smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(=O)NN=Cc1c[nH]c2ccc(-c3nn[nH]n3)cc12 ZINC000820837743 945566170 /nfs/dbraw/zinc/56/61/70/945566170.db2.gz MMEUGSPYDKYQDR-UHFFFAOYSA-N 0 0 283.295 1.208 20 50 CDGDRN C=C(CBr)C[N@@H+]1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC001602712628 971357447 /nfs/dbraw/zinc/35/74/47/971357447.db2.gz VBMNISFFENYWDF-WPRPVWTQSA-N 0 0 276.174 1.980 20 50 CDGDRN C[C@H](CBr)C[N@H+](CC(=O)[O-])C1CCOCC1 ZINC001588987879 962769269 /nfs/dbraw/zinc/76/92/69/962769269.db2.gz KYPKEORGNKXSPP-SECBINFHSA-N 0 0 294.189 1.583 20 50 CDGDRN C[C@H]1C[N@H+](Cc2ccccn2)CCC1=NNC(=O)[O-] ZINC000736814070 978358232 /nfs/dbraw/zinc/35/82/32/978358232.db2.gz HUVAGNHCBGDLST-JTQLQIEISA-N 0 0 262.313 1.547 20 50 CDGDRN CC[C@@H](C(=O)NNc1ccc(CC(=O)[O-])cc1)[NH+](C)C ZINC001594736799 987279138 /nfs/dbraw/zinc/27/91/38/987279138.db2.gz OLRZIRXUFITKHH-LBPRGKRZSA-N 0 0 279.340 1.097 20 50 CDGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1 ZINC000826447275 607340155 /nfs/dbraw/zinc/34/01/55/607340155.db2.gz XPVUMCWGWUKLOZ-UHFFFAOYSA-N 0 0 298.281 1.763 20 50 CDGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000826446239 607342267 /nfs/dbraw/zinc/34/22/67/607342267.db2.gz FDDRFCJEDQEJAW-GDNZZTSVSA-N 0 0 284.323 1.356 20 50 CDGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cccc(F)c1 ZINC000826448596 607716212 /nfs/dbraw/zinc/71/62/12/607716212.db2.gz BUSLSKZOQYFQEL-UHFFFAOYSA-N 0 0 298.281 1.763 20 50 CDGDRN C[C@@H]1CCCC1=NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736262983 944777808 /nfs/dbraw/zinc/77/78/08/944777808.db2.gz OUHGVTCRVAAMKH-SECBINFHSA-N 0 0 284.323 1.773 20 50 CDGDRN CCNC(=O)NN=C1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000821293652 945664348 /nfs/dbraw/zinc/66/43/48/945664348.db2.gz MZOUOVWFYPMBPS-UHFFFAOYSA-N 0 0 299.338 1.226 20 50 CDGDRN C=C(CBr)C[NH+]1CCC(C(=O)[O-])CC1 ZINC001602712183 971354530 /nfs/dbraw/zinc/35/45/30/971354530.db2.gz IYNCZENVQDFGAU-UHFFFAOYSA-N 0 0 262.147 1.734 20 50 CDGDRN O=C([O-])[C@@H]1CCC[N@H+](CCI)C1 ZINC001595165024 952208077 /nfs/dbraw/zinc/20/80/77/952208077.db2.gz KGQNVYHSSBGCMR-SSDOTTSWSA-N 0 0 283.109 1.218 20 50 CDGDRN C=C(CBr)C[N@@H+](CC(=O)[O-])C1CCOCC1 ZINC001588444579 958363707 /nfs/dbraw/zinc/36/37/07/958363707.db2.gz JFUZUCDZQJVWGY-UHFFFAOYSA-N 0 0 292.173 1.503 20 50 CDGDRN Cc1c[nH+]ccc1NNC(=O)Cc1ccccc1C(=O)[O-] ZINC001594433755 959203412 /nfs/dbraw/zinc/20/34/12/959203412.db2.gz JMQBASAHUIXBJG-UHFFFAOYSA-N 0 0 285.303 1.196 20 50 CDGDRN CC[N@H+](CCCI)[C@@H](C)C(=O)[O-] ZINC001603739785 974187626 /nfs/dbraw/zinc/18/76/26/974187626.db2.gz YDTOTATXRPGETO-ZETCQYMHSA-N 0 0 285.125 1.607 20 50 CDGDRN C[C@@H](CC[NH+](C)C)C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001592508573 978336225 /nfs/dbraw/zinc/33/62/25/978336225.db2.gz ZZCROCFEMFECRH-NSHDSACASA-N 0 0 293.367 1.345 20 50 CDGDRN C=C(CBr)C[NH2+][C@](C)(COC)CC(=O)[O-] ZINC001588605445 983692753 /nfs/dbraw/zinc/69/27/53/983692753.db2.gz HVOWJNVQZGJZKW-JTQLQIEISA-N 0 0 280.162 1.407 20 50 CDGDRN C[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)[NH+](C)C ZINC001599830848 988671566 /nfs/dbraw/zinc/67/15/66/988671566.db2.gz JYMYMOUZSIBBGR-ZETCQYMHSA-N 0 0 285.731 1.431 20 50 CDGDRN C[C@H]1[C@@H](C(=O)[O-])CC[N@@H+]1CCCI ZINC001594166445 998630176 /nfs/dbraw/zinc/63/01/76/998630176.db2.gz UZOJMPIXKFGMGF-YUMQZZPRSA-N 0 0 297.136 1.607 20 50 CDGDRN O=C(NNc1ccccc1F)c1ccc(-c2nn[nH]n2)nc1 ZINC000826449150 607338477 /nfs/dbraw/zinc/33/84/77/607338477.db2.gz DQQJAQMBSGZKCY-UHFFFAOYSA-N 0 0 299.269 1.158 20 50 CDGDRN O=C(NNc1cccc(F)c1)c1ccc(-c2nn[nH]n2)nc1 ZINC000826449399 607340071 /nfs/dbraw/zinc/34/00/71/607340071.db2.gz QAMWEJAMBAEKNQ-UHFFFAOYSA-N 0 0 299.269 1.158 20 50 CDGDRN Cc1ccccc1NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826307363 608114153 /nfs/dbraw/zinc/11/41/53/608114153.db2.gz FLHZIGZCGAOGLU-UHFFFAOYSA-N 0 0 283.295 1.260 20 50 CDGDRN CC(C)(C)OCC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000824119359 609389804 /nfs/dbraw/zinc/38/98/04/609389804.db2.gz GIDJTOAYZMORFZ-UHFFFAOYSA-N 0 0 290.327 1.125 20 50 CDGDRN CC(Cl)=CC(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC001575207217 952533755 /nfs/dbraw/zinc/53/37/55/952533755.db2.gz OVDYOGGPORSJHO-VOTSOKGWSA-N 0 0 278.703 1.452 20 50 CDGDRN O=C([O-])C1CC[NH+](CCI)CC1 ZINC001594933585 954839988 /nfs/dbraw/zinc/83/99/88/954839988.db2.gz WDYNLIMVXDFKPC-UHFFFAOYSA-N 0 0 283.109 1.218 20 50 CDGDRN CCOCCC[N@@H+]1CCC(=NNC(=O)[O-])[C@H](C)C1 ZINC000737167664 978384092 /nfs/dbraw/zinc/38/40/92/978384092.db2.gz OPHMXILMFOZMSR-SNVBAGLBSA-N 0 0 257.334 1.378 20 50 CDGDRN CCC[NH2+]CCNC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001595936020 983070013 /nfs/dbraw/zinc/07/00/13/983070013.db2.gz OTZUPVNZWNXZNF-UHFFFAOYSA-N 0 0 298.318 1.150 20 50 CDGDRN O=C(C=CC1CC1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826399671 607334555 /nfs/dbraw/zinc/33/45/55/607334555.db2.gz BZLGDVPPKSCCQO-SREVYHEPSA-N 0 0 270.296 1.276 20 50 CDGDRN CC(C)CONC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000824272161 607560906 /nfs/dbraw/zinc/56/09/06/607560906.db2.gz UWQHPYWTYOUBST-UHFFFAOYSA-N 0 0 291.315 1.080 20 50 CDGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000826448569 607719885 /nfs/dbraw/zinc/71/98/85/607719885.db2.gz ANTUAORFZBYAGQ-UHFFFAOYSA-N 0 0 280.291 1.624 20 50 CDGDRN O=C(CCC1CC1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826405386 607724673 /nfs/dbraw/zinc/72/46/73/607724673.db2.gz DGTMVCXLBDELNP-UHFFFAOYSA-N 0 0 272.312 1.500 20 50 CDGDRN C[C@@]1(C(=O)[O-])CC[N@H+](CCCI)C1 ZINC000833553419 605837626 /nfs/dbraw/zinc/83/76/26/605837626.db2.gz DGEBHFGRTXGMPD-SECBINFHSA-N 0 0 297.136 1.608 20 50 CDGDRN CC(C)(C)[C@H]([NH2+]CCCI)C(=O)[O-] ZINC000833423392 605839862 /nfs/dbraw/zinc/83/98/62/605839862.db2.gz AQRXMFOAHOFLBN-SSDOTTSWSA-N 0 0 299.152 1.900 20 50 CDGDRN Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CC=C(C#N)CC1 ZINC000826244654 609166146 /nfs/dbraw/zinc/16/61/46/609166146.db2.gz ZTLVAFJYKPTFDQ-UHFFFAOYSA-N 0 0 294.318 1.471 20 50 CDGDRN O=C(NN=C[C@H]1CC=CCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000738129275 945200986 /nfs/dbraw/zinc/20/09/86/945200986.db2.gz SIABFRNTPLSHNQ-NSHDSACASA-N 0 0 296.334 1.939 20 50 CDGDRN CC(C)OC(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)s1 ZINC000820137295 945359771 /nfs/dbraw/zinc/35/97/71/945359771.db2.gz IJPPYUIZYBRNHH-YVMONPNESA-N 0 0 289.320 1.787 20 50 CDGDRN C[C@@H]1C[C@@H]1C=NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820668619 945519712 /nfs/dbraw/zinc/51/97/12/945519712.db2.gz VPGZEMJRVMDOTN-LDYMZIIASA-N 0 0 270.296 1.238 20 50 CDGDRN C[C@@H](C(=O)[O-])[N@H+](CCCI)C1CC1 ZINC001602819761 971620756 /nfs/dbraw/zinc/62/07/56/971620756.db2.gz HERJJSYNVHEYSK-ZETCQYMHSA-N 0 0 297.136 1.749 20 50 CDGDRN C[C@@](C#N)(CC(=O)[O-])C(=O)NNc1cc[nH+]c2ccccc12 ZINC000819846345 955452916 /nfs/dbraw/zinc/45/29/16/955452916.db2.gz ARNJSHVSLNIEFT-HNNXBMFYSA-N 0 0 298.302 1.104 20 50 CDGDRN C=C(CBr)C[N@@H+](CC(=O)[O-])C1CCC1 ZINC001588444696 958364328 /nfs/dbraw/zinc/36/43/28/958364328.db2.gz OHNCHKKQSTXRQC-UHFFFAOYSA-N 0 0 262.147 1.877 20 50 CDGDRN O=C([O-])[C@@H](C(=O)NNc1cc[nH+]c2ccccc12)C1CC1 ZINC001605901275 972734869 /nfs/dbraw/zinc/73/48/69/972734869.db2.gz OKPGLIODSKOEFT-CYBMUJFWSA-N 0 0 285.303 1.211 20 50 CDGDRN C[C@@H](CBr)C[N@@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC001592211395 977262420 /nfs/dbraw/zinc/26/24/20/977262420.db2.gz LLDXDCOSQLJMID-WPRPVWTQSA-N 0 0 264.163 1.957 20 50 CDGDRN C[NH2+]C[C@H](C)CNC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001598662597 994621548 /nfs/dbraw/zinc/62/15/48/994621548.db2.gz GGYPSPBZHQZBCJ-QMMMGPOBSA-N 0 0 298.318 1.006 20 50 CDGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[NH2+][C@H](C(=O)[O-])c1ccnn1C ZINC001594191053 998744735 /nfs/dbraw/zinc/74/47/35/998744735.db2.gz QZVNBUZJUFIJEE-MBLNEYKQSA-N 0 0 257.721 1.009 20 50 CDGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccsc1 ZINC000826447671 607352196 /nfs/dbraw/zinc/35/21/96/607352196.db2.gz QNWJNWUOJGZZGZ-UHFFFAOYSA-N 0 0 286.320 1.685 20 50 CDGDRN CC(=CC(=O)NNc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC000823943569 607729093 /nfs/dbraw/zinc/72/90/93/607729093.db2.gz QLKDLCQJCZAYIE-VQHVLOKHSA-N 0 0 284.323 1.666 20 50 CDGDRN