smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)N(C)Cc1cnc2n1CCN(c1ccc(NC(=O)CCl)cn1)[C@H]2C ZINC001164858848 721016154 /nfs/dbraw/zinc/01/61/54/721016154.db2.gz HZMQTMCXHNXKIS-AWEZNQCLSA-N 0 1 390.919 2.877 20 50 GFGDMN CC[C@@H](C)n1ncc(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)c1C1CC1 ZINC000825080552 608027604 /nfs/dbraw/zinc/02/76/04/608027604.db2.gz AHHZPPKCGCXAQH-SNVBAGLBSA-N 0 1 399.459 2.780 20 50 GFGDMN O=C(NNc1cccc(-c2nn[nH]n2)c1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000826447943 608270192 /nfs/dbraw/zinc/27/01/92/608270192.db2.gz BSEMWBFHQMOHDI-UHFFFAOYSA-N 0 1 385.338 2.829 20 50 GFGDMN CCSc1ccc(CC(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)cc1 ZINC000825673797 607711716 /nfs/dbraw/zinc/71/17/16/607711716.db2.gz CNDQBIMLNFISOZ-UHFFFAOYSA-N 0 1 387.469 2.776 20 50 GFGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CCCc2cc(F)ccc2F)o1 ZINC000824358363 608060100 /nfs/dbraw/zinc/06/01/00/608060100.db2.gz ICPKALGOJAGTJH-UHFFFAOYSA-N 0 1 391.382 2.722 20 50 GFGDMN CSc1[nH]c(=O)c(C(=O)NNc2ccc(C(C)(C)C)cc2)cc1-c1nn[nH]n1 ZINC000826229769 609177578 /nfs/dbraw/zinc/17/75/78/609177578.db2.gz QTPTXCWOGPBZEI-UHFFFAOYSA-N 0 1 399.480 2.744 20 50 GFGDMN CCCCNc1ccccc1C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1 ZINC000825290692 608120686 /nfs/dbraw/zinc/12/06/86/608120686.db2.gz FOJFOSRWGLOQPR-UHFFFAOYSA-N 0 1 384.444 2.947 20 50 GFGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2cccc(-c3ccoc3)c2)o1 ZINC000824358917 608027585 /nfs/dbraw/zinc/02/75/85/608027585.db2.gz RYZGXMDLHIOBEK-UHFFFAOYSA-N 0 1 379.380 2.995 20 50 GFGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2cccc([C@@H]3CCCOC3)c2)o1 ZINC000824359552 608340245 /nfs/dbraw/zinc/34/02/45/608340245.db2.gz WVKQGFOHBCGCFQ-CQSZACIVSA-N 0 1 397.439 2.629 20 50 GFGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C[C@H](C)c2ccc(F)cc2F)o1 ZINC000824358508 607711112 /nfs/dbraw/zinc/71/11/12/607711112.db2.gz MCCVBVQBWWOXLC-VIFPVBQESA-N 0 1 391.382 2.893 20 50 GFGDMN CSc1cc(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)ccc1F ZINC000826229891 608340815 /nfs/dbraw/zinc/34/08/15/608340815.db2.gz VVCIZIKAKPVMOZ-UHFFFAOYSA-N 0 1 377.405 2.596 20 50 GFGDMN Cc1ccc(C(F)(F)C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)cc1 ZINC000826284451 609152089 /nfs/dbraw/zinc/15/20/89/609152089.db2.gz UIAQLVLURBJUHY-UHFFFAOYSA-N 0 1 377.355 2.522 20 50 GFGDMN C[C@@H](c1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000833547469 605711081 /nfs/dbraw/zinc/71/10/81/605711081.db2.gz DPMCTZVKTAZUKQ-AWEZNQCLSA-N 0 1 384.436 2.927 20 50 GFGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2ccc([C@H]3CCCOC3)cc2)o1 ZINC000824358197 609150639 /nfs/dbraw/zinc/15/06/39/609150639.db2.gz BOKJKHCHLNHTCK-AWEZNQCLSA-N 0 1 397.439 2.629 20 50 GFGDMN