smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1nnc(SCc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2)[nH]1 ZINC000020611432 522137671 /nfs/dbraw/zinc/13/76/71/522137671.db2.gz PTKICSKXNLUAPQ-UHFFFAOYSA-N 0 1 438.940 5.825 40 0 IKABMN CCc1n[nH]c(SCc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2)n1 ZINC000020611432 522137675 /nfs/dbraw/zinc/13/76/75/522137675.db2.gz PTKICSKXNLUAPQ-UHFFFAOYSA-N 0 1 438.940 5.825 40 0 IKABMN CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1)c1ccccc1 ZINC000022517199 522785861 /nfs/dbraw/zinc/78/58/61/522785861.db2.gz GOOUTXNBNUXJJH-OAQYLSRUSA-N 0 1 442.968 5.330 40 0 IKABMN COc1ccc(-c2cc([C@H]3CCCCCN3Cc3ccc(NC(C)=O)cc3)no2)cc1OC ZINC000012185665 523115051 /nfs/dbraw/zinc/11/50/51/523115051.db2.gz AWESESYWKXSEJF-HSZRJFAPSA-N 0 1 449.551 5.435 40 0 IKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000020493391 525296716 /nfs/dbraw/zinc/29/67/16/525296716.db2.gz MKYXSOITIRFYBI-KRWDZBQOSA-N 0 1 442.968 5.249 40 0 IKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000020493390 525297500 /nfs/dbraw/zinc/29/75/00/525297500.db2.gz MKYXSOITIRFYBI-QGZVFWFLSA-N 0 1 442.968 5.249 40 0 IKABMN O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCCC4)cc3[nH]2)cc1)C1CCCCC1 ZINC000000842889 555568441 /nfs/dbraw/zinc/56/84/41/555568441.db2.gz HVQXNCQKIFTORZ-UHFFFAOYSA-N 0 1 444.579 6.268 40 0 IKABMN CCN(CC)c1ccc(N[C@H](c2ccc(Cl)cc2)[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000001669485 555708852 /nfs/dbraw/zinc/70/88/52/555708852.db2.gz ZDSGIPWJEGRVHD-RPWUZVMVSA-N 0 1 429.391 6.726 40 0 IKABMN CCN(CC)c1ccc(N[C@@H](c2ccc(Cl)cc2)[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000001669484 555708871 /nfs/dbraw/zinc/70/88/71/555708871.db2.gz ZDSGIPWJEGRVHD-ZEQRLZLVSA-N 0 1 429.391 6.726 40 0 IKABMN CCOC(=O)N1CCN(CCCCCOc2ccc(CC(C)(C)C)cc2Cl)CC1 ZINC000004429338 555994617 /nfs/dbraw/zinc/99/46/17/555994617.db2.gz HWRANSOWKLLWPN-UHFFFAOYSA-N 0 1 425.013 5.252 40 0 IKABMN CCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)ccc1C ZINC000408626270 555997283 /nfs/dbraw/zinc/99/72/83/555997283.db2.gz VQQOHBAQMPBAAE-UHFFFAOYSA-N 0 1 440.590 5.087 40 0 IKABMN Cc1onc(-c2ccccc2Cl)c1C1=N/C(=C/c2cc(Cl)cc(Cl)c2O)C(=O)O1 ZINC000005648402 556061735 /nfs/dbraw/zinc/06/17/35/556061735.db2.gz OUPLSFAPONKZAR-VIZOYTHASA-N 0 1 449.677 5.660 40 0 IKABMN CCN1CC[C@](O)(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000005810393 556066667 /nfs/dbraw/zinc/06/66/67/556066667.db2.gz OJDYOYOACQNEAI-XOBRGWDASA-N 0 1 447.189 5.713 40 0 IKABMN CCOc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1O[C@H](C)CC ZINC000035302305 556071768 /nfs/dbraw/zinc/07/17/68/556071768.db2.gz KPMGEFWRZFAHDF-BPKVKKHESA-N 0 1 446.887 5.011 40 0 IKABMN CCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 ZINC000035402045 556095287 /nfs/dbraw/zinc/09/52/87/556095287.db2.gz ANNQIRJVRHLMGR-UHFFFAOYSA-N 0 1 442.968 5.572 40 0 IKABMN CC(C)(C)c1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3Br)n2)cc1 ZINC000009199669 556257154 /nfs/dbraw/zinc/25/71/54/556257154.db2.gz QZYDLNDOSRICEM-UHFFFAOYSA-N 0 1 445.386 5.263 40 0 IKABMN O=C1[C@H]2[C@H](c3ccccc3)O[C@@H](c3ccccc3)[C@@H]1[C@H](c1ccccc1)N[C@@H]2c1ccccc1 ZINC000036372328 556307134 /nfs/dbraw/zinc/30/71/34/556307134.db2.gz IBONGHOLTHILSV-KUGJVLABSA-N 0 1 445.562 6.387 40 0 IKABMN Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)cc1C ZINC000027834792 556433996 /nfs/dbraw/zinc/43/39/96/556433996.db2.gz OZFXPOJXYUSITQ-UHFFFAOYSA-N 0 1 437.293 5.832 40 0 IKABMN O=C(Nc1ccccc1Sc1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000039768564 556437350 /nfs/dbraw/zinc/43/73/50/556437350.db2.gz NIGYKWGCUAEZJA-UHFFFAOYSA-N 0 1 437.008 6.342 40 0 IKABMN O=C(NCCSCc1ccccc1Cl)C1CCN(Cc2ccccc2Cl)CC1 ZINC000039773600 556437707 /nfs/dbraw/zinc/43/77/07/556437707.db2.gz FXULMYHHEAMSOI-UHFFFAOYSA-N 0 1 437.436 5.255 40 0 IKABMN O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(Cc2ccccc2Cl)CC1 ZINC000039747478 556438443 /nfs/dbraw/zinc/43/84/43/556438443.db2.gz XRRJXQYQVWKGFY-UHFFFAOYSA-N 0 1 432.178 6.151 40 0 IKABMN O=C(NCCSCc1cccc(Cl)c1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000039755522 556439057 /nfs/dbraw/zinc/43/90/57/556439057.db2.gz QCWBFMFISUZSMS-UHFFFAOYSA-N 0 1 437.436 5.255 40 0 IKABMN O=C(Nc1ccc(OCc2ccccc2)cc1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000039757972 556441664 /nfs/dbraw/zinc/44/16/64/556441664.db2.gz BQHOPSRVZNYZJO-UHFFFAOYSA-N 0 1 434.967 5.770 40 0 IKABMN CCOc1ccc([C@@H](C)NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1OCC ZINC000039759715 556442361 /nfs/dbraw/zinc/44/23/61/556442361.db2.gz ULAXKWXWHOORHR-GOSISDBHSA-N 0 1 445.003 5.227 40 0 IKABMN COC(=O)Nc1nc2cc(Cl)c(Oc3ccc4ccccc4c3Br)cc2[nH]1 ZINC000015134133 556505795 /nfs/dbraw/zinc/50/57/95/556505795.db2.gz KNMDGUFENDUNPW-UHFFFAOYSA-N 0 1 446.688 6.103 40 0 IKABMN CCSc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000030857500 556510513 /nfs/dbraw/zinc/51/05/13/556510513.db2.gz JZQLEQMGHYEPLJ-UHFFFAOYSA-N 0 1 426.563 5.160 40 0 IKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C3CCCCC3)ccc2Cl)c(C)c1 ZINC000030867226 556512569 /nfs/dbraw/zinc/51/25/69/556512569.db2.gz OGPNPOKLKSLIFX-UHFFFAOYSA-N 0 1 434.989 5.162 40 0 IKABMN Fc1ccccc1COc1ccc(Br)cc1CNCc1ccc2c(c1)OCO2 ZINC000016450019 556609175 /nfs/dbraw/zinc/60/91/75/556609175.db2.gz CKMRRVVTVXFYTA-UHFFFAOYSA-N 0 1 444.300 5.186 40 0 IKABMN O=C([C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1)N1CCC(Cc2ccccc2)CC1 ZINC000038850862 556624765 /nfs/dbraw/zinc/62/47/65/556624765.db2.gz AXQQQWIOGZEEGB-JOCHJYFZSA-N 0 1 445.434 5.687 40 0 IKABMN O=C([C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1)N1CCC(Cc2ccccc2)CC1 ZINC000038850865 556624775 /nfs/dbraw/zinc/62/47/75/556624775.db2.gz AXQQQWIOGZEEGB-QFIPXVFZSA-N 0 1 445.434 5.687 40 0 IKABMN O=C([C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1)N1CCC(Cc2ccccc2)CC1 ZINC000038850874 556624807 /nfs/dbraw/zinc/62/48/07/556624807.db2.gz GMJXPSMYSBYWKP-OAQYLSRUSA-N 0 1 445.434 5.687 40 0 IKABMN CCOc1cc(CNCc2cccnc2)cc(Br)c1OCc1ccccc1 ZINC000016688624 556626694 /nfs/dbraw/zinc/62/66/94/556626694.db2.gz TUVWORBJTUYVNM-UHFFFAOYSA-N 0 1 427.342 5.112 40 0 IKABMN CCOc1cc(CNCc2ccccc2Cl)cc(Cl)c1OCc1ccccc1F ZINC000016688754 556627019 /nfs/dbraw/zinc/62/70/19/556627019.db2.gz WKKBVQZLGPXJPW-UHFFFAOYSA-N 0 1 434.338 6.400 40 0 IKABMN CCOc1cc(CNCc2cccnc2)cc(Br)c1OCc1ccccc1F ZINC000016688736 556627067 /nfs/dbraw/zinc/62/70/67/556627067.db2.gz ULVZASQYFCVOHN-UHFFFAOYSA-N 0 1 445.332 5.251 40 0 IKABMN O=C1NC(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)N1 ZINC000083306370 556663088 /nfs/dbraw/zinc/66/30/88/556663088.db2.gz DWNHFYDJPGKUJP-PXLXIMEGSA-N 0 1 439.902 6.485 40 0 IKABMN COc1ccc([C@@H](CC(C)C)NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000044937262 556682917 /nfs/dbraw/zinc/68/29/17/556682917.db2.gz OAWKOMASGHVCLR-XMMPIXPASA-N 0 1 429.004 5.464 40 0 IKABMN CCOC(=O)c1cc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)ccc1Cl ZINC000044939557 556683289 /nfs/dbraw/zinc/68/32/89/556683289.db2.gz MNWRMWDVXNKXFN-INIZCTEOSA-N 0 1 435.351 5.021 40 0 IKABMN Clc1cc2nc(-c3cccc(I)c3)[nH]c2c(Br)c1 ZINC000226342986 556684448 /nfs/dbraw/zinc/68/44/48/556684448.db2.gz MFLBYASXWWMEBK-UHFFFAOYSA-N 0 1 433.474 5.250 40 0 IKABMN Brc1cc2nc(C(c3ccccc3)c3ccccc3)[nH]c2c(Br)c1 ZINC000226342828 556684521 /nfs/dbraw/zinc/68/45/21/556684521.db2.gz WDMRXJWPYMIQCT-UHFFFAOYSA-N 0 1 442.154 6.268 40 0 IKABMN O=C(CN1CCCCCC1)Nc1c2c(nc3ccccc31)N(c1cccc(Cl)c1)CC2 ZINC000000823171 556699429 /nfs/dbraw/zinc/69/94/29/556699429.db2.gz KDMXHTHJLXFTQX-UHFFFAOYSA-N 0 1 434.971 5.397 40 0 IKABMN COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)C4CCCCC4)C=C3C)[nH]c2c1 ZINC000072320949 556709893 /nfs/dbraw/zinc/70/98/93/556709893.db2.gz MPGFIPWDOFNQQX-FUDKSRODSA-N 0 1 437.628 5.665 40 0 biogenic,in-vitro IKABMN O=C1S/C(=C\c2cc(Br)cc(Cl)c2O)C(=O)N1CCc1ccccc1 ZINC000409004878 556713542 /nfs/dbraw/zinc/71/35/42/556713542.db2.gz BYMWJONQEHMZHZ-DHDCSXOGSA-N 0 1 438.730 5.087 40 0 IKABMN CC(C)(C)c1ccc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000013777066 556731004 /nfs/dbraw/zinc/73/10/04/556731004.db2.gz FEXTXOKTCVPOFJ-SGNDLWITSA-N 0 1 444.506 5.174 40 0 IKABMN CC(C)(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000013777066 556731006 /nfs/dbraw/zinc/73/10/06/556731006.db2.gz FEXTXOKTCVPOFJ-SGNDLWITSA-N 0 1 444.506 5.174 40 0 IKABMN Fc1cccc(Nc2cc(-c3cccnc3)nc(C3CCN(Cc4cccnc4)CC3)n2)c1 ZINC000019294176 556734177 /nfs/dbraw/zinc/73/41/77/556734177.db2.gz URUTZLZAHDMYKW-UHFFFAOYSA-N 0 1 440.526 5.196 40 0 IKABMN FC(F)(F)[C@H]1C[C@@H](c2cccs2)Nc2cc([C@H]3CCCN3[C@@H]3CCSC3)nn21 ZINC000019343869 556741849 /nfs/dbraw/zinc/74/18/49/556741849.db2.gz QUDLRRSRMZPSRT-DUFGSWQCSA-N 0 1 428.549 5.247 40 0 IKABMN CCN(CC)c1ncc(CN2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)s1 ZINC000019526517 556784486 /nfs/dbraw/zinc/78/44/86/556784486.db2.gz ROVBHKQBBWXUEQ-UHFFFAOYSA-N 0 1 435.544 5.151 40 0 IKABMN Cc1c(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3nccs3)CC2)[nH]c2ccc(F)cc12 ZINC000019565474 556806248 /nfs/dbraw/zinc/80/62/48/556806248.db2.gz PPXBKEPZNKWUMH-OAQYLSRUSA-N 0 1 442.604 5.188 40 0 IKABMN Cc1cc(Cc2ccccc2C)cc([C@H]2CCCN2C(=O)c2nc3ccc(F)cc3[nH]2)n1 ZINC000019692078 556848139 /nfs/dbraw/zinc/84/81/39/556848139.db2.gz UQNGGBUVYVJQRE-XMMPIXPASA-N 0 1 428.511 5.282 40 0 IKABMN Fc1ccc(OCCc2cc([C@H]3CCCN3Cc3ccnc4ccccc34)[nH]n2)cc1F ZINC000019703712 556862261 /nfs/dbraw/zinc/86/22/61/556862261.db2.gz FMTDBZYWPPVGMA-RUZDIDTESA-N 0 1 434.490 5.195 40 0 IKABMN CC(C)Nc1[nH]nc2nc([C@H]3CCCN(C(=O)C4CCCCC4)C3)cc(C(F)(F)F)c21 ZINC000019742331 556886276 /nfs/dbraw/zinc/88/62/76/556886276.db2.gz QUYPKKFWZMSKBM-HNNXBMFYSA-N 0 1 437.510 5.083 40 0 IKABMN Cc1nc([C@@H]2CCCCN2C2CCCCC2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000019743110 556887441 /nfs/dbraw/zinc/88/74/41/556887441.db2.gz PUWFKKHSCBOYDX-DEOSSOPVSA-N 0 1 432.612 5.167 40 0 IKABMN C=C1N=C(SCc2ccc(Cl)cc2)N[C@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408989725 556910931 /nfs/dbraw/zinc/91/09/31/556910931.db2.gz LSYDXXZIWQHSEO-OAQYLSRUSA-N 0 1 444.984 5.510 40 0 IKABMN C=C1N=C(SCc2ccc(Cl)cc2Cl)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000408991834 556911757 /nfs/dbraw/zinc/91/17/57/556911757.db2.gz RELAPNOGRLKTPE-IBGZPJMESA-N 0 1 435.376 5.764 40 0 IKABMN CC(C)CC(=O)N1CCCC[C@@H]1c1nnc(C2CCN(Cc3ccc(Cl)cc3)CC2)o1 ZINC000072344943 556916128 /nfs/dbraw/zinc/91/61/28/556916128.db2.gz BDUIUKBSWOVANS-OAQYLSRUSA-N 0 1 445.007 5.202 40 0 IKABMN Cc1cccc(Nc2ccc([C@@H]3CCCN3Cc3cc4ccccc4nc3N(C)C)nc2)n1 ZINC000072353094 556925488 /nfs/dbraw/zinc/92/54/88/556925488.db2.gz SMQHXNSFIJWGBC-VWLOTQADSA-N 0 1 438.579 5.480 40 0 IKABMN Cc1cccnc1Nc1ccc([C@H]2CCCN2Cc2cc3ccccc3nc2N(C)C)nc1 ZINC000072353097 556925501 /nfs/dbraw/zinc/92/55/01/556925501.db2.gz RHYANFVXJGSIAT-RUZDIDTESA-N 0 1 438.579 5.480 40 0 IKABMN Cc1c2ccccc2oc1C(=O)N1CC[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 ZINC000072371516 556939424 /nfs/dbraw/zinc/93/94/24/556939424.db2.gz DXYVTNFSAHINSR-QGZVFWFLSA-N 0 1 449.938 5.369 40 0 IKABMN CC(C)(C)c1ccc(-c2nnc(CSc3nc(-c4ccccc4Cl)n[nH]3)o2)cc1 ZINC000019928221 556946149 /nfs/dbraw/zinc/94/61/49/556946149.db2.gz IAPUJPYVBVNXCC-UHFFFAOYSA-N 0 1 425.945 5.765 40 0 IKABMN CC(C)(C)c1ccc(-c2nnc(CSc3nc(-c4ccc(Cl)cc4)n[nH]3)o2)cc1 ZINC000019928782 556946594 /nfs/dbraw/zinc/94/65/94/556946594.db2.gz FYZFQFXNOLJCJZ-UHFFFAOYSA-N 0 1 425.945 5.765 40 0 IKABMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2nnc(-c3ccccc3Cl)o2)n1 ZINC000019929214 556947425 /nfs/dbraw/zinc/94/74/25/556947425.db2.gz UUVAPAAVPPADDH-UHFFFAOYSA-N 0 1 434.308 5.129 40 0 IKABMN COc1ccc2c(c1)c(CN1CCC[C@H]1c1cccc(Nc3ncccn3)n1)cn2C(C)C ZINC000072375778 556953074 /nfs/dbraw/zinc/95/30/74/556953074.db2.gz FQRKMDUUBKUSRD-DEOSSOPVSA-N 0 1 442.567 5.497 40 0 IKABMN COCc1cc(CN2CCC[C@H]2c2cccc(Nc3nccs3)n2)ccc1OC(C)C ZINC000072375844 556953211 /nfs/dbraw/zinc/95/32/11/556953211.db2.gz BCVAAKQKDOUWMU-NRFANRHFSA-N 0 1 438.597 5.552 40 0 IKABMN CCc1nnc([N-]c2cccc(C3CC[NH+](Cc4ccc5ncccc5c4)CC3)n2)s1 ZINC000072376161 556954189 /nfs/dbraw/zinc/95/41/89/556954189.db2.gz NVNAXYYHBJPODL-UHFFFAOYSA-N 0 1 430.581 5.167 40 0 IKABMN CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2Cc2cccc(OC)c2OC)n1 ZINC000072390677 556961392 /nfs/dbraw/zinc/96/13/92/556961392.db2.gz FXGDUJBXQSZRNJ-QFIPXVFZSA-N 0 1 432.568 5.236 40 0 IKABMN CCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000020029971 556968445 /nfs/dbraw/zinc/96/84/45/556968445.db2.gz TTZNEFQNULLJSC-UHFFFAOYSA-N 0 1 447.784 5.577 40 0 IKABMN O=C([O-])C[N@@H+](Cc1ccc(OCc2ccccc2)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000073633138 556977426 /nfs/dbraw/zinc/97/74/26/556977426.db2.gz POTXNYOLCATGPW-UHFFFAOYSA-N 0 1 429.438 5.371 40 0 IKABMN Cc1ccc(CN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 ZINC000020108290 556984020 /nfs/dbraw/zinc/98/40/20/556984020.db2.gz YVRMAMMAVIHKHB-UHFFFAOYSA-N 0 1 442.968 5.030 40 0 IKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C3CCCCC3)ccc2Cl)cc1C ZINC000020110640 556985252 /nfs/dbraw/zinc/98/52/52/556985252.db2.gz QARZAKZTKYPVFT-UHFFFAOYSA-N 0 1 434.989 5.162 40 0 IKABMN Cc1nnc(SCc2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)[nH]1 ZINC000020293592 557005918 /nfs/dbraw/zinc/00/59/18/557005918.db2.gz NZTKEKAXSABOHJ-UHFFFAOYSA-N 0 1 449.388 6.179 40 0 IKABMN Cc1n[nH]c(SCc2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)n1 ZINC000020293592 557005923 /nfs/dbraw/zinc/00/59/23/557005923.db2.gz NZTKEKAXSABOHJ-UHFFFAOYSA-N 0 1 449.388 6.179 40 0 IKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccccc3)ccc2Cl)cc1C ZINC000408545796 557034353 /nfs/dbraw/zinc/03/43/53/557034353.db2.gz OKEPISRXGSRBOU-QGZVFWFLSA-N 0 1 442.968 5.249 40 0 IKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3)ccc2Cl)c1C ZINC000408545806 557034509 /nfs/dbraw/zinc/03/45/09/557034509.db2.gz OMQRJXNPDPLNDP-UHFFFAOYSA-N 0 1 432.904 5.149 40 0 IKABMN CCc1cccc(C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000408548163 557034985 /nfs/dbraw/zinc/03/49/85/557034985.db2.gz QBPCYYVXQVWSKK-UHFFFAOYSA-N 0 1 442.968 5.572 40 0 IKABMN CC(C)CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000408588144 557046260 /nfs/dbraw/zinc/04/62/60/557046260.db2.gz CQGDIYFJKYHHST-UHFFFAOYSA-N 0 1 439.537 5.057 40 0 IKABMN CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000408589855 557055458 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O=C(CSc1nc2ccc(Br)cc2[nH]1)Nc1ccc(Cl)c(Cl)c1 ZINC000020765267 557127689 /nfs/dbraw/zinc/12/76/89/557127689.db2.gz JIZMWHYLAAQVRO-UHFFFAOYSA-N 0 1 431.142 5.363 40 0 IKABMN Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccccc2)c(C)c1 ZINC000102767583 557132712 /nfs/dbraw/zinc/13/27/12/557132712.db2.gz UNPWUJZCWFCHDA-RJGXRXQPSA-N 0 1 432.907 5.008 40 0 IKABMN COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1 ZINC000216050822 557139034 /nfs/dbraw/zinc/13/90/34/557139034.db2.gz LPMRKQOPLOUSCD-UHFFFAOYSA-N 0 1 443.743 5.171 40 0 IKABMN COc1ccc([C@@H]2CC(=Nc3ccc(C)cc3C)C(=O)N2c2ccc(C)cc2C)cc1OC ZINC000103678083 557139252 /nfs/dbraw/zinc/13/92/52/557139252.db2.gz WKEQUWLVMNMMFD-VWLOTQADSA-N 0 1 442.559 6.021 40 0 IKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)Cc3ccccc3)ccc2Cl)cc1C ZINC000409380329 557140644 /nfs/dbraw/zinc/14/06/44/557140644.db2.gz CWLDIJVMQIAYPM-UHFFFAOYSA-N 0 1 442.968 5.030 40 0 IKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2Cl)c1 ZINC000409383802 557141640 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40 0 IKABMN CC1(C)Oc2ccccc2[C@H]2OC[C@@]3(CCC[N@H+]3Cc3ccc(/C=C/C(=O)[O-])cc3)C[C@@H]21 ZINC000257217697 569275997 /nfs/dbraw/zinc/27/59/97/569275997.db2.gz DAEWRYRIIOAOLW-BDXKCPEYSA-N 0 1 433.548 5.068 40 0 IKABMN CC(C)n1c(CN2CCC[C@H](c3ccc(Cc4cccc(F)c4)cn3)C2)nc2ccccc21 ZINC000257212047 569276009 /nfs/dbraw/zinc/27/60/09/569276009.db2.gz CBRTWPHQYDOXMV-QHCPKHFHSA-N 0 1 442.582 6.122 40 0 IKABMN CC(C)Oc1cccc(CN2CCCC[C@@H]2c2[nH]ncc2C(=O)N(C)Cc2ccccc2)c1 ZINC000257221223 569276166 /nfs/dbraw/zinc/27/61/66/569276166.db2.gz DOAXLPKTVJZDBR-RUZDIDTESA-N 0 1 446.595 5.196 40 0 IKABMN CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CC[N@@H+](Cc4ccccc4C(=O)[O-])C[C@H]3C[C@@H]21 ZINC000257243118 569276883 /nfs/dbraw/zinc/27/68/83/569276883.db2.gz IFOAVRZNDUTLOA-SBQCITLYSA-N 0 1 441.955 5.178 40 0 IKABMN CCCCc1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)n[nH]1 ZINC000257275594 569277655 /nfs/dbraw/zinc/27/76/55/569277655.db2.gz NPZKPNXFZCHSMP-OAQYLSRUSA-N 0 1 426.948 5.352 40 0 IKABMN FC(F)(F)[C@H]1C[C@@H](c2cccs2)Nc2cc([C@@H]3CCCN3[C@H]3CCSC3)nn21 ZINC000257294439 569278403 /nfs/dbraw/zinc/27/84/03/569278403.db2.gz QUDLRRSRMZPSRT-NZUILWFCSA-N 0 1 428.549 5.247 40 0 IKABMN CC(C)(C)C(=O)N[C@H](C[C@H]1CCCCN1Cc1ccc(Cl)cc1Cl)c1ccccn1 ZINC000257316123 569278999 /nfs/dbraw/zinc/27/89/99/569278999.db2.gz VEFQXRJPEHGJOG-DENIHFKCSA-N 0 1 448.438 6.037 40 0 IKABMN C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(O)c(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)ccc1OC2(C)C ZINC000257323740 569279208 /nfs/dbraw/zinc/27/92/08/569279208.db2.gz WLQIVKBCVXNHKR-MBWHEUGSSA-N 0 1 448.607 5.087 40 0 IKABMN CC(C)(C)C(=O)N[C@@H](C[C@@H]1CCCCN1Cc1ccc(Cl)cc1F)c1ccccn1 ZINC000257322226 569279284 /nfs/dbraw/zinc/27/92/84/569279284.db2.gz WFCJOGZGQRLQQN-UGKGYDQZSA-N 0 1 431.983 5.522 40 0 IKABMN COc1c(C)cccc1C(=O)N1CC[C@@H](c2cc(Nc3nc(C)c(C)s3)cc(C)n2)C1 ZINC000257322029 569279335 /nfs/dbraw/zinc/27/93/35/569279335.db2.gz WEHXMKFFNSCHTN-GOSISDBHSA-N 0 1 436.581 5.154 40 0 IKABMN CCCCc1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)n[nH]1 ZINC000257340646 569279743 /nfs/dbraw/zinc/27/97/43/569279743.db2.gz ZHARGMARRJTGII-NRFANRHFSA-N 0 1 426.948 5.352 40 0 IKABMN COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4nc5ccc(F)cc5[nH]4)C3)c2)cc1 ZINC000257340560 569279836 /nfs/dbraw/zinc/27/98/36/569279836.db2.gz ZGROGCHBZYHMPO-SFHVURJKSA-N 0 1 444.510 5.101 40 0 IKABMN CC(C)c1nc(NC2CCCCC2)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)n1 ZINC000329013981 569285463 /nfs/dbraw/zinc/28/54/63/569285463.db2.gz MTCNGYYWNHUHHS-UHFFFAOYSA-N 0 1 434.506 5.806 40 0 IKABMN Cc1cc(Nc2ccccc2)nc2cc(OC(C)C)c(S(=O)(=O)Nc3ccccc3)cc12 ZINC000227148834 569431663 /nfs/dbraw/zinc/43/16/63/569431663.db2.gz ZKLIQMRWMSRZEH-UHFFFAOYSA-N 0 1 447.560 5.875 40 0 IKABMN CC[C@H](C)C[C@H](C)/C=C(\C)[C@@H]1O[C@@H](c2c(O)c(-c3ccc(O)cc3)c[nH]c2=O)CC[C@H]1C ZINC000257651043 291389801 /nfs/dbraw/zinc/38/98/01/291389801.db2.gz YDGOHTBOOYAVOP-RXGASFOTSA-N 0 1 439.596 6.740 40 0 biogenic,in-vitro IKABMN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(Nc1ccccc1)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000035938065 519825803 /nfs/dbraw/zinc/82/58/03/519825803.db2.gz CFNNBDMQWZZTNH-MTSBXXTOSA-N 0 1 449.616 8.161 40 0 IKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)ccc2Cl)cc1 ZINC000022511728 525295080 /nfs/dbraw/zinc/29/50/80/525295080.db2.gz POXXXNYAEPHARU-OAHLLOKOSA-N 0 1 446.931 5.079 40 0 IKABMN C[C@H](NCc1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccccc1 ZINC000022074156 525427908 /nfs/dbraw/zinc/42/79/08/525427908.db2.gz FTYLWPGVPQOCMZ-INIZCTEOSA-N 0 1 430.773 6.532 40 0 IKABMN C[C@@H](NCc1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccccc1 ZINC000022074154 525511016 /nfs/dbraw/zinc/51/10/16/525511016.db2.gz FTYLWPGVPQOCMZ-MRXNPFEDSA-N 0 1 430.773 6.532 40 0 IKABMN Cc1ccc2nc([C@H]3CCCN(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)C3)[nH]c2c1 ZINC000012879520 526103994 /nfs/dbraw/zinc/10/39/94/526103994.db2.gz REQGIVUAXJJKCW-ZDUSSCGKSA-N 0 1 436.865 5.955 40 0 IKABMN Fc1ccc(C(OCCN2CCN(C/C=C/c3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000022454217 526326555 /nfs/dbraw/zinc/32/65/55/526326555.db2.gz DASHZBBQOARCMQ-QPJJXVBHSA-N 0 1 448.557 5.402 40 0 in-vitro IKABMN O=C(Nc1ccc(-c2nc3cc(-c4nc5ccccc5o4)ccc3[nH]2)cc1)C1CCCCC1 ZINC000020534038 527139697 /nfs/dbraw/zinc/13/96/97/527139697.db2.gz MGXVQIZKCGLJGS-UHFFFAOYSA-N 0 1 436.515 6.557 40 0 IKABMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000034737917 555507767 /nfs/dbraw/zinc/50/77/67/555507767.db2.gz OUKXKLTXZKXRHU-UHFFFAOYSA-N 0 1 435.332 5.355 40 0 IKABMN CCN1CC[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000001628522 555707035 /nfs/dbraw/zinc/70/70/35/555707035.db2.gz OJDYOYOACQNEAI-VBKZILBWSA-N 0 1 447.189 5.713 40 0 IKABMN CCOc1ccc2c(c1)S[C@H](c1ccc(N(C)C)cc1)C=C(c1ccc(OC)cc1)N2 ZINC000003846941 555948407 /nfs/dbraw/zinc/94/84/07/555948407.db2.gz GVSVDYLFQFMYIB-VWLOTQADSA-N 0 1 432.589 6.460 40 0 IKABMN Cc1ccc2[nH]c(C[C@H]3C[N@@H+](Cc4ccc(C(F)(F)F)cc4)CC[C@H]3CC(=O)[O-])nc2c1 ZINC000514288635 556025340 /nfs/dbraw/zinc/02/53/40/556025340.db2.gz JLNJBCQHEIZPIN-ROUUACIJSA-N 0 1 445.485 5.046 40 0 biogenic,in-vitro IKABMN Cc1ccc2nc(C[C@H]3C[N@H+](Cc4ccc(C(F)(F)F)cc4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514288635 556025343 /nfs/dbraw/zinc/02/53/43/556025343.db2.gz JLNJBCQHEIZPIN-ROUUACIJSA-N 0 1 445.485 5.046 40 0 biogenic,in-vitro IKABMN Cc1ccc2nc(C[C@H]3C[N@@H+](Cc4ccc(C(F)(F)F)cc4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514288635 556025346 /nfs/dbraw/zinc/02/53/46/556025346.db2.gz JLNJBCQHEIZPIN-ROUUACIJSA-N 0 1 445.485 5.046 40 0 biogenic,in-vitro IKABMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2)ccc1Cl ZINC000035419119 556100168 /nfs/dbraw/zinc/10/01/68/556100168.db2.gz LBZMTNKQVPXKOA-UHFFFAOYSA-N 0 1 435.332 5.355 40 0 IKABMN CC(C)(C)c1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000009199457 556257034 /nfs/dbraw/zinc/25/70/34/556257034.db2.gz DZPRDVBDDCYZFT-UHFFFAOYSA-N 0 1 435.380 5.807 40 0 IKABMN CC(C)(C)c1ccc(-c2n[nH]c(SCC(=O)Nc3cccc(Cl)c3Cl)n2)cc1 ZINC000009199449 556257081 /nfs/dbraw/zinc/25/70/81/556257081.db2.gz GZUUAXYWDRXNQU-UHFFFAOYSA-N 0 1 435.380 5.807 40 0 IKABMN Cc1ccccc1-c1nc2ccc(Oc3ccc4[nH]c(-c5ccccc5C)nc4c3)cc2[nH]1 ZINC000009694164 556306306 /nfs/dbraw/zinc/30/63/06/556306306.db2.gz GGFJHXXNIZGLPU-UHFFFAOYSA-N 0 1 430.511 7.182 40 0 IKABMN Nc1cccc(-c2nc3cc(Cc4ccc5nc(-c6cccc(N)c6)[nH]c5c4)ccc3[nH]2)c1 ZINC000009782567 556308920 /nfs/dbraw/zinc/30/89/20/556308920.db2.gz IRRKPDYHOIWPNQ-UHFFFAOYSA-N 0 1 430.515 5.528 40 0 IKABMN Nc1cccc(-c2nc3ccc(Cc4ccc5nc(-c6cccc(N)c6)[nH]c5c4)cc3[nH]2)c1 ZINC000009782567 556308922 /nfs/dbraw/zinc/30/89/22/556308922.db2.gz IRRKPDYHOIWPNQ-UHFFFAOYSA-N 0 1 430.515 5.528 40 0 IKABMN Cc1onc(C(C)C)c1C(=O)N1CCC(c2nc3ccc(F)cn3c2NC(C)(C)C)CC1 ZINC000012087500 556400508 /nfs/dbraw/zinc/40/05/08/556400508.db2.gz DGSMUPYTQMRUAQ-UHFFFAOYSA-N 0 1 441.551 5.123 40 0 IKABMN O=C1[C@H]2[C@H](c3ccccc3)O[C@@H](c3ccccc3)[C@@H]1[C@@H](c1ccccc1)N[C@@H]2c1ccccc1 ZINC000039580841 556435651 /nfs/dbraw/zinc/43/56/51/556435651.db2.gz IBONGHOLTHILSV-NRKQVIEJSA-N 0 1 445.562 6.387 40 0 IKABMN O=C(NCCSCc1ccccc1Cl)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000039762455 556436578 /nfs/dbraw/zinc/43/65/78/556436578.db2.gz BIQJKPUQVWUNOQ-UHFFFAOYSA-N 0 1 437.436 5.255 40 0 IKABMN O=C(C1CCN(Cc2ccccc2Cl)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000039767761 556436949 /nfs/dbraw/zinc/43/69/49/556436949.db2.gz KDVBBNCQWISBQH-UHFFFAOYSA-N 0 1 432.995 5.781 40 0 IKABMN CCOc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1OCC ZINC000039758703 556441919 /nfs/dbraw/zinc/44/19/19/556441919.db2.gz YBERMLWWFRGPNX-SFHVURJKSA-N 0 1 445.003 5.227 40 0 IKABMN CCOc1ccc([C@H](C)NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1OCC ZINC000039759716 556442241 /nfs/dbraw/zinc/44/22/41/556442241.db2.gz ULAXKWXWHOORHR-SFHVURJKSA-N 0 1 445.003 5.227 40 0 IKABMN Cc1cccc2cc(CN([C@@H](c3nnnn3C3CCCC3)C(C)C)C3CCCC3)c(=O)[nH]c12 ZINC000013500604 556509427 /nfs/dbraw/zinc/50/94/27/556509427.db2.gz HDZJPZWRVUTDQT-XMMPIXPASA-N 0 1 448.615 5.080 40 0 IKABMN CCCCc1ccc(N=C2C[C@H](c3ccccc3)N(c3ccc(CCCC)cc3)C2=O)cc1 ZINC000015304728 556517545 /nfs/dbraw/zinc/51/75/45/556517545.db2.gz BKSNBLAWWIWSDJ-GDLZYMKVSA-N 0 1 438.615 7.456 40 0 IKABMN COc1cccc(C(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)c1 ZINC000032116389 556532194 /nfs/dbraw/zinc/53/21/94/556532194.db2.gz OWPGJZCFAVFBAJ-UHFFFAOYSA-N 0 1 439.265 5.224 40 0 IKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@H]3C)ccc2Cl)c1 ZINC000013668978 556549467 /nfs/dbraw/zinc/54/94/67/556549467.db2.gz OUMDEFYCZOCLRB-MRXNPFEDSA-N 0 1 440.952 5.041 40 0 IKABMN Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COc2ccc(C3CCCCC3)cc2)CC1 ZINC000033541891 556565550 /nfs/dbraw/zinc/56/55/50/556565550.db2.gz XLWFWQMRMCBPCK-XMMPIXPASA-N 0 1 443.031 5.258 40 0 IKABMN COc1cc(CNCc2ccncc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016195660 556590150 /nfs/dbraw/zinc/59/01/50/556590150.db2.gz UVNKJYMVPCEQQN-UHFFFAOYSA-N 0 1 437.754 5.919 40 0 IKABMN COc1cc(CNCc2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccccc1Cl ZINC000016195829 556590436 /nfs/dbraw/zinc/59/04/36/556590436.db2.gz JDMQPEPJEJXIGS-UHFFFAOYSA-N 0 1 446.330 5.600 40 0 IKABMN Cc1ccc2[nH]c(SCc3ccccc3CSc3nc4ccc(C)cc4[nH]3)nc2c1 ZINC000016348348 556601837 /nfs/dbraw/zinc/60/18/37/556601837.db2.gz RODKCKKKJDHHHX-UHFFFAOYSA-N 0 1 430.602 6.641 40 0 IKABMN Cc1ccc2nc(SCc3ccccc3CSc3nc4ccc(C)cc4[nH]3)[nH]c2c1 ZINC000016348348 556601838 /nfs/dbraw/zinc/60/18/38/556601838.db2.gz RODKCKKKJDHHHX-UHFFFAOYSA-N 0 1 430.602 6.641 40 0 IKABMN CCOc1cc(CNCc2cccnc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000016688507 556626365 /nfs/dbraw/zinc/62/63/65/556626365.db2.gz WMWOYLDAEDJEPM-UHFFFAOYSA-N 0 1 445.332 5.251 40 0 IKABMN CCOc1cc(CNCc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000016688699 556626709 /nfs/dbraw/zinc/62/67/09/556626709.db2.gz ZSEPTJLKIKHHFG-UHFFFAOYSA-N 0 1 434.338 6.400 40 0 IKABMN Brc1cc2nc(-c3ccccc3Br)[nH]c2c(Br)c1 ZINC000226343134 556684566 /nfs/dbraw/zinc/68/45/66/556684566.db2.gz LWLPSPQSBHDBQS-UHFFFAOYSA-N 0 1 430.925 5.517 40 0 IKABMN C[C@]12CC[C@@H]3c4cc(Br)c(O)c(Br)c4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000017417717 556677075 /nfs/dbraw/zinc/67/70/75/556677075.db2.gz 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40 0 IKABMN O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@]2(CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100356 568872788 /nfs/dbraw/zinc/87/27/88/568872788.db2.gz INILVMLDFSZBHZ-HHHXNRCGSA-N 0 1 432.539 5.345 40 0 IKABMN O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@]2(CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100356 568872789 /nfs/dbraw/zinc/87/27/89/568872789.db2.gz INILVMLDFSZBHZ-HHHXNRCGSA-N 0 1 432.539 5.345 40 0 IKABMN CCc1cc([C@H](c2cccc(OC)c2)N2CCC(C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000001235991 568885852 /nfs/dbraw/zinc/88/58/52/568885852.db2.gz KJZITLVURIBBHV-VWLOTQADSA-N 0 1 448.632 6.393 40 0 IKABMN Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2Cl)N2CCCCC2)c1C ZINC000002546503 569097403 /nfs/dbraw/zinc/09/74/03/569097403.db2.gz GFAKGLXDDINFCN-HSZRJFAPSA-N 0 1 439.024 6.846 40 0 IKABMN CCOc1ccc([C@@H](c2cc(CC)sc2NC(=O)c2ccccc2)N2CCCCC2)cc1 ZINC000002551825 569097988 /nfs/dbraw/zinc/09/79/88/569097988.db2.gz AJIBXAQCZZSLDK-VWLOTQADSA-N 0 1 448.632 6.537 40 0 IKABMN O=C(CN(c1n[nH]c(=S)s1)c1ccccc1)Nc1c(Cl)cc(Cl)cc1Cl 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CC(C)Oc1cccc(CN2CCC[C@H]([C@@H](NC(=O)C3CCCC3)c3nccs3)C2)c1 ZINC000019450871 569226673 /nfs/dbraw/zinc/22/66/73/569226673.db2.gz LRWDIRNFKZDFFZ-JTHBVZDNSA-N 0 1 441.641 5.190 40 0 IKABMN Cc1cc(-c2ccccc2)cc(C2CCN(C(=O)CCc3nc4ccc(F)cc4[nH]3)CC2)n1 ZINC000019691424 569227809 /nfs/dbraw/zinc/22/78/09/569227809.db2.gz NSPWTQWASCZISQ-UHFFFAOYSA-N 0 1 442.538 5.411 40 0 IKABMN Cc1nc([C@]2(O)CCCN(Cc3cccc(F)c3)CC2)sc1CCOc1ccccc1 ZINC000019738688 569235950 /nfs/dbraw/zinc/23/59/50/569235950.db2.gz CNIMHYJTYMKPTF-VWLOTQADSA-N 0 1 440.584 5.086 40 0 IKABMN CCc1ccc(N2C(=O)C(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)NC2=S)cc1 ZINC000033403765 569243869 /nfs/dbraw/zinc/24/38/69/569243869.db2.gz HILBIYIUMJMFRC-AQTBWJFISA-N 0 1 447.472 5.089 40 0 IKABMN O=C(Nc1cccc2ccccc21)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000033475437 569244236 /nfs/dbraw/zinc/24/42/36/569244236.db2.gz QDUGHJLNMRVNIS-UHFFFAOYSA-N 0 1 436.920 5.546 40 0 IKABMN CCCCc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c2C)cc1 ZINC000033583574 569244632 /nfs/dbraw/zinc/24/46/32/569244632.db2.gz YMHPDIRIGSDBMZ-HZHRSRAPSA-N 0 1 445.519 5.532 40 0 IKABMN Cc1ccc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c1 ZINC000033655191 569245392 /nfs/dbraw/zinc/24/53/92/569245392.db2.gz ASJWHSCJDBYUPR-UHFFFAOYSA-N 0 1 442.968 5.627 40 0 IKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc2Cl)cc1C ZINC000033741713 569246492 /nfs/dbraw/zinc/24/64/92/569246492.db2.gz CQIYYHZBUQEEIS-UHFFFAOYSA-N 0 1 428.941 5.318 40 0 IKABMN CCOc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1 ZINC000033745069 569246510 /nfs/dbraw/zinc/24/65/10/569246510.db2.gz KHBDHPRBBSHADO-UHFFFAOYSA-N 0 1 444.940 5.100 40 0 IKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2Cl)c1 ZINC000033879536 569247113 /nfs/dbraw/zinc/24/71/13/569247113.db2.gz DKVLWJMKLHGTJE-UHFFFAOYSA-N 0 1 428.941 5.318 40 0 IKABMN Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1 ZINC000034687441 569247204 /nfs/dbraw/zinc/24/72/04/569247204.db2.gz FERAECNZNJWECA-UHFFFAOYSA-N 0 1 428.941 5.318 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Cc1ccc2n[nH]c(C(=O)N3CCC[C@H]3c3ccc(Cc4ccc(Cl)cc4)cn3)c2c1 ZINC000257338566 569279665 /nfs/dbraw/zinc/27/96/65/569279665.db2.gz YXZAIIFQXSXWON-QHCPKHFHSA-N 0 1 430.939 5.488 40 0 IKABMN CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CC[N@@H+](Cc4ccc(C(=O)[O-])cc4)C[C@@H]3C[C@H]21 ZINC000257345091 569279987 /nfs/dbraw/zinc/27/99/87/569279987.db2.gz ZZXPGTDJAKUMGZ-HWLQVEPHSA-N 0 1 441.955 5.178 40 0 