CC[C@@H](C)OCC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000825074991 607756338 /nfs/dbraw/zinc/75/63/38/607756338.db2.gz MMZSCHJQWDUYLR-SECBINFHSA-N 0 0 290.327 1.125 20 50 CDGDRN N#CC1=CCN(C(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826381078 608387528 /nfs/dbraw/zinc/38/75/28/608387528.db2.gz WSBHYJFOZPTFNC-UHFFFAOYSA-N 0 0 280.291 1.163 20 50 CDGDRN CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000735448105 944657409 /nfs/dbraw/zinc/65/74/09/944657409.db2.gz OUYGELHLMRRFSR-UHFFFAOYSA-N 0 0 272.312 1.628 20 50 CDGDRN C[C@@H](CBr)C[NH2+][C@@H](C(=O)[O-])c1ccnn1C ZINC001588987987 962771196 /nfs/dbraw/zinc/77/11/96/962771196.db2.gz OFPQWNUVPRANSO-IONNQARKSA-N 0 0 290.161 1.166 20 50 CDGDRN CCC[N@H+](C)CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595835772 982738999 /nfs/dbraw/zinc/73/89/99/982738999.db2.gz RUFGULMNNFIMEF-UHFFFAOYSA-N 0 0 299.758 1.823 20 50 CDGDRN CC(C)(C)[NH2+]CCC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001589831740 988302577 /nfs/dbraw/zinc/30/25/77/988302577.db2.gz GUJJPADSODXPGU-UHFFFAOYSA-N 0 0 297.330 1.745 20 50 CDGDRN CO[C@@H]1CC[N@H+](C[C@H](C)CBr)[C@H](C(=O)[O-])C1 ZINC001599125751 997843942 /nfs/dbraw/zinc/84/39/42/997843942.db2.gz SIUCQGMDRJKTBV-BBBLOLIVSA-N 0 0 294.189 1.581 20 50 CDGDRN O=C(NNc1ccccc1F)c1cccc(-c2nn[nH]n2)c1 ZINC000826449447 607338551 /nfs/dbraw/zinc/33/85/51/607338551.db2.gz TURFZWJYROSNDK-UHFFFAOYSA-N 0 0 298.281 1.763 20 50 CDGDRN O=C(NNc1cccc(F)c1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000826449286 607673030 /nfs/dbraw/zinc/67/30/30/607673030.db2.gz KNIKLWGROJDMDC-UHFFFAOYSA-N 0 0 287.258 1.091 20 50 CDGDRN CCOC(=O)C(C#N)=CNc1ccccc1-c1nn[nH]n1 ZINC000736586913 944848545 /nfs/dbraw/zinc/84/85/45/944848545.db2.gz QZKGEXBWMCWPCP-CMDGGOBGSA-N 0 0 284.279 1.249 20 50 CDGDRN C[C@@H](CBr)C[N@H+](C)C[C@H](C)C(=O)[O-] ZINC001592213145 977271567 /nfs/dbraw/zinc/27/15/67/977271567.db2.gz WDETVQPGOSKCKJ-YUMQZZPRSA-N 0 0 252.152 1.670 20 50 CDGDRN CC(C)C[C@@H](C[NH3+])NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001591143794 991872839 /nfs/dbraw/zinc/87/28/39/991872839.db2.gz FHJFDRDQWKDMIM-LBPRGKRZSA-N 0 0 294.355 1.384 20 50 CDGDRN C[N@@H+]1CCC[C@@H](NC(=O)NNc2cccc(C(=O)[O-])c2)C1 ZINC001598594501 993484116 /nfs/dbraw/zinc/48/41/16/993484116.db2.gz OUTBNCPDFGFLTM-GFCCVEGCSA-N 0 0 292.339 1.105 20 50 CDGDRN C[NH2+]C[C@H](C)CNC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001598662995 994628119 /nfs/dbraw/zinc/62/81/19/994628119.db2.gz RCKXNICERFQZAI-QMMMGPOBSA-N 0 0 298.318 1.006 20 50 CDGDRN C[C@H]1[C@H](C[N@@H+]2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)[C@H]1Cl ZINC001594187817 998728117 /nfs/dbraw/zinc/72/81/17/998728117.db2.gz MHJHNFLBASUDNN-WYFGTUCQSA-N 0 0 298.774 1.487 20 50 CDGDRN N#CC1=CCN(C(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826380439 608387613 /nfs/dbraw/zinc/38/76/13/608387613.db2.gz AHUYWIHYRLPAGW-UHFFFAOYSA-N 0 0 280.291 1.163 20 50 CDGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCSC1 ZINC000826446559 607348759 /nfs/dbraw/zinc/34/87/59/607348759.db2.gz QHKXVJNPRCBHPZ-SECBINFHSA-N 0 0 290.352 1.063 20 50 CDGDRN CC(C)(C)C=CC(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000824077446 607355808 /nfs/dbraw/zinc/35/58/08/607355808.db2.gz BILGJZMKFFDWOT-CMDGGOBGSA-N 0 0 286.339 1.912 20 50 CDGDRN O=C(C=CC1CC1)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826399988 607354382 /nfs/dbraw/zinc/35/43/82/607354382.db2.gz MFSCGQZZCLRFRF-BAQGIRSFSA-N 0 0 270.296 1.276 20 50 CDGDRN CC1(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCCC1 ZINC000824783038 607717220 /nfs/dbraw/zinc/71/72/20/607717220.db2.gz BPYBDCZQVVOSKR-UHFFFAOYSA-N 0 0 286.339 1.890 20 50 CDGDRN C[N@H+](CCNC(=O)NNc1cccc(C(=O)[O-])c1)C1CC1 ZINC000833693829 605744663 /nfs/dbraw/zinc/74/46/63/605744663.db2.gz VDOCBDJTIIGOBT-UHFFFAOYSA-N 0 0 292.339 1.105 20 50 CDGDRN CC(=NNC(=O)C1CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000823948732 609273555 /nfs/dbraw/zinc/27/35/55/609273555.db2.gz VLAGILSCDIUFSD-UHFFFAOYSA-N 0 0 288.286 1.256 20 50 CDGDRN CC(=NNC(=O)C(F)F)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000823948436 609450029 /nfs/dbraw/zinc/45/00/29/609450029.db2.gz MPHPOLGDSFHHMK-UHFFFAOYSA-N 0 0 298.228 1.111 20 50 CDGDRN CC[C@H](C)C(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)o1 ZINC000820860286 945575262 /nfs/dbraw/zinc/57/52/62/945575262.db2.gz JBGAFXZHJUNKBM-CYXIBPNKSA-N 0 0 271.280 1.982 20 50 CDGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[NH2+]CC1(C(=O)[O-])CCOCC1 ZINC001589261832 957039646 /nfs/dbraw/zinc/03/96/46/957039646.db2.gz HQXJPGWDCJCCCY-IVZWLZJFSA-N 0 0 261.749 1.331 20 50 CDGDRN C[C@H](CBr)C[NH+]1CCC(C#N)(C(=O)[O-])CC1 ZINC001592210852 977257309 /nfs/dbraw/zinc/25/73/09/977257309.db2.gz HDISVSCFZJAYRP-SECBINFHSA-N 0 0 289.173 1.708 20 50 CDGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[NH2+][C@](C)(Cn1cccn1)C(=O)[O-] ZINC001594190320 998738728 /nfs/dbraw/zinc/73/87/28/998738728.db2.gz GGHILHLAEYUXKT-MIZYBKAJSA-N 0 0 271.748 1.189 20 50 CDGDRN O=C(NNc1ccccc1F)c1ccc(-c2nn[nH]n2)cn1 ZINC000826449517 607340137 /nfs/dbraw/zinc/34/01/37/607340137.db2.gz WRYJTNWMEILHLO-UHFFFAOYSA-N 0 0 299.269 1.158 20 50 CDGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1C[C@@H]1C1CC1 ZINC000826446476 607345001 /nfs/dbraw/zinc/34/50/01/607345001.db2.gz NBVPCOKKQFGSOY-NEPJUHHUSA-N 0 0 284.323 1.356 20 50 CDGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cncs1 ZINC000826449107 607716359 /nfs/dbraw/zinc/71/63/59/607716359.db2.gz BXKXDSBMPHQSHW-UHFFFAOYSA-N 0 0 287.308 1.080 20 50 CDGDRN Cc1cc(C)cc(NNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)c1 ZINC000826264565 607756271 /nfs/dbraw/zinc/75/62/71/607756271.db2.gz SKIHKPXYTDXUDT-UHFFFAOYSA-N 0 0 297.322 1.569 20 50 CDGDRN CCCNC(=O)C(C#N)=Cc1ccccc1-c1nn[nH]n1 ZINC000825328702 607884200 /nfs/dbraw/zinc/88/42/00/607884200.db2.gz VYDKBYCRTJFBJQ-FLIBITNWSA-N 0 0 282.307 1.300 20 50 CDGDRN CC[C@@H](C)C=NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825061152 607887833 /nfs/dbraw/zinc/88/78/33/607887833.db2.gz WQUZZZGCMSOOPV-SECBINFHSA-N 0 0 272.312 1.628 20 50 CDGDRN C/C(C#N)=C/COc1cccc(F)c1-c1nn[nH]n1 ZINC001573558194 946936712 /nfs/dbraw/zinc/93/67/12/946936712.db2.gz FUGWVWSXPMWLON-YVMONPNESA-N 0 0 259.244 1.854 20 50 CDGDRN CC(C)(C)[Si](C)(C)OCC[NH2+][C@@]1(C(=O)[O-])CCOC1 ZINC001588739268 961145909 /nfs/dbraw/zinc/14/59/09/961145909.db2.gz JLGQPMXDKPXKTA-ZDUSSCGKSA-N 0 0 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C=C(C[NH+](C)C)C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001588636347 983754414 /nfs/dbraw/zinc/75/44/14/983754414.db2.gz CKXGAWYYCLWUMN-UHFFFAOYSA-N 0 0 281.287 1.085 20 50 CDGDRN C[C@H]1C[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)CC[NH2+]1 ZINC001594258382 998995338 /nfs/dbraw/zinc/99/53/38/998995338.db2.gz RULOERFIFHHKHH-GXSJLCMTSA-N 0 0 292.339 1.151 20 50 CDGDRN CCC[C@@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000825233227 607346543 /nfs/dbraw/zinc/34/65/43/607346543.db2.gz OOZNDKAFEGTZRR-SECBINFHSA-N 0 0 274.328 1.746 20 50 CDGDRN O=C(Cc1ccco1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826424185 607717422 /nfs/dbraw/zinc/71/74/22/607717422.db2.gz ZUNQAWCSIMEPTG-UHFFFAOYSA-N 0 0 284.279 1.146 20 50 CDGDRN N#CC(=Cc1ccccc1-c1nn[nH]n1)C(=O)N1CCCC1 ZINC000826379719 607883524 /nfs/dbraw/zinc/88/35/24/607883524.db2.gz ZKPXFHDDWKYXDR-FMIVXFBMSA-N 0 0 294.318 1.396 20 50 CDGDRN CN(N=Cc1ccc(-c2nn[nH]n2)o1)C(=O)OC(C)(C)C ZINC000821619312 945748582 /nfs/dbraw/zinc/74/85/82/945748582.db2.gz QWRFICTWYDCLPW-UHFFFAOYSA-N 0 0 292.299 1.661 20 50 CDGDRN N#CC(C#N)=CNc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000822796645 946185667 /nfs/dbraw/zinc/18/56/67/946185667.db2.gz UDFOWJVRKIUMBV-UHFFFAOYSA-N 0 0 271.671 1.863 20 50 CDGDRN CC[NH+](CC)CCC(=O)NN=Cc1cccc(C(=O)[O-])c1 ZINC000814757653 955360186 /nfs/dbraw/zinc/36/01/86/955360186.db2.gz LXCNTVKOXBCEAL-UHFFFAOYSA-N 0 0 291.351 1.567 20 50 CDGDRN C[C@H](CBr)C[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC001592211545 977262152 /nfs/dbraw/zinc/26/21/52/977262152.db2.gz MATAFWSOKXTLCU-RKDXNWHRSA-N 0 0 296.230 1.910 20 50 CDGDRN CC(C)CCC(=O)NN=C1CC[NH+](CCCC(=O)[O-])CC1 ZINC000736429452 978334382 /nfs/dbraw/zinc/33/43/82/978334382.db2.gz XBCVLPHFHNILQV-UHFFFAOYSA-N 