C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NNc1ccc(C(=O)[O-])cn1 ZINC000833614038 604803235 /nfs/dbraw/zinc/80/32/35/604803235.db2.gz DOURJCAREHOFJO-HNNXBMFYSA-N 0 1 398.463 2.790 20 50 GFGDMN C[N@@H+](Cc1ccccc1)CC(C)(C)C=NNC(=O)NC1CCN(C(=O)[O-])CC1 ZINC000828382291 603581436 /nfs/dbraw/zinc/58/14/36/603581436.db2.gz CYTFUNTVKMZPIC-UHFFFAOYSA-N 0 1 389.500 2.572 20 50 GFGDMN O=S(=O)(Nc1cc(-c2nn[nH]n2)ccc1O)c1ccc(CCCCl)cc1 ZINC000823583290 606211151 /nfs/dbraw/zinc/21/11/51/606211151.db2.gz LJFDXVWDTYNNPX-UHFFFAOYSA-N 0 1 393.856 2.545 20 50 GFGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2cc(C3CCCCC3)n[nH]2)o1 ZINC000824358667 607980279 /nfs/dbraw/zinc/98/02/79/607980279.db2.gz OFBJEEMQXZMJHB-UHFFFAOYSA-N 0 1 385.432 2.506 20 50 GFGDMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CCP(=O)(c1ccccc1)c1ccccc1 ZINC000833834045 605882328 /nfs/dbraw/zinc/88/23/28/605882328.db2.gz MAJAYIZQZRTEIL-ROUUACIJSA-N 0 1 386.432 2.979 20 50 GFGDMN CCCn1c(C)cc(C=C(C#N)C(=O)Nc2cc(-c3nn[nH]n3)ccc2O)c1C ZINC000825353184 607998405 /nfs/dbraw/zinc/99/84/05/607998405.db2.gz SPJOLWBRSHCGNR-CXUHLZMHSA-N 0 1 391.435 2.946 20 50 GFGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H](C)Cc2cccc(Cl)c2)o1 ZINC000824456899 607889409 /nfs/dbraw/zinc/88/94/09/607889409.db2.gz AHMXSOWTMBBBKM-JTQLQIEISA-N 0 1 389.847 2.953 20 50 GFGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C=Cc2ccc3[nH]ccc3c2)o1 ZINC000824358356 608237373 /nfs/dbraw/zinc/23/73/73/608237373.db2.gz IBCLYVVIAIQXFA-XQRVVYSFSA-N 0 1 378.396 2.616 20 50 GFGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H](C)Cc2cccc(Cl)c2)o1 ZINC000824456900 607889161 /nfs/dbraw/zinc/88/91/61/607889161.db2.gz AHMXSOWTMBBBKM-SNVBAGLBSA-N 0 1 389.847 2.953 20 50 GFGDMN CC(C)N(C)Cc1cnc2n1CCN(c1ncccc1NC(=O)CCl)[C@H]2C ZINC001164858087 720999007 /nfs/dbraw/zinc/99/90/07/720999007.db2.gz GSUAKRWTXNVWBX-AWEZNQCLSA-N 0 1 390.919 2.877 20 50 GFGDMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CCP(=O)(c1ccccc1)c1ccccc1 ZINC000833834040 605881767 /nfs/dbraw/zinc/88/17/67/605881767.db2.gz MAJAYIZQZRTEIL-MSOLQXFVSA-N 0 1 386.432 2.979 20 50 GFGDMN O=C([O-])C[C@@H]1CSCC[N@H+]1CCP(=O)(c1ccccc1)c1ccccc1 ZINC000833221650 601022663 /nfs/dbraw/zinc/02/26/63/601022663.db2.gz MHWHQTCXFIPMQR-QGZVFWFLSA-N 0 1 389.457 2.893 20 50 GFGDMN C[C@@H]1C[NH+](Cc2ccc(C(=O)NNc3ccccc3C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000833629310 605259476 /nfs/dbraw/zinc/25/94/76/605259476.db2.gz HMUDHCBGGODWFG-HUUCEWRRSA-N 0 1 383.448 2.751 20 50 GFGDMN C[C@H]1C[NH+](Cc2ccc(C(=O)NNc3cccc(C(=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000833630876 605735646 /nfs/dbraw/zinc/73/56/46/605735646.db2.gz YHGJAFNTWBJNKM-GJZGRUSLSA-N 0 1 383.448 2.751 20 50 GFGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H](OC(C)(C)C)c2ccccc2)o1 