smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[C@H](CNS(=O)(=O)c2cc(C(=O)[O-])no2)[C@H](C)O1 ZINC000686352075 976108141 /nfs/dbraw/zinc/10/81/41/976108141.db2.gz OCUHQZRWJCKQQI-GJMOJQLCSA-N -1 1 304.324 0.465 10 0 DCAEMM Nc1cc(=O)[n-]c(SCN2C(=O)c3ccccc3C2=O)n1 ZINC000005888967 181293873 /nfs/dbraw/zinc/29/38/73/181293873.db2.gz ZNUQKQSDYNNHEM-UHFFFAOYSA-N -1 1 302.315 0.698 10 0 DCAEMM CC[C@@H]1C(=O)NCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000106504396 194219992 /nfs/dbraw/zinc/21/99/92/194219992.db2.gz NIUPKLBLRCNXCF-LLVKDONJSA-N -1 1 300.318 0.274 10 0 DCAEMM Cc1cccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c1 ZINC000061145388 184163300 /nfs/dbraw/zinc/16/33/00/184163300.db2.gz BQMBUFNIALNBQB-UHFFFAOYSA-N -1 1 312.391 0.776 10 0 DCAEMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCc1nccs1 ZINC000063140267 184273217 /nfs/dbraw/zinc/27/32/17/184273217.db2.gz XTPMXGRLYVZLOL-UHFFFAOYSA-N -1 1 305.406 0.722 10 0 DCAEMM Cc1ccc2c([O-])c(C(=O)N3CCS(=O)CC3)cnc2n1 ZINC000108896551 395794649 /nfs/dbraw/zinc/79/46/49/395794649.db2.gz AWNJLEMLFJTFNL-UHFFFAOYSA-N -1 1 305.359 0.848 10 0 DCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCS(=O)CC1)c2=O ZINC000108896551 395794651 /nfs/dbraw/zinc/79/46/51/395794651.db2.gz AWNJLEMLFJTFNL-UHFFFAOYSA-N -1 1 305.359 0.848 10 0 DCAEMM O=C(N[C@H]1CCCn2ncnc21)c1nc2ccccc2c(=O)[n-]1 ZINC000176835301 396161623 /nfs/dbraw/zinc/16/16/23/396161623.db2.gz STDOZNYWGHSDLJ-NSHDSACASA-N -1 1 310.317 0.780 10 0 DCAEMM C[C@]1(C(=O)NCc2nn[n-]n2)CCCN1C(=O)c1ccccc1 ZINC000604867735 397656141 /nfs/dbraw/zinc/65/61/41/397656141.db2.gz HFDAHPRRXBOZIJ-OAHLLOKOSA-N -1 1 314.349 0.511 10 0 DCAEMM CC(C)COC[C@@H](O)CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000079402404 158078690 /nfs/dbraw/zinc/07/86/90/158078690.db2.gz AUUPSKNUUCDOCU-NSHDSACASA-N -1 1 319.361 0.686 10 0 DCAEMM C[C@H](CS(C)(=O)=O)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000172133979 158391127 /nfs/dbraw/zinc/39/11/27/158391127.db2.gz ZCKNVORLBXGAOK-MRVPVSSYSA-N -1 1 309.347 0.086 10 0 DCAEMM O=C(C[C@H]1CCCCC(=O)N1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000408464828 160114799 /nfs/dbraw/zinc/11/47/99/160114799.db2.gz FWTMKALZNHHWEI-WDEREUQCSA-N -1 1 322.365 0.930 10 0 DCAEMM CCOC(=O)C[C@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000152113736 287038640 /nfs/dbraw/zinc/03/86/40/287038640.db2.gz AANFVYHVBBOVIT-VIFPVBQESA-N -1 1 303.318 0.995 10 0 DCAEMM C[C@H]1CC[C@H](CCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)O1 ZINC000439151732 416608751 /nfs/dbraw/zinc/60/87/51/416608751.db2.gz KUOJNBJCKULLJJ-JGVFFNPUSA-N -1 1 302.356 0.494 10 0 DCAEMM C[C@H]1CC[C@H](CCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)O1 ZINC000439151732 416608754 /nfs/dbraw/zinc/60/87/54/416608754.db2.gz KUOJNBJCKULLJJ-JGVFFNPUSA-N -1 1 302.356 0.494 10 0 DCAEMM O=S(=O)(c1ccccc1)N1CCOC[C@H](c2nn[n-]n2)C1 ZINC000616592077 417083772 /nfs/dbraw/zinc/08/37/72/417083772.db2.gz BQFKFGXZOKVSFS-SNVBAGLBSA-N -1 1 309.351 0.004 10 0 DCAEMM COc1ccc2c(c1)[n-]cc(C(=O)N[C@H](C)CC(N)=O)c2=O ZINC000439323285 287385993 /nfs/dbraw/zinc/38/59/93/287385993.db2.gz MNHXKKNNJAMUIP-MRVPVSSYSA-N -1 1 303.318 0.530 10 0 DCAEMM CCc1cccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1O ZINC000531431961 417621561 /nfs/dbraw/zinc/62/15/61/417621561.db2.gz DCEXYIBMWQUWJO-UHFFFAOYSA-N -1 1 310.335 0.729 10 0 DCAEMM CCc1cccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1O ZINC000531431961 417621566 /nfs/dbraw/zinc/62/15/66/417621566.db2.gz DCEXYIBMWQUWJO-UHFFFAOYSA-N -1 1 310.335 0.729 10 0 DCAEMM CC(=O)[C@@H]1C[C@H](C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1(C)C ZINC000547745120 288075185 /nfs/dbraw/zinc/07/51/85/288075185.db2.gz WUQIWFUMEQDHJU-JGVFFNPUSA-N -1 1 314.367 0.398 10 0 DCAEMM CC(=O)[C@@H]1C[C@H](C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1(C)C ZINC000547745120 288075186 /nfs/dbraw/zinc/07/51/86/288075186.db2.gz WUQIWFUMEQDHJU-JGVFFNPUSA-N -1 1 314.367 0.398 10 0 DCAEMM CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)C(F)(F)C(F)F)C1 ZINC000262765269 662571731 /nfs/dbraw/zinc/57/17/31/662571731.db2.gz GHAXHIGLBGCNDP-UHFFFAOYSA-N -1 1 300.252 0.941 10 0 DCAEMM O=S(=O)([N-][C@H]1CCOC[C@H]1O)c1ccc(Cl)nc1F ZINC000707061914 667431038 /nfs/dbraw/zinc/43/10/38/667431038.db2.gz ITBIHLPPISVPBM-NKWVEPMBSA-N -1 1 310.734 0.302 10 0 DCAEMM C[C@H](CC[N-]S(=O)(=O)c1ncn(C)c1Cl)[S@](C)=O ZINC000123973167 667871302 /nfs/dbraw/zinc/87/13/02/667871302.db2.gz JIWLGQCVNZNDDH-IWEMQMMOSA-N -1 1 313.832 0.509 10 0 DCAEMM CCOCCS(=O)(=O)[N-]C(=O)c1[nH]nc2c1CCCC2 ZINC000111982116 670531590 /nfs/dbraw/zinc/53/15/90/670531590.db2.gz OTZJSMSDNCYSMW-UHFFFAOYSA-N -1 1 301.368 0.385 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCNC(=O)CC2)c1Cl ZINC000396728476 685271007 /nfs/dbraw/zinc/27/10/07/685271007.db2.gz BVVXGNZSTYUPKW-ZETCQYMHSA-N -1 1 306.775 0.021 10 0 DCAEMM O=C([O-])[C@H]1Cc2nc[nH]c2CN1S(=O)(=O)c1cccs1 ZINC000092778583 304205595 /nfs/dbraw/zinc/20/55/95/304205595.db2.gz CCYTVYDEXQMGBI-SECBINFHSA-N -1 1 313.360 0.671 10 0 DCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCC[C@H](O)C1 ZINC000037732134 395729155 /nfs/dbraw/zinc/72/91/55/395729155.db2.gz NROGWSRYGPWUTD-IUCAKERBSA-N -1 1 317.367 0.168 10 0 DCAEMM CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)OC)co2)C1 ZINC000152052435 395999391 /nfs/dbraw/zinc/99/93/91/395999391.db2.gz MUDUECPJSXXXIQ-LLVKDONJSA-N -1 1 316.379 0.829 10 0 DCAEMM O=C(NC[C@H](O)CN1CCOCC1)c1ccc(Cl)cc1[O-] ZINC000154139849 396032090 /nfs/dbraw/zinc/03/20/90/396032090.db2.gz GECVRXIEPKSSOL-NSHDSACASA-N -1 1 314.769 0.469 10 0 DCAEMM CN1CCO[C@H](C[N-]S(=O)(=O)c2cccc(F)c2F)C1 ZINC000171094488 396106544 /nfs/dbraw/zinc/10/65/44/396106544.db2.gz BKXUCJOXEISLQQ-SECBINFHSA-N -1 1 306.334 0.574 10 0 DCAEMM CC(C)N1CC[C@@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C1=O ZINC000114779176 158156475 /nfs/dbraw/zinc/15/64/75/158156475.db2.gz OVYSNLFBQCBABR-GFCCVEGCSA-N -1 1 314.345 0.662 10 0 DCAEMM Cc1ccc2c([O-])c(C(=O)NCc3nccc(N)n3)cnc2n1 ZINC000120572651 158200672 /nfs/dbraw/zinc/20/06/72/158200672.db2.gz NQGBDAHJNZUEDW-UHFFFAOYSA-N -1 1 310.317 0.946 10 0 DCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)NCc1nccc(N)n1)c2=O ZINC000120572651 158200673 /nfs/dbraw/zinc/20/06/73/158200673.db2.gz NQGBDAHJNZUEDW-UHFFFAOYSA-N -1 1 310.317 0.946 10 0 DCAEMM C[C@@H](CCS(C)(=O)=O)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000128154184 158278974 /nfs/dbraw/zinc/27/89/74/158278974.db2.gz AINPWYQYINVRCB-VIFPVBQESA-N -1 1 323.374 0.476 10 0 DCAEMM NC(=O)COCC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000133066073 158316168 /nfs/dbraw/zinc/31/61/68/158316168.db2.gz ABSZSLRDPXHQKP-UHFFFAOYSA-N -1 1 310.734 0.259 10 0 DCAEMM Cc1nc(CN2CCCN(C(=O)c3cncc([O-])c3)CC2)no1 ZINC000172408731 158394223 /nfs/dbraw/zinc/39/42/23/158394223.db2.gz QQJFRSIWEHVAGQ-UHFFFAOYSA-N -1 1 317.349 0.827 10 0 DCAEMM Cc1cnc(C(=O)N2CCN(C)[C@H](c3nccn3C)C2)c([O-])c1 ZINC000408106992 160037016 /nfs/dbraw/zinc/03/70/16/160037016.db2.gz MPSJKWUPXSYMIA-LBPRGKRZSA-N -1 1 315.377 0.958 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2CO)o1 ZINC000408137567 160044998 /nfs/dbraw/zinc/04/49/98/160044998.db2.gz JQAZUDGQQIHVKE-ZJUUUORDSA-N -1 1 316.379 0.421 10 0 DCAEMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCO2)c(F)c1 ZINC000408211389 160060853 /nfs/dbraw/zinc/06/08/53/160060853.db2.gz OPHUJOWYPWTNJY-UHFFFAOYSA-N -1 1 324.355 0.523 10 0 DCAEMM COCCn1ccc([N-]S(=O)(=O)N2CCC[C@H](C)C2)n1 ZINC000172891036 416049554 /nfs/dbraw/zinc/04/95/54/416049554.db2.gz MTQTVUNNKJPIDH-NSHDSACASA-N -1 1 302.400 0.918 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)c1ccc(-c2ccccn2)[nH]c1=O ZINC000357062066 416028834 /nfs/dbraw/zinc/02/88/34/416028834.db2.gz VRWCQUXUPRIXAU-UHFFFAOYSA-N -1 1 323.316 0.781 10 0 DCAEMM C[C@@H](CC(=O)NC1(c2nn[n-]n2)CC1)NC(=O)c1ccccc1 ZINC000357076854 416030352 /nfs/dbraw/zinc/03/03/52/416030352.db2.gz RGJDUQWSYZASFD-JTQLQIEISA-N -1 1 314.349 0.514 10 0 DCAEMM CN(C)c1nc(CS(=O)(=O)c2n[n-]c(C3CC3)n2)ns1 ZINC000180209490 416194270 /nfs/dbraw/zinc/19/42/70/416194270.db2.gz VPKPABGYDFXWCW-UHFFFAOYSA-N -1 1 314.396 0.574 10 0 DCAEMM C/C=C/C[C@H]([N-]S(=O)(=O)C[C@@H](C)C(=O)OC)C(=O)OCC ZINC000440089164 416624803 /nfs/dbraw/zinc/62/48/03/416624803.db2.gz CUBXBYOEBDLEAB-HQVCXTMKSA-N -1 1 321.395 0.613 10 0 DCAEMM C/C=C/C[C@@H]([N-]S(=O)(=O)Cc1ccon1)C(=O)OCC ZINC000440089570 416625714 /nfs/dbraw/zinc/62/57/14/416625714.db2.gz DQRPLVUNENKHRO-JOAKQRRISA-N -1 1 302.352 0.992 10 0 DCAEMM CC(C)(C)OC(=O)NCCN1CCCOC[C@H]1c1nn[n-]n1 ZINC000616647358 417088156 /nfs/dbraw/zinc/08/81/56/417088156.db2.gz FSYWOAQZKLPVJK-JTQLQIEISA-N -1 1 