IKABMN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@]2(c2ccccc2)C(=O)N1c1ccccc1 ZINC000009013638 569292989 /nfs/dbraw/zinc/29/29/89/569292989.db2.gz FWDPHRPQKVGFJL-HFASVGIHSA-N 0 1 446.506 5.060 40 0 IKABMN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@]2(c2ccccc2)C(=O)N1c1ccccc1 ZINC000009013638 569292991 /nfs/dbraw/zinc/29/29/91/569292991.db2.gz FWDPHRPQKVGFJL-HFASVGIHSA-N 0 1 446.506 5.060 40 0 IKABMN C[C@H]1CCc2c3cc(NS(=O)(=O)c4ccc5ccccc5c4)c4ccccc4c3oc2C1 ZINC000008765744 569474832 /nfs/dbraw/zinc/47/48/32/569474832.db2.gz OOPFBTHVBBTLSJ-KRWDZBQOSA-N 0 1 441.552 6.665 40 0 IKABMN CCCC1=NC(=S)N[C@@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)C1C(=O)OCC ZINC000408605178 193973932 /nfs/dbraw/zinc/97/39/32/193973932.db2.gz KUISMTRDOPLNGH-SFHVURJKSA-N 0 1 439.364 5.390 40 0 IKABMN CC(=O)Nc1ccc(CN2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)cc1 ZINC000012185744 519715884 /nfs/dbraw/zinc/71/58/84/519715884.db2.gz RGGKQYBOIJADEI-JOCHJYFZSA-N 0 1 433.508 5.146 40 0 IKABMN CCc1ccccc1NC(=O)CN1CCC(n2c(C)nc3cc(C(F)(F)F)ccc32)CC1 ZINC000012640256 521864517 /nfs/dbraw/zinc/86/45/17/521864517.db2.gz FFXVSPLNUGOVMH-UHFFFAOYSA-N 0 1 444.501 5.202 40 0 IKABMN CCc1nnc(SCc2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)[nH]1 ZINC000020611443 522136322 /nfs/dbraw/zinc/13/63/22/522136322.db2.gz MYWYVEOEXHXTEK-UHFFFAOYSA-N 0 1 430.961 5.109 40 0 IKABMN CCc1n[nH]c(SCc2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)n1 ZINC000020611443 522136336 /nfs/dbraw/zinc/13/63/36/522136336.db2.gz MYWYVEOEXHXTEK-UHFFFAOYSA-N 0 1 430.961 5.109 40 0 IKABMN CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1)c1ccccc1 ZINC000022511054 522534129 /nfs/dbraw/zinc/53/41/29/522534129.db2.gz VPBHPIJZKDUQTC-FQEVSTJZSA-N 0 1 428.941 5.022 40 0 IKABMN CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1)c1ccccc1 ZINC000022517204 522534391 /nfs/dbraw/zinc/53/43/91/522534391.db2.gz GOOUTXNBNUXJJH-NRFANRHFSA-N 0 1 442.968 5.330 40 0 IKABMN COc1ccc(CNCc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 ZINC000022076757 524072244 /nfs/dbraw/zinc/07/22/44/524072244.db2.gz NXMLWAVUXLIKGO-UHFFFAOYSA-N 0 1 430.317 5.466 40 0 IKABMN COc1ccc(CNCc2cc(Br)ccc2OCc2ccccc2Cl)cc1 ZINC000022076751 524072405 /nfs/dbraw/zinc/07/24/05/524072405.db2.gz KWGKFIHTBQQCHO-UHFFFAOYSA-N 0 1 446.772 5.980 40 0 IKABMN Cc1ccc(CNCc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000022076702 524583719 /nfs/dbraw/zinc/58/37/19/524583719.db2.gz QTMBSXDFSOZBDQ-UHFFFAOYSA-N 0 1 430.773 6.280 40 0 IKABMN O=C(CN1CCC(c2nc3ccccc3s2)CC1)N(C1CCCCC1)C1CCCCC1 ZINC000012876381 526730191 /nfs/dbraw/zinc/73/01/91/526730191.db2.gz XFHNATOTCKNXCY-UHFFFAOYSA-N 0 1 439.669 5.970 40 0 IKABMN O=C(CSc1nc(-c2ccccc2O)n[nH]1)N1c2ccccc2Sc2ccccc21 ZINC000012483090 527051202 /nfs/dbraw/zinc/05/12/02/527051202.db2.gz WOZDSAQDODJJBV-UHFFFAOYSA-N 0 1 432.530 5.099 40 0 IKABMN CC1(C)[C@@H](N2CCCC2)N(C(=O)c2ccccc2)SC12c1ccccc1-c1ccccc12 ZINC000001711420 555710548 /nfs/dbraw/zinc/71/05/48/555710548.db2.gz PGLYNCLKWXJSBP-SANMLTNESA-N 0 1 440.612 6.163 40 0 IKABMN Cc1ccc(NC(=S)NP(=O)(Oc2ccccc2)Oc2ccccc2)c(Cl)c1 ZINC000001751619 555712340 /nfs/dbraw/zinc/71/23/40/555712340.db2.gz VLELXZFZJFQPAF-UHFFFAOYSA-N 0 1 432.869 6.201 40 0 IKABMN CCCC1=NC(=S)N[C@@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1C(=O)OCC ZINC000408609908 555980135 /nfs/dbraw/zinc/98/01/35/555980135.db2.gz PJHAXCQFBFFLKA-SFHVURJKSA-N 0 1 438.471 5.102 40 0 IKABMN C[C@]12CC[C@@H]3c4cc(Br)c(O)c(Br)c4CC[C@@H]3[C@@H]1CC[C@@H]2O ZINC000004946193 556023099 /nfs/dbraw/zinc/02/30/99/556023099.db2.gz UTXNYGUZJLLOSP-KUQKPUHUSA-N 0 1 430.180 5.134 40 0 biogenic,in-vitro IKABMN O=C(NC(=Cc1cc(Cl)ccc1Cl)c1nc2ccc(Cl)cc2[nH]1)c1ccccc1 ZINC000008652840 556196922 /nfs/dbraw/zinc/19/69/22/556196922.db2.gz LHWCSOURZKUQKJ-JAIQZWGSSA-N 0 1 442.733 6.451 40 0 IKABMN CC(C)(C)c1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(Br)cc3)n2)cc1 ZINC000009199476 556257132 /nfs/dbraw/zinc/25/71/32/556257132.db2.gz FXCVYKHEBHLCPY-UHFFFAOYSA-N 0 1 445.386 5.263 40 0 IKABMN O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000039763345 556436723 /nfs/dbraw/zinc/43/67/23/556436723.db2.gz MYZCRSSLMUMSOK-UHFFFAOYSA-N 0 1 431.285 5.863 40 0 IKABMN O=C(Nc1ccc(CSc2ccccc2)cc1)C1CCN(Cc2ccccc2F)CC1 ZINC000039766961 556437113 /nfs/dbraw/zinc/43/71/13/556437113.db2.gz CORGEAZUOFIJTF-UHFFFAOYSA-N 0 1 434.580 5.969 40 0 IKABMN CCn1c2ccccc2c2cc(NC(=O)C3CCN(Cc4ccc(Cl)cc4)CC3)ccc21 ZINC000039748379 556438429 /nfs/dbraw/zinc/43/84/29/556438429.db2.gz PZHAGRGGQRMJSE-UHFFFAOYSA-N 0 1 445.994 6.319 40 0 IKABMN O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(Cc2ccccc2Cl)CC1 ZINC000039752811 556438734 /nfs/dbraw/zinc/43/87/34/556438734.db2.gz GNKRDXSMXUVTKE-UHFFFAOYSA-N 0 1 431.285 5.863 40 0 IKABMN CC(C)Oc1ccc(CCCNC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000039755665 556439468 /nfs/dbraw/zinc/43/94/68/556439468.db2.gz PNJIDOHDLGWLIN-UHFFFAOYSA-N 0 1 429.004 5.088 40 0 IKABMN O=C(CSc1ccc(Cl)cc1)c1cc(Br)cc(Br)c1O ZINC000015229088 556512673 /nfs/dbraw/zinc/51/26/73/556512673.db2.gz CGNCOQZTGCPASY-UHFFFAOYSA-N 0 1 436.552 5.546 40 0 IKABMN CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccccc1 ZINC000030754562 556504223 /nfs/dbraw/zinc/50/42/23/556504223.db2.gz BXUSIGSAICLOPU-OAQYLSRUSA-N 0 1 442.968 5.330 40 0 IKABMN Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 ZINC000030867843 556512852 /nfs/dbraw/zinc/51/28/52/556512852.db2.gz SCVKVBBQXOVAEY-KRWDZBQOSA-N 0 1 442.968 5.249 40 0 IKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@H]3C)ccc2Cl)cc1 ZINC000013672504 556552991 /nfs/dbraw/zinc/55/29/91/556552991.db2.gz RNIDRFMTBSNKOI-MRXNPFEDSA-N 0 1 440.952 5.041 40 0 IKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2Cl)cc1 ZINC000013672506 556553012 /nfs/dbraw/zinc/55/30/12/556553012.db2.gz RNIDRFMTBSNKOI-INIZCTEOSA-N 0 1 440.952 5.041 40 0 IKABMN COc1cc(CNCc2ccncc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000016195469 556589813 /nfs/dbraw/zinc/58/98/13/556589813.db2.gz LEGYWKRPBCEGGA-UHFFFAOYSA-N 0 1 447.760 5.375 40 0 IKABMN Cc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101076916 556653826 /nfs/dbraw/zinc/65/38/26/556653826.db2.gz CZUDJILWSYVQCR-VABKMULXSA-N 0 1 432.907 5.008 40 0 IKABMN CCCOc1ccccc1CCCNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000044851595 556670754 /nfs/dbraw/zinc/67/07/54/556670754.db2.gz PYDYDXCNUIHWJR-UHFFFAOYSA-N 0 1 429.004 5.090 40 0 IKABMN Cc1ccc2c(c1)[C@@H](NC(=O)C1CCN(Cc3ccccc3Cl)CC1)CC(C)(C)O2 ZINC000044855228 556671336 /nfs/dbraw/zinc/67/13/36/556671336.db2.gz HYCRSJRIDLIWPS-QFIPXVFZSA-N 0 1 426.988 5.279 40 0 IKABMN Cc1ccc2c(c1)[C@@H](NC(=O)C1CCN(Cc3cccc(Cl)c3)CC1)CC(C)(C)O2 ZINC000044855230 556671379 /nfs/dbraw/zinc/67/13/79/556671379.db2.gz QJUYQNNRSCOVMV-QFIPXVFZSA-N 0 1 426.988 5.279 40 0 IKABMN Cc1ccc2c(c1)[C@H](NC(=O)C1CCN(Cc3ccc(Cl)cc3)CC1)CC(C)(C)O2 ZINC000044855231 556671390 /nfs/dbraw/zinc/67/13/90/556671390.db2.gz IFCLWMMMNKJXTD-JOCHJYFZSA-N 0 1 426.988 5.279 40 0 IKABMN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CCN(Cc2ccccc2Cl)CC1 ZINC000044855377 556671580 /nfs/dbraw/zinc/67/15/80/556671580.db2.gz ANOOFPJCNLGCDK-QFIPXVFZSA-N 0 1 426.988 5.279 40 0 IKABMN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000044855380 556671606 /nfs/dbraw/zinc/67/16/06/556671606.db2.gz OSQBIMJNFHSKLU-JOCHJYFZSA-N 0 1 426.988 5.279 40 0 IKABMN CC(C)Oc1cccc(CCCNC(=O)C2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000044916142 556681283 /nfs/dbraw/zinc/68/12/83/556681283.db2.gz XMVXONUGXRSNPL-UHFFFAOYSA-N 0 1 429.004 5.088 40 0 IKABMN Brc1ccc(-c2nc3cc(Br)cc(Br)c3[nH]2)cc1 ZINC000226343072 556684442 /nfs/dbraw/zinc/68/44/42/556684442.db2.gz GTCRAGZXDDSRTN-UHFFFAOYSA-N 0 1 430.925 5.517 40 0 IKABMN CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNCc3cccs3)cc12 ZINC000013564680 556697673 /nfs/dbraw/zinc/69/76/73/556697673.db2.gz RKYZENZNUATALX-UHFFFAOYSA-N 0 1 426.973 5.016 40 0 IKABMN CC1=C[C@@H](CNC(=O)C2CCCCC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 ZINC000072320859 556709817 /nfs/dbraw/zinc/70/98/17/556709817.db2.gz YOVUTAVETDKIAA-ONTIZHBOSA-N 0 1 425.592 5.796 40 0 biogenic,in-vitro IKABMN CCC(CC)C(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3ccc(OC)cc3[nH]2)C[C@H]1C(C)C ZINC000072320948 556709848 /nfs/dbraw/zinc/70/98/48/556709848.db2.gz GJQNVMUORWQKQE-ONTIZHBOSA-N 0 1 425.617 5.521 40 0 biogenic,in-vitro IKABMN COc1cc(OC)c2[nH]c(C)c(CN(Cc3ccccc3)Cc3ccccc3)c(=O)c2c1 ZINC000054219821 556729483 /nfs/dbraw/zinc/72/94/83/556729483.db2.gz JPJMGDBNTBRZHT-UHFFFAOYSA-N 0 1 428.532 5.056 40 0 IKABMN O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3cccc(F)c3F)CC[C@@H]21 ZINC000019292751 556732120 /nfs/dbraw/zinc/73/21/20/556732120.db2.gz ARDBDNZWUFBMSI-ONTIZHBOSA-N 0 1 430.564 5.033 40 0 IKABMN O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2F)C1 ZINC000019400700 556753331 /nfs/dbraw/zinc/75/33/31/556753331.db2.gz UPNOWJXQNJEUJY-NBGIEHNGSA-N 0 1 427.539 5.010 40 0 IKABMN Clc1ccc(C2=C[C@@H](c3ccc(OCc4ccccc4)cc3)N3NC=NC3=N2)cc1Cl ZINC000409058653 556756449 /nfs/dbraw/zinc/75/64/49/556756449.db2.gz UOMNFVXHYGIZJS-QHCPKHFHSA-N 0 1 449.341 5.873 40 0 IKABMN CC(C)[C@@H](O)[P@](=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000001817024 556757980 /nfs/dbraw/zinc/75/79/80/556757980.db2.gz ITBZCTBEJMCLOU-OCUVMPOSSA-N 0 1 430.610 7.109 40 0 IKABMN CC(C)Oc1ccc(CN2CCC([C@H](NC(=O)C(C)(C)C)c3nccs3)CC2)cc1 ZINC000019450608 556761565 /nfs/dbraw/zinc/76/15/65/556761565.db2.gz JGLPXZVMZOABEA-NRFANRHFSA-N 0 1 429.630 5.046 40 0 IKABMN CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN(Cc4cnc(C(C)C)nc4)C3)cc2n1 ZINC000019452292 556763119 /nfs/dbraw/zinc/76/31/19/556763119.db2.gz LYTMMXOTUNAYTN-QGZVFWFLSA-N 0 1 446.521 5.165 40 0 IKABMN CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN(Cc4cnc(C(C)C)nc4)C3)cc2n1 ZINC000019452294 556763202 /nfs/dbraw/zinc/76/32/02/556763202.db2.gz LYTMMXOTUNAYTN-KRWDZBQOSA-N 0 1 446.521 5.165 40 0 IKABMN O=C1Nc2ccccc2S/C1=C\c1cc(Br)cc(Br)c1O ZINC000409095786 556794010 /nfs/dbraw/zinc/79/40/10/556794010.db2.gz JERXLKMBSZZORT-MLPAPPSSSA-N 0 1 427.117 5.003 40 0 IKABMN Cc1nc2cc(F)ccc2n1C1CCN(CC(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000001380388 556796622 /nfs/dbraw/zinc/79/66/22/556796622.db2.gz CWEJFRXFSPLHNR-UHFFFAOYSA-N 0 1 442.538 5.486 40 0 IKABMN CCn1cc(CN2CCC[C@@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)c(C)n1 ZINC000019688346 556843118 /nfs/dbraw/zinc/84/31/18/556843118.db2.gz KZKWDZNWFQYCGP-HSZRJFAPSA-N 0 1 428.502 5.553 40 0 IKABMN Cc1cc(Cc2ccccc2F)cc(C2CCN(C(=O)c3nc4ccc(F)cc4[nH]3)CC2)n1 ZINC000019691835 556847579 /nfs/dbraw/zinc/84/75/79/556847579.db2.gz UCDAVVWTEGCWCW-UHFFFAOYSA-N 0 1 446.501 5.155 40 0 IKABMN Cc1nc([C@@H]2CCCN2C2CCCCCC2)nc2c1CCC(=O)N2Cc1cccc(F)c1 ZINC000019696401 556853436 /nfs/dbraw/zinc/85/34/36/556853436.db2.gz XVBCYNCIZFGILF-QHCPKHFHSA-N 0 1 436.575 5.263 40 0 IKABMN Fc1ccc(OCCc2cc([C@@H]3CCCN3Cc3ccnc4ccccc34)[nH]n2)cc1F ZINC000019703711 556862201 /nfs/dbraw/zinc/86/22/01/556862201.db2.gz FMTDBZYWPPVGMA-VWLOTQADSA-N 0 1 434.490 5.195 40 0 IKABMN COc1cc([C@H]2C=C(c3ccc(Cl)cc3)N=C3N=CNN32)ccc1OCc1ccccc1 ZINC000408919207 556891716 /nfs/dbraw/zinc/89/17/16/556891716.db2.gz UVIGTIUFJJVTNL-JOCHJYFZSA-N 0 1 444.922 5.228 40 0 IKABMN O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2F)C1 ZINC000072330453 556905830 /nfs/dbraw/zinc/90/58/30/556905830.db2.gz UPNOWJXQNJEUJY-CPJSRVTESA-N 0 1 427.539 5.010 40 0 IKABMN CNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2nc3ccccc3n2C(C)C)C1 ZINC000072352488 556924476 /nfs/dbraw/zinc/92/44/76/556924476.db2.gz KIYUKUXXJUPXHF-KRWDZBQOSA-N 0 1 432.593 5.181 40 0 IKABMN Cc1cc(-c2cncnc2)cc([C@@H]2CCCN(Cc3nc4ccccc4n3C(C)C)C2)n1 ZINC000072353669 556927607 /nfs/dbraw/zinc/92/76/07/556927607.db2.gz YWKNROIRKRMSAS-HXUWFJFHSA-N 0 1 426.568 5.157 40 0 IKABMN CNc1ncccc1CN1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072358229 556931786 /nfs/dbraw/zinc/93/17/86/556931786.db2.gz IJHJGWNWYKTLTG-QFIPXVFZSA-N 0 1 426.486 5.465 40 0 IKABMN Cc1ccc(COc2ccc([C@@H]3C=C(c4ccc(Cl)cc4)N=C4N=CNN43)cc2)cc1 ZINC000409059949 556936966 /nfs/dbraw/zinc/93/69/66/556936966.db2.gz ZCEOIHBYPLFCJS-DEOSSOPVSA-N 0 1 428.923 5.528 40 0 IKABMN Cc1ccc(CC(=O)N2CCC[C@@H]2c2ccc3c(n[nH]c3NCc3ccccc3)n2)cc1C ZINC000072374557 556948520 /nfs/dbraw/zinc/94/85/20/556948520.db2.gz KYUWUDDOQWUDSR-XMMPIXPASA-N 0 1 439.563 5.093 40 0 IKABMN Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H](c4cc(Nc5ncccc5C)cc(C)n4)C3)c2c1 ZINC000072375078 556950737 /nfs/dbraw/zinc/95/07/37/556950737.db2.gz WSNYIUZMMNEQNI-LJQANCHMSA-N 0 1 440.551 5.042 40 0 IKABMN CCc1nnc([N-]c2cccc([C@@H]3CCC[N@H+](Cc4ccc5ncccc5c4)C3)n2)s1 ZINC000072376045 556953729 /nfs/dbraw/zinc/95/37/29/556953729.db2.gz RTMCBCOKGAFNMD-LJQANCHMSA-N 0 1 430.581 5.167 40 0 IKABMN CCc1nnc([N-]c2cccc([C@@H]3CCC[N@@H+](Cc4ccc5ncccc5c4)C3)n2)s1 ZINC000072376045 556953734 /nfs/dbraw/zinc/95/37/34/556953734.db2.gz 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/nfs/dbraw/zinc/76/43/96/557764396.db2.gz JFKNTVGGNMKQOS-UHFFFAOYSA-N 0 1 442.587 5.035 40 0 IKABMN O=C(Nc1ccccc1C(F)(F)F)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000059436979 557820887 /nfs/dbraw/zinc/82/08/87/557820887.db2.gz FWISKGKVKNTSKW-UHFFFAOYSA-N 0 1 439.481 5.280 40 0 IKABMN Fc1ccc(-c2cnc3n2C[C@H](CN(Cc2cccs2)Cc2cccs2)OC3)cc1 ZINC000096269295 560054296 /nfs/dbraw/zinc/05/42/96/560054296.db2.gz MOJLSPUZMIHWRD-IBGZPJMESA-N 0 1 439.581 5.413 40 0 biogenic,in-vitro IKABMN Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccc(Cl)cc2)N2CCCCC2)c1C ZINC000002546447 569097369 /nfs/dbraw/zinc/09/73/69/569097369.db2.gz WPFDHGLOCYBXTF-QHCPKHFHSA-N 0 1 439.024 6.846 40 0 IKABMN CCc1cc([C@H](c2ccc(F)cc2)N2CCC(C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000002551843 569098019 /nfs/dbraw/zinc/09/80/19/569098019.db2.gz SEAZZFYKGISAHD-DEOSSOPVSA-N 0 1 436.596 6.523 40 0 IKABMN O=C(NCCSCc1ccc(Cl)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000009063287 569219817 /nfs/dbraw/zinc/21/98/17/569219817.db2.gz WPMCJZSBETYJMP-UHFFFAOYSA-N 0 1 437.436 5.255 40 0 IKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)c3ccccc3)ccc2Cl)c(C)c1 ZINC000010112101 569221269 /nfs/dbraw/zinc/22/12/69/569221269.db2.gz IXRLZERYODKZBC-UHFFFAOYSA-N 0 1 428.941 5.034 40 0 IKABMN CC(C)Oc1cccc(CN2CCC[C@@H]([C@@H](NC(=O)C3CCCC3)c3nccs3)C2)c1 ZINC000019450868 569226543 /nfs/dbraw/zinc/22/65/43/569226543.db2.gz LRWDIRNFKZDFFZ-FYYLOGMGSA-N 0 1 441.641 5.190 40 0 IKABMN Cc1cc(-c2ccccc2)cc([C@H]2CCCN2C(=O)CCc2nc3ccc(F)cc3[nH]2)n1 ZINC000019690581 569227421 /nfs/dbraw/zinc/22/74/21/569227421.db2.gz POGJQUVGMVILFY-XMMPIXPASA-N 0 1 428.511 5.369 40 0 IKABMN CN1CCN(c2ccccc2NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)CC1 ZINC000024595291 569241867 /nfs/dbraw/zinc/24/18/67/569241867.db2.gz ZFUZRBXKSWAIQR-UHFFFAOYSA-N 0 1 430.335 5.258 