smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CCN(C(=O)CCCC[C@@H]2CCSS2)[C@@H](CNC(=O)[O-])C1 ZINC000828496425 604410630 /nfs/dbraw/zinc/41/06/30/604410630.db2.gz VUPMPRMYIOLUPJ-QWHCGFSZSA-N 0 2 361.533 2.111 20 50 FEGDLN C[N@H+]1CCN(C(=O)CCCC[C@@H]2CCSS2)[C@@H](CNC(=O)[O-])C1 ZINC000828496425 604410631 /nfs/dbraw/zinc/41/06/31/604410631.db2.gz VUPMPRMYIOLUPJ-QWHCGFSZSA-N 0 2 361.533 2.111 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1c(F)cc(F)cc1F ZINC000826445987 608574361 /nfs/dbraw/zinc/57/43/61/608574361.db2.gz UGYVSFZLXGRUHO-UHFFFAOYSA-N 0 2 369.694 2.089 20 50 FEGDLN C[C@H](Cc1ccccc1)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824457343 608576914 /nfs/dbraw/zinc/57/69/14/608576914.db2.gz KDQNFTUXAFTICG-SNVBAGLBSA-N 0 2 357.805 2.237 20 50 FEGDLN Cc1ccc(CCC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000826287350 608578614 /nfs/dbraw/zinc/57/86/14/608578614.db2.gz LRPNDVQOLLXDJY-UHFFFAOYSA-N 0 2 357.805 2.299 20 50 FEGDLN CC(C)c1nc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cs1 ZINC000824359344 608580653 /nfs/dbraw/zinc/58/06/53/608580653.db2.gz WETHJSCGLGPNKU-UHFFFAOYSA-N 0 2 364.822 2.252 20 50 FEGDLN COc1ccc([C@H](C)C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000826187750 608578577 /nfs/dbraw/zinc/57/85/77/608578577.db2.gz DFLYFMSWUYDMTG-VIFPVBQESA-N 0 2 373.804 2.171 20 50 FEGDLN CC[C@@H](OC1CCCC1)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825155008 608579454 /nfs/dbraw/zinc/57/94/54/608579454.db2.gz XENBVAZZCJOSFG-LLVKDONJSA-N 0 2 365.825 2.096 20 50 FEGDLN CCOc1cccc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1 ZINC000825648956 608579531 /nfs/dbraw/zinc/57/95/31/608579531.db2.gz HTLCSXMAFGZXTN-UHFFFAOYSA-N 0 2 359.777 2.071 20 50 FEGDLN O=C([O-])N1CCO[C@H](CC(=O)NNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000831387433 605248938 /nfs/dbraw/zinc/24/89/38/605248938.db2.gz JTJSXBXKDFRJNP-LLVKDONJSA-N 0 2 364.789 2.100 20 50 FEGDLN O=C([O-])c1ccccc1NNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000833783849 605724613 /nfs/dbraw/zinc/72/46/13/605724613.db2.gz YXOCHIJOITWDDH-SFHVURJKSA-N 0 2 369.421 2.026 20 50 FEGDLN O=C(NN=c1[nH]c(C(F)(F)F)cs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823285515 606699327 /nfs/dbraw/zinc/69/93/27/606699327.db2.gz UVIXILQUCGIVMJ-UHFFFAOYSA-N 0 2 355.305 2.099 20 50 FEGDLN Cc1cccc(C)c1NCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826297059 608573419 /nfs/dbraw/zinc/57/34/19/608573419.db2.gz TZBDPROMXRCGGN-UHFFFAOYSA-N 0 2 372.820 2.087 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cc(F)c(F)cc1F ZINC000826445986 608581980 /nfs/dbraw/zinc/58/19/80/608581980.db2.gz UGTXFHYLUWHIJJ-UHFFFAOYSA-N 0 2 369.694 2.089 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@@H]1CCCc2ccccc21 ZINC000826445376 608572354 /nfs/dbraw/zinc/57/23/54/608572354.db2.gz RNGXXHVNHQNOPP-CYBMUJFWSA-N 0 2 369.816 2.478 20 50 FEGDLN CC(=CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccccc1 ZINC000823943798 608572830 /nfs/dbraw/zinc/57/28/30/608572830.db2.gz UDMJBXRNEKRVIH-JXMROGBWSA-N 0 2 355.789 2.462 20 50 FEGDLN CCOc1ccccc1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825653349 608576646 /nfs/dbraw/zinc/57/66/46/608576646.db2.gz BGZNGVQIZIPJSU-UHFFFAOYSA-N 0 2 359.777 2.071 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@H]1CSc2ccccc21 ZINC000826445711 608580416 /nfs/dbraw/zinc/58/04/16/608580416.db2.gz GNUHWFXXTFRUTL-JTQLQIEISA-N 0 2 373.829 2.248 20 50 FEGDLN O=C(NN=c1[nH]c(C(F)(F)F)cs1)c1cc(-c2nn[nH]n2)cs1 ZINC000823285523 606699691 /nfs/dbraw/zinc/69/96/91/606699691.db2.gz VGXUIRSKGRYJOV-UHFFFAOYSA-N 0 2 361.334 2.160 20 50 FEGDLN CC(=NNC(=O)c1ccc(O)c(Cl)c1)c1ccc(-c2nn[nH]n2)s1 ZINC000823948819 608094545 /nfs/dbraw/zinc/09/45/45/608094545.db2.gz ZOOHXVOCXZKHAS-UHFFFAOYSA-N 0 2 362.802 2.441 20 50 FEGDLN CC[C@@H](Nc1ccccc1)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825149184 608575429 /nfs/dbraw/zinc/57/54/29/608575429.db2.gz WNWHTQLOXNCQPD-GFCCVEGCSA-N 0 2 372.820 2.249 20 50 FEGDLN Cc1ccccc1CCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826306680 608577451 /nfs/dbraw/zinc/57/74/51/608577451.db2.gz HSJLXOHSNMZMBI-UHFFFAOYSA-N 0 2 357.805 2.299 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1c(F)cccc1Cl ZINC000826446049 608577823 /nfs/dbraw/zinc/57/78/23/608577823.db2.gz XMSOFQPCJREITH-UHFFFAOYSA-N 0 2 368.159 