312.374 0.488 10 0 DCAEMM CC(C)(C)OC(=O)NCCN1CCO[C@H](c2nn[n-]n2)CC1 ZINC000616665417 417089456 /nfs/dbraw/zinc/08/94/56/417089456.db2.gz HVJRMACHCPUGCN-JTQLQIEISA-N -1 1 312.374 0.488 10 0 DCAEMM O=S(=O)(c1ccccc1)N1CCOC[C@@H](c2nn[n-]n2)C1 ZINC000616661909 417091234 /nfs/dbraw/zinc/09/12/34/417091234.db2.gz BQFKFGXZOKVSFS-JTQLQIEISA-N -1 1 309.351 0.004 10 0 DCAEMM Cc1ccc(F)c(CC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC000449837990 417180162 /nfs/dbraw/zinc/18/01/62/417180162.db2.gz ZYBHJYDQPGOHDB-UHFFFAOYSA-N -1 1 312.326 0.837 10 0 DCAEMM Cc1ccc(F)c(CC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000449837990 417180169 /nfs/dbraw/zinc/18/01/69/417180169.db2.gz ZYBHJYDQPGOHDB-UHFFFAOYSA-N -1 1 312.326 0.837 10 0 DCAEMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000632843867 417280357 /nfs/dbraw/zinc/28/03/57/417280357.db2.gz YUIDBXYFYXEGRQ-GHMZBOCLSA-N -1 1 308.338 0.492 10 0 DCAEMM C[C@H](c1noc(C[N-]S(=O)(=O)c2cnn(C)c2)n1)C1CC1 ZINC000357522555 261551430 /nfs/dbraw/zinc/55/14/30/261551430.db2.gz ALEYQORGXSADNN-QMMMGPOBSA-N -1 1 311.367 0.795 10 0 DCAEMM CC[C@@H]1C[C@H](CC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)CCO1 ZINC000359493441 261750181 /nfs/dbraw/zinc/75/01/81/261750181.db2.gz BUWZCEFJDJUIFI-RKDXNWHRSA-N -1 1 316.383 0.742 10 0 DCAEMM CC[C@@H]1C[C@H](CC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)CCO1 ZINC000359493441 261750182 /nfs/dbraw/zinc/75/01/82/261750182.db2.gz BUWZCEFJDJUIFI-RKDXNWHRSA-N -1 1 316.383 0.742 10 0 DCAEMM C[C@@H](CN(C)C(=O)[C@H](C)NC(=O)c1ccccc1)c1nn[n-]n1 ZINC000548467046 288146592 /nfs/dbraw/zinc/14/65/92/288146592.db2.gz RULICTKTKMKOMK-QWRGUYRKSA-N -1 1 316.365 0.580 10 0 DCAEMM NC(=O)[C@@H]1COCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000180270329 295119955 /nfs/dbraw/zinc/11/99/55/295119955.db2.gz PUIDLZBFBDEDDZ-ZDUSSCGKSA-N -1 1 300.314 0.872 10 0 DCAEMM Cc1ccc(S(=O)(=O)N2Cc3[nH]cnc3C[C@H]2C(=O)[O-])cc1 ZINC000170307257 658116142 /nfs/dbraw/zinc/11/61/42/658116142.db2.gz ZCIYGMWUDYTAEU-ZDUSSCGKSA-N -1 1 321.358 0.918 10 0 DCAEMM CNC(=O)[C@@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)C(C)C ZINC000178925684 662027296 /nfs/dbraw/zinc/02/72/96/662027296.db2.gz GSUUUQRHGRKOOQ-ZETCQYMHSA-N -1 1 308.791 0.122 10 0 DCAEMM C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)[N-]OCc1ccccc1 ZINC000119391321 667124122 /nfs/dbraw/zinc/12/41/22/667124122.db2.gz QNKUGRZDFWHRSX-TZMCWYRMSA-N -1 1 305.378 0.820 10 0 DCAEMM NC(=O)NCCNC(=O)c1ccc(Br)cc1[O-] ZINC000096731159 685112335 /nfs/dbraw/zinc/11/23/35/685112335.db2.gz BXLUYUXBFBHXRT-UHFFFAOYSA-N -1 1 302.128 0.553 10 0 DCAEMM CS(=O)(=O)CC1(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)CC1 ZINC000696770865 976823915 /nfs/dbraw/zinc/82/39/15/976823915.db2.gz XHVKBZKAROMJAE-LLVKDONJSA-N -1 1 301.408 0.998 10 0 DCAEMM CCCn1c(N2CCN(S(C)(=O)=O)CC2)n[n-]c1=S ZINC000062085668 184205183 /nfs/dbraw/zinc/20/51/83/184205183.db2.gz GNIJPWLAWXNUDI-UHFFFAOYSA-N -1 1 305.429 0.432 10 0 DCAEMM Cc1noc([C@@H]2Cc3nc[nH]c3CN2C(=O)CCC(=O)[O-])n1 ZINC000035442248 395720954 /nfs/dbraw/zinc/72/09/54/395720954.db2.gz DRILKPXQEQVIAX-JTQLQIEISA-N -1 1 305.294 0.592 10 0 DCAEMM O=C(N[C@@H]1CCCN(c2ncc[nH]c2=O)C1)c1ncccc1[O-] ZINC000275628098 395985374 /nfs/dbraw/zinc/98/53/74/395985374.db2.gz JNXGAUMGAOXKTF-SNVBAGLBSA-N -1 1 315.333 0.682 10 0 DCAEMM CCNC(=O)C[N-]S(=O)(=O)C([C@@H]1CCCO1)C(F)(F)F ZINC000170603694 396094993 /nfs/dbraw/zinc/09/49/93/396094993.db2.gz CBUOLBVFAKSKEX-IONNQARKSA-N -1 1 318.317 0.152 10 0 DCAEMM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-]Cc1nc(-c2ccncc2)no1 ZINC000189972835 396401740 /nfs/dbraw/zinc/40/17/40/396401740.db2.gz QJHWUTAYEKFAEO-ONGXEEELSA-N -1 1 324.362 0.728 10 0 DCAEMM Cc1ccc2c([O-])c(C(=O)N3CC(CC(N)=O)C3)cnc2n1 ZINC000572575154 397072973 /nfs/dbraw/zinc/07/29/73/397072973.db2.gz XHXBYQJGSHHEMH-UHFFFAOYSA-N -1 1 300.318 0.591 10 0 DCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC(CC(N)=O)C1)c2=O ZINC000572575154 397072978 /nfs/dbraw/zinc/07/29/78/397072978.db2.gz XHXBYQJGSHHEMH-UHFFFAOYSA-N -1 1 300.318 0.591 10 0 DCAEMM Cn1[n-]c(CN2CCC(c3noc(C4CC4)n3)CC2)nc1=O ZINC000329595326 159105840 /nfs/dbraw/zinc/10/58/40/159105840.db2.gz BSXFZIMZENCQHO-UHFFFAOYSA-N -1 1 304.354 0.748 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOCC[C@H]2C)o1 ZINC000367660695 159349175 /nfs/dbraw/zinc/34/91/75/159349175.db2.gz NNNKSZRCZKTNMO-SECBINFHSA-N -1 1 302.352 0.439 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCOCC3(CC3)C2)co1 ZINC000408178069 160053735 /nfs/dbraw/zinc/05/37/35/160053735.db2.gz UXIRUCMSXNWRMX-UHFFFAOYSA-N -1 1 314.363 0.440 10 0 DCAEMM Cc1ccc2c([O-])c(C(=O)N3CCO[C@@H]([C@@H](C)O)C3)cnc2n1 ZINC000408465224 160114203 /nfs/dbraw/zinc/11/42/03/160114203.db2.gz GVBZWUSQSVJKQX-ZWNOBZJWSA-N -1 1 317.345 0.866 10 0 DCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCO[C@@H]([C@@H](C)O)C1)c2=O ZINC000408465224 160114204 /nfs/dbraw/zinc/11/42/04/160114204.db2.gz GVBZWUSQSVJKQX-ZWNOBZJWSA-N -1 1 317.345 0.866 10 0 DCAEMM Nc1nc2c(ncn2CCOC[P@](=O)([O-])O)c(Cl)n1 ZINC000026184380 415166175 /nfs/dbraw/zinc/16/61/75/415166175.db2.gz MHGJLLIMBHHWOI-UHFFFAOYSA-N -1 1 307.634 0.214 10 0 DCAEMM C[C@H](CO[C@@H]1CCOC1)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000119920821 415751008 /nfs/dbraw/zinc/75/10/08/415751008.db2.gz VLKGMDKXLNWYNC-GHMZBOCLSA-N -1 1 317.345 0.847 10 0 DCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC(CO)C1 ZINC000122205933 415827888 /nfs/dbraw/zinc/82/78/88/415827888.db2.gz ZHZFBTSJPVBJFO-UHFFFAOYSA-N -1 1 304.350 0.435 10 0 DCAEMM O=C(NC[C@]1(CCO)CCOC1)c1nc2ccccc2c(=O)[n-]1 ZINC000127789335 415892836 /nfs/dbraw/zinc/89/28/36/415892836.db2.gz RYDQEPLULNVEEB-INIZCTEOSA-N -1 1 317.345 0.442 10 0 DCAEMM Cn1cc(-c2nc(C(=O)NC3(c4nn[n-]n4)CC3)cs2)cn1 ZINC000357048083 416025401 /nfs/dbraw/zinc/02/54/01/416025401.db2.gz LWOCLHBEHMBOSM-UHFFFAOYSA-N -1 1 316.350 0.476 10 0 DCAEMM CCc1nc2ccccc2n1CC(=O)NC1(c2nn[n-]n2)CC1 ZINC000357048020 416025737 /nfs/dbraw/zinc/02/57/37/416025737.db2.gz GGVYRFXYQMHTAM-UHFFFAOYSA-N -1 1 311.349 0.917 10 0 DCAEMM CC(=O)c1cc(C(=O)NC2(c3nn[n-]n3)CC2)c(C)nc1C ZINC000357076931 416029611 /nfs/dbraw/zinc/02/96/11/416029611.db2.gz NDDJBNZSMDDNQF-UHFFFAOYSA-N -1 1 300.322 0.833 10 0 DCAEMM O=S(=O)(c1ccccc1)N1CCCOC[C@@H]1c1nn[n-]n1 ZINC000616648520 417088696 /nfs/dbraw/zinc/08/86/96/417088696.db2.gz OVGSSNMJZLUKTL-LLVKDONJSA-N -1 1 309.351 0.352 10 0 DCAEMM CCOC(=O)[C@@H]1CN(C(=O)c2cncc([O-])c2)CC12COC2 ZINC000452264968 417463049 /nfs/dbraw/zinc/46/30/49/417463049.db2.gz PIKQYRQBUXXAHJ-LBPRGKRZSA-N -1 1 306.318 0.439 10 0 DCAEMM O=C(NC[C@]1(O)CCSC1)c1nc2ccccc2c(=O)[n-]1 ZINC000177057855 341911067 /nfs/dbraw/zinc/91/10/67/341911067.db2.gz YGUKFFIYNWMZEY-CQSZACIVSA-N -1 1 305.359 0.521 10 0 DCAEMM CO[C@@H](C)c1nc(=NCCN2CCCS2(=O)=O)s[n-]1 ZINC000405365375 546230053 /nfs/dbraw/zinc/23/00/53/546230053.db2.gz UDIHMSSLWJUHOU-QMMMGPOBSA-N -1 1 306.413 0.115 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-]CC[C@H]2CC(=O)N(C)C2)c1Cl ZINC000723353168 658640113 /nfs/dbraw/zinc/64/01/13/658640113.db2.gz QWKGPRUSCKMVOK-QMMMGPOBSA-N -1 1 320.802 0.220 10 0 DCAEMM COC[C@]1(C(=O)[O-])CCCN1C(=O)c1cnccc1N(C)C ZINC000888079161 658730011 /nfs/dbraw/zinc/73/00/11/658730011.db2.gz GGKNZIAITZDXAN-HNNXBMFYSA-N -1 1 307.350 0.853 10 0 DCAEMM CN1CCOC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)nc1F ZINC000700244887 666702304 /nfs/dbraw/zinc/70/23/04/666702304.db2.gz RLIKATUBUBOVIZ-MRVPVSSYSA-N -1 1 323.777 0.483 10 0 DCAEMM CC[S@@](=O)CC[N-]S(=O)(=O)c1ccc(C(=O)OC)o1 ZINC000733899410 666824574 /nfs/dbraw/zinc/82/45/74/666824574.db2.gz IGCUDTQGZGMHIX-GOSISDBHSA-N -1 1 309.365 0.113 10 0 DCAEMM CC(C)N1CC[C@@H]([N-]S(=O)(=O)c2cccnc2F)C1=O ZINC000709094836 667443798 /nfs/dbraw/zinc/44/37/98/667443798.db2.gz WLZQNWKKJHDYIT-SECBINFHSA-N -1 1 301.343 0.508 10 0 DCAEMM C[C@@H]1C[C@@H](CNS(=O)(=O)c2cc(C(=O)[O-])no2)[C@@H](C)O1 ZINC000686352076 976108103 /nfs/dbraw/zinc/10/81/03/976108103.db2.gz OCUHQZRWJCKQQI-PRJMDXOYSA-N -1 1 304.324 0.465 10 0 DCAEMM Cc1ccccc1S(=O)(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000088715340 185262894 /nfs/dbraw/zinc/26/28/94/185262894.db2.gz GTNPJIUWUUDONE-UHFFFAOYSA-N -1 1 312.391 0.776 10 0 DCAEMM CN(CC(=O)N1CCNCC1)Cc1nc(=O)c2sccc2[n-]1 ZINC000261915952 396078787 /nfs/dbraw/zinc/07/87/87/396078787.db2.gz GXOFTYAQCNBTFP-UHFFFAOYSA-N -1 1 321.406 0.261 10 0 DCAEMM COCCNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000131036697 158298879 /nfs/dbraw/zinc/29/88/79/158298879.db2.gz JQIUBNBGFVBGNG-UHFFFAOYSA-N -1 1 324.761 0.520 10 0 DCAEMM O=C(C[C@@H]1CCCCNC1=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000408066660 160027027 /nfs/dbraw/zinc/02/70/27/160027027.db2.gz AWRYUQIBKRGCOW-QWRGUYRKSA-N -1 1 322.365 0.788 10 0 DCAEMM CN(C)C(=O)C1(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)CC1 ZINC000408066886 160027576 /nfs/dbraw/zinc/02/75/76/160027576.db2.gz FVDQROSHQDKXRM-SECBINFHSA-N -1 1 308.338 0.350 10 0 DCAEMM Cc1n[nH]c(C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)c1C ZINC000408247463 160068953 /nfs/dbraw/zinc/06/89/53/160068953.db2.gz OOJFXSWCGJXFLD-JTQLQIEISA-N -1 1 301.368 0.513 10 0 DCAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCO[C@@H](CO)C1 ZINC000408374606 160094384 /nfs/dbraw/zinc/09/43/84/160094384.db2.gz PLWDAOGCSBDJRO-SNVBAGLBSA-N -1 1 309.366 0.621 10 0 DCAEMM Cc1ccc2c([O-])c(C(=O)N3CCO[C@@H]([C@H](C)O)C3)cnc2n1 ZINC000408465218 160115051 /nfs/dbraw/zinc/11/50/51/160115051.db2.gz GVBZWUSQSVJKQX-GXFFZTMASA-N -1 1 317.345 0.866 10 0 DCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCO[C@@H]([C@H](C)O)C1)c2=O ZINC000408465218 160115053 /nfs/dbraw/zinc/11/50/53/160115053.db2.gz GVBZWUSQSVJKQX-GXFFZTMASA-N -1 1 317.345 0.866 10 0 DCAEMM CC(=O)N[C@@H](CC(=O)NC1(c2nn[n-]n2)CC1)c1cccs1 ZINC000357080218 287203464 /nfs/dbraw/zinc/20/34/64/287203464.db2.gz TYTQWAIIXUTFNZ-VIFPVBQESA-N -1 1 320.378 0.634 10 0 DCAEMM CC(C)c1nnc(CS(=O)(=O)c2n[n-]c(C3CC3)n2)n1C ZINC000183514884 416244106 /nfs/dbraw/zinc/24/41/06/416244106.db2.gz KWAYHLSYVATDTG-UHFFFAOYSA-N -1 1 310.383 0.908 10 0 DCAEMM CN(C)c1ncccc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000532793590 416455752 /nfs/dbraw/zinc/45/57/52/416455752.db2.gz GUGAEKKNXPXXCG-SNVBAGLBSA-N -1 1 301.354 0.681 10 0 DCAEMM O=C1[C@H]([N-]c2noc(-c3ccccc3)n2)CCCN1CCO ZINC000583215399 416460784 /nfs/dbraw/zinc/46/07/84/416460784.db2.gz HKJNTBHESHSMQM-GFCCVEGCSA-N -1 1 302.334 1.132 10 0 DCAEMM Cc1onc(N)c1S(=O)(=O)[N-]CC(=O)NC1CCCCC1 ZINC000439181174 416608634 /nfs/dbraw/zinc/60/86/34/416608634.db2.gz ZOIQLZCFTNWAIG-UHFFFAOYSA-N -1 1 316.383 0.292 10 0 DCAEMM CC(C)(C)OC(=O)NCCN1CCCO[C@@H](c2nn[n-]n2)C1 ZINC000616598223 417084682 /nfs/dbraw/zinc/08/46/82/417084682.db2.gz NCMNCQUIUGQMMN-SNVBAGLBSA-N -1 1 312.374 0.488 10 0 DCAEMM O=C(Cn1ncc2ccccc21)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000363517959 262118269 /nfs/dbraw/zinc/11/82/69/262118269.db2.gz PPRIXJDHRXZFML-LBPRGKRZSA-N -1 1 313.321 0.150 10 0 DCAEMM COc1cc(C)cnc1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000488975215 272055651 /nfs/dbraw/zinc/05/56/51/272055651.db2.gz DXHUNKLZBMTVGW-UHFFFAOYSA-N -1 1 311.323 0.173 10 0 DCAEMM COc1cc(C)cnc1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000488975215 272055654 /nfs/dbraw/zinc/05/56/54/272055654.db2.gz DXHUNKLZBMTVGW-UHFFFAOYSA-N -1 1 311.323 0.173 10 0 DCAEMM C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1cc(=O)[nH][n-]1 ZINC000898868904 663111276 /nfs/dbraw/zinc/11/12/76/663111276.db2.gz XZJHPPDYCHGBOU-MWLCHTKSSA-N -1 1 306.366 0.941 10 0 DCAEMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCCC2(C1)OCCO2 ZINC000151687800 664711563 /nfs/dbraw/zinc/71/15/63/664711563.db2.gz WCZQHSMTLRAHQT-UHFFFAOYSA-N -1 1 315.329 0.902 10 0 DCAEMM C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)[N-]OCc1ccccc1 ZINC000119391019 667123991 /nfs/dbraw/zinc/12/39/91/667123991.db2.gz QNKUGRZDFWHRSX-OCCSQVGLSA-N -1 1 305.378 0.820 10 0 DCAEMM Cc1cc(CS(=O)(=O)[N-][C@@H]2CCCC23OCCO3)no1 ZINC000715932747 670226328 /nfs/dbraw/zinc/22/63/28/670226328.db2.gz OYRINJDFLPBSQY-LLVKDONJSA-N -1 1 302.352 0.698 10 0 DCAEMM CC(C)(NC(=O)N[C@H]1CCCN2CCSC[C@H]12)C(=O)[O-] ZINC000720479227 685313497 /nfs/dbraw/zinc/31/34/97/685313497.db2.gz BHLPLJJVXRMIHE-VHSXEESVSA-N -1 1 301.412 0.729 10 0 DCAEMM CCCS(=O)(=O)CCN1CCCC[C@@]1(COC)C(=O)[O-] ZINC000692333609 976422786 /nfs/dbraw/zinc/42/27/86/976422786.db2.gz YCBMRLUTXJRODU-CYBMUJFWSA-N -1 1 307.412 0.767 10 0 DCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCC1(CCO)CC1 ZINC000188016557 237364867 /nfs/dbraw/zinc/36/48/67/237364867.db2.gz XKMRGDVUMLZEBY-UHFFFAOYSA-N -1 1 318.377 0.461 10 0 DCAEMM O=C([O-])[C@@H]1Cc2nc[nH]c2CN1S(=O)(=O)c1cccnc1 ZINC000092778629 304151081 /nfs/dbraw/zinc/15/10/81/304151081.db2.gz DWCNDKNEEREVBH-NSHDSACASA-N -1 1 308.319 0.005 10 0 DCAEMM C[C@@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000282709554 217193031 /nfs/dbraw/zinc/19/30/31/217193031.db2.gz YLLVWEVCNMTDNC-NKWVEPMBSA-N -1 1 306.775 0.019 10 0 DCAEMM NS(=O)(=O)c1ccc(CCn2c(=O)[n-][nH]c2=S)cc1 ZINC000061591398 184175770 /nfs/dbraw/zinc/17/57/70/184175770.db2.gz RWPJFVAOSXYFRW-UHFFFAOYSA-N -1 1 300.365 0.124 10 0 DCAEMM NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000175556087 252601668 /nfs/dbraw/zinc/60/16/68/252601668.db2.gz JRHIEFOEFPQRID-MWLCHTKSSA-N -1 1 314.345 0.697 10 0 DCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCC[C@@H](O)C1 ZINC000037732136 395728634 /nfs/dbraw/zinc/72/86/34/395728634.db2.gz NROGWSRYGPWUTD-DTWKUNHWSA-N -1 1 317.367 0.168 10 0 DCAEMM CC(C)(C)NC(=O)CS(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195174657 395819560 /nfs/dbraw/zinc/81/95/60/395819560.db2.gz IIQZEMPQBJQJLP-UHFFFAOYSA-N -1 1 302.400 0.791 10 0 DCAEMM CC[N@@H+](CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000152356526 396007531 /nfs/dbraw/zinc/00/75/31/396007531.db2.gz BIMUJADLXIIMJN-UHFFFAOYSA-N -1 1 300.366 0.967 10 0 DCAEMM CCN(CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000152356526 396007533 /nfs/dbraw/zinc/00/75/33/396007533.db2.gz BIMUJADLXIIMJN-UHFFFAOYSA-N -1 1 300.366 0.967 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCCn3ncnc32)c1Cl ZINC000176746883 396159808 /nfs/dbraw/zinc/15/98/08/396159808.db2.gz MKQXMPSFRWEYBL-ZETCQYMHSA-N -1 1 316.774 0.478 10 0 DCAEMM COC(=O)[C@@H]1CCN(C(=O)c2c(C)[n-]c(=O)nc2SC)C1 ZINC000093295090 158121346 /nfs/dbraw/zinc/12/13/46/158121346.db2.gz YGIVVWLLEBGBQX-MRVPVSSYSA-N -1 1 311.363 0.848 10 0 DCAEMM CCS(=O)(=O)C[C@@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000113367673 158145968 /nfs/dbraw/zinc/14/59/68/158145968.db2.gz NGTBEVUEVAEIOV-SECBINFHSA-N -1 1 323.374 0.476 10 0 DCAEMM COCCN(CCOC)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000122748633 158224164 /nfs/dbraw/zinc/22/41/64/158224164.db2.gz YYQCKLGZRONPCO-UHFFFAOYSA-N -1 1 305.334 0.658 10 0 DCAEMM Cc1n[nH]c(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)c1C ZINC000408023694 160015082 /nfs/dbraw/zinc/01/50/82/160015082.db2.gz UXYAWXDLOIVVPA-UHFFFAOYSA-N -1 1 309.351 0.288 10 0 DCAEMM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H](C2CC2)N2CCCC2)cn1 ZINC000123752318 415844682 /nfs/dbraw/zinc/84/46/82/415844682.db2.gz PNNGDPMTIJXXMB-GFCCVEGCSA-N -1 1 312.395 0.099 10 0 DCAEMM CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000357062126 416028444 /nfs/dbraw/zinc/02/84/44/416028444.db2.gz VWLOGXLQERGBLW-VIFPVBQESA-N -1 1 323.401 0.427 10 0 DCAEMM NC(=O)c1ccc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)o1 ZINC000177059665 416139142 /nfs/dbraw/zinc/13/91/42/416139142.db2.gz FBVLEHFCSDWQHY-UHFFFAOYSA-N -1 1 312.285 0.545 10 0 DCAEMM Cn1ncc2c1[n-]cc(C(=O)N1C[C@H]3CCC[C@@H](C1)C3O)c2=O ZINC000182035546 416214399 /nfs/dbraw/zinc/21/43/99/416214399.db2.gz UKLVMEZEKULVPY-HWYHXSKPSA-N -1 1 316.361 0.907 10 0 DCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2CCCc3cccnc32)[n-]1 ZINC000444822544 416873903 /nfs/dbraw/zinc/87/39/03/416873903.db2.gz LOYUUWDQUGGEQC-SECBINFHSA-N -1 1 321.362 0.662 10 0 DCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2CCCc3cccnc32)n1 ZINC000444822544 416873907 /nfs/dbraw/zinc/87/39/07/416873907.db2.gz LOYUUWDQUGGEQC-SECBINFHSA-N -1 1 321.362 0.662 10 0 DCAEMM C[C@H]1CCC[C@H](OCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1 ZINC000522139940 417049278 /nfs/dbraw/zinc/04/92/78/417049278.db2.gz AVSQIWNZPGZZDT-IUCAKERBSA-N -1 1 316.383 0.742 10 0 DCAEMM C[C@H]1CCC[C@H](OCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC000522139940 417049287 /nfs/dbraw/zinc/04/92/87/417049287.db2.gz AVSQIWNZPGZZDT-IUCAKERBSA-N -1 1 316.383 0.742 10 0 DCAEMM CCOC(=O)c1cc(C(=O)NC2(c3nn[n-]n3)CC2)[nH]c1C ZINC000450958251 417286245 /nfs/dbraw/zinc/28/62/45/417286245.db2.gz IVRJQUWJJPRISW-UHFFFAOYSA-N -1 1 304.310 0.432 10 0 DCAEMM COc1cccc(OCCC(=O)NC2(c3nn[n-]n3)CC2)c1 ZINC000451183093 417311127 /nfs/dbraw/zinc/31/11/27/417311127.db2.gz JJWRPHGBDIBHEN-UHFFFAOYSA-N -1 1 303.322 0.783 10 0 DCAEMM Cc1ccccc1-c1ccnc(S(N)(=O)=O)c1-c1nnn[n-]1 ZINC000584629096 337376451 /nfs/dbraw/zinc/37/64/51/337376451.db2.gz ASTSVKHRTFVDSM-UHFFFAOYSA-N -1 1 316.346 0.885 10 0 DCAEMM Cc1ccccc1-c1ccnc(S(N)(=O)=O)c1-c1nn[n-]n1 ZINC000584629096 337376452 /nfs/dbraw/zinc/37/64/52/337376452.db2.gz ASTSVKHRTFVDSM-UHFFFAOYSA-N -1 1 316.346 0.885 10 0 DCAEMM CCN(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000188456967 520199894 /nfs/dbraw/zinc/19/98/94/520199894.db2.gz PLCTWLHVVCYMSJ-MRVPVSSYSA-N -1 1 322.818 0.527 10 0 DCAEMM CCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000188456990 520214159 /nfs/dbraw/zinc/21/41/59/520214159.db2.gz PLCTWLHVVCYMSJ-QMMMGPOBSA-N -1 1 322.818 0.527 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(N)=O)C2)c1Cl ZINC000172612258 664623756 /nfs/dbraw/zinc/62/37/56/664623756.db2.gz XMDHOFCYDIBOTB-YUMQZZPRSA-N -1 1 320.802 0.396 10 0 DCAEMM C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)[N-]OCc1ccccc1 ZINC000119391485 667123890 /nfs/dbraw/zinc/12/38/90/667123890.db2.gz QNKUGRZDFWHRSX-GXTWGEPZSA-N -1 1 305.378 0.820 10 0 DCAEMM COC(=O)[C@@H](CO)[N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000209296571 668188574 /nfs/dbraw/zinc/18/85/74/668188574.db2.gz AZOHESWTZINWRJ-JMEBYUIHSA-N -1 1 319.766 0.764 10 0 DCAEMM CC[C@H](O)CN1CCN(CC(=O)[N-]OCc2ccccc2)CC1 ZINC000180517787 199169569 /nfs/dbraw/zinc/16/95/69/199169569.db2.gz 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/nfs/dbraw/zinc/58/17/46/396581746.db2.gz WQLOOXMOHFYPPH-UHFFFAOYSA-N -1 1 305.319 0.942 10 0 DCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cccc3[nH]ccc32)[n-]1 ZINC000530704271 396581749 /nfs/dbraw/zinc/58/17/49/396581749.db2.gz WQLOOXMOHFYPPH-UHFFFAOYSA-N -1 1 305.319 0.942 10 0 DCAEMM O=C(CN1CCOCC1=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000578112779 397391663 /nfs/dbraw/zinc/39/16/63/397391663.db2.gz BFBNRQCCROUEQF-UHFFFAOYSA-N -1 1 316.317 0.580 10 0 DCAEMM COC(=O)[C@H]1CCN(C(=O)c2c(C)[n-]c(=O)nc2SC)C1 ZINC000093295089 158120172 /nfs/dbraw/zinc/12/01/72/158120172.db2.gz YGIVVWLLEBGBQX-QMMMGPOBSA-N -1 1 311.363 0.848 10 0 DCAEMM Cc1ccc2c([O-])c(C(=O)N3CC(=O)N(C)[C@H](C)C3)cnc2n1 ZINC000407974343 160000947 /nfs/dbraw/zinc/00/09/47/160000947.db2.gz SXUPZHUMLQRGQI-SNVBAGLBSA-N -1 1 314.345 0.947 10 0 DCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC(=O)N(C)[C@H](C)C1)c2=O ZINC000407974343 160000950 /nfs/dbraw/zinc/00/09/50/160000950.db2.gz SXUPZHUMLQRGQI-SNVBAGLBSA-N -1 1 314.345 0.947 10 0 DCAEMM C[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)C(=O)NC(C)(C)C ZINC000067541918 415377882 /nfs/dbraw/zinc/37/78/82/415377882.db2.gz HADUYPYZCCQHBZ-VIFPVBQESA-N -1 1 316.361 0.956 10 0 DCAEMM Cn1ncc2c1[n-]cc(C(=O)N[C@@H]1CCc3n[nH]cc3C1)c2=O ZINC000119252383 415741861 /nfs/dbraw/zinc/74/18/61/415741861.db2.gz LDGONTZEYHPRCZ-SECBINFHSA-N -1 1 312.333 0.684 10 0 DCAEMM Cc1onc(-c2ccncc2)c1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000357041438 416025105 /nfs/dbraw/zinc/02/51/05/416025105.db2.gz FGRHVFFLEILYOC-UHFFFAOYSA-N -1 1 311.305 0.977 10 0 DCAEMM NS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2cccc(O)c2)c1 ZINC000357494709 416089360 /nfs/dbraw/zinc/08/93/60/416089360.db2.gz WHGJASOMPXDWKW-UHFFFAOYSA-N -1 1 322.342 0.926 10 0 DCAEMM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)[C@@H](C1CC1)N1CCCC1 ZINC000408483873 417163933 /nfs/dbraw/zinc/16/39/33/417163933.db2.gz MUIIKRKWCHRKTG-CHWSQXEVSA-N -1 1 316.423 0.486 10 0 DCAEMM CC(C)Nc1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cn1 ZINC000438939120 287376692 /nfs/dbraw/zinc/37/66/92/287376692.db2.gz XHVMFDFMYXNFPF-UHFFFAOYSA-N -1 1 324.366 0.676 10 0 DCAEMM CC(C)Nc1ccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cn1 ZINC000438939120 287376694 /nfs/dbraw/zinc/37/66/94/287376694.db2.gz XHVMFDFMYXNFPF-UHFFFAOYSA-N -1 1 324.366 0.676 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2noc(C)n2)o1 ZINC000539751525 287893970 /nfs/dbraw/zinc/89/39/70/287893970.db2.gz VIRGBFPRPTUANZ-UHFFFAOYSA-N -1 1 314.323 0.151 10 0 DCAEMM Cn1[n-]c(CN2CCO[C@H](COc3ccccc3)C2)nc1=O ZINC000555448871 288351303 /nfs/dbraw/zinc/35/13/03/288351303.db2.gz XJKRHWUUQOELNJ-ZDUSSCGKSA-N -1 1 304.350 0.388 10 0 DCAEMM Cc1ccc(-c2ccnc(S(N)(=O)=O)c2-c2nnn[n-]2)cc1 ZINC000584629503 337376569 /nfs/dbraw/zinc/37/65/69/337376569.db2.gz WMPLABRDXMPSBL-UHFFFAOYSA-N -1 1 316.346 0.885 10 0 DCAEMM Cc1ccc(-c2ccnc(S(N)(=O)=O)c2-c2nn[n-]n2)cc1 ZINC000584629503 337376570 /nfs/dbraw/zinc/37/65/70/337376570.db2.gz WMPLABRDXMPSBL-UHFFFAOYSA-N -1 1 316.346 0.885 10 0 DCAEMM O=C([N-]S(=O)(=O)Cc1ccon1)c1[nH]nc2c1CCCC2 ZINC000177698289 658791121 /nfs/dbraw/zinc/79/11/21/658791121.db2.gz YOFXVEKLHGUIHZ-UHFFFAOYSA-N -1 1 310.335 0.536 10 0 DCAEMM O=C(c1ccc(Br)cc1[O-])N1CCOC[C@H]1CO ZINC000168203980 659323802 /nfs/dbraw/zinc/32/38/02/659323802.db2.gz GPGZUUCMXCFXAL-SECBINFHSA-N -1 1 316.151 0.988 10 0 DCAEMM C[C@@H](O)[C@H](O)CNC(=O)c1ccc(Br)cc1[O-] ZINC000717388851 667749748 /nfs/dbraw/zinc/74/97/48/667749748.db2.gz YHAKDNUVDVJKQJ-LHLIQPBNSA-N -1 1 304.140 0.626 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-]Cc2cc(C(N)=O)co2)c1Cl ZINC000188253468 669993999 /nfs/dbraw/zinc/99/39/99/669993999.db2.gz LHAPLFNSDLIROP-UHFFFAOYSA-N -1 1 318.742 0.244 10 0 DCAEMM C[C@@H](C(=O)[O-])N(C)C(=O)N[C@@H]1CCCN2CCSC[C@@H]12 ZINC000720482214 685313469 /nfs/dbraw/zinc/31/34/69/685313469.db2.gz KAOVKXMMABNUDW-AXFHLTTASA-N -1 1 301.412 0.681 10 0 DCAEMM C[C@H](CNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)N(C)C ZINC000037985792 182955232 /nfs/dbraw/zinc/95/52/32/182955232.db2.gz QPJFBOCTMYJPBI-MRVPVSSYSA-N -1 1 302.352 0.319 10 0 DCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)C[C@@H]1CCCO1 ZINC000104885564 194049944 /nfs/dbraw/zinc/04/99/44/194049944.db2.gz OSNJFOVSJDNHBG-LBPRGKRZSA-N -1 1 318.377 0.819 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@@H]23)c1Cl ZINC000249992255 396013867 /nfs/dbraw/zinc/01/38/67/396013867.db2.gz ZZOGXGKMVZRISH-DJLDLDEBSA-N -1 1 305.787 0.919 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H](CO)CC(C)C)o1 ZINC000184577724 396299446 /nfs/dbraw/zinc/29/94/46/396299446.db2.gz AVPNBRQBBFJOGI-SNVBAGLBSA-N -1 1 318.395 0.667 10 0 DCAEMM COC(=O)[C@H]1C[C@H]1C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000114411434 158153523 /nfs/dbraw/zinc/15/35/23/158153523.db2.gz WDGKNIUXICDLME-ZJUUUORDSA-N -1 1 318.333 0.065 10 0 DCAEMM Cc1n[nH]c(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)c1C ZINC000408444777 160109638 /nfs/dbraw/zinc/10/96/38/160109638.db2.gz WBWBZDOMFZUICH-SNVBAGLBSA-N -1 1 301.368 0.655 10 0 DCAEMM O=C([N-]S(=O)(=O)CC1CCC1)c1cn[nH]c1[C@@H]1CCOC1 ZINC000408485034 160118576 /nfs/dbraw/zinc/11/85/76/160118576.db2.gz GLORTBPITMJYSJ-SNVBAGLBSA-N -1 1 313.379 0.773 10 0 DCAEMM CCN1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)C1 ZINC000107699813 415672937 /nfs/dbraw/zinc/67/29/37/415672937.db2.gz NQYVOAGTNHGVBT-SNVBAGLBSA-N -1 1 316.379 0.829 10 0 DCAEMM Cc1oc(-c2cnn(C)c2)nc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000357070580 416030371 /nfs/dbraw/zinc/03/03/71/416030371.db2.gz DJHDAEUMGFITLI-UHFFFAOYSA-N -1 1 314.309 0.316 10 0 DCAEMM O=C(NN1CC(=O)[N-]C1=O)c1ccc(N2CCCCC2)cc1 ZINC000175278452 416101058 /nfs/dbraw/zinc/10/10/58/416101058.db2.gz KSDRMFAAEWXYBO-UHFFFAOYSA-N -1 1 302.334 0.874 10 0 DCAEMM CC[C@H]1C[C@@H](CC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)CCO1 ZINC000359493438 416348139 /nfs/dbraw/zinc/34/81/39/416348139.db2.gz BUWZCEFJDJUIFI-IUCAKERBSA-N -1 1 316.383 0.742 10 0 DCAEMM CC[C@H]1C[C@@H](CC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)CCO1 ZINC000359493438 416348141 /nfs/dbraw/zinc/34/81/41/416348141.db2.gz BUWZCEFJDJUIFI-IUCAKERBSA-N -1 1 316.383 0.742 10 0 DCAEMM CCc1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c(O)c1 ZINC000436853908 416570931 /nfs/dbraw/zinc/57/09/31/416570931.db2.gz DKSKGPIGADDUIK-UHFFFAOYSA-N -1 1 310.335 0.729 10 0 DCAEMM CCc1ccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c(O)c1 ZINC000436853908 416570934 /nfs/dbraw/zinc/57/09/34/416570934.db2.gz DKSKGPIGADDUIK-UHFFFAOYSA-N -1 1 310.335 0.729 10 0 DCAEMM O=C(Cn1cc2ccccc2n1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000539326133 416577501 /nfs/dbraw/zinc/57/75/01/416577501.db2.gz KKPUESJJACZQQS-LBPRGKRZSA-N -1 1 311.349 0.956 10 0 DCAEMM C[C@@H](CN(C)C(=O)C(=O)c1cnn(C(C)(C)C)c1)c1nn[n-]n1 ZINC000358384261 271050769 /nfs/dbraw/zinc/05/07/69/271050769.db2.gz LATOXTCQHMOJCC-VIFPVBQESA-N -1 1 319.369 0.596 10 0 DCAEMM O=C([O-])CN1CCCN(S(=O)(=O)CCC2CCC2)CC1 ZINC000380115439 332319263 /nfs/dbraw/zinc/31/92/63/332319263.db2.gz JPWNQIMUJUBFBS-UHFFFAOYSA-N -1 1 304.412 0.599 10 0 DCAEMM NS(=O)(=O)c1cccc(-c2ccccc2O)c1-c1nn[n-]n1 ZINC000584611569 337372187 /nfs/dbraw/zinc/37/21/87/337372187.db2.gz GKXTZZLTSMMLCA-UHFFFAOYSA-N -1 1 317.330 0.887 10 0 DCAEMM CC(=O)Nc1cccc(C(=O)NC2(c3nn[n-]n3)CC2)c1C ZINC000357083967 527033956 /nfs/dbraw/zinc/03/39/56/527033956.db2.gz ZXDYFPLJTTUTOY-UHFFFAOYSA-N -1 1 300.322 0.886 10 0 DCAEMM COC(=O)c1cc(C)cc(C(=O)NC2(c3nn[n-]n3)CC2)c1 ZINC000457735142 536880641 /nfs/dbraw/zinc/88/06/41/536880641.db2.gz