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/nfs/dbraw/zinc/22/04/07/587220407.db2.gz ULFKJYZLZDOXQQ-UHFFFAOYSA-N -1 1 249.230 -0.199 20 0 BBADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC(O)C1 ZINC000823478818 587225265 /nfs/dbraw/zinc/22/52/65/587225265.db2.gz UFERQHBUTFRYOM-UHFFFAOYSA-N -1 1 246.230 -0.922 20 0 BBADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC(O)C1 ZINC000823478818 587225264 /nfs/dbraw/zinc/22/52/64/587225264.db2.gz UFERQHBUTFRYOM-UHFFFAOYSA-N -1 1 246.230 -0.922 20 0 BBADMM CC(=O)NC1CCN(CCNC(=O)[O-])CC1 ZINC000823574590 587231556 /nfs/dbraw/zinc/23/15/56/587231556.db2.gz HSDLGYFHUCUUFD-UHFFFAOYSA-N -1 1 229.280 -0.146 20 0 BBADMM OCC(CO)Nc1cccc(-c2nn[n-]n2)n1 ZINC000823705327 587237216 /nfs/dbraw/zinc/23/72/16/587237216.db2.gz FRTXWGDSEUVSCZ-UHFFFAOYSA-N -1 1 236.235 -0.973 20 0 BBADMM OCC(CO)Nc1cccc(-c2nnn[n-]2)n1 ZINC000823705327 587237214 /nfs/dbraw/zinc/23/72/14/587237214.db2.gz FRTXWGDSEUVSCZ-UHFFFAOYSA-N -1 1 236.235 -0.973 20 0 BBADMM OCC1(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC000823715884 587237839 /nfs/dbraw/zinc/23/78/39/587237839.db2.gz YGFZLXWSZRKPGC-UHFFFAOYSA-N -1 1 247.262 -0.159 20 0 BBADMM OCC1(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC000823715884 587237837 /nfs/dbraw/zinc/23/78/37/587237837.db2.gz YGFZLXWSZRKPGC-UHFFFAOYSA-N -1 1 247.262 -0.159 20 0 BBADMM OCCCCCn1cnc(-c2nn[n-]n2)n1 ZINC000823717211 587237673 /nfs/dbraw/zinc/23/76/73/587237673.db2.gz ACDSXFVIZQNBBL-UHFFFAOYSA-N -1 1 223.240 -0.379 20 0 BBADMM CC(C)(C)N(CCNC(=O)[O-])CC(N)=O ZINC000823766631 587239856 /nfs/dbraw/zinc/23/98/56/587239856.db2.gz RWIWSBCMJRXMBL-UHFFFAOYSA-N -1 1 217.269 -0.160 20 0 BBADMM c1nc(-c2nn[n-]n2)nn1C[C@H]1CCCOC1 ZINC000823815274 587241375 /nfs/dbraw/zinc/24/13/75/587241375.db2.gz CGDAQVNMIICXSX-SSDOTTSWSA-N -1 1 235.251 -0.115 20 0 BBADMM c1nc(-c2nn[n-]n2)nn1C[C@@H]1CCCOC1 ZINC000823815282 587241827 /nfs/dbraw/zinc/24/18/27/587241827.db2.gz CGDAQVNMIICXSX-ZETCQYMHSA-N -1 1 235.251 -0.115 20 0 BBADMM CC(C)(CC(=O)NCc1c[nH]nn1)NC(=O)[O-] ZINC000823881638 603738097 /nfs/dbraw/zinc/73/80/97/603738097.db2.gz IBOXDHZNSZCYRF-UHFFFAOYSA-N -1 1 241.251 -0.143 20 0 BBADMM CC(C)(CNC(=O)[O-])C(=O)NCc1c[nH]nn1 ZINC000823960399 587247235 /nfs/dbraw/zinc/24/72/35/587247235.db2.gz DLZKKZXTBPSAEJ-UHFFFAOYSA-N -1 1 241.251 -0.285 20 0 BBADMM CC(C)(CNC(=O)[O-])C(=O)NCc1nnc[nH]1 ZINC000823960532 587247376 /nfs/dbraw/zinc/24/73/76/587247376.db2.gz LBZQFUAWOAJFMH-UHFFFAOYSA-N -1 1 241.251 -0.285 20 0 BBADMM CC(C)(CNC(=O)[O-])C(=O)NCc1nn[nH]n1 ZINC000823960581 587247162 /nfs/dbraw/zinc/24/71/62/587247162.db2.gz NAOCSOJNEVSDCY-UHFFFAOYSA-N -1 1 242.239 -0.890 20 0 BBADMM CC(=O)NCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000823994945 608389374 /nfs/dbraw/zinc/38/93/74/608389374.db2.gz UEJDCXGPWQYSJH-UHFFFAOYSA-N -1 1 248.250 -0.795 20 0 BBADMM CC(=O)NCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000823994945 608389371 /nfs/dbraw/zinc/38/93/71/608389371.db2.gz UEJDCXGPWQYSJH-UHFFFAOYSA-N -1 1 248.250 -0.795 20 0 BBADMM CC(=O)NCCCn1ccnc1-c1nn[n-]n1 ZINC000823994999 608889579 /nfs/dbraw/zinc/88/95/79/608889579.db2.gz WLESTZUSWKBMIO-UHFFFAOYSA-N -1 1 235.251 -0.411 20 0 BBADMM CC(=O)NCCCn1ccnc1-c1nnn[n-]1 ZINC000823994999 608889577 /nfs/dbraw/zinc/88/95/77/608889577.db2.gz WLESTZUSWKBMIO-UHFFFAOYSA-N -1 1 235.251 -0.411 20 0 BBADMM CC(C)(CNC(=O)[O-])NC(=O)c1nc[nH]n1 ZINC000823996693 605472087 /nfs/dbraw/zinc/47/20/87/605472087.db2.gz CUOFHOKGZOHRSP-UHFFFAOYSA-N -1 1 227.224 -0.419 20 0 BBADMM CC(C)(CNC(=O)[O-])NC(=O)c1ncn[nH]1 ZINC000823996693 605472086 /nfs/dbraw/zinc/47/20/86/605472086.db2.gz CUOFHOKGZOHRSP-UHFFFAOYSA-N -1 1 227.224 -0.419 20 0 BBADMM CC(C)(CNC(=O)c1nc[nH]n1)NC(=O)[O-] ZINC000824005778 605471993 /nfs/dbraw/zinc/47/19/93/605471993.db2.gz HVRKDEVKUJREKQ-UHFFFAOYSA-N -1 1 227.224 -0.419 20 0 BBADMM CC(C)(CNC(=O)c1ncn[nH]1)NC(=O)[O-] ZINC000824005778 605471990 /nfs/dbraw/zinc/47/19/90/605471990.db2.gz HVRKDEVKUJREKQ-UHFFFAOYSA-N -1 1 227.224 -0.419 20 0 BBADMM CC(C)(NC(=O)[O-])C(=O)NCc1c[nH]nn1 ZINC000824024950 587249175 /nfs/dbraw/zinc/24/91/75/587249175.db2.gz KFJRYIYSMSBAOF-UHFFFAOYSA-N -1 1 227.224 -0.533 20 0 BBADMM CCCONC(=O)CCCc1nn[n-]n1 ZINC000824041351 587250726 /nfs/dbraw/zinc/25/07/26/587250726.db2.gz IUTIXCONEGDLPC-UHFFFAOYSA-N -1 1 213.241 -0.020 20 0 BBADMM C[C@@H](C(N)=O)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000824059045 587252663 /nfs/dbraw/zinc/25/26/63/587252663.db2.gz LMJJRINRVDHINJ-LURJTMIESA-N -1 1 247.262 -0.428 20 0 BBADMM C[C@@H](C(N)=O)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000824059045 587252661 /nfs/dbraw/zinc/25/26/61/587252661.db2.gz LMJJRINRVDHINJ-LURJTMIESA-N -1 1 247.262 -0.428 20 0 BBADMM C[C@H](C(N)=O)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000824059046 587252614 /nfs/dbraw/zinc/25/26/14/587252614.db2.gz LMJJRINRVDHINJ-ZCFIWIBFSA-N -1 1 247.262 -0.428 20 0 BBADMM C[C@H](C(N)=O)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000824059046 587252612 /nfs/dbraw/zinc/25/26/12/587252612.db2.gz LMJJRINRVDHINJ-ZCFIWIBFSA-N -1 1 247.262 -0.428 20 0 BBADMM CC(C)[C@H](CNC(=O)c1nc[nH]n1)NC(=O)[O-] ZINC000824123768 587257059 /nfs/dbraw/zinc/25/70/59/587257059.db2.gz QXSROOVBDXEXSJ-LURJTMIESA-N -1 1 241.251 -0.173 20 0 BBADMM CC(C)[C@H](CNC(=O)c1ncn[nH]1)NC(=O)[O-] ZINC000824123768 587257058 /nfs/dbraw/zinc/25/70/58/587257058.db2.gz QXSROOVBDXEXSJ-LURJTMIESA-N -1 1 241.251 -0.173 20 0 BBADMM CC(C)[C@@H](CNC(=O)c1nc[nH]n1)NC(=O)[O-] ZINC000824123769 587257387 /nfs/dbraw/zinc/25/73/87/587257387.db2.gz QXSROOVBDXEXSJ-ZCFIWIBFSA-N -1 1 241.251 -0.173 20 0 BBADMM CC(C)[C@@H](CNC(=O)c1ncn[nH]1)NC(=O)[O-] ZINC000824123769 587257386 /nfs/dbraw/zinc/25/73/86/587257386.db2.gz QXSROOVBDXEXSJ-ZCFIWIBFSA-N -1 1 241.251 -0.173 20 0 BBADMM CC(C)[C@@H](NC(=O)[O-])C(=O)NCc1c[nH]nn1 ZINC000824137709 587257609 /nfs/dbraw/zinc/25/76/09/587257609.db2.gz UPAZCYGFWROVPA-SSDOTTSWSA-N -1 1 241.251 -0.287 20 0 BBADMM CC(C)[C@H](NC(=O)[O-])C(=O)NCc1c[nH]nn1 ZINC000824137710 587257467 /nfs/dbraw/zinc/25/74/67/587257467.db2.gz UPAZCYGFWROVPA-ZETCQYMHSA-N -1 1 241.251 -0.287 20 0 BBADMM CC(C)(CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824163034 587258914 /nfs/dbraw/zinc/25/89/14/587258914.db2.gz WUHNWLOQVHCBRS-UHFFFAOYSA-N -1 1 235.251 -0.161 20 0 BBADMM CC(C)(CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824163034 587258912 /nfs/dbraw/zinc/25/89/12/587258912.db2.gz WUHNWLOQVHCBRS-UHFFFAOYSA-N -1 1 235.251 -0.161 20 0 BBADMM CC(C)(O)Cn1ccnc1-c1nn[n-]n1 ZINC000824171842 587259396 /nfs/dbraw/zinc/25/93/96/587259396.db2.gz FJOWFLZHAPQNRL-UHFFFAOYSA-N -1 1 208.225 -0.166 20 0 BBADMM CC(C)(O)Cn1ccnc1-c1nnn[n-]1 ZINC000824171842 587259394 /nfs/dbraw/zinc/25/93/94/587259394.db2.gz FJOWFLZHAPQNRL-UHFFFAOYSA-N -1 1 208.225 -0.166 20 0 BBADMM CC(C)(O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824172373 587259432 /nfs/dbraw/zinc/25/94/32/587259432.db2.gz MBGBZJBGTSIPBJ-UHFFFAOYSA-N -1 1 235.251 -0.161 20 0 BBADMM CC(C)(O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824172373 587259431 /nfs/dbraw/zinc/25/94/31/587259431.db2.gz MBGBZJBGTSIPBJ-UHFFFAOYSA-N -1 1 235.251 -0.161 20 0 BBADMM CCO[N-]C(=O)CNC(=O)[C@@H](C)N(C)C ZINC000824220178 587261186 /nfs/dbraw/zinc/26/11/86/587261186.db2.gz FKGYRESFNAFUIQ-SSDOTTSWSA-N -1 1 217.269 -0.880 20 0 BBADMM C[C@H](CC(N)=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824390481 587268928 /nfs/dbraw/zinc/26/89/28/587268928.db2.gz AMHMPRMDNPYDTQ-RXMQYKEDSA-N -1 1 248.250 -0.668 20 0 BBADMM C[C@H](CC(N)=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824390481 587268926 /nfs/dbraw/zinc/26/89/26/587268926.db2.gz AMHMPRMDNPYDTQ-RXMQYKEDSA-N -1 1 248.250 -0.668 20 0 BBADMM C[C@@H](CC(N)=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824390485 587269130 /nfs/dbraw/zinc/26/91/30/587269130.db2.gz AMHMPRMDNPYDTQ-YFKPBYRVSA-N -1 1 248.250 -0.668 20 0 BBADMM C[C@@H](CC(N)=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824390485 587269129 /nfs/dbraw/zinc/26/91/29/587269129.db2.gz