2.465 20 50 FEGDLN CCCOc1cccc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1 ZINC000825342936 608576055 /nfs/dbraw/zinc/57/60/55/608576055.db2.gz YSDTXNDMNZIOIA-UHFFFAOYSA-N 0 2 373.804 2.461 20 50 FEGDLN Cc1cccc(O[C@@H](C)C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1 ZINC000826300106 608578596 /nfs/dbraw/zinc/57/85/96/608578596.db2.gz IVGRZJYDBXLYTG-JTQLQIEISA-N 0 2 373.804 2.134 20 50 FEGDLN N#CC(=Cc1cc(O)ccc1[N+](=O)[O-])C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379671 608219684 /nfs/dbraw/zinc/21/96/84/608219684.db2.gz YMDZKIQPHXPLJW-QPEQYQDCSA-N 0 2 362.305 2.270 20 50 FEGDLN CSc1ccc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000826230565 608573324 /nfs/dbraw/zinc/57/33/24/608573324.db2.gz ZMNZIXJLYYVOCJ-UHFFFAOYSA-N 0 2 361.818 2.394 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccc(Cl)cc1 ZINC000826445766 608577582 /nfs/dbraw/zinc/57/75/82/608577582.db2.gz IWNGBFOWFNRDOF-UHFFFAOYSA-N 0 2 350.169 2.325 20 50 FEGDLN C[N@@H+]1CCN(C(=O)CCCC[C@@H]2CCSS2)[C@H](CNC(=O)[O-])C1 ZINC000828496423 604410634 /nfs/dbraw/zinc/41/06/34/604410634.db2.gz VUPMPRMYIOLUPJ-CHWSQXEVSA-N 0 2 361.533 2.111 20 50 FEGDLN C[N@H+]1CCN(C(=O)CCCC[C@@H]2CCSS2)[C@H](CNC(=O)[O-])C1 ZINC000828496423 604410635 /nfs/dbraw/zinc/41/06/35/604410635.db2.gz VUPMPRMYIOLUPJ-CHWSQXEVSA-N 0 2 361.533 2.111 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccc2ccccc2n1 ZINC000826445747 608572591 /nfs/dbraw/zinc/57/25/91/608572591.db2.gz IFWIACBWHZNQTR-UHFFFAOYSA-N 0 2 366.772 2.220 20 50 FEGDLN CC[C@H](Nc1ccccc1)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825149185 608575417 /nfs/dbraw/zinc/57/54/17/608575417.db2.gz WNWHTQLOXNCQPD-LBPRGKRZSA-N 0 2 372.820 2.249 20 50 FEGDLN Cc1nc(Cl)ccc1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826326401 608575994 /nfs/dbraw/zinc/57/59/94/608575994.db2.gz OABNDXLAQGFMHT-UHFFFAOYSA-N 0 2 365.184 2.029 20 50 FEGDLN CC(=CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccccc1 ZINC000823943799 608572838 /nfs/dbraw/zinc/57/28/38/608572838.db2.gz UDMJBXRNEKRVIH-YFHOEESVSA-N 0 2 355.789 2.462 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1csc(C2CC2)n1 ZINC000826446014 608578960 /nfs/dbraw/zinc/57/89/60/608578960.db2.gz VISRYOSGQOPHCR-UHFFFAOYSA-N 0 2 362.806 2.006 20 50 FEGDLN COc1ccc([C@@H](C)C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000826187749 608578464 /nfs/dbraw/zinc/57/84/64/608578464.db2.gz DFLYFMSWUYDMTG-SECBINFHSA-N 0 2 373.804 2.171 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccc(F)c(F)c1F ZINC000826445860 608582127 /nfs/dbraw/zinc/58/21/27/608582127.db2.gz NUFBRBTZRHJAMA-UHFFFAOYSA-N 0 2 369.694 2.089 20 50 FEGDLN O=C(CCCc1cccs1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826406524 608573803 /nfs/dbraw/zinc/57/38/03/608573803.db2.gz ATMVSDVNAVJEBM-UHFFFAOYSA-N 0 2 363.834 2.443 20 50 FEGDLN Cc1cc(-c2nn[nH]n2)ccc1C(=O)NN=c1[nH]c(C(F)(F)F)cs1 ZINC000826249473 607463200 /nfs/dbraw/zinc/46/32/00/607463200.db2.gz FGOGAEBYEVZXTK-UHFFFAOYSA-N 0 2 369.332 2.407 20 50 FEGDLN O=C(CSc1ccccc1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826420968 608577833 /nfs/dbraw/zinc/57/78/33/608577833.db2.gz LKBZGNQWFIHUOJ-UHFFFAOYSA-N 0 2 361.818 2.151 20 50 FEGDLN O=C(C=Cc1ccccc1F)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826403679 608628020 /nfs/dbraw/zinc/62/80/20/608628020.db2.gz YZKNDHDYWQRPNV-AATRIKPKSA-N 0 2 359.752 2.211 20 50 FEGDLN O=C(NNc1nc(C(F)(F)F)cs1)c1cccc(-c2nn[nH]n2)c1 ZINC000823285314 606698993 /nfs/dbraw/zinc/69/89/93/606698993.db2.gz QPADGOLXKMZSBW-UHFFFAOYSA-N 0 2 355.305 2.099 20 50 FEGDLN O=C(NN=c1[nH]c(C(F)(F)F)cs1)c1cccc(-c2nn[nH]n2)c1 ZINC000823285314 606698994 /nfs/dbraw/zinc/69/89/94/606698994.db2.gz QPADGOLXKMZSBW-UHFFFAOYSA-N 0 2 355.305 2.099 20 50 FEGDLN Cc1ccccc1C1(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)CC1 ZINC000826306341 608575884 /nfs/dbraw/zinc/57/58/84/608575884.db2.gz WKXXGMAAQWFBBP-UHFFFAOYSA-N 0 2 369.816 2.398 20 50 FEGDLN O=C([O-])N1CCO[C@@H](CC(=O)NNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000831387434 605249155 /nfs/dbraw/zinc/24/91/55/605249155.db2.gz JTJSXBXKDFRJNP-NSHDSACASA-N 0 2 364.789 2.100 20 50 FEGDLN CCCc1ncc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)s1 ZINC000825353229 608573407 /nfs/dbraw/zinc/57/34/07/608573407.db2.gz TUZMQCINAUZMMP-UHFFFAOYSA-N 0 2 364.822 2.081 