OBVKOIALTHITPA-UHFFFAOYSA-N -1 1 301.306 0.714 10 0 DCAEMM Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1C[N@H+](CC(=O)[O-])C2 ZINC000091587465 545717693 /nfs/dbraw/zinc/71/76/93/545717693.db2.gz KVWZOSQWAWYJFK-NWDGAFQWSA-N -1 1 307.350 0.799 10 0 DCAEMM CN1C[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)nc2F)CC1=O ZINC000723352896 658639840 /nfs/dbraw/zinc/63/98/40/658639840.db2.gz QCVFZSQHRBGESN-SSDOTTSWSA-N -1 1 321.761 0.631 10 0 DCAEMM COc1ccc2c(c1)[n-]cc(C(=O)N1CCCNC(=O)C1)c2=O ZINC000726800838 661674382 /nfs/dbraw/zinc/67/43/82/661674382.db2.gz RJZDFUWMACFDAW-UHFFFAOYSA-N -1 1 315.329 0.499 10 0 DCAEMM CC1(CCNC(=O)c2nc3ccccc3c(=O)[n-]2)OCCO1 ZINC000185367268 666415975 /nfs/dbraw/zinc/41/59/75/666415975.db2.gz VZGWWNBOIDBUJW-UHFFFAOYSA-N -1 1 303.318 0.806 10 0 DCAEMM C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)[N-]OCc1ccccc1 ZINC000119391154 667123885 /nfs/dbraw/zinc/12/38/85/667123885.db2.gz QNKUGRZDFWHRSX-JSGCOSHPSA-N -1 1 305.378 0.820 10 0 DCAEMM Cc1nc(C[N-]S(=O)(=O)c2cc(Cl)cnc2N)no1 ZINC000154751819 291215714 /nfs/dbraw/zinc/21/57/14/291215714.db2.gz WOCVCRGZWKDUNH-UHFFFAOYSA-N -1 1 303.731 0.487 10 0 DCAEMM O=C([O-])[C@@H]1Cc2nc[nH]c2CN1S(=O)(=O)c1cccs1 ZINC000092778584 304151116 /nfs/dbraw/zinc/15/11/16/304151116.db2.gz CCYTVYDEXQMGBI-VIFPVBQESA-N -1 1 313.360 0.671 10 0 DCAEMM CS(=O)(=O)CCS(=O)(=O)[N-]c1cc(N)c(F)cc1F ZINC000063142075 184273295 /nfs/dbraw/zinc/27/32/95/184273295.db2.gz VOAAEHZMICITQQ-UHFFFAOYSA-N -1 1 314.335 0.333 10 0 DCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@H]1CCCOC1 ZINC000038044644 395731228 /nfs/dbraw/zinc/73/12/28/395731228.db2.gz JDHONOTZIBTGLQ-VIFPVBQESA-N -1 1 317.367 0.291 10 0 DCAEMM O=C(c1c([O-])cnc2ccccc21)N1CCN2C(=O)NC[C@@H]2C1 ZINC000136995323 395949314 /nfs/dbraw/zinc/94/93/14/395949314.db2.gz IWNLBKXFARIZOQ-SNVBAGLBSA-N -1 1 312.329 0.790 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCCc2ccccn2)o1 ZINC000178607342 396201235 /nfs/dbraw/zinc/20/12/35/396201235.db2.gz AMMSZDYHUZWODW-UHFFFAOYSA-N -1 1 323.374 0.945 10 0 DCAEMM COc1ccc(CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)nc1 ZINC000571948894 397004431 /nfs/dbraw/zinc/00/44/31/397004431.db2.gz AJUJXLJPMZUIGV-JTQLQIEISA-N -1 1 302.338 0.552 10 0 DCAEMM Cc1cnc(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)c([O-])c1 ZINC000618677709 397011722 /nfs/dbraw/zinc/01/17/22/397011722.db2.gz VTQBUBVJKQKSGF-SNVBAGLBSA-N -1 1 313.379 0.202 10 0 DCAEMM C[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)C(=O)NC(C)(C)C ZINC000067541920 415380310 /nfs/dbraw/zinc/38/03/10/415380310.db2.gz HADUYPYZCCQHBZ-SECBINFHSA-N -1 1 316.361 0.956 10 0 DCAEMM O=C(Nc1nnn[n-]1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000102894795 415602857 /nfs/dbraw/zinc/60/28/57/415602857.db2.gz DNEYNXHPOSBXDY-LLVKDONJSA-N -1 1 300.322 0.229 10 0 DCAEMM O=C(Nc1nn[n-]n1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000102894795 415602861 /nfs/dbraw/zinc/60/28/61/415602861.db2.gz DNEYNXHPOSBXDY-LLVKDONJSA-N -1 1 300.322 0.229 10 0 DCAEMM COC(=O)c1coc(S(=O)(=O)[N-]CCn2cc(C)cn2)c1 ZINC000153248075 415977962 /nfs/dbraw/zinc/97/79/62/415977962.db2.gz YOEFCCVRDCWHSB-UHFFFAOYSA-N -1 1 313.335 0.550 10 0 DCAEMM C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000357042104 416025447 /nfs/dbraw/zinc/02/54/47/416025447.db2.gz GBOSJPAGPUKAPD-GZMMTYOYSA-N -1 1 301.306 0.534 10 0 DCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccnn2C)o1 ZINC000177339828 416144938 /nfs/dbraw/zinc/14/49/38/416144938.db2.gz KEJZYEVXETZIMF-UHFFFAOYSA-N -1 1 313.335 0.668 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2noc(C)n2)co1 ZINC000358529481 416252196 /nfs/dbraw/zinc/25/21/96/416252196.db2.gz KGCPGIRCVPRQNI-UHFFFAOYSA-N -1 1 314.323 0.151 10 0 DCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)Cc2cc(F)ccc2F)n1 ZINC000439149386 416608022 /nfs/dbraw/zinc/60/80/22/416608022.db2.gz ZLZAHEXPVOXYHA-UHFFFAOYSA-N -1 1 316.289 0.668 10 0 DCAEMM CS(=O)(=O)c1nnc(NC(=O)Cc2cc(F)ccc2F)[n-]1 ZINC000439149386 416608023 /nfs/dbraw/zinc/60/80/23/416608023.db2.gz ZLZAHEXPVOXYHA-UHFFFAOYSA-N -1 1 316.289 0.668 10 0 DCAEMM CCOC(=O)c1[nH]c(C)c(C(=O)NC2(c3nn[n-]n3)CC2)c1C ZINC000570463518 417357611 /nfs/dbraw/zinc/35/76/11/417357611.db2.gz VWHNSRXHEABIQO-UHFFFAOYSA-N -1 1 318.337 0.740 10 0 DCAEMM C[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)C[C@H](CO)O1 ZINC000190832005 261135221 /nfs/dbraw/zinc/13/52/21/261135221.db2.gz CGJUKACXOBJTIB-VHSXEESVSA-N -1 1 303.318 0.145 10 0 DCAEMM CCc1ncc(S(=O)(=O)[N-]C[C@H](O)C(F)(F)F)s1 ZINC000359230289 271108324 /nfs/dbraw/zinc/10/83/24/271108324.db2.gz MZKLTDOPDVAXFH-YFKPBYRVSA-N -1 1 304.315 0.907 10 0 DCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1CCOC[C@@H]1C ZINC000192573492 341875881 /nfs/dbraw/zinc/87/58/81/341875881.db2.gz PDDHDMRMNSKQGN-JOYOIKCWSA-N -1 1 318.377 0.928 10 0 DCAEMM C[C@@H](CC[N-]S(=O)(=O)c1ncn(C)c1Cl)[S@@](C)=O ZINC000123973415 667871389 /nfs/dbraw/zinc/87/13/89/667871389.db2.gz JIWLGQCVNZNDDH-SKLCBMLGSA-N -1 1 313.832 0.509 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)[C@H](O)C2)o1 ZINC000089427142 395711773 /nfs/dbraw/zinc/71/17/73/395711773.db2.gz PVHRIYJOYLVARD-DTWKUNHWSA-N -1 1 302.352 0.031 10 0 DCAEMM CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1nnn[n-]1 ZINC000135467210 395940610 /nfs/dbraw/zinc/94/06/10/395940610.db2.gz ZBTSOSWOIOTNJA-ONGXEEELSA-N -1 1 302.338 0.983 10 0 DCAEMM CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1nn[n-]n1 ZINC000135467210 395940611 /nfs/dbraw/zinc/94/06/11/395940611.db2.gz ZBTSOSWOIOTNJA-ONGXEEELSA-N -1 1 302.338 0.983 10 0 DCAEMM O=C(N[C@H]1CCc2n[nH]cc2C1)c1nc2ccccc2c(=O)[n-]1 ZINC000151401719 395985109 /nfs/dbraw/zinc/98/51/09/395985109.db2.gz ZZRWZONUAFLJNC-JTQLQIEISA-N -1 1 309.329 0.934 10 0 DCAEMM CS[C@H](CO)[C@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000153088153 396020775 /nfs/dbraw/zinc/02/07/75/396020775.db2.gz LNWBDBBPQNIWIQ-GZMMTYOYSA-N -1 1 307.375 0.765 10 0 DCAEMM O=C(CNC(=O)c1ccccn1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000172522679 158394992 /nfs/dbraw/zinc/39/49/92/158394992.db2.gz FHMSQUGACOWVJX-UHFFFAOYSA-N -1 1 314.227 0.587 10 0 DCAEMM Cc1ccc2c([O-])c(C(=O)N3C[C@H](C)O[C@H](CO)C3)cnc2n1 ZINC000408283575 160076135 /nfs/dbraw/zinc/07/61/35/160076135.db2.gz MBEWZCYQSVYRFS-QWRGUYRKSA-N -1 1 317.345 0.866 10 0 DCAEMM Cc1ccc2c(=O)c(C(=O)N3C[C@H](C)O[C@H](CO)C3)c[n-]c2n1 ZINC000408283575 160076137 /nfs/dbraw/zinc/07/61/37/160076137.db2.gz MBEWZCYQSVYRFS-QWRGUYRKSA-N -1 1 317.345 0.866 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)c1ccc(Cn2ccnc2)cc1 ZINC000357065566 416028081 /nfs/dbraw/zinc/02/80/81/416028081.db2.gz FUMUQMWXMNAEMW-UHFFFAOYSA-N -1 1 309.333 0.864 10 0 DCAEMM CCCc1ncc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)s1 ZINC000439149878 416607980 /nfs/dbraw/zinc/60/79/80/416607980.db2.gz DXBZYRPZSCGHNU-UHFFFAOYSA-N -1 1 315.380 0.870 10 0 DCAEMM CCCc1ncc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)s1 ZINC000439149878 416607983 /nfs/dbraw/zinc/60/79/83/416607983.db2.gz DXBZYRPZSCGHNU-UHFFFAOYSA-N -1 1 315.380 0.870 10 0 DCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cc(F)ccc2O)[n-]1 ZINC000436925791 416575262 /nfs/dbraw/zinc/57/52/62/416575262.db2.gz JRVCXUGKQIUUMZ-UHFFFAOYSA-N -1 1 300.271 0.305 10 0 DCAEMM CNC(=O)[C@@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)C(C)C ZINC000178930679 662029191 /nfs/dbraw/zinc/02/91/91/662029191.db2.gz AFXNVLWBYJTRKY-QMMMGPOBSA-N -1 1 322.818 0.431 10 0 DCAEMM CC(C)(CNS(C)(=O)=O)NC(=O)c1cc(F)ccc1[O-] ZINC000708275273 667442447 /nfs/dbraw/zinc/44/24/47/667442447.db2.gz QABNHQMMPCLZFZ-UHFFFAOYSA-N -1 1 304.343 0.589 10 0 DCAEMM O=S(=O)([N-]CC[C@@H](O)C(F)(F)F)c1cccnc1F ZINC000716713496 670270834 /nfs/dbraw/zinc/27/08/34/670270834.db2.gz PWSQYOGKOTWPCZ-SSDOTTSWSA-N -1 1 302.249 0.812 10 0 DCAEMM CCN(CC(=O)[O-])C(=O)N[C@@H]1CCCN2CCSC[C@@H]12 ZINC000720480573 685313013 /nfs/dbraw/zinc/31/30/13/685313013.db2.gz DOEIWFHNSTVWDS-MNOVXSKESA-N -1 1 301.412 0.682 10 0 DCAEMM Cc1noc(C)c1S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F ZINC000349961036 254306401 /nfs/dbraw/zinc/30/64/01/254306401.db2.gz BATRPGFKOUUUHS-SSDOTTSWSA-N -1 1 302.274 0.883 10 0 DCAEMM Nc1n[n-]c(S(=O)(=O)CCOc2ccc(Cl)cc2)n1 ZINC000008015977 395683873 /nfs/dbraw/zinc/68/38/73/395683873.db2.gz ZMGOXSMYQKDMOU-UHFFFAOYSA-N -1 1 302.743 0.893 10 0 DCAEMM Nc1nc(S(=O)(=O)CCOc2ccc(Cl)cc2)n[n-]1 ZINC000008015977 395683874 /nfs/dbraw/zinc/68/38/74/395683874.db2.gz ZMGOXSMYQKDMOU-UHFFFAOYSA-N -1 1 302.743 0.893 10 0 DCAEMM CN(C)C(=O)CCCNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000193569016 395772162 /nfs/dbraw/zinc/77/21/62/395772162.db2.gz OPVUMRHHIHBCNW-UHFFFAOYSA-N -1 1 302.334 0.521 10 0 DCAEMM COC(=O)CCS(=O)(=O)Nc1cc(C(=O)[O-])ccc1OC ZINC000111309653 395806936 /nfs/dbraw/zinc/80/69/36/395806936.db2.gz SMWINEYSVKAUEF-UHFFFAOYSA-N -1 1 317.319 0.698 10 0 DCAEMM CN(C)C(=O)[C@H]1CCCN1CC(=O)[N-]OCc1ccccc1 ZINC000119324203 395869553 /nfs/dbraw/zinc/86/95/53/395869553.db2.gz JBMWCARNPXOCBY-CQSZACIVSA-N -1 1 305.378 0.787 10 0 DCAEMM CCC[C@@](C)([N-]S(=O)(=O)C(COC)COC)C(=O)OC ZINC000603273141 397591763 /nfs/dbraw/zinc/59/17/63/397591763.db2.gz NBQILNQIKOIXOF-GFCCVEGCSA-N -1 1 311.400 0.299 10 0 DCAEMM Cc1ccc(S(=O)(=O)N2Cc3[nH]cnc3C[C@@H]2C(=O)[O-])cc1 ZINC000170307255 158374730 /nfs/dbraw/zinc/37/47/30/158374730.db2.gz ZCIYGMWUDYTAEU-CYBMUJFWSA-N -1 1 321.358 0.918 10 0 DCAEMM COCC[C@@](C)(O)CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000172117207 158390324 /nfs/dbraw/zinc/39/03/24/158390324.db2.gz QOEHPOIAUGDIOQ-OAHLLOKOSA-N -1 1 305.334 0.440 10 0 DCAEMM C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(Cc1nc(=O)n(C)[n-]1)C2=O ZINC000329787421 159120401 /nfs/dbraw/zinc/12/04/01/159120401.db2.gz RDPXSNBJEQAORE-IUCAKERBSA-N -1 1 307.354 0.560 10 0 DCAEMM Cc1ccc2c([O-])c(C(=O)N3C[C@H](CO)O[C@@H](C)C3)cnc2n1 ZINC000408283576 160075826 /nfs/dbraw/zinc/07/58/26/160075826.db2.gz MBEWZCYQSVYRFS-WDEREUQCSA-N -1 1 317.345 0.866 10 0 DCAEMM Cc1ccc2c(=O)c(C(=O)N3C[C@H](CO)O[C@@H](C)C3)c[n-]c2n1 ZINC000408283576 160075828 /nfs/dbraw/zinc/07/58/28/160075828.db2.gz MBEWZCYQSVYRFS-WDEREUQCSA-N -1 1 317.345 0.866 10 0 DCAEMM CC1CCN(C(=O)C(=O)NC2(c3nn[n-]n3)CCCC2)CC1 ZINC000408438420 160107758 /nfs/dbraw/zinc/10/77/58/160107758.db2.gz HYWUKECIOSLESY-UHFFFAOYSA-N -1 1 306.370 0.344 10 0 DCAEMM C[C@@H](NC(=O)[C@@H](C)S(=O)(=O)c1ncn[n-]1)c1ccccc1 ZINC000086169718 415510351 /nfs/dbraw/zinc/51/03/51/415510351.db2.gz ASKNRISATUIFGK-NXEZZACHSA-N -1 1 308.363 0.844 10 0 DCAEMM C[C@@H](NC(=O)[C@@H](C)S(=O)(=O)c1nc[n-]n1)c1ccccc1 ZINC000086169718 415510358 /nfs/dbraw/zinc/51/03/58/415510358.db2.gz ASKNRISATUIFGK-NXEZZACHSA-N -1 1 308.363 0.844 10 0 DCAEMM C[C@@H](CN1CCOCC1)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000107324031 415663707 /nfs/dbraw/zinc/66/37/07/415663707.db2.gz KHFAOWDOEKFGSU-NSHDSACASA-N -1 1 316.361 0.374 10 0 DCAEMM COC(=O)c1[nH]c(C)c(C(=O)NC2(c3nn[n-]n3)CC2)c1C ZINC000357041309 416025656 /nfs/dbraw/zinc/02/56/56/416025656.db2.gz DTAMETGAIKGBQK-UHFFFAOYSA-N -1 1 304.310 0.350 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)c1cccc(Nc2cnccn2)c1 ZINC000357041484 416025723 /nfs/dbraw/zinc/02/57/23/416025723.db2.gz FPGZNNYHBZNPQL-UHFFFAOYSA-N -1 1 322.332 1.152 10 0 DCAEMM O=C(CSCC(=O)N1CCCCC1)NC1(c2nn[n-]n2)CC1 ZINC000357049169 416027487 /nfs/dbraw/zinc/02/74/87/416027487.db2.gz HGOUQFPSNISNKI-UHFFFAOYSA-N -1 1 324.410 0.051 10 0 DCAEMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(O)c2)c1 ZINC000357490081 416088232 /nfs/dbraw/zinc/08/82/32/416088232.db2.gz QSRHVKOHCLEVSI-UHFFFAOYSA-N -1 1 308.315 0.998 10 0 DCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)Cc2ccc3n[nH]cc3c2)n1 ZINC000359374695 416344086 /nfs/dbraw/zinc/34/40/86/416344086.db2.gz XJJUMSPQAYGUDQ-UHFFFAOYSA-N -1 1 320.334 0.266 10 0 DCAEMM CS(=O)(=O)c1nnc(NC(=O)Cc2ccc3n[nH]cc3c2)[n-]1 ZINC000359374695 416344088 /nfs/dbraw/zinc/34/40/88/416344088.db2.gz XJJUMSPQAYGUDQ-UHFFFAOYSA-N -1 1 320.334 0.266 10 0 DCAEMM CC[C@@H]1C[C@@H](CC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)CCO1 ZINC000359493434 416348081 /nfs/dbraw/zinc/34/80/81/416348081.db2.gz BUWZCEFJDJUIFI-DTWKUNHWSA-N -1 1 316.383 0.742 10 0 DCAEMM CC[C@@H]1C[C@@H](CC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)CCO1 ZINC000359493434 416348082 /nfs/dbraw/zinc/34/80/82/416348082.db2.gz BUWZCEFJDJUIFI-DTWKUNHWSA-N -1 1 316.383 0.742 10 0 DCAEMM Cc1[nH]nc2ncc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)cc12 ZINC000557481493 416735287 /nfs/dbraw/zinc/73/52/87/416735287.db2.gz NCHXFVAEGVVCAF-SECBINFHSA-N -1 1 312.337 0.799 10 0 DCAEMM Cc1csc(CCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)n1 ZINC000444822421 416871815 /nfs/dbraw/zinc/87/18/15/416871815.db2.gz JXOHONMMFBLTKP-UHFFFAOYSA-N -1 1 315.380 0.544 10 0 DCAEMM Cc1csc(CCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)n1 ZINC000444822421 416871820 /nfs/dbraw/zinc/87/18/20/416871820.db2.gz JXOHONMMFBLTKP-UHFFFAOYSA-N -1 1 315.380 0.544 10 0 DCAEMM COc1cc2c(cc1OC)CN(CC(=O)Nc1nnn[n-]1)CC2 ZINC000439008876 287380485 /nfs/dbraw/zinc/38/04/85/287380485.db2.gz KKXZBWMRTNEDPV-UHFFFAOYSA-N -1 1 318.337 0.214 10 0 DCAEMM COc1cc2c(cc1OC)CN(CC(=O)Nc1nn[n-]n1)CC2 ZINC000439008876 287380489 /nfs/dbraw/zinc/38/04/89/287380489.db2.gz KKXZBWMRTNEDPV-UHFFFAOYSA-N -1 1 318.337 0.214 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCOCC[C@@H]2C)co1 ZINC000362241589 262014306 /nfs/dbraw/zinc/01/43/06/262014306.db2.gz WSQQPZHJTRPOIC-VIFPVBQESA-N -1 1 302.352 0.439 10 0 DCAEMM Cc1ccc(-c2cccc(S(N)(=O)=O)c2-c2nnn[n-]2)nc1 ZINC000584597092 337374380 /nfs/dbraw/zinc/37/43/80/337374380.db2.gz ZCMCGXBQFPDRRS-UHFFFAOYSA-N -1 1 316.346 0.885 10 0 DCAEMM Cc1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[n-]n2)nc1 ZINC000584597092 337374381 /nfs/dbraw/zinc/37/43/81/337374381.db2.gz ZCMCGXBQFPDRRS-UHFFFAOYSA-N -1 1 316.346 0.885 10 0 DCAEMM Cn1c(CSc2nc(C3CC3)cc(=O)[n-]2)cc(=O)n(C)c1=O ZINC000188147382 527029284 /nfs/dbraw/zinc/02/92/84/527029284.db2.gz CZKKDICDTFDIQJ-UHFFFAOYSA-N -1 1 320.374 0.749 10 0 DCAEMM C[C@H](O)[C@@H](O)CNC(=O)c1cc(Br)ccc1[O-] ZINC000717385403 667743947 /nfs/dbraw/zinc/74/39/47/667743947.db2.gz MNUQCVXRPSNKHU-WKEGUHRASA-N -1 1 304.140 0.626 10 0 DCAEMM COC[C@@H]1C[C@@H](OC)CN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000908095160 663732956 /nfs/dbraw/zinc/73/29/56/663732956.db2.gz WOZWXGWTCBEULU-WDEREUQCSA-N -1 1 307.350 0.936 10 0 DCAEMM C[C@H]1NC(=O)CC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1F ZINC000703178617 667065040 /nfs/dbraw/zinc/06/50/40/667065040.db2.gz KLUMZTSDPLAFSN-RQJHMYQMSA-N -1 1 321.761 0.820 10 0 DCAEMM CC(C)(CNS(C)(=O)=O)NC(=O)c1c([O-])cccc1F ZINC000708273425 667442406 /nfs/dbraw/zinc/44/24/06/667442406.db2.gz DYHMRUSQTOIRKZ-UHFFFAOYSA-N -1 1 304.343 0.589 10 0 DCAEMM CC(C)n1ncnc1CN1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC000886071894 667728340 /nfs/dbraw/zinc/72/83/40/667728340.db2.gz OWTMOECFEZJFJE-HNNXBMFYSA-N -1 1 323.397 0.220 10 0 DCAEMM CN(C)Cc1cc(O[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)ccn1 ZINC000886096377 667731840 /nfs/dbraw/zinc/73/18/40/667731840.db2.gz CXWHEBGGTMKXGD-CYBMUJFWSA-N -1 1 318.381 0.620 10 0 DCAEMM O=C(NCc1nn[n-]n1)c1cnc(Cl)c(Br)c1 ZINC000310448813 1190390054 /nfs/dbraw/zinc/39/00/54/1190390054.db2.gz ZLFZCUWILUWXRE-UHFFFAOYSA-N -1 1 317.534 0.941 10 0 DCAEMM CC[C@]1(C(=O)[O-])CCCN([C@H]2CS(=O)(=O)C[C@H]2OC)C1 ZINC000696837018 954822507 /nfs/dbraw/zinc/82/25/07/954822507.db2.gz AOJJLHWMOUVDHW-LOWVWBTDSA-N -1 1 305.396 0.375 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(=O)[C@H](C)C2)o1 ZINC000275231843 212212821 /nfs/dbraw/zinc/21/28/21/212212821.db2.gz JNSRXMUXPNJZFM-MRVPVSSYSA-N -1 1 300.336 0.239 10 0 DCAEMM C[C@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000282709558 217193549 /nfs/dbraw/zinc/19/35/49/217193549.db2.gz YLLVWEVCNMTDNC-RNFRBKRXSA-N -1 1 306.775 0.019 10 0 DCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CSC1(C)C ZINC000282807121 217263874 /nfs/dbraw/zinc/26/38/74/217263874.db2.gz ZTNYEMVJQNWIDV-QMMMGPOBSA-N -1 1 319.408 0.759 10 0 DCAEMM COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)[N-]Cc1nc(C)no1 ZINC000234621907 395890283 /nfs/dbraw/zinc/89/02/83/395890283.db2.gz NJRTVDHMVMESOK-DTWKUNHWSA-N -1 1 303.340 0.139 10 0 DCAEMM CC(C)(C)CCS(=O)(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000230108380 395878697 /nfs/dbraw/zinc/87/86/97/395878697.db2.gz VEVVNQAOVIKBRU-UHFFFAOYSA-N -1 1 306.428 0.845 10 0 DCAEMM C[C@H](CCS(C)(=O)=O)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000128154392 158278924 /nfs/dbraw/zinc/27/89/24/158278924.db2.gz AINPWYQYINVRCB-SECBINFHSA-N -1 1 323.374 0.476 10 0 DCAEMM CNC(=O)CCN(C)C(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000171481673 158383085 /nfs/dbraw/zinc/38/30/85/158383085.db2.gz LJIQSYLNNUDOJQ-UHFFFAOYSA-N -1 1 302.334 0.852 10 0 DCAEMM CNC(=O)CCN(C)C(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000171481673 158383090 /nfs/dbraw/zinc/38/30/90/158383090.db2.gz LJIQSYLNNUDOJQ-UHFFFAOYSA-N -1 1 302.334 0.852 10 0 DCAEMM Cc1ccc2c([O-])c(C(=O)N3C[C@@H](C)O[C@H](CO)C3)cnc2n1 ZINC000408283574 160075630 /nfs/dbraw/zinc/07/56/30/160075630.db2.gz MBEWZCYQSVYRFS-MNOVXSKESA-N -1 1 317.345 0.866 10 0 DCAEMM Cc1ccc2c(=O)c(C(=O)N3C[C@@H](C)O[C@H](CO)C3)c[n-]c2n1 ZINC000408283574 160075631 /nfs/dbraw/zinc/07/56/31/160075631.db2.gz