40 0 IKABMN Cc1ccc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c1 ZINC000033415103 569244014 /nfs/dbraw/zinc/24/40/14/569244014.db2.gz NZKZOAIVIADIPA-UHFFFAOYSA-N 0 1 442.968 5.627 40 0 IKABMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000033632590 569245262 /nfs/dbraw/zinc/24/52/62/569245262.db2.gz PBXLDWKZZXVFKA-XDHOZWIPSA-N 0 1 438.892 5.587 40 0 IKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2Cl)cc1 ZINC000033864434 569247109 /nfs/dbraw/zinc/24/71/09/569247109.db2.gz UDDSVDLMDZGQDR-UHFFFAOYSA-N 0 1 435.332 5.355 40 0 IKABMN CCOc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000034897903 569248131 /nfs/dbraw/zinc/24/81/31/569248131.db2.gz ACMQEXHXLYQTAU-UHFFFAOYSA-N 0 1 444.940 5.100 40 0 IKABMN CCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000035074589 569248242 /nfs/dbraw/zinc/24/82/42/569248242.db2.gz FKTNDNPXDYGRJP-UHFFFAOYSA-N 0 1 442.968 5.572 40 0 IKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2Cl)c1C ZINC000035189985 569248462 /nfs/dbraw/zinc/24/84/62/569248462.db2.gz QKFOXXQETXRJJU-UHFFFAOYSA-N 0 1 449.359 5.663 40 0 IKABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2Cl)c1 ZINC000107757170 569251190 /nfs/dbraw/zinc/25/11/90/569251190.db2.gz ZITOJUUNKCXCBJ-UHFFFAOYSA-N 0 1 449.359 5.663 40 0 IKABMN COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1 ZINC000108131602 569252481 /nfs/dbraw/zinc/25/24/81/569252481.db2.gz OXMYYVUXXDKODS-UHFFFAOYSA-N 0 1 444.940 5.019 40 0 IKABMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2cccc(Cl)c2Cl)n1 ZINC000255931616 569274174 /nfs/dbraw/zinc/27/41/74/569274174.db2.gz FJPVTSHEKJJTBP-UHFFFAOYSA-N 0 1 443.743 5.171 40 0 IKABMN CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CC[N@@H+](Cc4cccc(C(=O)[O-])c4)C[C@@H]3C[C@H]21 ZINC000257202960 569275636 /nfs/dbraw/zinc/27/56/36/569275636.db2.gz AOAFXEMCQCJBLD-HWLQVEPHSA-N 0 1 441.955 5.178 40 0 IKABMN O=C([O-])/C=C/c1ccc(C[N@@H+]2CCCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)cc1 ZINC000257226877 569276320 /nfs/dbraw/zinc/27/63/20/569276320.db2.gz FMNYKEUIVNWANC-UQNNOOFXSA-N 0 1 436.939 5.744 40 0 IKABMN O=C([O-])/C=C/c1ccc(C[N@H+]2CCCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)cc1 ZINC000257226877 569276321 /nfs/dbraw/zinc/27/63/21/569276321.db2.gz FMNYKEUIVNWANC-UQNNOOFXSA-N 0 1 436.939 5.744 40 0 IKABMN Cc1[nH+]ccn1[C@@H]1CCC[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2OCc2ccccc2)[C@H]1O ZINC000257232037 569276421 /nfs/dbraw/zinc/27/64/21/569276421.db2.gz GJEAUQGQHBVRGW-VDKIKQQVSA-N 0 1 439.987 5.010 40 0 IKABMN O=C1CCC[C@]2(C[N@H+](Cc3ccc(Oc4ccccc4)cc3)C[C@H]2c2ccc(F)c(F)c2)N1 ZINC000257228739 569276455 /nfs/dbraw/zinc/27/64/55/569276455.db2.gz FVAISXRFJLRWMY-WNCULLNHSA-N 0 1 448.513 5.395 40 0 IKABMN Cc1cccc(C[N@H+]2[C@H](c3cccc(C(F)(F)F)c3)C[C@]3(C)NC(=O)CCCC[C@H]23)n1 ZINC000257229020 569276541 /nfs/dbraw/zinc/27/65/41/569276541.db2.gz FWGVSTXRPGCINX-FUDKSRODSA-N 0 1 431.502 5.173 40 0 IKABMN Cc1cccc(CN2[C@H](c3cccc(C(F)(F)F)c3)C[C@]3(C)NC(=O)CCCC[C@H]23)n1 ZINC000257229020 569276542 /nfs/dbraw/zinc/27/65/42/569276542.db2.gz FWGVSTXRPGCINX-FUDKSRODSA-N 0 1 431.502 5.173 40 0 IKABMN Cc1cccc(Cc2cncc([C@H]3CCCN3Cc3cccc(OC[C@@H]4CCCO4)c3)n2)c1 ZINC000257232876 569276663 /nfs/dbraw/zinc/27/66/63/569276663.db2.gz GMUOGKSIRYFORM-XTEPFMGCSA-N 0 1 443.591 5.271 40 0 IKABMN CCCCc1cc(C(=O)N2CCC[C@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)n[nH]1 ZINC000257244496 569276945 /nfs/dbraw/zinc/27/69/45/569276945.db2.gz ILPCMUVSMYDJCX-KRWDZBQOSA-N 0 1 426.948 5.004 40 0 IKABMN CCCCc1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)n[nH]1 ZINC000257256853 569277265 /nfs/dbraw/zinc/27/72/65/569277265.db2.gz KNDVUUSVGPZJHI-QGZVFWFLSA-N 0 1 426.948 5.004 40 0 IKABMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 ZINC000257284770 569277887 /nfs/dbraw/zinc/27/78/87/569277887.db2.gz PEFKLRXIQGYONG-HSZRJFAPSA-N 0 1 430.483 5.162 40 0 IKABMN CC(C)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]2Cc2c3ccccc3sc2C(=O)[O-])cc1 ZINC000257283979 569277921 /nfs/dbraw/zinc/27/79/21/569277921.db2.gz PATHIMKSZICNNL-LJQANCHMSA-N 0 1 436.577 5.369 40 0 IKABMN CCn1cc(CN2CCC[C@H]2c2cncc(Nc3ncccc3C)n2)c2cc(OC)ccc21 ZINC000257290412 569278237 /nfs/dbraw/zinc/27/82/37/569278237.db2.gz QCVQANAKEHEMQS-DEOSSOPVSA-N 0 1 442.567 5.244 40 0 IKABMN Cc1cc(Nc2nccs2)cc([C@@H]2CCN(C(=O)CCc3cccc(Cl)c3)C2)n1 ZINC000257295238 569278412 /nfs/dbraw/zinc/27/84/12/569278412.db2.gz QXNVSKYMYUCAFM-QGZVFWFLSA-N 0 1 426.973 5.192 40 0 IKABMN COc1ccc(-c2nccc([C@H]3CCCN3Cc3cccc(Oc4ncccn4)c3)n2)cc1 ZINC000257314879 569279018 /nfs/dbraw/zinc/27/90/18/569279018.db2.gz UYXZXVQCZDWZTE-XMMPIXPASA-N 0 1 439.519 5.072 40 0 IKABMN O=C([O-])c1ccc([C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)nc1CCc1ccc(F)cc1 ZINC000257327561 569279386 /nfs/dbraw/zinc/27/93/86/569279386.db2.gz XBVKRTGQIZHKQC-DEOSSOPVSA-N 0 1 438.930 5.695 40 0 IKABMN CC(C)n1c(CN2CCC[C@@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)nc2ccccc21 ZINC000257339169 569279616 /nfs/dbraw/zinc/27/96/16/569279616.db2.gz ZAMAXNDJDIBMRI-HSZRJFAPSA-N 0 1 442.582 6.122 40 0 IKABMN O=C(c1cc(-c2ccccc2F)[nH]n1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257338216 569279687 /nfs/dbraw/zinc/27/96/87/569279687.db2.gz YWLUXEHAZPRRCC-HSZRJFAPSA-N 0 1 448.473 5.301 40 0 IKABMN CC(C)n1c(CN2CCC(c3ccc(Cc4ccc(F)cc4)cn3)CC2)nc2ccccc21 ZINC000257335443 569279713 /nfs/dbraw/zinc/27/97/13/569279713.db2.gz YKEJOUVUIYJLON-UHFFFAOYSA-N 0 1 442.582 6.122 40 0 IKABMN CCCCc1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)n[nH]1 ZINC000257340647 569279753 /nfs/dbraw/zinc/27/97/53/569279753.db2.gz ZHARGMARRJTGII-OAQYLSRUSA-N 0 1 426.948 5.352 40 0 IKABMN CC(C)c1nc(NC2CCCCC2)cc(N2CCc3cc(Br)ccc3C2)n1 ZINC000328978805 569285144 /nfs/dbraw/zinc/28/51/44/569285144.db2.gz GBNILTXSTUCDEQ-UHFFFAOYSA-N 0 1 429.406 5.670 40 0 IKABMN COc1ccccc1N1CCN(CC[C@](C)(C(=O)C2CCCCC2)c2ccccc2)CC1 ZINC000003941064 132268355 /nfs/dbraw/zinc/26/83/55/132268355.db2.gz GXVHRYDXBSTHCF-NDEPHWFRSA-N 0 1 434.624 5.315 40 0 IKABMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCCc3ccccc32)ccc1Cl ZINC000013649017 132352383 /nfs/dbraw/zinc/35/23/83/132352383.db2.gz OHXQOTXMEHCNQG-UHFFFAOYSA-N 0 1 440.952 5.042 40 0 IKABMN CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1)c1ccc(C)cc1 ZINC000022532283 522534455 /nfs/dbraw/zinc/53/44/55/522534455.db2.gz NUCVVAUYUCCSDI-NRFANRHFSA-N 0 1 442.968 5.330 40 0 IKABMN CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1)c1ccc(C)cc1 ZINC000022532278 522784531 /nfs/dbraw/zinc/78/45/31/522784531.db2.gz NUCVVAUYUCCSDI-OAQYLSRUSA-N 0 1 442.968 5.330 40 0 IKABMN COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3ccc(NC(C)=O)cc3)no2)cc1OC ZINC000012185663 523115319 /nfs/dbraw/zinc/11/53/19/523115319.db2.gz AWESESYWKXSEJF-QHCPKHFHSA-N 0 1 449.551 5.435 40 0 IKABMN CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000020493006 523226788 /nfs/dbraw/zinc/22/67/88/523226788.db2.gz DDHVFIUOLHZIBT-UHFFFAOYSA-N 0 1 449.359 5.066 40 0 IKABMN COc1ccc(CNCc2cc(Br)ccc2OCc2ccccc2F)cc1 ZINC000022076761 524072313 /nfs/dbraw/zinc/07/23/13/524072313.db2.gz FGLYOVUNNMTJLX-UHFFFAOYSA-N 0 1 430.317 5.466 40 0 IKABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N(C)C3CCCCC3)ccc2Cl)c1 ZINC000022531635 524160509 /nfs/dbraw/zinc/16/05/09/524160509.db2.gz FFYAGYVERMSBTO-UHFFFAOYSA-N 0 1 434.989 5.162 40 0 IKABMN Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)cc1 ZINC000020486472 525909821 /nfs/dbraw/zinc/90/98/21/525909821.db2.gz NCIJKTZTONWRNL-KRWDZBQOSA-N 0 1 442.968 5.249 40 0 IKABMN c1[nH]c2ccccc2c1CN1CCC[C@H]1c1nc(-c2ccc(OC3CCCCC3)nc2)no1 ZINC000035425508 526391999 /nfs/dbraw/zinc/39/19/99/526391999.db2.gz OUNARHOHWXBBJP-QHCPKHFHSA-N 0 1 443.551 5.662 40 0 biogenic,in-vitro IKABMN O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1cc2c(ccc3ccccc23)o1 ZINC000020456749 527256073 /nfs/dbraw/zinc/25/60/73/527256073.db2.gz AJVHWTIGMUIDCB-UHFFFAOYSA-N 0 1 443.484 5.034 40 0 IKABMN CCc1ccc(N2C(=O)C(=Cc3cc(C)n(Cc4ccccc4)c3C)C(=O)NC2=S)cc1 ZINC000034745416 555508161 /nfs/dbraw/zinc/50/81/61/555508161.db2.gz IEXCKCOHIQZATA-HZHRSRAPSA-N 0 1 443.572 5.387 40 0 IKABMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccccc2Cl)ccc1Cl ZINC000034897829 555558722 /nfs/dbraw/zinc/55/87/22/555558722.db2.gz ZJTVUQHBQGJELY-UHFFFAOYSA-N 0 1 435.332 5.355 40 0 IKABMN Nc1ccc(-c2nc3ccc(Cc4ccc5[nH]c(-c6ccc(N)cc6)nc5c4)cc3[nH]2)cc1 ZINC000001145631 555653222 /nfs/dbraw/zinc/65/32/22/555653222.db2.gz SCUWNIHBUXBXKG-UHFFFAOYSA-N 0 1 430.515 5.528 40 0 IKABMN Nc1ccc(-c2nc3ccc(Cc4ccc5nc(-c6ccc(N)cc6)[nH]c5c4)cc3[nH]2)cc1 ZINC000001145631 555653225 /nfs/dbraw/zinc/65/32/25/555653225.db2.gz SCUWNIHBUXBXKG-UHFFFAOYSA-N 0 1 430.515 5.528 40 0 IKABMN O=C(Nc1ccccc1-c1ccccc1)c1ccccc1NS(=O)(=O)c1ccccc1 ZINC000408545234 555794437 /nfs/dbraw/zinc/79/44/37/555794437.db2.gz JNKMBEPTKCPBLW-UHFFFAOYSA-N 0 1 428.513 5.407 40 0 IKABMN C[C@]12CC[C@H]3c4cc(Br)c(O)c(Br)c4CC[C@@H]3[C@@H]1CC[C@@H]2O ZINC000004946195 556023123 /nfs/dbraw/zinc/02/31/23/556023123.db2.gz UTXNYGUZJLLOSP-DFCMMDRTSA-N 0 1 430.180 5.134 40 0 biogenic,in-vitro IKABMN CC1(C)[C@H](N2CCCC2)N(C(=O)c2ccccc2)SC12c1ccccc1-c1ccccc12 ZINC000005179701 556035487 /nfs/dbraw/zinc/03/54/87/556035487.db2.gz PGLYNCLKWXJSBP-AREMUKBSSA-N 0 1 440.612 6.163 40 0 IKABMN CCCCCC(C)(C)c1ccc(O)c(Sc2cc(C(C)(C)CCCCC)ccc2O)c1 ZINC000008873331 556229974 /nfs/dbraw/zinc/22/99/74/556229974.db2.gz QOQIBYXBHIHBDQ-UHFFFAOYSA-N 0 1 442.709 8.965 40 0 IKABMN O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000009198135 556256194 /nfs/dbraw/zinc/25/61/94/556256194.db2.gz DCSQLSLJHBCODZ-UHFFFAOYSA-N 0 1 447.269 5.528 40 0 IKABMN Clc1ccccc1-c1n[nH]c(SCc2ccc(I)cc2)n1 ZINC000009197968 556256271 /nfs/dbraw/zinc/25/62/71/556256271.db2.gz QPJGCCPVXBZCAL-UHFFFAOYSA-N 0 1 427.698 5.022 40 0 IKABMN CCOc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1OCC ZINC000039760125 556436421 /nfs/dbraw/zinc/43/64/21/556436421.db2.gz MYFBYCIZSKMDMU-GOSISDBHSA-N 0 1 445.003 5.227 40 0 IKABMN CCn1c2ccccc2c2cc(NC(=O)C3CCN(Cc4ccccc4F)CC3)ccc21 ZINC000039761795 556436599 /nfs/dbraw/zinc/43/65/99/556436599.db2.gz CBTAIMKEQDWEIJ-UHFFFAOYSA-N 0 1 429.539 5.804 40 0 IKABMN CC(C)Oc1ccc(CCCNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000039773355 556437761 /nfs/dbraw/zinc/43/77/61/556437761.db2.gz SEHVLWIUBJEMHD-UHFFFAOYSA-N 0 1 429.004 5.088 40 0 IKABMN O=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000039748339 556438380 /nfs/dbraw/zinc/43/83/80/556438380.db2.gz 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ZINC000013670995 556551741 /nfs/dbraw/zinc/55/17/41/556551741.db2.gz DVWOAULBFBEXNR-UHFFFAOYSA-N 0 1 440.952 5.042 40 0 IKABMN COc1ccccc1N1CCN(CC[C@@](C)(C(=O)C2CCCCC2)c2ccccc2)CC1 ZINC000033965293 556570509 /nfs/dbraw/zinc/57/05/09/556570509.db2.gz GXVHRYDXBSTHCF-MUUNZHRXSA-N 0 1 434.624 5.315 40 0 IKABMN COc1cc(CNCc2ccc(F)cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000016195536 556589849 /nfs/dbraw/zinc/58/98/49/556589849.db2.gz ADKBSKBYOAXZHJ-UHFFFAOYSA-N 0 1 448.307 5.605 40 0 IKABMN COc1cc(CNCc2ccc(F)cc2)cc(Br)c1OCc1ccccc1 ZINC000016195720 556590093 /nfs/dbraw/zinc/59/00/93/556590093.db2.gz BKUPGMHELJAXRW-UHFFFAOYSA-N 0 1 430.317 5.466 40 0 IKABMN COc1cc(CNCc2cccnc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016195657 556590131 /nfs/dbraw/zinc/59/01/31/556590131.db2.gz NPKFWDNDSJFSPY-UHFFFAOYSA-N 0 1 437.754 5.919 40 0 IKABMN COc1cc(CNCc2ccncc2)cc(Br)c1OCc1ccccc1Cl ZINC000016195792 556590157 /nfs/dbraw/zinc/59/01/57/556590157.db2.gz XKOAFEKOILQOBY-UHFFFAOYSA-N 0 1 447.760 5.375 40 0 IKABMN COc1cc(CNCc2ccccc2Cl)cc(Cl)c1OCc1ccccc1Cl ZINC000016195832 556590413 /nfs/dbraw/zinc/59/04/13/556590413.db2.gz IEPQWABEJLOCGT-UHFFFAOYSA-N 0 1 436.766 6.524 40 0 IKABMN COc1cc(CNCc2ccccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000016196325 556590650 /nfs/dbraw/zinc/59/06/50/556590650.db2.gz HSVXOZWQXBIEBO-UHFFFAOYSA-N 0 1 436.766 6.524 40 0 IKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2Cl)c1 ZINC000038757030 556618698 /nfs/dbraw/zinc/61/86/98/556618698.db2.gz BXPODNKNOKRURS-HNNXBMFYSA-N 0 1 446.931 5.079 40 0 IKABMN CCOc1cc(CNCc2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccccc1 ZINC000016688637 556626689 /nfs/dbraw/zinc/62/66/89/556626689.db2.gz VPPWUKIGQVYOPQ-UHFFFAOYSA-N 0 1 425.912 5.336 40 0 IKABMN Cc1ccc(S(=O)(=O)[C@H](Cc2cc(Cl)cc(Cl)c2O)C(=O)c2ccccc2)cc1 ZINC000016940400 556649258 /nfs/dbraw/zinc/64/92/58/556649258.db2.gz BGCMQBUGXHYPCK-HXUWFJFHSA-N 0 1 449.355 5.275 40 0 IKABMN O=C(/C=C/c1ccccc1)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 ZINC000017099372 556664676 /nfs/dbraw/zinc/66/46/76/556664676.db2.gz HKNBBQYLGZPQFP-IZZDOVSWSA-N 0 1 435.277 5.615 40 0 IKABMN Cc1onc(-c2ccccc2Cl)c1C1=N/C(=C\c2cc(Cl)cc(Cl)c2O)C(=O)O1 ZINC000017122384 556668293 /nfs/dbraw/zinc/66/82/93/556668293.db2.gz OUPLSFAPONKZAR-CHHVJCJISA-N 0 1 449.677 5.660 40 0 IKABMN Cc1ccc2c(c1)[C@H](NC(=O)C1CCN(Cc3ccccc3Cl)CC1)CC(C)(C)O2 ZINC000044855227 556671385 /nfs/dbraw/zinc/67/13/85/556671385.db2.gz HYCRSJRIDLIWPS-JOCHJYFZSA-N 0 1 426.988 5.279 40 0 IKABMN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000044855381 556671557 /nfs/dbraw/zinc/67/15/57/556671557.db2.gz OMNAIQQFOBJBFM-QFIPXVFZSA-N 0 1 426.988 5.279 40 0 IKABMN CCOC(=O)c1cc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)ccc1Cl ZINC000044939643 556683220 /nfs/dbraw/zinc/68/32/20/556683220.db2.gz DPMFVVSXHLAYLK-UHFFFAOYSA-N 0 1 435.351 5.021 40 0 IKABMN CCOC(=O)c1cc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)ccc1Cl ZINC000044939645 556683259 /nfs/dbraw/zinc/68/32/59/556683259.db2.gz XALQIUWPVXUSSG-UHFFFAOYSA-N 0 1 435.351 5.021 40 0 IKABMN C=C1N=C(SCc2ccccc2Cl)N[C@@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408987991 556693481 /nfs/dbraw/zinc/69/34/81/556693481.db2.gz GOGDQHRNLVLTDY-NRFANRHFSA-N 0 1 444.984 5.510 40 0 IKABMN Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000019236815 556721462 /nfs/dbraw/zinc/72/14/62/556721462.db2.gz ADGJBNCZRZMHMZ-CPJSRVTESA-N 0 1 435.518 5.052 40 0 IKABMN Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000013749558 556725557 /nfs/dbraw/zinc/72/55/57/556725557.db2.gz CZUDJILWSYVQCR-VJBWXMMDSA-N 0 1 432.907 5.008 40 0 IKABMN Fc1cccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCCN3C3CCOCC3)n2)c1 ZINC000019294053 556733544 /nfs/dbraw/zinc/73/35/44/556733544.db2.gz GGTHTNFTQHJAJC-HSZRJFAPSA-N 0 1 433.531 5.127 40 0 IKABMN Fc1ccc([C@@H]2COC[C@H]2N(Cc2ccncc2)Cc2ccccc2C(F)(F)F)cc1 ZINC000019348728 556744163 /nfs/dbraw/zinc/74/41/63/556744163.db2.gz ALZCNOPGRICSHV-JTHBVZDNSA-N 0 1 430.445 5.424 40 0 IKABMN O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000019400554 556753220 /nfs/dbraw/zinc/75/32/20/556753220.db2.gz OPUAYHSYFGHNBL-NBGIEHNGSA-N 0 1 427.539 5.010 40 0 IKABMN CC(C)Oc1ccc(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3nccs3)CC2)cc1 ZINC000019450606 