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1coc2ccccc12 ZINC000826445885 608575255 /nfs/dbraw/zinc/57/52/55/608575255.db2.gz PITKULNYGOSXEG-UHFFFAOYSA-N 0 2 355.745 2.418 20 50 FEGDLN C[C@H](C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cccc(F)c1 ZINC000824039962 608578140 /nfs/dbraw/zinc/57/81/40/608578140.db2.gz JSAXDCOQHATBAI-QMMMGPOBSA-N 0 2 361.768 2.301 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cc(F)c(F)c(F)c1 ZINC000826445640 608628771 /nfs/dbraw/zinc/62/87/71/608628771.db2.gz CRCIQGNORJCRPA-UHFFFAOYSA-N 0 2 369.694 2.089 20 50 FEGDLN Cc1cccc([C@@H](C)C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1 ZINC000826295938 608573270 /nfs/dbraw/zinc/57/32/70/608573270.db2.gz DSCDKYCWUNHXDB-SNVBAGLBSA-N 0 2 357.805 2.470 20 50 FEGDLN Cc1ccc(F)c(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1F ZINC000826289357 608580009 /nfs/dbraw/zinc/58/00/09/608580009.db2.gz XANCVQJNMJLBGZ-UHFFFAOYSA-N 0 2 365.731 2.259 20 50 FEGDLN COc1ccc(C=CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000826190597 608630515 /nfs/dbraw/zinc/63/05/15/608630515.db2.gz GUYDWSSBAPOOKD-DAXSKMNVSA-N 0 2 371.788 2.080 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@@H]1CCc2ccccc21 ZINC000826445681 608574981 /nfs/dbraw/zinc/57/49/81/608574981.db2.gz FPUFKBMBBHSTLL-GFCCVEGCSA-N 0 2 355.789 2.088 20 50 FEGDLN Cc1ccc2cc(C(=O)NNc3cc(-c4nn[nH]n4)cc(Cl)n3)[nH]c2c1 ZINC000826295167 608579745 /nfs/dbraw/zinc/57/97/45/608579745.db2.gz UNKWFBKZZFSRAW-UHFFFAOYSA-N 0 2 368.788 2.462 20 50 FEGDLN Cc1ccc(C)c(CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1 ZINC000826285176 608571884 /nfs/dbraw/zinc/57/18/84/608571884.db2.gz RERDJNGFVJGWCL-UHFFFAOYSA-N 0 2 357.805 2.218 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cccc2c1CCC2 ZINC000826446018 608574310 /nfs/dbraw/zinc/57/43/10/608574310.db2.gz VNKXDZLPZGPZOM-UHFFFAOYSA-N 0 2 355.789 2.161 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccc(F)c(Cl)c1 ZINC000826445782 608575092 /nfs/dbraw/zinc/57/50/92/608575092.db2.gz JVIBOKGYUZEDDX-UHFFFAOYSA-N 0 2 368.159 2.465 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccc2ncsc2c1 ZINC000826445952 608579037 /nfs/dbraw/zinc/57/90/37/608579037.db2.gz SFHORONFJQIBIM-UHFFFAOYSA-N 0 2 372.801 2.282 20 50 FEGDLN N#CC(=Cc1cc(O)ccc1[N+](=O)[O-])C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379670 608219221 /nfs/dbraw/zinc/21/92/21/608219221.db2.gz YMDZKIQPHXPLJW-NTUHNPAUSA-N 0 2 362.305 2.270 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccnc2ccccc21 ZINC000826445907 608572546 /nfs/dbraw/zinc/57/25/46/608572546.db2.gz QJFFJKCKTXKGJN-UHFFFAOYSA-N 0 2 366.772 2.220 20 50 FEGDLN Cn1c(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc2ccccc21 ZINC000826355241 608574545 /nfs/dbraw/zinc/57/45/45/608574545.db2.gz PXQJWBRWMOXFES-UHFFFAOYSA-N 0 2 368.788 2.164 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@@H]1Cc2ccccc2S1 ZINC000826445651 608575160 /nfs/dbraw/zinc/57/51/60/608575160.db2.gz DFYOIRHLNHBRLR-NSHDSACASA-N 0 2 373.829 2.075 20 50 FEGDLN Cc1[nH]c2ccccc2c1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826233371 608577180 /nfs/dbraw/zinc/57/71/80/608577180.db2.gz DZXMRSVZHOCNSY-UHFFFAOYSA-N 0 2 368.788 2.462 20 50 FEGDLN O=C([O-])N1CCC(n2cccc2C(=O)NNc2cc[nH+]cc2Cl)CC1 ZINC000831742551 603804760 /nfs/dbraw/zinc/80/47/60/603804760.db2.gz JUPYHLTWYFVOTD-UHFFFAOYSA-N 0 2 363.805 2.030 20 50 FEGDLN COc1cc(C)sc1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826179087 608574904 /nfs/dbraw/zinc/57/49/04/608574904.db2.gz YUKRRQLAMBOTDS-UHFFFAOYSA-N 0 2 365.806 2.051 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccc2ncccc2c1 ZINC000826445717 608578941 /nfs/dbraw/zinc/57/89/41/608578941.db2.gz GVEGIOQNDJENHU-UHFFFAOYSA-N 0 2 366.772 2.220 20 50 FEGDLN CC(C)c1ccc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cn1 ZINC000824347646 608579544 /nfs/dbraw/zinc/57/95/44/608579544.db2.gz IXGQWPMQTZWYLL-UHFFFAOYSA-N 0 2 358.793 2.190 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1(c2ccc(F)cc2)CC1 ZINC000826445361 608577778 /nfs/dbraw/zinc/57/77/78/608577778.db2.gz QWHUZFXGZWIQCG-UHFFFAOYSA-N 0 2 373.779 2.229 20 50 FEGDLN CC(C)c1ncc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)s1 ZINC000824364423 608580512 /nfs/dbraw/zinc/58/05/12/608580512.db2.gz FSAVJHFUZLGIEX-UHFFFAOYSA-N 0 2 364.822 2.252 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1C2CC3CC(C2)CC1C3 