AMHMPRMDNPYDTQ-YFKPBYRVSA-N -1 1 248.250 -0.668 20 0 BBADMM C[C@@H](CCO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824406440 587269692 /nfs/dbraw/zinc/26/96/92/587269692.db2.gz JXOVJGYETKGZRJ-LURJTMIESA-N -1 1 235.251 -0.161 20 0 BBADMM C[C@@H](CCO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824406440 587269690 /nfs/dbraw/zinc/26/96/90/587269690.db2.gz JXOVJGYETKGZRJ-LURJTMIESA-N -1 1 235.251 -0.161 20 0 BBADMM C[C@H](CCO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824406441 587269569 /nfs/dbraw/zinc/26/95/69/587269569.db2.gz JXOVJGYETKGZRJ-ZCFIWIBFSA-N -1 1 235.251 -0.161 20 0 BBADMM C[C@H](CCO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824406441 587269568 /nfs/dbraw/zinc/26/95/68/587269568.db2.gz JXOVJGYETKGZRJ-ZCFIWIBFSA-N -1 1 235.251 -0.161 20 0 BBADMM C[C@H](CO)Cn1ccnc1-c1nn[n-]n1 ZINC000824440534 608889630 /nfs/dbraw/zinc/88/96/30/608889630.db2.gz FEDRSHMCWOBUNM-LURJTMIESA-N -1 1 208.225 -0.308 20 0 BBADMM C[C@H](CO)Cn1ccnc1-c1nnn[n-]1 ZINC000824440534 608889627 /nfs/dbraw/zinc/88/96/27/608889627.db2.gz FEDRSHMCWOBUNM-LURJTMIESA-N -1 1 208.225 -0.308 20 0 BBADMM C[C@@H](CO)Cn1ccnc1-c1nn[n-]n1 ZINC000824440535 608889879 /nfs/dbraw/zinc/88/98/79/608889879.db2.gz FEDRSHMCWOBUNM-ZCFIWIBFSA-N -1 1 208.225 -0.308 20 0 BBADMM C[C@@H](CO)Cn1ccnc1-c1nnn[n-]1 ZINC000824440535 608889877 /nfs/dbraw/zinc/88/98/77/608889877.db2.gz FEDRSHMCWOBUNM-ZCFIWIBFSA-N -1 1 208.225 -0.308 20 0 BBADMM C[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824440959 608394934 /nfs/dbraw/zinc/39/49/34/608394934.db2.gz MDNIUPPCNUBPAR-RXMQYKEDSA-N -1 1 221.224 -0.551 20 0 BBADMM C[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824440959 608394933 /nfs/dbraw/zinc/39/49/33/608394933.db2.gz MDNIUPPCNUBPAR-RXMQYKEDSA-N -1 1 221.224 -0.551 20 0 BBADMM C[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824440961 608426125 /nfs/dbraw/zinc/42/61/25/608426125.db2.gz MDNIUPPCNUBPAR-YFKPBYRVSA-N -1 1 221.224 -0.551 20 0 BBADMM C[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824440961 608426124 /nfs/dbraw/zinc/42/61/24/608426124.db2.gz MDNIUPPCNUBPAR-YFKPBYRVSA-N -1 1 221.224 -0.551 20 0 BBADMM C[C@@H](CO)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824441108 608436697 /nfs/dbraw/zinc/43/66/97/608436697.db2.gz NWXAYHRFKHSUBH-LURJTMIESA-N -1 1 235.251 -0.526 20 0 BBADMM C[C@@H](CO)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824441108 608436695 /nfs/dbraw/zinc/43/66/95/608436695.db2.gz NWXAYHRFKHSUBH-LURJTMIESA-N -1 1 235.251 -0.526 20 0 BBADMM C[C@H](CO)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824441111 608437074 /nfs/dbraw/zinc/43/70/74/608437074.db2.gz NWXAYHRFKHSUBH-ZCFIWIBFSA-N -1 1 235.251 -0.526 20 0 BBADMM C[C@H](CO)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824441111 608437073 /nfs/dbraw/zinc/43/70/73/608437073.db2.gz NWXAYHRFKHSUBH-ZCFIWIBFSA-N -1 1 235.251 -0.526 20 0 BBADMM C[C@@H](CC(=O)N(C)Cc1nnc[nH]1)NC(=O)[O-] ZINC000824558771 587276090 /nfs/dbraw/zinc/27/60/90/587276090.db2.gz WNRHLOZFOGSJPK-LURJTMIESA-N -1 1 241.251 -0.191 20 0 BBADMM C[C@H](CC(=O)N(C)Cc1nnc[nH]1)NC(=O)[O-] ZINC000824558772 587276464 /nfs/dbraw/zinc/27/64/64/587276464.db2.gz WNRHLOZFOGSJPK-ZCFIWIBFSA-N -1 1 241.251 -0.191 20 0 BBADMM CON(C)CCCNC(=O)CCc1nn[n-]n1 ZINC000824588220 587278048 /nfs/dbraw/zinc/27/80/48/587278048.db2.gz RGBPCGOBBKPSPK-UHFFFAOYSA-N -1 1 242.283 -0.868 20 0 BBADMM C[C@H](CC(=O)NCc1c[nH]nn1)NC(=O)[O-] ZINC000824653904 587281568 /nfs/dbraw/zinc/28/15/68/587281568.db2.gz BBPIFSZAZHKFHN-RXMQYKEDSA-N -1 1 227.224 -0.533 20 0 BBADMM C[C@@H](CC(=O)NCc1c[nH]nn1)NC(=O)[O-] ZINC000824653905 587281482 /nfs/dbraw/zinc/28/14/82/587281482.db2.gz BBPIFSZAZHKFHN-YFKPBYRVSA-N -1 1 227.224 -0.533 20 0 BBADMM C[C@@H](CC(=O)NCCc1nc[nH]n1)NC(=O)[O-] ZINC000824656642 587281378 /nfs/dbraw/zinc/28/13/78/587281378.db2.gz UJYIFJXESDLFRW-LURJTMIESA-N -1 1 241.251 -0.490 20 0 BBADMM C[C@H](CC(=O)NCCc1nc[nH]n1)NC(=O)[O-] ZINC000824656643 587281474 /nfs/dbraw/zinc/28/14/74/587281474.db2.gz UJYIFJXESDLFRW-ZCFIWIBFSA-N -1 1 241.251 -0.490 20 0 BBADMM C[C@H](CC(=O)NCc1nnc[nH]1)NC(=O)[O-] ZINC000824671405 587282122 /nfs/dbraw/zinc/28/21/22/587282122.db2.gz GZADHJVQAAIZGQ-RXMQYKEDSA-N -1 1 227.224 -0.533 20 0 BBADMM C[C@@H](CC(=O)NCc1nnc[nH]1)NC(=O)[O-] ZINC000824671406 587281913 /nfs/dbraw/zinc/28/19/13/587281913.db2.gz GZADHJVQAAIZGQ-YFKPBYRVSA-N -1 1 227.224 -0.533 20 0 BBADMM C[C@@H](O)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824698239 587283161 /nfs/dbraw/zinc/28/31/61/587283161.db2.gz JRMRTWFLARCHKU-SSDOTTSWSA-N -1 1 249.278 -0.136 20 0 BBADMM C[C@@H](O)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824698239 587283160 /nfs/dbraw/zinc/28/31/60/587283160.db2.gz JRMRTWFLARCHKU-SSDOTTSWSA-N -1 1 249.278 -0.136 20 0 BBADMM C[C@H](O)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824698241 587283425 /nfs/dbraw/zinc/28/34/25/587283425.db2.gz JRMRTWFLARCHKU-ZETCQYMHSA-N -1 1 249.278 -0.136 20 0 BBADMM C[C@H](O)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824698241 587283424 /nfs/dbraw/zinc/28/34/24/587283424.db2.gz JRMRTWFLARCHKU-ZETCQYMHSA-N -1 1 249.278 -0.136 20 0 BBADMM C[C@H](O)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC000824698678 587283455 /nfs/dbraw/zinc/28/34/55/587283455.db2.gz MWSNWJVEAAMWMQ-LURJTMIESA-N -1 1 235.251 -0.161 20 0 BBADMM C[C@H](O)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC000824698678 587283454 /nfs/dbraw/zinc/28/34/54/587283454.db2.gz MWSNWJVEAAMWMQ-LURJTMIESA-N -1 1 235.251 -0.161 20 0 BBADMM C[C@@H](O)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC000824698679 587283673 /nfs/dbraw/zinc/28/36/73/587283673.db2.gz MWSNWJVEAAMWMQ-ZCFIWIBFSA-N -1 1 235.251 -0.161 20 0 BBADMM C[C@@H](O)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC000824698679 587283672 /nfs/dbraw/zinc/28/36/72/587283672.db2.gz MWSNWJVEAAMWMQ-ZCFIWIBFSA-N -1 1 235.251 -0.161 20 0 BBADMM C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824706838 587283830 /nfs/dbraw/zinc/28/38/30/587283830.db2.gz KBEVMZDJKNUTOB-LURJTMIESA-N -1 1 235.251 -0.526 20 0 BBADMM C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824706838 587283828 /nfs/dbraw/zinc/28/38/28/587283828.db2.gz KBEVMZDJKNUTOB-LURJTMIESA-N -1 1 235.251 -0.526 20 0 BBADMM C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824706839 587284037 /nfs/dbraw/zinc/28/40/37/587284037.db2.gz KBEVMZDJKNUTOB-ZCFIWIBFSA-N -1 1 235.251 -0.526 20 0 BBADMM C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824706839 587284036 /nfs/dbraw/zinc/28/40/36/587284036.db2.gz KBEVMZDJKNUTOB-ZCFIWIBFSA-N -1 1 235.251 -0.526 20 0 BBADMM C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824707330 587284087 /nfs/dbraw/zinc/28/40/87/587284087.db2.gz QHXLVBAKHLCDGU-RXMQYKEDSA-N -1 1 221.224 -0.551 20 0 BBADMM C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824707330 587284086 /nfs/dbraw/zinc/28/40/86/587284086.db2.gz QHXLVBAKHLCDGU-RXMQYKEDSA-N -1 1 221.224 -0.551 20 0 BBADMM C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824707331 587283991 /nfs/dbraw/zinc/28/39/91/587283991.db2.gz QHXLVBAKHLCDGU-YFKPBYRVSA-N -1 1 221.224 -0.551 20 0 BBADMM C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824707331 587283990 /nfs/dbraw/zinc/28/39/90/587283990.db2.gz QHXLVBAKHLCDGU-YFKPBYRVSA-N -1 1 221.224 -0.551 20 0 BBADMM CSc1n[nH]c(NC(=O)[C@H]2CCNC2=O)n1 ZINC000824783538 587287388 /nfs/dbraw/zinc/28/73/88/587287388.db2.gz VOFPKADYSDQPKV-BYPYZUCNSA-N -1 1 241.276 -0.399 20 0 BBADMM CSc1n[nH]c(NC(=O)[C@@H]2CCNC2=O)n1 ZINC000824783548 587287438 /nfs/dbraw/zinc/28/74/38/587287438.db2.gz VOFPKADYSDQPKV-SCSAIBSYSA-N -1 1 241.276 -0.399 20 0 BBADMM C[C@H](CCNCc1cn(C)nn1)NC(=O)[O-] ZINC000824804389 587288264 /nfs/dbraw/zinc/28/82/64/587288264.db2.gz YMTWGUOVWYXLRR-SSDOTTSWSA-N -1 1 227.268 -0.049 20 0 BBADMM C[C@@H](CCNCc1cn(C)nn1)NC(=O)[O-] ZINC000824804390 587288249 /nfs/dbraw/zinc/28/82/49/587288249.db2.gz YMTWGUOVWYXLRR-ZETCQYMHSA-N -1 1 227.268 -0.049 20 0 BBADMM C[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824843463 587289986 /nfs/dbraw/zinc/28/99/86/587289986.db2.gz FJKQUMCKRXONCC-JTQLQIEISA-N -1 1 247.262 -0.382 20 0 BBADMM C[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824843463 587289985 /nfs/dbraw/zinc/28/99/85/587289985.db2.gz FJKQUMCKRXONCC-JTQLQIEISA-N -1 1 247.262 -0.382 20 0 BBADMM C[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824843464 587289729 /nfs/dbraw/zinc/28/97/29/587289729.db2.gz FJKQUMCKRXONCC-SNVBAGLBSA-N -1 1 247.262 -0.382 20 0 BBADMM C[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824843464 587289727 /nfs/dbraw/zinc/28/97/27/587289727.db2.gz FJKQUMCKRXONCC-SNVBAGLBSA-N -1 1 247.262 -0.382 20 0 BBADMM C[C@@H](CN(C)C(=O)[O-])C(=O)NCc1c[nH]nn1 ZINC000824861523 587290483 /nfs/dbraw/zinc/29/04/83/587290483.db2.gz HGDVQBITGMSGHT-LURJTMIESA-N -1 1 241.251 -0.333 20 0 BBADMM C[C@H](CN(C)C(=O)[O-])C(=O)NCc1c[nH]nn1 ZINC000824861524 587290565 /nfs/dbraw/zinc/29/05/65/587290565.db2.gz HGDVQBITGMSGHT-ZCFIWIBFSA-N -1 1 241.251 -0.333 20 0 BBADMM C[C@@H](CN(C)C(=O)[O-])C(=O)NCc1nnc[nH]1 ZINC000824868440 587290996 /nfs/dbraw/zinc/29/09/96/587290996.db2.gz NEIRGSHYHFMYNO-LURJTMIESA-N -1 1 241.251 -0.333 20 0 BBADMM C[C@H](CN(C)C(=O)[O-])C(=O)NCc1nnc[nH]1 ZINC000824868441 587291001 /nfs/dbraw/zinc/29/10/01/587291001.db2.gz NEIRGSHYHFMYNO-ZCFIWIBFSA-N -1 1 241.251 -0.333 20 0 BBADMM C[C@H](CN(C)C(=O)[O-])C(=O)NCc1nn[nH]n1 ZINC000824868706 587290959 /nfs/dbraw/zinc/29/09/59/587290959.db2.gz PWVQXOCEEWFLSD-RXMQYKEDSA-N -1 1 242.239 -0.938 20 0 BBADMM C[C@@H](CN(C)C(=O)[O-])C(=O)NCc1nn[nH]n1 ZINC000824868707 587291015 /nfs/dbraw/zinc/29/10/15/587291015.db2.gz PWVQXOCEEWFLSD-YFKPBYRVSA-N -1 1 242.239 -0.938 20 0 BBADMM C[C@H](CNC(=O)[O-])N(C)C(=O)CN(C)C ZINC000824961095 587295037 /nfs/dbraw/zinc/29/50/37/587295037.db2.gz YBPHGFOKOGVGNM-SSDOTTSWSA-N -1 1 217.269 -0.338 20 0 BBADMM C[C@@H](CNC(=O)[O-])N(C)C(=O)CN(C)C ZINC000824961096 587294879 /nfs/dbraw/zinc/29/48/79/587294879.db2.gz YBPHGFOKOGVGNM-ZETCQYMHSA-N -1 1 217.269 -0.338 20 0 BBADMM C[C@@H](COC(=O)CCc1nc[nH]n1)NC(=O)[O-] ZINC000824989465 587297616 /nfs/dbraw/zinc/29/76/16/587297616.db2.gz ZDGRYGLNFJDRDI-LURJTMIESA-N -1 1 242.235 -0.063 20 0 BBADMM C[C@H](COC(=O)CCc1nc[nH]n1)NC(=O)[O-] ZINC000824989469 587297653 /nfs/dbraw/zinc/29/76/53/587297653.db2.gz ZDGRYGLNFJDRDI-ZCFIWIBFSA-N -1 1 242.235 -0.063 20 0 BBADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC000824992210 587297841 /nfs/dbraw/zinc/29/78/41/587297841.db2.gz KSERAIMKUUHZSV-SSDOTTSWSA-N -1 1 247.262 -0.118 20 0 BBADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC000824992210 587297839 /nfs/dbraw/zinc/29/78/39/587297839.db2.gz KSERAIMKUUHZSV-SSDOTTSWSA-N -1 1 247.262 -0.118 20 0 BBADMM C[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC000824992211 587297671 /nfs/dbraw/zinc/29/76/71/587297671.db2.gz KSERAIMKUUHZSV-ZETCQYMHSA-N -1 1 247.262 -0.118 20 0 BBADMM C[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC000824992211 587297669 /nfs/dbraw/zinc/29/76/69/587297669.db2.gz KSERAIMKUUHZSV-ZETCQYMHSA-N -1 1 247.262 -0.118 20 0 BBADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O ZINC000824992542 587297532 /nfs/dbraw/zinc/29/75/32/587297532.db2.gz MITXRGIJKWYBGV-HTRCEHHLSA-N -1 1 247.262 -0.526 20 0 BBADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O ZINC000824992542 587297530 /nfs/dbraw/zinc/29/75/30/587297530.db2.gz MITXRGIJKWYBGV-HTRCEHHLSA-N -1 1 247.262 -0.526 20 0 BBADMM C[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O ZINC000824992543 587297833 /nfs/dbraw/zinc/29/78/33/587297833.db2.gz MITXRGIJKWYBGV-POYBYMJQSA-N -1 1 247.262 -0.526 20 0 BBADMM C[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O ZINC000824992543 587297831 /nfs/dbraw/zinc/29/78/31/587297831.db2.gz MITXRGIJKWYBGV-POYBYMJQSA-N -1 1 247.262 -0.526 20 0 BBADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC000824992545 587297507 /nfs/dbraw/zinc/29/75/07/587297507.db2.gz MITXRGIJKWYBGV-SVRRBLITSA-N -1 1 247.262 -0.526 20 0 BBADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC000824992545 587297505 /nfs/dbraw/zinc/29/75/05/587297505.db2.gz MITXRGIJKWYBGV-SVRRBLITSA-N -1 1 247.262 -0.526 20 0 BBADMM C[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC000824992547 587297735 /nfs/dbraw/zinc/29/77/35/587297735.db2.gz MITXRGIJKWYBGV-XPUUQOCRSA-N -1 1 247.262 -0.526 20 0 BBADMM C[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC000824992547 587297732 /nfs/dbraw/zinc/29/77/32/587297732.db2.gz MITXRGIJKWYBGV-XPUUQOCRSA-N -1 1 247.262 -0.526 20 0 BBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O ZINC000824999808 587298277 /nfs/dbraw/zinc/29/82/77/587298277.db2.gz KGOHGFZPKXTWFR-BQBZGAKWSA-N -1 1 247.262 -0.526 20 0 BBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O ZINC000824999808 587298276 /nfs/dbraw/zinc/29/82/76/587298276.db2.gz KGOHGFZPKXTWFR-BQBZGAKWSA-N -1 1 247.262 -0.526 20 0 BBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O ZINC000824999809 587298229 /nfs/dbraw/zinc/29/82/29/587298229.db2.gz KGOHGFZPKXTWFR-NKWVEPMBSA-N -1 1 247.262 -0.526 20 0 BBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O ZINC000824999809 587298228 /nfs/dbraw/zinc/29/82/28/587298228.db2.gz KGOHGFZPKXTWFR-NKWVEPMBSA-N -1 1 247.262 -0.526 20 0 BBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O ZINC000824999810 587298150 /nfs/dbraw/zinc/29/81/50/587298150.db2.gz KGOHGFZPKXTWFR-RNFRBKRXSA-N -1 1 247.262 -0.526 20 0 BBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O ZINC000824999810 587298148 /nfs/dbraw/zinc/29/81/48/587298148.db2.gz KGOHGFZPKXTWFR-RNFRBKRXSA-N -1 1 247.262 -0.526 20 0 BBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O ZINC000824999811 587298325 /nfs/dbraw/zinc/29/83/25/587298325.db2.gz KGOHGFZPKXTWFR-RQJHMYQMSA-N -1 1 247.262 -0.526 20 0 BBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O ZINC000824999811 587298324 /nfs/dbraw/zinc/29/83/24/587298324.db2.gz KGOHGFZPKXTWFR-RQJHMYQMSA-N -1 1 247.262 -0.526 20 0 BBADMM C[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000825006499 587298319 /nfs/dbraw/zinc/29/83/19/587298319.db2.gz KGRJQDIQFKDLKH-SSDOTTSWSA-N -1 1 247.262 -0.118 20 0 BBADMM C[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000825006499 587298318 /nfs/dbraw/zinc/29/83/18/587298318.db2.gz KGRJQDIQFKDLKH-SSDOTTSWSA-N -1 1 247.262 -0.118 20 0 BBADMM C[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000825006500 587298044 /nfs/dbraw/zinc/29/80/44/587298044.db2.gz KGRJQDIQFKDLKH-ZETCQYMHSA-N -1 1 247.262 -0.118 20 0 BBADMM C[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000825006500 587298042 /nfs/dbraw/zinc/29/80/42/587298042.db2.gz KGRJQDIQFKDLKH-ZETCQYMHSA-N -1 1 247.262 -0.118 20 0 BBADMM CC[C@@H](C)NC(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000825067755 587302527 /nfs/dbraw/zinc/30/25/27/587302527.db2.gz MFPFTLUVGCCSDB-SSDOTTSWSA-N -1 1 249.278 -0.022 20 0 BBADMM CC[C@@H](C)NC(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000825067755 587302525 /nfs/dbraw/zinc/30/25/25/587302525.db2.gz 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/nfs/dbraw/zinc/30/57/11/587305711.db2.gz RAQKQICICDUOOT-YFKPBYRVSA-N -1 1 227.224 -0.360 20 0 BBADMM C[C@@H](NC(=O)CN(C)C(=O)[O-])c1nnc[nH]1 ZINC000825115792 587305305 /nfs/dbraw/zinc/30/53/05/587305305.db2.gz SBUDJILGDBPONE-RXMQYKEDSA-N -1 1 227.224 -0.408 20 0 BBADMM C[C@H](NC(=O)CN(C)C(=O)[O-])c1nnc[nH]1 ZINC000825115793 587305456 /nfs/dbraw/zinc/30/54/56/587305456.db2.gz SBUDJILGDBPONE-YFKPBYRVSA-N -1 1 227.224 -0.408 20 0 BBADMM CC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825120733 587305745 /nfs/dbraw/zinc/30/57/45/587305745.db2.gz MGTJHIMOZVJQBA-LURJTMIESA-N -1 1 235.251 -0.161 20 0 BBADMM CC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825120733 587305744 /nfs/dbraw/zinc/30/57/44/587305744.db2.gz MGTJHIMOZVJQBA-LURJTMIESA-N -1 1 235.251 -0.161 20 0 BBADMM CC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825120734 587305347 /nfs/dbraw/zinc/30/53/47/587305347.db2.gz MGTJHIMOZVJQBA-ZCFIWIBFSA-N -1 1 235.251 -0.161 20 0 BBADMM CC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825120734 