556761425 /nfs/dbraw/zinc/76/14/25/556761425.db2.gz JGLPXZVMZOABEA-OAQYLSRUSA-N 0 1 429.630 5.046 40 0 IKABMN CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2Cc2cc(OC)cc(OC)c2)n1 ZINC000019525603 556783118 /nfs/dbraw/zinc/78/31/18/556783118.db2.gz VCITUVJRHXPBAT-XMMPIXPASA-N 0 1 432.568 5.236 40 0 IKABMN COc1cccc(C[N@H+]2CCC[C@@](Cc3ccccc3-c3ccccc3OC)(C(=O)[O-])C2)c1 ZINC000019565007 556805857 /nfs/dbraw/zinc/80/58/57/556805857.db2.gz XYWKOYQXXKUXSB-NDEPHWFRSA-N 0 1 445.559 5.280 40 0 IKABMN Cc1c(CN2CCC([C@H](NC(=O)C(C)(C)C)c3nccs3)CC2)[nH]c2ccc(F)cc12 ZINC000019565477 556806221 /nfs/dbraw/zinc/80/62/21/556806221.db2.gz PPXBKEPZNKWUMH-NRFANRHFSA-N 0 1 442.604 5.188 40 0 IKABMN COc1ccccc1-c1ccccc1C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2F)C1 ZINC000019571711 556811784 /nfs/dbraw/zinc/81/17/84/556811784.db2.gz GZLWUCAYSYUJBO-HHHXNRCGSA-N 0 1 433.523 5.411 40 0 IKABMN O=C(CN1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1)N(c1ccccc1)c1ccccc1 ZINC000004398458 556822484 /nfs/dbraw/zinc/82/24/84/556822484.db2.gz JYAXAJLENRUMRY-UHFFFAOYSA-N 0 1 444.966 5.761 40 0 IKABMN Cc1c(CN2CCC[C@@H]2c2cc(Cc3ccc(C(F)(F)F)cc3)cc(C)n2)cnn1C ZINC000019690877 556846905 /nfs/dbraw/zinc/84/69/05/556846905.db2.gz JPVDFYCOJYINLB-HSZRJFAPSA-N 0 1 428.502 5.379 40 0 IKABMN Cc1c(CN2CCC[C@H]2c2cc(Cc3ccc(C(F)(F)F)cc3)cc(C)n2)cnn1C ZINC000019690876 556846965 /nfs/dbraw/zinc/84/69/65/556846965.db2.gz JPVDFYCOJYINLB-QHCPKHFHSA-N 0 1 428.502 5.379 40 0 IKABMN Cc1nc([C@@H]2CCCN2C2CCCCC2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019695968 556852948 /nfs/dbraw/zinc/85/29/48/556852948.db2.gz NKPRFVSEXVMPFT-DEOSSOPVSA-N 0 1 432.612 5.167 40 0 IKABMN Cc1nc([C@H]2CCCN2C2CCCCCC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019743189 556887615 /nfs/dbraw/zinc/88/76/15/556887615.db2.gz FEPQCMIMYDZVBY-HSZRJFAPSA-N 0 1 436.575 5.263 40 0 IKABMN CC(C)CC(=O)N1CCCC[C@H]1c1nnc(C2CCN(Cc3ccc(Cl)cc3)CC2)o1 ZINC000072344944 556916147 /nfs/dbraw/zinc/91/61/47/556916147.db2.gz BDUIUKBSWOVANS-NRFANRHFSA-N 0 1 445.007 5.202 40 0 IKABMN CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2nc3ccccc3n2C(C)C)C1 ZINC000072352489 556924537 /nfs/dbraw/zinc/92/45/37/556924537.db2.gz KIYUKUXXJUPXHF-QGZVFWFLSA-N 0 1 432.593 5.181 40 0 IKABMN CNc1ncccc1CN1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072358228 556931833 /nfs/dbraw/zinc/93/18/33/556931833.db2.gz IJHJGWNWYKTLTG-JOCHJYFZSA-N 0 1 426.486 5.465 40 0 IKABMN Clc1ccc(-c2nnc(CSc3nc(-c4ccc(Br)cc4)n[nH]3)o2)cc1 ZINC000019927903 556945694 /nfs/dbraw/zinc/94/56/94/556945694.db2.gz VJIKPNMCMGWLMA-UHFFFAOYSA-N 0 1 448.733 5.230 40 0 IKABMN O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)Nc1cccc2ccccc21 ZINC000019927860 556945701 /nfs/dbraw/zinc/94/57/01/556945701.db2.gz WVVTXDBWQURFFI-UHFFFAOYSA-N 0 1 439.338 5.118 40 0 IKABMN Cc1ccc(CC(=O)N2CCC[C@H]2c2ccc3c(n[nH]c3NCc3ccccc3)n2)cc1C ZINC000072374558 556948474 /nfs/dbraw/zinc/94/84/74/556948474.db2.gz KYUWUDDOQWUDSR-DEOSSOPVSA-N 0 1 439.563 5.093 40 0 IKABMN COc1ccc2c(c1)c(CN1CCC[C@@H]1c1cccc(Nc3ncccn3)n1)cn2C(C)C ZINC000072375777 556952969 /nfs/dbraw/zinc/95/29/69/556952969.db2.gz FQRKMDUUBKUSRD-XMMPIXPASA-N 0 1 442.567 5.497 40 0 IKABMN CCn1ncc(CN2CCCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)c1C ZINC000072376646 556955504 /nfs/dbraw/zinc/95/55/04/556955504.db2.gz NOUSDTGPGZYFKY-QFIPXVFZSA-N 0 1 439.007 5.115 40 0 IKABMN CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2Cc2cccc(OC)c2OC)n1 ZINC000072390678 556961249 /nfs/dbraw/zinc/96/12/49/556961249.db2.gz FXGDUJBXQSZRNJ-JOCHJYFZSA-N 0 1 432.568 5.236 40 0 IKABMN Cc1cc(CSc2ccccc2)ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000409176853 556995119 /nfs/dbraw/zinc/99/51/19/556995119.db2.gz ZKEXUMITSSKHLX-UHFFFAOYSA-N 0 1 438.401 6.395 40 0 IKABMN Cc1nnc(SCc2ccc(NC(=O)c3ccc(-c4ccc(F)c(Cl)c4)o3)cc2)[nH]1 ZINC000020293622 557006043 /nfs/dbraw/zinc/00/60/43/557006043.db2.gz PAOWGPVCWNLRPB-UHFFFAOYSA-N 0 1 442.903 5.710 40 0 IKABMN Cc1n[nH]c(SCc2ccc(NC(=O)c3ccc(-c4ccc(F)c(Cl)c4)o3)cc2)n1 ZINC000020293622 557006045 /nfs/dbraw/zinc/00/60/45/557006045.db2.gz PAOWGPVCWNLRPB-UHFFFAOYSA-N 0 1 442.903 5.710 40 0 IKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc2Cl)cc1 ZINC000408547829 557035066 /nfs/dbraw/zinc/03/50/66/557035066.db2.gz NMLYCFDGGRBEPN-UHFFFAOYSA-N 0 1 442.968 5.627 40 0 IKABMN O=C(CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1)Nc1ccc(Cl)cc1Cl ZINC000409270829 557042812 /nfs/dbraw/zinc/04/28/12/557042812.db2.gz BAKIEUSWCJVXFS-UHFFFAOYSA-N 0 1 448.162 5.816 40 0 IKABMN O=c1nc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)[nH]c2sc3c(c21)CCCC3 ZINC000408582288 557044782 /nfs/dbraw/zinc/04/47/82/557044782.db2.gz MTRPYACSFVIYHE-UHFFFAOYSA-N 0 1 429.958 5.007 40 0 IKABMN O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)[nH]1)Nc1ccc(Cl)c(Cl)c1 ZINC000408581248 557044918 /nfs/dbraw/zinc/04/49/18/557044918.db2.gz HWGAAIQNUXKHNA-UHFFFAOYSA-N 0 1 437.396 5.310 40 0 IKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC3CCCCCCC3)ccc2Cl)c1 ZINC000408618001 557074837 /nfs/dbraw/zinc/07/48/37/557074837.db2.gz IOFJQBDDRLUJRK-UHFFFAOYSA-N 0 1 434.989 5.292 40 0 IKABMN Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1C ZINC000409382302 557091117 /nfs/dbraw/zinc/09/11/17/557091117.db2.gz RKQFJBUVXAPGNM-UHFFFAOYSA-N 0 1 442.968 5.627 40 0 IKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccccc3)ccc2Cl)cc1C ZINC000409381874 557091187 /nfs/dbraw/zinc/09/11/87/557091187.db2.gz OKEPISRXGSRBOU-KRWDZBQOSA-N 0 1 442.968 5.249 40 0 IKABMN CCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 ZINC000409382627 557091454 /nfs/dbraw/zinc/09/14/54/557091454.db2.gz VRQDDAMTEHQLAU-UHFFFAOYSA-N 0 1 444.940 5.100 40 0 IKABMN Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)c1 ZINC000409380555 557094887 /nfs/dbraw/zinc/09/48/87/557094887.db2.gz GUQBWBBWPHCTRN-UHFFFAOYSA-N 0 1 428.941 5.318 40 0 IKABMN COc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c1 ZINC000409380854 557095137 /nfs/dbraw/zinc/09/51/37/557095137.db2.gz JALNCDSAXJLZGC-UHFFFAOYSA-N 0 1 444.940 5.019 40 0 IKABMN O=C(CSc1nc2ccc(Br)cc2[nH]1)Nc1cccc(C(F)(F)F)c1 ZINC000020765288 557127538 /nfs/dbraw/zinc/12/75/38/557127538.db2.gz JCYSGPYPXUNQOT-UHFFFAOYSA-N 0 1 430.249 5.075 40 0 IKABMN O=C(CSc1nc2ccc(Br)cc2[nH]1)Nc1cccc(Cl)c1Cl ZINC000020765263 557127567 /nfs/dbraw/zinc/12/75/67/557127567.db2.gz NXALOCDYEUFXGP-UHFFFAOYSA-N 0 1 431.142 5.363 40 0 IKABMN CC(=O)Oc1ccc2ccccc2c1CN(C)Cc1cc(Cl)cc(C)c1OC(C)=O ZINC000090760123 557136495 /nfs/dbraw/zinc/13/64/95/557136495.db2.gz IQIHMIJDTITJQK-UHFFFAOYSA-N 0 1 425.912 5.284 40 0 IKABMN CCCCOc1ccc([C@@H]2CC(=Nc3cccc(C)c3)C(=O)N2c2cccc(C)c2)cc1 ZINC000103758317 557139878 /nfs/dbraw/zinc/13/98/78/557139878.db2.gz QMPUSDLOWCVCTC-MHZLTWQESA-N 0 1 426.560 6.566 40 0 IKABMN CCSc1ccc(NC2=C[C@@H](c3ccccc3)N(c3ccc(SCC)cc3)C2=O)cc1 ZINC000103753831 557139939 /nfs/dbraw/zinc/13/99/39/557139939.db2.gz ZXXNZORTFYWLJF-VWLOTQADSA-N 0 1 446.641 6.995 40 0 IKABMN CCc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000409383981 557141665 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CCn1c2ccccc2c2cc(NS(=O)(=O)c3cc4c(cc3OC)CCCC4)ccc21 ZINC000223970674 557536684 /nfs/dbraw/zinc/53/66/84/557536684.db2.gz KELZZDCCGXJIIE-UHFFFAOYSA-N 0 1 434.561 5.503 40 0 IKABMN COc1cc2c(cc1S(=O)(=O)Nc1ccc(CSc3ccccc3)cc1)CCCC2 ZINC000224396957 557601571 /nfs/dbraw/zinc/60/15/71/557601571.db2.gz LYGPZOKCVIZXLG-UHFFFAOYSA-N 0 1 439.602 5.667 40 0 IKABMN CC(C)(C)c1ccc(OCCNC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000224533468 557617588 /nfs/dbraw/zinc/61/75/88/557617588.db2.gz JGQVDJOAZGYDNX-UHFFFAOYSA-N 0 1 429.004 5.045 40 0 IKABMN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000224709470 557643169 /nfs/dbraw/zinc/64/31/69/557643169.db2.gz VFAJZODLJVPORX-UHFFFAOYSA-N 0 1 447.391 5.363 40 0 IKABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C)cc2Cl)cc1 ZINC000224997357 557675356 /nfs/dbraw/zinc/67/53/56/557675356.db2.gz LWOBLLKYJQIELH-UHFFFAOYSA-N 0 1 444.940 5.019 40 0 IKABMN Cc1ccc2nc(-c3ccc(C(=O)Nc4ccccc4Sc4ccccc4)cc3)[nH]c2c1 ZINC000225264051 557706656 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O=S(=O)(Nc1cc(C(F)(F)F)ccc1C(F)(F)F)c1ccc(Br)cc1 ZINC000228954001 569182305 /nfs/dbraw/zinc/18/23/05/569182305.db2.gz BIZCSKMWEFSXBI-UHFFFAOYSA-N 0 1 448.182 5.288 40 0 IKABMN O=C(Nc1ccc(Br)c(Cl)c1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000009063434 569219946 /nfs/dbraw/zinc/21/99/46/569219946.db2.gz LHDSAZWLDOYNST-UHFFFAOYSA-N 0 1 442.184 5.607 40 0 IKABMN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000009063399 569219963 /nfs/dbraw/zinc/21/99/63/569219963.db2.gz NREOWXWRDPVMDN-UHFFFAOYSA-N 0 1 431.285 5.863 40 0 IKABMN COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)c3nc4ccc(F)cc4[nH]3)c2)cc1 ZINC000019690657 569227543 /nfs/dbraw/zinc/22/75/43/569227543.db2.gz QCHMHRGXAIOTJK-QHCPKHFHSA-N 0 1 430.483 5.058 40 0 IKABMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1c(C)cc(C)cc1C ZINC000033460224 569244128 /nfs/dbraw/zinc/24/41/28/569244128.db2.gz OPUZXZMNBRBMBA-CIAFOILYSA-N 0 1 431.492 5.115 40 0 IKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2Cl)c1 ZINC000033715227 569246056 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/nfs/dbraw/zinc/75/65/94/556756594.db2.gz UOMNFVXHYGIZJS-HSZRJFAPSA-N 0 1 449.341 5.873 40 0 IKABMN C[C@H](Cc1cccs1)C(=O)N1CCC(c2nc3ccc(F)cn3c2NC(C)(C)C)CC1 ZINC000019457128 556765874 /nfs/dbraw/zinc/76/58/74/556765874.db2.gz QDLZMQBAZWKAQL-MRXNPFEDSA-N 0 1 442.604 5.330 40 0 IKABMN CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2Cc2ccc(OC)c(OC)c2)n1 ZINC000019525605 556783286 /nfs/dbraw/zinc/78/32/86/556783286.db2.gz MHZYQRMVNLSUOL-JOCHJYFZSA-N 0 1 432.568 5.236 40 0 IKABMN COc1ccccc1C[N@H+]1CCC[C@@](Cc2ccccc2-c2ccccc2OC)(C(=O)[O-])C1 ZINC000019570192 556810128 /nfs/dbraw/zinc/81/01/28/556810128.db2.gz WZELOOSITYWRTI-NDEPHWFRSA-N 0 1 445.559 5.280 40 0 IKABMN COc1ccc([C@@H]2C=C(Nc3ccc(Cl)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000007059309 556840836 /nfs/dbraw/zinc/84/08/36/556840836.db2.gz BAZZPSFUODTXCF-QFIPXVFZSA-N 0 1 425.315 6.086 40 0 IKABMN CCn1cc(CN2CCC[C@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)c(C)n1 ZINC000019688348 556843226 /nfs/dbraw/zinc/84/32/26/556843226.db2.gz KZKWDZNWFQYCGP-QHCPKHFHSA-N 0 1 428.502 5.553 40 0 IKABMN Cc1nn(C)cc1CN1CCC[C@H]1c1cc(Cc2ccc(C(F)(F)F)cc2)cc(C)n1 ZINC000019690870 556846823 /nfs/dbraw/zinc/84/68/23/556846823.db2.gz CMTLYJZBWDIATH-QHCPKHFHSA-N 0 1 428.502 5.379 40 0 IKABMN Cc1nc([C@H]2CCCCN2C2CCCCC2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000019743112 556887448 /nfs/dbraw/zinc/88/74/48/556887448.db2.gz PUWFKKHSCBOYDX-XMMPIXPASA-N 0 1 432.612 5.167 40 0 IKABMN Cc1nc([C@@H]2CCCN2C2CCCCCC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019743187 556887722 /nfs/dbraw/zinc/88/77/22/556887722.db2.gz FEPQCMIMYDZVBY-QHCPKHFHSA-N 0 1 436.575 5.263 40 0 IKABMN O=C(Nc1nccs1)c1cc([C@@H]2CN(C3CCCCCC3)CCO2)nc2ccccc21 ZINC000019754920 556898083 /nfs/dbraw/zinc/89/80/83/556898083.db2.gz WWLLNTMULYQURW-QFIPXVFZSA-N 0 1 436.581 5.040 40 0 IKABMN C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+]([C@H](C(=O)[O-])c1c[nH]c3cc(NC(=O)c4ccccc4)ccc31)C2 ZINC000036357921 556902403 /nfs/dbraw/zinc/90/24/03/556902403.db2.gz MWHQGYKRJHROFV-VQEMNGCCSA-N 0 1 445.563 5.447 40 0 IKABMN O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2F)C1 ZINC000072330452 556905722 /nfs/dbraw/zinc/90/57/22/556905722.db2.gz UPNOWJXQNJEUJY-NLFFAJNJSA-N 0 1 427.539 5.010 40 0 IKABMN Cc1cccc(Nc2ccc([C@H]3CCCN3Cc3cc4ccccc4nc3N(C)C)nc2)n1 ZINC000072353095 556925380 /nfs/dbraw/zinc/92/53/80/556925380.db2.gz SMQHXNSFIJWGBC-RUZDIDTESA-N 0 1 438.579 5.480 40 0 IKABMN Cc1cc(-c2cncnc2)cc([C@H]2CCCN(Cc3nc4ccccc4n3C(C)C)C2)n1 ZINC000072353670 556927717 /nfs/dbraw/zinc/92/77/17/556927717.db2.gz YWKNROIRKRMSAS-FQEVSTJZSA-N 0 1 426.568 5.157 40 0 IKABMN O=C(c1ccc2c(c1)CCCC2)N1CC[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000072371612 556939789 /nfs/dbraw/zinc/93/97/89/556939789.db2.gz RRCJLJRHAYZUNZ-NRFANRHFSA-N 0 1 449.982 5.193 40 0 IKABMN O=C(c1ccc2c(c1)CCCC2)N1CC[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000072371611 556939814 /nfs/dbraw/zinc/93/98/14/556939814.db2.gz RRCJLJRHAYZUNZ-OAQYLSRUSA-N 0 1 449.982 5.193 40 0 IKABMN O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)Nc1ccc2ccccc2c1 ZINC000019927787 556945354 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CCOc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1NC(=O)CC ZINC000408698933 557112578 /nfs/dbraw/zinc/11/25/78/557112578.db2.gz TYKJXWSQMYXESB-UHFFFAOYSA-N 0 1 440.521 5.027 40 0 IKABMN O=C(CSc1nc2ccc(Br)cc2[nH]1)Nc1cc(Cl)ccc1Cl ZINC000020765275 557127744 /nfs/dbraw/zinc/12/77/44/557127744.db2.gz LWQPOMSZHCINED-UHFFFAOYSA-N 0 1 431.142 5.363 40 0 IKABMN CC(C)(C)c1ccc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000102752408 557132124 /nfs/dbraw/zinc/13/21/24/557132124.db2.gz FEXTXOKTCVPOFJ-TZRRMPRUSA-N 0 1 444.506 5.174 40 0 IKABMN CC(C)(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102752408 557132127 /nfs/dbraw/zinc/13/21/27/557132127.db2.gz FEXTXOKTCVPOFJ-TZRRMPRUSA-N 0 1 444.506 5.174 40 0 IKABMN Cc1ccc(-c2[nH][nH]c(=O)c2C(c2cccs2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409368157 557138172 /nfs/dbraw/zinc/13/81/72/557138172.db2.gz NQZYRHGKLWKHOF-UHFFFAOYSA-N 0 1 442.544 5.737 40 0 IKABMN Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1 ZINC000216050756 557138981 /nfs/dbraw/zinc/13/89/81/557138981.db2.gz IMBXBVKJHHBSEQ-UHFFFAOYSA-N 0 1 427.744 5.471 40 0 IKABMN Cc1ccc(N=C2C[C@@H](c3ccc(F)cc3)N(c3ccc(C)c(Cl)c3)C2=O)cc1Cl ZINC000103764485 557139858 /nfs/dbraw/zinc/13/98/58/557139858.db2.gz NZTAJQITXZDQBZ-QHCPKHFHSA-N 0 1 441.333 6.833 40 0 IKABMN CCSc1ccc(NC2=C[C@H](c3ccccc3)N(c3ccc(SCC)cc3)C2=O)cc1 ZINC000103753828 557139890 /nfs/dbraw/zinc/13/98/90/557139890.db2.gz ZXXNZORTFYWLJF-RUZDIDTESA-N 0 1 446.641 6.995 40 0 IKABMN Cc1ccc([C@@H]2C=C(Nc3ccc(C)c(Cl)c3)C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000103764439 557139999 /nfs/dbraw/zinc/13/99/99/557139999.db2.gz HHLNZTCUJCWUDB-DEOSSOPVSA-N 0 1 437.370 7.003 40 0 IKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2Cl)cc1 ZINC000409380772 557140669 /nfs/dbraw/zinc/14/06/69/557140669.db2.gz HYWQWYPFHBVWBG-UHFFFAOYSA-N 0 1 428.941 5.318 40 0 IKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C)ccc3C)ccc2Cl)c1 ZINC000409381847 557140945 /nfs/dbraw/zinc/14/09/45/557140945.db2.gz OGMHHAWMBKBREH-UHFFFAOYSA-N 0 1 428.941 5.318 40 0 IKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C)ccc3C)ccc2Cl)c(C)c1 ZINC000409381770 557141084 /nfs/dbraw/zinc/14/10/84/557141084.db2.gz NGRWFIADPUJAHJ-UHFFFAOYSA-N 0 1 442.968 5.627 40 0 IKABMN Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c1 ZINC000409382249 557141303 /nfs/dbraw/zinc/14/13/03/557141303.db2.gz