ZINC000826444947 608628725 /nfs/dbraw/zinc/62/87/25/608628725.db2.gz AFAHZAYTGLHGKP-UHFFFAOYSA-N 0 2 373.848 2.431 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cc2c(cccc2F)[nH]1 ZINC000826446091 608576871 /nfs/dbraw/zinc/57/68/71/608576871.db2.gz ZIPBWAQDOFACAE-UHFFFAOYSA-N 0 2 372.751 2.292 20 50 FEGDLN CC(C)C[C@H](C)OCCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824228368 608578126 /nfs/dbraw/zinc/57/81/26/608578126.db2.gz HUPYZRDHHLQFLX-JTQLQIEISA-N 0 2 367.841 2.200 20 50 FEGDLN C[C@@H](C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cccc(F)c1 ZINC000824039961 608578183 /nfs/dbraw/zinc/57/81/83/608578183.db2.gz JSAXDCOQHATBAI-MRVPVSSYSA-N 0 2 361.768 2.301 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1CCC(F)(F)CC1 ZINC000826445307 608579175 /nfs/dbraw/zinc/57/91/75/608579175.db2.gz OTLOIJNDLQAGBG-UHFFFAOYSA-N 0 2 357.752 2.184 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1(c2ccccc2F)CC1 ZINC000826445362 608576527 /nfs/dbraw/zinc/57/65/27/608576527.db2.gz QWLXFYMMIDZYMP-UHFFFAOYSA-N 0 2 373.779 2.229 20 50 FEGDLN CC(=O)[C@@H](C)CCCCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000823962271 608576972 /nfs/dbraw/zinc/57/69/72/608576972.db2.gz IPMXVPGHIDANQW-VIFPVBQESA-N 0 2 365.825 2.144 20 50 FEGDLN Cc1cccc(O[C@H](C)C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1 ZINC000826300107 608578679 /nfs/dbraw/zinc/57/86/79/608578679.db2.gz IVGRZJYDBXLYTG-SNVBAGLBSA-N 0 2 373.804 2.134 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccc2c(c1)CCC2 ZINC000826446054 608578949 /nfs/dbraw/zinc/57/89/49/608578949.db2.gz XVRTXKAKQILBAF-UHFFFAOYSA-N 0 2 355.789 2.161 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1(c2cccc(F)c2)CC1 ZINC000826445313 608572453 /nfs/dbraw/zinc/57/24/53/608572453.db2.gz OYORMLAWBJTOSD-UHFFFAOYSA-N 0 2 373.779 2.229 20 50 FEGDLN Cc1cccc(C)c1OCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826296725 608577315 /nfs/dbraw/zinc/57/73/15/608577315.db2.gz HINFTIKHDISJOA-UHFFFAOYSA-N 0 2 373.804 2.054 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1(c2ccccc2)CCC1 ZINC000826445151 608578990 /nfs/dbraw/zinc/57/89/90/608578990.db2.gz IXJOOAQIZJKEJL-UHFFFAOYSA-N 0 2 369.816 2.480 20 50 FEGDLN C[N@@H+]1CCN(C(=O)CCCC[C@H]2CCSS2)[C@H](CNC(=O)[O-])C1 ZINC000828496424 604410157 /nfs/dbraw/zinc/41/01/57/604410157.db2.gz VUPMPRMYIOLUPJ-OLZOCXBDSA-N 0 2 361.533 2.111 20 50 FEGDLN C[N@H+]1CCN(C(=O)CCCC[C@H]2CCSS2)[C@H](CNC(=O)[O-])C1 ZINC000828496424 604410160 /nfs/dbraw/zinc/41/01/60/604410160.db2.gz VUPMPRMYIOLUPJ-OLZOCXBDSA-N 0 2 361.533 2.111 20 50 FEGDLN CCOc1ccc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000825631922 608571805 /nfs/dbraw/zinc/57/18/05/608571805.db2.gz IXLLYFSZOOAPKE-UHFFFAOYSA-N 0 2 359.777 2.071 20 50 FEGDLN COc1cccc([C@H](C)C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1 ZINC000826214108 608573247 /nfs/dbraw/zinc/57/32/47/608573247.db2.gz ALEMWRIGKKZWFT-VIFPVBQESA-N 0 2 373.804 2.171 20 50 FEGDLN O=C(CCc1ccccc1F)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826409253 608580397 /nfs/dbraw/zinc/58/03/97/608580397.db2.gz OVXDVDXJVZXOQL-UHFFFAOYSA-N 0 2 361.768 2.130 20 50 FEGDLN CC(C)Oc1ccc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000824324396 608576863 /nfs/dbraw/zinc/57/68/63/608576863.db2.gz NRUHBRCIDOWLNA-UHFFFAOYSA-N 0 2 373.804 2.459 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000826445160 608573735 /nfs/dbraw/zinc/57/37/35/608573735.db2.gz JBTFCCMYYOPLEB-WCQYABFASA-N 0 2 369.816 2.237 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000826445042 608575101 /nfs/dbraw/zinc/57/51/01/608575101.db2.gz DKGKRXGCHDOIEA-VXGBXAGGSA-N 0 2 373.779 2.301 20 50 FEGDLN Cc1ccc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c(Cl)n1 ZINC000826282071 608627795 /nfs/dbraw/zinc/62/77/95/608627795.db2.gz WXEHMCSUFUEUQZ-UHFFFAOYSA-N 0 2 365.184 2.029 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccc(F)cc1Cl ZINC000826445919 608576382 /nfs/dbraw/zinc/57/63/82/608576382.db2.gz QVCXDNDZBJSQDK-UHFFFAOYSA-N 0 2 368.159 2.465 20 50 FEGDLN Cc1[nH+]c(C(=O)[O-])cn1CC(=O)NN=C(c1ccccc1)c1ccccc1 ZINC000832996244 601637623 /nfs/dbraw/zinc/63/76/23/601637623.db2.gz PBYAIXVHNNLPLA-UHFFFAOYSA-N 0 2 362.389 2.459 20 50 FEGDLN O=C([O-])c1ccccc1NNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000833783848 605724604 /nfs/dbraw/zinc/72/46/04/605724604.db2.gz