0 0 297.399 1.855 20 50 CDGDRN C=C(CBr)CN(C)[C@@H](COC(C)C)C(=O)[O-] ZINC001588605169 983691065 /nfs/dbraw/zinc/69/10/65/983691065.db2.gz BLXWKTZOKOMYTN-JTQLQIEISA-N 0 0 294.189 1.748 20 50 CDGDRN C=C(CBr)C[NH2+]C1(CC(=O)[O-])CCOCC1 ZINC001588605213 983691391 /nfs/dbraw/zinc/69/13/91/983691391.db2.gz CWPWATGFONXWSU-UHFFFAOYSA-N 0 0 292.173 1.551 20 50 CDGDRN C[NH2+]C[C@@H](C)CNC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001598662596 994621462 /nfs/dbraw/zinc/62/14/62/994621462.db2.gz GGYPSPBZHQZBCJ-MRVPVSSYSA-N 0 0 298.318 1.006 20 50 CDGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[NH2+][C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001594191018 998744617 /nfs/dbraw/zinc/74/46/17/998744617.db2.gz QEMKKHVALDBINK-NHRVJRKFSA-N 0 0 283.759 1.879 20 50 CDGDRN C[C@@H]1[C@@H](Cl)[C@H]1C[N@@H+]1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001594191364 998748037 /nfs/dbraw/zinc/74/80/37/998748037.db2.gz XBFYMTHBSTXCHS-HKLXJQGRSA-N 0 0 273.760 1.283 20 50 CDGDRN CCC(CC)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000825096928 607352694 /nfs/dbraw/zinc/35/26/94/607352694.db2.gz RFRHNEZVXRRPCB-UHFFFAOYSA-N 0 0 274.328 1.746 20 50 CDGDRN O=C(C[C@@H]1C=CCC1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826403962 607731736 /nfs/dbraw/zinc/73/17/36/607731736.db2.gz JSMVSRTUPNCVST-SNVBAGLBSA-N 0 0 284.323 1.666 20 50 CDGDRN C=CCNC(=O)C(C#N)=Cc1ccccc1-c1nn[nH]n1 ZINC000823919465 607883083 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605282568 /nfs/dbraw/zinc/28/25/68/605282568.db2.gz LQIVIGGENRFVGW-GFCCVEGCSA-N 0 0 279.340 1.558 20 50 CDGDRN CC[C@H](C(=O)NNc1cccc(C(=O)[O-])c1)[NH+](CC)CC ZINC000833636103 605774865 /nfs/dbraw/zinc/77/48/65/605774865.db2.gz HPVZFLOLJSTQMW-CYBMUJFWSA-N 0 0 293.367 1.948 20 50 CDGDRN CC(C)(C)CC(=O)NN=Cc1ccc(-c2nn[nH]n2)s1 ZINC000819907910 945311963 /nfs/dbraw/zinc/31/19/63/945311963.db2.gz SQVGZQFXNOMBQP-UHFFFAOYSA-N 0 0 292.368 1.815 20 50 CDGDRN CC[C@H](C)C(=O)NN=Cc1cc(-c2nn[nH]n2)cs1 ZINC000820862141 945575278 /nfs/dbraw/zinc/57/52/78/945575278.db2.gz PDRHUXWMHASDGC-ZETCQYMHSA-N 0 0 278.341 1.424 20 50 CDGDRN COC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)cs1 ZINC000821637378 945763885 /nfs/dbraw/zinc/76/38/85/945763885.db2.gz CSYKDDQKTIYELW-QHHAFSJGSA-N 0 0 261.266 1.008 20 50 CDGDRN N#CC(C#N)=CNc1ccc(-c2nn[nH]n2)cc1F ZINC000822801596 946189742 /nfs/dbraw/zinc/18/97/42/946189742.db2.gz KQSZDYWCTFICBU-UHFFFAOYSA-N 0 0 255.216 1.349 20 50 CDGDRN O=C(NN=Cc1cc(-c2nn[nH]n2)cs1)c1ccccn1 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ZINC001592959978 980075616 /nfs/dbraw/zinc/07/56/16/980075616.db2.gz XPBQXEJMFFXQKS-RKDXNWHRSA-N 0 0 280.328 1.137 20 50 CDGDRN O=C(C=CC1CC1)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826399989 607354465 /nfs/dbraw/zinc/35/44/65/607354465.db2.gz MFSCGQZZCLRFRF-FPYGCLRLSA-N 0 0 270.296 1.276 20 50 CDGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCSC1 ZINC000826448234 607725261 /nfs/dbraw/zinc/72/52/61/607725261.db2.gz NIKZKXHKUIVAGH-SECBINFHSA-N 0 0 290.352 1.063 20 50 CDGDRN CC[C@@H](C)OCC(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000825075228 607756357 /nfs/dbraw/zinc/75/63/57/607756357.db2.gz NKCWBBKZIRNCPG-SECBINFHSA-N 0 0 290.327 1.125 20 50 CDGDRN CCOC(=O)C(C#N)=CNc1sccc1-c1nn[nH]n1 ZINC000736583552 944848216 /nfs/dbraw/zinc/84/82/16/944848216.db2.gz DLINPYNJOMJCSF-SREVYHEPSA-N 0 0 290.308 1.311 20 50 CDGDRN C[C@@H](CBr)C[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC001592211544 977262266 /nfs/dbraw/zinc/26/22/66/977262266.db2.gz MATAFWSOKXTLCU-IUCAKERBSA-N 0 0 296.230 1.910 20 50 CDGDRN N#CC1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCCC1 ZINC000826380337 607343250 /nfs/dbraw/zinc/34/32/50/607343250.db2.gz VZWVAJCIAKWZNE-UHFFFAOYSA-N 0 0 297.322 1.394 20 50 CDGDRN O=C([O-])NN=CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000832745486 603496300 /nfs/dbraw/zinc/49/63/00/603496300.db2.gz XFYSRDMDHIODJH-UHFFFAOYSA-N 0 0 269.345 1.523 20 50 CDGDRN CC[C@H](C(=O)NNc1ccc(C(=O)[O-])cc1OC)[NH+](C)C ZINC000833636209 604648008 /nfs/dbraw/zinc/64/80/08/604648008.db2.gz LMIXWCMTDBMQJU-LLVKDONJSA-N 0 0 295.339 1.177 20 50 CDGDRN Cc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826281971 607715106 /nfs/dbraw/zinc/71/51/06/607715106.db2.gz RLNIELWEXOLCPK-UHFFFAOYSA-N 0 0 294.318 1.932 20 50 CDGDRN O=C(CC1CCCC1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826404336 607728295 /nfs/dbraw/zinc/72/82/95/607728295.db2.gz WRICVQMSBFOLFI-UHFFFAOYSA-N 0 0 286.339 1.890 20 50 CDGDRN CC(C)[C@@H](C(=O)NNc1ccccc1C(=O)[O-])[NH+](C)C ZINC000833508409 605721685 /nfs/dbraw/zinc/72/16/85/605721685.db2.gz RBDWQPQGJCRTEL-LBPRGKRZSA-N 0 0 279.340 1.414 20 50 CDGDRN CCc1[nH]c(C(=O)NNc2cc[nH+]cc2)c(C)c1C(=O)[O-] ZINC000833667967 605726851 /nfs/dbraw/zinc/72/68/51/605726851.db2.gz NCVWWOHOJPHOAC-UHFFFAOYSA-N 0 0 288.307 1.158 20 50 CDGDRN N#CC(=Cc1ccccc1-c1nn[nH]n1)C(=O)NC1CC1 ZINC000826379444 607883572 /nfs/dbraw/zinc/88/35/72/607883572.db2.gz RRQVZHPYTNIBFP-YFHOEESVSA-N 0 0 280.291 1.052 20 50 CDGDRN O=C(NN=C[C@@H]1CC=CCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000738129274 945200229 /nfs/dbraw/zinc/20/02/29/945200229.db2.gz SIABFRNTPLSHNQ-LLVKDONJSA-N 0 0 296.334 1.939 20 50 CDGDRN CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccoc1 ZINC000819773596 945287201 /nfs/dbraw/zinc/28/72/01/945287201.db2.gz WCGIZYPMZIWGRS-UHFFFAOYSA-N 0 0 296.290 1.614 20 50 CDGDRN CC(C)(C)C(=O)NN=Cc1ccc(-c2nn[nH]n2)s1 ZINC000819898740 945309144 /nfs/dbraw/zinc/30/91/44/945309144.db2.gz ILZNZLUUPTXPOX-UHFFFAOYSA-N 0 0 278.341 1.424 20 50 CDGDRN CC(C)(C)OC(=O)NN=Cc1ccc(-c2nn[nH]n2)o1 ZINC000819939519 945316361 /nfs/dbraw/zinc/31/63/61/945316361.db2.gz FHIFFXLYYRBVFJ-UHFFFAOYSA-N 0 0 278.272 1.318 20 50 CDGDRN C[C@@H]1C[C@@H]1C=NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820664822 945513569 /nfs/dbraw/zinc/51/35/69/945513569.db2.gz CLTPMNFRGHPIHI-LDYMZIIASA-N 0 0 270.296 1.238 20 50 CDGDRN C[C@H](CBr)C[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC001603119268 972200568 /nfs/dbraw/zinc/20/05/68/972200568.db2.gz WQTYAIICPYJQFW-BDAKNGLRSA-N 0 0 264.163 1.814 20 50 CDGDRN O=C([O-])[C@@H](C1CC1)[N@H+]1C[C@@H]2[C@@H](Br)[C@@H]2C1 ZINC000903410703 956835343 /nfs/dbraw/zinc/83/53/43/956835343.db2.gz DTGBKSQWBLZPSM-RYPBNFRJSA-N 0 0 260.131 1.175 20 50 CDGDRN CCC[N@H+](CCI)CC(=O)[O-] ZINC001610251651 970707883 /nfs/dbraw/zinc/70/78/83/970707883.db2.gz SUCCIPVEAMJPPJ-UHFFFAOYSA-N 0 0 271.098 1.218 20 50 CDGDRN C[C@@H](CBr)C[N@@H+]1CC2CC1(C(=O)[O-])C2 ZINC001592210679 977256151 /nfs/dbraw/zinc/25/61/51/977256151.db2.gz FSNRJTGPEGSXCQ-JEUQWKINSA-N 0 0 262.147 1.566 20 50 CDGDRN C[C@H](CC[NH+](C)C)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001592508091 978332465 /nfs/dbraw/zinc/33/24/65/978332465.db2.gz RZQPZSKZMNEHMO-SNVBAGLBSA-N 0 0 279.340 1.416 20 50 CDGDRN CCCC[C@@H](C(=O)[O-])[N@H+]1C[C@@H]2[C@@H](Br)[C@@H]2C1 ZINC001595630027 981811976 /nfs/dbraw/zinc/81/19/76/981811976.db2.gz TVWPLYGSDQWRJJ-QCLAVDOMSA-N 0 0 276.174 1.955 20 50 CDGDRN C=C(CBr)C[NH2+][C@]1(CC(=O)[O-])CCOC1 ZINC001588605877 983695104 /nfs/dbraw/zinc/69/51/04/983695104.db2.gz QDQZIPXHJDLZBY-JTQLQIEISA-N 0 0 278.146 1.161 20 50 CDGDRN CC(C)(C)[NH2+]CCC(=O)NNc1ccccc1C(=O)[O-] ZINC001589832102 988306396 /nfs/dbraw/zinc/30/63/96/988306396.db2.gz PYZDSJUPCKSVLX-UHFFFAOYSA-N 0 0 279.340 1.606 20 50 CDGDRN C[NH+](C)CCCCC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001598217167 990881175 /nfs/dbraw/zinc/88/11/75/990881175.db2.gz LCMZUBKIRRYHBR-UHFFFAOYSA-N 0 0 293.367 1.489 20 50 CDGDRN CC(C)CCC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000824243587 607335272 /nfs/dbraw/zinc/33/52/72/607335272.db2.gz JPYVKBNAEXQVMT-UHFFFAOYSA-N 0 0 274.328 1.746 20 50 CDGDRN Cc1ccc(NNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)cc1 ZINC000826291356 607457323 /nfs/dbraw/zinc/45/73/23/607457323.db2.gz BHFWGJREDFUEGQ-UHFFFAOYSA-N 0 0 283.295 1.260 20 50 CDGDRN CC[C@H](C)[C@@H](C)C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000825051883 609164356 /nfs/dbraw/zinc/16/43/56/609164356.db2.gz UGRPWFPTXRMCGJ-VHSXEESVSA-N 0 0 288.355 1.992 20 50 CDGDRN COC[C@]1(C(=O)[O-])CC[N@H+](C[C@@H]2[C@H](C)[C@@H]2Cl)C1 ZINC001593966696 956555573 /nfs/dbraw/zinc/55/55/73/956555573.db2.gz