C(=O)N(CC(=O)Nc2ccccc2Br)Cc2ccco2)c1 ZINC001463967912 1068577188 /nfs/dbraw/zinc/57/71/88/1068577188.db2.gz NJPSNCMRJRVMJQ-UHFFFAOYSA-N -1 3 457.324 4.591 20 0 JJADHM O=C(NCc1cc(-c2ccccc2)no1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC001463987134 1068581448 /nfs/dbraw/zinc/58/14/48/1068581448.db2.gz TXRAKYYAKXEGRT-UHFFFAOYSA-N -1 3 458.699 4.529 20 0 JJADHM CC(C)COc1ccc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1Cl ZINC001464036134 1068595782 /nfs/dbraw/zinc/59/57/82/1068595782.db2.gz YAHPYMBNOLGCOV-UHFFFAOYSA-N -1 3 454.976 4.542 20 0 JJADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(CCC(F)(F)F)CCC(F)(F)F)cc1Cl ZINC001464084104 1068608379 /nfs/dbraw/zinc/60/83/79/1068608379.db2.gz LJBDPFNQOYHHEQ-UHFFFAOYSA-N -1 3 454.820 4.630 20 0 JJADHM O=S(=O)([N-][C@@H]1CCCO[C@H]1c1ccc(Cl)cc1)c1ccc(C(F)(F)F)nc1Cl ZINC001464326061 1068706710 /nfs/dbraw/zinc/70/67/10/1068706710.db2.gz HHKOPKBXTWLDEH-DOMZBBRYSA-N -1 3 455.285 4.606 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2c3ccccc3N(C(=O)OC(C)(C)C)C2(C)C)c(F)c1F ZINC001464346649 1068714010 /nfs/dbraw/zinc/71/40/10/1068714010.db2.gz DKQHBKMWSYLBHB-LJQANCHMSA-N -1 3 452.523 4.827 20 0 JJADHM CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001464567785 1068784552 /nfs/dbraw/zinc/78/45/52/1068784552.db2.gz ACTSDKPSQMZKTO-MOPGFXCFSA-N -1 3 459.974 4.576 20 0 JJADHM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1ccc(NC2CCCCC2)cc1 ZINC001464578660 1068789896 /nfs/dbraw/zinc/78/98/96/1068789896.db2.gz VDLGDYJFPKOGHG-UHFFFAOYSA-N -1 3 456.395 4.655 20 0 JJADHM Cc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)cn2)ccc1Oc1ccc(Cl)cc1Cl ZINC001464599768 1068795463 /nfs/dbraw/zinc/79/54/63/1068795463.db2.gz RLBZLOCMRNZUBZ-UHFFFAOYSA-N -1 3 455.305 4.599 20 0 JJADHM Cc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)cn2)ccc1Oc1ccc(Cl)cc1Cl ZINC001464599768 1068795475 /nfs/dbraw/zinc/79/54/75/1068795475.db2.gz RLBZLOCMRNZUBZ-UHFFFAOYSA-N -1 3 455.305 4.599 20 0 JJADHM C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccc(Oc2ccccc2)cc1 ZINC001464653871 1068812883 /nfs/dbraw/zinc/81/28/83/1068812883.db2.gz AYKWNDIVBPLCPC-MRXNPFEDSA-N -1 3 454.523 4.550 20 0 JJADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)/C(C)=C\c3ccc(C)cc3)c2)cc1 ZINC001435172395 1064566925 /nfs/dbraw/zinc/56/69/25/1064566925.db2.gz WTPFQVFYXZRMKF-CYVLTUHYSA-N -1 3 450.560 4.524 20 0 JJADHM COC(=O)CCCc1nnc([N-]C(=O)c2oc3cc(OC)ccc3c2-c2ccccc2)s1 ZINC001435262752 1064639400 /nfs/dbraw/zinc/63/94/00/1064639400.db2.gz DIWCOTHKGSCWHY-UHFFFAOYSA-N -1 3 451.504 4.708 20 0 JJADHM CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2csc(-c3cccc4ccccc43)n2)c1 ZINC001435280077 1064658096 /nfs/dbraw/zinc/65/80/96/1064658096.db2.gz WOHKBRADUXZPBU-UHFFFAOYSA-N -1 3 455.536 4.605 20 0 JJADHM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)o1 ZINC001435311372 1064685127 /nfs/dbraw/zinc/68/51/27/1064685127.db2.gz JEJCMEMPQPAEKZ-BEFAXECRSA-N -1 3 450.576 4.671 20 0 JJADHM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)o1 ZINC001435311376 1064685159 /nfs/dbraw/zinc/68/51/59/1064685159.db2.gz JEJCMEMPQPAEKZ-HNAYVOBHSA-N -1 3 450.576 4.671 20 0 JJADHM CCOC(=O)Cc1nnc([N-]C(=O)c2sc(-c3cc(Cl)ccc3Cl)nc2C)s1 ZINC001435629959 1064891229 /nfs/dbraw/zinc/89/12/29/1064891229.db2.gz VQJLTKVOFYZEOG-UHFFFAOYSA-N -1 3 457.364 4.635 20 0 JJADHM O=C(Nc1scnc1C1CC1)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC001435782552 1064989680 /nfs/dbraw/zinc/98/96/80/1064989680.db2.gz DODCLEUSVLBYGH-UHFFFAOYSA-N -1 3 451.932 4.866 20 0 JJADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)O[C@H]2CCc3cccnc32)c(Cl)cc1Cl ZINC001435930124 1065068527 /nfs/dbraw/zinc/06/85/27/1065068527.db2.gz CXWNAIUTGIBBJV-SJCJKPOMSA-N -1 3 457.379 4.700 20 0 JJADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)O[C@H]2CCc3cccnc32)c(Cl)cc1Cl ZINC001435930123 1065068630 /nfs/dbraw/zinc/06/86/30/1065068630.db2.gz CXWNAIUTGIBBJV-PXAZEXFGSA-N -1 3 457.379 4.700 20 0 JJADHM Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC001360185645 1065071627 /nfs/dbraw/zinc/07/16/27/1065071627.db2.gz WGRQKNYNDALKDO-UHFFFAOYSA-N -1 3 451.618 4.703 20 0 JJADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)c3cccc(C4CCC4)c3)c2)cc1 ZINC001360285002 1065124261 /nfs/dbraw/zinc/12/42/61/1065124261.db2.gz RYLPYYDTWYNJSU-UHFFFAOYSA-N -1 3 450.560 4.694 20 0 JJADHM CCc1c([N-]C(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)onc1C(F)(F)F ZINC001436176640 1065230267 /nfs/dbraw/zinc/23/02/67/1065230267.db2.gz QZDOZLVOICRXFB-UHFFFAOYSA-N -1 3 451.405 4.956 20 0 JJADHM Cc1cc(C2(C(=O)Nc3cc(-c4nnn[n-]4)ccc3F)CCCCC2)ccc1Br ZINC001436649735 1065417272 /nfs/dbraw/zinc/41/72/72/1065417272.db2.gz PWTPPHMZVVPDHZ-UHFFFAOYSA-N -1 3 458.335 4.917 20 0 JJADHM Cc1cc(C2(C(=O)Nc3cc(-c4nn[n-]n4)ccc3F)CCCCC2)ccc1Br ZINC001436649735 1065417302 /nfs/dbraw/zinc/41/73/02/1065417302.db2.gz PWTPPHMZVVPDHZ-UHFFFAOYSA-N -1 3 458.335 4.917 20 0 JJADHM CS[C@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2Cl)C1 ZINC001360506263 1065443775 /nfs/dbraw/zinc/44/37/75/1065443775.db2.gz AXRMMUIBJUSGMB-KGLIPLIRSA-N -1 3 456.992 4.684 20 0 JJADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)ccc1F ZINC001436860905 1065454780 /nfs/dbraw/zinc/45/47/80/1065454780.db2.gz VAWMPTGIMBCLPF-YJBOKZPZSA-N -1 3 452.979 4.622 20 0 JJADHM O=C([N-]c1nnc(-c2c(Cl)cccc2Cl)s1)c1cn(-c2cccc(Cl)c2)nn1 ZINC001438233457 1065701223 /nfs/dbraw/zinc/70/12/23/1065701223.db2.gz UZYUYXNWDBIZGG-UHFFFAOYSA-N -1 3 451.726 4.998 20 0 JJADHM Cc1cc(C(F)(F)F)nc(C(=O)[N-]c2cc(NC(=O)OC(C)(C)C)c(F)c(F)c2F)n1 ZINC001439459076 1065831083 /nfs/dbraw/zinc/83/10/83/1065831083.db2.gz LXAXQNRGCXRJQF-UHFFFAOYSA-N -1 3 450.339 4.820 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)/C=C/C3CCCCC3)c2)cc1 ZINC001440410431 1065939132 /nfs/dbraw/zinc/93/91/32/1065939132.db2.gz BTSXQEAVALXIQS-CXUHLZMHSA-N -1 3 458.580 4.970 20 0 JJADHM COc1ccc2c(c1)[C@H](C(=O)Nc1ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc1)CCC2 ZINC001440516489 1065946366 /nfs/dbraw/zinc/94/63/66/1065946366.db2.gz FIKVMCCLOKOOGD-HSZRJFAPSA-N -1 3 450.560 4.863 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cc(O)ccc3C(F)(F)F)cc2)cc1 ZINC001440520320 1065946752 /nfs/dbraw/zinc/94/67/52/1065946752.db2.gz PPKNTWUGANXDBL-UHFFFAOYSA-N -1 3 450.438 4.773 20 0 JJADHM CSc1ccc(O[C@@H](C)C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC001440522610 1065947187 /nfs/dbraw/zinc/94/71/87/1065947187.db2.gz ZMQYRIMPDJWHJS-KRWDZBQOSA-N -1 3 456.589 4.924 20 0 JJADHM CCNc1ccc(C)cc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC001440569649 1065951253 /nfs/dbraw/zinc/95/12/53/1065951253.db2.gz UAIJEDQMBGKGQY-UHFFFAOYSA-N -1 3 453.564 4.797 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CC[C@H]4CCCC[C@H]4C3)c2)cc1 ZINC001440709774 1065968999 /nfs/dbraw/zinc/96/89/99/1065968999.db2.gz YYMGTKGTFGCIBI-SVFBPWRDSA-N -1 3 456.608 4.893 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CC[C@H]4CCCC[C@@H]4C3)c2)cc1 ZINC001440709769 1065969060 /nfs/dbraw/zinc/96/90/60/1065969060.db2.gz YYMGTKGTFGCIBI-SFHLNBCPSA-N -1 3 456.608 4.893 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)c2)cc1 ZINC001440709767 1065969199 /nfs/dbraw/zinc/96/91/99/1065969199.db2.gz YYMGTKGTFGCIBI-QKNQBKEWSA-N -1 3 456.608 4.893 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](c3ccccc3)C(C)C)ccc2C)cc1 ZINC001440824765 1065981878 /nfs/dbraw/zinc/98/18/78/1065981878.db2.gz LMRDGJNWBMSUOZ-XMMPIXPASA-N -1 3 452.576 4.932 20 0 JJADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H](c1ccccc1)c1ccccn1 ZINC001440933952 1065995301 /nfs/dbraw/zinc/99/53/01/1065995301.db2.gz NKZPVEVYPUSTOO-AHKZPQOWSA-N -1 3 451.526 4.554 20 0 JJADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccc(F)cc3F)ccc2C)c(C)c1 ZINC001441126553 1066009516 /nfs/dbraw/zinc/00/95/16/1066009516.db2.gz XRZKPFNAAGRNKN-UHFFFAOYSA-N -1 3 458.530 4.929 20 0 JJADHM C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)C1 ZINC001441319789 1066027252 /nfs/dbraw/zinc/02/72/52/1066027252.db2.gz ZOJLGPKCUZEAFM-GASCZTMLSA-N -1 3 458.584 4.861 20 0 JJADHM C[C@@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1cccc(OC(F)F)c1 ZINC001441358930 1066034180 /nfs/dbraw/zinc/03/41/80/1066034180.db2.gz FCIDTXXWWBDWLC-ZHRRBRCNSA-N -1 3 454.473 4.732 20 0 JJADHM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC001441493245 1066046459 /nfs/dbraw/zinc/04/64/59/1066046459.db2.gz GTVXSRLHLMJMCQ-UHFFFAOYSA-N -1 3 452.511 4.773 20 0 JJADHM C[C@@H]1CN(c2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3[O-])cc2F)C[C@H](C)O1 ZINC001441558060 1066050594 /nfs/dbraw/zinc/05/05/94/1066050594.db2.gz JSBOBLUBGNVSSW-HDICACEKSA-N -1 3 450.510 4.976 20 0 JJADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(-c3ccc(Cl)c(Cl)c3)c2)ccc1F ZINC001441881607 1066077356 /nfs/dbraw/zinc/07/73/56/1066077356.db2.gz BCWLLJVYEPIMBK-UHFFFAOYSA-N -1 3 453.322 4.960 20 0 JJADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)c([O-])c1 ZINC001441885903 1066078144 /nfs/dbraw/zinc/07/81/44/1066078144.db2.gz FELLEIKLXUGCQL-CQSZACIVSA-N -1 3 453.391 4.745 20 0 JJADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NC(c2cccs2)c2cccs2)ccc1F ZINC001360975998 1066131740 /nfs/dbraw/zinc/13/17/40/1066131740.db2.gz PCMAZBSIOGLOQV-UHFFFAOYSA-N -1 3 452.598 4.545 20 0 JJADHM O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)c1nnc2ccccc2c1[O-] ZINC001442762152 1066158260 /nfs/dbraw/zinc/15/82/60/1066158260.db2.gz HGOKBLQXVANZIB-UHFFFAOYSA-N -1 3 452.392 4.859 20 0 JJADHM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1nc2ccc(Cl)cc2[nH]1 ZINC001454221403 1066255579 /nfs/dbraw/zinc/25/55/79/1066255579.db2.gz PSFXDJJBBFEFNV-CQSZACIVSA-N -1 3 454.939 4.508 20 0 JJADHM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1nc2ccc(Cl)cc2[nH]1 ZINC001454221402 1066255720 /nfs/dbraw/zinc/25/57/20/1066255720.db2.gz PSFXDJJBBFEFNV-AWEZNQCLSA-N -1 3 454.939 4.508 20 0 JJADHM Cc1ccc(C(=O)NCC[C@H]2CCCS2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC001454263866 1066260161 /nfs/dbraw/zinc/26/01/61/1066260161.db2.gz MXMZNMBBPIZPSH-MRXNPFEDSA-N -1 3 456.992 4.604 20 0 JJADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CC(C)(C)CC[C@H]3O)c2)cc1 ZINC001454568961 1066302032 /nfs/dbraw/zinc/30/20/32/1066302032.db2.gz