587305346 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20 0 BBADMM CN1CN(c2cccc(-c3nnn[n-]3)n2)CC1=O ZINC000826044776 587349473 /nfs/dbraw/zinc/34/94/73/587349473.db2.gz KKOQHSXLAGZUIX-UHFFFAOYSA-N -1 1 245.246 -0.502 20 0 BBADMM C[C@@H]1CN([C@H]2CCNC2=O)CC[C@H]1NC(=O)[O-] ZINC000826050109 587349687 /nfs/dbraw/zinc/34/96/87/587349687.db2.gz RZRRDNXJPPMKFY-HLTSFMKQSA-N -1 1 241.291 -0.147 20 0 BBADMM C[C@@H]1CN([C@@H]2CCNC2=O)CC[C@@H]1NC(=O)[O-] ZINC000826050110 587349933 /nfs/dbraw/zinc/34/99/33/587349933.db2.gz RZRRDNXJPPMKFY-HRDYMLBCSA-N -1 1 241.291 -0.147 20 0 BBADMM C[C@@H]1CN([C@@H]2CCNC2=O)CC[C@H]1NC(=O)[O-] ZINC000826050111 584894322 /nfs/dbraw/zinc/89/43/22/584894322.db2.gz RZRRDNXJPPMKFY-IWSPIJDZSA-N -1 1 241.291 -0.147 20 0 BBADMM C[C@@H]1CN([C@H]2CCNC2=O)CC[C@@H]1NC(=O)[O-] ZINC000826050112 584894334 /nfs/dbraw/zinc/89/43/34/584894334.db2.gz RZRRDNXJPPMKFY-VGMNWLOBSA-N -1 1 241.291 -0.147 20 0 BBADMM C[C@@H]1CN(CC2(CO)COC2)CCN1C(=O)[O-] ZINC000826050175 587349644 /nfs/dbraw/zinc/34/96/44/587349644.db2.gz SUDTYCPAHNGLKF-SECBINFHSA-N -1 1 244.291 -0.321 20 0 BBADMM C[C@H]1CN(CC2(CO)COC2)CCN1C(=O)[O-] ZINC000826050176 587349638 /nfs/dbraw/zinc/34/96/38/587349638.db2.gz SUDTYCPAHNGLKF-VIFPVBQESA-N -1 1 244.291 -0.321 20 0 BBADMM C[C@@H](C(=O)[O-])[N@H+]1CCO[C@@H](CC(=O)[O-])C1 ZINC000826061330 587349727 /nfs/dbraw/zinc/34/97/27/587349727.db2.gz LEAUDUMTGGIWBS-BQBZGAKWSA-N -1 1 217.221 -0.365 20 0 BBADMM C[C@@H](C(=O)[O-])[N@@H+]1CCO[C@@H](CC(=O)[O-])C1 ZINC000826061330 587349726 /nfs/dbraw/zinc/34/97/26/587349726.db2.gz LEAUDUMTGGIWBS-BQBZGAKWSA-N -1 1 217.221 -0.365 20 0 BBADMM C[C@@H](C(=O)[O-])[N@H+]1CCO[C@H](CC(=O)[O-])C1 ZINC000826061331 587349964 /nfs/dbraw/zinc/34/99/64/587349964.db2.gz LEAUDUMTGGIWBS-NKWVEPMBSA-N -1 1 217.221 -0.365 20 0 BBADMM C[C@@H](C(=O)[O-])[N@@H+]1CCO[C@H](CC(=O)[O-])C1 ZINC000826061331 587349963 /nfs/dbraw/zinc/34/99/63/587349963.db2.gz LEAUDUMTGGIWBS-NKWVEPMBSA-N -1 1 217.221 -0.365 20 0 BBADMM C[C@H](C(=O)[O-])[N@H+]1CCO[C@H](CC(=O)[O-])C1 ZINC000826061332 587349876 /nfs/dbraw/zinc/34/98/76/587349876.db2.gz LEAUDUMTGGIWBS-RNFRBKRXSA-N -1 1 217.221 -0.365 20 0 BBADMM C[C@H](C(=O)[O-])[N@@H+]1CCO[C@H](CC(=O)[O-])C1 ZINC000826061332 587349875 /nfs/dbraw/zinc/34/98/75/587349875.db2.gz LEAUDUMTGGIWBS-RNFRBKRXSA-N -1 1 217.221 -0.365 20 0 BBADMM C[C@H](C(=O)[O-])[N@H+]1CCO[C@@H](CC(=O)[O-])C1 ZINC000826061333 587349905 /nfs/dbraw/zinc/34/99/05/587349905.db2.gz LEAUDUMTGGIWBS-RQJHMYQMSA-N -1 1 217.221 -0.365 20 0 BBADMM C[C@H](C(=O)[O-])[N@@H+]1CCO[C@@H](CC(=O)[O-])C1 ZINC000826061333 587349904 /nfs/dbraw/zinc/34/99/04/587349904.db2.gz LEAUDUMTGGIWBS-RQJHMYQMSA-N -1 1 217.221 -0.365 20 0 BBADMM C[C@H](C(=O)[O-])[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000826061402 587349841 /nfs/dbraw/zinc/34/98/41/587349841.db2.gz QNOBKTYJPOUAHM-SVGQVSJJSA-N -1 1 205.185 -0.042 20 0 BBADMM C[C@H](C(=O)[O-])[N@@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000826061402 587349840 /nfs/dbraw/zinc/34/98/40/587349840.db2.gz QNOBKTYJPOUAHM-SVGQVSJJSA-N -1 1 205.185 -0.042 20 0 BBADMM C[C@@H](C(=O)[O-])[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000826061403 587349722 /nfs/dbraw/zinc/34/97/22/587349722.db2.gz QNOBKTYJPOUAHM-XNCJUZBTSA-N -1 1 205.185 -0.042 20 0 BBADMM C[C@@H](C(=O)[O-])[N@@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000826061403 587349721 /nfs/dbraw/zinc/34/97/21/587349721.db2.gz QNOBKTYJPOUAHM-XNCJUZBTSA-N -1 1 205.185 -0.042 20 0 BBADMM C[C@H](C(=O)[O-])[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000826061404 587349776 /nfs/dbraw/zinc/34/97/76/587349776.db2.gz QNOBKTYJPOUAHM-XRGYYRRGSA-N -1 1 205.185 -0.042 20 0 BBADMM C[C@H](C(=O)[O-])[N@@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000826061404 587349775 /nfs/dbraw/zinc/34/97/75/587349775.db2.gz QNOBKTYJPOUAHM-XRGYYRRGSA-N -1 1 205.185 -0.042 20 0 BBADMM C[C@@H](C(=O)[O-])[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000826061405 587349746 /nfs/dbraw/zinc/34/97/46/587349746.db2.gz QNOBKTYJPOUAHM-YLWLKBPMSA-N -1 1 205.185 -0.042 20 0 BBADMM C[C@@H](C(=O)[O-])[N@@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000826061405 587349745 /nfs/dbraw/zinc/34/97/45/587349745.db2.gz QNOBKTYJPOUAHM-YLWLKBPMSA-N -1 1 205.185 -0.042 20 0 BBADMM CNC(=O)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826067959 587350169 /nfs/dbraw/zinc/35/01/69/587350169.db2.gz ODKKTISLIVSSEH-RXMQYKEDSA-N -1 1 248.250 -0.797 20 0 BBADMM CNC(=O)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826067959 587350168 /nfs/dbraw/zinc/35/01/68/587350168.db2.gz ODKKTISLIVSSEH-RXMQYKEDSA-N -1 1 248.250 -0.797 20 0 BBADMM CNC(=O)[C@@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000826068222 587350060 /nfs/dbraw/zinc/35/00/60/587350060.db2.gz PIQLGJIUQUZQLI-ZCFIWIBFSA-N -1 1 247.262 -0.192 20 0 BBADMM CNC(=O)[C@@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000826068222 587350059 /nfs/dbraw/zinc/35/00/59/587350059.db2.gz PIQLGJIUQUZQLI-ZCFIWIBFSA-N -1 1 247.262 -0.192 20 0 BBADMM COC(=O)CN(C)c1nccnc1-c1nn[n-]n1 ZINC000826138203 587351346 /nfs/dbraw/zinc/35/13/46/587351346.db2.gz KDMNJOUTDVMVJV-UHFFFAOYSA-N -1 1 249.234 -0.734 20 0 BBADMM COC(=O)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000826138272 587351324 /nfs/dbraw/zinc/35/13/24/587351324.db2.gz NCSUNNQANAWUEK-UHFFFAOYSA-N -1 1 249.234 -0.734 20 0 BBADMM COC(=O)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000826138272 587351323 /nfs/dbraw/zinc/35/13/23/587351323.db2.gz NCSUNNQANAWUEK-UHFFFAOYSA-N -1 1 249.234 -0.734 20 0 BBADMM COC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826143821 587351096 /nfs/dbraw/zinc/35/10/96/587351096.db2.gz QULBFCWQUCTZPD-UHFFFAOYSA-N -1 1 247.262 -0.118 20 0 BBADMM COC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826143821 587351095 /nfs/dbraw/zinc/35/10/95/587351095.db2.gz QULBFCWQUCTZPD-UHFFFAOYSA-N -1 1 247.262 -0.118 20 0 BBADMM COC1(C)CN(c2nccnc2-c2nn[n-]n2)C1 ZINC000826143915 587351145 /nfs/dbraw/zinc/35/11/45/587351145.db2.gz WBIMLWNFVAMXFC-UHFFFAOYSA-N -1 1 247.262 -0.118 20 0 BBADMM COC1(C)CN(c2nccnc2-c2nnn[n-]2)C1 ZINC000826143915 587351144 /nfs/dbraw/zinc/35/11/44/587351144.db2.gz WBIMLWNFVAMXFC-UHFFFAOYSA-N -1 1 247.262 -0.118 20 0 BBADMM COC1CN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826147183 587351142 /nfs/dbraw/zinc/35/11/42/587351142.db2.gz PLQHOHDSIAHNPY-UHFFFAOYSA-N -1 1 233.235 -0.508 20 0 BBADMM COC1CN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826147183 587351141 /nfs/dbraw/zinc/35/11/41/587351141.db2.gz PLQHOHDSIAHNPY-UHFFFAOYSA-N -1 1 233.235 -0.508 20 0 BBADMM COCCC(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000826153374 587351529 /nfs/dbraw/zinc/35/15/29/587351529.db2.gz LSAHCIMXBGHRJQ-UHFFFAOYSA-N -1 1 236.235 -0.331 20 0 BBADMM COCCC(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000826153374 587351528 /nfs/dbraw/zinc/35/15/28/587351528.db2.gz LSAHCIMXBGHRJQ-UHFFFAOYSA-N -1 1 236.235 -0.331 20 0 BBADMM COCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000826158026 587351676 /nfs/dbraw/zinc/35/16/76/587351676.db2.gz XFICDGPBBKGERM-UHFFFAOYSA-N -1 1 235.251 -0.261 20 0 BBADMM COCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000826158026 587351675 /nfs/dbraw/zinc/35/16/75/587351675.db2.gz XFICDGPBBKGERM-UHFFFAOYSA-N -1 1 235.251 -0.261 20 0 BBADMM COCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826160390 587351730 /nfs/dbraw/zinc/35/17/30/587351730.db2.gz QCEYHVPSNVZVIG-UHFFFAOYSA-N -1 1 221.224 -0.285 20 0 BBADMM COCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826160390 587351729 /nfs/dbraw/zinc/35/17/29/587351729.db2.gz QCEYHVPSNVZVIG-UHFFFAOYSA-N -1 1 221.224 -0.285 20 0 BBADMM COCCOCCn1ccnc1-c1nn[n-]n1 ZINC000826161142 587351075 /nfs/dbraw/zinc/35/10/75/587351075.db2.gz VLIAVRCAGHQCLG-UHFFFAOYSA-N -1 1 238.251 -0.274 20 0 BBADMM COCCOCCn1ccnc1-c1nnn[n-]1 ZINC000826161142 587351074 /nfs/dbraw/zinc/35/10/74/587351074.db2.gz VLIAVRCAGHQCLG-UHFFFAOYSA-N -1 1 238.251 -0.274 20 0 BBADMM CON(C)c1nccnc1-c1nn[n-]n1 