MXISIKCDPLBFNW-WYFGTUCQSA-N 0 0 261.749 1.283 20 50 CDGDRN O=C([O-])CCC[NH+]1CCC(=NNC(=O)c2ccoc2)CC1 ZINC000739672454 978648195 /nfs/dbraw/zinc/64/81/95/978648195.db2.gz HVTCYIAPFSYWRM-UHFFFAOYSA-N 0 0 293.323 1.326 20 50 CDGDRN C[C@@H](CNC(=O)NNc1ccc(C(=O)[O-])c(F)c1)[NH+](C)C ZINC001599836478 988751776 /nfs/dbraw/zinc/75/17/76/988751776.db2.gz CGBGJTCPENPTGS-QMMMGPOBSA-N 0 0 298.318 1.100 20 50 CDGDRN CS[C@H](C)C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826224937 607713338 /nfs/dbraw/zinc/71/33/38/607713338.db2.gz PJVWMTVSMQFOAW-SSDOTTSWSA-N 0 0 278.341 1.061 20 50 CDGDRN CSC[C@@H](C)C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826226650 607726101 /nfs/dbraw/zinc/72/61/01/607726101.db2.gz DKAMHKFBWVBONP-MRVPVSSYSA-N 0 0 292.368 1.309 20 50 CDGDRN CC(C)(C)[C@@H]([NH2+]CCCI)C(=O)[O-] ZINC000833423393 605839457 /nfs/dbraw/zinc/83/94/57/605839457.db2.gz AQRXMFOAHOFLBN-ZETCQYMHSA-N 0 0 299.152 1.900 20 50 CDGDRN CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccco1 ZINC000735451161 944661339 /nfs/dbraw/zinc/66/13/39/944661339.db2.gz QUKGWAMLUOLXJN-UHFFFAOYSA-N 0 0 296.290 1.614 20 50 CDGDRN Cc1ccnc(NNC(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000822373990 946073646 /nfs/dbraw/zinc/07/36/46/946073646.db2.gz HGIFCEFRDSBXSY-UHFFFAOYSA-N 0 0 295.306 1.327 20 50 CDGDRN CC[C@H](C(=O)[O-])[N@H+](C)CCCI ZINC001589440941 954714542 /nfs/dbraw/zinc/71/45/42/954714542.db2.gz FFLPVTXLGOHMOW-SSDOTTSWSA-N 0 0 285.125 1.607 20 50 CDGDRN C[C@@H](CBr)C[N@H+](C)CCCC(=O)[O-] ZINC001603118508 972197539 /nfs/dbraw/zinc/19/75/39/972197539.db2.gz BOZVRZLGDJGRLY-QMMMGPOBSA-N 0 0 252.152 1.814 20 50 CDGDRN CSCCC=NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826228047 607887933 /nfs/dbraw/zinc/88/79/33/607887933.db2.gz CMCDIKOKSIWWGI-UHFFFAOYSA-N 0 0 290.352 1.335 20 50 CDGDRN CCC(=O)NN=C(C)c1ccc(-c2nn[nH]n2)s1 ZINC000825034809 608091600 /nfs/dbraw/zinc/09/16/00/608091600.db2.gz QTLSFULBQUYSGE-UHFFFAOYSA-N 0 0 264.314 1.178 20 50 CDGDRN CCNC(=O)N(C)NC(=O)c1cc(C=O)c(C)cc1C ZINC000793784967 678755165 /nfs/dbraw/zinc/75/51/65/678755165.db2.gz FTZMAVQLXCKTBC-UHFFFAOYSA-N 0 0 277.324 1.422 20 50 CDGDRN CC[C@H](C)C(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1F ZINC000820862331 945576141 /nfs/dbraw/zinc/57/61/41/945576141.db2.gz QFLWPUIUTUQIED-QMMMGPOBSA-N 0 0 290.302 1.502 20 50 CDGDRN CCOC(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)s1 ZINC000821314224 945667823 /nfs/dbraw/zinc/66/78/23/945667823.db2.gz JKTCATJOFPJMLD-ALCCZGGFSA-N 0 0 275.293 1.398 20 50 CDGDRN CC(C)[C@@H](C(=O)[O-])C(=O)NNc1cc[nH+]c2ccccc12 ZINC001602970413 971974241 /nfs/dbraw/zinc/97/42/41/971974241.db2.gz SPBPULARUGFIEC-CYBMUJFWSA-N 0 0 287.319 1.457 20 50 CDGDRN C[C@H](CBr)C[N@@H+](CC(=O)[O-])CC1CC1 ZINC001603118985 972199302 /nfs/dbraw/zinc/19/93/02/972199302.db2.gz MCXJEZWTAHWOGJ-MRVPVSSYSA-N 0 0 264.163 1.814 20 50 CDGDRN C[C@H](CBr)C[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC001592211542 977262163 /nfs/dbraw/zinc/26/21/63/977262163.db2.gz MATAFWSOKXTLCU-BDAKNGLRSA-N 0 0 296.230 1.910 20 50 CDGDRN C[NH+](C)CCCCC(=O)NNc1ccccc1C(=O)[O-] ZINC001598218183 990886100 /nfs/dbraw/zinc/88/61/00/990886100.db2.gz YUFJLKLLDURBPX-UHFFFAOYSA-N 0 0 279.340 1.560 20 50 CDGDRN CC=CC=CC(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000825028853 607341880 /nfs/dbraw/zinc/34/18/80/607341880.db2.gz KTTXDWVIHAETNE-MQQKCMAXSA-N 0 0 270.296 1.442 20 50 CDGDRN CCC(C)(C)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000825040161 607346830 /nfs/dbraw/zinc/34/68/30/607346830.db2.gz ZEQYPBRJAMZKAB-UHFFFAOYSA-N 0 0 274.328 1.746 20 50 CDGDRN CCCC=CC(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000825259947 607352480 /nfs/dbraw/zinc/35/24/80/607352480.db2.gz LLVBLJQQDXBBJZ-PLNGDYQASA-N 0 0 272.312 1.666 20 50 CDGDRN Cc1noc(C)c1C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826338439 607354398 /nfs/dbraw/zinc/35/43/98/607354398.db2.gz VPIRZQBNDNRVFV-UHFFFAOYSA-N 0 0 299.294 1.228 20 50 CDGDRN C[C@H](CC(=O)[O-])C(=O)NNc1cc[nH+]c2ccccc12 ZINC000827303904 602298679 /nfs/dbraw/zinc/29/86/79/602298679.db2.gz LBTITJQKFGNTFG-SECBINFHSA-N 0 0 273.292 1.211 20 50 CDGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@H]1CC12CCC2 ZINC000826447887 607719642 /nfs/dbraw/zinc/71/96/42/607719642.db2.gz AGSBKXCNUHVXCS-LLVKDONJSA-N 0 0 284.323 1.500 20 50 CDGDRN CC[C@@H](C)C(=O)NN=C(C)c1ccc(-c2nn[nH]n2)s1 ZINC000825051853 608094850 /nfs/dbraw/zinc/09/48/50/608094850.db2.gz SYTYPFGJPWOQEQ-SSDOTTSWSA-N 0 0 292.368 1.815 20 50 CDGDRN CC(C)CC(=O)NN=Cc1cc(-c2nn[nH]n2)cs1 ZINC000820050568 945336148 /nfs/dbraw/zinc/33/61/48/945336148.db2.gz BVNNRVZCZSGPNO-UHFFFAOYSA-N 0 0 278.341 1.424 20 50 CDGDRN CC(C)CC(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)o1 ZINC000820051923 945338142 /nfs/dbraw/zinc/33/81/42/945338142.db2.gz XZEUQXTYBGNCJW-TWGQIWQCSA-N 0 0 271.280 1.982 20 50 CDGDRN O=C(NN=Cc1ccc(-c2nn[nH]n2)s1)c1cccnc1 ZINC000823273378 946378617 /nfs/dbraw/zinc/37/86/17/946378617.db2.gz LGHDLBOXAJTCSE-UHFFFAOYSA-N 0 0 299.319 1.087 20 50 CDGDRN CC(C)NC(=O)NN=C1CC[NH+](CCCC(=O)[O-])CC1 ZINC000736476637 978337336 /nfs/dbraw/zinc/33/73/36/978337336.db2.gz OCGYVLVXIMXWAL-UHFFFAOYSA-N 0 0 284.360 1.011 20 50 CDGDRN C[C@H]([NH3+])C[C@H](C)NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001592958201 980062006 /nfs/dbraw/zinc/06/20/06/980062006.db2.gz NLRZDAFPGYAOQZ-YUMQZZPRSA-N 0 0 298.318 1.276 20 50 CDGDRN CC[NH+](CC)CCC(=O)NN=C1CC[C@H](C(=O)[O-])C1 ZINC001596262788 983677367 /nfs/dbraw/zinc/67/73/67/983677367.db2.gz IREPDUSEQOMFFZ-JTQLQIEISA-N 0 0 269.345 1.075 20 50 CDGDRN CC[C@@H](C(=O)NNc1ccc(C(=O)[O-])cc1F)[NH+](C)C ZINC001597282256 987354466 /nfs/dbraw/zinc/35/44/66/987354466.db2.gz JDMIPRAJPKWOPT-NSHDSACASA-N 0 0 283.303 1.307 20 50 CDGDRN Cc1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c(C)o1 ZINC000826259690 607346682 /nfs/dbraw/zinc/34/66/82/607346682.db2.gz ACZRSRFCMPILNQ-UHFFFAOYSA-N 0 0 298.306 1.833 20 50 CDGDRN O=C(CCC1CCC1)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826405556 607350625 /nfs/dbraw/zinc/35/06/25/607350625.db2.gz KHQFGQGYQNSIKF-UHFFFAOYSA-N 0 0 286.339 1.890 20 50 CDGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCS1 ZINC000826446142 607354391 /nfs/dbraw/zinc/35/43/91/607354391.db2.gz BHKSBQJUMIADNA-JTQLQIEISA-N 0 0 290.352 1.205 20 50 CDGDRN CSCCCC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826228230 607725970 /nfs/dbraw/zinc/72/59/70/607725970.db2.gz JDQNMUBBTCIMBX-UHFFFAOYSA-N 0 0 292.368 1.453 20 50 CDGDRN N#CC1(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCC1 ZINC000826380043 607730159 /nfs/dbraw/zinc/73/01/59/607730159.db2.gz LBYPUWHPBMXEBY-UHFFFAOYSA-N 0 0 283.295 1.004 20 50 CDGDRN CC[C@H](SC)C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000825159275 607731169 /nfs/dbraw/zinc/73/11/69/607731169.db2.gz MMOKBHDTACSTNI-JTQLQIEISA-N 0 0 292.368 1.451 20 50 CDGDRN N#CC1=CCN(C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826380642 609480074 /nfs/dbraw/zinc/48/00/74/609480074.db2.gz IMWIBQBLEAQPJQ-CQSZACIVSA-N 0 0 296.334 1.056 20 50 CDGDRN CCOC(=O)C(C#N)=CNc1sccc1-c1nn[nH]n1 ZINC000736583556 944848879 /nfs/dbraw/zinc/84/88/79/944848879.db2.gz DLINPYNJOMJCSF-VOTSOKGWSA-N 0 0 290.308 1.311 20 50 CDGDRN CCOC(=O)NN=Cc1c[nH]c2ccc(-c3nn[nH]n3)cc12 ZINC000821334252 945673246 /nfs/dbraw/zinc/67/32/46/945673246.db2.gz JZENYQYHNMLTEC-UHFFFAOYSA-N 0 0 299.294 1.428 20 50 CDGDRN O=C([O-])[C@H]1C[N@H+](C[C@@H](CBr)C2CC2)CCO1 ZINC001594954158 954971848 /nfs/dbraw/zinc/97/18/48/954971848.db2.gz WCZMGXXUYKXVIW-NXEZZACHSA-N 0 0 292.173 1.193 20 50 CDGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[N@H+](CCC(=O)[O-])C1CCOCC1 ZINC001603355507 972801157 /nfs/dbraw/zinc/80/11/57/972801157.db2.gz PTWQQHZCDRPTDE-UFGOTCBOSA-N 0 0 275.776 1.815 20 50 CDGDRN C[C@H](CBr)C[N@@H+]1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001592210432 977253782 /nfs/dbraw/zinc/25/37/82/977253782.db2.gz CALZVOTXJSDPEC-HLTSFMKQSA-N 0 0 280.162 1.191 20 50 CDGDRN CC[C@H](C)C(=O)NN=C1CC[NH+](CCCC(=O)[O-])CC1 ZINC000736868793 978363898 /nfs/dbraw/zinc/36/38/98/978363898.db2.gz LWBVMEKMLNOOIT-NSHDSACASA-N 0 0 283.372 1.465 20 50 CDGDRN CC[NH+](CC)CCC(=O)NN=C1CC[C@@H](CC(=O)[O-])[C@@H]1C ZINC000814757572 978881560 /nfs/dbraw/zinc/88/15/60/978881560.db2.gz IPNJHLLMHKNGIY-RYUDHWBXSA-N 0 