QKAIJEIUYOQPTM-UHFFFAOYSA-N 0 1 428.941 5.318 40 0 IKABMN COc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)c1 ZINC000409383946 557141650 /nfs/dbraw/zinc/14/16/50/557141650.db2.gz QUOHBCUUAHYQIY-UHFFFAOYSA-N 0 1 444.940 5.019 40 0 IKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2Cl)cc1C ZINC000409383728 557141771 /nfs/dbraw/zinc/14/17/71/557141771.db2.gz CUFVOXOFULTMKT-UHFFFAOYSA-N 0 1 449.359 5.663 40 0 IKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC3=CCCCC3)ccc2Cl)cc1 ZINC000409412021 557145962 /nfs/dbraw/zinc/14/59/62/557145962.db2.gz PYKUGNYGNMPTBK-UHFFFAOYSA-N 0 1 432.973 5.070 40 0 IKABMN CC[C@H]1CCCC[N@H+]1C[C@H](C(C)=O)[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000025586048 557217503 /nfs/dbraw/zinc/21/75/03/557217503.db2.gz NMNHSZRPCOBOLX-BGWNEDDSSA-N 0 1 433.548 5.100 40 0 IKABMN CC(C)(C)C(=O)N[C@H](C[C@@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000057774793 557264298 /nfs/dbraw/zinc/26/42/98/557264298.db2.gz MUQTZNFKVHLTEF-PGRDOPGGSA-N 0 1 448.438 6.037 40 0 IKABMN C[C@H](C(=O)Nc1cccc2ccccc21)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022920637 557273186 /nfs/dbraw/zinc/27/31/86/557273186.db2.gz IHLPSSABOMNBIL-HSZRJFAPSA-N 0 1 449.598 5.574 40 0 IKABMN Cc1ccc2cc(C[N@H+]([C@H](c3nnnn3C3CCCC3)C(C)C)C3CCCC3)c(=O)[nH]c2c1 ZINC000013498515 557328155 /nfs/dbraw/zinc/32/81/55/557328155.db2.gz JCZWISKIPZMNGV-DEOSSOPVSA-N 0 1 448.615 5.080 40 0 IKABMN Cc1ccc2cc(CN([C@H](c3nnnn3C3CCCC3)C(C)C)C3CCCC3)c(=O)[nH]c2c1 ZINC000013498515 557328158 /nfs/dbraw/zinc/32/81/58/557328158.db2.gz JCZWISKIPZMNGV-DEOSSOPVSA-N 0 1 448.615 5.080 40 0 IKABMN Cc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNCc4cccs4)cc23)cc1 ZINC000013564699 557341041 /nfs/dbraw/zinc/34/10/41/557341041.db2.gz VFCRONAERGLHBK-UHFFFAOYSA-N 0 1 426.545 5.041 40 0 IKABMN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3)ccc2Cl)c1 ZINC000014153814 557424130 /nfs/dbraw/zinc/42/41/30/557424130.db2.gz KWCNGWSFMIRGMG-UHFFFAOYSA-N 0 1 432.904 5.149 40 0 IKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2Cl)cc1 ZINC000014154822 557426466 /nfs/dbraw/zinc/42/64/66/557426466.db2.gz RYAZARAYHSDZMX-UHFFFAOYSA-N 0 1 449.359 5.663 40 0 IKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3)ccc2Cl)cc1C ZINC000014155390 557427224 /nfs/dbraw/zinc/42/72/24/557427224.db2.gz YBHKYLQFWVPYFK-UHFFFAOYSA-N 0 1 432.904 5.149 40 0 IKABMN CSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000014155740 557427379 /nfs/dbraw/zinc/42/73/79/557427379.db2.gz SITRWPGIFGEOEM-UHFFFAOYSA-N 0 1 446.981 5.423 40 0 IKABMN O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000014270344 557429731 /nfs/dbraw/zinc/42/97/31/557429731.db2.gz GSZIUOFNABLECH-UHFFFAOYSA-N 0 1 441.723 5.739 40 0 IKABMN 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ZINC000035144455 555897219 /nfs/dbraw/zinc/89/72/19/555897219.db2.gz HFKFWHZDVDHSFE-PXLXIMEGSA-N 0 1 429.545 5.328 40 0 IKABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NC3CCCCCCC3)ccc2Cl)c1 ZINC000408627536 555998310 /nfs/dbraw/zinc/99/83/10/555998310.db2.gz NYMSJZUUGFOVFK-UHFFFAOYSA-N 0 1 449.016 5.600 40 0 IKABMN C[C@@]12CC[C@@H]3c4cc(Br)c(O)c(Br)c4CC[C@@H]3[C@@H]1CC[C@@H]2O ZINC000004946192 556023110 /nfs/dbraw/zinc/02/31/10/556023110.db2.gz UTXNYGUZJLLOSP-PQXUGLKDSA-N 0 1 430.180 5.134 40 0 IKABMN c1ccc(-c2n[nH]c(-c3n[nH]c(-c4ccccc4)c3-c3ccccc3)c2-c2ccccc2)cc1 ZINC000005479262 556055940 /nfs/dbraw/zinc/05/59/40/556055940.db2.gz LSUKZIRRGHNFGW-UHFFFAOYSA-N 0 1 438.534 7.468 40 0 IKABMN CC(C)(C)c1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(Cl)cc3Cl)n2)cc1 ZINC000009199464 556257019 /nfs/dbraw/zinc/25/70/19/556257019.db2.gz FUWZKSWPBXDLJJ-UHFFFAOYSA-N 0 1 435.380 5.807 40 0 IKABMN O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000039763177 556436638 /nfs/dbraw/zinc/43/66/38/556436638.db2.gz 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Cc1ccc2nc(Sc3ccc(C=C4SC(=O)N(c5ccccc5)C4=O)o3)[nH]c2c1 ZINC000408967719 556576445 /nfs/dbraw/zinc/57/64/45/556576445.db2.gz XEIPBLDPHCDVSP-LDADJPATSA-N 0 1 433.514 5.856 40 0 IKABMN COc1cc(CNCc2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000016195499 556589828 /nfs/dbraw/zinc/58/98/28/556589828.db2.gz AETPPBBSWACHPU-UHFFFAOYSA-N 0 1 446.330 5.600 40 0 IKABMN Cc1sc(N2CCCCC2)nc1-c1cc(Br)cc(Br)c1O ZINC000016265048 556595372 /nfs/dbraw/zinc/59/53/72/556595372.db2.gz AVECHZCBBDVFJJ-UHFFFAOYSA-N 0 1 432.181 5.339 40 0 IKABMN CC[C@@H]1c2c(cc(OC)c(O)c2Oc2cc3c(cc2OC)CC[NH+](C)[C@H]3CC)CC[N@H+]1C ZINC000036490801 556598143 /nfs/dbraw/zinc/59/81/43/556598143.db2.gz BOXBKGGQZPGMRE-VQTJNVASSA-N 0 1 440.584 5.080 40 0 IKABMN Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000100914565 556602285 /nfs/dbraw/zinc/60/22/85/556602285.db2.gz FWPXXWJCAFWHHE-VABKMULXSA-N 0 1 432.907 5.008 40 0 IKABMN Fc1ccc(COc2ccc(Br)cc2CNCc2ccc3c(c2)OCO3)cc1 ZINC000016401817 556605952 /nfs/dbraw/zinc/60/59/52/556605952.db2.gz VZGJVXPESCIMAP-UHFFFAOYSA-N 0 1 444.300 5.186 40 0 IKABMN Fc1ccc(CNCc2cc(Br)ccc2OCc2ccccc2Cl)cc1 ZINC000016450011 556609210 /nfs/dbraw/zinc/60/92/10/556609210.db2.gz UYRQJPVUSRVWKO-UHFFFAOYSA-N 0 1 434.736 6.110 40 0 IKABMN O=C(C[C@H](c1ccccc1)N1CCN(c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000016477262 556610948 /nfs/dbraw/zinc/61/09/48/556610948.db2.gz NPZVVFHZLFFBBW-XMMPIXPASA-N 0 1 449.392 5.585 40 0 IKABMN O=C([C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1)N1CCC(Cc2ccccc2)CC1 ZINC000038850876 556624633 /nfs/dbraw/zinc/62/46/33/556624633.db2.gz GMJXPSMYSBYWKP-NRFANRHFSA-N 0 1 445.434 5.687 40 0 IKABMN CCOc1cc(CNCc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000016688473 556626291 /nfs/dbraw/zinc/62/62/91/556626291.db2.gz XTYSMZVHHBLYBD-UHFFFAOYSA-N 0 1 434.338 6.400 40 0 IKABMN CCOc1cc(CNCc2ccc(F)cc2)cc(Br)c1OCc1ccccc1 ZINC000016688620 556626673 /nfs/dbraw/zinc/62/66/73/556626673.db2.gz MNPAEKSYNPKIIU-UHFFFAOYSA-N 0 1 444.344 5.856 40 0 IKABMN CCOC(=O)C1C(C)=Nc2nc3c(c(N)c2[C@@H]1c1ccc(-c2ccccc2)cc1)CCCC3 ZINC000040422630 556643683 /nfs/dbraw/zinc/64/36/83/556643683.db2.gz ZRWLPNPYQIGISH-XMMPIXPASA-N 0 1 439.559 5.604 40 0 IKABMN O=C(NC(=Cc1cc(Cl)ccc1Cl)c1nc2ccc(Cl)cc2[nH]1)c1ccccc1 ZINC000016953087 556650171 /nfs/dbraw/zinc/65/01/71/556650171.db2.gz LHWCSOURZKUQKJ-RGVLZGJSSA-N 0 1 442.733 6.451 40 0 IKABMN Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)c(C)c1 ZINC000044848405 556669942 /nfs/dbraw/zinc/66/99/42/556669942.db2.gz UOVLOPKCPNPYIN-KRWDZBQOSA-N 0 1 442.968 5.249 40 0 IKABMN Cc1ccc2c(c1)[C@@H](NC(=O)C1CCN(Cc3ccc(Cl)cc3)CC1)CC(C)(C)O2 ZINC000044855232 556671343 /nfs/dbraw/zinc/67/13/43/556671343.db2.gz IFCLWMMMNKJXTD-QFIPXVFZSA-N 0 1 426.988 5.279 40 0 IKABMN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000044855382 556671667 /nfs/dbraw/zinc/67/16/67/556671667.db2.gz OMNAIQQFOBJBFM-JOCHJYFZSA-N 0 1 426.988 5.279 40 0 IKABMN COc1ccc([C@H](CC(C)C)NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000044937253 556682946 /nfs/dbraw/zinc/68/29/46/556682946.db2.gz IKZSOYVYYUCQHO-DEOSSOPVSA-N 0 1 429.004 5.464 40 0 IKABMN CCOC(=O)c1cc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)ccc1Cl ZINC000044939640 556683237 /nfs/dbraw/zinc/68/32/37/556683237.db2.gz VOIIRIVDTZZZCB-UHFFFAOYSA-N 0 1 435.351 5.021 40 0 IKABMN CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1Cl ZINC000044939869 556683281 /nfs/dbraw/zinc/68/32/81/556683281.db2.gz IWKZWRLSJMMOMU-UHFFFAOYSA-N 0 1 435.351 5.021 40 0 IKABMN CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1Cl ZINC000044939866 556683387 /nfs/dbraw/zinc/68/33/87/556683387.db2.gz ICDPFOSJGRQJPJ-UHFFFAOYSA-N 0 1 435.351 5.021 40 0 IKABMN Brc1ccc(Cc2nc3cc(Br)cc(Br)c3[nH]2)cc1 ZINC000226342887 556684478 /nfs/dbraw/zinc/68/44/78/556684478.db2.gz MJWKAAFIKGYICT-UHFFFAOYSA-N 0 1 444.952 5.441 40 0 IKABMN Brc1cccc(-c2nc3cc(Br)cc(Br)c3[nH]2)c1 ZINC000226343095 556684504 /nfs/dbraw/zinc/68/45/04/556684504.db2.gz MWGAMUDSKDGVCC-UHFFFAOYSA-N 0 1 430.925 5.517 40 0 IKABMN C=C1N=C(SCc2ccccc2)N[C@@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000408985184 556686615 /nfs/dbraw/zinc/68/66/15/556686615.db2.gz ADDCNVXGJWPXIT-IBGZPJMESA-N 0 1 445.382 5.220 40 0 IKABMN CC(C)C(=O)N[C@H](c1nccs1)[C@@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1 ZINC000019086158 556699586 /nfs/dbraw/zinc/69/95/86/556699586.db2.gz WYNPGCHGDZSXER-OFNKIYASSA-N 0 1 441.641 5.190 40 0 IKABMN CC(C)C(=O)N[C@H](c1nccs1)[C@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1 ZINC000019086163 556699632 /nfs/dbraw/zinc/69/96/32/556699632.db2.gz WYNPGCHGDZSXER-REWPJTCUSA-N 0 1 441.641 5.190 40 0 IKABMN Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000019236816 556721592 /nfs/dbraw/zinc/72/15/92/556721592.db2.gz ADGJBNCZRZMHMZ-NBGIEHNGSA-N 0 1 435.518 5.052 40 0 IKABMN O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccc(F)c(F)c3)CC[C@@H]21 ZINC000019368998 556746794 /nfs/dbraw/zinc/74/67/94/556746794.db2.gz LXJONGLJLBGLCA-HFMPRLQTSA-N 0 1 438.543 5.157 40 0 IKABMN Fc1cccc(Nc2cc(-c3cccnc3)nc(C3CCN(Cc4ccccn4)CC3)n2)c1 ZINC000019401571 556753831 /nfs/dbraw/zinc/75/38/31/556753831.db2.gz XJUNIWAOUPKZIG-UHFFFAOYSA-N 0 1 440.526 5.196 40 0 IKABMN CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2Cc2cc(OC)cc(OC)c2)n1 ZINC000019525602 556783070 /nfs/dbraw/zinc/78/30/70/556783070.db2.gz VCITUVJRHXPBAT-DEOSSOPVSA-N 0 1 432.568 5.236 40 0 IKABMN COc1ccc([C@H]2C=C(Nc3ccc(Cl)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000007059993 556840928 /nfs/dbraw/zinc/84/09/28/556840928.db2.gz BAZZPSFUODTXCF-JOCHJYFZSA-N 0 1 425.315 6.086 40 0 IKABMN Cc1cc(Cc2ccccc2C)cc([C@@H]2CCCN2C(=O)c2nc3ccc(F)cc3[nH]2)n1 ZINC000019692077 556848263 /nfs/dbraw/zinc/84/82/63/556848263.db2.gz UQNGGBUVYVJQRE-DEOSSOPVSA-N 0 1 428.511 5.282 40 0 IKABMN Cc1nc([C@H]2CCCN2C2CCCCC2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019695969 556852958 /nfs/dbraw/zinc/85/29/58/556852958.db2.gz NKPRFVSEXVMPFT-XMMPIXPASA-N 0 1 432.612 5.167 40 0 IKABMN Cc1c(Cl)cccc1NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000408860679 556872448 /nfs/dbraw/zinc/87/24/48/556872448.db2.gz BOPJYFHVCRNAPX-UHFFFAOYSA-N 0 1 433.983 5.219 40 0 IKABMN Cc1cc(Cl)ccc1NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000408863007 556872736 /nfs/dbraw/zinc/87/27/36/556872736.db2.gz KFQOELCNRWQUJE-UHFFFAOYSA-N 0 1 433.983 5.219 40 0 IKABMN CC(C)Nc1[nH]nc2nc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)cc(C(F)(F)F)c21 ZINC000019742330 556886189 /nfs/dbraw/zinc/88/61/89/556886189.db2.gz QUYPKKFWZMSKBM-OAHLLOKOSA-N 0 1 437.510 5.083 40 0 IKABMN O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000072330447 556905765 /nfs/dbraw/zinc/90/57/65/556905765.db2.gz OPUAYHSYFGHNBL-CPJSRVTESA-N 0 1 427.539 5.010 40 0 IKABMN C=C1N=C(SCc2ccc(Cl)cc2)N[C@@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408989724 556910898 /nfs/dbraw/zinc/91/08/98/556910898.db2.gz LSYDXXZIWQHSEO-NRFANRHFSA-N 0 1 444.984 5.510 40 0 IKABMN CC(C)Oc1cccc(CN2CCC[C@@H]([C@H](NC(=O)C3CCCC3)c3nccs3)C2)c1 ZINC000072341433 556913589 /nfs/dbraw/zinc/91/35/89/556913589.db2.gz LRWDIRNFKZDFFZ-GGAORHGYSA-N 0 1 441.641 5.190 40 0 IKABMN CC(C)Oc1cccc(CN2CCC[C@H]([C@H](NC(=O)C3CCCC3)c3nccs3)C2)c1 ZINC000072341432 556913643 /nfs/dbraw/zinc/91/36/43/556913643.db2.gz LRWDIRNFKZDFFZ-GMAHTHKFSA-N 0 1 441.641 5.190 40 0 IKABMN Clc1ccc(-c2nnc(CSc3nc(-c4ccccc4Cl)n[nH]3)o2)c(Cl)c1 ZINC000019928231 556946093 /nfs/dbraw/zinc/94/60/93/556946093.db2.gz RTRJINJEZAUEDH-UHFFFAOYSA-N 0 1 438.727 5.774 40 0 IKABMN CCn1ncc(CN2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)c1C ZINC000072376645 556955410 /nfs/dbraw/zinc/95/54/10/556955410.db2.gz NOUSDTGPGZYFKY-JOCHJYFZSA-N 0 1 439.007 5.115 40 0 IKABMN CN(CCCC(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccc(Cl)cc2)C1)c1ccccc1 ZINC000072380424 556958116 /nfs/dbraw/zinc/95/81/16/556958116.db2.gz UXLDERHBGKTJIR-HXUWFJFHSA-N 0 1 436.987 5.353 40 0 IKABMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)ccc1Cl ZINC000020112133 556986616 /nfs/dbraw/zinc/98/66/16/556986616.db2.gz NHRFNFMHNQDNRZ-OAHLLOKOSA-N 0 1 446.931 5.079 40 0 IKABMN CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1)c1ccccc1 ZINC000020112630 556986889 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/nfs/dbraw/zinc/80/89/55/557808955.db2.gz TXJFFXZDGHRXGK-UHFFFAOYSA-N 0 1 443.743 5.171 40 0 IKABMN Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1C ZINC000033636393 557809563 /nfs/dbraw/zinc/80/95/63/557809563.db2.gz BKJCKFFBHAKJGN-UHFFFAOYSA-N 0 1 442.968 5.627 40 0 IKABMN Cn1nc(C2CCCC2)cc1[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CN(Cc1ccco1)Cc1ccco1 ZINC000039560666 565110813 /nfs/dbraw/zinc/11/08/13/565110813.db2.gz NHPJOVMUYQOGDM-FBLLAGFSSA-N 0 1 448.611 5.144 40 0 biogenic,in-vitro IKABMN Cn1nc(C2CCCC2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CN(Cc1ccco1)Cc1ccco1 ZINC000039560666 565110824 /nfs/dbraw/zinc/11/08/24/565110824.db2.gz NHPJOVMUYQOGDM-FBLLAGFSSA-N 0 1 448.611 5.144 40 0 biogenic,in-vitro IKABMN c1ccc(CN2CCN(c3nc(-c4ccccc4)nc4nc(-c5ccccc5)oc43)CC2)cc1 ZINC000027985972 568819385 /nfs/dbraw/zinc/81/93/85/568819385.db2.gz PCTUPYDYBATIJY-UHFFFAOYSA-N 0 1 447.542 5.274 40 0 IKABMN O=C(CN(c1n[nH]c(=S)s1)c1ccccc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000016768764 569161490 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Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C)ccc3C)ccc2Cl)cc1 ZINC000033619263 569244963 /nfs/dbraw/zinc/24/49/63/569244963.db2.gz KDPFVEJPGKZNJT-UHFFFAOYSA-N 0 1 428.941 5.318 40 0 IKABMN Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)cc1C ZINC000033618404 569244968 /nfs/dbraw/zinc/24/49/68/569244968.db2.gz VLLUAPCQXOOSND-UHFFFAOYSA-N 0 1 428.941 5.318 40 0 IKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2Cl)cc1 ZINC000033625164 569245120 /nfs/dbraw/zinc/24/51/20/569245120.db2.gz LRYSTUYIZCMARZ-UHFFFAOYSA-N 0 1 428.941 5.318 40 0 IKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)cc3C)ccc2Cl)c1 ZINC000033649270 569245397 /nfs/dbraw/zinc/24/53/97/569245397.db2.gz GJGALCYHQANREG-UHFFFAOYSA-N 0 1 428.941 5.318 40 0 IKABMN CCc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000033694644 569245825 /nfs/dbraw/zinc/24/58/25/569245825.db2.gz MPDYELRIKBKBAA-UHFFFAOYSA-N 0 1 428.941 5.264 40 0 IKABMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccccc1C(C)C ZINC000033777630 569246725 /nfs/dbraw/zinc/24/67/25/569246725.db2.gz MUYBBKGQIIFMRH-FYJGNVAPSA-N 0 1 431.492 5.313 40 0 IKABMN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1NS(=O)(=O)c1ccccc1 ZINC000107660818 569250848 /nfs/dbraw/zinc/25/08/48/569250848.db2.gz IYOONMUQXXGBFU-UHFFFAOYSA-N 0 1 444.512 5.532 40 0 IKABMN O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)[nH]1)Nc1ccccc1C(F)(F)F ZINC000253571825 569273211 /nfs/dbraw/zinc/27/32/11/569273211.db2.gz PLEMUHRAVWBHPK-UHFFFAOYSA-N 0 1 436.503 5.022 40 0 IKABMN O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)[nH]1)Nc1cccc(Cl)c1Cl