YXOCHIJOITWDDH-GOSISDBHSA-N 0 2 369.421 2.026 20 50 FEGDLN CCCCc1nc(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)c(Cl)[nH]1 ZINC000825296820 607888421 /nfs/dbraw/zinc/88/84/21/607888421.db2.gz WCJFAYKPJCDCJC-UHFFFAOYSA-N 0 2 372.820 2.350 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cccc2cnccc21 ZINC000826445664 608580379 /nfs/dbraw/zinc/58/03/79/608580379.db2.gz DWUCJYYXVVQCTQ-UHFFFAOYSA-N 0 2 366.772 2.220 20 50 FEGDLN O=C(NN=c1[nH]c(C(F)(F)F)cs1)c1sccc1-c1nn[nH]n1 ZINC000823284035 606699017 /nfs/dbraw/zinc/69/90/17/606699017.db2.gz ABPXQRFQIMTLLF-UHFFFAOYSA-N 0 2 361.334 2.160 20 50 FEGDLN CC(C)Oc1ccccc1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824334268 608579439 /nfs/dbraw/zinc/57/94/39/608579439.db2.gz UCYKMOOETZRFCW-UHFFFAOYSA-N 0 2 373.804 2.459 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cncc2ccccc21 ZINC000826445842 608574948 /nfs/dbraw/zinc/57/49/48/608574948.db2.gz NDMBMZQAKQPXSS-UHFFFAOYSA-N 0 2 366.772 2.220 20 50 FEGDLN CCCCS[C@@H](C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825296346 608576823 /nfs/dbraw/zinc/57/68/23/608576823.db2.gz FLHJFBSFKWWINX-QMMMGPOBSA-N 0 2 355.855 2.280 20 50 FEGDLN Cc1cc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c(F)cc1F ZINC000826260027 608580014 /nfs/dbraw/zinc/58/00/14/608580014.db2.gz ROVPKZJVIDZHAS-UHFFFAOYSA-N 0 2 365.731 2.259 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000826445040 608574932 /nfs/dbraw/zinc/57/49/32/608574932.db2.gz DKGKRXGCHDOIEA-NWDGAFQWSA-N 0 2 373.779 2.301 20 50 FEGDLN Cc1ccc(OCC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c(C)c1 ZINC000826292499 608577073 /nfs/dbraw/zinc/57/70/73/608577073.db2.gz XEPTXIJJIZYLMS-UHFFFAOYSA-N 0 2 373.804 2.054 20 50 FEGDLN O=C(C=Cc1cccc(F)c1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826401019 608627928 /nfs/dbraw/zinc/62/79/28/608627928.db2.gz NFJIVTSYDPCNFG-SNAWJCMRSA-N 0 2 359.752 2.211 20 50 FEGDLN Cc1cccc([C@H](C)C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1 ZINC000826295937 608573292 /nfs/dbraw/zinc/57/32/92/608573292.db2.gz DSCDKYCWUNHXDB-JTQLQIEISA-N 0 2 357.805 2.470 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccc2[nH]ccc2c1 ZINC000826445894 608573849 /nfs/dbraw/zinc/57/38/49/608573849.db2.gz PRKJGEFFICDAFZ-UHFFFAOYSA-N 0 2 354.761 2.153 20 50 FEGDLN Cc1ccc(OCC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1C ZINC000826292177 608577119 /nfs/dbraw/zinc/57/71/19/608577119.db2.gz KXMCBNQORLVEHS-UHFFFAOYSA-N 0 2 373.804 2.054 20 50 FEGDLN CSc1ccsc1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826231172 608578658 /nfs/dbraw/zinc/57/86/58/608578658.db2.gz AECOHSPWYDUYQK-UHFFFAOYSA-N 0 2 367.847 2.455 20 50 FEGDLN CC[C@H](OC1CCCC1)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825155009 608579495 /nfs/dbraw/zinc/57/94/95/608579495.db2.gz XENBVAZZCJOSFG-NSHDSACASA-N 0 2 365.825 2.096 20 50 FEGDLN CCC(=O)c1ccc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000825033954 608575571 /nfs/dbraw/zinc/57/55/71/608575571.db2.gz ARDFNVBYCDHIIA-UHFFFAOYSA-N 0 2 371.788 2.265 20 50 FEGDLN CCn1c(C)cc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1C ZINC000825782955 608576752 /nfs/dbraw/zinc/57/67/52/608576752.db2.gz WUABSNVNMUZNOQ-UHFFFAOYSA-N 0 2 360.809 2.110 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cccc(Cl)c1 ZINC000826445834 608579030 /nfs/dbraw/zinc/57/90/30/608579030.db2.gz MXGGTNYJRQZKHT-UHFFFAOYSA-N 0 2 350.169 2.325 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cc2cc(F)ccc2[nH]1 ZINC000826445780 608572350 /nfs/dbraw/zinc/57/23/50/608572350.db2.gz JUBYDNWSSKBONQ-UHFFFAOYSA-N 0 2 372.751 2.292 20 50 FEGDLN CCCCSCCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825296874 608574339 /nfs/dbraw/zinc/57/43/39/608574339.db2.gz YOEYZBJIPYWKOI-UHFFFAOYSA-N 0 2 355.855 2.282 20 50 FEGDLN O=C(CCc1ccc(F)cc1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826408793 608576331 /nfs/dbraw/zinc/57/63/31/608576331.db2.gz VFNSWPCHOIYKBU-UHFFFAOYSA-N 0 2 361.768 2.130 20 50 FEGDLN Cc1ccccc1NCCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826307633 608630221 /nfs/dbraw/zinc/63/02/21/608630221.db2.gz QGYAJTOIJOJMGZ-UHFFFAOYSA-N 0 2 372.820 2.169 20 50 FEGDLN CCCCc1nc(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)c(Cl)[nH]1 ZINC000825296464 607887759 /nfs/dbraw/zinc/88/77/59/607887759.db2.gz KAHBEGXZWPGIMH-UHFFFAOYSA-N 