0 297.399 1.711 20 50 CDGDRN CCCC[C@H](C(=O)[O-])[N@H+]1C[C@@H]2[C@@H](Br)[C@@H]2C1 ZINC001595630028 981811941 /nfs/dbraw/zinc/81/19/41/981811941.db2.gz TVWPLYGSDQWRJJ-RGOKHQFPSA-N 0 0 276.174 1.955 20 50 CDGDRN CC[NH2+][C@H](C)CNC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001596499468 984250127 /nfs/dbraw/zinc/25/01/27/984250127.db2.gz MAKQZAIKWIZSCI-MRVPVSSYSA-N 0 0 298.318 1.148 20 50 CDGDRN CC(C)(C)[NH2+]CC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001589832147 988305875 /nfs/dbraw/zinc/30/58/75/988305875.db2.gz SLBKIVDEFMGNOL-UHFFFAOYSA-N 0 0 283.303 1.355 20 50 CDGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)C1=CCCC1 ZINC000826447605 607334675 /nfs/dbraw/zinc/33/46/75/607334675.db2.gz 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CC(F)(F)CCC(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000824466479 607339884 /nfs/dbraw/zinc/33/98/84/607339884.db2.gz XISOBCMADFBBRR-UHFFFAOYSA-N 0 0 296.281 1.745 20 50 CDGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1CC=CCC1 ZINC000826446605 607349753 /nfs/dbraw/zinc/34/97/53/607349753.db2.gz ROSOTUATNCLGPX-NSHDSACASA-N 0 0 284.323 1.666 20 50 CDGDRN O=C(C=Cc1ccco1)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826402971 607355457 /nfs/dbraw/zinc/35/54/57/607355457.db2.gz HAGVLXDCCQJNHV-BQYQJAHWSA-N 0 0 296.290 1.616 20 50 CDGDRN CCC[C@H](C(=O)NNc1cccc(C(=O)[O-])c1)[NH+](C)C ZINC000833647505 605730990 /nfs/dbraw/zinc/73/09/90/605730990.db2.gz FNOSJHQZIMPNOW-GFCCVEGCSA-N 0 0 279.340 1.558 20 50 CDGDRN CC(C)C=NNC(=O)COc1ccccc1-c1nn[nH]n1 ZINC000824229691 607882586 /nfs/dbraw/zinc/88/25/86/607882586.db2.gz UUGBROHJYINGGC-UHFFFAOYSA-N 0 0 288.311 1.004 20 50 CDGDRN O=C(NN=Cc1ccoc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000738129435 945200251 /nfs/dbraw/zinc/20/02/51/945200251.db2.gz BVYLXSKHEZVUCH-UHFFFAOYSA-N 0 0 282.263 1.224 20 50 CDGDRN CN(NC(=O)c1ccc(-c2nn[nH]n2)nc1)c1ccccc1 ZINC000736842999 944897333 /nfs/dbraw/zinc/89/73/33/944897333.db2.gz XNCOVEGWBXDUFF-UHFFFAOYSA-N 0 0 295.306 1.043 20 50 CDGDRN COC(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)s1 ZINC000821637750 945764016 /nfs/dbraw/zinc/76/40/16/945764016.db2.gz RWQVKGLPZOYMDS-XQRVVYSFSA-N 0 0 261.266 1.008 20 50 CDGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[NH2+]C[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001589261734 957038209 /nfs/dbraw/zinc/03/82/09/957038209.db2.gz GRRLPBIOXMPYCL-HFSJSTPQSA-N 0 0 287.787 1.862 20 50 CDGDRN C=C(CBr)C[NH2+][C@@H](C(=O)[O-])c1ccnn1C ZINC001588444869 958367405 /nfs/dbraw/zinc/36/74/05/958367405.db2.gz WOKLRQQIISWNKT-SECBINFHSA-N 0 0 288.145 1.087 20 50 CDGDRN CC[NH+](CC)CC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001596260482 983674870 /nfs/dbraw/zinc/67/48/70/983674870.db2.gz XWJSGMTWTAZFME-UHFFFAOYSA-N 0 0 283.303 1.309 20 50 CDGDRN CC[C@H](C(=O)NNc1cccc(F)c1C(=O)[O-])[NH+](C)C ZINC001597314249 987436837 /nfs/dbraw/zinc/43/68/37/987436837.db2.gz 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C[C@H](CBr)C[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC001592210437 977253615 /nfs/dbraw/zinc/25/36/15/977253615.db2.gz CAVSHECPRMUUIH-HTQZYQBOSA-N 0 0 250.136 1.424 20 50 CDGDRN C=C(CBr)C[NH2+][C@@](CC)(COC)C(=O)[O-] ZINC001588606292 983697306 /nfs/dbraw/zinc/69/73/06/983697306.db2.gz VHISYMSAAMXIEX-JTQLQIEISA-N 0 0 280.162 1.407 20 50 CDGDRN CC(C)CCC(=O)NN=C1CC[NH+](CCC(=O)[O-])CC1 ZINC001591214293 992070435 /nfs/dbraw/zinc/07/04/35/992070435.db2.gz YGMGHPFISXBQRB-UHFFFAOYSA-N 0 0 283.372 1.465 20 50 CDGDRN CC1(C)C[C@@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000824795960 607807090 /nfs/dbraw/zinc/80/70/90/607807090.db2.gz JXOTUPLPCDREMS-SNVBAGLBSA-N 0 0 272.312 1.356 20 50 CDGDRN Cc1ccc(NNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cc1 ZINC000826291478 608114769 /nfs/dbraw/zinc/11/47/69/608114769.db2.gz IJNPUDZZVNJBEG-UHFFFAOYSA-N 0 0 283.295 1.260 20 50 CDGDRN CCCNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)cs1 ZINC000821114252 945638355 /nfs/dbraw/zinc/63/83/55/945638355.db2.gz LRLWWBXBFCANPK-XBXARRHUSA-N 0 0 288.336 1.361 20 50 CDGDRN C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001589324515 953889505 /nfs/dbraw/zinc/88/95/05/953889505.db2.gz XEKRBNKYUFEXCS-NXEZZACHSA-N 0 0 292.339 1.096 20 50 CDGDRN CC(C)[C@H](C(=O)[O-])C(=O)NNc1cc[nH+]c2ccccc12 ZINC001602970415 971971620 /nfs/dbraw/zinc/97/16/20/971971620.db2.gz SPBPULARUGFIEC-ZDUSSCGKSA-N 0 0 287.319 1.457 20 50 CDGDRN COC[C@]1(C(=O)[O-])CC[N@H+](C[C@@H]2[C@@H](C)[C@@H]2Cl)C1 ZINC001593966693 956555474 /nfs/dbraw/zinc/55/54/74/956555474.db2.gz MXISIKCDPLBFNW-SVDPJWKOSA-N 0 0 261.749 1.283 20 50 CDGDRN CC(C)(C)CC(=O)NN=C1CC[NH+](CCC(=O)[O-])CC1 ZINC001589740940 988013235 /nfs/dbraw/zinc/01/32/35/988013235.db2.gz SHWBPMJFWRXEIA-UHFFFAOYSA-N 0 0 283.372 1.465 20 50 CDGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cccs1 ZINC000826447058 607350827 /nfs/dbraw/zinc/35/08/27/607350827.db2.gz LGLQQNKXGKVLFU-UHFFFAOYSA-N 0 0 286.320 1.685 20 50 CDGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1CC=CCC1 ZINC000826448154 607727387 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CDGDRN CC[NH+](CC)CCC(=O)NN=C1CC[C@H](CC(=O)[O-])[C@@H]1C ZINC000814757571 978881396 /nfs/dbraw/zinc/88/13/96/978881396.db2.gz IPNJHLLMHKNGIY-NWDGAFQWSA-N 0 0 297.399 1.711 20 50 CDGDRN O=C(CCn1cccc1)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826409786 607344538 /nfs/dbraw/zinc/34/45/38/607344538.db2.gz OZMFWTJWJCGMFW-UHFFFAOYSA-N 0 0 297.322 1.202 20 50 CDGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1C[C@H]1C1CC1 ZINC000826446478 607345139 /nfs/dbraw/zinc/34/51/39/607345139.db2.gz NBVPCOKKQFGSOY-RYUDHWBXSA-N 0 0 284.323 1.356 20 50 CDGDRN CCCCOCC(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000825291794 607348980 /nfs/dbraw/zinc/34/89/80/607348980.db2.gz XSJWSMLLNLPANE-UHFFFAOYSA-N 0 0 290.327 1.127 20 50 CDGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@H]1CCSC1 ZINC000826448235 607725238 /nfs/dbraw/zinc/72/52/38/607725238.db2.gz NIKZKXHKUIVAGH-VIFPVBQESA-N 0 0 290.352 1.063 20 50 CDGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cncc(F)c1 ZINC000826449317 607725265 /nfs/dbraw/zinc/72/52/65/607725265.db2.gz MGZSBOMJKCEHLI-UHFFFAOYSA-N 0 0 299.269 1.158 20 50 CDGDRN C#CCCCCCC(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000823841960 609163648 /nfs/dbraw/zinc/16/36/48/609163648.db2.gz WGWIRBYMJKLJGN-UHFFFAOYSA-N 0 0 298.350 1.894 20 50 CDGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)o1)C(=O)C1CCC1 ZINC000822796806 946189983 /nfs/dbraw/zinc/18/99/83/946189983.db2.gz ZHXLKCZQGZJNQA-RMKNXTFCSA-N 0 0 269.264 1.736 20 50 CDGDRN Cc1c[nH+]ccc1NNC(=O)NCCCCCC(=O)[O-] ZINC001594433690 959202463 /nfs/dbraw/zinc/20/24/63/959202463.db2.gz HSCUYXTWDKUNGP-UHFFFAOYSA-N 0 0 280.328 1.083 20 50 CDGDRN C[C@H](CBr)C[N@@H+]1CCC[C@H]1C(=O)[O-] ZINC001592212320 977267291 /nfs/dbraw/zinc/26/72/91/977267291.db2.gz QJQJYRWZDJMCCA-SFYZADRCSA-N 0 0 250.136 1.566 20 50 CDGDRN CC[NH+](CC)CCC(=O)NN=Cc1ccc(C(=O)[O-])o1 ZINC001596264078 983680699 /nfs/dbraw/zinc/68/06/99/983680699.db2.gz ZHKAFTRADYVGFL-UHFFFAOYSA-N 0 0 281.312 1.160 20 50 CDGDRN CC(C)[C@H](C(=O)NNc1cccc(C(=O)[O-])c1F)[NH+](C)C ZINC001590958212 991045781 /nfs/dbraw/zinc/04/57/81/991045781.db2.gz SEMJPDOGUJQSLD-GFCCVEGCSA-N 0 0 297.330 1.553 20 50 CDGDRN CC[C@@H](C)C=NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825060573 607888417 /nfs/dbraw/zinc/88/84/17/607888417.db2.gz RCPJIDVTSRKYGU-SECBINFHSA-N 0 0 272.312 1.628 20 50 CDGDRN CC[C@H](C)[C@H](C)C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000825051882 609164252 /nfs/dbraw/zinc/16/42/52/609164252.db2.gz UGRPWFPTXRMCGJ-UWVGGRQHSA-N 0 0 288.355 1.992 20 50 CDGDRN CC(C)CC(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1F ZINC000820051977 945338949 /nfs/dbraw/zinc/33/89/49/945338949.db2.gz ZYVTXDMAARBOEV-UHFFFAOYSA-N 0 0 290.302 1.502 20 50 CDGDRN COC(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)cc1F ZINC000821637353 945763636 /nfs/dbraw/zinc/76/36/36/945763636.db2.gz CEFOWEWTTSECLX-WTKPLQERSA-N 0 0 273.227 1.086 20 50 CDGDRN Cc1ccccc1C(=O)NN=Cc1ccc(-c2nn[nH]n2)o1 ZINC000822345640 946060251 /nfs/dbraw/zinc/06/02/51/946060251.db2.gz NTKKPEVDJADIKH-UHFFFAOYSA-N 0 0 296.290 1.532 20 50 CDGDRN