ZINC000253579699 569273239 /nfs/dbraw/zinc/27/32/39/569273239.db2.gz ZYCSGQIKWGOSOG-UHFFFAOYSA-N 0 1 437.396 5.310 40 0 IKABMN Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)c3nccc4ccccc43)CC2)n1 ZINC000257200732 569275490 /nfs/dbraw/zinc/27/54/90/569275490.db2.gz AERCUMDQLWNKKH-UHFFFAOYSA-N 0 1 441.510 5.236 40 0 IKABMN Cc1ccccc1NC(=O)C(C)(C)N1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257201731 569275623 /nfs/dbraw/zinc/27/56/23/569275623.db2.gz AIUYPGKWPWPXQL-UHFFFAOYSA-N 0 1 429.568 5.125 40 0 IKABMN CC(=O)N1CCCC[C@@H]2CN(Cc3cc(Cl)ccc3OCc3ccccc3)CC[C@H]21 ZINC000257207178 569275733 /nfs/dbraw/zinc/27/57/33/569275733.db2.gz BGRCWYZGDNWFRR-ZJSXRUAMSA-N 0 1 426.988 5.142 40 0 IKABMN Cc1oc2c(c1C(=O)N1CC[C@@H](c3cc(Nc4ccc(F)cn4)cc(C)n3)C1)CCCC2 ZINC000257204386 569275764 /nfs/dbraw/zinc/27/57/64/569275764.db2.gz AUIGYNRTYIXWPK-QGZVFWFLSA-N 0 1 434.515 5.078 40 0 IKABMN O=C([O-])/C=C/c1ccc(C[N@@H+]2CCCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)cc1 ZINC000257226878 569276265 /nfs/dbraw/zinc/27/62/65/569276265.db2.gz FMNYKEUIVNWANC-YYVWFHOOSA-N 0 1 436.939 5.744 40 0 IKABMN O=C([O-])/C=C/c1ccc(C[N@H+]2CCCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)cc1 ZINC000257226878 569276266 /nfs/dbraw/zinc/27/62/66/569276266.db2.gz FMNYKEUIVNWANC-YYVWFHOOSA-N 0 1 436.939 5.744 40 0 IKABMN CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CC[N@@H+](Cc4ccccc4C(=O)[O-])C[C@H]3C[C@H]21 ZINC000257243119 569276932 /nfs/dbraw/zinc/27/69/32/569276932.db2.gz IFOAVRZNDUTLOA-SUIZVZERSA-N 0 1 441.955 5.178 40 0 IKABMN Cn1cc(C[N@H+]2CCC[C@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)c2ccccc21 ZINC000257272951 569277626 /nfs/dbraw/zinc/27/76/26/569277626.db2.gz NEOPVZPRQGBNKS-SANMLTNESA-N 0 1 449.520 6.520 40 0 IKABMN CC(C)c1ccc(NC(=O)C[N@H+]2CCC[C@H]2Cc2c3ccccc3sc2C(=O)[O-])cc1 ZINC000257283978 569277959 /nfs/dbraw/zinc/27/79/59/569277959.db2.gz PATHIMKSZICNNL-IBGZPJMESA-N 0 1 436.577 5.369 40 0 IKABMN COCc1cc(CN2CCC[C@H]2c2ccc(Cc3ccc(F)cc3)cn2)ccc1OC(C)C ZINC000257291553 569278260 /nfs/dbraw/zinc/27/82/60/569278260.db2.gz QHMXNZLCYDDGMS-MHZLTWQESA-N 0 1 448.582 6.082 40 0 IKABMN O=C([O-])c1ccc([C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)nc1CCCc1ccccc1 ZINC000257298246 569278589 /nfs/dbraw/zinc/27/85/89/569278589.db2.gz RKVRHOWZIHUIHM-RUZDIDTESA-N 0 1 434.967 5.946 40 0 IKABMN Fc1ccccc1CN1CCC(c2cc(Oc3ccccc3)nc(-c3cnccn3)n2)CC1 ZINC000257319372 569279152 /nfs/dbraw/zinc/27/91/52/569279152.db2.gz VSCPGCZGJGBTLC-UHFFFAOYSA-N 0 1 441.510 5.245 40 0 IKABMN CC(C)(C)C(=O)N[C@@H](C[C@H]1CCCCN1Cc1ccc(Cl)cc1F)c1ccccn1 ZINC000257322224 569279220 /nfs/dbraw/zinc/27/92/20/569279220.db2.gz WFCJOGZGQRLQQN-KNQAVFIVSA-N 0 1 431.983 5.522 40 0 IKABMN O=C([O-])c1sc2ccccc2c1C[C@H]1CCC[N@H+]1CC(=O)Nc1cccc2ccccc21 ZINC000257321199 569279293 /nfs/dbraw/zinc/27/92/93/569279293.db2.gz WAOSIKXTRICSMO-GOSISDBHSA-N 0 1 444.556 5.398 40 0 IKABMN COc1c(C)cccc1C(=O)N1CC[C@H](c2cc(Nc3nc(C)c(C)s3)cc(C)n2)C1 ZINC000257322030 569279329 /nfs/dbraw/zinc/27/93/29/569279329.db2.gz WEHXMKFFNSCHTN-SFHVURJKSA-N 0 1 436.581 5.154 40 0 IKABMN CC(C)CC(=O)N1CCCC[C@H]1c1nnc(C2CCN(Cc3ccccc3Cl)CC2)o1 ZINC000257329129 569279417 /nfs/dbraw/zinc/27/94/17/569279417.db2.gz XIQBOZNKLUWNIS-NRFANRHFSA-N 0 1 445.007 5.202 40 0 IKABMN CC(C)n1c(CN2CCC(c3ccc(Cc4ccccc4F)cn3)CC2)nc2ccccc21 ZINC000257327858 569279425 /nfs/dbraw/zinc/27/94/25/569279425.db2.gz XDANDSDJUJGPGF-UHFFFAOYSA-N 0 1 442.582 6.122 40 0 IKABMN O=C(c1cc(-c2ccccc2F)[nH]n1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257338217 569279652 /nfs/dbraw/zinc/27/96/52/569279652.db2.gz YWLUXEHAZPRRCC-QHCPKHFHSA-N 0 1 448.473 5.301 40 0 IKABMN Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CCN(C(=O)C(C)(C)c3ccccc3F)C2)n1 ZINC000257338380 569279705 /nfs/dbraw/zinc/27/97/05/569279705.db2.gz YXCKWKWBRJWBJI-KRWDZBQOSA-N 0 1 436.506 5.101 40 0 IKABMN COc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4nc5ccc(F)cc5[nH]4)C3)c2)cc1 ZINC000257340559 569279783 /nfs/dbraw/zinc/27/97/83/569279783.db2.gz ZGROGCHBZYHMPO-GOSISDBHSA-N 0 1 444.510 5.101 40 0 IKABMN CCc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000017920852 569282216 /nfs/dbraw/zinc/28/22/16/569282216.db2.gz YZORGGDPVBBSOO-HJOGWXRNSA-N 0 1 446.934 5.262 40 0 IKABMN CC(C)c1nc(NCc2ccccc2)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)n1 ZINC000329011416 569285372 /nfs/dbraw/zinc/28/53/72/569285372.db2.gz MEFRMIVNDXAFEJ-UHFFFAOYSA-N 0 1 442.485 5.673 40 0 IKABMN CC(C)c1nc(NC2CCCCC2)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)n1 ZINC000329032275 569285402 /nfs/dbraw/zinc/28/54/02/569285402.db2.gz QOKCJMZQPYNTPK-UHFFFAOYSA-N 0 1 434.506 5.806 40 0 IKABMN C[C@@H](NC(=O)CC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1nc2ccccc2[nH]1 ZINC000019748827 569328480 /nfs/dbraw/zinc/32/84/80/569328480.db2.gz PWABXRFDUAJKDB-MRXNPFEDSA-N 0 1 444.501 5.061 40 0 IKABMN C[C@@H]1CCc2c3cc(NS(=O)(=O)c4ccc5ccccc5c4)c4ccccc4c3oc2C1 ZINC000008765743 569474774 /nfs/dbraw/zinc/47/47/74/569474774.db2.gz OOPFBTHVBBTLSJ-QGZVFWFLSA-N 0 1 441.552 6.665 40 0 IKABMN CC(C)c1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(NCc2ccccc2)n1 ZINC000328970850 569583464 /nfs/dbraw/zinc/58/34/64/569583464.db2.gz DMXAJRANNIPMJI-UHFFFAOYSA-N 0 1 442.485 5.673 40 0 IKABMN CC1(C)[C@H](Cc2cc(-c3ccccc3)on2)C[C@@H]1N(Cc1cccnc1)Cc1cccnc1 ZINC000072320753 291399659 /nfs/dbraw/zinc/39/96/59/291399659.db2.gz LJTBGJXVJBWGNW-SQHAQQRYSA-N 0 1 438.575 5.791 40 0 biogenic,in-vitro IKABMN COc1ccc(CNCc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000022076747 524072521 /nfs/dbraw/zinc/07/25/21/524072521.db2.gz VDCCRVGDZSVJNW-UHFFFAOYSA-N 0 1 446.772 5.980 40 0 IKABMN C[C@H](NCc1cc(Br)ccc1OCc1ccccc1Cl)c1ccccc1 ZINC000022074163 525431567 /nfs/dbraw/zinc/43/15/67/525431567.db2.gz GJLAWZYMGGILIF-INIZCTEOSA-N 0 1 430.773 6.532 40 0 IKABMN Cc1cccc(-c2n[nH]c(SCC(=O)Nc3c(Cl)cc(Cl)cc3Cl)n2)c1 ZINC000009056739 555507706 /nfs/dbraw/zinc/50/77/06/555507706.db2.gz KFPFJTVZZBOQJE-UHFFFAOYSA-N 0 1 427.744 5.471 40 0 IKABMN CCN(CC)c1ccc(N[C@H](c2ccc(Cl)cc2)[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000001669483 555708877 /nfs/dbraw/zinc/70/88/77/555708877.db2.gz ZDSGIPWJEGRVHD-DNQXCXABSA-N 0 1 429.391 6.726 40 0 IKABMN CCOC(=O)N1CCN(CCCCCCOc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000004429342 555994549 /nfs/dbraw/zinc/99/45/49/555994549.db2.gz HYDXSOBKJZVXML-UHFFFAOYSA-N 0 1 437.795 5.360 40 0 IKABMN CC(C)(C)c1ccc(-c2n[nH]c(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000009199492 556256988 /nfs/dbraw/zinc/25/69/88/556256988.db2.gz BQLJQOATSAGSMF-UHFFFAOYSA-N 0 1 434.487 5.519 40 0 IKABMN Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)cc3)sc2c1 ZINC000013948068 556343750 /nfs/dbraw/zinc/34/37/50/556343750.db2.gz OZLACMJUPWWPDS-UHFFFAOYSA-N 0 1 449.384 6.379 40 0 IKABMN CCn1c2ccccc2c2cc(NC(=O)C3CCN(Cc4ccccc4Cl)CC3)ccc21 ZINC000039741618 556435301 /nfs/dbraw/zinc/43/53/01/556435301.db2.gz SUNXDRCPSWXLPR-UHFFFAOYSA-N 0 1 445.994 6.319 40 0 IKABMN O=C(C1CCN(Cc2cccc(Cl)c2)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000039773358 556437777 /nfs/dbraw/zinc/43/77/77/556437777.db2.gz HJBXACHOWRVCHA-UHFFFAOYSA-N 0 1 432.995 5.781 40 0 IKABMN Cc1cccc2cc(CN([C@H](c3nnnn3C3CCCC3)C(C)C)C3CCCC3)c(=O)[nH]c12 ZINC000013500605 556509615 /nfs/dbraw/zinc/50/96/15/556509615.db2.gz HDZJPZWRVUTDQT-DEOSSOPVSA-N 0 1 448.615 5.080 40 0 IKABMN Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 ZINC000030867836 556512869 /nfs/dbraw/zinc/51/28/69/556512869.db2.gz SCVKVBBQXOVAEY-QGZVFWFLSA-N 0 1 442.968 5.249 40 0 IKABMN O=C(Nc1ccc(Br)cc1F)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030938511 556515632 /nfs/dbraw/zinc/51/56/32/556515632.db2.gz FOIGEMQGQLXXIU-AWEZNQCLSA-N 0 1 425.729 5.092 40 0 IKABMN CCCCc1ccc(N=C2C[C@@H](c3ccccc3)N(c3ccc(CCCC)cc3)C2=O)cc1 ZINC000015304722 556517555 /nfs/dbraw/zinc/51/75/55/556517555.db2.gz BKSNBLAWWIWSDJ-LJAQVGFWSA-N 0 1 438.615 7.456 40 0 IKABMN O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1ccc(F)cc1 ZINC000032116784 556532704 /nfs/dbraw/zinc/53/27/04/556532704.db2.gz GFIWRPDAFJOWPE-UHFFFAOYSA-N 0 1 427.229 5.354 40 0 IKABMN COc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 ZINC000032116722 556532855 /nfs/dbraw/zinc/53/28/55/556532855.db2.gz QVASYWYAMYIULR-UHFFFAOYSA-N 0 1 439.265 5.224 40 0 IKABMN O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1cccnc1Cl ZINC000032116717 556532863 /nfs/dbraw/zinc/53/28/63/556532863.db2.gz MXTKNYIGZRBOHU-UHFFFAOYSA-N 0 1 444.672 5.264 40 0 IKABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N(C)c3ccccc3)ccc2Cl)c1 ZINC000013671185 556552054 /nfs/dbraw/zinc/55/20/54/556552054.db2.gz WVEYNUAZJZVWMK-UHFFFAOYSA-N 0 1 428.941 5.034 40 0 IKABMN COc1cc(CNCc2ccccc2Cl)cc(Br)c1OCc1ccccc1 ZINC000016195723 556590135 /nfs/dbraw/zinc/59/01/35/556590135.db2.gz OTTXTFCGKVCYQD-UHFFFAOYSA-N 0 1 446.772 5.980 40 0 IKABMN COc1cc(CNCc2ccccc2Cl)ccc1OCc1c(Cl)cccc1Cl ZINC000016196274 556590600 /nfs/dbraw/zinc/59/06/00/556590600.db2.gz ZAOFXCIUYYAANM-UHFFFAOYSA-N 0 1 436.766 6.524 40 0 IKABMN Fc1ccc(CNCc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000016401598 556606007 /nfs/dbraw/zinc/60/60/07/556606007.db2.gz MULWMYQJUHHGJN-UHFFFAOYSA-N 0 1 434.736 6.110 40 0 IKABMN O=C(C[C@@H](c1ccccc1)N1CCN(c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000016477265 556610926 /nfs/dbraw/zinc/61/09/26/556610926.db2.gz NPZVVFHZLFFBBW-DEOSSOPVSA-N 0 1 449.392 5.585 40 0 IKABMN CCc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101036242 556652568 /nfs/dbraw/zinc/65/25/68/556652568.db2.gz YZORGGDPVBBSOO-SGNDLWITSA-N 0 1 446.934 5.262 40 0 IKABMN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000044855379 556671709 /nfs/dbraw/zinc/67/17/09/556671709.db2.gz OSQBIMJNFHSKLU-QFIPXVFZSA-N 0 1 426.988 5.279 40 0 IKABMN C[C@]12CC[C@H]3c4cc(Br)c(O)c(Br)c4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000017417711 556677063 /nfs/dbraw/zinc/67/70/63/556677063.db2.gz UTXNYGUZJLLOSP-FNVOEYNGSA-N 0 1 430.180 5.134 40 0 biogenic,in-vitro IKABMN CC(C)Oc1cccc(CCCNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1 ZINC000044916146 556681347 /nfs/dbraw/zinc/68/13/47/556681347.db2.gz UOLLWLUQKUSJSY-UHFFFAOYSA-N 0 1 429.004 5.088 40 0 IKABMN COc1ccc([C@H](CC(C)C)NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000044937259 556682913 /nfs/dbraw/zinc/68/29/13/556682913.db2.gz OAWKOMASGHVCLR-DEOSSOPVSA-N 0 1 429.004 5.464 40 0 IKABMN Brc1cc2nc(-c3ccc(-c4ccccc4)cc3)[nH]c2c(Br)c1 ZINC000226342791 556684881 /nfs/dbraw/zinc/68/48/81/556684881.db2.gz LAWUANGFSCRBSC-UHFFFAOYSA-N 0 1 428.127 6.422 40 0 IKABMN CC(C)C(=O)N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1 ZINC000019086161 556699645 /nfs/dbraw/zinc/69/96/45/556699645.db2.gz WYNPGCHGDZSXER-NFBKMPQASA-N 0 1 441.641 5.190 40 0 IKABMN C=C1N=C(SCc2ccc(Cl)cc2Cl)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000408991835 556708616 /nfs/dbraw/zinc/70/86/16/556708616.db2.gz RELAPNOGRLKTPE-LJQANCHMSA-N 0 1 435.376 5.764 40 0 IKABMN Cc1nn(Cc2ccccc2)c(C)c1CCC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000019221522 556715774 /nfs/dbraw/zinc/71/57/74/556715774.db2.gz GDBAMEXKACHDBH-RUZDIDTESA-N 0 1 441.579 5.029 40 0 IKABMN O=S(=O)(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cc(Cl)ccc1Cl ZINC000409024864 556725954 /nfs/dbraw/zinc/72/59/54/556725954.db2.gz IJMSZWYXMKXZTN-UHFFFAOYSA-N 0 1 436.404 6.262 40 0 IKABMN FC(F)(F)[C@H]1C[C@@H](c2cccs2)Nc2cc([C@@H]3CCCN3[C@@H]3CCSC3)nn21 ZINC000019343866 556741796 /nfs/dbraw/zinc/74/17/96/556741796.db2.gz QUDLRRSRMZPSRT-VWNJHIHFSA-N 0 1 428.549 5.247 40 0 IKABMN FC(F)(F)c1cc(-c2cccs2)nc2cc([C@H]3CCCCN3C[C@@H]3CCOC3)nn21 ZINC000019344168 556742066 /nfs/dbraw/zinc/74/20/66/556742066.db2.gz ZZEZIEAAAHYMJO-WMLDXEAASA-N 0 1 436.503 5.040 40 0 IKABMN O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3ccccc3F)CC[C@H]21 ZINC000019349201 556744084 /nfs/dbraw/zinc/74/40/84/556744084.db2.gz JYVAYTSSCYMZAR-PQNGQFLHSA-N 0 1 438.543 5.157 40 0 IKABMN O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2F)C1 ZINC000019400697 556753095 /nfs/dbraw/zinc/75/30/95/556753095.db2.gz UPNOWJXQNJEUJY-CJFMBICVSA-N 0 1 427.539 5.010 40 0 IKABMN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@]2(c2ccccc2)C(=O)N1c1ccccc1 ZINC000002374177 556760975 /nfs/dbraw/zinc/76/09/75/556760975.db2.gz FWDPHRPQKVGFJL-WWPJHQMMSA-N 0 1 446.506 5.060 40 0 IKABMN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@]2(c2ccccc2)C(=O)N1c1ccccc1 ZINC000002374177 556760978 /nfs/dbraw/zinc/76/09/78/556760978.db2.gz FWDPHRPQKVGFJL-WWPJHQMMSA-N 0 1 446.506 5.060 40 0 IKABMN C[C@@H](Cc1cccs1)C(=O)N1CCC(c2nc3ccc(F)cn3c2NC(C)(C)C)CC1 ZINC000019457126 556765847 /nfs/dbraw/zinc/76/58/47/556765847.db2.gz QDLZMQBAZWKAQL-INIZCTEOSA-N 0 1 442.604 5.330 40 0 IKABMN Cc1cc2nc(C3CCN(CC(=O)Nc4ccccc4-c4ccccc4)CC3)[nH]c2cc1C ZINC000001335308 556775992 /nfs/dbraw/zinc/77/59/92/556775992.db2.gz KJPNTMRWSLYVPO-UHFFFAOYSA-N 0 1 438.575 5.665 40 0 IKABMN CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2Cc2ccc(OC)c(OC)c2)n1 ZINC000019525604 556783247 /nfs/dbraw/zinc/78/32/47/556783247.db2.gz MHZYQRMVNLSUOL-QFIPXVFZSA-N 0 1 432.568 5.236 40 0 IKABMN CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2Cc2ccc(OC)c(OCC)c2)n1 ZINC000019525607 556783298 /nfs/dbraw/zinc/78/32/98/556783298.db2.gz WJJMZPKOWPTDOX-HSZRJFAPSA-N 0 1 446.595 5.626 40 0 IKABMN COc1ccccc1-c1ccccc1C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2F)C1 ZINC000019571708 556811820 /nfs/dbraw/zinc/81/18/20/556811820.db2.gz GZLWUCAYSYUJBO-MHZLTWQESA-N 0 1 433.523 5.411 40 0 IKABMN COc1ccccc1-c1ccccc1C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000019571705 556811857 /nfs/dbraw/zinc/81/18/57/556811857.db2.gz ZJUPSXWKBZLJBC-HHHXNRCGSA-N 0 1 433.523 5.411 40 0 IKABMN Cc1nn(C)cc1CN1CCC[C@@H]1c1cc(Cc2ccc(C(F)(F)F)cc2)cc(C)n1 ZINC000019690872 556846871 /nfs/dbraw/zinc/84/68/71/556846871.db2.gz CMTLYJZBWDIATH-HSZRJFAPSA-N 0 1 428.502 5.379 40 0 IKABMN Cc1cc(Cc2cccc(C(F)(F)F)c2)cc(C2CCN(Cc3ccnn3C)CC2)n1 ZINC000019691848 556847594 /nfs/dbraw/zinc/84/75/94/556847594.db2.gz GHDBXLSJWSQSCX-UHFFFAOYSA-N 0 1 428.502 5.113 40 0 IKABMN Cc1nc([C@H]2CCCN2C2CCCCCC2)nc2c1CCC(=O)N2Cc1cccc(F)c1 ZINC000019696402 556853377 /nfs/dbraw/zinc/85/33/77/556853377.db2.gz XVBCYNCIZFGILF-HSZRJFAPSA-N 0 1 436.575 5.263 40 0 IKABMN Fc1ccc(OCCc2cc([C@H]3CCCN3Cc3ccc4ncccc4c3)[nH]n2)cc1F ZINC000019703637 556862225 /nfs/dbraw/zinc/86/22/25/556862225.db2.gz RXDBYSLOHRYOAD-RUZDIDTESA-N 0 1 434.490 5.195 40 0 IKABMN O=C(Nc1nccs1)c1cc([C@H]2CN(C3CCCCCC3)CCO2)nc2ccccc21 ZINC000019754922 556898031 /nfs/dbraw/zinc/89/80/31/556898031.db2.gz WWLLNTMULYQURW-JOCHJYFZSA-N 0 1 436.581 5.040 40 0 IKABMN C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+]([C@H](C(=O)[O-])c1c[nH]c3cc(OCc4ccccc4)ccc31)C2 ZINC000036351246 556902285 /nfs/dbraw/zinc/90/22/85/556902285.db2.gz