QNTDFLPEMRMPCZ-DNQXCXABSA-N -1 3 472.651 4.808 20 0 JJADHM Cc1ccc(C(=O)NCCC(=O)Nc2nc([C@@H]3CCC[C@@H](C(F)(F)F)C3)cs2)c([O-])c1 ZINC001454706068 1066323266 /nfs/dbraw/zinc/32/32/66/1066323266.db2.gz FUCXUDSSFQAHOQ-ZIAGYGMSSA-N -1 3 455.502 4.752 20 0 JJADHM Cc1[nH]c(-c2cccc(C)c2)nc1C(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001454929519 1066343021 /nfs/dbraw/zinc/34/30/21/1066343021.db2.gz ZTAQMIPCNCAEFY-QGZVFWFLSA-N -1 3 456.468 4.506 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CC[C@]3(C)C3CCCCC3)ccc2C)cc1 ZINC001455107093 1066362124 /nfs/dbraw/zinc/36/21/24/1066362124.db2.gz DLWCALILZQBQQT-RUZDIDTESA-N -1 3 456.608 4.989 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)Nc1ccc(OCC(C)C)nc1 ZINC001443843552 1066374915 /nfs/dbraw/zinc/37/49/15/1066374915.db2.gz DDHDTMSRDDKHFB-UHFFFAOYSA-N -1 3 457.527 4.617 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3Cc4ccccc4[C@H](C)C3)ccc2C)cc1 ZINC001455472287 1066395121 /nfs/dbraw/zinc/39/51/21/1066395121.db2.gz QPWLAEDPAYNGMP-GOSISDBHSA-N -1 3 450.560 4.564 20 0 JJADHM COc1ccc([C@H](C)CCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC001444023659 1066395564 /nfs/dbraw/zinc/39/55/64/1066395564.db2.gz RIMJSTAUYGILMY-QGZVFWFLSA-N -1 3 456.539 4.559 20 0 JJADHM O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001444119759 1066408870 /nfs/dbraw/zinc/40/88/70/1066408870.db2.gz PDCZMRPVKYPQIA-IBGZPJMESA-N -1 3 456.464 4.890 20 0 JJADHM CCc1nc(C)c([C@H](C)N(C)C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC001444496466 1066467562 /nfs/dbraw/zinc/46/75/62/1066467562.db2.gz ASYIQXAZAYCUJH-UWJYYQICSA-N -1 3 451.592 4.800 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)c2)cc1 ZINC001444509948 1066470254 /nfs/dbraw/zinc/47/02/54/1066470254.db2.gz QXHSLBJWYPKFNQ-IBGZPJMESA-N -1 3 458.502 4.511 20 0 JJADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C3CCCC3)[nH]n2)c(Cl)cc1Cl ZINC001444622182 1066484975 /nfs/dbraw/zinc/48/49/75/1066484975.db2.gz TUOLLTRVKLFJRN-UHFFFAOYSA-N -1 3 459.399 4.561 20 0 JJADHM CC(C)(C)OC(=O)N1CCCC[C@@]12CCN(C(=O)c1cc(Cc3ccccc3)ccc1[O-])C2 ZINC001456130351 1066517185 /nfs/dbraw/zinc/51/71/85/1066517185.db2.gz LGBMZEVLQNKWQO-MHZLTWQESA-N -1 3 450.579 4.989 20 0 JJADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H](c1ccc(F)cc1F)C1CC1 ZINC001444970669 1066524507 /nfs/dbraw/zinc/52/45/07/1066524507.db2.gz AYNWLZJLFQHKLE-ILBGXUMGSA-N -1 3 450.485 4.799 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3C[C@H]3C3CCCCC3)ccc2C)cc1 ZINC001444972480 1066525089 /nfs/dbraw/zinc/52/50/89/1066525089.db2.gz FWQQJYHJGYUZHN-XZOQPEGZSA-N -1 3 456.608 4.893 20 0 JJADHM CS[C@@H]1CC[C@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(Cl)ccc3F)c2)C1 ZINC001445081485 1066537576 /nfs/dbraw/zinc/53/75/76/1066537576.db2.gz NJUWUVNERAJBEN-JKSUJKDBSA-N -1 3 456.992 4.602 20 0 JJADHM O=C([N-]c1nc(/C=C/c2ccccc2)cs1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC001456284218 1066555252 /nfs/dbraw/zinc/55/52/52/1066555252.db2.gz WYGJCIKWYJGIDT-MDZDMXLPSA-N -1 3 459.618 4.802 20 0 JJADHM CC(C)OC(=O)c1cc(NC(=O)c2cccc(OCc3ccccc3Br)c2)[n-]n1 ZINC001456332756 1066564333 /nfs/dbraw/zinc/56/43/33/1066564333.db2.gz MFPFLFIZGYQCAC-UHFFFAOYSA-N -1 3 458.312 4.569 20 0 JJADHM CC(C)OC(=O)c1cc(NC(=O)c2cccc(OCc3ccccc3Br)c2)n[n-]1 ZINC001456332756 1066564340 /nfs/dbraw/zinc/56/43/40/1066564340.db2.gz MFPFLFIZGYQCAC-UHFFFAOYSA-N -1 3 458.312 4.569 20 0 JJADHM Cc1ccc(Oc2ccccc2)c(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC001445456625 1066573044 /nfs/dbraw/zinc/57/30/44/1066573044.db2.gz RMVZQXOQCACARA-UHFFFAOYSA-N -1 3 454.548 4.955 20 0 JJADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)c2)cc1 ZINC001456414887 1066581441 /nfs/dbraw/zinc/58/14/41/1066581441.db2.gz RVBSTFNMTYRBCN-PWRODBHTSA-N -1 3 456.608 4.719 20 0 JJADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N3CCOC4(CCCC4)C3)ccc2C)c(C)c1 ZINC001445601275 1066594199 /nfs/dbraw/zinc/59/41/99/1066594199.db2.gz QRRBJLMIZRUOBG-UHFFFAOYSA-N -1 3 456.608 4.506 20 0 JJADHM Cc1nc2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cccc(Cl)c4)c3)cc2[nH]1 ZINC001445755518 1066614657 /nfs/dbraw/zinc/61/46/57/1066614657.db2.gz YCVONXUGMSGZHY-UHFFFAOYSA-N -1 3 454.939 4.886 20 0 JJADHM C[C@@H](c1ccccc1)n1ccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC001445860607 1066627944 /nfs/dbraw/zinc/62/79/44/1066627944.db2.gz BTYOEOWMBYTRBE-YADARESESA-N -1 3 454.530 4.698 20 0 JJADHM Cc1ccc(CSc2nc(NC(=O)c3ccc(C(=O)N(C)c4ccccc4)cc3)n[n-]2)cc1 ZINC001457162251 1066776996 /nfs/dbraw/zinc/77/69/96/1066776996.db2.gz CGLIOIPXHJBWFN-UHFFFAOYSA-N -1 3 457.559 4.934 20 0 JJADHM Cc1ccc(C(=O)N[C@H](CC(=O)Nc2cc(Br)ccc2[O-])c2ccccc2)cc1 ZINC001447279932 1066788240 /nfs/dbraw/zinc/78/82/40/1066788240.db2.gz WOVDHWDEVCUKAN-LJQANCHMSA-N -1 3 453.336 4.963 20 0 JJADHM O=C(c1cc2c(cc1[O-])OCO2)N(Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F ZINC001447580104 1066824860 /nfs/dbraw/zinc/82/48/60/1066824860.db2.gz OVCYSCNNKOZIFO-FQEVSTJZSA-N -1 3 459.420 4.516 20 0 JJADHM Cc1ccc2c(c1)C=C(C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c1)CO2 ZINC001457567712 1066864612 /nfs/dbraw/zinc/86/46/12/1066864612.db2.gz JUELLPZWQDLBEU-UHFFFAOYSA-N -1 3 452.507 4.658 20 0 JJADHM CCc1onc(-c2ccc(Br)cc2)c1C(=O)[N-]c1n[nH]c(-c2ccccc2F)n1 ZINC001457569095 1066865744 /nfs/dbraw/zinc/86/57/44/1066865744.db2.gz DHSPXZHNKWTXQS-UHFFFAOYSA-N -1 3 456.275 4.843 20 0 JJADHM C[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C1(c2ccccc2)CCCC1 ZINC001447869207 1066872266 /nfs/dbraw/zinc/87/22/66/1066872266.db2.gz SICDLDKMQPCTLE-KRWDZBQOSA-N -1 3 455.555 4.585 20 0 JJADHM Cc1ccc(-c2nc(NC(=O)c3cccnc3Sc3ccc(Br)cc3)n[n-]2)o1 ZINC001457686192 1066897277 /nfs/dbraw/zinc/89/72/77/1066897277.db2.gz JSNHJZWWNJVDNL-UHFFFAOYSA-N -1 3 456.325 4.934 20 0 JJADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@H](OC)C[C@H]3C)c2)cc1 ZINC001448231604 1066912026 /nfs/dbraw/zinc/91/20/26/1066912026.db2.gz UKYZTMRWGACDFA-KNQAVFIVSA-N -1 3 458.624 4.778 20 0 JJADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@@H](OC)C[C@@H]3C)c2)cc1 ZINC001448231609 1066912207 /nfs/dbraw/zinc/91/22/07/1066912207.db2.gz UKYZTMRWGACDFA-SIKLNZKXSA-N -1 3 458.624 4.778 20 0 JJADHM Cc1ccc(-c2ccnn2C)cc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001448551611 1066938950 /nfs/dbraw/zinc/93/89/50/1066938950.db2.gz TZUXFDHFEHVYLQ-XMMPIXPASA-N -1 3 454.530 4.601 20 0 JJADHM CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CCCC1 ZINC001448617476 1066942920 /nfs/dbraw/zinc/94/29/20/1066942920.db2.gz SSSMRXUFSZVUOP-HSZRJFAPSA-N -1 3 452.595 4.991 20 0 JJADHM CSc1ccc(CCNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)cc1 ZINC001448690738 1066952078 /nfs/dbraw/zinc/95/20/78/1066952078.db2.gz XCPRKQIRDYVKLX-UHFFFAOYSA-N -1 3 451.773 4.638 20 0 JJADHM O=C(Nc1ccc(Cl)c(CN2CCOCC2)c1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001448718768 1066953109 /nfs/dbraw/zinc/95/31/09/1066953109.db2.gz FNWOLSJYBNLMHX-UHFFFAOYSA-N -1 3 450.966 4.915 20 0 JJADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1cccnc1SCc1cccc(Br)c1 ZINC001450052721 1067044537 /nfs/dbraw/zinc/04/45/37/1067044537.db2.gz WHQFUBSRAKPALE-UHFFFAOYSA-N -1 3 455.337 4.971 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC(C)(C)c3ccccc3C)c2)cc1 ZINC001450157747 1067055306 /nfs/dbraw/zinc/05/53/06/1067055306.db2.gz FDDUEPWJSULWJO-UHFFFAOYSA-N -1 3 452.576 4.778 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC(C4CCCCC4)C3)c2)cc1 ZINC001450346431 1067072322 /nfs/dbraw/zinc/07/23/22/1067072322.db2.gz KCULWCKKZPSNKG-UHFFFAOYSA-N -1 3 456.608 4.847 20 0 JJADHM Cn1c2cc([O-])c(NC(=O)c3ccc(Oc4ccc(Cl)cc4Cl)cc3)cc2n(C)c1=O ZINC001450674251 1067101422 /nfs/dbraw/zinc/10/14/22/1067101422.db2.gz RPSVTLSMAIWOAS-UHFFFAOYSA-N -1 3 458.301 4.934 20 0 JJADHM COCc1nocc1C(=O)[N-]c1sc2c(c1C(=O)c1ccc(C(F)(F)F)cc1)CCC2 ZINC001458834118 1067163025 /nfs/dbraw/zinc/16/30/25/1067163025.db2.gz QUNPQDBHHGQCDE-UHFFFAOYSA-N -1 3 450.438 4.873 20 0 JJADHM Cc1ccc(C(=O)c2c3c(sc2[N-]C(=O)c2cc(COC(C)(C)C)on2)COCC3)cc1 ZINC001458835258 1067163635 /nfs/dbraw/zinc/16/36/35/1067163635.db2.gz JRUYOZSPFLVOQA-UHFFFAOYSA-N -1 3 454.548 4.916 20 0 JJADHM CCOC(=O)C(=C([O-])CSc1nccn1-c1c(CC)cccc1CC)c1nc(C)cs1 ZINC001458946172 1067204792 /nfs/dbraw/zinc/20/47/92/1067204792.db2.gz VJSAWCYTZLGDMQ-LJQANCHMSA-N -1 3 457.621 4.770 20 0 JJADHM CCCCc1nc(NC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)c(C(=O)OCC)[n-]1 ZINC001458954269 1067207419 /nfs/dbraw/zinc/20/74/19/1067207419.db2.gz KPVNCIMQSRYBCX-UHFFFAOYSA-N -1 3 450.326 4.674 20 0 JJADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2c(F)ccc(C(F)(F)F)c2Br)[n-]n1 ZINC001452130252 1067208298 /nfs/dbraw/zinc/20/82/98/1067208298.db2.gz IXRPCXZIZQAFBW-UHFFFAOYSA-N -1 3 452.202 4.538 20 0 JJADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2c(F)ccc(C(F)(F)F)c2Br)n[n-]1 ZINC001452130252 1067208304 /nfs/dbraw/zinc/20/83/04/1067208304.db2.gz IXRPCXZIZQAFBW-UHFFFAOYSA-N -1 3 452.202 4.538 20 0 JJADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCN(c2ccc(Br)cc2)CC1 ZINC001452949890 1067266534 /nfs/dbraw/zinc/26/65/34/1067266534.db2.gz FIYWHUSDKLOHLL-UHFFFAOYSA-N -1 3 453.336 4.909 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CCc4ccccc43)c2)cc1 ZINC001452986297 1067270982 /nfs/dbraw/zinc/27/09/82/1067270982.db2.gz AJUPUPFTKUHVSQ-XMMPIXPASA-N -1 3 450.560 4.612 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@H]1[C@H](c2ccccc2)C1(C)C ZINC001453880559 1067334248 /nfs/dbraw/zinc/33/42/48/1067334248.db2.gz WNELEYBFZTWVGO-GOTSBHOMSA-N -1 3 452.551 4.857 20 0 JJADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC[C@@H](c4ccc(CC)cc4)C3)nc(=O)c2c1C ZINC001460064495 1067543740 /nfs/dbraw/zinc/54/37/40/1067543740.db2.gz KCZKDLHTTGZQHN-QFBILLFUSA-N -1 3 453.608 4.973 20 0 JJADHM CCCc1ccc(CN2CC[C@@H](c3ccc(OC)c(F)c3)[C@@H]([N-]C(=O)C(F)(F)F)C2)cc1 ZINC001460369496 1067619997 /nfs/dbraw/zinc/61/99/97/1067619997.db2.gz ZPHVIJYSRBLDQX-FPOVZHCZSA-N -1 3 452.492 4.823 20 0 JJADHM O=C([N-][C@@H]1CN(Cc2ccccc2Oc2cccnc2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001460464033 1067638520 /nfs/dbraw/zinc/63/85/20/1067638520.db2.gz SNWFAUOKBHSGPI-FGZHOGPDSA-N -1 3 455.480 4.911 20 0 JJADHM