MBEWZCYQSVYRFS-MNOVXSKESA-N -1 1 317.345 0.866 10 0 DCAEMM C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000119920684 286949935 /nfs/dbraw/zinc/94/99/35/286949935.db2.gz VLKGMDKXLNWYNC-WDEREUQCSA-N -1 1 317.345 0.847 10 0 DCAEMM CNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[N@H+]2C)co1 ZINC000151684632 287035428 /nfs/dbraw/zinc/03/54/28/287035428.db2.gz AEGKUWXPOGMZOH-JTQLQIEISA-N -1 1 301.368 0.012 10 0 DCAEMM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000068371568 415396148 /nfs/dbraw/zinc/39/61/48/415396148.db2.gz CLHWYGDPHDZVLI-ZJUUUORDSA-N -1 1 316.361 0.956 10 0 DCAEMM COCc1nc(=NCC(C)(C)N2CCS(=O)CC2)s[n-]1 ZINC000333513613 415671137 /nfs/dbraw/zinc/67/11/37/415671137.db2.gz FQCLWWHCDRLSNT-UHFFFAOYSA-N -1 1 318.468 0.361 10 0 DCAEMM CN1C(=O)CCc2cc(C(=O)NC3(c4nn[n-]n4)CC3)ccc21 ZINC000357053031 416026655 /nfs/dbraw/zinc/02/66/55/416026655.db2.gz KFQOGMFRYIRJAG-UHFFFAOYSA-N -1 1 312.333 0.528 10 0 DCAEMM O=C(CCCc1nc(C2CC2)no1)NC1(c2nn[n-]n2)CC1 ZINC000357062143 416029081 /nfs/dbraw/zinc/02/90/81/416029081.db2.gz WCOFDOHTWBEKOU-UHFFFAOYSA-N -1 1 303.326 0.588 10 0 DCAEMM CC(C)(C)OCc1cc(C(=O)NC2(c3nn[n-]n3)CC2)no1 ZINC000357076445 416030248 /nfs/dbraw/zinc/03/02/48/416030248.db2.gz VOKSUOIWUJQHAI-UHFFFAOYSA-N -1 1 306.326 0.922 10 0 DCAEMM COc1ccc2c(c1)[nH]cc(C(=O)NCc1n[nH]c(=O)[n-]1)c2=O ZINC000359830669 416361526 /nfs/dbraw/zinc/36/15/26/416361526.db2.gz KISKDKLVERTEFP-UHFFFAOYSA-N -1 1 315.289 0.290 10 0 DCAEMM CC(C)[C@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)c1cccnc1 ZINC000437387140 416584425 /nfs/dbraw/zinc/58/44/25/416584425.db2.gz QPAUJBSEYAFMCU-JTQLQIEISA-N -1 1 323.378 0.982 10 0 DCAEMM CC(C)[C@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)c1cccnc1 ZINC000437387140 416584429 /nfs/dbraw/zinc/58/44/29/416584429.db2.gz QPAUJBSEYAFMCU-JTQLQIEISA-N -1 1 323.378 0.982 10 0 DCAEMM C/C=C\C[C@H]([N-]S(=O)(=O)Cc1ccon1)C(=O)OCC ZINC000440089633 416627247 /nfs/dbraw/zinc/62/72/47/416627247.db2.gz DQRPLVUNENKHRO-MZBZXASESA-N -1 1 302.352 0.992 10 0 DCAEMM CCOc1nc2cc(C(=O)NC3(c4nn[n-]n4)CC3)ccc2[nH]1 ZINC000450960495 417285716 /nfs/dbraw/zinc/28/57/16/417285716.db2.gz MTCJUHXNZZFHNX-UHFFFAOYSA-N -1 1 313.321 0.894 10 0 DCAEMM COc1cc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)ccc1F ZINC000358922162 271080680 /nfs/dbraw/zinc/08/06/80/271080680.db2.gz BNHZSTBWOCNSHF-UHFFFAOYSA-N -1 1 314.298 0.608 10 0 DCAEMM COc1cc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)ccc1F ZINC000358922162 271080685 /nfs/dbraw/zinc/08/06/85/271080685.db2.gz BNHZSTBWOCNSHF-UHFFFAOYSA-N -1 1 314.298 0.608 10 0 DCAEMM CC(C)[C@@H]1C(=O)NCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000104766556 275988399 /nfs/dbraw/zinc/98/83/99/275988399.db2.gz HHLJBSIAHHEECV-GFCCVEGCSA-N -1 1 314.345 0.520 10 0 DCAEMM Cc1cccc2nc(CCC(=O)NC[C@@](C)(O)C(=O)[O-])[nH]c21 ZINC000262329197 302050874 /nfs/dbraw/zinc/05/08/74/302050874.db2.gz AQAFCYYEUNYYMI-OAHLLOKOSA-N -1 1 305.334 0.756 10 0 DCAEMM Cn1[n-]c(Cn2cnc3sc4c(c3c2=O)CCCC4)nc1=O ZINC000408207254 302890784 /nfs/dbraw/zinc/89/07/84/302890784.db2.gz HDPYKQWDXXSYIZ-UHFFFAOYSA-N -1 1 317.374 0.807 10 0 DCAEMM COCC[C@H](COC)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000311833086 659374686 /nfs/dbraw/zinc/37/46/86/659374686.db2.gz PKUKFUBZOKYAJG-MRVPVSSYSA-N -1 1 311.791 0.403 10 0 DCAEMM CCOc1cc(N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)ncn1 ZINC000886094893 667731581 /nfs/dbraw/zinc/73/15/81/667731581.db2.gz GMAHDWYHUKNTMF-HNNXBMFYSA-N -1 1 322.365 0.241 10 0 DCAEMM Cc1nc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c2ccccn12 ZINC000741278324 667765729 /nfs/dbraw/zinc/76/57/29/667765729.db2.gz KFKLKEWLDJXWHU-UHFFFAOYSA-N -1 1 320.334 0.417 10 0 DCAEMM Cc1nc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c2ccccn12 ZINC000741278324 667765732 /nfs/dbraw/zinc/76/57/32/667765732.db2.gz KFKLKEWLDJXWHU-UHFFFAOYSA-N -1 1 320.334 0.417 10 0 DCAEMM Cn1nc(C(=O)[O-])cc1CN[C@H]1C[C@@H]1NC(=O)OC(C)(C)C ZINC000757179950 670358732 /nfs/dbraw/zinc/35/87/32/670358732.db2.gz PELWIBVWRQQVTJ-UWVGGRQHSA-N -1 1 310.354 0.874 10 0 DCAEMM Cn1nc(C(=O)[O-])cc1CN[C@H]1C[C@H]1NC(=O)OC(C)(C)C ZINC000757179952 670358771 /nfs/dbraw/zinc/35/87/71/670358771.db2.gz PELWIBVWRQQVTJ-VHSXEESVSA-N -1 1 310.354 0.874 10 0 DCAEMM C[C@@H]1C[C@H](CNS(=O)(=O)c2cc(C(=O)[O-])no2)[C@@H](C)O1 ZINC000686352073 976108172 /nfs/dbraw/zinc/10/81/72/976108172.db2.gz OCUHQZRWJCKQQI-BWZBUEFSSA-N -1 1 304.324 0.465 10 0 DCAEMM O=C([O-])[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc(F)cc1 ZINC000006537393 181351974 /nfs/dbraw/zinc/35/19/74/181351974.db2.gz UNXQUSWWSBJXCJ-NSHDSACASA-N -1 1 313.310 0.523 10 0 DCAEMM COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)[N-]Cc1nc(C)no1 ZINC000234586136 395889223 /nfs/dbraw/zinc/88/92/23/395889223.db2.gz NJRTVDHMVMESOK-IUCAKERBSA-N -1 1 303.340 0.139 10 0 DCAEMM COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)[N-]Cc1nc(C)no1 ZINC000234620923 395889978 /nfs/dbraw/zinc/88/99/78/395889978.db2.gz NJRTVDHMVMESOK-RKDXNWHRSA-N -1 1 303.340 0.139 10 0 DCAEMM CC[C@@H](CO)N1CCN(CC(=O)[N-]OCc2ccccc2)CC1 ZINC000119445166 395870816 /nfs/dbraw/zinc/87/08/16/395870816.db2.gz STLDOWVBFDQPJH-INIZCTEOSA-N -1 1 321.421 0.623 10 0 DCAEMM Cc1ccc2c([O-])c(C(=O)NCC(=O)NC3CC3)cnc2n1 ZINC000119805702 395876379 /nfs/dbraw/zinc/87/63/79/395876379.db2.gz NGLVPBDKAUGMNL-UHFFFAOYSA-N -1 1 300.318 0.652 10 0 DCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)NCC(=O)NC1CC1)c2=O ZINC000119805702 395876382 /nfs/dbraw/zinc/87/63/82/395876382.db2.gz NGLVPBDKAUGMNL-UHFFFAOYSA-N -1 1 300.318 0.652 10 0 DCAEMM Cc1nc2nc(S(=O)(=O)CCO)[n-]c2cc1Br ZINC000152033937 395998070 /nfs/dbraw/zinc/99/80/70/395998070.db2.gz NUPMXXOTTSAWEF-UHFFFAOYSA-N -1 1 320.168 0.795 10 0 DCAEMM Cc1[n-]c2nc(S(=O)(=O)CCO)nc-2cc1Br ZINC000152033937 395998077 /nfs/dbraw/zinc/99/80/77/395998077.db2.gz NUPMXXOTTSAWEF-UHFFFAOYSA-N -1 1 320.168 0.795 10 0 DCAEMM C[C@@H](CN(C)C(=O)Cn1c2ccccc2[nH]c1=O)c1nn[n-]n1 ZINC000183395737 396269404 /nfs/dbraw/zinc/26/94/04/396269404.db2.gz WXDFRULLLARMJL-VIFPVBQESA-N -1 1 315.337 0.105 10 0 DCAEMM Cc1ccc2c([n-]cc(C(=O)NCC(=O)NCC3CC3)c2=O)[nH+]1 ZINC000183613950 396272136 /nfs/dbraw/zinc/27/21/36/396272136.db2.gz HQLOAEIIJPMLMS-UHFFFAOYSA-N -1 1 314.345 0.900 10 0 DCAEMM Cc1ccc2c([O-])c(C(=O)NCC(=O)NCC3CC3)cnc2n1 ZINC000183613950 396272139 /nfs/dbraw/zinc/27/21/39/396272139.db2.gz HQLOAEIIJPMLMS-UHFFFAOYSA-N -1 1 314.345 0.900 10 0 DCAEMM Cn1ncc2c1[n-]cc(C(=O)N[C@@H]1C[C@@H]3OCCC[C@H]13)c2=O ZINC000189330338 396394080 /nfs/dbraw/zinc/39/40/80/396394080.db2.gz YMVNOKKARJDBKR-FXAINCCUSA-N -1 1 302.334 0.971 10 0 DCAEMM CC(C)Cn1ncc2cc(C(=O)NCc3nn[n-]n3)cnc21 ZINC000600503590 396876663 /nfs/dbraw/zinc/87/66/63/396876663.db2.gz WOEGSPDKVZVJOT-UHFFFAOYSA-N -1 1 300.326 0.530 10 0 DCAEMM CSc1ncc(Cl)c(C(=O)NC2(c3nn[n-]n3)CC2)n1 ZINC000578411869 397431806 /nfs/dbraw/zinc/43/18/06/397431806.db2.gz BBBKDDNFFWOZCZ-UHFFFAOYSA-N -1 1 311.758 0.784 10 0 DCAEMM Cn1cc(S(=O)(=O)[N-]c2ccc3nccn3c2)cc1C(N)=O ZINC000606753202 397687507 /nfs/dbraw/zinc/68/75/07/397687507.db2.gz UTVXKEXLSSVZRE-UHFFFAOYSA-N -1 1 319.346 0.573 10 0 DCAEMM CC(C)(C)c1[nH]ncc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000408133753 160044394 /nfs/dbraw/zinc/04/43/94/160044394.db2.gz QNBBHEQEDAHZQJ-SECBINFHSA-N -1 1 315.395 0.946 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)c1cc2c([nH]c1=O)CCCCC2 ZINC000357079680 287203461 /nfs/dbraw/zinc/20/34/61/287203461.db2.gz ZCQVTMPRXXNWCH-UHFFFAOYSA-N -1 1 314.349 0.988 10 0 DCAEMM CCc1cccc2c1N(C(C)=O)C(=O)/C2=C1/NC(=S)[N-]C1=O ZINC000015930257 415149909 /nfs/dbraw/zinc/14/99/09/415149909.db2.gz MNKWLXACZBGEAU-ZHACJKMWSA-N -1 1 315.354 0.858 10 0 DCAEMM COCCn1ccc([N-]S(=O)(=O)N2CCC[C@@H](C)C2)n1 ZINC000172891031 416050185 /nfs/dbraw/zinc/05/01/85/416050185.db2.gz MTQTVUNNKJPIDH-LLVKDONJSA-N -1 1 302.400 0.918 10 0 DCAEMM O=C(C[C@@H]1Oc2ccccc2NC1=O)NC1(c2nn[n-]n2)CC1 ZINC000357072725 416030030 /nfs/dbraw/zinc/03/00/30/416030030.db2.gz MRLQGBIIIUKYHJ-JTQLQIEISA-N -1 1 314.305 0.095 10 0 DCAEMM CNC(=O)[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)C(C)C ZINC000178819414 416174063 /nfs/dbraw/zinc/17/40/63/416174063.db2.gz CLYVNSPRGLCXSO-NSHDSACASA-N -1 1 302.334 0.424 10 0 DCAEMM Cc1cc(C)cc(OCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC000523514771 417086706 /nfs/dbraw/zinc/08/67/06/417086706.db2.gz SSZLMDIYXMFVEI-UHFFFAOYSA-N -1 1 324.362 0.843 10 0 DCAEMM Cc1cc(C)cc(OCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000523514771 417086712 /nfs/dbraw/zinc/08/67/12/417086712.db2.gz SSZLMDIYXMFVEI-UHFFFAOYSA-N -1 1 324.362 0.843 10 0 DCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2COc3ccccc32)n1 