0 2 372.820 2.350 20 50 FEGDLN CCS[C@H](C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C(C)C ZINC000825668132 608571744 /nfs/dbraw/zinc/57/17/44/608571744.db2.gz BKNLVMASHCRYGK-NSHDSACASA-N 0 2 355.855 2.136 20 50 FEGDLN COc1cccc([C@@H](C)C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1 ZINC000826214107 608573460 /nfs/dbraw/zinc/57/34/60/608573460.db2.gz ALEMWRIGKKZWFT-SECBINFHSA-N 0 2 373.804 2.171 20 50 FEGDLN O=C(C=Cc1cccc(F)c1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826401018 608627788 /nfs/dbraw/zinc/62/77/88/608627788.db2.gz NFJIVTSYDPCNFG-PLNGDYQASA-N 0 2 359.752 2.211 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1nccc2ccccc21 ZINC000826445838 608576247 /nfs/dbraw/zinc/57/62/47/608576247.db2.gz NBBDJQUFQQVPLJ-UHFFFAOYSA-N 0 2 366.772 2.220 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1c[nH]c2cccc(F)c12 ZINC000826445608 608577642 /nfs/dbraw/zinc/57/76/42/608577642.db2.gz BEMHPBJXEWUFCU-UHFFFAOYSA-N 0 2 372.751 2.292 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cccc2[nH]ccc21 ZINC000826445693 608572319 /nfs/dbraw/zinc/57/23/19/608572319.db2.gz GBBFMLLSBKYMFO-UHFFFAOYSA-N 0 2 354.761 2.153 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@H]1CCc2ccccc21 ZINC000826445682 608575109 /nfs/dbraw/zinc/57/51/09/608575109.db2.gz FPUFKBMBBHSTLL-LBPRGKRZSA-N 0 2 355.789 2.088 20 50 FEGDLN CCCCS[C@H](C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825296345 608576767 /nfs/dbraw/zinc/57/67/67/608576767.db2.gz FLHJFBSFKWWINX-MRVPVSSYSA-N 0 2 355.855 2.280 20 50 FEGDLN CC(=O)CCCCCCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000823968287 608576827 /nfs/dbraw/zinc/57/68/27/608576827.db2.gz ZFSYAGYYHSIVAD-UHFFFAOYSA-N 0 2 365.825 2.288 20 50 FEGDLN COc1ccc(C=CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000826190598 608630711 /nfs/dbraw/zinc/63/07/11/608630711.db2.gz GUYDWSSBAPOOKD-QPJJXVBHSA-N 0 2 371.788 2.080 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccc(Cl)c(F)c1 ZINC000826445825 608572583 /nfs/dbraw/zinc/57/25/83/608572583.db2.gz MOSBYBRHUAGVDT-UHFFFAOYSA-N 0 2 368.159 2.465 20 50 FEGDLN CC(C)(C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cccs1 ZINC000824064383 608628698 /nfs/dbraw/zinc/62/86/98/608628698.db2.gz GEQUTVWICGHYQV-UHFFFAOYSA-N 0 2 363.834 2.398 20 50 FEGDLN O=C(NN=c1[nH]c(C(F)(F)F)cs1)c1ccc(-c2nn[nH]n2)s1 ZINC000823284103 606699526 /nfs/dbraw/zinc/69/95/26/606699526.db2.gz CRUIFXDZPQLJJT-UHFFFAOYSA-N 0 2 361.334 2.160 20 50 FEGDLN O=C(NN=c1[nH]c(C(F)(F)F)cs1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000823284054 606719419 /nfs/dbraw/zinc/71/94/19/606719419.db2.gz AVSKBSOCUFFKRE-UHFFFAOYSA-N 0 2 370.320 2.491 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000826445158 608573816 /nfs/dbraw/zinc/57/38/16/608573816.db2.gz JBTFCCMYYOPLEB-AAEUAGOBSA-N 0 2 369.816 2.237 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@H]1C[C@H]1Cc1ccccc1 ZINC000826445161 608573864 /nfs/dbraw/zinc/57/38/64/608573864.db2.gz JBTFCCMYYOPLEB-YPMHNXCESA-N 0 2 369.816 2.237 20 50 FEGDLN O=C(Cc1cccc(Cl)c1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826423245 608575156 /nfs/dbraw/zinc/57/51/56/608575156.db2.gz FTKTUDYHJITOLD-UHFFFAOYSA-N 0 2 364.196 2.254 20 50 FEGDLN COc1c(C)cc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1C ZINC000826167009 608321816 /nfs/dbraw/zinc/32/18/16/608321816.db2.gz LZYLAUAHMKNAFJ-UHFFFAOYSA-N 0 2 373.804 2.297 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cc(Cl)ccc1F ZINC000826446043 608574287 /nfs/dbraw/zinc/57/42/87/608574287.db2.gz WXKDFJPBSHHBCY-UHFFFAOYSA-N 0 2 368.159 2.465 20 50 FEGDLN CC(C)(C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccccc1 ZINC000824064408 608579435 /nfs/dbraw/zinc/57/94/35/608579435.db2.gz HDHVOSHRZBRYQN-UHFFFAOYSA-N 0 2 357.805 2.336 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cc2c(s1)CCC2 ZINC000826445870 608577612 /nfs/dbraw/zinc/57/76/12/608577612.db2.gz OIDWPROMAMYRKE-UHFFFAOYSA-N 0 2 361.818 2.222 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@H]1CCCc2ccccc21 ZINC000826445377 608572562 /nfs/dbraw/zinc/57/25/62/608572562.db2.gz RNGXXHVNHQNOPP-ZDUSSCGKSA-N 0 2 369.816 2.478 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@H]1Cc2ccccc2S1 ZINC000826445650 608574955 /nfs/dbraw/zinc/57/49/55/608574955.db2.gz DFYOIRHLNHBRLR-LLVKDONJSA-N 0 2 373.829 2.075 