CCCc1c(C(=O)[N-]c2nnc(C3CCOCC3)s2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001460526358 1067650717 /nfs/dbraw/zinc/65/07/17/1067650717.db2.gz NXQSJHTURPKDLZ-UHFFFAOYSA-N -1 3 454.600 4.515 20 0 JJADHM Cc1c(Cl)cccc1NC(=O)[C@H](C)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001460652270 1067687837 /nfs/dbraw/zinc/68/78/37/1067687837.db2.gz OWTYTURAHKNSQH-GJZGRUSLSA-N -1 3 453.892 4.648 20 0 JJADHM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CN1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001460667290 1067694129 /nfs/dbraw/zinc/69/41/29/1067694129.db2.gz RBFLHROULWONNI-KRWDZBQOSA-N -1 3 451.436 4.780 20 0 JJADHM O=C([N-][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)C(F)(F)c1ccc(Br)cc1 ZINC001460863399 1067736857 /nfs/dbraw/zinc/73/68/57/1067736857.db2.gz AMYROOBNAJYSDH-DLBZAZTESA-N -1 3 477.271 4.687 20 0 JJADHM O=C(Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(CCC(F)(F)F)cc1 ZINC001461826540 1067942793 /nfs/dbraw/zinc/94/27/93/1067942793.db2.gz JVRULNBMWYRIML-UHFFFAOYSA-N -1 3 457.861 4.643 20 0 JJADHM O=C(Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(CCC(F)(F)F)cc1 ZINC001461826540 1067942799 /nfs/dbraw/zinc/94/27/99/1067942799.db2.gz JVRULNBMWYRIML-UHFFFAOYSA-N -1 3 457.861 4.643 20 0 JJADHM Cc1nn(-c2ccc(Br)cc2)cc1CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001461971990 1067972547 /nfs/dbraw/zinc/97/25/47/1067972547.db2.gz SZIKDRXYCZYSLQ-UHFFFAOYSA-N -1 3 454.368 4.744 20 0 JJADHM Cc1sc(C)c(S(=O)(=O)Oc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c1C ZINC001462729312 1068145965 /nfs/dbraw/zinc/14/59/65/1068145965.db2.gz IXBLJBMNWOYVBV-UHFFFAOYSA-N -1 3 451.591 4.550 20 0 JJADHM O=S(=O)([N-]CCc1ccc(OC(F)(F)F)cc1)c1cc(Br)ccc1Cl ZINC001462853801 1068191699 /nfs/dbraw/zinc/19/16/99/1068191699.db2.gz NYJQWTIVSTUBQW-UHFFFAOYSA-N -1 3 458.683 4.522 20 0 JJADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)COc2ccc(C(C)(C)C)cc2)c(F)cc1Br ZINC001462895815 1068206633 /nfs/dbraw/zinc/20/66/33/1068206633.db2.gz YEHDUVRFBSFMFD-AWEZNQCLSA-N -1 3 458.393 4.940 20 0 JJADHM O=S(=O)([N-][C@@H]1CCCc2cc(OC(F)F)ccc21)c1ccc(Br)cc1F ZINC001462933278 1068220325 /nfs/dbraw/zinc/22/03/25/1068220325.db2.gz ZIAVWVUPICUVOF-OAHLLOKOSA-N -1 3 450.276 4.546 20 0 JJADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(Oc3ccccc3)nc2)c(F)cc1Br ZINC001462967972 1068232402 /nfs/dbraw/zinc/23/24/02/1068232402.db2.gz OSMPVBQMQONWPW-UHFFFAOYSA-N -1 3 451.317 4.562 20 0 JJADHM C[C@@H](Cc1ccc(Cl)cc1Cl)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001462985561 1068240011 /nfs/dbraw/zinc/24/00/11/1068240011.db2.gz QFZUMVDXTBTASA-QMMMGPOBSA-N -1 3 458.592 4.714 20 0 JJADHM O=S(=O)([N-]CCCO[C@H]1CCCc2ccccc21)c1c(Cl)cccc1Br ZINC001463103683 1068288968 /nfs/dbraw/zinc/28/89/68/1068288968.db2.gz BNMRUERRMMVLJP-SFHVURJKSA-N -1 3 458.805 4.865 20 0 JJADHM Cc1cc(S(=O)(=O)[N-]CCc2nc3cc(Cl)ccc3s2)sc1Br ZINC001463287792 1068345435 /nfs/dbraw/zinc/34/54/35/1068345435.db2.gz MPJBBRYZHBCNSK-UHFFFAOYSA-N -1 3 451.820 4.603 20 0 JJADHM CCCC[C@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC001463305037 1068350621 /nfs/dbraw/zinc/35/06/21/1068350621.db2.gz CYLPOZHIMXRLBE-CYBMUJFWSA-N -1 3 458.930 4.721 20 0 JJADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3c(C)nn(Cc4ccc(Cl)cc4)c3C)nc21 ZINC001463313757 1068352634 /nfs/dbraw/zinc/35/26/34/1068352634.db2.gz LHWQZCNZSJCVIZ-UHFFFAOYSA-N -1 3 451.914 4.507 20 0 JJADHM CCOC(=O)c1cccc2[n-]c(NC(=O)Cc3csc4ccc(Br)cc34)nc21 ZINC001463313786 1068352867 /nfs/dbraw/zinc/35/28/67/1068352867.db2.gz MOQZAGQSIRQTCN-UHFFFAOYSA-N -1 3 458.337 4.898 20 0 JJADHM Cc1nc(S(=O)(=O)[N-]Cc2cn(-c3ccccc3)nc2C(C)C)c(-c2ccccc2)s1 ZINC001463329120 1068358295 /nfs/dbraw/zinc/35/82/95/1068358295.db2.gz XAWCZBZAZWIOOA-UHFFFAOYSA-N -1 3 452.605 4.906 20 0 JJADHM C[C@H](Cc1cccnc1)[N-]C(=O)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1 ZINC001463350650 1068367426 /nfs/dbraw/zinc/36/74/26/1068367426.db2.gz BIPHCMQTQVMHOY-SNVBAGLBSA-N -1 3 453.205 4.582 20 0 JJADHM COC(=O)c1cc2ccccc2cc1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccc(C)cc1 ZINC001463471919 1068413018 /nfs/dbraw/zinc/41/30/18/1068413018.db2.gz NRJUGOHUYPOMSR-LJQANCHMSA-N -1 3 451.466 4.907 20 0 JJADHM CN1CCCc2ccc(S(=O)(=O)[N-][C@@H](c3ccccc3C(F)(F)F)C(F)(F)F)cc21 ZINC001463507566 1068423248 /nfs/dbraw/zinc/42/32/48/1068423248.db2.gz WPFDHGZWJBTNGV-KRWDZBQOSA-N -1 3 452.420 4.670 20 0 JJADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2F)C(C)C)c(C)c1Cl ZINC001463557341 1068440239 /nfs/dbraw/zinc/44/02/39/1068440239.db2.gz ZKDWFLIRAULZPP-AWEZNQCLSA-N -1 3 454.372 4.965 20 0 JJADHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)OC(C)C ZINC001463560781 1068443559 /nfs/dbraw/zinc/44/35/59/1068443559.db2.gz HYFZRKBJFQWRRI-KRWDZBQOSA-N -1 3 451.894 4.812 20 0 JJADHM CCCN1CCCC[C@@H]1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001463564929 1068446574 /nfs/dbraw/zinc/44/65/74/1068446574.db2.gz PKHNDBDFUKGEDY-HXUWFJFHSA-N -1 3 450.004 4.652 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)[C@H]3CCCC4(CC4)C3)c2)cc1 ZINC001463583470 1068456238 /nfs/dbraw/zinc/45/62/38/1068456238.db2.gz RUENGUKTXXPCLH-KRWDZBQOSA-N -1 3 458.580 4.804 20 0 JJADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC001463651143 1068481601 /nfs/dbraw/zinc/48/16/01/1068481601.db2.gz NTLPIXODWDFFOV-RCDICMHDSA-N -1 3 454.564 4.632 20 0 JJADHM O=S(=O)([N-][C@H](c1ccc(F)cc1)C(F)(F)F)c1c[nH]c2cc(Br)ccc21 ZINC001463655179 1068483025 /nfs/dbraw/zinc/48/30/25/1068483025.db2.gz FJGCFZAFMSUIDG-OAHLLOKOSA-N -1 3 451.239 4.651 20 0 JJADHM O=C(C[C@@H]1CCCC[C@H]1O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC001463654995 1068483294 /nfs/dbraw/zinc/48/32/94/1068483294.db2.gz ATBXNQLYUVKCBJ-SCLBCKFNSA-N -1 3 457.379 4.674 20 0 JJADHM CCN(C)[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1)c1ccccc1 ZINC001463670988 1068489672 /nfs/dbraw/zinc/48/96/72/1068489672.db2.gz CGPJDSHWBXEPEM-XMMPIXPASA-N -1 3 451.592 4.736 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccc(Cl)c3N)ccc2C)cc1 ZINC001463694218 1068495974 /nfs/dbraw/zinc/49/59/74/1068495974.db2.gz MOFVXUUKDLAHCM-UHFFFAOYSA-N -1 3 459.955 4.682 20 0 JJADHM O=S(=O)([N-][C@H]1CCc2c1ccc(F)c2Br)c1csnc1-c1ccccc1 ZINC001463734129 1068507366 /nfs/dbraw/zinc/50/73/66/1068507366.db2.gz LJFBBGYJSYNSKW-HNNXBMFYSA-N -1 3 453.358 4.678 20 0 JJADHM O=S(=O)([N-]CC1(c2ccc(Br)cc2Cl)CC1)c1ccc(Cl)cc1F ZINC001463769860 1068518745 /nfs/dbraw/zinc/51/87/45/1068518745.db2.gz XBSHPNOUXUXVGU-UHFFFAOYSA-N -1 3 453.160 4.905 20 0 JJADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)s1 ZINC001463836517 1068541813 /nfs/dbraw/zinc/54/18/13/1068541813.db2.gz JUGIMVIZWGKIFV-INIZCTEOSA-N -1 3 450.992 4.710 20 0 JJADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2cccc(Oc3ccc(F)cc3)n2)s1 ZINC001464020714 1068591069 /nfs/dbraw/zinc/59/10/69/1068591069.db2.gz SZHHCBROZYHALS-UHFFFAOYSA-N -1 3 457.346 4.624 20 0 JJADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3cccc(OC4CCCC4)c3)cs2)c1 ZINC001464023860 1068591552 /nfs/dbraw/zinc/59/15/52/1068591552.db2.gz DXFCHYJRVHCZFN-UHFFFAOYSA-N -1 3 451.548 4.912 20 0 JJADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1CSCc2ccc(Br)cc21 ZINC001464029689 1068593455 /nfs/dbraw/zinc/59/34/55/1068593455.db2.gz MRJQZRHXUMIKTE-MRXNPFEDSA-N -1 3 456.358 4.909 20 0 JJADHM O=S(=O)([N-]CCc1c2ccccc2[nH]c1C(F)(F)F)c1csc(-c2ccccc2)n1 ZINC001464237622 1068669197 /nfs/dbraw/zinc/66/91/97/1068669197.db2.gz DPSMYHUPPYCXEV-UHFFFAOYSA-N -1 3 451.495 4.831 20 0 JJADHM Cc1ccc(Br)cc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001464274950 1068686199 /nfs/dbraw/zinc/68/61/99/1068686199.db2.gz UZAUETPSWUOTGE-NRFANRHFSA-N -1 3 453.336 4.963 20 0 JJADHM O=C(C[N-]S(=O)(=O)Cc1cccc(Cl)c1Br)c1cc2ccccc2s1 ZINC001464310525 1068700919 /nfs/dbraw/zinc/70/09/19/1068700919.db2.gz DKRTYEWUWNIQJB-UHFFFAOYSA-N -1 3 458.786 4.620 20 0 JJADHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](Cc2cccnc2)C2CCCC2)c(Br)c1 ZINC001464350619 1068715730 /nfs/dbraw/zinc/71/57/30/1068715730.db2.gz UDMFXROOMJRFQN-GOSISDBHSA-N -1 3 457.821 4.886 20 0 JJADHM CCC(CC)[C@H](NC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21)c1cccs1 ZINC001464398704 1068731934 /nfs/dbraw/zinc/73/19/34/1068731934.db2.gz AOAFWTMVPPTIIT-FQEVSTJZSA-N -1 3 451.548 4.962 20 0 JJADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)s1 ZINC001464470187 1068758470 /nfs/dbraw/zinc/75/84/70/1068758470.db2.gz IOJNRYBERHSFNJ-CYBMUJFWSA-N -1 3 453.948 4.954 20 0 JJADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N(Cc3cccs3)C(C)C)c2)c1 ZINC001464492528 1068765296 /nfs/dbraw/zinc/76/52/96/1068765296.db2.gz ZLGYDTYTKJQJHC-UHFFFAOYSA-N -1 3 454.548 4.774 20 0 JJADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 ZINC001464633846 1068805755 /nfs/dbraw/zinc/80/57/55/1068805755.db2.gz XXCLYJZYMDGERW-GOSISDBHSA-N -1 3 453.546 4.885 20 0 JJADHM C[C@@]1([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001464683481 1068823897 /nfs/dbraw/zinc/82/38/97/1068823897.db2.gz BRWYRIMTTSXWGQ-WMZHIEFXSA-N -1 3 476.429 4.725 20 0 JJADHM O=C(CC1CCC2(CC1)CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2)N1CC=CC1 ZINC001164777445 721328713 /nfs/dbraw/zinc/32/87/13/721328713.db2.gz NKQOLKJLNOTNBM-UHFFFAOYSA-N -1 3 456.990 4.529 20 0 JJADHM C[C@@H](CO[N-]C(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccccc1)NC(=O)OC(C)(C)C ZINC001545858549 1064266528 /nfs/dbraw/zinc/26/65/28/1064266528.db2.gz RWOHZPRJGCCUEU-INIZCTEOSA-N -1 3 455.530 4.868 20 0 JJADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC2(c3ccc(Cl)cc3)CCCCC2)ccc1F ZINC001434982205 1064399004 /nfs/dbraw/zinc/39/90/04/1064399004.db2.gz RBCIGHFASZRLJB-UHFFFAOYSA-N -1 3 452.979 4.755 20 0 JJADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)CCSC)c(Cl)cc1Cl ZINC001435221194 1064601463 /nfs/dbraw/zinc/60/14/63/1064601463.db2.gz MXCNEQWGNRHWDO-CHWSQXEVSA-N -1 3 455.473 4.674 20 0 JJADHM CC(C)[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1ccc(Cl)cc1F ZINC001435848577 1065021646 /nfs/dbraw/zinc/02/16/46/1065021646.db2.gz CCTCTCGJQGWJDA-LJQANCHMSA-N -1 3 458.958 4.822 20 0 JJADHM CCCCc1nc(NC(=O)c2ccc(Sc3ccccc3Cl)nn2)c(C(=O)OCC)[n-]1 ZINC001435888424 1065045456 /nfs/dbraw/zinc/04/54/56/1065045456.db2.gz ZSEBIDKXNRWRQO-UHFFFAOYSA-N -1 3 459.959 4.776 20 0 JJADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)O[C@@H]2CCc3cccnc32)c(Cl)cc1Cl ZINC001435930125 1065068717 /nfs/dbraw/zinc/06/87/17/1065068717.db2.gz CXWNAIUTGIBBJV-SJKOYZFVSA-N -1 3 457.379 4.700 20 0 JJADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)/C(C)=C/C3CCC(C)CC3)c2)cc1 ZINC001360284506 1065123581 /nfs/dbraw/zinc/12/35/81/1065123581.db2.gz BTVRVIXFWDYZFJ-XDJHFCHBSA-N -1 3 456.608 4.885 20 0 JJADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3sc4cccc(C)c4c3Cl)c2)[n-]1 ZINC001436099421 1065179248 /nfs/dbraw/zinc/17/92/48/1065179248.db2.gz LMPZBLULVWPZJS-UHFFFAOYSA-N -1 3 454.939 4.755 20 0 JJADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3sc4cccc(C)c4c3Cl)c2)n[n-]1 ZINC001436099421 1065179253 /nfs/dbraw/zinc/17/92/53/1065179253.db2.gz LMPZBLULVWPZJS-UHFFFAOYSA-N -1 3 454.939 4.755 20 0 JJADHM CS[C@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2Cl)C1 ZINC001360506262 1065443869 /nfs/dbraw/zinc/44/38/69/1065443869.db2.gz AXRMMUIBJUSGMB-KBPBESRZSA-N -1 3 456.992 4.684 20 0 JJADHM Cc1cc2nc([N-]C(=O)c3cc(COc4ccc(Cl)cc4Cl)on3)cc(Cl)n2n1 ZINC001437860424 1065620703 /nfs/dbraw/zinc/62/07/03/1065620703.db2.gz BDNIJRCPFHDVQO-UHFFFAOYSA-N -1 3 452.685 4.817 20 0 JJADHM Cc1csc(-c2cccc(C(=O)Nc3[n-]ncc3S(=O)(=O)c3ccc(Cl)cc3)c2)n1 ZINC001438032720 1065655725 /nfs/dbraw/zinc/65/57/25/1065655725.db2.gz MUAOWGIEEHTJNU-UHFFFAOYSA-N -1 3 458.952 4.580 20 0 JJADHM Cc1csc(-c2cccc(C(=O)Nc3n[n-]cc3S(=O)(=O)c3ccc(Cl)cc3)c2)n1 ZINC001438032720 1065655738 /nfs/dbraw/zinc/65/57/38/1065655738.db2.gz MUAOWGIEEHTJNU-UHFFFAOYSA-N -1 3 458.952 4.580 20 0 JJADHM CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C(=O)Nc2n[n-]c(-c3ccco3)n2)CC1 ZINC001439514663 1065837488 /nfs/dbraw/zinc/83/74/88/1065837488.db2.gz ZSMJRXJTMGQEKM-UHFFFAOYSA-N -1 3 451.527 4.507 20 0 JJADHM O=C(N[C@@H](c1ccccn1)C1CC1)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC001439542210 1065839215 /nfs/dbraw/zinc/83/92/15/1065839215.db2.gz XZKWBHKGCIXGCU-OAQYLSRUSA-N -1 3 459.930 4.556 20 0 JJADHM O=C([N-]c1c(F)ccc(Br)c1F)c1cnn(-c2ccccc2)c1Br ZINC001439798602 1065880020 /nfs/dbraw/zinc/88/00/20/1065880020.db2.gz XASZFVKURZFEMO-UHFFFAOYSA-N -1 3 457.072 4.928 20 0 JJADHM Cc1nc2cccc(C(=O)Nc3ccc(C)c(S(=O)(=O)[N-]c4cccc(Cl)c4)c3)c2[nH]1 ZINC001440382864 1065935644 /nfs/dbraw/zinc/93/56/44/1065935644.db2.gz HILHHQXWJJHVCJ-UHFFFAOYSA-N -1 3 454.939 4.886 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccc4[nH]c(C(F)F)nc43)cc2)cc1 ZINC001440522081 1065947309 /nfs/dbraw/zinc/94/73/09/1065947309.db2.gz WWEGSKQHSCOMAW-UHFFFAOYSA-N -1 3 456.474 4.862 20 0 JJADHM C[C@H]1C(=O)CC[C@H]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC001440563834 1065950312 /nfs/dbraw/zinc/95/03/12/1065950312.db2.gz JFXBKCUGIHPDNK-OLZOCXBDSA-N -1 3 455.363 4.738 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc4cccc(F)c4o3)ccc2C)cc1 ZINC001440569668 1065951261 /nfs/dbraw/zinc/95/12/61/1065951261.db2.gz UYEVJCBEQYBPTN-UHFFFAOYSA-N -1 3 454.479 4.942 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccc(OC)c3F)ccc2C)cc1 ZINC001440594734 1065953264 /nfs/dbraw/zinc/95/32/64/1065953264.db2.gz BAGGRWNZKRCAFW-UHFFFAOYSA-N -1 3 458.511 4.595 20 0 JJADHM COc1ccc(NC(=O)C[C@@H](C)C(F)(F)F)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC001440593494 1065953318 /nfs/dbraw/zinc/95/33/18/1065953318.db2.gz ICWJADJQEJJZKN-LLVKDONJSA-N -1 3 450.866 4.676 20 0 JJADHM CC(=O)c1ccc(C(=O)N2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)cc1[O-] ZINC001440649925 1065958729 /nfs/dbraw/zinc/95/87/29/1065958729.db2.gz HVPHWKIIAFMIQQ-UHFFFAOYSA-N -1 3 454.979 4.935 20 0 JJADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3nc4c(s3)C[C@@H](C)CC4)c2)cc1 ZINC001440658014 1065959338 /nfs/dbraw/zinc/95/93/38/1065959338.db2.gz FKFGAMSHEXSHLW-HNNXBMFYSA-N -1 3 455.605 4.938 20 0 JJADHM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1O ZINC001440737286 1065973242 /nfs/dbraw/zinc/97/32/42/1065973242.db2.gz JGDGYFLLTKRZFL-UHFFFAOYSA-N -1 3 454.401 4.603 20 0 JJADHM CCc1ccc(C(=O)N(CC(=O)Nc2ccccc2Br)Cc2ccco2)c([O-])c1 ZINC001440960110 1065997250 /nfs/dbraw/zinc/99/72/50/1065997250.db2.gz MADAJFVUTQZRAQ-UHFFFAOYSA-N -1 3 457.324 4.591 20 0 JJADHM Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2ccc(Br)cc2[O-])c2ccccc2)cc1 ZINC001441341831 1066030344 /nfs/dbraw/zinc/03/03/44/1066030344.db2.gz MKBREBYBZYFGFT-FQEVSTJZSA-N -1 3 453.336 4.963 20 0 JJADHM C[C@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1cccc(OC(F)F)c1 ZINC001441358924 1066034055 /nfs/dbraw/zinc/03/40/55/1066034055.db2.gz FCIDTXXWWBDWLC-AOMKIAJQSA-N -1 3 454.473 4.732 20 0 JJADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2CN2CCc3ccccc32)c(Cl)c1 ZINC001441805142 1066070845 /nfs/dbraw/zinc/07/08/45/1066070845.db2.gz ZTNHJRXUBKBMKM-UHFFFAOYSA-N -1 3 455.967 4.527 20 0 JJADHM CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)C1 ZINC001545945436 1066083406 /nfs/dbraw/zinc/08/34/06/1066083406.db2.gz SUGILVXXFREUTH-IBGZPJMESA-N -1 3 457.527 4.812 20 0 JJADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NCCOC3CCCCC3)ccc2C)c(C)c1 ZINC001442104277 1066093809 /nfs/dbraw/zinc/09/38/09/1066093809.db2.gz FDLWWHVLBWIYNT-UHFFFAOYSA-N -1 3 458.624 4.800 20 0 JJADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC2(Cc3ccc(Br)cc3)CCCCC2)c1 ZINC001442847328 1066230784 /nfs/dbraw/zinc/23/07/84/1066230784.db2.gz OLZHDUBXGPGLNO-UHFFFAOYSA-N -1 3 457.368 4.955 20 0 JJADHM O=C(NCC1CCc2ccccc2CC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001454012641 1066235054 /nfs/dbraw/zinc/23/50/54/1066235054.db2.gz FUFKVBMGSFZAND-UHFFFAOYSA-N -1 3 452.551 4.552 20 0 JJADHM CN(C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1cccc(OC(F)(F)F)c1 ZINC001443268959 1066288727 /nfs/dbraw/zinc/28/87/27/1066288727.db2.gz VZYYHRMFQKBLBY-NRFANRHFSA-N -1 3 458.436 4.815 20 0 JJADHM O=C(NCc1ccsc1C(F)(F)F)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001454541852 1066298449 /nfs/dbraw/zinc/29/84/49/1066298449.db2.gz PWBCKFFSLUGFNE-UHFFFAOYSA-N -1 3 458.458 4.637 20 0 JJADHM C[C@@H](Cc1cncc2ccccc21)C(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001454940216 1066344509 /nfs/dbraw/zinc/34/45/09/1066344509.db2.gz ZVDHJMVEIQPIGA-FUHWJXTLSA-N -1 3 455.480 4.612 20 0 JJADHM O=C(N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001455067932 1066357345 /nfs/dbraw/zinc/35/73/45/1066357345.db2.gz URMIDPZYWSOCTF-XLIONFOSSA-N -1 3 461.743 4.594 20 0 JJADHM COc1ccc([C@@H](C)CCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC001444023656 1066395840 /nfs/dbraw/zinc/39/58/40/1066395840.db2.gz RIMJSTAUYGILMY-KRWDZBQOSA-N -1 3 456.539 4.559 20 0 JJADHM O=C(NC1(c2nccs2)CCCC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC001444056667 1066397788 /nfs/dbraw/zinc/39/77/88/1066397788.db2.gz BXGJMJHIFJXDQX-UHFFFAOYSA-N -1 3 452.761 4.600 20 0 JJADHM Cc1ccc(COc2cccc(NC(=O)CCc3c(C)nc(-c4ccncc4)[n-]c3=O)c2)cc1 ZINC001444174526 1066425604 /nfs/dbraw/zinc/42/56/04/1066425604.db2.gz AXYIHIAGPFDUAQ-UHFFFAOYSA-N -1 3 454.530 4.599 20 0 JJADHM Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)c3ccccc3Oc3ccc(Cl)cc3Cl)C2)n1 ZINC001455757575 1066427981 /nfs/dbraw/zinc/42/79/81/1066427981.db2.gz FRPXGVYEKAHRHE-OAHLLOKOSA-N -1 3 459.333 4.598 20 0 JJADHM Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)c3ccccc3Nc3ccc(Cl)c(Cl)c3)C2)n1 ZINC001455751220 1066428279 /nfs/dbraw/zinc/42/82/79/1066428279.db2.gz DTAMIFHVBZGOPZ-HNNXBMFYSA-N -1 3 458.349 4.550 20 0 JJADHM O=C(Nc1ccc(F)cc1OCC1CC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001444354031 1066453884 /nfs/dbraw/zinc/45/38/84/1066453884.db2.gz SBAJGFGWLJBISE-UHFFFAOYSA-N -1 3 458.486 4.807 20 0 JJADHM CC(C)(C)OCc1ccccc1NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001455943937 1066457037 /nfs/dbraw/zinc/45/70/37/1066457037.db2.gz NILXVOSIOCMWOA-UHFFFAOYSA-N -1 3 459.395 4.616 20 0 JJADHM Cc1c(C(=O)N2CCSC[C@@H]2C)sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC001444627708 1066486137 /nfs/dbraw/zinc/48/61/37/1066486137.db2.gz SFVSHTPXZKBQHC-AWEZNQCLSA-N -1 3 459.662 4.780 20 0 JJADHM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(CN(C)C)c(F)c3)ccc2C)cc1 ZINC001444943598 1066520622 /nfs/dbraw/zinc/52/06/22/1066520622.db2.gz JTTIBLJXKHSDFT-UHFFFAOYSA-N -1 3 455.555 4.557 20 0 JJADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H](c1ccc(F)cc1F)C1CC1 ZINC001444970671 1066524435 /nfs/dbraw/zinc/52/44/35/1066524435.db2.gz AYNWLZJLFQHKLE-UKILVPOCSA-N -1 3 450.485 4.799 20 0 JJADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC001444970611 1066524592 /nfs/dbraw/zinc/52/45/92/1066524592.db2.gz KKISATQTWYQFOE-MWTRTKDXSA-N -1 3 456.514 4.989 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H]3C[C@@H]3C3CCCCC3)ccc2C)cc1 ZINC001444972471 1066525027 /nfs/dbraw/zinc/52/50/27/1066525027.db2.gz FWQQJYHJGYUZHN-PKTZIBPZSA-N -1 3 456.608 4.893 20 0 JJADHM CS[C@@H]1CC[C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(Cl)ccc3F)c2)C1 ZINC001445081481 1066537532 /nfs/dbraw/zinc/53/75/32/1066537532.db2.gz NJUWUVNERAJBEN-HZPDHXFCSA-N -1 3 456.992 4.602 20 0 JJADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001445378133 1066564961 /nfs/dbraw/zinc/56/49/61/1066564961.db2.gz OIZOISUXGJHLSX-NQIIRXRSSA-N -1 3 452.551 4.720 20 0 JJADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2cccc(F)c2)c2cccc(Br)c2)c1 ZINC001445752090 1066614585 /nfs/dbraw/zinc/61/45/85/1066614585.db2.gz ZTBROMYZOLMALE-OAQYLSRUSA-N -1 3 457.299 4.772 20 0 JJADHM O=C(Nc1ccccc1OCC(F)F)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001445895693 1066631816 /nfs/dbraw/zinc/63/18/16/1066631816.db2.gz VYPABPNCWQNCCC-UHFFFAOYSA-N -1 3 450.438 4.523 20 0 JJADHM Cc1cc(C(=O)NCc2ccc([O-])c(Br)c2)c2ccc(Br)cc2n1 ZINC001445913626 1066634413 /nfs/dbraw/zinc/63/44/13/1066634413.db2.gz TUFWPJYRVJHGDC-UHFFFAOYSA-N -1 3 450.130 4.704 20 0 JJADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(CC)c2O)c(Cl)cc1Cl ZINC001456589806 1066635034 /nfs/dbraw/zinc/63/50/34/1066635034.db2.gz NQKZZZFVKOSKBI-LBPRGKRZSA-N -1 3 459.395 4.981 20 0 JJADHM CC[C@@H]1CCCc2sc(NC(=O)Cc3csc(NC(=O)c4cc(C)ccc4[O-])n3)nc21 ZINC001456725185 1066674534 /nfs/dbraw/zinc/67/45/34/1066674534.db2.gz RLGQTPRDGKHUOR-CYBMUJFWSA-N -1 3 456.593 4.877 20 0 