CCC(C)(C)[NH2+][C@@H](C)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001594808785 981921298 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C=C(CBr)C[NH2+][C@H](C(=O)[O-])c1ccnn1C ZINC001588444870 958367742 /nfs/dbraw/zinc/36/77/42/958367742.db2.gz WOKLRQQIISWNKT-VIFPVBQESA-N 0 0 288.145 1.087 20 50 CDGDRN C[C@H](CBr)C[NH2+]C1(CC(=O)[O-])CCOCC1 ZINC001592211918 977265518 /nfs/dbraw/zinc/26/55/18/977265518.db2.gz ONQKVJPKJKVMQE-SECBINFHSA-N 0 0 294.189 1.631 20 50 CDGDRN C=C(CC[NH+](C)C)C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001588636520 983755072 /nfs/dbraw/zinc/75/50/72/983755072.db2.gz JYCCXGMAHNLVBQ-UHFFFAOYSA-N 0 0 295.314 1.475 20 50 CDGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cccc(F)c1 ZINC000826447074 607342616 /nfs/dbraw/zinc/34/26/16/607342616.db2.gz LVOKXRIWWDIVEQ-UHFFFAOYSA-N 0 0 298.281 1.763 20 50 CDGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC12CCC2 ZINC000826446691 607344874 /nfs/dbraw/zinc/34/48/74/607344874.db2.gz UYPVPDOSDULMIL-NSHDSACASA-N 0 0 284.323 1.500 20 50 CDGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccncc1 ZINC000826447680 607347505 /nfs/dbraw/zinc/34/75/05/607347505.db2.gz RHFHGBPEBBZZOO-UHFFFAOYSA-N 0 0 281.279 1.019 20 50 CDGDRN Cc1ccccc1NNC(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000737434372 945064316 /nfs/dbraw/zinc/06/43/16/945064316.db2.gz FIPVWYWKQCFEOM-UHFFFAOYSA-N 0 0 295.306 1.327 20 50 CDGDRN O=C(NNc1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738138315 945250015 /nfs/dbraw/zinc/25/00/15/945250015.db2.gz YOWLLMMOMXYXGF-UHFFFAOYSA-N 0 0 299.269 1.158 20 50 CDGDRN CC1=CC(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736230531 944771112 /nfs/dbraw/zinc/77/11/12/944771112.db2.gz SQEUFICHMXDQOH-UHFFFAOYSA-N 0 0 282.307 1.693 20 50 CDGDRN CCCCNC(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)o1 ZINC000821065778 945627573 /nfs/dbraw/zinc/62/75/73/945627573.db2.gz MZTHFTJNPILAEZ-CLFYSBASSA-N 0 0 286.295 1.283 20 50 CDGDRN C=C(CBr)C[N@H+]1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001602712627 971356946 /nfs/dbraw/zinc/35/69/46/971356946.db2.gz VBMNISFFENYWDF-WCBMZHEXSA-N 0 0 276.174 1.980 20 50 CDGDRN CC(C)([NH2+]C[C@H](CBr)C1CC1)C(=O)[O-] ZINC001602953811 971932295 /nfs/dbraw/zinc/93/22/95/971932295.db2.gz RVDYVWUJZARIGI-QMMMGPOBSA-N 0 0 264.163 1.860 20 50 CDGDRN C[C@@H]1C[N@H+](Cc2ccccn2)CCC1=NNC(=O)[O-] ZINC000736814072 978358366 /nfs/dbraw/zinc/35/83/66/978358366.db2.gz HUVAGNHCBGDLST-SNVBAGLBSA-N 0 0 262.313 1.547 20 50 CDGDRN C[C@@H](CNC(=O)NNc1cccc(C(=O)[O-])c1F)[NH+](C)C ZINC001599836892 988758045 /nfs/dbraw/zinc/75/80/45/988758045.db2.gz NPEKAZOCDUCSGZ-QMMMGPOBSA-N 0 0 298.318 1.100 20 50 CDGDRN C[C@]1(C[NH2+]C2CC(C(=O)[O-])C2)C[C@@H]1Br ZINC001594026931 997565976 /nfs/dbraw/zinc/56/59/76/997565976.db2.gz UAQZWHJXUCJGFL-LXKYZYTISA-N 0 0 262.147 1.613 20 50 CDGDRN Cc1nc(C)c(C(=O)NNc2cccc(-c3nn[nH]n3)c2)o1 ZINC000826324014 607338154 /nfs/dbraw/zinc/33/81/54/607338154.db2.gz BCGQAWXOWHPJRE-UHFFFAOYSA-N 0 0 299.294 1.228 20 50 CDGDRN CCCCCC(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000825266716 607355172 /nfs/dbraw/zinc/35/51/72/607355172.db2.gz GSIBVZURTVRPCV-UHFFFAOYSA-N 0 0 274.328 1.890 20 50 CDGDRN CC(C)(C)C=NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824079858 607887060 /nfs/dbraw/zinc/88/70/60/607887060.db2.gz RIRNWRRROPXRIF-UHFFFAOYSA-N 0 0 272.312 1.628 20 50 CDGDRN CSCCC=NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826228467 607888548 /nfs/dbraw/zinc/88/85/48/607888548.db2.gz PTUANGPGJPUBRV-UHFFFAOYSA-N 0 0 290.352 1.335 20 50 CDGDRN CO[C@H](C)C(C)=NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821674158 945792716 /nfs/dbraw/zinc/79/27/16/945792716.db2.gz VXKIAXKDVNXKLY-SECBINFHSA-N 0 0 288.311 1.007 20 50 CDGDRN C=C(CBr)C[NH2+]C1(C(=O)[O-])CCCC1 ZINC001588444643 958364886 /nfs/dbraw/zinc/36/48/86/958364886.db2.gz MFIPYQWCYQKDIR-UHFFFAOYSA-N 0 0 262.147 1.925 20 50 CDGDRN C[C@H](C(=O)[O-])[N@@H+](C[C@H](C)CBr)C1CC1 ZINC001588988141 962774675 /nfs/dbraw/zinc/77/46/75/962774675.db2.gz UOCWNSXWBJGLEJ-HTQZYQBOSA-N 0 0 264.163 1.955 20 50 CDGDRN C[NH+]1CCN(c2ccc(/C=C(/C#N)C(=O)[O-])cc2)CC1 ZINC000771518641 978743952 /nfs/dbraw/zinc/74/39/52/978743952.db2.gz AFOCDZWWKPGLIO-RAXLEYEMSA-N 0 0 271.320 1.430 20 50 CDGDRN C[C@@H]1[C@H](C(=O)NNc2cccc(C(=O)[O-])c2F)CC[N@@H+]1C ZINC001599882475 989503022 /nfs/dbraw/zinc/50/30/22/989503022.db2.gz VGBYLOXCLQZUMI-RKDXNWHRSA-N 0 0 295.314 1.307 20 50 CDGDRN Cc1cccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826296468 607335982 /nfs/dbraw/zinc/33/59/82/607335982.db2.gz YEGMRLKSBDDISJ-UHFFFAOYSA-N 0 0 294.318 1.932 20 50 CDGDRN CC[C@@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000825050367 607346879 /nfs/dbraw/zinc/34/68/79/607346879.db2.gz IJZOOZSDTOAITB-MRVPVSSYSA-N 0 0 260.301 1.356 20 50 CDGDRN N#CC1(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCCC1 ZINC000826379853 607715654 /nfs/dbraw/zinc/71/56/54/607715654.db2.gz FFGVHXPCMDBGHA-UHFFFAOYSA-N 0 0 297.322 1.394 20 50 CDGDRN CCC[C@@H](C)C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000825234041 607722438 /nfs/dbraw/zinc/72/24/38/607722438.db2.gz VRBARPLTTYKDGQ-SECBINFHSA-N 0 0 274.328 1.746 20 50 CDGDRN CC(C)OC(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)o1 ZINC000820137363 945359178 /nfs/dbraw/zinc/35/91/78/945359178.db2.gz JVLWMRFCCFXFHF-VMPITWQZSA-N 0 0 273.252 1.318 20 50 CDGDRN C[C@H](NC=C(C#N)C#N)c1cccc(-c2nn[nH]n2)c1 ZINC000820420138 945445036 /nfs/dbraw/zinc/44/50/36/945445036.db2.gz MUMOWJLIFJLWTP-VIFPVBQESA-N 0 0 265.280 1.448 20 50 CDGDRN N#CC(C#N)=CNc1cc(-c2nn[nH]n2)ccc1Cl ZINC000822796751 946187779 /nfs/dbraw/zinc/18/77/79/946187779.db2.gz XMMKSUJLVGWCKC-UHFFFAOYSA-N 0 0 271.671 1.863 20 50 CDGDRN CCC[N@@H+]1CCC[C@H]1C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001589675217 949990963 /nfs/dbraw/zinc/99/09/63/949990963.db2.gz PUPBMCHSCLPBNG-NSHDSACASA-N 0 0 292.339 1.097 20 50 CDGDRN C[C@@H](CBr)C[N@H+]([C@H](C)C(=O)[O-])C1CC1 ZINC001588988142 962774333 /nfs/dbraw/zinc/77/43/33/962774333.db2.gz UOCWNSXWBJGLEJ-JGVFFNPUSA-N 0 0 264.163 1.955 20 50 CDGDRN CC[NH+](CC)CCC(=O)NN=C1CC(CC(=O)[O-])C1 ZINC001596264094 983680803 /nfs/dbraw/zinc/68/08/03/983680803.db2.gz ZQTWBMRCJASYCI-UHFFFAOYSA-N 0 0 269.345 1.075 20 50 CDGDRN CSCCC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826228107 607715199 /nfs/dbraw/zinc/71/51/99/607715199.db2.gz FBMRKONRQGJHGY-UHFFFAOYSA-N 0 0 278.341 1.063 20 50 CDGDRN CC(C)SCC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000824337924 607725144 /nfs/dbraw/zinc/72/51/44/607725144.db2.gz KDMDYFYQZVRPBK-UHFFFAOYSA-N 0 0 292.368 1.451 20 50 CDGDRN O=C(NN=Cc1cncs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823273110 946372810 /nfs/dbraw/zinc/37/28/10/946372810.db2.gz DSUNQWVMFJCUEN-UHFFFAOYSA-N 0 0 299.319 1.087 20 50 CDGDRN CC[C@H](C)C=NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825061155 947061098 /nfs/dbraw/zinc/06/10/98/947061098.db2.gz WQUZZZGCMSOOPV-VIFPVBQESA-N 0 0 272.312 1.628 20 50 CDGDRN C[NH+](C)CCCOc1ccc(NC(=O)NNC(=O)[O-])cc1 ZINC000737369353 978399748 /nfs/dbraw/zinc/39/97/48/978399748.db2.gz GMPYENBXIXFDHV-UHFFFAOYSA-N 0 0 296.327 1.321 20 50 CDGDRN CC[NH+](CC)CCC(=O)NN=Cc1ccccc1C(=O)[O-] ZINC000916355448 982675427 /nfs/dbraw/zinc/67/54/27/982675427.db2.gz JIGWVOZZQGANCO-UHFFFAOYSA-N 0 0 291.351 1.567 20 50 CDGDRN CCC[N@H+](C)CC(=O)NNc1ccc(C)c(C(=O)[O-])c1 ZINC001595835840 982740411 /nfs/dbraw/zinc/74/04/11/982740411.db2.gz VCXOMVQBDRYUHT-UHFFFAOYSA-N 0 0 279.340 1.478 20 50 CDGDRN CC[NH+](CC)CCNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001596269163 983687513 /nfs/dbraw/zinc/68/75/13/983687513.db2.gz ZCMFDJWWVZDSIV-UHFFFAOYSA-N 0 0 294.355 1.353 20 50 CDGDRN C=C(CBr)C[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC001588605250 983691783 /nfs/dbraw/zinc/69/17/83/983691783.db2.gz FJKCVRJGCKBIJH-VIFPVBQESA-N 0 0 294.214 1.830 20 50 CDGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[NH2+][C@@](C)(Cn1cccn1)C(=O)[O-] ZINC001594190322 998738991 /nfs/dbraw/zinc/73/89/91/998738991.db2.gz GGHILHLAEYUXKT-WYFGTUCQSA-N 0 0 271.748 1.189 20 50 CDGDRN CC[C@@H](C(=O)NNc1ccccc1C(=O)[O-])[NH+](C)C ZINC000833636568 605724511 /nfs/dbraw/zinc/72/45/11/605724511.db2.gz WJRDPULTBVHJPM-NSHDSACASA-N 0 0 265.313 1.168 20 50 CDGDRN C#CCCCCCC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000823840726 