ZINC000824352378 607817788 /nfs/dbraw/zinc/81/77/88/607817788.db2.gz BKQMGRHXBXQXRA-CQSZACIVSA-N 0 1 399.455 2.978 20 50 GFGDMN O=C(NN=Cc1cc(Cl)c(O)cc1Cl)c1cccc(-c2nn[nH]n2)c1 ZINC000826444745 607965065 /nfs/dbraw/zinc/96/50/65/607965065.db2.gz SECGNXADZRSGEN-UHFFFAOYSA-N 0 1 377.191 2.643 20 50 GFGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H](C)c2c(F)cccc2F)o1 ZINC000824352823 608120569 /nfs/dbraw/zinc/12/05/69/608120569.db2.gz PFPGHWQVDNMUSI-QMMMGPOBSA-N 0 1 377.355 2.503 20 50 GFGDMN Cc1ccc2cc(C(=O)NNc3oc(C(C)C)nc3-c3nn[nH]n3)ccc2n1 ZINC000826295112 607510363 /nfs/dbraw/zinc/51/03/63/607510363.db2.gz RRCWEPBAOSZWFE-UHFFFAOYSA-N 0 1 378.396 2.592 20 50 GFGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C[C@@H](C)c2ccc(F)cc2F)o1 ZINC000824358507 607710874 /nfs/dbraw/zinc/71/08/74/607710874.db2.gz MCCVBVQBWWOXLC-SECBINFHSA-N 0 1 391.382 2.893 20 50 GFGDMN O=C(NN=Cc1cc(Cl)c(O)cc1Cl)c1ccc(-c2nn[nH]n2)cc1 ZINC000826444434 607965253 /nfs/dbraw/zinc/96/52/53/607965253.db2.gz GKDISWJLYRGJCM-UHFFFAOYSA-N 0 1 377.191 2.643 20 50 GFGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2CCc3c2cccc3Cl)o1 ZINC000824352339 608583578 /nfs/dbraw/zinc/58/35/78/608583578.db2.gz ADXLBVZBMSEAOO-NSHDSACASA-N 0 1 387.831 2.805 20 50 GFGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H](C)c2c(F)cccc2F)o1 ZINC000824352822 608120250 /nfs/dbraw/zinc/12/02/50/608120250.db2.gz PFPGHWQVDNMUSI-MRVPVSSYSA-N 0 1 377.355 2.503 20 50 GFGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2ccc([C@@H]3CCCOC3)cc2)o1 ZINC000824358198 609150440 /nfs/dbraw/zinc/15/04/40/609150440.db2.gz BOKJKHCHLNHTCK-CQSZACIVSA-N 0 1 397.439 2.629 20 50 GFGDMN Cc1c(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)cnn1C1CCCCC1 ZINC000826234771 609296075 /nfs/dbraw/zinc/29/60/75/609296075.db2.gz NFTCBPYOPVFIKP-UHFFFAOYSA-N 0 1 399.459 2.745 20 50 GFGDMN CCCn1c(C)cc(C=C(C#N)C(=O)Nc2cc(-c3nn[nH]n3)ccc2O)c1C ZINC000825353188 607998522 /nfs/dbraw/zinc/99/85/22/607998522.db2.gz SPJOLWBRSHCGNR-SXGWCWSVSA-N 0 1 391.435 2.946 20 50 GFGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CCc2ccc3[nH]ccc3c2)o1 ZINC000824358926 608583660 /nfs/dbraw/zinc/58/36/60/608583660.db2.gz SDNDUMAQBUDAKR-UHFFFAOYSA-N 0 1 380.412 2.535 20 50 GFGDMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833629187 605747491 /nfs/dbraw/zinc/74/74/91/605747491.db2.gz GCACDJBYCVNYEH-HNAYVOBHSA-N 0 1 382.464 2.922 20 50 GFGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2cc(Cl)c(N)c(Cl)c2)o1 ZINC000824358439 608120349 /nfs/dbraw/zinc/12/03/49/608120349.db2.gz KBYSSFPEYWLVTJ-UHFFFAOYSA-N 0 1 397.226 2.624 20 50 GFGDMN ICCCN(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826379634 609296548 /nfs/dbraw/zinc/29/65/48/609296548.db2.gz XNPDQBUZUUUKNS-UHFFFAOYSA-N 0 1 383.237 2.656 20 50 GFGDMN