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1(Cc2ccccc2)CC1 ZINC000826445180 608576361 /nfs/dbraw/zinc/57/63/61/608576361.db2.gz JXJPSYAREBSQON-UHFFFAOYSA-N 0 2 369.816 2.381 20 50 FEGDLN C[C@H](COc1ccccc1)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824447698 608627236 /nfs/dbraw/zinc/62/72/36/608627236.db2.gz AYACGTZGUHFCED-SNVBAGLBSA-N 0 2 373.804 2.073 20 50 FEGDLN O=C(C=Cc1ccccc1F)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826403680 608628072 /nfs/dbraw/zinc/62/80/72/608628072.db2.gz YZKNDHDYWQRPNV-WAYWQWQTSA-N 0 2 359.752 2.211 20 50 FEGDLN C[N@@H+]1CCN(C(=O)CCCC[C@H]2CCSS2)[C@@H](CNC(=O)[O-])C1 ZINC000828496426 604410618 /nfs/dbraw/zinc/41/06/18/604410618.db2.gz VUPMPRMYIOLUPJ-STQMWFEESA-N 0 2 361.533 2.111 20 50 FEGDLN C[N@H+]1CCN(C(=O)CCCC[C@H]2CCSS2)[C@@H](CNC(=O)[O-])C1 ZINC000828496426 604410619 /nfs/dbraw/zinc/41/06/19/604410619.db2.gz VUPMPRMYIOLUPJ-STQMWFEESA-N 0 2 361.533 2.111 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000826445041 608575055 /nfs/dbraw/zinc/57/50/55/608575055.db2.gz DKGKRXGCHDOIEA-RYUDHWBXSA-N 0 2 373.779 2.301 20 50 FEGDLN CCc1ccc(CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000825705163 608579361 /nfs/dbraw/zinc/57/93/61/608579361.db2.gz XPTNGMPUCFUYIY-UHFFFAOYSA-N 0 2 357.805 2.163 20 50 FEGDLN Cc1cc(C)cc(OCC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1 ZINC000826264049 608574782 /nfs/dbraw/zinc/57/47/82/608574782.db2.gz AJQJKPCWNSLILC-UHFFFAOYSA-N 0 2 373.804 2.054 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cccc2cc[nH]c21 ZINC000826445864 608577722 /nfs/dbraw/zinc/57/77/22/608577722.db2.gz NZNUUQPNVSBXFI-UHFFFAOYSA-N 0 2 354.761 2.153 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cccc(Cl)c1F ZINC000826445798 608580308 /nfs/dbraw/zinc/58/03/08/608580308.db2.gz KRDVZGRQFNAEGA-UHFFFAOYSA-N 0 2 368.159 2.465 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cnc2ccsc2c1 ZINC000826445924 608580342 /nfs/dbraw/zinc/58/03/42/608580342.db2.gz RCLIGZJZNXVNBN-UHFFFAOYSA-N 0 2 372.801 2.282 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cc2ccsc2[nH]1 ZINC000826445598 608628575 /nfs/dbraw/zinc/62/85/75/608628575.db2.gz ARCOPUSSAKRKTJ-UHFFFAOYSA-N 0 2 360.790 2.215 20 50 FEGDLN O=C(CCCOc1ccccc1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826406044 608576549 /nfs/dbraw/zinc/57/65/49/608576549.db2.gz FPFJIKDGYPVMNM-UHFFFAOYSA-N 0 2 373.804 2.217 20 50 FEGDLN CC(=O)[C@H](C)CCCCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000823962269 608576880 /nfs/dbraw/zinc/57/68/80/608576880.db2.gz IPMXVPGHIDANQW-SECBINFHSA-N 0 2 365.825 2.144 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000826445159 608573775 /nfs/dbraw/zinc/57/37/75/608573775.db2.gz JBTFCCMYYOPLEB-DGCLKSJQSA-N 0 2 369.816 2.237 20 50 FEGDLN C[C@@H](Cc1ccccc1)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824457342 608576697 /nfs/dbraw/zinc/57/66/97/608576697.db2.gz KDQNFTUXAFTICG-JTQLQIEISA-N 0 2 357.805 2.237 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccccc1Cl ZINC000826445642 608580346 /nfs/dbraw/zinc/58/03/46/608580346.db2.gz CUOAGFZJQGSESF-UHFFFAOYSA-N 0 2 350.169 2.325 20 50 FEGDLN Cc1ccc(CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1C ZINC000826286478 608572052 /nfs/dbraw/zinc/57/20/52/608572052.db2.gz DEKZOQULPCRVDZ-UHFFFAOYSA-N 0 2 357.805 2.218 20 50 FEGDLN Cc1cccc(CCC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1 ZINC000826297647 608574873 /nfs/dbraw/zinc/57/48/73/608574873.db2.gz NXQUPHJBCBAXOA-UHFFFAOYSA-N 0 2 357.805 2.299 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cc2occc2s1 ZINC000826446092 608578111 /nfs/dbraw/zinc/57/81/11/608578111.db2.gz ZJOYFYNNEKIRBV-UHFFFAOYSA-N 0 2 361.774 2.480 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cnc(C2CC2)s1 ZINC000826446040 608578929 /nfs/dbraw/zinc/57/89/29/608578929.db2.gz WPIXVNLRFKFJMT-UHFFFAOYSA-N 0 2 362.806 2.006 20 50 FEGDLN O=C(Cc1c[nH]c2ccccc12)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826421746 608580382 /nfs/dbraw/zinc/58/03/82/608580382.db2.gz WVCKXFAGLBHKAW-UHFFFAOYSA-N 0 2 368.788 2.082 20 50 FEGDLN C[C@@H](COc1ccccc1)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824447697 608627375 /nfs/dbraw/zinc/62/73/75/608627375.db2.gz AYACGTZGUHFCED-JTQLQIEISA-N 0 2 373.804 2.073 20 50 FEGDLN Cc1cccc(OCCC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1 ZINC000826300012 608630726 /nfs/dbraw/zinc/63/07/26/608630726.db2.gz