IHTUQSVNUBACSA-BNAYCWRJSA-N 0 1 432.564 5.773 40 0 IKABMN C[C@]12C[C@H](CC(C)(C)C1)[N@H+]([C@H](C(=O)[O-])c1c[nH]c3cc(OCc4ccccc4)ccc31)C2 ZINC000036351244 556902440 /nfs/dbraw/zinc/90/24/40/556902440.db2.gz IHTUQSVNUBACSA-SZJUTTIESA-N 0 1 432.564 5.773 40 0 IKABMN O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000072330446 556905965 /nfs/dbraw/zinc/90/59/65/556905965.db2.gz OPUAYHSYFGHNBL-NLFFAJNJSA-N 0 1 427.539 5.010 40 0 IKABMN Cc1cccnc1Nc1ccc([C@@H]2CCCN2Cc2cc3ccccc3nc2N(C)C)nc1 ZINC000072353096 556925455 /nfs/dbraw/zinc/92/54/55/556925455.db2.gz RHYANFVXJGSIAT-VWLOTQADSA-N 0 1 438.579 5.480 40 0 IKABMN Brc1ccc(-c2n[nH]c(SCc3cccc(Br)c3)n2)cc1 ZINC000019927922 556945876 /nfs/dbraw/zinc/94/58/76/556945876.db2.gz PFVAWYNSXBKNBP-UHFFFAOYSA-N 0 1 425.149 5.289 40 0 IKABMN Cc1nc2ccc(C(=O)N3CCC[C@H](c4cc(Nc5ccccn5)cc(C)n4)C3)cc2s1 ZINC000072374988 556949678 /nfs/dbraw/zinc/94/96/78/556949678.db2.gz GIALTWDGSHXDEX-IBGZPJMESA-N 0 1 443.576 5.467 40 0 IKABMN Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(C(=O)CCCc3ccc(F)c(C)c3)C2)n1 ZINC000072375045 556950594 /nfs/dbraw/zinc/95/05/94/556950594.db2.gz HXNDUDMDAYDJAP-NRFANRHFSA-N 0 1 447.558 5.100 40 0 IKABMN Cc1cccc(Nc2cccc([C@H]3CCCN3Cc3cc4ccccc4nc3N(C)C)n2)n1 ZINC000072375394 556951011 /nfs/dbraw/zinc/95/10/11/556951011.db2.gz ONYSGACANSOWOK-XMMPIXPASA-N 0 1 438.579 5.480 40 0 IKABMN O=C(c1ccccc1)N1CCC[C@H]1c1cc(CCOc2cccc(C(F)(F)F)c2)[nH]n1 ZINC000072378312 556956864 /nfs/dbraw/zinc/95/68/64/556956864.db2.gz KPIQDIMOFCLTAR-NRFANRHFSA-N 0 1 429.442 5.027 40 0 IKABMN O=C(c1ccccc1)N1CCC[C@@H]1c1cc(CCOc2cccc(C(F)(F)F)c2)[nH]n1 ZINC000072378311 556957058 /nfs/dbraw/zinc/95/70/58/556957058.db2.gz KPIQDIMOFCLTAR-OAQYLSRUSA-N 0 1 429.442 5.027 40 0 IKABMN CC(C)Oc1cccc(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3nccs3)CC2)c1 ZINC000072394605 556965914 /nfs/dbraw/zinc/96/59/14/556965914.db2.gz RKKLZKVPZSEXEM-OAQYLSRUSA-N 0 1 429.630 5.046 40 0 IKABMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)ccc1Cl ZINC000020112135 556986641 /nfs/dbraw/zinc/98/66/41/556986641.db2.gz NHRFNFMHNQDNRZ-HNNXBMFYSA-N 0 1 446.931 5.079 40 0 IKABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3cccc(F)c3)ccc2Cl)c1 ZINC000408542943 557033914 /nfs/dbraw/zinc/03/39/14/557033914.db2.gz BKVIYMXFPHWFSF-UHFFFAOYSA-N 0 1 432.904 5.149 40 0 IKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2Cl)c1 ZINC000408547745 557034629 /nfs/dbraw/zinc/03/46/29/557034629.db2.gz MGFJJGCEZZBDFL-UHFFFAOYSA-N 0 1 449.359 5.663 40 0 IKABMN CC(C)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000408547846 557034906 /nfs/dbraw/zinc/03/49/06/557034906.db2.gz NUBSBDJTYKHKHY-UHFFFAOYSA-N 0 1 428.941 5.517 40 0 IKABMN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000408589341 557045885 /nfs/dbraw/zinc/04/58/85/557045885.db2.gz HCJAYXLWQCMHDW-UHFFFAOYSA-N 0 1 439.537 5.153 40 0 IKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CCCCCCC3)ccc2Cl)c(C)c1 ZINC000408603077 557068911 /nfs/dbraw/zinc/06/89/11/557068911.db2.gz FEHMEPWREWCHTO-UHFFFAOYSA-N 0 1 449.016 5.600 40 0 IKABMN CCOc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000408623007 557071334 /nfs/dbraw/zinc/07/13/34/557071334.db2.gz OMEPPHGHJJYXNL-UHFFFAOYSA-N 0 1 444.940 5.100 40 0 IKABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2Cl)c1 ZINC000409381283 557090839 /nfs/dbraw/zinc/09/08/39/557090839.db2.gz LGUQKTWIOOYCBE-UHFFFAOYSA-N 0 1 442.968 5.627 40 0 IKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N(C)Cc3ccccc3)ccc2Cl)c1C ZINC000409383968 557091838 /nfs/dbraw/zinc/09/18/38/557091838.db2.gz RSRXOSXKMRBOIZ-UHFFFAOYSA-N 0 1 442.968 5.030 40 0 IKABMN Brc1ccc2nc(SCc3ccc(I)cc3)[nH]c2c1 ZINC000020765222 557127518 /nfs/dbraw/zinc/12/75/18/557127518.db2.gz ULDFDSFDPFHHNX-UHFFFAOYSA-N 0 1 445.123 5.222 40 0 IKABMN CCc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102726598 557131267 /nfs/dbraw/zinc/13/12/67/557131267.db2.gz YZORGGDPVBBSOO-TZRRMPRUSA-N 0 1 446.934 5.262 40 0 IKABMN CCc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102726598 557131270 /nfs/dbraw/zinc/13/12/70/557131270.db2.gz YZORGGDPVBBSOO-TZRRMPRUSA-N 0 1 446.934 5.262 40 0 IKABMN Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102703524 557132622 /nfs/dbraw/zinc/13/26/22/557132622.db2.gz FWPXXWJCAFWHHE-XPWALMASSA-N 0 1 432.907 5.008 40 0 IKABMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)n2)cc1 ZINC000021138722 557136778 /nfs/dbraw/zinc/13/67/78/557136778.db2.gz DKCTUNWODVLOGU-UHFFFAOYSA-N 0 1 432.505 5.003 40 0 IKABMN Cc1cccc(-c2n[nH]c(SCC(=O)N3c4ccccc4Sc4ccccc43)n2)c1 ZINC000216027478 557138629 /nfs/dbraw/zinc/13/86/29/557138629.db2.gz BFYZMGCYENFCJG-UHFFFAOYSA-N 0 1 430.558 5.702 40 0 IKABMN COc1ccc([C@H]2CC(=Nc3ccc(C)c(C)c3)C(=O)N2c2ccc(C)c(C)c2)cc1OC ZINC000103678087 557139370 /nfs/dbraw/zinc/13/93/70/557139370.db2.gz FCWIWTUSHXFIBV-RUZDIDTESA-N 0 1 442.559 6.021 40 0 IKABMN Cc1ccc(N=C2C[C@H](c3ccc(F)cc3)N(c3ccc(C)c(Cl)c3)C2=O)cc1Cl ZINC000103764481 557140007 /nfs/dbraw/zinc/14/00/07/557140007.db2.gz NZTAJQITXZDQBZ-HSZRJFAPSA-N 0 1 441.333 6.833 40 0 IKABMN CCCCOc1ccc([C@H]2CC(=Nc3cccc(C)c3)C(=O)N2c2cccc(C)c2)cc1 ZINC000103758325 557140033 /nfs/dbraw/zinc/14/00/33/557140033.db2.gz QMPUSDLOWCVCTC-HHHXNRCGSA-N 0 1 426.560 6.566 40 0 IKABMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2)ccc1Cl ZINC000409381915 557140888 /nfs/dbraw/zinc/14/08/88/557140888.db2.gz OXJYHCZNHTZCBB-UHFFFAOYSA-N 0 1 435.332 5.355 40 0 IKABMN CSc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)c1 ZINC000409410577 557145371 /nfs/dbraw/zinc/14/53/71/557145371.db2.gz OGPLEKQXFJYMLY-UHFFFAOYSA-N 0 1 432.954 5.115 40 0 IKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(C)C)ccc2Cl)c1 ZINC000409412201 557146278 /nfs/dbraw/zinc/14/62/78/557146278.db2.gz TXQXZOCHWJBQBZ-UHFFFAOYSA-N 0 1 442.968 5.825 40 0 IKABMN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cc(Cl)cc(Cl)c1O ZINC000057314104 557245110 /nfs/dbraw/zinc/24/51/10/557245110.db2.gz LKYRYUYQOAVISO-VQHVLOKHSA-N 0 1 433.316 5.485 40 0 IKABMN Cc1cc(NC(=O)c2ccccc2)c(C(C)C)c(S(=O)(=O)c2ccc(Cl)cc2)c1O ZINC000026786961 557248893 /nfs/dbraw/zinc/24/88/93/557248893.db2.gz BPRLZIPIDHTFAD-UHFFFAOYSA-N 0 1 443.952 5.563 40 0 IKABMN Cc1ccc(NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1Cl ZINC000408831734 557249150 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O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1cccc(OCc2ccccc2)c1 ZINC000014270354 557429625 /nfs/dbraw/zinc/42/96/25/557429625.db2.gz ICUGKPHSDMQXDD-UHFFFAOYSA-N 0 1 447.343 5.405 40 0 IKABMN CC[C@@H](NC(=O)C1CCN(Cc2ccccc2Cl)CC1)c1ccc2c(c1)CCCC2 ZINC000223103499 557431562 /nfs/dbraw/zinc/43/15/62/557431562.db2.gz FKEGFGNXTHVCCA-RUZDIDTESA-N 0 1 425.016 5.698 40 0 IKABMN COc1cc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1C(C)C ZINC000223349463 557461130 /nfs/dbraw/zinc/46/11/30/557461130.db2.gz GURDBURKLOWALV-IBGZPJMESA-N 0 1 443.031 5.870 40 0 IKABMN CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccc(OC)cc2)cc1 ZINC000223638221 557495225 /nfs/dbraw/zinc/49/52/25/557495225.db2.gz LGQXZVNCGRAUMJ-UHFFFAOYSA-N 0 1 433.913 5.340 40 0 IKABMN COc1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000223639551 557495239 /nfs/dbraw/zinc/49/52/39/557495239.db2.gz HBIOAHYMVKIWAX-UHFFFAOYSA-N 0 1 431.941 5.867 40 0 IKABMN COc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(OC)c(C)c2)c1 ZINC000223640337 557495380 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Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc2Cl)c1 ZINC000033437594 557807822 /nfs/dbraw/zinc/80/78/22/557807822.db2.gz WYILMJIAGXVGEO-UHFFFAOYSA-N 0 1 428.941 5.318 40 0 IKABMN CCc1cc([C@@H](c2ccc(OC)cc2)N2CCC(C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000001298675 568897503 /nfs/dbraw/zinc/89/75/03/568897503.db2.gz YHWWVGYVURCUCQ-RUZDIDTESA-N 0 1 448.632 6.393 40 0 IKABMN Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2Cl)N2CCCCC2)c1C ZINC000002546505 569097415 /nfs/dbraw/zinc/09/74/15/569097415.db2.gz GFAKGLXDDINFCN-QHCPKHFHSA-N 0 1 439.024 6.846 40 0 IKABMN CCc1cc([C@H](c2cccc(F)c2)N2CCC(C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000002551880 569098056 /nfs/dbraw/zinc/09/80/56/569098056.db2.gz JKUJEBHLJVDYIB-DEOSSOPVSA-N 0 1 436.596 6.523 40 0 IKABMN CCc1cc([C@@H](c2cccc(F)c2)N2CCC(C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000002551878 569098067 /nfs/dbraw/zinc/09/80/67/569098067.db2.gz JKUJEBHLJVDYIB-XMMPIXPASA-N 0 1 436.596 6.523 40 0 IKABMN Cc1cccc(N(CC(=O)Nc2cc(Cl)ccc2Cl)c2n[nH]c(=S)s2)c1 ZINC000016769393 569161597 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1 429.545 5.328 40 0 IKABMN CCc1ccc(N2C(=O)C(=Cc3c4ccccc4cc4ccccc43)C(=O)NC2=S)cc1 ZINC000034736076 569247451 /nfs/dbraw/zinc/24/74/51/569247451.db2.gz OJJCWRUPBVQNJG-LFVJCYFKSA-N 0 1 436.536 6.227 40 0 IKABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2Cl)c1 ZINC000107563398 569250480 /nfs/dbraw/zinc/25/04/80/569250480.db2.gz BBOYZNTUBUHRGK-UHFFFAOYSA-N 0 1 449.359 5.663 40 0 IKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2Cl)c(C)c1 ZINC000107620676 569250743 /nfs/dbraw/zinc/25/07/43/569250743.db2.gz FTXBRSHYQLWPQQ-UHFFFAOYSA-N 0 1 442.968 5.627 40 0 IKABMN CN1CCN(c2ccccc2NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)CC1 ZINC000107643982 569250755 /nfs/dbraw/zinc/25/07/55/569250755.db2.gz GPTSTGLSTVTOQS-UHFFFAOYSA-N 0 1 430.335 5.258 40 0 IKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C)ccc2Cl)cc1C ZINC000107900085 569251588 /nfs/dbraw/zinc/25/15/88/569251588.db2.gz ARTJTNRQUOGCDQ-UHFFFAOYSA-N 0 1 442.968 5.627 40 0 IKABMN C=C1N=C(SCc2ccc(Cl)c(Cl)c2)N[C@H](c2ccccc2)C1C(=O)OCC 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AOAFXEMCQCJBLD-SPAWWWTRSA-N 0 1 441.955 5.178 40 0 IKABMN Cc1nc(Nc2cc(C)nc([C@H]3CCN(C(=O)c4n[nH]c5ccc(C)cc54)C3)c2)sc1C ZINC000257209753 569275872 /nfs/dbraw/zinc/27/58/72/569275872.db2.gz BRSWJWHSCHTBDB-KRWDZBQOSA-N 0 1 446.580 5.021 40 0 IKABMN CCCCc1cc(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4Cl)o3)C2)n[nH]1 ZINC000257211744 569275923 /nfs/dbraw/zinc/27/59/23/569275923.db2.gz CAGJERMBBFOOOD-KRWDZBQOSA-N 0 1 426.948 5.004 40 0 IKABMN COc1ccccc1CCC(=O)N1CCC(c2cc(Nc3cccc(C)n3)cc(C)n2)CC1 ZINC000257219417 569276131 /nfs/dbraw/zinc/27/61/31/569276131.db2.gz DGSHWUIOIMGIDK-UHFFFAOYSA-N 0 1 444.579 5.184 40 0 IKABMN O=C([O-])c1sc2ccccc2c1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc2c(c1)CCCC2 ZINC000257221349 569276141 /nfs/dbraw/zinc/27/61/41/569276141.db2.gz DORDDTXETDWAQA-FQEVSTJZSA-N 0 1 448.588 5.124 40 0 IKABMN O=C([O-])c1sc2ccccc2c1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc2c(c1)CCCC2 ZINC000257221350 569276204 /nfs/dbraw/zinc/27/62/04/569276204.db2.gz DORDDTXETDWAQA-HXUWFJFHSA-N 0 1 448.588 5.124 40 0 IKABMN Cc1nc(Nc2cc(C)nc([C@@H]3CCN(C(=O)c4cc5c(cccc5C)[nH]4)C3)c2)sc1C ZINC000257228820 569276544 /nfs/dbraw/zinc/27/65/44/569276544.db2.gz FVJSHAMEDZCIBW-GOSISDBHSA-N 0 1 445.592 5.626 40 0 IKABMN Cc1cccc(Cc2cncc([C@H]3CCCN3Cc3cccc(OC[C@H]4CCCO4)c3)n2)c1 ZINC000257232874 569276587 /nfs/dbraw/zinc/27/65/87/569276587.db2.gz GMUOGKSIRYFORM-IXCJQBJRSA-N 0 1 443.591 5.271 40 0 IKABMN Cc1cccc(Cc2cncc([C@@H]3CCCN3Cc3cccc(OC[C@H]4CCCO4)c3)n2)c1 ZINC000257232873 569276612 /nfs/dbraw/zinc/27/66/12/569276612.db2.gz GMUOGKSIRYFORM-IAPPQJPRSA-N 0 1 443.591 5.271 40 0 IKABMN CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CC[N@@H+](Cc4ccccc4C(=O)[O-])C[C@@H]3C[C@H]21 ZINC000257243116 569276852 /nfs/dbraw/zinc/27/68/52/569276852.db2.gz IFOAVRZNDUTLOA-NCDVDMNXSA-N 0 1 441.955 5.178 40 0 IKABMN CCn1cc(CN2CCC(c3ccc(Cc4ccc(C(F)(F)F)cc4)cn3)CC2)cn1 ZINC000257263542 569277459 /nfs/dbraw/zinc/27/74/59/569277459.db2.gz LQKSDIPPUVRVAC-UHFFFAOYSA-N 0 1 428.502 5.287 40 0 IKABMN Cn1cc(C[N@H+]2CCC[C@@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)c2ccccc21 ZINC000257272950 569277636 /nfs/dbraw/zinc/27/76/36/569277636.db2.gz NEOPVZPRQGBNKS-AREMUKBSSA-N 0 1 449.520 6.520 40 0 IKABMN O=C1CCC[C@]2(C[N@H+](Cc3cccc(OCc4ccccc4)c3)C[C@H]2c2ccccc2F)N1 ZINC000257273254 569277702 /nfs/dbraw/zinc/27/77/02/569277702.db2.gz NFWAFQRZMNZGAN-LBNVMWSVSA-N 0 1 444.550 5.043 40 0 IKABMN CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2cnc(-c3ccc(C)cc3)nc2)C1 ZINC000257280120 569278001 /nfs/dbraw/zinc/27/80/01/569278001.db2.gz OJNFSJCVKPWCTD-HXUWFJFHSA-N 0 1 442.588 5.016 40 0 IKABMN FC(F)(F)[C@H]1C[C@@H](c2cccs2)Nc2cc([C@H]3CCCN3[C@H]3CCSC3)nn21 ZINC000257294438 569278439 /nfs/dbraw/zinc/27/84/39/569278439.db2.gz QUDLRRSRMZPSRT-MKVSYHDVSA-N 0 1 428.549 5.247 40 0 IKABMN Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)CCc3nc4ccc(F)cc4[nH]3)C2)n1 ZINC000257305237 569278635 /nfs/dbraw/zinc/27/86/35/569278635.db2.gz SPAGTIRFBUNFMB-HXUWFJFHSA-N 0 1 442.538 5.411 40 0 IKABMN Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)CCc3nc4ccc(F)cc4[nH]3)C2)n1 ZINC000257305236 569278657 /nfs/dbraw/zinc/27/86/57/569278657.db2.gz SPAGTIRFBUNFMB-FQEVSTJZSA-N 0 1 442.538 5.411 40 0 IKABMN O=C([O-])c1sc2ccccc2c1C[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc2ccccc21 ZINC000257321200 569279245 /nfs/dbraw/zinc/27/92/45/569279245.db2.gz WAOSIKXTRICSMO-SFHVURJKSA-N 0 1 444.556 5.398 40 0 IKABMN Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCN(C(=O)CCc3cccc(Cl)c3)C2)n1 ZINC000257334204 569279549 /nfs/dbraw/zinc/27/95/49/569279549.db2.gz YFACHLRFFQWHSG-GOSISDBHSA-N 0 1 438.934 5.270 40 0 IKABMN CC(C)N(Cc1ccccc1)C(=O)CN1CCC[C@@H](c2ccc(Cc3ccccc3)cn2)C1 ZINC000257343854 569279903 /nfs/dbraw/zinc/27/99/03/569279903.db2.gz ZURGCJOBWCJDOJ-HHHXNRCGSA-N 0 1 441.619 5.289 40 0 IKABMN CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CC[N@@H+](Cc4ccc(C(=O)[O-])cc4)C[C@H]3C[C@H]21 ZINC000257345094 569279909 /nfs/dbraw/zinc/27/99/09/569279909.db2.gz ZZXPGTDJAKUMGZ-TUUKDFBESA-N 0 1 441.955 5.178 40 0 IKABMN CC(C)c1nc(NCc2ccccc2)cc(N2CCc3cc(Br)ccc3C2)n1 ZINC000328960014 569284984 /nfs/dbraw/zinc/28/49/84/569284984.db2.gz AWGGUNHZHUZKMO-UHFFFAOYSA-N 0 1 437.385 5.537 40 0 IKABMN CC(C)c1nc(NC2CCCCC2)cc(N2CCc3ccc(Br)cc3C2)n1 ZINC000329032883 569285455 /nfs/dbraw/zinc/28/54/55/569285455.db2.gz QQZFGGFQMZLRMC-UHFFFAOYSA-N 0 1 429.406 5.670 40 0 IKABMN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(Nc1ccccc1)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000011024904 569301856 /nfs/dbraw/zinc/30/18/56/569301856.db2.gz CFNNBDMQWZZTNH-ZQUCTSJQSA-N 0 1 449.616 8.161 40 0 IKABMN Cc1nc([C@@]2(O)CCCN(Cc3ccc(F)cc3)CC2)sc1CCOc1ccccc1 ZINC000019705450 569327457 /nfs/dbraw/zinc/32/74/57/569327457.db2.gz SFGSWXKYYIXOGA-RUZDIDTESA-N 0 1 440.584 5.086 40 0 IKABMN CC(C)c1cc(N2CCc3ccc(Br)cc3C2)nc(NC2CCCCC2)n1 ZINC000328967513 569583436 /nfs/dbraw/zinc/58/34/36/569583436.db2.gz CTYPEJPNCJKCAJ-UHFFFAOYSA-N 0 1 429.406 5.670 40 0 IKABMN CC(C)c1cc(N2CCc3cc(Br)ccc3C2)nc(NC2CCCCC2)n1 ZINC000328961085 569583486 /nfs/dbraw/zinc/58/34/86/569583486.db2.gz BBJVQHWNEIUUFF-UHFFFAOYSA-N 0 1 429.406 5.670 40 0 IKABMN