609163562 /nfs/dbraw/zinc/16/35/62/609163562.db2.gz CIZGKZUIBLUTDU-UHFFFAOYSA-N 0 0 298.350 1.894 20 50 CDGDRN Cc1c[nH+]ccc1NNC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001594433849 959205854 /nfs/dbraw/zinc/20/58/54/959205854.db2.gz 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945199237 /nfs/dbraw/zinc/19/92/37/945199237.db2.gz OUHMEEKRHVEADZ-UHFFFAOYSA-N 0 0 270.296 1.527 20 50 CDGDRN COC[C@]1(C(=O)[O-])CC[N@H+](C[C@H]2[C@H](Cl)[C@H]2C)C1 ZINC001593966697 956555008 /nfs/dbraw/zinc/55/50/08/956555008.db2.gz MXISIKCDPLBFNW-XNDJQWLSSA-N 0 0 261.749 1.283 20 50 CDGDRN Cc1cc(NNC(=O)Nc2cccnc2C(=O)[O-])cc[nH+]1 ZINC001594325335 958163291 /nfs/dbraw/zinc/16/32/91/958163291.db2.gz QLZDNKQNTVOOFY-UHFFFAOYSA-N 0 0 287.279 1.054 20 50 CDGDRN C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1CCI ZINC001594220190 959365506 /nfs/dbraw/zinc/36/55/06/959365506.db2.gz OKIBXXWMMXDPCZ-RNFRBKRXSA-N 0 0 283.109 1.359 20 50 CDGDRN CC(C)[N@H+](CCI)CC(=O)[O-] ZINC001588918684 962357806 /nfs/dbraw/zinc/35/78/06/962357806.db2.gz AMIXCGCOTKIJPX-UHFFFAOYSA-N 0 0 271.098 1.216 20 50 CDGDRN CC[N@H+](CC(=O)NNc1ccc(CC(=O)[O-])cc1)C1CC1 ZINC001596206464 983592240 /nfs/dbraw/zinc/59/22/40/983592240.db2.gz BPMMLAMZCQQYBJ-UHFFFAOYSA-N 0 0 291.351 1.241 20 50 CDGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[N@@H+]1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001594191366 998748053 /nfs/dbraw/zinc/74/80/53/998748053.db2.gz XBFYMTHBSTXCHS-ZTVLKNOQSA-N 0 0 273.760 1.283 20 50 CDGDRN C[C@H]1CC[N@H+](CC(=O)NNc2ccc(C(=O)[O-])cc2F)C1 ZINC001594414478 999546543 /nfs/dbraw/zinc/54/65/43/999546543.db2.gz HBELGZVQSUMYLD-VIFPVBQESA-N 0 0 295.314 1.309 20 50 CDGDRN CC(C)=CC(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000824178050 607352240 /nfs/dbraw/zinc/35/22/40/607352240.db2.gz LLUHLOTYSZNPOH-UHFFFAOYSA-N 0 0 258.285 1.276 20 50 CDGDRN CCOC(=O)NN=C(C)c1ccc(-c2nn[nH]n2)s1 ZINC000825523472 608091813 /nfs/dbraw/zinc/09/18/13/608091813.db2.gz QLPHTGRBQAXUJV-UHFFFAOYSA-N 0 0 280.313 1.398 20 50 CDGDRN CCNC(=O)NN=C(C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000825476579 609159907 /nfs/dbraw/zinc/15/99/07/609159907.db2.gz OAOVUUBVWUZBFI-UHFFFAOYSA-N 0 0 291.290 1.049 20 50 CDGDRN CCOC(=O)C(C#N)=CNc1ccc(-c2nn[nH]n2)cc1 ZINC000736587235 944848721 /nfs/dbraw/zinc/84/87/21/944848721.db2.gz UHGGGKUEBYEUMS-NTMALXAHSA-N 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CC[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)[NH+](C)C ZINC000833636645 605247718 /nfs/dbraw/zinc/24/77/18/605247718.db2.gz YNLAGZXQXRHZBP-NSHDSACASA-N 0 0 299.758 1.822 20 50 CDGDRN CC(C)(F)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000824161881 608544607 /nfs/dbraw/zinc/54/46/07/608544607.db2.gz AEFLWSZEOKKGFY-UHFFFAOYSA-N 0 0 264.264 1.058 20 50 CDGDRN C=CCNC(=S)NNC(=O)c1cc(C=O)c(C)cc1C ZINC000798304560 704858437 /nfs/dbraw/zinc/85/84/37/704858437.db2.gz AVHSFYMVOFJNSS-UHFFFAOYSA-N 0 0 291.376 1.411 20 50 CDGDRN C=CCOC(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)cc1F ZINC000819751011 945280689 /nfs/dbraw/zinc/28/06/89/945280689.db2.gz LSLWZTSBSWCRCN-WDZFZDKYSA-N 0 0 299.265 1.642 20 50 CDGDRN C=CCNC(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)cc1F ZINC000819751102 945282352 /nfs/dbraw/zinc/28/23/52/945282352.db2.gz PRQJYSNOTZSDGZ-IZZDOVSWSA-N 0 0 298.281 1.215 20 50 CDGDRN CCC(COC)=NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736354218 944807597 /nfs/dbraw/zinc/80/75/97/944807597.db2.gz SBVWHARUSJKQAR-UHFFFAOYSA-N 0 0 288.311 1.009 20 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CDGDRN C[NH+](C)CC1(C(=O)NNc2ccc(CC(=O)[O-])cc2)CC1 ZINC001598202861 990825765 /nfs/dbraw/zinc/82/57/65/990825765.db2.gz KVMNJSKUDROWAP-UHFFFAOYSA-N 0 0 291.351 1.099 20 50 CDGDRN CO[C@@H]1CC[N@H+](C[C@H]2[C@H](Cl)[C@H]2C)[C@@H](C(=O)[O-])C1 ZINC001599125706 997844230 /nfs/dbraw/zinc/84/42/30/997844230.db2.gz RAZMLZGHCWXTKL-VPJKUYQRSA-N 0 0 261.749 1.424 20 50 CDGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[NH2+][C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001594191017 998744599 /nfs/dbraw/zinc/74/45/99/998744599.db2.gz QEMKKHVALDBINK-HAYRHPOISA-N 0 0 283.759 1.879 20 50 CDGDRN Cc1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c(C)[nH]1 ZINC000826259973 607341860 /nfs/dbraw/zinc/34/18/60/607341860.db2.gz OZBHZIDFQAJBRY-UHFFFAOYSA-N 0 0 297.322 1.569 20 50 CDGDRN CC(F)(F)CCC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000824465268 607713478 /nfs/dbraw/zinc/71/34/78/607713478.db2.gz NNCKAUSDFBXSRZ-UHFFFAOYSA-N 0 0 296.281 1.745 20 50 CDGDRN CS[C@@H](C)C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826224938 607713619 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ZINC000826291713 947846868 /nfs/dbraw/zinc/84/68/68/947846868.db2.gz SCCNRVAWCKBRSC-UHFFFAOYSA-N 0 0 283.295 1.260 20 50 CDGDRN C[C@H](CBr)C[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC001588988212 962776212 /nfs/dbraw/zinc/77/62/12/962776212.db2.gz WQTYAIICPYJQFW-RKDXNWHRSA-N 0 0 264.163 1.814 20 50 CDGDRN C[C@@H](CBr)C[N@@H+]1CCC[C@H]1CC(=O)[O-] ZINC001592212402 977267631 /nfs/dbraw/zinc/26/76/31/977267631.db2.gz RAKNPHRNMPNEOS-IUCAKERBSA-N 0 0 264.163 1.957 20 50 CDGDRN CC(=NNC(=O)C(=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001589010584 984980665 /nfs/dbraw/zinc/98/06/65/984980665.db2.gz CQMCPYMYWFUNKO-CYBMUJFWSA-N 0 0 289.335 1.085 20 50 CDGDRN C[C@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)[O-])c2)CC[NH2+]1 ZINC001594258385 998995434 /nfs/dbraw/zinc/99/54/34/998995434.db2.gz RULOERFIFHHKHH-ONGXEEELSA-N 0 0 292.339 1.151 20 50 CDGDRN CC1CC[NH+](CCC(=O)NN=C2CC(CC(=O)[O-])C2)CC1 ZINC001594419361 999565532 /nfs/dbraw/zinc/56/55/32/999565532.db2.gz ZDCMROCHVWLOHY-UHFFFAOYSA-N 0 0 295.383 1.465 20 50 CDGDRN 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CDGDRN CC(C)(C)C(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1F ZINC000819899048 945310026 /nfs/dbraw/zinc/31/00/26/945310026.db2.gz MRYSYHSDLXFXAF-UHFFFAOYSA-N 0 0 290.302 1.502 20 50 CDGDRN C[C@H]1C[C@H]1C=NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820664821 945514468 /nfs/dbraw/zinc/51/44/68/945514468.db2.gz CLTPMNFRGHPIHI-KWQFWETISA-N 0 0 270.296 1.238 20 50 CDGDRN C[C@@H](CBr)C[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC001603119270 972200732 /nfs/dbraw/zinc/20/07/32/972200732.db2.gz WQTYAIICPYJQFW-IUCAKERBSA-N 0 0 264.163 1.814 20 50 CDGDRN CCC(C)(C)[NH2+][C@H](C)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001594808786 981921395 /nfs/dbraw/zinc/92/13/95/981921395.db2.gz AVJMJDUJTJUEEZ-SNVBAGLBSA-N 0 0 293.367 1.995 20 50 CDGDRN CC[N@H+](CC(=O)NNc1ccccc1C(=O)[O-])C1CC1 ZINC001596206524 983592764 /nfs/dbraw/zinc/59/27/64/983592764.db2.gz GIZCBYKACWBSDR-UHFFFAOYSA-N 0 0 277.324 1.312 20 50 CDGDRN C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833605005 604805228 /nfs/dbraw/zinc/80/52/28/604805228.db2.gz 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/nfs/dbraw/zinc/30/13/61/988301361.db2.gz AEKHGYDVPFZVIV-UHFFFAOYSA-N 0 0 297.330 1.745 20 50 CDGDRN CSC=CC(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826227505 607352748 /nfs/dbraw/zinc/35/27/48/607352748.db2.gz SBBHMMYQUBTWFW-VOTSOKGWSA-N 0 0 276.325 1.187 20 50 CDGDRN O=C(C=C1CCCC1)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826400041 607356595 /nfs/dbraw/zinc/35/65/95/607356595.db2.gz NMUOOLVGQUFDBG-UHFFFAOYSA-N 0 0 284.323 1.810 20 50 CDGDRN CC(=NNC(=O)C(C)C)c1ccc(-c2nn[nH]n2)cc1F ZINC000823948814 609275299 /nfs/dbraw/zinc/27/52/99/609275299.db2.gz ZIBAIDNKHWPKLI-UHFFFAOYSA-N 0 0 290.302 1.502 20 50 CDGDRN CC(C)CC(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)o1 ZINC000820051922 945339679 /nfs/dbraw/zinc/33/96/79/945339679.db2.gz XZEUQXTYBGNCJW-RMKNXTFCSA-N 0 0 271.280 1.982 20 50 CDGDRN CCC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000736301775 944791983 /nfs/dbraw/zinc/79/19/83/944791983.db2.gz AVGZNHIFPZRQQC-UHFFFAOYSA-N 0 0 284.323 1.773 20 50 CDGDRN O=C([O-])C1(C(=O)NNc2cc[nH+]c3ccccc23)CC=CC1 ZINC001594867940 954322573 /nfs/dbraw/zinc/32/25/73/954322573.db2.gz VWEYRYMQWCFWNB-UHFFFAOYSA-N 0 0 297.314 1.521 20 50 CDGDRN C[C@H]1[C@H](C[N@H+](CCC(=O)[O-])C2CCOCC2)[C@H]1Cl ZINC001603355505 972801501 /nfs/dbraw/zinc/80/15/01/972801501.db2.gz PTWQQHZCDRPTDE-GAFUQQFSSA-N 