JJADHM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001446279491 1066685434 /nfs/dbraw/zinc/68/54/34/1066685434.db2.gz KPEDTIQCUUWQRD-CVEARBPZSA-N -1 3 456.514 4.914 20 0 JJADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1cccc2c(Br)cccc12 ZINC001456802328 1066694354 /nfs/dbraw/zinc/69/43/54/1066694354.db2.gz XWFQVPFWCNRSAG-UHFFFAOYSA-N -1 3 450.292 4.935 20 0 JJADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1cccc2c(Br)cccc12 ZINC001456802328 1066694360 /nfs/dbraw/zinc/69/43/60/1066694360.db2.gz XWFQVPFWCNRSAG-UHFFFAOYSA-N -1 3 450.292 4.935 20 0 JJADHM Cc1cccnc1[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C(C)(C)C ZINC001456929358 1066724564 /nfs/dbraw/zinc/72/45/64/1066724564.db2.gz UMSJFKURXBYFTB-JOCHJYFZSA-N -1 3 455.555 4.847 20 0 JJADHM Cc1cccc(C2=CCN(C(=O)c3cc(S(=O)(=O)[N-]c4ccccc4F)c[nH]3)CC2)c1C ZINC001457000008 1066738993 /nfs/dbraw/zinc/73/89/93/1066738993.db2.gz ALNUAZRANRGYMN-UHFFFAOYSA-N -1 3 453.539 4.501 20 0 JJADHM O=C(CCOc1cc(Cl)cc(Cl)c1)Nc1ccc(I)cc1[O-] ZINC001447628050 1066831585 /nfs/dbraw/zinc/83/15/85/1066831585.db2.gz VERVZMOQCMHWKR-UHFFFAOYSA-N -1 3 452.075 4.711 20 0 JJADHM Cc1ccc(SC[C@H](C)NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)cc1 ZINC001447876326 1066873228 /nfs/dbraw/zinc/87/32/28/1066873228.db2.gz ZQHYOGAMTNUSNZ-INIZCTEOSA-N -1 3 455.605 4.557 20 0 JJADHM Cc1cc(Br)cc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC001447935342 1066878139 /nfs/dbraw/zinc/87/81/39/1066878139.db2.gz AKQWZDBSXOQALX-OAQYLSRUSA-N -1 3 453.336 4.963 20 0 JJADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NCc3cc(Cl)ccn3)ccc2C)c(C)c1 ZINC001457735222 1066906753 /nfs/dbraw/zinc/90/67/53/1066906753.db2.gz LYCCRKCVWWPHDJ-UHFFFAOYSA-N -1 3 457.983 4.699 20 0 JJADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2cc(-c3ccccc3Cl)n[nH]2)CC1 ZINC001457737861 1066907147 /nfs/dbraw/zinc/90/71/47/1066907147.db2.gz ZQQCTGYJJDCSOS-UHFFFAOYSA-N -1 3 459.333 4.580 20 0 JJADHM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC001546004424 1066917182 /nfs/dbraw/zinc/91/71/82/1066917182.db2.gz CMZUULCZINPXGE-JKSUJKDBSA-N -1 3 455.780 4.610 20 0 JJADHM O=C(CCNc1ncc(C(F)(F)F)cc1Cl)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC001457777280 1066917521 /nfs/dbraw/zinc/91/75/21/1066917521.db2.gz BNSZYIRFYVPFKD-UHFFFAOYSA-N -1 3 450.808 4.726 20 0 JJADHM COc1cc(I)c(Cl)cc1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC001448611662 1066941942 /nfs/dbraw/zinc/94/19/42/1066941942.db2.gz XAYZOXQHQCKLSY-UHFFFAOYSA-N -1 3 459.711 4.712 20 0 JJADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC001448689326 1066951757 /nfs/dbraw/zinc/95/17/57/1066951757.db2.gz JHTZERNIRJQVCH-LLVKDONJSA-N -1 3 458.301 4.791 20 0 JJADHM CC(C)(C)OC(=O)N1CCC2(CCN2C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC001448689690 1066952110 /nfs/dbraw/zinc/95/21/10/1066952110.db2.gz XCEHFERHKDFQGC-UHFFFAOYSA-N -1 3 450.579 4.793 20 0 JJADHM CCCCn1ncc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)c1C(C)C ZINC001448850698 1066963803 /nfs/dbraw/zinc/96/38/03/1066963803.db2.gz OYFIAOQYTKODCK-UHFFFAOYSA-N -1 3 455.584 4.711 20 0 JJADHM C[C@@H](NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001449191730 1066988417 /nfs/dbraw/zinc/98/84/17/1066988417.db2.gz MKSQOCZVKGOPNK-LSDHHAIUSA-N -1 3 457.452 4.866 20 0 JJADHM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC001458186550 1067000042 /nfs/dbraw/zinc/00/00/42/1067000042.db2.gz VDVHOYRLUGBZES-UHFFFAOYSA-N -1 3 459.936 4.678 20 0 JJADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@]3(CCC)CCOC3)c2)cc1 ZINC001449331480 1067000750 /nfs/dbraw/zinc/00/07/50/1067000750.db2.gz NIQMZNLTBKRBBZ-RUZDIDTESA-N -1 3 458.624 4.827 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)Cc3cccc(C)c3C)ccc2C)cc1 ZINC001450193021 1067058371 /nfs/dbraw/zinc/05/83/71/1067058371.db2.gz KWRXPKOAWPXTPV-UHFFFAOYSA-N -1 3 452.576 4.693 20 0 JJADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1 ZINC001450738420 1067113680 /nfs/dbraw/zinc/11/36/80/1067113680.db2.gz FHZKSTQBLJYDJG-UHFFFAOYSA-N -1 3 456.468 4.535 20 0 JJADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3nc4c(s3)CCCC4(C)C)cs2)c1 ZINC001450747293 1067115718 /nfs/dbraw/zinc/11/57/18/1067115718.db2.gz ROCGQFJZLQZTPK-UHFFFAOYSA-N -1 3 456.593 4.661 20 0 JJADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)[C@H]3CC[C@@H](C(F)(F)F)CC3)cs2)c1 ZINC001450762763 1067117476 /nfs/dbraw/zinc/11/74/76/1067117476.db2.gz YCVBEXYTCKXJHR-OTVXOJSOSA-N -1 3 455.502 4.531 20 0 JJADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3nccn3C3CC3)c2)cc1 ZINC001451332618 1067160260 /nfs/dbraw/zinc/16/02/60/1067160260.db2.gz ZYUXORJJSNJOAM-UHFFFAOYSA-N -1 3 452.580 4.922 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(CC)Cc3occc3C)c2)cc1 ZINC001451642846 1067181728 /nfs/dbraw/zinc/18/17/28/1067181728.db2.gz VKCKKZQFPXSYHO-UHFFFAOYSA-N -1 3 456.564 4.758 20 0 JJADHM CCCCc1nc(NC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)c(C(=O)OCC)[n-]1 ZINC001458950473 1067205889 /nfs/dbraw/zinc/20/58/89/1067205889.db2.gz AOTQWKZJZGTDDN-GFCCVEGCSA-N -1 3 454.340 4.648 20 0 JJADHM CCc1ccc(CN(CC(C)C)C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)cc1 ZINC001452138919 1067208946 /nfs/dbraw/zinc/20/89/46/1067208946.db2.gz QRNIQPCVRKXOCL-UHFFFAOYSA-N -1 3 457.571 4.815 20 0 JJADHM CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1)c1ccccc1F ZINC001452801508 1067253542 /nfs/dbraw/zinc/25/35/42/1067253542.db2.gz NZMCODQVOKMVEI-QFIPXVFZSA-N -1 3 456.539 4.825 20 0 JJADHM O=C(NCc1c(Cl)oc2ccccc21)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001453430324 1067305602 /nfs/dbraw/zinc/30/56/02/1067305602.db2.gz LDMIFZOVBIWUIQ-UHFFFAOYSA-N -1 3 458.898 4.956 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H]3[C@H](c4ccccc4)C3(C)C)ccc2C)cc1 ZINC001453876898 1067333482 /nfs/dbraw/zinc/33/34/82/1067333482.db2.gz DTXNVHCUITVAEU-ZEQRLZLVSA-N -1 3 464.587 4.726 20 0 JJADHM O=C(OCc1cnc(C2CC2)o1)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC001462141630 1068013685 /nfs/dbraw/zinc/01/36/85/1068013685.db2.gz WIYJUWYXQLEYED-UHFFFAOYSA-N -1 3 450.875 4.502 20 0 JJADHM Cc1ccc(CN2CC[C@@H](c3ccc(F)cc3)[C@@H]([N-]C(=O)C(F)(F)F)C2)c(-c2cnn(C)c2)c1 ZINC001462422933 1068071397 /nfs/dbraw/zinc/07/13/97/1068071397.db2.gz AWUSQYVKEPJXHM-GMAHTHKFSA-N -1 3 474.502 4.571 20 0 JJADHM CCn1cc(CN2CC[C@@H](c3ccc(F)cc3)[C@@H]([N-]C(=O)C(F)(F)F)C2)c(-c2ccccc2)n1 ZINC001462430109 1068073220 /nfs/dbraw/zinc/07/32/20/1068073220.db2.gz VCYYXKQKXLDQEQ-VXKWHMMOSA-N -1 3 474.502 4.746 20 0 JJADHM O=S(=O)([N-]C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1)c1ccco1 ZINC001462836060 1068184670 /nfs/dbraw/zinc/18/46/70/1068184670.db2.gz HRSMILOLOCOKRP-KRWDZBQOSA-N -1 3 457.404 4.726 20 0 JJADHM Cc1cc(S(=O)(=O)[N-]CCCc2cccc(C(F)(F)F)c2)c(F)cc1Br ZINC001462912279 1068212557 /nfs/dbraw/zinc/21/25/57/1068212557.db2.gz NQYTWSVELSLABC-UHFFFAOYSA-N -1 3 454.283 4.827 20 0 JJADHM C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001462937919 1068222027 /nfs/dbraw/zinc/22/20/27/1068222027.db2.gz HBRZKUHPYBPYLW-CQSZACIVSA-N -1 3 459.984 4.534 20 0 JJADHM C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001462937919 1068222042 /nfs/dbraw/zinc/22/20/42/1068222042.db2.gz HBRZKUHPYBPYLW-CQSZACIVSA-N -1 3 459.984 4.534 20 0 JJADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2Br)N2CCCC2)cc1 ZINC001462952979 1068227681 /nfs/dbraw/zinc/22/76/81/1068227681.db2.gz HBTMLJCUROAJIF-GOSISDBHSA-N -1 3 457.821 4.526 20 0 JJADHM CCCCCC[C@](C)([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)OCC ZINC001463052240 1068266283 /nfs/dbraw/zinc/26/62/83/1068266283.db2.gz BOSNJQLOGUCRMB-KRWDZBQOSA-N -1 3 454.814 4.673 20 0 JJADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](c2ccc(C)cc2)c2ccc(F)cc2Cl)c1 ZINC001463060333 1068270402 /nfs/dbraw/zinc/27/04/02/1068270402.db2.gz WIHFPTBGLUDOMG-LJQANCHMSA-N -1 3 453.944 4.704 20 0 JJADHM CC(C)C[C@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC001463075709 1068278483 /nfs/dbraw/zinc/27/84/83/1068278483.db2.gz PJNNLOQGCJVJDY-CYBMUJFWSA-N -1 3 458.930 4.577 20 0 JJADHM CC(C)CC[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1)C(C)(C)C ZINC001463100920 1068287451 /nfs/dbraw/zinc/28/74/51/1068287451.db2.gz YCFQVPDWPRAKAP-VOIUYBSRSA-N -1 3 453.468 4.591 20 0 JJADHM CC(C)CC[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1)C(C)(C)C ZINC001463100898 1068287532 /nfs/dbraw/zinc/28/75/32/1068287532.db2.gz YCFQVPDWPRAKAP-GYCJOSAFSA-N -1 3 453.468 4.591 20 0 JJADHM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2csc(-c3cccc(Br)c3)n2)s1 ZINC001463121096 1068294383 /nfs/dbraw/zinc/29/43/83/1068294383.db2.gz DSVGAZSGUIOLPA-NSHDSACASA-N -1 3 457.440 4.852 20 0 JJADHM CSc1ccccc1S(=O)(=O)[N-][C@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F ZINC001463236302 1068330442 /nfs/dbraw/zinc/33/04/42/1068330442.db2.gz IDUYHWUNRIWQHV-LJQANCHMSA-N -1 3 455.527 4.793 20 0 JJADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](CC(C)C)c2ccccc2OCC(C)C)c1 ZINC001463246171 1068333435 /nfs/dbraw/zinc/33/34/35/1068333435.db2.gz BYDOXIJXZFHRFL-HXUWFJFHSA-N -1 3 451.560 4.713 20 0 JJADHM Cc1nc(C[N-]S(=O)(=O)C2=Cc3cc(Cl)ccc3OC2)oc1-c1ccc(Cl)cc1 ZINC001463278609 1068342300 /nfs/dbraw/zinc/34/23/00/1068342300.db2.gz OJXHCNUMJSVMMV-UHFFFAOYSA-N -1 3 451.331 4.810 20 0 JJADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)c1nc(-c2ccc(Br)cc2)cs1 ZINC001463288348 1068345349 /nfs/dbraw/zinc/34/53/49/1068345349.db2.gz UIDXYJSHVDEENC-JTQLQIEISA-N -1 3 459.337 4.890 20 0 JJADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)c1nc(-c2ccc(Br)cc2)cs1 ZINC001463288355 1068345801 /nfs/dbraw/zinc/34/58/01/1068345801.db2.gz UIDXYJSHVDEENC-SNVBAGLBSA-N -1 3 459.337 4.890 20 0 JJADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(Cl)c(F)c1 ZINC001463353135 1068368211 /nfs/dbraw/zinc/36/82/11/1068368211.db2.gz QRBDAVXGZUOSKC-QMMMGPOBSA-N -1 3 457.148 4.943 20 0 JJADHM O=S(=O)([N-][C@@H](CN1CCCCC1)c1ccccc1)c1c(Cl)cccc1Br ZINC001463521681 1068426745 /nfs/dbraw/zinc/42/67/45/1068426745.db2.gz VIXWOUQDQBNUKT-SFHVURJKSA-N -1 3 457.821 4.608 20 0 JJADHM CC[C@@H](C(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1)N(CC)CC ZINC001463562286 1068444435 /nfs/dbraw/zinc/44/44/35/1068444435.db2.gz RCBWGPLRGUYFFR-SFHVURJKSA-N -1 3 458.411 4.853 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)[C@@H]3C[C@@H]4C[C@@H]4C[C@@H]3C)c2)cc1 ZINC001463579276 1068453670 /nfs/dbraw/zinc/45/36/70/1068453670.db2.gz ATJDBLQMCIVWMU-NWZZKEMCSA-N -1 3 458.580 4.515 20 0 JJADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H](C)[C@H]3OCCc4sccc43)cc2)cc1 ZINC001463637418 1068477654 /nfs/dbraw/zinc/47/76/54/1068477654.db2.gz YNRJUWFGYWOBIO-KSFYIVLOSA-N -1 3 456.589 4.746 20 0 JJADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC001463651140 1068480916 /nfs/dbraw/zinc/48/09/16/1068480916.db2.gz NTLPIXODWDFFOV-FPTDNZKUSA-N -1 3 454.564 4.632 20 0 JJADHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)n[nH]1 ZINC001463653499 1068482529 /nfs/dbraw/zinc/48/25/29/1068482529.db2.gz XYSJUJWKWBLYNF-WDEREUQCSA-N -1 3 459.519 4.500 20 0 JJADHM CC[C@H](C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)[nH]1 ZINC001463653499 1068482534 /nfs/dbraw/zinc/48/25/34/1068482534.db2.gz XYSJUJWKWBLYNF-WDEREUQCSA-N -1 3 459.519 4.500 20 0 JJADHM O=C(c1cc([O-])cc(Br)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC001463654902 1068483189 /nfs/dbraw/zinc/48/31/89/1068483189.db2.gz IXCLHVIHSKCLEL-UHFFFAOYSA-N -1 3 451.364 4.702 20 0 JJADHM CCc1nc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)c(C)o1 ZINC001463658747 1068485123 /nfs/dbraw/zinc/48/51/23/1068485123.db2.gz LWMCBBGJYZAFKP-UHFFFAOYSA-N -1 3 454.335 4.905 20 0 JJADHM O=C(Cc1ccc(O)cc1)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC001463661256 1068486220 /nfs/dbraw/zinc/48/62/20/1068486220.db2.gz XDJRCPJGMYNSSE-UHFFFAOYSA-N -1 3 451.331 4.681 20 0 JJADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]Cc2cccc(Oc3ccc4ccccc4c3)c2)s1 ZINC001463678988 1068491819 /nfs/dbraw/zinc/49/18/19/1068491819.db2.gz WXRIBHJLEASPJT-UHFFFAOYSA-N -1 3 453.545 4.526 20 0 JJADHM O=S(=O)([N-]C[C@H](OCC1CC1)c1ccc(Cl)cc1)c1ccc(Br)s1 ZINC001463692183 1068495435 /nfs/dbraw/zinc/49/54/35/1068495435.db2.gz ONYOMXXUURCLJM-AWEZNQCLSA-N -1 3 450.807 4.610 20 0 JJADHM COc1ccc(NC(=O)[C@H](C)c2ccsc2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC001463700157 1068499044 /nfs/dbraw/zinc/49/90/44/1068499044.db2.gz QCRSBXICTIYMGJ-CYBMUJFWSA-N -1 3 450.969 4.953 20 0 JJADHM Cc1nc(S(=O)(=O)[N-][C@@H](C)c2ccc(N3CCCOC3=O)cc2)c(-c2ccccc2)s1 ZINC001463773932 1068520353 /nfs/dbraw/zinc/52/03/53/1068520353.db2.gz IJAUNLTZEPCIAU-HNNXBMFYSA-N -1 3 457.577 4.505 20 0 JJADHM O=S(=O)(Cc1ncsc1Br)[N-][C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC001463809572 1068532823 /nfs/dbraw/zinc/53/28/23/1068532823.db2.gz RRFPUTZFYMOZSD-ZDUSSCGKSA-N -1 3 456.214 4.783 20 0 JJADHM O=S(=O)(Cc1ncsc1Br)[N-][C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC001463809568 1068532981 /nfs/dbraw/zinc/53/29/81/1068532981.db2.gz RRFPUTZFYMOZSD-CYBMUJFWSA-N -1 3 456.214 4.783 20 0 JJADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3ccc(-c4nccs4)cc3)cs2)c1 ZINC001463812745 1068534154 /nfs/dbraw/zinc/53/41/54/1068534154.db2.gz UFCFIAFVEPUUIP-UHFFFAOYSA-N -1 3 450.545 4.714 20 0 JJADHM CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC001463823331 1068536509 /nfs/dbraw/zinc/53/65/09/1068536509.db2.gz CTJDMSSQFVCVIA-HDJSIYSDSA-N -1 3 451.416 4.603 20 0 JJADHM O=S(=O)([N-][C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1)c1ccc(Br)cc1F ZINC001463953590 1068573663 /nfs/dbraw/zinc/57/36/63/1068573663.db2.gz FHPQKDCBXINOTK-LBPRGKRZSA-N -1 3 457.752 4.559 20 0 JJADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H]1CSCc2ccc(Br)cc21 ZINC001464029685 1068593590 /nfs/dbraw/zinc/59/35/90/1068593590.db2.gz MRJQZRHXUMIKTE-INIZCTEOSA-N -1 3 456.358 4.909 20 0 JJADHM O=S(=O)([N-]C[C@@H](OC1CCCC1)C(F)(F)F)c1cc(Cl)ccc1OCC1CCC1 ZINC001464048453 1068599777 /nfs/dbraw/zinc/59/97/77/1068599777.db2.gz VDZLLUXOGHMJKD-GOSISDBHSA-N -1 3 455.926 4.687 20 0 JJADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC1(Cc2ccc(Br)cc2)CC1 ZINC001464092392 1068612128 /nfs/dbraw/zinc/61/21/28/1068612128.db2.gz WBXXRWUIBRJFMW-UHFFFAOYSA-N -1 3 452.345 4.944 20 0 JJADHM O=S(=O)([N-][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)c1ccc(C(F)(F)F)cc1Cl ZINC001464113602 1068619469 /nfs/dbraw/zinc/61/94/69/1068619469.db2.gz VQIJXICSULNIAO-IUODEOHRSA-N -1 3 459.795 4.572 20 0 JJADHM COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(Br)cc1[O-] ZINC001464134432 1068629450 /nfs/dbraw/zinc/62/94/50/1068629450.db2.gz FROOEJFGPBLQIM-ZDUSSCGKSA-N -1 3 457.162 4.751 20 0 JJADHM Cc1cc(C(=O)Nc2ccc(Br)cc2[O-])nn1-c1ccccc1Br ZINC001464142477 1068632327 /nfs/dbraw/zinc/63/23/27/1068632327.db2.gz RRJKINUCQJRHHG-UHFFFAOYSA-N -1 3 451.118 4.664 20 0 JJADHM Cc1ccc2c(C(=O)Nc3ccc(Br)cc3[O-])cc(-c3cnn(C)c3)nc2c1C ZINC001464141659 1068632385 /nfs/dbraw/zinc/63/23/85/1068632385.db2.gz NFDJNUOAVHGMMG-UHFFFAOYSA-N -1 3 451.324 4.973 20 0 JJADHM CC(C)([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)c1nc2cc(Cl)ccc2o1 ZINC001464240824 1068671435 /nfs/dbraw/zinc/67/14/35/1068671435.db2.gz CXKIOWATTKRQCC-UHFFFAOYSA-N -1 3 451.278 4.950 20 0 JJADHM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1c(Cl)cccc1Br ZINC001464261436 1068680004 /nfs/dbraw/zinc/68/00/04/1068680004.db2.gz CYKGQYPWEAVODK-CABCVRRESA-N -1 3 469.159 4.704 20 0 JJADHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](Cc2cccnc2)C2CCCC2)c(Br)c1 ZINC001464350624 1068715656 /nfs/dbraw/zinc/71/56/56/1068715656.db2.gz UDMFXROOMJRFQN-SFHVURJKSA-N -1 3 457.821 4.886 20 0 JJADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cs2)c1 ZINC001464510936 1068769515 /nfs/dbraw/zinc/76/95/15/1068769515.db2.gz DLMCKKNEUCCLLS-UHFFFAOYSA-N -1 3 453.417 4.749 20 0 JJADHM Cc1cc(Oc2ncccn2)ccc1NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001464523401 1068772250 /nfs/dbraw/zinc/77/22/50/1068772250.db2.gz URKPHWATYYHKLZ-UHFFFAOYSA-N -1 3 456.380 4.570 20 0 JJADHM Cc1[nH]c2ccc(CNC(=O)c3c[n-]c4c(Cl)cc(Br)cc4c3=O)cc2c1C ZINC001464526538 1068773423 /nfs/dbraw/zinc/77/34/23/1068773423.db2.gz NOHOJMOSTCKHTL-UHFFFAOYSA-N -1 3 458.743 4.972 20 0 JJADHM C[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001464675356 1068821145 /nfs/dbraw/zinc/82/11/45/1068821145.db2.gz GMQWEPMCLSPRMU-KNQAVFIVSA-N -1 3 452.595 4.943 20 0 JJADHM Cc1cc(C(F)(F)C(=O)[N-]C2(c3cccc(Br)c3)CCOCC2)cnc1Cl ZINC001434901877 1064329715 /nfs/dbraw/zinc/32/97/15/1064329715.db2.gz VEBGTGMRUPAJFV-UHFFFAOYSA-N -1 3 459.718 4.720 20 0 JJADHM CCS(=O)(=O)c1ccc(Cl)c(C(=O)[N-]c2nc(-c3ccc(SC)cc3)ns2)c1 ZINC001435274620 1064653133 /nfs/dbraw/zinc/65/31/33/1064653133.db2.gz VAAFUVMSNNAPRG-UHFFFAOYSA-N -1 3 453.998 4.626 20 0 JJADHM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)o1 ZINC001435311404 1064684925 /nfs/dbraw/zinc/68/49/25/1064684925.db2.gz JEJCMEMPQPAEKZ-KXBFYZLASA-N -1 3 450.576 4.671 20 0 JJADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C3CC3)n2)c(Cl)cc1Cl ZINC001436406165 1065311165 /nfs/dbraw/zinc/31/11/65/1065311165.db2.gz XIPABAPFJXTXGR-GFCCVEGCSA-N -1 3 456.395 4.985 20 0 JJADHM CCSc1cccc(F)c1[N-]C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 ZINC001436561340 1065363410 /nfs/dbraw/zinc/36/34/10/1065363410.db2.gz JRZQKZSRTVUXTJ-HOTGVXAUSA-N -1 3 450.601 4.857 20 0 JJADHM CCCc1cc(C(=O)NCc2cccc([N-]S(=O)(=O)c3ccc(OC)cc3)c2)sc1C ZINC001360518015 1065482077 /nfs/dbraw/zinc/48/20/77/1065482077.db2.gz YIBRVLUJQBMMNU-UHFFFAOYSA-N -1 3 458.605 4.748 20 0 JJADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC001545914477 1065701571 /nfs/dbraw/zinc/70/15/71/1065701571.db2.gz MHQOBYDNQPWIRB-UHFFFAOYSA-N -1 3 459.420 4.762 20 0 JJADHM Cc1ncc([C@H](C)NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2Cl)s1 ZINC001438293196 1065706394 /nfs/dbraw/zinc/70/63/94/1065706394.db2.gz WNIWMDICVABAMA-NSHDSACASA-N -1 3 453.948 4.536 20 0 JJADHM Cc1ncc([C@@H](C)NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2Cl)s1 ZINC001438293192 1065706490 /nfs/dbraw/zinc/70/64/90/1065706490.db2.gz WNIWMDICVABAMA-LLVKDONJSA-N -1 3 453.948 4.536 20 0 JJADHM O=C(Nc1cccc(C(=O)N2CCCc3c(=O)[n-]cnc32)c1)Nc1ccc(Cl)c(Cl)c1 ZINC001438691528 1065744733 /nfs/dbraw/zinc/74/47/33/1065744733.db2.gz YFGYSNNQYJRCET-UHFFFAOYSA-N -1 3 458.305 4.726 20 0 JJADHM O=C([N-]C1CCC2(COC2)CC1)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1 ZINC001438822964 1065755196 /nfs/dbraw/zinc/75/51/96/1065755196.db2.gz UZNUVJUYJKSJDO-UHFFFAOYSA-N -1 3 458.221 4.515 20 0 JJADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)c(Cl)cc1Cl ZINC001440209758 1065924340 /nfs/dbraw/zinc/92/43/40/1065924340.db2.gz YRHKOGLUASVNIT-XIRDDKMYSA-N -1 3 469.434 4.994 20 0 JJADHM CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1 ZINC001440337015 1065931273 /nfs/dbraw/zinc/93/12/73/1065931273.db2.gz DRANVHKVDBEYCJ-UHFFFAOYSA-N -1 3 454.548 4.857 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(CF)cc3)c2)cc1 ZINC001440413200 1065938979 /nfs/dbraw/zinc/93/89/79/1065938979.db2.gz NEQRFAPVVATXPC-UHFFFAOYSA-N -1 3 458.511 4.617 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(C)cc(OC)c3C)ccc2C)cc1 ZINC001440568438 1065950611 /nfs/dbraw/zinc/95/06/11/1065950611.db2.gz BBKJRKCWAVFWJE-UHFFFAOYSA-N -1 3 454.548 4.682 20 0 JJADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3nc4c(s3)C[C@H](C)CC4)c2)cc1 ZINC001440658015 1065959461 /nfs/dbraw/zinc/95/94/61/1065959461.db2.gz FKFGAMSHEXSHLW-OAHLLOKOSA-N -1 3 455.605 4.938 20 0 JJADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3cnccc32)c(Cl)cc1Cl ZINC001440865415 1065984827 /nfs/dbraw/zinc/98/48/27/1065984827.db2.gz COPDHEMRKLUDSN-UHFFFAOYSA-N -1 3 452.363 4.728 20 0 JJADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1 ZINC001441055903 1066004940 /nfs/dbraw/zinc/00/49/40/1066004940.db2.gz RRWMBDIIXRPQTQ-UHFFFAOYSA-N -1 3 459.424 4.765 20 0 JJADHM CN1C(=O)C[C@H](C(=O)Nc2ccc(Br)cc2[O-])[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001441339073 1066030444 /nfs/dbraw/zinc/03/04/44/1066030444.db2.gz GNMVTQDQWQNZQT-APPDUMDISA-N -1 3 458.139 4.620 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@H]3C3CCCCC3)ccc2C)cc1 ZINC001441792950 1066069912 /nfs/dbraw/zinc/06/99/12/1066069912.db2.gz TUUIKJBDKJJNCF-QHCPKHFHSA-N -1 3 456.608 4.989 20 0 JJADHM COc1nsc(C(=O)[N-]c2nc3c(s2)C[C@H](c2ccccc2)CC3)c1Br ZINC001442507243 1066132004 /nfs/dbraw/zinc/13/20/04/1066132004.db2.gz ZGRREZIWCQNSLU-LLVKDONJSA-N -1 3 450.383 4.896 20 0 JJADHM Cc1cccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1C(=O)NCCc1ccccc1 ZINC001442553740 1066137345 /nfs/dbraw/zinc/13/73/45/1066137345.db2.gz MQNDLAPKMWLHPY-UHFFFAOYSA-N -1 3 457.505 4.509 20 0 JJADHM Cc1ccc([O-])c(C(=O)Nc2ccccc2C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001442677211 1066151310 /nfs/dbraw/zinc/15/13/10/1066151310.db2.gz LIMUIEVKXSMFNO-KRWDZBQOSA-N -1 3 454.523 4.509 20 0 JJADHM Cc1ccc([O-])c(C(=O)Nc2ccccc2C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001442677216 1066151339 /nfs/dbraw/zinc/15/13/39/1066151339.db2.gz LIMUIEVKXSMFNO-QGZVFWFLSA-N -1 3 454.523 4.509 20 0 JJADHM O=C(NCC(F)(F)c1ccc(F)cc1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC001454035944 1066238152 /nfs/dbraw/zinc/23/81/52/1066238152.db2.gz GCYWKRUDZYESEG-UHFFFAOYSA-N -1 3 459.649 4.605 20 0 JJADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)s1 ZINC001443007116 1066252157 /nfs/dbraw/zinc/25/21/57/1066252157.db2.gz DSCAQXLXFBTQIX-UHFFFAOYSA-N -1 3 455.005 4.949 20 0 JJADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC(C)(C)c3ccccc3F)c2)cc1 ZINC001443033270 1066256722 /nfs/dbraw/zinc/25/67/22/1066256722.db2.gz XMLBFZILIYBUCX-UHFFFAOYSA-N -1 3 454.567 4.951 20 0 JJADHM O=C(Nc1nnc(-c2c(Cl)cccc2Cl)s1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001454563714 1066301076 /nfs/dbraw/zinc/30/10/76/1066301076.db2.gz ZDQRINIRAKRTDV-UHFFFAOYSA-N -1 3 453.257 4.884 20 0 JJADHM Cc1[nH]c2ccc(F)cc2c1CCNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001454573988 1066303320 /nfs/dbraw/zinc/30/33/20/1066303320.db2.gz IBWZKWSLGSTECA-RUZDIDTESA-N -1 3 459.521 4.541 20 0 JJADHM COc1ccc2oc([C@H](C)NC(=O)c3cc(=O)c4cc(Br)ccc4[n-]3)c(C)c2c1 ZINC001443583420 1066332210 /nfs/dbraw/zinc/33/22/10/1066332210.db2.gz WIUQQRYAUKOSHC-LBPRGKRZSA-N -1 3 455.308 4.845 20 0 JJADHM Cc1cc(C(=O)CCC(=O)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)c(C)s1 ZINC001454929229 1066343281 /nfs/dbraw/zinc/34/32/81/1066343281.db2.gz ZOUQTJWBBBQMOR-OAHLLOKOSA-N -1 3 452.498 4.527 20 0 JJADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3CC[C@@]3(C)C3CCCCC3)c2)c1 ZINC001455120305 1066363796 /nfs/dbraw/zinc/36/37/96/1066363796.db2.gz ZUEKECVXVHSBPL-SANMLTNESA-N -1 3 452.551 4.847 20 0 JJADHM COc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)cc1C ZINC001455548768 1066409353 /nfs/dbraw/zinc/40/93/53/1066409353.db2.gz RBBCUFJPJMTNML-IBGZPJMESA-N -1 3 452.576 4.912 20 0 JJADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCCOC(C)(C)C3)c2)cc1 ZINC001444162249 1066422537 /nfs/dbraw/zinc/42/25/37/1066422537.db2.gz ZRZSBFQDAYSMQS-UHFFFAOYSA-N -1 3 458.624 4.780 20 0 JJADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NCC[C@@H]3CC(C)(C)CO3)ccc2C)c(C)c1 ZINC001455708767 1066425429 /nfs/dbraw/zinc/42/54/29/1066425429.db2.gz DOIVFKIORDLHCH-OAQYLSRUSA-N -1 3 458.624 4.656 20 0 JJADHM CCC[C@H]1SCCN1C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC001444207278 1066429207 /nfs/dbraw/zinc/42/92/07/1066429207.db2.gz IFVDHOYLJOHMMY-LJQANCHMSA-N -1 3 456.992 4.904 20 0 JJADHM O=C(N[C@@H]1CCN(c2ccccc2Br)C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001444239014 1066432315 /nfs/dbraw/zinc/43/23/15/1066432315.db2.gz LFVICBXLGZYSFD-LJQANCHMSA-N -1 3 451.364 4.754 20 0 JJADHM O=C(NCc1ccc(C(=O)Nc2cccnc2)cc1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001444290347 1066444062 /nfs/dbraw/zinc/44/40/62/1066444062.db2.gz PIQWADFIQTVIAF-UHFFFAOYSA-N -1 3 451.526 4.755 20 0 JJADHM COc1ccc(C2CCN(C(=O)C[C@H](NC(=O)c3ccc([O-])cc3)c3ccccc3)CC2)cc1 ZINC001444786896 1066504199 /nfs/dbraw/zinc/50/41/99/1066504199.db2.gz NXEJXJNSGKQGBE-SANMLTNESA-N -1 3 458.558 4.668 20 0 JJADHM COc1ccc(C2CCN(C(=O)C[C@@H](NC(=O)c3ccc([O-])cc3)c3ccccc3)CC2)cc1 ZINC001444786887 1066504229 /nfs/dbraw/zinc/50/42/29/1066504229.db2.gz NXEJXJNSGKQGBE-AREMUKBSSA-N -1 3 458.558 4.668 20 0 JJADHM O=C(CCc1nccs1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c(Cl)c1 ZINC001445042070 1066532447 /nfs/dbraw/zinc/53/24/47/1066532447.db2.gz AAUNMMNLDKEPTB-UHFFFAOYSA-N -1 3 456.376 4.822 20 0 JJADHM CCc1ccc(C(C)(C)CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1 ZINC001445192067 1066544870 /nfs/dbraw/zinc/54/48/70/1066544870.db2.gz ZWOGEUOFOFNGBS-UHFFFAOYSA-N -1 3 454.567 4.897 20 0 JJADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCc2cc(Cl)cc(Cl)c2[C@@H]1C ZINC001445338258 1066558764 /nfs/dbraw/zinc/55/87/64/1066558764.db2.gz MMNQXKUPPFYFRR-AWEZNQCLSA-N -1 3 457.361 4.526 20 0 JJADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2cc(Cl)ccc2Sc2ccccc2)CC1 ZINC001445645629 1066598085 /nfs/dbraw/zinc/59/80/85/1066598085.db2.gz KSULJEOEMKZFLS-UHFFFAOYSA-N -1 3 452.963 4.795 20 0 JJADHM Cc1ccnc(Oc2ccc(NC(=O)c3c[n-]c4c(OC(F)(F)F)cccc4c3=O)cc2)n1 ZINC001445782491 1066616629 /nfs/dbraw/zinc/61/66/29/1066616629.db2.gz IUGFYRBSCXJNKF-UHFFFAOYSA-N -1 3 456.380 4.570 20 0 JJADHM Cc1nc2cc(C(=O)NCc3ccc([O-])c(Br)c3)ccc2n1Cc1ccsc1 ZINC001445911248 1066633776 /nfs/dbraw/zinc/63/37/76/1066633776.db2.gz NEXDPGMZQDIXED-UHFFFAOYSA-N -1 3 456.365 4.853 20 0 JJADHM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1ccc(Cl)c(F)c1 ZINC001446282053 1066685324 /nfs/dbraw/zinc/68/53/24/1066685324.db2.gz ZMIZUMFLGAIBRI-ZDUSSCGKSA-N -1 3 450.894 4.910 20 0 JJADHM O=C(Nc1ccccc1C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1ccc(Cl)cc1 ZINC001456934494 1066725572 /nfs/dbraw/zinc/72/55/72/1066725572.db2.gz IEZPKYHVYIBDOI-RZDIXWSQSA-N -1 3 450.926 4.544 20 0 JJADHM COC(=O)c1cc2nc(NC(=O)c3ccc(OC)c4ccccc34)[n-]c2c(Br)c1 ZINC001457016814 1066744050 /nfs/dbraw/zinc/74/40/50/1066744050.db2.gz OOWKWTFKJQDOKJ-UHFFFAOYSA-N -1 3 454.280 4.526 20 0 JJADHM CCC1(CC)CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)CCS1 ZINC001447402722 1066804550 /nfs/dbraw/zinc/80/45/50/1066804550.db2.gz PBIXQUWKAFAGHY-UHFFFAOYSA-N -1 3 450.601 4.683 20 0 JJADHM COc1cc2[n-]cc(C(=O)N3CC=C(c4ccc(Cl)c(Cl)c4)CC3)c(=O)c2c(OC)c1 ZINC001447510035 1066816847 /nfs/dbraw/zinc/81/68/47/1066816847.db2.gz LTTPAMQVEXFJAJ-UHFFFAOYSA-N -1 3 459.329 4.782 20 0 JJADHM O=C(C/C=C\c1ccc(Br)cc1)Nc1ccc(I)cc1[O-] ZINC001447631431 1066832569 /nfs/dbraw/zinc/83/25/69/1066832569.db2.gz SLFHMLGDZQWOHB-UPHRSURJSA-N -1 3 458.093 4.801 20 0 JJADHM Cc1cc(Br)cc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC001447935340 1066878113 /nfs/dbraw/zinc/87/81/13/1066878113.db2.gz AKQWZDBSXOQALX-NRFANRHFSA-N -1 3 453.336 4.963 20 0 JJADHM CSCc1cccc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)c1 ZINC001447949664 1066880416 /nfs/dbraw/zinc/88/04/16/1066880416.db2.gz ZCYHBQAAFYPWJP-UHFFFAOYSA-N -1 3 454.617 4.897 20 0 JJADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1ccc(-c2ccco2)cc1F ZINC001448388114 1066922085 /nfs/dbraw/zinc/92/20/85/1066922085.db2.gz MFQCYIWRPOMFCH-UHFFFAOYSA-N -1 3 457.310 4.700 20 0 JJADHM CC[C@@H](C)[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C)C(F)(F)F ZINC001448553657 1066938738 /nfs/dbraw/zinc/93/87/38/1066938738.db2.gz QZIDWDSGBFIJIW-BFUOFWGJSA-N -1 3 458.502 4.511 20 0 JJADHM Cc1ccc(-c2ccnn2C)cc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001448551602 1066938850 /nfs/dbraw/zinc/93/88/50/1066938850.db2.gz TZUXFDHFEHVYLQ-DEOSSOPVSA-N -1 3 454.530 4.601 20 0 JJADHM C[C@H](NC(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001449187391 1066988307 /nfs/dbraw/zinc/98/83/07/1066988307.db2.gz HBCDGSUGGKNCND-OJBGHLBWSA-N -1 3 455.967 4.962 20 0 JJADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)/C=C/c1ccc(-c2ccccc2Cl)s1 ZINC001449187381 1066988524 /nfs/dbraw/zinc/98/85/24/1066988524.db2.gz HBCDGSUGGKNCND-KATLRKPDSA-N -1 3 455.967 4.962 20 0 JJADHM O=C(NC[C@H]1CCCC[C@H]1c1ccccc1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC001449652449 1067019336 /nfs/dbraw/zinc/01/93/36/1067019336.db2.gz ONPSNTMKSDKTRM-QUCCMNQESA-N -1 3 455.555 4.658 20 0 JJADHM CCCNc1ccc(C(F)(F)F)cc1NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC001545759836 1067043108 /nfs/dbraw/zinc/04/31/08/1067043108.db2.gz IUPOMKKEWSCVAX-UHFFFAOYSA-N -1 3 459.472 4.552 20 0 JJADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@](C)(Cc2ccc(Cl)cc2)C(C)C)c1 ZINC001450076016 1067047344 /nfs/dbraw/zinc/04/73/44/1067047344.db2.gz QJQXTRCJMADTRW-DEOSSOPVSA-N -1 3 455.942 4.982 20 0 JJADHM O=C(Nc1c([O-])cccc1Cl)c1ccc(Br)cc1I ZINC001450262860 1067066141 /nfs/dbraw/zinc/06/61/41/1067066141.db2.gz QGBYVNRKRRPXIF-UHFFFAOYSA-N -1 3 452.473 4.665 20 0 JJADHM O=C(Nc1c([O-])cccc1Cl)c1cc(Br)cc(I)c1 ZINC001450264748 1067066441 /nfs/dbraw/zinc/06/64/41/1067066441.db2.gz XCOWQRUVTHIFSQ-UHFFFAOYSA-N -1 3 452.473 4.665 20 0 JJADHM O=C([N-]CCOc1ccc(Br)cc1C(F)(F)F)C(F)(F)Cc1ccccc1 ZINC001458471327 1067070731 /nfs/dbraw/zinc/07/07/31/1067070731.db2.gz REDPODRLLQTAEX-UHFFFAOYSA-N -1 3 452.217 4.841 20 0 JJADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC(C)(C)c3ccccc3F)ccc2C)cc1 ZINC001450338651 1067071300 /nfs/dbraw/zinc/07/13/00/1067071300.db2.gz XLPJRPRTDKZNDB-UHFFFAOYSA-N -1 3 456.539 4.609 20 0 JJADHM CC[C@@H](CSc1ccccc1)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC001546023538 1067085057 /nfs/dbraw/zinc/08/50/57/1067085057.db2.gz HHUAQXYLSYCTTN-INIZCTEOSA-N -1 3 455.605 4.639 20 0 JJADHM Cn1c2cc([O-])c(NC(=O)c3cccc(Oc4cccc(C(F)(F)F)c4)c3)cc2n(C)c1=O ZINC001450665973 1067099928 /nfs/dbraw/zinc/09/99/28/1067099928.db2.gz BYGKVMSYBJCYPB-UHFFFAOYSA-N -1 3 457.408 4.646 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@H]3CCC[C@H]3C3CC3)c2)cc1 ZINC001451463094 1067173244 /nfs/dbraw/zinc/17/32/44/1067173244.db2.gz NFOFVQHNTXXGQP-XXBNENTESA-N -1 3 456.608 4.751 20 0 JJADHM CCCCc1nc(NC(=O)c2cc3c(cncc3Br)s2)c(C(=O)OCC)[n-]1 ZINC001458952559 1067206913 /nfs/dbraw/zinc/20/69/13/1067206913.db2.gz IPOXUJDPCHOZEL-UHFFFAOYSA-N -1 3 451.346 4.554 20 0 JJADHM CC[C@@H]1CCC[C@H](C)N1C(=O)c1cc(S(=O)(=O)[N-]Cc2ccccn2)c(Cl)cc1Cl ZINC001453879938 1067333946 /nfs/dbraw/zinc/33/39/46/1067333946.db2.gz BTQIKFLPYQVFQC-GOEBONIOSA-N -1 3 470.422 4.660 20 0 JJADHM COC(=O)c1sc2[n-]c(CN3CCc4cc(Cl)cc(Cl)c4[C@@H]3C)nc(=O)c2c1C ZINC001459629916 1067368223 /nfs/dbraw/zinc/36/82/23/1067368223.db2.gz UWPUUEYMSGXSJN-JTQLQIEISA-N -1 3 452.363 4.506 20 0 JJADHM COCc1ncsc1C(=O)[N-]c1sc(Br)cc1C(=O)c1ccc(C)cc1 ZINC001459834352 1067445375 /nfs/dbraw/zinc/44/53/75/1067445375.db2.gz