ZINC000826166295 587351611 /nfs/dbraw/zinc/35/16/11/587351611.db2.gz DRAZXAOPICSCJK-UHFFFAOYSA-N -1 1 207.197 -0.346 20 0 BBADMM CO[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826166641 587351432 /nfs/dbraw/zinc/35/14/32/587351432.db2.gz URWBXWIDJKFTBZ-SSDOTTSWSA-N -1 1 247.262 -0.118 20 0 BBADMM CO[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826166641 587351431 /nfs/dbraw/zinc/35/14/31/587351431.db2.gz URWBXWIDJKFTBZ-SSDOTTSWSA-N -1 1 247.262 -0.118 20 0 BBADMM CO[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826166642 587351802 /nfs/dbraw/zinc/35/18/02/587351802.db2.gz URWBXWIDJKFTBZ-ZETCQYMHSA-N -1 1 247.262 -0.118 20 0 BBADMM CO[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826166642 587351801 /nfs/dbraw/zinc/35/18/01/587351801.db2.gz URWBXWIDJKFTBZ-ZETCQYMHSA-N -1 1 247.262 -0.118 20 0 BBADMM CON(C)C(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000826166694 587351667 /nfs/dbraw/zinc/35/16/67/587351667.db2.gz WSDJUQRQJLWVJH-UHFFFAOYSA-N -1 1 237.223 -0.917 20 0 BBADMM CON(C)C(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000826166694 587351666 /nfs/dbraw/zinc/35/16/66/587351666.db2.gz WSDJUQRQJLWVJH-UHFFFAOYSA-N -1 1 237.223 -0.917 20 0 BBADMM Cc1ccnc(Cn2cnc(-c3nn[n-]n3)n2)n1 ZINC000826309667 587352126 /nfs/dbraw/zinc/35/21/26/587352126.db2.gz XIYYAIYTHXREMF-UHFFFAOYSA-N -1 1 243.234 -0.395 20 0 BBADMM Cc1nnnn1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826338450 587352327 /nfs/dbraw/zinc/35/23/27/587352327.db2.gz VXHNXNRDIGLUFZ-UHFFFAOYSA-N -1 1 243.234 -0.395 20 0 BBADMM Cc1nnnn1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826338450 587352326 /nfs/dbraw/zinc/35/23/26/587352326.db2.gz VXHNXNRDIGLUFZ-UHFFFAOYSA-N -1 1 243.234 -0.395 20 0 BBADMM Cc1nsc(-n2cnc(-c3nn[n-]n3)n2)n1 ZINC000826340008 587352095 /nfs/dbraw/zinc/35/20/95/587352095.db2.gz DBJIONDWTOGYMZ-UHFFFAOYSA-N -1 1 235.236 -0.393 20 0 BBADMM Cc1nonc1Cn1ccnc1-c1nn[n-]n1 ZINC000826340372 587352204 /nfs/dbraw/zinc/35/22/04/587352204.db2.gz VREYYVJYOCVUCK-UHFFFAOYSA-N -1 1 232.207 -0.197 20 0 BBADMM Cc1nonc1Cn1ccnc1-c1nnn[n-]1 ZINC000826340372 587352203 /nfs/dbraw/zinc/35/22/03/587352203.db2.gz VREYYVJYOCVUCK-UHFFFAOYSA-N -1 1 232.207 -0.197 20 0 BBADMM Cc1onc(CC(=O)N(C)C)c1-c1nn[n-]n1 ZINC000826342852 587351957 /nfs/dbraw/zinc/35/19/57/587351957.db2.gz CHAJNSJEHKKFLR-UHFFFAOYSA-N -1 1 236.235 -0.206 20 0 BBADMM Cc1onc(CC(=O)N(C)C)c1-c1nnn[n-]1 ZINC000826342852 587351956 /nfs/dbraw/zinc/35/19/56/587351956.db2.gz CHAJNSJEHKKFLR-UHFFFAOYSA-N -1 1 236.235 -0.206 20 0 BBADMM Cc1onc(CC(=O)N2CCC2)c1-c1nn[n-]n1 ZINC000826343824 587352453 /nfs/dbraw/zinc/35/24/53/587352453.db2.gz OCFKPQDSWSHZEO-UHFFFAOYSA-N -1 1 248.246 -0.062 20 0 BBADMM Cc1onc(CC(=O)N2CCC2)c1-c1nnn[n-]1 ZINC000826343824 587352452 /nfs/dbraw/zinc/35/24/52/587352452.db2.gz OCFKPQDSWSHZEO-UHFFFAOYSA-N -1 1 248.246 -0.062 20 0 BBADMM Cc1onc(CC(=O)NC2CC2)c1-c1nn[n-]n1 ZINC000826346127 587352187 /nfs/dbraw/zinc/35/21/87/587352187.db2.gz DCIUOBXHMWOWTJ-UHFFFAOYSA-N -1 1 248.246 -0.016 20 0 BBADMM Cc1onc(CC(=O)NC2CC2)c1-c1nnn[n-]1 ZINC000826346127 587352186 /nfs/dbraw/zinc/35/21/86/587352186.db2.gz DCIUOBXHMWOWTJ-UHFFFAOYSA-N -1 1 248.246 -0.016 20 0 BBADMM Cc1oncc1Cn1cnc(-c2nn[n-]n2)n1 ZINC000826349289 587352510 /nfs/dbraw/zinc/35/25/10/587352510.db2.gz CKLAPGJRFMSKMO-UHFFFAOYSA-N -1 1 232.207 -0.197 20 0 BBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC2CC2)c1=O ZINC000826356174 587352420 /nfs/dbraw/zinc/35/24/20/587352420.db2.gz FDRJXSBCMVIDEI-UHFFFAOYSA-N -1 1 248.246 -0.863 20 0 BBADMM Cn1cc(CNc2n[nH]cc2-c2nn[n-]n2)nn1 ZINC000826361571 587352055 /nfs/dbraw/zinc/35/20/55/587352055.db2.gz DAQJRJLHIFFZHS-UHFFFAOYSA-N -1 1 246.238 -0.670 20 0 BBADMM Cn1cc(CNc2n[nH]cc2-c2nnn[n-]2)nn1 ZINC000826361571 587352054 /nfs/dbraw/zinc/35/20/54/587352054.db2.gz DAQJRJLHIFFZHS-UHFFFAOYSA-N -1 1 246.238 -0.670 20 0 BBADMM Cn1cc(Cn2ccnc2-c2nn[n-]n2)cn1 ZINC000826362360 587352142 /nfs/dbraw/zinc/35/21/42/587352142.db2.gz OZXSTUHHQQFPST-UHFFFAOYSA-N -1 1 230.235 -0.155 20 0 BBADMM Cn1cc(Cn2ccnc2-c2nnn[n-]2)cn1 ZINC000826362360 587352141 /nfs/dbraw/zinc/35/21/41/587352141.db2.gz OZXSTUHHQQFPST-UHFFFAOYSA-N -1 1 230.235 -0.155 20 0 BBADMM Cn1ccc(Cn2ccnc2-c2nn[n-]n2)n1 ZINC000826363186 587352249 /nfs/dbraw/zinc/35/22/49/587352249.db2.gz BRAWLYLLOJZJSO-UHFFFAOYSA-N -1 1 230.235 -0.155 20 0 BBADMM Cn1ccc(Cn2ccnc2-c2nnn[n-]2)n1 ZINC000826363186 587352248 /nfs/dbraw/zinc/35/22/48/587352248.db2.gz BRAWLYLLOJZJSO-UHFFFAOYSA-N -1 1 230.235 -0.155 20 0 BBADMM Cn1ccc(CNc2n[nH]cc2-c2nn[n-]n2)n1 ZINC000826363259 587352166 /nfs/dbraw/zinc/35/21/66/587352166.db2.gz DZHYPTCWYAWCHZ-UHFFFAOYSA-N -1 1 245.250 -0.065 20 0 BBADMM Cn1ccc(CNc2n[nH]cc2-c2nnn[n-]2)n1 ZINC000826363259 587352165 /nfs/dbraw/zinc/35/21/65/587352165.db2.gz DZHYPTCWYAWCHZ-UHFFFAOYSA-N -1 1 245.250 -0.065 20 0 BBADMM Cn1ccc(Cn2cnc(-c3nn[n-]n3)n2)n1 ZINC000826363309 587352045 /nfs/dbraw/zinc/35/20/45/587352045.db2.gz GWCJFBASODFNHE-UHFFFAOYSA-N -1 1 231.223 -0.760 20 0 BBADMM Cn1ccnc1Cn1ccnc1-c1nn[n-]n1 ZINC000826364420 587352703 /nfs/dbraw/zinc/35/27/03/587352703.db2.gz VWEHGLUZJQMRRB-UHFFFAOYSA-N -1 1 230.235 -0.155 20 0 BBADMM Cn1nccc1Cn1cnc(-c2nn[n-]n2)n1 ZINC000826366451 587352539 /nfs/dbraw/zinc/35/25/39/587352539.db2.gz IVRFTECIMPPAGD-UHFFFAOYSA-N -1 1 231.223 -0.760 20 0 BBADMM Cn1nccc1CNc1n[nH]cc1-c1nn[n-]n1 ZINC000826366622 587352718 /nfs/dbraw/zinc/35/27/18/587352718.db2.gz QILWOLGRHBRIAR-UHFFFAOYSA-N -1 1 245.250 -0.065 20 0 BBADMM Cn1nccc1CNc1n[nH]cc1-c1nnn[n-]1 ZINC000826366622 587352717 /nfs/dbraw/zinc/35/27/17/587352717.db2.gz QILWOLGRHBRIAR-UHFFFAOYSA-N -1 1 245.250 -0.065 20 0 BBADMM Cn1nccc1Cn1ccnc1-c1nn[n-]n1 ZINC000826366843 587352714 /nfs/dbraw/zinc/35/27/14/587352714.db2.gz ZZFCUNLAERZHKY-UHFFFAOYSA-N -1 1 230.235 -0.155 20 0 BBADMM Cn1nccc1Cn1ccnc1-c1nnn[n-]1 ZINC000826366843 587352713 /nfs/dbraw/zinc/35/27/13/587352713.db2.gz ZZFCUNLAERZHKY-UHFFFAOYSA-N -1 1 230.235 -0.155 20 0 BBADMM FC1CN(c2nccnc2-c2nn[n-]n2)C1 ZINC000826370233 587352593 /nfs/dbraw/zinc/35/25/93/587352593.db2.gz JLWBDWYKJAQSQB-UHFFFAOYSA-N -1 1 221.199 -0.185 20 0 BBADMM FC1CN(c2nccnc2-c2nnn[n-]2)C1 ZINC000826370233 587352592 /nfs/dbraw/zinc/35/25/92/587352592.db2.gz JLWBDWYKJAQSQB-UHFFFAOYSA-N -1 1 221.199 -0.185 20 0 BBADMM FC1CN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826370374 587352607 /nfs/dbraw/zinc/35/26/07/587352607.db2.gz PKVBNJRMWYFENR-UHFFFAOYSA-N -1 1 221.199 -0.185 20 0 BBADMM FC1CN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826370374 587352606 /nfs/dbraw/zinc/35/26/06/587352606.db2.gz PKVBNJRMWYFENR-UHFFFAOYSA-N -1 1 221.199 -0.185 20 0 BBADMM NC(=O)CCCCn1ccnc1-c1nn[n-]n1 ZINC000826390713 608148994 /nfs/dbraw/zinc/14/89/94/608148994.db2.gz JRHRAOFDLKMKGG-UHFFFAOYSA-N -1 1 235.251 -0.281 20 0 BBADMM NC(=O)CCCCn1ccnc1-c1nnn[n-]1 ZINC000826390713 608148993 /nfs/dbraw/zinc/14/89/93/608148993.db2.gz JRHRAOFDLKMKGG-UHFFFAOYSA-N -1 1 235.251 -0.281 20 0 BBADMM NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826394593 607576013 /nfs/dbraw/zinc/57/60/13/607576013.db2.gz PSBYPFWSSVJOQY-UHFFFAOYSA-N -1 1 243.223 -0.347 20 0 BBADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C1CC(=O)C1 ZINC000826394938 609404945 /nfs/dbraw/zinc/40/49/45/609404945.db2.gz FVGJCTIVKFMZSC-UHFFFAOYSA-N -1 1 247.218 -0.735 20 0 BBADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1CCCO1 ZINC000826395186 608120196 /nfs/dbraw/zinc/12/01/96/608120196.db2.gz QFZYWQKSOHVLNK-LURJTMIESA-N -1 1 249.234 -0.535 20 0 BBADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1CCCO1 ZINC000826395187 607928947 /nfs/dbraw/zinc/92/89/47/607928947.db2.gz QFZYWQKSOHVLNK-ZCFIWIBFSA-N -1 1 249.234 -0.535 20 0 BBADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cnco1 ZINC000826395731 608011565 /nfs/dbraw/zinc/01/15/65/608011565.db2.gz QWZRRRLYRFIJCV-UHFFFAOYSA-N -1 1 246.190 -0.678 20 0 BBADMM O=C(Cn1ccnc1-c1nn[n-]n1)N1CCCC1 ZINC000826425005 608013698 /nfs/dbraw/zinc/01/36/98/608013698.db2.gz LZRWMHCUYPOLSN-UHFFFAOYSA-N -1 1 247.262 -0.314 20 0 BBADMM