C[C@H]1C[NH+](Cc2ccc(C(=O)NNc3ccccc3C(=O)[O-])cc2)C[C@H](C)O1 ZINC000833629309 605259213 /nfs/dbraw/zinc/25/92/13/605259213.db2.gz HMUDHCBGGODWFG-GJZGRUSLSA-N 0 1 383.448 2.751 20 50 GFGDMN C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000833522106 605748264 /nfs/dbraw/zinc/74/82/64/605748264.db2.gz WYOMOUUOBBDXPO-MAUKXSAKSA-N 0 1 382.464 2.922 20 50 GFGDMN CC[C@H](C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1)c1ccc(OC)cc1 ZINC000825038576 608583572 /nfs/dbraw/zinc/58/35/72/608583572.db2.gz FSOXRIONLCMFFI-ZDUSSCGKSA-N 0 1 385.428 2.624 20 50 GFGDMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc(NC(=O)CCl)cn1)[C@@H]2C ZINC001164858849 721015426 /nfs/dbraw/zinc/01/54/26/721015426.db2.gz HZMQTMCXHNXKIS-CQSZACIVSA-N 0 1 390.919 2.877 20 50 GFGDMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833629186 605747430 /nfs/dbraw/zinc/74/74/30/605747430.db2.gz GCACDJBYCVNYEH-DNVCBOLYSA-N 0 1 382.464 2.922 20 50 GFGDMN C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000833522108 605748145 /nfs/dbraw/zinc/74/81/45/605748145.db2.gz WYOMOUUOBBDXPO-QAPCUYQASA-N 0 1 382.464 2.922 20 50 GFGDMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NNc3ccccc3C(=O)[O-])cc2)C[C@H](C)O1 ZINC000833629308 605259579 /nfs/dbraw/zinc/25/95/79/605259579.db2.gz HMUDHCBGGODWFG-GASCZTMLSA-N 0 1 383.448 2.751 20 50 GFGDMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)NNc3ccccc3C(=O)[O-])cc2)C[C@H](C)O1 ZINC000833629308 605259581 /nfs/dbraw/zinc/25/95/81/605259581.db2.gz HMUDHCBGGODWFG-GASCZTMLSA-N 0 1 383.448 2.751 20 50 GFGDMN CCC(CC)n1nc(C)cc1C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1 ZINC000825114032 608583726 /nfs/dbraw/zinc/58/37/26/608583726.db2.gz IIVBMRWDJGARBP-UHFFFAOYSA-N 0 1 387.448 2.601 20 50 GFGDMN CC(C)N(CCCI)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824289250 609294593 /nfs/dbraw/zinc/29/45/93/609294593.db2.gz YNWPFBMYFBJPJN-UHFFFAOYSA-N 0 1 385.253 2.902 20 50 GFGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2cc(F)c(Cl)cc2F)o1 ZINC000824358165 608120387 /nfs/dbraw/zinc/12/03/87/608120387.db2.gz ARDQQLAVHLJSOP-UHFFFAOYSA-N 0 1 383.746 2.667 20 50 GFGDMN CCOc1ccc(C=C(C#N)C(=O)Nc2cc(-c3nn[nH]n3)ccc2O)cc1 ZINC000825637901 607997434 /nfs/dbraw/zinc/99/74/34/607997434.db2.gz AVGTUKFDLBPUCK-ZROIWOOFSA-N 0 1 376.376 2.517 20 50 GFGDMN Cc1ccsc1CCCC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1 ZINC000826316629 607676229 /nfs/dbraw/zinc/67/62/29/607676229.db2.gz UDUJOVGRQFKEIN-UHFFFAOYSA-N 0 1 375.458 2.814 20 50 GFGDMN C[C@@H]1C[NH+](Cc2ccc(C(=O)NNc3cccc(C(=O)[O-])c3)cc2)C[C@@H](C)O1 ZINC000833630879 605735537 /nfs/dbraw/zinc/73/55/37/605735537.db2.gz YHGJAFNTWBJNKM-HUUCEWRRSA-N 0 1 383.448 2.751 20 50 GFGDMN C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000833522110 605748169 /nfs/dbraw/zinc/74/81/69/605748169.db2.gz WYOMOUUOBBDXPO-YJBOKZPZSA-N 0 1 382.464 2.922 20 50 GFGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2cccc([C@H]3CCCOC3)c2)o1 ZINC000824359549 608340076 /nfs/dbraw/zinc/34/00/76/608340076.db2.gz WVKQGFOHBCGCFQ-AWEZNQCLSA-N 0 1 397.439 2.629 20 50 GFGDMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833629185 605747141 /nfs/dbraw/zinc/74/71/41/605747141.db2.gz GCACDJBYCVNYEH-BEFAXECRSA-N 0 1 382.464 2.922 20 50 GFGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C=Cc2ccc3[nH]ccc3c2)o1 ZINC000824358355 608237479 /nfs/dbraw/zinc/23/74/79/608237479.db2.gz IBCLYVVIAIQXFA-GQCTYLIASA-N 0 1 378.396 2.616 20 50 GFGDMN CC(C)N(C)Cc1cnc2n1CCN(c1ncccc1NC(=O)CCl)[C@@H]2C ZINC001164858090 720998383 /nfs/dbraw/zinc/99/83/83/720998383.db2.gz GSUAKRWTXNVWBX-CQSZACIVSA-N 0 1 390.919 2.877 20 50 GFGDMN C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000833522104 605748020 /nfs/dbraw/zinc/74/80/20/605748020.db2.gz WYOMOUUOBBDXPO-CRAIPNDOSA-N 0 1 382.464 2.922 20 50 GFGDMN CCN(CC)Cc1ccc(C(=O)NN=C(C)c2ccc(-c3nn[nH]n3)cc2F)o1 ZINC000825417193 609276018 /nfs/dbraw/zinc/27/60/18/609276018.db2.gz PEKBVZOCWYOFAG-UHFFFAOYSA-N 0 1 399.430 2.595 20 50 GFGDMN CCC(=CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1)c1ccc(OC)cc1 ZINC000825029545 607621665 /nfs/dbraw/zinc/62/16/65/607621665.db2.gz VVKKRPDCXMVREE-ZRDIBKRKSA-N 0 1 397.439 2.923 20 50 GFGDMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833629189 605747159 /nfs/dbraw/zinc/74/71/59/605747159.db2.gz GCACDJBYCVNYEH-KXBFYZLASA-N 0 1 382.464 2.922 20 50 GFGDMN O=C([O-])C[C@H]1CSCC[N@H+]1CCP(=O)(c1ccccc1)c1ccccc1 ZINC000833221641 601022996 /nfs/dbraw/zinc/02/29/96/601022996.db2.gz MHWHQTCXFIPMQR-KRWDZBQOSA-N 0 1 389.457 2.893 20 50 GFGDMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NNc3cccc(C(=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000833630874 605735135 /nfs/dbraw/zinc/73/51/35/605735135.db2.gz YHGJAFNTWBJNKM-GASCZTMLSA-N 0 1 383.448 2.751 20 50 GFGDMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)NNc3cccc(C(=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000833630874 605735139 /nfs/dbraw/zinc/73/51/39/605735139.db2.gz YHGJAFNTWBJNKM-GASCZTMLSA-N 0 1 383.448 2.751 20 50 GFGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H](C)Cc2ccccc2Cl)o1 ZINC000824458268 607817572 /nfs/dbraw/zinc/81/75/72/607817572.db2.gz UZDDRHYJLDJDKW-JTQLQIEISA-N 0 1 389.847 2.953 20 50 GFGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2ccccc2OC(F)(F)F)o1 ZINC000824358938 608550629 /nfs/dbraw/zinc/55/06/29/608550629.db2.gz SONDODLSCMJPGB-UHFFFAOYSA-N 0 1 397.317 2.634 20 50 GFGDMN CC[C@@H](C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1)c1ccc(OC)cc1 ZINC000825038575 608583974 /nfs/dbraw/zinc/58/39/74/608583974.db2.gz FSOXRIONLCMFFI-CYBMUJFWSA-N 