QLHIPPLBLLWSAH-UHFFFAOYSA-N -1 3 451.367 4.905 20 0 JJADHM CCOC(=O)c1ncc(C(=O)[N-]c2sc3c(c2C(=O)OC(C)(C)C)CC[C@H](C)C3)s1 ZINC001459943416 1067500993 /nfs/dbraw/zinc/50/09/93/1067500993.db2.gz FABSEGXRQXBSIV-NSHDSACASA-N -1 3 450.582 4.714 20 0 JJADHM CCOC(=O)c1ncc(C(=O)[N-]c2sc3c(c2C(=O)OC(C)(C)C)CC[C@@H](C)C3)s1 ZINC001459943413 1067501086 /nfs/dbraw/zinc/50/10/86/1067501086.db2.gz FABSEGXRQXBSIV-LLVKDONJSA-N -1 3 450.582 4.714 20 0 JJADHM O=C([N-]CC[C@H]1CN(CCOc2ccccc2Br)c2ccccc21)C(F)(F)F ZINC001460654416 1067688839 /nfs/dbraw/zinc/68/88/39/1067688839.db2.gz VLDSANCGOSWKBB-AWEZNQCLSA-N -1 3 457.290 4.500 20 0 JJADHM COC(=O)c1ccc(COc2ccccc2CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC001461971004 1067972029 /nfs/dbraw/zinc/97/20/29/1067972029.db2.gz MHWVWWKUTWRUPL-UHFFFAOYSA-N -1 3 459.542 4.853 20 0 JJADHM [O-]c1c(Br)cc(CN[C@@H](c2ccccc2)C2(CO)CCC2)cc1Br ZINC001462275524 1068042601 /nfs/dbraw/zinc/04/26/01/1068042601.db2.gz UYQVPQKPVGNNEJ-SFHVURJKSA-N -1 3 455.190 4.911 20 0 JJADHM CC(C)Sc1cc(Br)ccc1CN1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001462291418 1068044931 /nfs/dbraw/zinc/04/49/31/1068044931.db2.gz CVHFVDHLWJGSTO-CYBMUJFWSA-N -1 3 453.368 4.840 20 0 JJADHM CC(C)Sc1cc(Br)ccc1CN1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001462291428 1068045030 /nfs/dbraw/zinc/04/50/30/1068045030.db2.gz CVHFVDHLWJGSTO-ZDUSSCGKSA-N -1 3 453.368 4.840 20 0 JJADHM O=S(=O)([N-]CCc1ccc(Cl)cc1)c1csc(-c2ccc(Br)cc2)n1 ZINC001462701367 1068135814 /nfs/dbraw/zinc/13/58/14/1068135814.db2.gz PMWVKQQSCCPORA-UHFFFAOYSA-N -1 3 457.802 4.747 20 0 JJADHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H](c2ccccc2)N2CCCC2)c(Br)c1 ZINC001462704796 1068137023 /nfs/dbraw/zinc/13/70/23/1068137023.db2.gz AHVDKLJIQOXFPM-SFHVURJKSA-N -1 3 457.821 4.526 20 0 JJADHM Cc1nocc1S(=O)(=O)[N-]C[C@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1Cl ZINC001462718980 1068141216 /nfs/dbraw/zinc/14/12/16/1068141216.db2.gz RUKSGYPBCAQETH-KRWDZBQOSA-N -1 3 450.347 4.882 20 0 JJADHM CCOc1cccc2cc([C@H](C)[N-]S(=O)(=O)c3c4ccccc4sc3C(=O)OC)oc21 ZINC001462741834 1068151337 /nfs/dbraw/zinc/15/13/37/1068151337.db2.gz IXZDROUUURSGBB-ZDUSSCGKSA-N -1 3 459.545 4.872 20 0 JJADHM O=S(=O)([N-]C[C@H](c1c(F)cccc1Cl)N1CCCC1)c1cc(Cl)ccc1Cl ZINC001462825377 1068178531 /nfs/dbraw/zinc/17/85/31/1068178531.db2.gz QRKPMOAVPOLHHU-MRXNPFEDSA-N -1 3 451.778 4.901 20 0 JJADHM CC[C@H]([N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)c1nc(-c2ccccc2)c[nH]1 ZINC001462987807 1068241027 /nfs/dbraw/zinc/24/10/27/1068241027.db2.gz YBVNQHBWGFTMLN-INIZCTEOSA-N -1 3 455.561 4.508 20 0 JJADHM Cc1ccc(C[C@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)c2ccccn2)cc1 ZINC001463097532 1068285305 /nfs/dbraw/zinc/28/53/05/1068285305.db2.gz RTGQLNRQQBAGFF-SFHVURJKSA-N -1 3 454.445 4.690 20 0 JJADHM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2csc(-c3cccc(Br)c3)n2)s1 ZINC001463121094 1068294576 /nfs/dbraw/zinc/29/45/76/1068294576.db2.gz DSVGAZSGUIOLPA-LLVKDONJSA-N -1 3 457.440 4.852 20 0 JJADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC001463188438 1068314391 /nfs/dbraw/zinc/31/43/91/1068314391.db2.gz UCVKGHRUKOWHDN-SECBINFHSA-N -1 3 450.838 4.846 20 0 JJADHM O=C([N-]Cc1cc(Oc2cccc(Cl)c2)ccn1)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC001463232285 1068329535 /nfs/dbraw/zinc/32/95/35/1068329535.db2.gz ULRRMRKNLKHHTF-UHFFFAOYSA-N -1 3 455.852 4.652 20 0 JJADHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)Cc2nc3ccccc3s2)c(Br)c1 ZINC001463267650 1068339870 /nfs/dbraw/zinc/33/98/70/1068339870.db2.gz OVHUBWAXSHDRIA-NSHDSACASA-N -1 3 459.818 4.930 20 0 JJADHM Cc1ccc(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)c(OCC2CC2)c1 ZINC001463290216 1068346241 /nfs/dbraw/zinc/34/62/41/1068346241.db2.gz RNWCHPUEBWJFQR-UHFFFAOYSA-N -1 3 450.807 4.740 20 0 JJADHM Cc1ccc(C[N-]S(=O)(=O)c2ccc(Br)nc2F)c(OCCCC(C)C)c1 ZINC001463304834 1068350516 /nfs/dbraw/zinc/35/05/16/1068350516.db2.gz CZDYZOMMAKIAKE-UHFFFAOYSA-N -1 3 459.381 4.585 20 0 JJADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)c1cccc(Sc2ccccc2)c1 ZINC001463340408 1068362476 /nfs/dbraw/zinc/36/24/76/1068362476.db2.gz AMRBCBIMKMDSGU-UHFFFAOYSA-N -1 3 450.379 4.784 20 0 JJADHM CO[C@H](c1ccc(Br)cc1)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001463405104 1068385912 /nfs/dbraw/zinc/38/59/12/1068385912.db2.gz ADSOWZOAVZKRMQ-BMIGLBTASA-N -1 3 453.185 4.810 20 0 JJADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc(F)cc2OC(F)F)c(F)cc1Br ZINC001463451571 1068401727 /nfs/dbraw/zinc/40/17/27/1068401727.db2.gz OFBXUNXSKRBMNA-SECBINFHSA-N -1 3 456.255 4.677 20 0 JJADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1 ZINC001463502930 1068421199 /nfs/dbraw/zinc/42/11/99/1068421199.db2.gz GTVIOSHZMAZGDK-MRXNPFEDSA-N -1 3 454.392 4.636 20 0 JJADHM CCOC(=O)[C@@H](Cc1cccc2ccccc21)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001463555847 1068440100 /nfs/dbraw/zinc/44/01/00/1068440100.db2.gz OEGKWURTMDCVDX-LJQANCHMSA-N -1 3 452.359 4.599 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3c(C)cccc3C)c2)cc1 ZINC001463580712 1068454489 /nfs/dbraw/zinc/45/44/89/1068454489.db2.gz GMTUFDDRXUCOSX-UHFFFAOYSA-N -1 3 454.548 4.764 20 0 JJADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)/C=C(/C)c3ccco3)c2)cc1 ZINC001463581637 1068455415 /nfs/dbraw/zinc/45/54/15/1068455415.db2.gz JNZCYUZYEZTNAM-PEZBUJJGSA-N -1 3 456.520 4.530 20 0 JJADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)c1ccc(Br)cc1 ZINC001463614831 1068467673 /nfs/dbraw/zinc/46/76/73/1068467673.db2.gz RSPYLQKFWHVQLJ-ZETCQYMHSA-N -1 3 459.612 4.966 20 0 JJADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)c1Cl ZINC001463617666 1068468670 /nfs/dbraw/zinc/46/86/70/1068468670.db2.gz LDMXYPYXWRTWOK-HNNXBMFYSA-N -1 3 451.416 4.664 20 0 JJADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3)C2)c(Br)c1 ZINC001463631275 1068474990 /nfs/dbraw/zinc/47/49/90/1068474990.db2.gz KGTVKFYVDFNIPD-HDJSIYSDSA-N -1 3 459.203 4.745 20 0 JJADHM C[C@@H]([N-]S(=O)(=O)c1scc(Br)c1Br)c1ccccc1Cl ZINC001463642774 1068478858 /nfs/dbraw/zinc/47/88/58/1068478858.db2.gz TVYJFGTYSYZOSI-SSDOTTSWSA-N -1 3 459.612 4.966 20 0 JJADHM O=S(=O)([N-][C@H]1CCOc2c(Cl)c(Cl)ccc21)c1cc(Br)ccc1F ZINC001463658433 1068485244 /nfs/dbraw/zinc/48/52/44/1068485244.db2.gz MNIMFDQZKBIRTD-LBPRGKRZSA-N -1 3 455.132 4.697 20 0 JJADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001463706497 1068501054 /nfs/dbraw/zinc/50/10/54/1068501054.db2.gz BURXDNZRUWSOIH-HOTGVXAUSA-N -1 3 456.377 4.849 20 0 JJADHM Cc1cc(Cl)c(S(=O)(=O)[N-]CCOc2ccc(Cl)c(F)c2)c(Br)c1 ZINC001463708534 1068501639 /nfs/dbraw/zinc/50/16/39/1068501639.db2.gz OGAGYSUTCHZYKX-UHFFFAOYSA-N -1 3 457.148 4.561 20 0 JJADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](c2ccc(F)c(Cl)c2)C2CC2)c(C)c1Cl ZINC001463729010 1068506277 /nfs/dbraw/zinc/50/62/77/1068506277.db2.gz WROLWWZHCVHMEJ-CQSZACIVSA-N -1 3 452.356 4.719 20 0 JJADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc3c2CCCN3C(=O)OC(C)(C)C)sc1Cl ZINC001463817716 1068534725 /nfs/dbraw/zinc/53/47/25/1068534725.db2.gz IKINAHHPRLYWIF-UHFFFAOYSA-N -1 3 457.017 4.876 20 0 JJADHM CC(=O)Nc1ccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1Cl ZINC001463887907 1068556216 /nfs/dbraw/zinc/55/62/16/1068556216.db2.gz OSXZLSMISXHCFU-QFIPXVFZSA-N -1 3 451.910 4.504 20 0 JJADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(I)c(Cl)c1 ZINC001464133657 1068628731 /nfs/dbraw/zinc/62/87/31/1068628731.db2.gz CKBULHAWEYVFSQ-UHFFFAOYSA-N -1 3 452.473 4.665 20 0 JJADHM O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001464164521 1068639646 /nfs/dbraw/zinc/63/96/46/1068639646.db2.gz IPPDTKCLAXKNPK-UHFFFAOYSA-N -1 3 452.360 4.827 20 0 JJADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CN(C)C)c2cccc(C(F)(F)F)c2)c1Cl ZINC001464206801 1068657538 /nfs/dbraw/zinc/65/75/38/1068657538.db2.gz PSIVOMFTFAAIQU-HNNXBMFYSA-N -1 3 455.329 4.902 20 0 JJADHM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1cccc(Cl)c1Br ZINC001464264932 1068680489 /nfs/dbraw/zinc/68/04/89/1068680489.db2.gz QDGYKOIEWPKMBY-CJNGLKHVSA-N -1 3 469.159 4.704 20 0 JJADHM Cc1cc(Br)c(S(=O)(=O)[N-]C2(CC(=O)OC(C)(C)C)CCCCC2)s1 ZINC001464287158 1068692055 /nfs/dbraw/zinc/69/20/55/1068692055.db2.gz VRXDGVANPWTECR-UHFFFAOYSA-N -1 3 452.436 4.532 20 0 JJADHM Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001464324860 1068706295 /nfs/dbraw/zinc/70/62/95/1068706295.db2.gz BOFJVXBRTZWDPE-UHFFFAOYSA-N -1 3 458.584 4.923 20 0 JJADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(-c3ccc(OC)cc3)cc2F)cc1OC ZINC001464334234 1068710190 /nfs/dbraw/zinc/71/01/90/1068710190.db2.gz HOMUSGBCLYTMPS-UHFFFAOYSA-N -1 3 458.511 4.524 20 0 JJADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2c3ccccc3N(C(=O)OC(C)(C)C)C2(C)C)cc1F ZINC001464347537 1068714503 /nfs/dbraw/zinc/71/45/03/1068714503.db2.gz HRMIOHKERLIOHR-LJQANCHMSA-N -1 3 452.523 4.827 20 0 JJADHM CC(C)c1nnc([N-]C(=O)c2cnc(CC3CCN(C(=O)OC(C)(C)C)CC3)s2)s1 ZINC001464389828 1068728360 /nfs/dbraw/zinc/72/83/60/1068728360.db2.gz XFUHVJYIDRMBSJ-UHFFFAOYSA-N -1 3 451.618 4.560 20 0 JJADHM COc1cc2c(cc1OC)CN(Cc1ccccc1NC(=O)c1cc(Cl)ccc1[O-])CC2 ZINC001464539935 1068776316 /nfs/dbraw/zinc/77/63/16/1068776316.db2.gz DBUGJXONXZHSME-UHFFFAOYSA-N -1 3 452.938 4.873 20 0 JJADHM CC(C)(C)c1ccc(-c2nc([N-]C(=O)c3nc4ccc(Br)cn4c3F)n[nH]2)cc1 ZINC001464632646 1068804617 /nfs/dbraw/zinc/80/46/17/1068804617.db2.gz LWKAUNLJKUOJCN-UHFFFAOYSA-N -1 3 457.307 4.571 20 0 JJADHM COc1ccc([C@@H]([N-]S(=O)(=O)c2cc(Br)sc2Cl)C2CCC2)cc1 ZINC001464724082 1068838898 /nfs/dbraw/zinc/83/88/98/1068838898.db2.gz QYJPGYCLRIBTNW-HNNXBMFYSA-N -1 3 450.807 4.992 20 0 JJADHM O=S(=O)([N-]c1ccccc1I)c1ccc(Br)cc1Cl ZINC000016101386 527255053 /nfs/dbraw/zinc/25/50/53/527255053.db2.gz MPZQBJMCRRRRNP-UHFFFAOYSA-N -1 3 472.529 4.508 20 0 JJADHM CC(C)NC(=O)C[C@@H]1CC2(CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC2)Oc2ccccc21 ZINC001164804835 721593316 /nfs/dbraw/zinc/59/33/16/721593316.db2.gz ZCWRLUGWSJWPDX-OAHLLOKOSA-N -1 3 497.011 4.784 20 0 JJADHM O=C1CC2(CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC2)c2ccccc2N1CC1CC1 ZINC001164975455 722161091 /nfs/dbraw/zinc/16/10/91/722161091.db2.gz SZXVOXRVRBADMW-UHFFFAOYSA-N -1 3 464.969 4.649 20 0 JJADHM