0 0 275.776 1.815 20 50 CDGDRN C=C(CBr)C[NH2+][C@@H](CC(=O)[O-])C1CC1 ZINC001588605952 983695585 /nfs/dbraw/zinc/69/55/85/983695585.db2.gz RRZJYKTUYKKWRF-VIFPVBQESA-N 0 0 262.147 1.780 20 50 CDGDRN O=C(C=Cc1ccco1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826403498 607336395 /nfs/dbraw/zinc/33/63/95/607336395.db2.gz UEZLTCAFRSNHCF-VOTSOKGWSA-N 0 0 296.290 1.616 20 50 CDGDRN CC1CC(C#N)(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824869255 607352702 /nfs/dbraw/zinc/35/27/02/607352702.db2.gz ZMUUAPFKBMEGPN-UHFFFAOYSA-N 0 0 297.322 1.250 20 50 CDGDRN Cc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000826282134 607352802 /nfs/dbraw/zinc/35/28/02/607352802.db2.gz ZLFPKUGUTFBVEC-UHFFFAOYSA-N 0 0 284.279 1.525 20 50 CDGDRN O=C(C[C@H]1C=CCC1)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826403911 607353163 /nfs/dbraw/zinc/35/31/63/607353163.db2.gz IAJCRKNKELVKRU-JTQLQIEISA-N 0 0 284.323 1.666 20 50 CDGDRN CCCCC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000825260039 607715371 /nfs/dbraw/zinc/71/53/71/607715371.db2.gz MJAMYVHTPJWVFK-UHFFFAOYSA-N 0 0 260.301 1.500 20 50 CDGDRN CC(C)CCC(=O)NN=Cc1ccccc1-c1nn[nH]n1 ZINC000824242866 607888445 /nfs/dbraw/zinc/88/84/45/607888445.db2.gz CHJZYVDSOPKENS-UHFFFAOYSA-N 0 0 286.339 1.753 20 50 CDGDRN N#CC1=CCN(Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826381008 609485016 /nfs/dbraw/zinc/48/50/16/609485016.db2.gz USTCAVQJKJJTEL-UHFFFAOYSA-N 0 0 284.298 1.661 20 50 CDGDRN CC(C)CC(=O)NN=Cc1ccc(-c2nn[nH]n2)s1 ZINC000820051291 945339773 /nfs/dbraw/zinc/33/97/73/945339773.db2.gz MJNBQRSPOWVJFS-UHFFFAOYSA-N 0 0 278.341 1.424 20 50 CDGDRN CCC(COC)=NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736355165 944809332 /nfs/dbraw/zinc/80/93/32/944809332.db2.gz YPFYWELNWSVASC-UHFFFAOYSA-N 0 0 288.311 1.009 20 50 CDGDRN CC(CC1CC1)=NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820235957 945393479 /nfs/dbraw/zinc/39/34/79/945393479.db2.gz VPLCXWWBHMTDSD-UHFFFAOYSA-N 0 0 284.323 1.773 20 50 CDGDRN COc1cc(-c2nn[nH]n2)ccc1OC/C=C\C#N ZINC000821701112 945832975 /nfs/dbraw/zinc/83/29/75/945832975.db2.gz BNTLRIPPDIVKKD-IHWYPQMZSA-N 0 0 257.253 1.334 20 50 CDGDRN O=C(NN=Cc1ccoc1)c1cccc(-c2nn[nH]n2)c1 ZINC000738129408 945200425 /nfs/dbraw/zinc/20/04/25/945200425.db2.gz AVCRGHLUTCGITJ-UHFFFAOYSA-N 0 0 282.263 1.224 20 50 CDGDRN CCOC(=O)C(C#N)=CNc1cccc(-c2nn[nH]n2)c1 ZINC000018991506 944604424 /nfs/dbraw/zinc/60/44/24/944604424.db2.gz KGYULZASTNUMML-CSKARUKUSA-N 0 0 284.279 1.249 20 50 CDGDRN CC(C)(C)CC(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735594670 944677916 /nfs/dbraw/zinc/67/79/16/944677916.db2.gz VNIKGXOGFGKPQX-UHFFFAOYSA-N 0 0 286.339 1.753 20 50 CDGDRN CCOCC(C)=NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736609193 944853808 /nfs/dbraw/zinc/85/38/08/944853808.db2.gz OWHYXZXBXQXSAQ-UHFFFAOYSA-N 0 0 288.311 1.009 20 50 CDGDRN CCOc1cc(-c2nn[nH]n2)ccc1OC/C=C/C#N ZINC000821395577 945688703 /nfs/dbraw/zinc/68/87/03/945688703.db2.gz ZOTCNDKUFUAZFS-ONEGZZNKSA-N 0 0 271.280 1.724 20 50 CDGDRN C[NH+](C)CCN(CC(=O)[O-])C(=O)c1cccc(CCl)c1 ZINC001593698719 954089215 /nfs/dbraw/zinc/08/92/15/954089215.db2.gz DJGKIFHARVOBIJ-UHFFFAOYSA-N 0 0 298.770 1.514 20 50 CDGDRN Cc1cc(NNC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)cc[nH+]1 ZINC001594325142 958159937 /nfs/dbraw/zinc/15/99/37/958159937.db2.gz BUFBWTXZVZDTHE-UHFFFAOYSA-N 0 0 291.351 1.392 20 50 CDGDRN C[C@@H](CBr)C[N@@H+]1CCC[C@@H]1C(=O)[O-] ZINC001588988042 962773232 /nfs/dbraw/zinc/77/32/32/962773232.db2.gz QJQJYRWZDJMCCA-JGVFFNPUSA-N 0 0 250.136 1.566 20 50 CDGDRN O=C([O-])[C@]1([NH2+]C[C@H](CBr)C2CC2)CCOC1 ZINC001605957946 972923711 /nfs/dbraw/zinc/92/37/11/972923711.db2.gz FZOPDNMFOIFZEW-ONGXEEELSA-N 0 0 292.173 1.241 20 50 CDGDRN CC(C)[C@H](C(=O)NNc1ccc(C(=O)[O-])c(F)c1)[NH+](C)C ZINC001591852137 976133522 /nfs/dbraw/zinc/13/35/22/976133522.db2.gz GAUDPFAFEKQGDZ-GFCCVEGCSA-N 0 0 297.330 1.553 20 50 CDGDRN CC[NH+](CC)CCC(=O)NN=Cc1cc(C(=O)[O-])c(C)o1 ZINC000901155090 980259267 /nfs/dbraw/zinc/25/92/67/980259267.db2.gz ZTVDMVBNRLWUMM-UHFFFAOYSA-N 0 0 295.339 1.468 20 50 CDGDRN CC[NH+](CC)CC(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001596260286 983673950 /nfs/dbraw/zinc/67/39/50/983673950.db2.gz PBYBIXKYCBXQBB-UHFFFAOYSA-N 0 0 283.303 1.309 20 50 CDGDRN C[NH+](C)C1(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)CCC1 ZINC001598178087 990732481 /nfs/dbraw/zinc/73/24/81/990732481.db2.gz BISYOXOLDALAMI-UHFFFAOYSA-N 0 0 295.314 1.451 20 50 CDGDRN C[NH+](C)CCCCC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001598216360 990877944 /nfs/dbraw/zinc/87/79/44/990877944.db2.gz AYUWOKHTXAVWFW-UHFFFAOYSA-N 0 0 297.330 1.699 20 50 CDGDRN CC(C)(C)C=CC(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000824077449 607355787 /nfs/dbraw/zinc/35/57/87/607355787.db2.gz BILGJZMKFFDWOT-HJWRWDBZSA-N 0 0 286.339 1.912 20 50 CDGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccccc1O ZINC000826448985 607464375 /nfs/dbraw/zinc/46/43/75/607464375.db2.gz WIKHDGJAWNPDKL-UHFFFAOYSA-N 0 0 296.290 1.329 20 50 CDGDRN CCO[C@H](CC)C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000825576024 607729467 /nfs/dbraw/zinc/72/94/67/607729467.db2.gz BKFBBNLBHIAOOI-LLVKDONJSA-N 0 0 290.327 1.125 20 50 CDGDRN O=C(NNc1cccc(F)c1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826449537 607756639 /nfs/dbraw/zinc/75/66/39/607756639.db2.gz XYIWLPCCSKNFBQ-UHFFFAOYSA-N 0 0 287.258 1.091 20 50 CDGDRN CC[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1)[NH+](C)C ZINC000833635993 605735412 /nfs/dbraw/zinc/73/54/12/605735412.db2.gz DAZIJRZYDJTURX-NSHDSACASA-N 0 0 265.313 1.168 20 50 CDGDRN CC[C@H](C)C(=O)NN=Cc1ccccc1-c1nn[nH]n1 ZINC000825049829 607886828 /nfs/dbraw/zinc/88/68/28/607886828.db2.gz FLONVCAQCZIHDK-VIFPVBQESA-N 0 0 272.312 1.363 20 50 CDGDRN COC(=O)C(C#N)=Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000826098485 607915445 /nfs/dbraw/zinc/91/54/45/607915445.db2.gz GEUAQXDBYIEUSM-YWEYNIOJSA-N 0 0 273.227 1.086 20 50 CDGDRN O=C(NN=Cc1ccco1)c1cccc(-c2nn[nH]n2)c1 ZINC000738129463 945200537 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COc1ccc([C@H]([NH2+]C[C@@H]2[C@@H](C)[C@@H]2Cl)C(=O)[O-])cc1O ZINC001599529776 997629982 /nfs/dbraw/zinc/62/99/82/997629982.db2.gz SBKCNQBJWWYNTN-HVJKSMARSA-N 0 0 299.754 1.989 20 50 CDGDRN CO[C@@H]1CC[N@H+](C[C@@H](C)CBr)[C@H](C(=O)[O-])C1 ZINC001599125750 997845149 /nfs/dbraw/zinc/84/51/49/997845149.db2.gz SIUCQGMDRJKTBV-AEJSXWLSSA-N 0 0 294.189 1.581 20 50 CDGDRN O=C(CC(F)(F)F)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826404178 607350520 /nfs/dbraw/zinc/35/05/20/607350520.db2.gz RARQDCJUWBLAFG-UHFFFAOYSA-N 0 0 286.217 1.262 20 50 CDGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccccn1 ZINC000826448751 607712915 /nfs/dbraw/zinc/71/29/15/607712915.db2.gz JQINQKYBZZJKOE-UHFFFAOYSA-N 0 0 281.279 1.019 20 50 CDGDRN CC[C@H](C)[C@H]([NH2+]CCCI)C(=O)[O-] ZINC000820465489 955470804 /nfs/dbraw/zinc/47/08/04/955470804.db2.gz JJVMSHNFMBFAFV-YUMQZZPRSA-N 0 0 299.152 1.900 20 50 CDGDRN O=C([O-])C[C@@H]1CCC[N@H+](CCI)C1 ZINC001611413857 971034772 /nfs/dbraw/zinc/03/47/72/971034772.db2.gz MJPXKGAFTWMCMQ-QMMMGPOBSA-N 0 0 297.136 1.608 20 50 CDGDRN CC(C)CCC(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735796166 944701885 /nfs/dbraw/zinc/70/18/85/944701885.db2.gz VTKXSPWUWNNCHQ-UHFFFAOYSA-N 0 0 286.339 1.753 20 50 CDGDRN CCCCOC(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)o1 ZINC000821071355 945628182 /nfs/dbraw/zinc/62/81/82/945628182.db2.gz BRLRKKSGJBIKGR-CLFYSBASSA-N 0 0 287.279 1.710 20 50 CDGDRN Cc1cncc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826319162 607355391 /nfs/dbraw/zinc/35/53/91/607355391.db2.gz QJQDRTHKBCTRSF-UHFFFAOYSA-N 0 0 295.306 1.327 20 50 CDGDRN CC1(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824784670 607726176 /nfs/dbraw/zinc/72/61/76/607726176.db2.gz YFIXXSKRUVGQJJ-UHFFFAOYSA-N 0 0 258.285 1.110 20 50 CDGDRN CC[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1)[NH+](CC)CC ZINC000833636104 605774983 /nfs/dbraw/zinc/77/49/83/605774983.db2.gz HPVZFLOLJSTQMW-ZDUSSCGKSA-N 0 0 293.367 1.948 20 50 CDGDRN CC(C)OC(=O)C(C#N)=Cc1ccccc1-c1nn[nH]n1 ZINC000824304844 607883515 /nfs/dbraw/zinc/88/35/15/607883515.db2.gz 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