0 1 385.428 2.624 20 50 GFGDMN O=C([O-])C[N@@H+](CCP(=O)(c1ccccc1)c1ccccc1)C1CCOCC1 ZINC000833248547 601046818 /nfs/dbraw/zinc/04/68/18/601046818.db2.gz RLLQKTLFUPOVHK-UHFFFAOYSA-N 0 1 387.416 2.566 20 50 GFGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2CCc3c2cccc3Cl)o1 ZINC000824352338 608583864 /nfs/dbraw/zinc/58/38/64/608583864.db2.gz ADXLBVZBMSEAOO-LLVKDONJSA-N 0 1 387.831 2.805 20 50 GFGDMN CCC(=CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1)c1ccc(OC)cc1 ZINC000825029544 607621707 /nfs/dbraw/zinc/62/17/07/607621707.db2.gz VVKKRPDCXMVREE-BENRWUELSA-N 0 1 397.439 2.923 20 50 GFGDMN CC(C)(CNC(=O)NNc1cccc(C(=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000833459259 605740501 /nfs/dbraw/zinc/74/05/01/605740501.db2.gz NYJMRACUZXAJLF-UHFFFAOYSA-N 0 1 382.464 2.848 20 50 GFGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H](C)Cc2ccccc2Cl)o1 ZINC000824458269 607817730 /nfs/dbraw/zinc/81/77/30/607817730.db2.gz UZDDRHYJLDJDKW-SNVBAGLBSA-N 0 1 389.847 2.953 20 50 GFGDMN CCOc1ccc(C=C(C#N)C(=O)Nc2cc(-c3nn[nH]n3)ccc2O)cc1 ZINC000825637900 607997357 /nfs/dbraw/zinc/99/73/57/607997357.db2.gz AVGTUKFDLBPUCK-NTEUORMPSA-N 0 1 376.376 2.517 20 50 GFGDMN CC[C@H](C)n1ncc(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)c1C1CC1 ZINC000825080551 608027735 /nfs/dbraw/zinc/02/77/35/608027735.db2.gz AHHZPPKCGCXAQH-JTQLQIEISA-N 0 1 399.459 2.780 20 50 GFGDMN C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CCP(=O)(c1ccccc1)c1ccccc1 ZINC000833834047 605882318 /nfs/dbraw/zinc/88/23/18/605882318.db2.gz MAJAYIZQZRTEIL-ZWKOTPCHSA-N 0 1 386.432 2.979 20 50 GFGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H](OC(C)(C)C)c2ccccc2)o1 ZINC000824352377 607817800 /nfs/dbraw/zinc/81/78/00/607817800.db2.gz BKQMGRHXBXQXRA-AWEZNQCLSA-N 0 1 399.455 2.978 20 50 GFGDMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CCP(=O)(c1ccccc1)c1ccccc1 ZINC000833834042 605881984 /nfs/dbraw/zinc/88/19/84/605881984.db2.gz MAJAYIZQZRTEIL-QZTJIDSGSA-N 0 1 386.432 2.979 20 50 GFGDMN O=C(NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)c1n[nH]c2ccccc21 ZINC000823281207 606127265 /nfs/dbraw/zinc/12/72/65/606127265.db2.gz OFPBZSSHISUQBI-UHFFFAOYSA-N 0 1 388.313 2.519 20 50 GFGDMN C[C@H](c1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000833547471 605711405 /nfs/dbraw/zinc/71/14/05/605711405.db2.gz DPMCTZVKTAZUKQ-CQSZACIVSA-N 0 1 384.436 2.927 20 50 GFGDMN CCOc1cc(Cl)ccc1C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1 ZINC000825615605 609450432 /nfs/dbraw/zinc/45/04/32/609450432.db2.gz CENNGVUURVKWQT-UHFFFAOYSA-N 0 1 391.819 2.787 20 50 GFGDMN C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NNc1ccc(C(=O)[O-])cn1 ZINC000833614039 604803057 /nfs/dbraw/zinc/80/30/57/604803057.db2.gz DOURJCAREHOFJO-OAHLLOKOSA-N 0 1 398.463 2.790 20 50 GFGDMN