O=C(Cn1ccnc1-c1nnn[n-]1)N1CCCC1 ZINC000826425005 608013697 /nfs/dbraw/zinc/01/36/97/608013697.db2.gz LZRWMHCUYPOLSN-UHFFFAOYSA-N -1 1 247.262 -0.314 20 0 BBADMM O=C(Cn1ccnc1-c1nn[n-]n1)NCC1CC1 ZINC000826425028 608013591 /nfs/dbraw/zinc/01/35/91/608013591.db2.gz NDRIKELMZMBPDP-UHFFFAOYSA-N -1 1 247.262 -0.411 20 0 BBADMM O=C(Cn1ccnc1-c1nnn[n-]1)NCC1CC1 ZINC000826425028 608013590 /nfs/dbraw/zinc/01/35/90/608013590.db2.gz NDRIKELMZMBPDP-UHFFFAOYSA-N -1 1 247.262 -0.411 20 0 BBADMM O=C1CCCCN1Cn1cnc(-c2nn[n-]n2)n1 ZINC000826479948 587353085 /nfs/dbraw/zinc/35/30/85/587353085.db2.gz MVOLAOMPUXDCKM-UHFFFAOYSA-N -1 1 248.250 -0.572 20 0 BBADMM O=C1CCCN1CCn1ccnc1-c1nn[n-]n1 ZINC000826480836 587352898 /nfs/dbraw/zinc/35/28/98/587352898.db2.gz TYUGQVGCINJYNT-UHFFFAOYSA-N -1 1 247.262 -0.314 20 0 BBADMM O=C1CCCN1CCn1ccnc1-c1nnn[n-]1 ZINC000826480836 587352897 /nfs/dbraw/zinc/35/28/97/587352897.db2.gz TYUGQVGCINJYNT-UHFFFAOYSA-N -1 1 247.262 -0.314 20 0 BBADMM O=C1CN(Cc2ccc(-c3nn[n-]n3)o2)CCN1 ZINC000826481413 587352749 /nfs/dbraw/zinc/35/27/49/587352749.db2.gz SWEODFJXMJZWSV-UHFFFAOYSA-N -1 1 248.246 -0.609 20 0 BBADMM O=C1CN(Cc2ccc(-c3nnn[n-]3)o2)CCN1 ZINC000826481413 587352748 /nfs/dbraw/zinc/35/27/48/587352748.db2.gz SWEODFJXMJZWSV-UHFFFAOYSA-N -1 1 248.246 -0.609 20 0 BBADMM O=C1OCCN1CCn1ccnc1-c1nn[n-]n1 ZINC000826483215 587352850 /nfs/dbraw/zinc/35/28/50/587352850.db2.gz FVMKEKZNCATIJE-UHFFFAOYSA-N -1 1 249.234 -0.485 20 0 BBADMM O=C1OCCN1CCn1ccnc1-c1nnn[n-]1 ZINC000826483215 587352849 /nfs/dbraw/zinc/35/28/49/587352849.db2.gz FVMKEKZNCATIJE-UHFFFAOYSA-N -1 1 249.234 -0.485 20 0 BBADMM O=c1c(-c2nn[n-]n2)cccn1CCCO ZINC000826501355 587353148 /nfs/dbraw/zinc/35/31/48/587353148.db2.gz MGHOHVQTSCZNFE-UHFFFAOYSA-N -1 1 221.220 -0.589 20 0 BBADMM O[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC000826503212 587352955 /nfs/dbraw/zinc/35/29/55/587352955.db2.gz SVEJOVCEDHCQDZ-MRVPVSSYSA-N -1 1 247.262 -0.161 20 0 BBADMM O[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC000826503212 587352954 /nfs/dbraw/zinc/35/29/54/587352954.db2.gz SVEJOVCEDHCQDZ-MRVPVSSYSA-N -1 1 247.262 -0.161 20 0 BBADMM O[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC000826503213 587353163 /nfs/dbraw/zinc/35/31/63/587353163.db2.gz SVEJOVCEDHCQDZ-QMMMGPOBSA-N -1 1 247.262 -0.161 20 0 BBADMM O[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC000826503213 587353162 /nfs/dbraw/zinc/35/31/62/587353162.db2.gz SVEJOVCEDHCQDZ-QMMMGPOBSA-N -1 1 247.262 -0.161 20 0 BBADMM OC1(Cn2cnc(-c3nn[n-]n3)n2)CCC1 ZINC000826505817 587352946 /nfs/dbraw/zinc/35/29/46/587352946.db2.gz GEMXTCXJXKQDOG-UHFFFAOYSA-N -1 1 221.224 -0.627 20 0 BBADMM OC1(CNc2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC000826506631 587352930 /nfs/dbraw/zinc/35/29/30/587352930.db2.gz YKCGEXIWUIFPHU-UHFFFAOYSA-N -1 1 247.262 -0.016 20 0 BBADMM OC1(CNc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC000826506631 587352929 /nfs/dbraw/zinc/35/29/29/587352929.db2.gz YKCGEXIWUIFPHU-UHFFFAOYSA-N -1 1 247.262 -0.016 20 0 BBADMM OC1(Cn2cnc(-c3nn[n-]n3)n2)CCCC1 ZINC000826506672 587352940 /nfs/dbraw/zinc/35/29/40/587352940.db2.gz ZOJIUSJYPCQQRB-UHFFFAOYSA-N -1 1 235.251 -0.237 20 0 BBADMM O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826506765 587353235 /nfs/dbraw/zinc/35/32/35/587353235.db2.gz BFVMGYIZTDAXNK-SSDOTTSWSA-N -1 1 247.262 -0.382 20 0 BBADMM O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826506765 587353234 /nfs/dbraw/zinc/35/32/34/587353234.db2.gz BFVMGYIZTDAXNK-SSDOTTSWSA-N -1 1 247.262 -0.382 20 0 BBADMM O[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826506766 587353046 /nfs/dbraw/zinc/35/30/46/587353046.db2.gz BFVMGYIZTDAXNK-ZETCQYMHSA-N -1 1 247.262 -0.382 20 0 BBADMM O[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826506766 587353045 /nfs/dbraw/zinc/35/30/45/587353045.db2.gz BFVMGYIZTDAXNK-ZETCQYMHSA-N -1 1 247.262 -0.382 20 0 BBADMM OC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC000826508074 587352924 /nfs/dbraw/zinc/35/29/24/587352924.db2.gz CZLNOONPOXKTMS-MRVPVSSYSA-N -1 1 247.262 -0.161 20 0 BBADMM OC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC000826508074 587352923 /nfs/dbraw/zinc/35/29/23/587352923.db2.gz CZLNOONPOXKTMS-MRVPVSSYSA-N -1 1 247.262 -0.161 20 0 BBADMM OC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC000826508075 587352808 /nfs/dbraw/zinc/35/28/08/587352808.db2.gz CZLNOONPOXKTMS-QMMMGPOBSA-N -1 1 247.262 -0.161 20 0 BBADMM OC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC000826508075 587352807 /nfs/dbraw/zinc/35/28/07/587352807.db2.gz CZLNOONPOXKTMS-QMMMGPOBSA-N -1 1 247.262 -0.161 20 0 BBADMM OCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC000826508134 587353112 /nfs/dbraw/zinc/35/31/12/587353112.db2.gz FSCURDMOPJPFLZ-UHFFFAOYSA-N -1 1 247.262 -0.016 20 0 BBADMM OCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC000826508134 587353111 /nfs/dbraw/zinc/35/31/11/587353111.db2.gz FSCURDMOPJPFLZ-UHFFFAOYSA-N -1 1 247.262 -0.016 20 0 BBADMM OC[C@@H](O)CNc1cccc(-c2nn[n-]n2)n1 ZINC000826508152 587352887 /nfs/dbraw/zinc/35/28/87/587352887.db2.gz GISXZOVKZRMIHF-LURJTMIESA-N -1 1 236.235 -0.973 20 0 BBADMM OC[C@@H](O)CNc1cccc(-c2nnn[n-]2)n1 ZINC000826508152 587352886 /nfs/dbraw/zinc/35/28/86/587352886.db2.gz GISXZOVKZRMIHF-LURJTMIESA-N -1 1 236.235 -0.973 20 0 BBADMM OC[C@H](O)CNc1cccc(-c2nn[n-]n2)n1 ZINC000826508153 587352739 /nfs/dbraw/zinc/35/27/39/587352739.db2.gz GISXZOVKZRMIHF-ZCFIWIBFSA-N -1 1 236.235 -0.973 20 0 BBADMM OC[C@H](O)CNc1cccc(-c2nnn[n-]2)n1 ZINC000826508153 587352738 /nfs/dbraw/zinc/35/27/38/587352738.db2.gz GISXZOVKZRMIHF-ZCFIWIBFSA-N -1 1 236.235 -0.973 20 0 BBADMM OCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826508211 587352774 /nfs/dbraw/zinc/35/27/74/587352774.db2.gz HWGNBIQTUGAENI-UHFFFAOYSA-N -1 1 233.235 -0.407 20 0 BBADMM OCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826508211 587352773 /nfs/dbraw/zinc/35/27/73/587352773.db2.gz HWGNBIQTUGAENI-UHFFFAOYSA-N -1 1 233.235 -0.407 20 0 BBADMM OCC1(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826508591 587353193 /nfs/dbraw/zinc/35/31/93/587353193.db2.gz VGEBDFSSQFQAEC-UHFFFAOYSA-N -1 1 247.262 -0.159 20 0 BBADMM OCC1(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826508591 587353192 /nfs/dbraw/zinc/35/31/92/587353192.db2.gz VGEBDFSSQFQAEC-UHFFFAOYSA-N -1 1 247.262 -0.159 20 0 BBADMM OC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000826509527 587353816 /nfs/dbraw/zinc/35/38/16/587353816.db2.gz YBQOIEQITGPSRT-SSDOTTSWSA-N -1 1 247.262 -0.382 20 0 BBADMM OC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000826509527 587353815 /nfs/dbraw/zinc/35/38/15/587353815.db2.gz YBQOIEQITGPSRT-SSDOTTSWSA-N -1 1 247.262 -0.382 20 0 BBADMM OC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000826509528 587353711 /nfs/dbraw/zinc/35/37/11/587353711.db2.gz YBQOIEQITGPSRT-ZETCQYMHSA-N -1 1 247.262 -0.382 20 0 BBADMM OC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000826509528 587353710 /nfs/dbraw/zinc/35/37/10/587353710.db2.gz YBQOIEQITGPSRT-ZETCQYMHSA-N -1 1 247.262 -0.382 20 0 BBADMM OCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826509716 587353795 /nfs/dbraw/zinc/35/37/95/587353795.db2.gz GOQFLIMFJGGEDF-UHFFFAOYSA-N -1 1 207.197 -0.939 20 0 BBADMM OCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826509716 587353794 /nfs/dbraw/zinc/35/37/94/587353794.db2.gz GOQFLIMFJGGEDF-UHFFFAOYSA-N -1 1 207.197 -0.939 20 0 BBADMM OCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC000826509791 587353778 /nfs/dbraw/zinc/35/37/78/587353778.db2.gz JXMMAFDSZAWHJK-UHFFFAOYSA-N -1 1 247.262 -0.382 20 0 BBADMM OCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC000826509791 587353777 /nfs/dbraw/zinc/35/37/77/587353777.db2.gz JXMMAFDSZAWHJK-UHFFFAOYSA-N -1 1 247.262 -0.382 20 0 BBADMM OCCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826509891 587353100 /nfs/dbraw/zinc/35/31/00/587353100.db2.gz OYOIGLAQOZUBNQ-UHFFFAOYSA-N -1 1 221.224 -0.549 20 0 BBADMM OCCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826509891 587353099 /nfs/dbraw/zinc/35/30/99/587353099.db2.gz OYOIGLAQOZUBNQ-UHFFFAOYSA-N -1 1 221.224 -0.549 20 0 BBADMM c1cc(-c2nn[n-]n2)nnc1N[C@H]1CCOC1 ZINC000826514441 587353757 /nfs/dbraw/zinc/35/37/57/587353757.db2.gz RHKSTQCZYQHZGL-LURJTMIESA-N -1 1 233.235 -0.143 20 0 BBADMM c1cc(-c2nnn[n-]2)nnc1N[C@H]1CCOC1 ZINC000826514441 587353756 /nfs/dbraw/zinc/35/37/56/587353756.db2.gz RHKSTQCZYQHZGL-LURJTMIESA-N -1 1 233.235 -0.143 20 0 BBADMM c1cc(-c2nn[n-]n2)nnc1N[C@@H]1CCOC1 ZINC000826514442 587353802 /nfs/dbraw/zinc/35/38/02/587353802.db2.gz RHKSTQCZYQHZGL-ZCFIWIBFSA-N -1 1 233.235 -0.143 20 0 BBADMM c1cc(-c2nnn[n-]2)nnc1N[C@@H]1CCOC1 ZINC000826514442 587353801 /nfs/dbraw/zinc/35/38/01/587353801.db2.gz RHKSTQCZYQHZGL-ZCFIWIBFSA-N -1 1 233.235 -0.143 20 0 BBADMM c1cc(N2CCC2)nnc1-c1nn[n-]n1 ZINC000826516428 587353602 /nfs/dbraw/zinc/35/36/02/587353602.db2.gz KUVVOOFDJIBBTO-UHFFFAOYSA-N -1 1 203.209 -0.133 20 0 BBADMM c1cc(N2CCC2)nnc1-c1nnn[n-]1 ZINC000826516428 587353601 /nfs/dbraw/zinc/35/36/01/587353601.db2.gz KUVVOOFDJIBBTO-UHFFFAOYSA-N -1 1 203.209 -0.133 20 0 BBADMM c1cc(CNc2ccc(-c3nn[n-]n3)nn2)n[nH]1 ZINC000826516757 587353492 /nfs/dbraw/zinc/35/34/92/587353492.db2.gz ZYZYVYFFBVEXQD-UHFFFAOYSA-N -1 1 243.234 -0.008 20 0 BBADMM c1cc(CNc2ccc(-c3nnn[n-]3)nn2)n[nH]1 ZINC000826516757 587353491 /nfs/dbraw/zinc/35/34/91/587353491.db2.gz ZYZYVYFFBVEXQD-UHFFFAOYSA-N -1 1 243.234 -0.008 20 0 BBADMM c1cc(N2CCCOCC2)nnc1-c1nn[n-]n1 ZINC000826517004 587353782 /nfs/dbraw/zinc/35/37/82/587353782.db2.gz LWQDAKJSGLHGHU-UHFFFAOYSA-N -1 1 247.262 -0.117 20 0 BBADMM c1cc(N2CCCOCC2)nnc1-c1nnn[n-]1 ZINC000826517004 587353781 /nfs/dbraw/zinc/35/37/81/587353781.db2.gz LWQDAKJSGLHGHU-UHFFFAOYSA-N -1 1 247.262 -0.117 20 0 BBADMM c1cn(CC2OCCO2)c(-c2nn[n-]n2)n1 ZINC000826524665 587353540 /nfs/dbraw/zinc/35/35/40/587353540.db2.gz DQYFXQBFEJYHSF-UHFFFAOYSA-N -1 1 222.208 -0.564 20 0 BBADMM c1cn(CC2OCCO2)c(-c2nnn[n-]2)n1 ZINC000826524665 587353539 /nfs/dbraw/zinc/35/35/39/587353539.db2.gz DQYFXQBFEJYHSF-UHFFFAOYSA-N -1 1 222.208 -0.564 20 0 BBADMM c1cnc(-c2nn[n-]n2)c(N[C@H]2CCOC2)n1 ZINC000826524743 587353840 /nfs/dbraw/zinc/35/38/40/587353840.db2.gz IGCXVXNSUBKSRO-LURJTMIESA-N -1 1 233.235 -0.143 20 0 BBADMM c1cnc(-c2nnn[n-]2)c(N[C@H]2CCOC2)n1 ZINC000826524743 587353839 /nfs/dbraw/zinc/35/38/39/587353839.db2.gz IGCXVXNSUBKSRO-LURJTMIESA-N -1 1 233.235 -0.143 20 0 BBADMM c1cnc(-c2nn[n-]n2)c(N[C@@H]2CCOC2)n1 ZINC000826524744 587353650 /nfs/dbraw/zinc/35/36/50/587353650.db2.gz IGCXVXNSUBKSRO-ZCFIWIBFSA-N -1 1 233.235 -0.143 20 0 BBADMM c1cnc(-c2nnn[n-]2)c(N[C@@H]2CCOC2)n1 ZINC000826524744 587353649 /nfs/dbraw/zinc/35/36/49/587353649.db2.gz IGCXVXNSUBKSRO-ZCFIWIBFSA-N -1 1 233.235 -0.143 20 0 BBADMM c1cn(-c2ccc(-c3nn[n-]n3)nn2)cn1 ZINC000826524928 587353827 /nfs/dbraw/zinc/35/38/27/587353827.db2.gz OWEVIOAZUZFQJB-UHFFFAOYSA-N -1 1 214.192 -0.158 20 0 BBADMM c1cn(-c2ccc(-c3nnn[n-]3)nn2)cn1 ZINC000826524928 587353826 /nfs/dbraw/zinc/35/38/26/587353826.db2.gz OWEVIOAZUZFQJB-UHFFFAOYSA-N -1 1 214.192 -0.158 20 0 BBADMM c1cn(C[C@H]2CCOCO2)c(-c2nn[n-]n2)n1 ZINC000826525169 587353479 /nfs/dbraw/zinc/35/34/79/587353479.db2.gz YVTHGVPZWPYORF-SSDOTTSWSA-N -1 1 236.235 -0.174 20 0 BBADMM c1cn(C[C@H]2CCOCO2)c(-c2nnn[n-]2)n1 ZINC000826525169 587353478 /nfs/dbraw/zinc/35/34/78/587353478.db2.gz YVTHGVPZWPYORF-SSDOTTSWSA-N -1 1 236.235 -0.174 20 0 BBADMM c1cn(C[C@@H]2CCOCO2)c(-c2nn[n-]n2)n1 ZINC000826525170 587353904 /nfs/dbraw/zinc/35/39/04/587353904.db2.gz YVTHGVPZWPYORF-ZETCQYMHSA-N -1 1 236.235 -0.174 20 0 BBADMM c1cn(C[C@@H]2CCOCO2)c(-c2nnn[n-]2)n1 ZINC000826525170 587353903 /nfs/dbraw/zinc/35/39/03/587353903.db2.gz YVTHGVPZWPYORF-ZETCQYMHSA-N -1 1 236.235 -0.174 20 0 BBADMM c1cnn(CCn2ccnc2-c2nn[n-]n2)c1 ZINC000826526128 587353594 /nfs/dbraw/zinc/35/35/94/587353594.db2.gz LVXHAHYRGJRFKJ-UHFFFAOYSA-N -1 1 230.235 -0.040 20 0 BBADMM c1cnn(CCn2ccnc2-c2nnn[n-]2)c1 ZINC000826526128 587353593 /nfs/dbraw/zinc/35/35/93/587353593.db2.gz LVXHAHYRGJRFKJ-UHFFFAOYSA-N -1 1 230.235 -0.040 20 0 BBADMM c1csc(Cn2cnc(-c3nn[n-]n3)n2)n1 ZINC000826526699 587354168 /nfs/dbraw/zinc/35/41/68/587354168.db2.gz JQOIFHUPERMMIJ-UHFFFAOYSA-N -1 1 234.248 -0.037 20 0 BBADMM CC(C)(CC(=O)[O-])NCc1nc(N)nc(N)n1 ZINC000826542101 587354292 /nfs/dbraw/zinc/35/42/92/587354292.db2.gz IWRUKCAAIXVHRM-UHFFFAOYSA-N -1 1 240.267 -0.621 20 0 BBADMM CC(C)(CNC(=O)CCc1nc[nH]n1)C(=O)[O-] ZINC000826562029 587355146 /nfs/dbraw/zinc/35/51/46/587355146.db2.gz WVWLOSJTPXRXQG-UHFFFAOYSA-N -1 1 240.263 -0.036 20 0 BBADMM CCC[C@@H](NC(=O)CNC(=O)[O-])c1nn[nH]n1 ZINC000826743964 587361048 /nfs/dbraw/zinc/36/10/48/587361048.db2.gz NBRWXVYRSNCRFS-RXMQYKEDSA-N -1 1 242.239 -0.575 20 0 BBADMM CCC[C@H](NC(=O)CNC(=O)[O-])c1nn[nH]n1 ZINC000826743982 587360898 /nfs/dbraw/zinc/36/08/98/587360898.db2.gz NBRWXVYRSNCRFS-YFKPBYRVSA-N -1 1 242.239 -0.575 20 0 BBADMM CCC[C@@H](NC(=O)[O-])C(=O)NCc1c[nH]nn1 ZINC000826759216 587361417 /nfs/dbraw/zinc/36/14/17/587361417.db2.gz XQINTEGPFOAIEF-SSDOTTSWSA-N -1 1 241.251 -0.143 20 0 BBADMM CCC[C@H](NC(=O)[O-])C(=O)NCc1c[nH]nn1 ZINC000826759219 587361389 /nfs/dbraw/zinc/36/13/89/587361389.db2.gz XQINTEGPFOAIEF-ZETCQYMHSA-N -1 1 241.251 -0.143 20 0 BBADMM CC(C)N(CCC(=O)[O-])CN1C[C@H](O)CC1=O ZINC000826946646 587366557 /nfs/dbraw/zinc/36/65/57/587366557.db2.gz HULHWCWWBMHSLQ-SECBINFHSA-N -1 1 244.291 -0.278 20 0 BBADMM CC(C)N(CCC(=O)[O-])CN1C[C@@H](O)CC1=O ZINC000826946651 587366435 /nfs/dbraw/zinc/36/64/35/587366435.db2.gz HULHWCWWBMHSLQ-VIFPVBQESA-N -1 1 244.291 -0.278 20 0 BBADMM CCN(CC(=O)N(C)Cc1nnc[nH]1)C(=O)[O-] ZINC000826997385 587367606 /nfs/dbraw/zinc/36/76/06/587367606.db2.gz ZMKBBNPAPBBDLP-UHFFFAOYSA-N -1 1 241.251 -0.237 20 0 BBADMM CCN(CC(=O)N[C@@H](C)c1nnc[nH]1)C(=O)[O-] ZINC000827001628 587367690 /nfs/dbraw/zinc/36/76/90/587367690.db2.gz BWHLALHBMFCJMD-LURJTMIESA-N -1 1 241.251 -0.018 20 0 BBADMM CCN(CC(=O)N[C@H](C)c1nnc[nH]1)C(=O)[O-] ZINC000827001637 587367899 /nfs/dbraw/zinc/36/78/99/587367899.db2.gz BWHLALHBMFCJMD-ZCFIWIBFSA-N -1 1 241.251 -0.018 20 0 BBADMM CCN(CC(=O)NCCc1nc[nH]n1)C(=O)[O-] ZINC000827009880 603927258 /nfs/dbraw/zinc/92/72/58/603927258.db2.gz UBRGORLNAMDBAY-UHFFFAOYSA-N -1 1 241.251 -0.537 20 0 BBADMM CCN(CC(=O)NCc1c[nH]nn1)C(=O)[O-] ZINC000827010067 603951544 /nfs/dbraw/zinc/95/15/44/603951544.db2.gz ZLOHCUXCNJQFOQ-UHFFFAOYSA-N -1 1 227.224 -0.579 20 0 BBADMM CCN(CC(=O)OCCc1c[nH]nn1)C(=O)[O-] ZINC000827014904 587368122 /nfs/dbraw/zinc/36/81/22/587368122.db2.gz YXKFMPIPKPOVHR-UHFFFAOYSA-N -1 1 242.235 -0.110 20 0 BBADMM CC(C)OC[C@H](C(=O)[O-])N(C)CCO ZINC000827015489 587367248 /nfs/dbraw/zinc/36/72/48/587367248.db2.gz DAYIGPAZJFROSL-MRVPVSSYSA-N -1 1 205.254 -0.211 20 0 BBADMM CC(C)OC[C@@H](C(=O)[O-])N(C)CCO ZINC000827015492 587367329 /nfs/dbraw/zinc/36/73/29/587367329.db2.gz DAYIGPAZJFROSL-QMMMGPOBSA-N -1 1 205.254 -0.211 20 0 BBADMM CC(C)[C@H](NCC(=O)N1CCNC1=O)C(=O)[O-] ZINC000827092086 587369804 /nfs/dbraw/zinc/36/98/04/587369804.db2.gz QSQFMAHHDRMPCT-QMMMGPOBSA-N -1 1 243.263 -0.763 20 0 BBADMM CC(C)[C@H](NCc1nc(N)nc(N)n1)C(=O)[O-] ZINC000827097109 587370081 /nfs/dbraw/zinc/37/00/81/587370081.db2.gz CDLAVOMREADJDI-LURJTMIESA-N -1 1 240.267 -0.765 20 0 BBADMM CCN(CCNCc1cnnn1C)C(=O)[O-] ZINC000827150378 587371431 /nfs/dbraw/zinc/37/14/31/587371431.db2.gz DXNSYEUEAQPNNN-UHFFFAOYSA-N -1 1 227.268 -0.095 20 0 BBADMM CCN(CCNC(=O)c1nc[nH]n1)C(=O)[O-] ZINC000827151050 587371301 /nfs/dbraw/zinc/37/13/01/587371301.db2.gz STAJOFTVDYMGQJ-UHFFFAOYSA-N -1 1 227.224 -0.466 20 0 BBADMM CCN(CCNC(=O)c1ncn[nH]1)C(=O)[O-] ZINC000827151050 587371300 /nfs/dbraw/zinc/37/13/00/587371300.db2.gz STAJOFTVDYMGQJ-UHFFFAOYSA-N -1 1 227.224 -0.466 20 0 BBADMM C[C@H](CC(=O)[O-])C(=O)NCc1c[nH]nn1 ZINC000827295164 587375716 /nfs/dbraw/zinc/37/57/16/587375716.db2.gz FJVAFKRWIXRXOP-RXMQYKEDSA-N -1 1 212.209 -0.468 20 0 BBADMM C[C@@H](CC(=O)[O-])C(=O)NCc1c[nH]nn1 ZINC000827295165 587375868 /nfs/dbraw/zinc/37/58/68/587375868.db2.gz FJVAFKRWIXRXOP-YFKPBYRVSA-N -1 1 212.209 -0.468 20 0 BBADMM CCOCCN1CCN(CCNC(=O)[O-])CC1 ZINC000827399638 587379734 /nfs/dbraw/zinc/37/97/34/587379734.db2.gz LMVRUKQUJMOVCM-UHFFFAOYSA-N -1 1 245.323 -0.092 20 0 BBADMM C[C@H](CN(C)C(=O)CCc1nc[nH]n1)C(=O)[O-] ZINC000827436768 587381080 /nfs/dbraw/zinc/38/10/80/587381080.db2.gz JEQAAJMLOWRNFG-SSDOTTSWSA-N -1 1 240.263 -0.084 20 0 BBADMM C[C@@H](CN(C)C(=O)CCc1nc[nH]n1)C(=O)[O-] ZINC000827436769 587381168 /nfs/dbraw/zinc/38/11/68/587381168.db2.gz JEQAAJMLOWRNFG-ZETCQYMHSA-N -1 1 240.263 -0.084 20 0 BBADMM C[C@@H](CNC(=O)[C@H](C)N(C)C)C(=O)[O-] ZINC000827496802 587383413 /nfs/dbraw/zinc/38/34/13/587383413.db2.gz HJSMEPHLUAYEOB-BQBZGAKWSA-N -1 1 202.254 -0.227 20 0 BBADMM C[C@H](CNC(=O)[C@H](C)N(C)C)C(=O)[O-] ZINC000827496804 587383128 /nfs/dbraw/zinc/38/31/28/587383128.db2.gz HJSMEPHLUAYEOB-RQJHMYQMSA-N -1 1 202.254 -0.227 20 0 BBADMM CC[C@H](NC(=O)[O-])C(=O)N(C)Cc1nnc[nH]1 ZINC000827514309 587385068 /nfs/dbraw/zinc/38/50/68/587385068.db2.gz LXPGYKCCRRSAGK-LURJTMIESA-N -1 1 241.251 -0.191 20 0 BBADMM CC[C@H](NC(=O)[O-])C(=O)NCc1c[nH]nn1 ZINC000827524400 587385976 /nfs/dbraw/zinc/38/59/76/587385976.db2.gz KFEXGKSNPKDPRG-LURJTMIESA-N -1 1 227.224 -0.533 20 0 BBADMM CC[C@H](NC(=O)[O-])C(=O)NCCc1nc[nH]n1 ZINC000827524582 587385913 /nfs/dbraw/zinc/38/59/13/587385913.db2.gz NISJHUGODZRISY-LURJTMIESA-N -1 1 241.251 -0.490 20 0 BBADMM CC[C@H](NC(=O)[O-])C(=O)OCCc1c[nH]nn1 ZINC000827543731 587386990 /nfs/dbraw/zinc/38/69/90/587386990.db2.gz JETSUIINANPTLP-ZETCQYMHSA-N -1 1 242.235 -0.063 20 0 BBADMM C[C@](NCC(=O)NC(N)=O)(C(=O)[O-])C1CC1 ZINC000827726670 587399831 /nfs/dbraw/zinc/39/98/31/587399831.db2.gz BEVVSDFWMKVPOX-SECBINFHSA-N -1 1 229.236 -0.976 20 0 BBADMM C[C@@](NCC(=O)NC(N)=O)(C(=O)[O-])C1CC1 ZINC000827726671 587399867 /nfs/dbraw/zinc/39/98/67/587399867.db2.gz BEVVSDFWMKVPOX-VIFPVBQESA-N -1 1 229.236 -0.976 20 0 BBADMM C[C@@H](O)CCN(C)[C@H](C)C(=O)NCC(=O)[O-] ZINC000827795803 587402427 /nfs/dbraw/zinc/40/24/27/587402427.db2.gz CUGDKFAOCLGASS-HTQZYQBOSA-N -1 1 232.280 -0.722 20 0 BBADMM C[C@H](C(=O)NCC(=O)[O-])N(C)CC[C@H](C)O ZINC000827795804 587402442 /nfs/dbraw/zinc/40/24/42/587402442.db2.gz CUGDKFAOCLGASS-JGVFFNPUSA-N -1 1 232.280 -0.722 20 0 BBADMM C[C@@H](O)CCN(C)[C@@H](C)C(=O)NCC(=O)[O-] ZINC000827795805 587402508 /nfs/dbraw/zinc/40/25/08/587402508.db2.gz CUGDKFAOCLGASS-SFYZADRCSA-N -1 1 232.280 -0.722 20 0 BBADMM C[C@H](O)CCN(C)[C@@H](C)C(=O)NCC(=O)[O-] ZINC000827795806 587402565 /nfs/dbraw/zinc/40/25/65/587402565.db2.gz CUGDKFAOCLGASS-YUMQZZPRSA-N -1 1 232.280 -0.722 20 0 BBADMM C[C@@H](O)CCN(C)CC(=O)NCCC(=O)[O-] ZINC000827796104 587402808 /nfs/dbraw/zinc/40/28/08/587402808.db2.gz LOKHMEUAEUIGKU-MRVPVSSYSA-N -1 1 232.280 -0.720 20 0 BBADMM C[C@H](O)CCN(C)CC(=O)NCCC(=O)[O-] ZINC000827796105 587402754 /nfs/dbraw/zinc/40/27/54/587402754.db2.gz LOKHMEUAEUIGKU-QMMMGPOBSA-N -1 1 232.280 -0.720 20 0 BBADMM CN(C(=O)[O-])[C@@H]1CCN([C@H]2CCCNC2=O)C1 ZINC000827881303 587407125 /nfs/dbraw/zinc/40/71/25/587407125.db2.gz BLVMNDGXDLXCRP-BDAKNGLRSA-N -1 1 241.291 -0.051 20 0 BBADMM CN(C(=O)[O-])[C@H]1CCN([C@@H]2CCCNC2=O)C1 ZINC000827881305 587406855 /nfs/dbraw/zinc/40/68/55/587406855.db2.gz BLVMNDGXDLXCRP-DTWKUNHWSA-N -1 1 241.291 -0.051 20 0 BBADMM CN(C(=O)[O-])[C@H]1CCN([C@H]2CCCNC2=O)C1 ZINC000827881307 587407047 /nfs/dbraw/zinc/40/70/47/587407047.db2.gz BLVMNDGXDLXCRP-IUCAKERBSA-N -1 1 241.291 -0.051 20 0 BBADMM CN(C(=O)[O-])[C@@H]1CCN([C@@H]2CCCNC2=O)C1 ZINC000827881309 587406844 /nfs/dbraw/zinc/40/68/44/587406844.db2.gz BLVMNDGXDLXCRP-RKDXNWHRSA-N -1 1 241.291 -0.051 20 0 BBADMM C[C@H](Sc1c[nH]nn1)C(=O)NCC(=O)[O-] ZINC000827922111 587409824 /nfs/dbraw/zinc/40/98/24/587409824.db2.gz LYCVIBRYYNCHJH-BYPYZUCNSA-N -1 1 230.249 -0.514 20 0 BBADMM C[C@@H](Sc1c[nH]nn1)C(=O)NCC(=O)[O-] ZINC000827922114 587409797 /nfs/dbraw/zinc/40/97/97/587409797.db2.gz LYCVIBRYYNCHJH-SCSAIBSYSA-N -1 1 230.249 -0.514 20 0 BBADMM CN(C)C(=O)CN1CCC[C@@H]1CNC(=O)[O-] ZINC000827961462 587413464 /nfs/dbraw/zinc/41/34/64/587413464.db2.gz WEUVYYPVEAOAGK-MRVPVSSYSA-N -1 1 229.280 -0.193 20 0 BBADMM CN(C)C(=O)CN1CCC[C@H]1CNC(=O)[O-] ZINC000827961463 587413448 /nfs/dbraw/zinc/41/34/48/587413448.db2.gz WEUVYYPVEAOAGK-QMMMGPOBSA-N -1 1 229.280 -0.193 20 0 BBADMM CN(C)CC(=O)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000828008545 587416541 /nfs/dbraw/zinc/41/65/41/587416541.db2.gz HWULCZUQXMIBLE-MRVPVSSYSA-N -1 1 229.280 -0.241 20 0 BBADMM CN(C)CC(=O)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000828008546 587416494 /nfs/dbraw/zinc/41/64/94/587416494.db2.gz HWULCZUQXMIBLE-QMMMGPOBSA-N -1 1 229.280 -0.241 20 0 BBADMM CN(C)CC(=O)NC1CN(C(=O)[O-])C1 ZINC000828009329 587416684 /nfs/dbraw/zinc/41/66/84/587416684.db2.gz MKEKQLOTPHBYCV-UHFFFAOYSA-N -1 1 201.226 -0.974 20 0 BBADMM CN(C)CC(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000828010780 587416556 /nfs/dbraw/zinc/41/65/56/587416556.db2.gz UPIAJRSABYXEEK-MRVPVSSYSA-N -1 1 229.280 -0.193 20 0 BBADMM 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BBADMM CN(C[C@@H]1CCN([C@H]2CCNC2=O)C1)C(=O)[O-] ZINC000828260948 584902903 /nfs/dbraw/zinc/90/29/03/584902903.db2.gz XJKUJOBLJBAWIT-IUCAKERBSA-N -1 1 241.291 -0.193 20 0 BBADMM CN(C[C@H]1CCN([C@@H]2CCNC2=O)C1)C(=O)[O-] ZINC000828260955 584903057 /nfs/dbraw/zinc/90/30/57/584903057.db2.gz XJKUJOBLJBAWIT-RKDXNWHRSA-N -1 1 241.291 -0.193 20 0 BBADMM CN(CCCC(=O)NCc1c[nH]nn1)C(=O)[O-] ZINC000828284526 587431309 /nfs/dbraw/zinc/43/13/09/587431309.db2.gz BQDNADIMRQUKGG-UHFFFAOYSA-N -1 1 241.251 -0.189 20 0 BBADMM CN(CCCNC(=O)[O-])[C@@H]1CCNC1=O ZINC000828301814 645103128 /nfs/dbraw/zinc/10/31/28/645103128.db2.gz FZNNFGBPOIDRLI-SSDOTTSWSA-N -1 1 215.253 -0.536 20 0 BBADMM CN(CCCNC(=O)[O-])[C@H]1CCNC1=O ZINC000828301815 587432479 /nfs/dbraw/zinc/43/24/79/587432479.db2.gz FZNNFGBPOIDRLI-ZETCQYMHSA-N -1 1 215.253 -0.536 20 0 BBADMM CN(CCCNCc1cn(C)nn1)C(=O)[O-] ZINC000828304892 603161692 /nfs/dbraw/zinc/16/16/92/603161692.db2.gz CVOXBVCCHWYNGE-UHFFFAOYSA-N -1 1 227.268 -0.095 20 0 BBADMM 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BBADMM CN(C(=O)[O-])[C@@H]1CCN([C@H]2CCN(C)C2=O)C1 ZINC000828464521 587444219 /nfs/dbraw/zinc/44/42/19/587444219.db2.gz CKIQFQXUVCRDHQ-BDAKNGLRSA-N -1 1 241.291 -0.099 20 0 BBADMM CN(C(=O)[O-])[C@H]1CCN([C@@H]2CCN(C)C2=O)C1 ZINC000828464523 587444153 /nfs/dbraw/zinc/44/41/53/587444153.db2.gz CKIQFQXUVCRDHQ-DTWKUNHWSA-N -1 1 241.291 -0.099 20 0 BBADMM CN(C(=O)[O-])[C@H]1CCN([C@H]2CCN(C)C2=O)C1 ZINC000828464524 587444184 /nfs/dbraw/zinc/44/41/84/587444184.db2.gz CKIQFQXUVCRDHQ-IUCAKERBSA-N -1 1 241.291 -0.099 20 0 BBADMM CN(C(=O)[O-])[C@@H]1CCN([C@@H]2CCN(C)C2=O)C1 ZINC000828464526 587444141 /nfs/dbraw/zinc/44/41/41/587444141.db2.gz CKIQFQXUVCRDHQ-RKDXNWHRSA-N -1 1 241.291 -0.099 20 0 BBADMM CN1CCC[C@@H](NC(=O)C2(NC(=O)[O-])CC2)C1 ZINC000828481646 587445175 /nfs/dbraw/zinc/44/51/75/587445175.db2.gz QTVYCTQPRRMPMR-MRVPVSSYSA-N -1 1 241.291 -0.003 20 0 BBADMM CN1CCC[C@H](NC(=O)C2(NC(=O)[O-])CC2)C1 ZINC000828481647 587444999 /nfs/dbraw/zinc/44/49/99/587444999.db2.gz 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/nfs/dbraw/zinc/44/63/29/584446329.db2.gz VYJNKCXFBCPRAG-ZCFIWIBFSA-N -1 1 224.220 -0.577 20 0 BBADMM C[C@@H](C(=O)[O-])N(C)C(=O)CCc1cnn[nH]1 ZINC000901451781 584443650 /nfs/dbraw/zinc/44/36/50/584443650.db2.gz SPKNLEARBXZPTB-LURJTMIESA-N -1 1 226.236 -0.331 20 0 BBADMM C[C@@H](C(=O)[O-])N(C)C(=O)CCc1c[nH]nn1 ZINC000901451781 584443647 /nfs/dbraw/zinc/44/36/47/584443647.db2.gz SPKNLEARBXZPTB-LURJTMIESA-N -1 1 226.236 -0.331 20 0 BBADMM C[C@H](C(=O)[O-])N(C)C(=O)CCc1cnn[nH]1 ZINC000901451782 584443875 /nfs/dbraw/zinc/44/38/75/584443875.db2.gz SPKNLEARBXZPTB-ZCFIWIBFSA-N -1 1 226.236 -0.331 20 0 BBADMM C[C@H](C(=O)[O-])N(C)C(=O)CCc1c[nH]nn1 ZINC000901451782 584443873 /nfs/dbraw/zinc/44/38/73/584443873.db2.gz SPKNLEARBXZPTB-ZCFIWIBFSA-N -1 1 226.236 -0.331 20 0 BBADMM C[C@H](C(=O)[O-])N(C)C(=O)Cc1ncn[nH]1 ZINC000901452348 584443504 /nfs/dbraw/zinc/44/35/04/584443504.db2.gz XGEBQQVUFOIPDD-RXMQYKEDSA-N -1 1 212.209 -0.721 20 0 BBADMM C[C@@H](C(=O)[O-])N(C)C(=O)Cc1ncn[nH]1 ZINC000901452349 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