DOULFVWRIIPRTD-UHFFFAOYSA-N 0 2 373.804 2.136 20 50 FEGDLN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2cccc(Cl)c2O)o1 ZINC000824358282 608583620 /nfs/dbraw/zinc/58/36/20/608583620.db2.gz FTVOCEUTDRHQEE-UHFFFAOYSA-N 0 2 363.765 2.094 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cccc(F)c1Cl ZINC000826445997 608576555 /nfs/dbraw/zinc/57/65/55/608576555.db2.gz UOBUORGJZCUHDV-UHFFFAOYSA-N 0 2 368.159 2.465 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1(c2ccccc2)CC1 ZINC000826444966 608580435 /nfs/dbraw/zinc/58/04/35/608580435.db2.gz AVRADCNFVUGMBQ-UHFFFAOYSA-N 0 2 355.789 2.090 20 50 FEGDLN Cn1cc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c2ccccc21 ZINC000826358716 608625438 /nfs/dbraw/zinc/62/54/38/608625438.db2.gz FHWHJBITFKIGIC-UHFFFAOYSA-N 0 2 368.788 2.164 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cccc2ncccc21 ZINC000826445832 608578964 /nfs/dbraw/zinc/57/89/64/608578964.db2.gz MWYJYUTYXGKGSU-UHFFFAOYSA-N 0 2 366.772 2.220 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@@H]1CSc2ccccc21 ZINC000826445712 608580431 /nfs/dbraw/zinc/58/04/31/608580431.db2.gz GNUHWFXXTFRUTL-SNVBAGLBSA-N 0 2 373.829 2.248 20 50 FEGDLN CCS[C@@H](C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C(C)C ZINC000825668131 608571683 /nfs/dbraw/zinc/57/16/83/608571683.db2.gz BKNLVMASHCRYGK-LLVKDONJSA-N 0 2 355.855 2.136 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccc(Cl)s1 ZINC000826445899 608573715 /nfs/dbraw/zinc/57/37/15/608573715.db2.gz QAMHNSVOUMVKBT-UHFFFAOYSA-N 0 2 356.198 2.387 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1scnc1C1CC1 ZINC000826446080 608574251 /nfs/dbraw/zinc/57/42/51/608574251.db2.gz YZBYFKFKNXPHDI-UHFFFAOYSA-N 0 2 362.806 2.006 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000826445039 608574998 /nfs/dbraw/zinc/57/49/98/608574998.db2.gz DKGKRXGCHDOIEA-NEPJUHHUSA-N 0 2 373.779 2.301 20 50 FEGDLN C=CCOc1ccc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000823931794 608579465 /nfs/dbraw/zinc/57/94/65/608579465.db2.gz FGGLPNZLPCCARW-UHFFFAOYSA-N 0 2 371.788 2.237 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cc(Cl)c(Cl)[nH]1 ZINC000826445592 608628728 /nfs/dbraw/zinc/62/87/28/608628728.db2.gz AIBSFRFTTRAKKV-UHFFFAOYSA-N 0 2 373.591 2.307 20 50 FEGDLN CC(C)CCSCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824249216 608574283 /nfs/dbraw/zinc/57/42/83/608574283.db2.gz LHOASPWIKTYWFU-UHFFFAOYSA-N 0 2 355.855 2.138 20 50 FEGDLN CC(C)C[C@@H](C)OCCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824228373 608578030 /nfs/dbraw/zinc/57/80/30/608578030.db2.gz HUPYZRDHHLQFLX-SNVBAGLBSA-N 0 2 367.841 2.200 20 50 FEGDLN Cc1cccc(C2(C(=O)NNc3cc(-c4nn[nH]n4)cc(Cl)n3)CC2)c1 ZINC000826297248 608579900 /nfs/dbraw/zinc/57/99/00/608579900.db2.gz ZRDNHIITDCXUFU-UHFFFAOYSA-N 0 2 369.816 2.398 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccc(Cl)cc1F ZINC000826445605 608580457 /nfs/dbraw/zinc/58/04/57/608580457.db2.gz AYJVFMVEQIOXMU-UHFFFAOYSA-N 0 2 368.159 2.465 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cc(F)cc(Cl)c1 ZINC000826445789 608582140 /nfs/dbraw/zinc/58/21/40/608582140.db2.gz KCHXDLQGXURECV-UHFFFAOYSA-N 0 2 368.159 2.465 20 50 FEGDLN O=C(Cc1cc2ccccc2o1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826421738 608626323 /nfs/dbraw/zinc/62/63/23/608626323.db2.gz WSMMQEOESOQEMX-UHFFFAOYSA-N 0 2 369.772 2.347 20 50 FEGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cc2ccccc2[nH]1 ZINC000826445772 608575077 /nfs/dbraw/zinc/57/50/77/608575077.db2.gz JDOWJKXANJFQGB-UHFFFAOYSA-N 0 2 354.761 2.153 20 50 FEGDLN O=C(NN=c1[nH]c(C(F)(F)F)cs1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000823285498 606719308 /nfs/dbraw/zinc/71/93/08/606719308.db2.gz UNNWDKUUOGGTFB-UHFFFAOYSA-N 0 2 370.320 2.491 20 50 FEGDLN O=C(CCCc1ccccc1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826406942 608572213 /nfs/dbraw/zinc/57/22/13/608572213.db2.gz UDZIJGJPJPHEQZ-UHFFFAOYSA-N 0 2 357.805 2.381 20 50 FEGDLN CSc1ccccc1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826231102 608573266 /nfs/dbraw/zinc/57/32/66/608573266.db2.gz XGASFRBMAOVGQN-UHFFFAOYSA-N 0 2 361.818 2.394 20 50 FEGDLN CCc1cccc(CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1 ZINC000825722494 608579507 /nfs/dbraw/zinc/57/95/07/608579507.db2.gz IKNUTPOFCOXRHP-UHFFFAOYSA-N 0 2 357.805 2.163 20 50 FEGDLN