ZINC000525752189 417146644 /nfs/dbraw/zinc/14/66/44/417146644.db2.gz HFHIFANMXKEOCR-QMMMGPOBSA-N -1 1 308.319 0.323 10 0 DCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2COc3ccccc32)[n-]1 ZINC000525752189 417146649 /nfs/dbraw/zinc/14/66/49/417146649.db2.gz HFHIFANMXKEOCR-QMMMGPOBSA-N -1 1 308.319 0.323 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000526929997 417191353 /nfs/dbraw/zinc/19/13/53/417191353.db2.gz HMCBPYWTRMNOAJ-ZETCQYMHSA-N -1 1 304.276 0.189 10 0 DCAEMM C[C@H](CN(C)C(=O)[C@H](C)NC(=O)c1ccccc1)c1nn[n-]n1 ZINC000548467045 288146499 /nfs/dbraw/zinc/14/64/99/288146499.db2.gz RULICTKTKMKOMK-MNOVXSKESA-N -1 1 316.365 0.580 10 0 DCAEMM NC(=O)[C@@H]1COCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000180273203 295120598 /nfs/dbraw/zinc/12/05/98/295120598.db2.gz JNGIQRWADSGXNW-ZDUSSCGKSA-N -1 1 300.314 0.872 10 0 DCAEMM NC(=O)c1cc(-c2cnn([C@@H]3CCS(=O)(=O)C3)c2)ccc1[O-] ZINC000584592783 337373542 /nfs/dbraw/zinc/37/35/42/337373542.db2.gz VRSDUVBMJAEGLV-LLVKDONJSA-N -1 1 321.358 0.714 10 0 DCAEMM NC(=O)c1cc(-c2cnn([C@H]3CCS(=O)(=O)C3)c2)ccc1[O-] ZINC000584592784 337373606 /nfs/dbraw/zinc/37/36/06/337373606.db2.gz VRSDUVBMJAEGLV-NSHDSACASA-N -1 1 321.358 0.714 10 0 DCAEMM CC(C)CC(=O)N[C@@H](C(=O)N(C)C[C@H](C)c1nn[n-]n1)C(C)C ZINC000156546116 519597037 /nfs/dbraw/zinc/59/70/37/519597037.db2.gz ONTHTEZMAYPEBC-WCQYABFASA-N -1 1 324.429 0.949 10 0 DCAEMM CCNC(=O)C1CN(C(=O)c2cnc3nc(C)ccc3c2[O-])C1 ZINC000126191474 545768379 /nfs/dbraw/zinc/76/83/79/545768379.db2.gz XSUHOWZHVSWQEJ-UHFFFAOYSA-N -1 1 314.345 0.852 10 0 DCAEMM CCNC(=O)C1CN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)C1 ZINC000126191474 545768385 /nfs/dbraw/zinc/76/83/85/545768385.db2.gz XSUHOWZHVSWQEJ-UHFFFAOYSA-N -1 1 314.345 0.852 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c1Cl ZINC000724549206 658450531 /nfs/dbraw/zinc/45/05/31/658450531.db2.gz YPAPODFUZKOUJG-VGMNWLOBSA-N -1 1 321.786 0.156 10 0 DCAEMM CN1C[C@H](C[N-]S(=O)(=O)c2ccc(Cl)nc2F)CC1=O ZINC000723352898 658639794 /nfs/dbraw/zinc/63/97/94/658639794.db2.gz QCVFZSQHRBGESN-ZETCQYMHSA-N -1 1 321.761 0.631 10 0 DCAEMM O=C([N-]N1CC(=O)NC1=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000175017491 665311547 /nfs/dbraw/zinc/31/15/47/665311547.db2.gz STCPAOFVCVONCP-UHFFFAOYSA-N -1 1 303.253 0.412 10 0 DCAEMM C[C@H](O)[C@H](O)CNC(=O)c1ccc(Br)cc1[O-] ZINC000717388854 667749653 /nfs/dbraw/zinc/74/96/53/667749653.db2.gz YHAKDNUVDVJKQJ-QUBYGPBYSA-N -1 1 304.140 0.626 10 0 DCAEMM CCN(CC(=O)[O-])C(=O)N[C@@H]1CCCN2CCSC[C@H]12 ZINC000720480570 685313772 /nfs/dbraw/zinc/31/37/72/685313772.db2.gz DOEIWFHNSTVWDS-GHMZBOCLSA-N -1 1 301.412 0.682 10 0 DCAEMM NC(=O)CC[C@@H](NC(=O)c1ccc(O)c(Cl)c1)C(=O)[O-] ZINC000019997027 182175395 /nfs/dbraw/zinc/17/53/95/182175395.db2.gz IGYLPSBECXRMEB-MRVPVSSYSA-N -1 1 300.698 0.494 10 0 DCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC[C@H]1CCCO1 ZINC000037981799 395730115 /nfs/dbraw/zinc/73/01/15/395730115.db2.gz BFRVXRBWAJFGQT-SECBINFHSA-N -1 1 317.367 0.434 10 0 DCAEMM Cc1cccc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000040162644 395733000 /nfs/dbraw/zinc/73/30/00/395733000.db2.gz NKXOJRIHICFBPN-GFCCVEGCSA-N -1 1 309.347 0.692 10 0 DCAEMM Nc1cc(=O)[n-]n1S(=O)(=O)c1ccc(O)c2ncccc12 ZINC000205552242 395834834 /nfs/dbraw/zinc/83/48/34/395834834.db2.gz VODGEERWOIOIKE-UHFFFAOYSA-N -1 1 306.303 0.249 10 0 DCAEMM O=C([N-]CCC[N@@H+]1CCC[C@H](n2cncn2)C1)C(F)(F)F ZINC000180621991 396233863 /nfs/dbraw/zinc/23/38/63/396233863.db2.gz WOXDWWWFOSNQPX-JTQLQIEISA-N -1 1 305.304 0.984 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@@H](OC)C2)co1 ZINC000187805961 396374290 /nfs/dbraw/zinc/37/42/90/396374290.db2.gz MXLAQRSIEAOUMZ-ONGXEEELSA-N -1 1 316.379 0.685 10 0 DCAEMM C[C@H]1OCC[C@H]1S(=O)(=O)[N-]Cc1nc(-c2ccncc2)no1 ZINC000189972769 396401788 /nfs/dbraw/zinc/40/17/88/396401788.db2.gz QJHWUTAYEKFAEO-MWLCHTKSSA-N -1 1 324.362 0.728 10 0 DCAEMM COC(=O)CC(C)(C)CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000611555762 396885911 /nfs/dbraw/zinc/88/59/11/396885911.db2.gz PGLAHTWUXNVBKH-UHFFFAOYSA-N -1 1 318.355 0.126 10 0 DCAEMM COC(=O)CC(C)(C)CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000611555762 396885914 /nfs/dbraw/zinc/88/59/14/396885914.db2.gz PGLAHTWUXNVBKH-UHFFFAOYSA-N -1 1 318.355 0.126 10 0 DCAEMM COCC[C@](C)(O)CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000172117209 158390204 /nfs/dbraw/zinc/39/02/04/158390204.db2.gz QOEHPOIAUGDIOQ-HNNXBMFYSA-N -1 1 305.334 0.440 10 0 DCAEMM Cn1[n-]c(CN2CC[C@@](O)(Cc3cccc(Cl)c3)C2)nc1=O ZINC000329584336 159105016 /nfs/dbraw/zinc/10/50/16/159105016.db2.gz LXVITRHABKMTCU-OAHLLOKOSA-N -1 1 322.796 0.941 10 0 DCAEMM CCC[C@@H]1C(=O)NCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000132865252 287007506 /nfs/dbraw/zinc/00/75/06/287007506.db2.gz JTRUMEAXCJTGQA-GFCCVEGCSA-N -1 1 314.345 0.664 10 0 DCAEMM CC(C)OCCS(=O)(=O)[N-]c1cnn(-c2ncccn2)c1 ZINC000176470550 416125618 /nfs/dbraw/zinc/12/56/18/416125618.db2.gz WTPJOMABPQPKKW-UHFFFAOYSA-N -1 1 311.367 0.829 10 0 DCAEMM O=C(Nc1nnn[n-]1)[C@H]1CCCN1c1ncnc2ccccc21 ZINC000361188776 416424553 /nfs/dbraw/zinc/42/45/53/416424553.db2.gz FEZRTQRTIDISPL-LLVKDONJSA-N -1 1 310.321 0.750 10 0 DCAEMM O=C(Nc1nn[n-]n1)[C@H]1CCCN1c1ncnc2ccccc21 ZINC000361188776 416424554 /nfs/dbraw/zinc/42/45/54/416424554.db2.gz FEZRTQRTIDISPL-LLVKDONJSA-N -1 1 310.321 0.750 10 0 DCAEMM O=S(=O)(c1ccccc1)N1CCO[C@@H](c2nn[n-]n2)CC1 ZINC000616665041 417090211 /nfs/dbraw/zinc/09/02/11/417090211.db2.gz IQECYTJHVYXQAM-LLVKDONJSA-N -1 1 309.351 0.352 10 0 DCAEMM CC(C)(C)OC(=O)NCCN1CCOCC[C@@H]1c1nn[n-]n1 ZINC000616657097 417090285 /nfs/dbraw/zinc/09/02/85/417090285.db2.gz LBYXRJPPLPRPEG-SNVBAGLBSA-N -1 1 312.374 0.488 10 0 DCAEMM COCc1ncsc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000550321764 288215352 /nfs/dbraw/zinc/21/53/52/288215352.db2.gz UTBWIEAPGFDUIP-MRVPVSSYSA-N -1 1 308.367 0.822 10 0 DCAEMM O=C([O-])[C@@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccsc1 ZINC000551995869 288256361 /nfs/dbraw/zinc/25/63/61/288256361.db2.gz WRFSPEIYPRVDDW-SECBINFHSA-N -1 1 301.349 0.445 10 0 DCAEMM NC(=O)[C@@H]1COCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000182116044 303307321 /nfs/dbraw/zinc/30/73/21/303307321.db2.gz MPJJCFOFQKERDA-VIFPVBQESA-N -1 1 318.251 0.737 10 0 DCAEMM C[C@@H]1CC[C@@H](CCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)O1 ZINC000439151733 518179610 /nfs/dbraw/zinc/17/96/10/518179610.db2.gz KUOJNBJCKULLJJ-SFYZADRCSA-N -1 1 302.356 0.494 10 0 DCAEMM C[C@@H]1CC[C@@H](CCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)O1 ZINC000439151733 518179611 /nfs/dbraw/zinc/17/96/11/518179611.db2.gz KUOJNBJCKULLJJ-SFYZADRCSA-N -1 1 302.356 0.494 10 0 DCAEMM NC(=O)c1coc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)c1 ZINC000187016954 534519272 /nfs/dbraw/zinc/51/92/72/534519272.db2.gz NXLYERJCCJIAPK-UHFFFAOYSA-N -1 1 312.285 0.545 10 0 DCAEMM C[C@@H](NC(=O)c1ccco1)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000073973313 545667811 /nfs/dbraw/zinc/66/78/11/545667811.db2.gz HZUUEFJDWPYKAI-MRVPVSSYSA-N -1 1 315.289 0.837 10 0 DCAEMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(=O)[nH]n1 ZINC000186697278 666580342 /nfs/dbraw/zinc/58/03/42/666580342.db2.gz GYMCRMZGZVZARI-UHFFFAOYSA-N -1 1 303.731 0.678 10 0 DCAEMM C[C@@H](O)[C@H](O)CNC(=O)c1cc(Br)ccc1[O-] ZINC000717385398 667744199 /nfs/dbraw/zinc/74/41/99/667744199.db2.gz MNUQCVXRPSNKHU-LHLIQPBNSA-N -1 1 304.140 0.626 10 0 DCAEMM CC(C)(NC(=O)N[C@H]1CCCN2CCSC[C@@H]12)C(=O)[O-] ZINC000720479226 685313988 /nfs/dbraw/zinc/31/39/88/685313988.db2.gz BHLPLJJVXRMIHE-UWVGGRQHSA-N -1 1 301.412 0.729 10 0 DCAEMM O=C([O-])CN1CCN(c2nccn(-c3ccccc3)c2=O)CC1 ZINC000073737187 191349805 /nfs/dbraw/zinc/34/98/05/191349805.db2.gz XPABAXRRWTZHJM-UHFFFAOYSA-N -1 1 314.345 0.439 10 0 DCAEMM O=C([O-])C[N@@H+](CC1CC1)C1CC(Nc2cnc(C(=O)[O-])cn2)C1 ZINC000263554383 304066249 /nfs/dbraw/zinc/06/62/49/304066249.db2.gz NGSOLCHNVOUNSW-UHFFFAOYSA-N -1 1 320.349 0.914 10 0 DCAEMM Nc1ccc(S(=O)(=O)Nc2c(N)[nH]c(=S)[n-]c2=O)cc1 ZINC000017142817 395690601 /nfs/dbraw/zinc/69/06/01/395690601.db2.gz STPWLUORFJDZTK-UHFFFAOYSA-N -1 1 313.364 0.810 10 0 DCAEMM Nc1n[n-]c(S(=O)(=O)CCOc2ccccc2Cl)n1 ZINC000008015985 395683906 /nfs/dbraw/zinc/68/39/06/395683906.db2.gz QDTMYOUNIOSLBD-UHFFFAOYSA-N -1 1 302.743 0.893 10 0 DCAEMM Nc1nc(S(=O)(=O)CCOc2ccccc2Cl)n[n-]1 ZINC000008015985 395683907 /nfs/dbraw/zinc/68/39/07/395683907.db2.gz QDTMYOUNIOSLBD-UHFFFAOYSA-N -1 1 302.743 0.893 10 0 DCAEMM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000116982154 395850073 /nfs/dbraw/zinc/85/00/73/395850073.db2.gz MGMWCBYJJVOJGI-SECBINFHSA-N -1 1 318.782 0.809 10 0 DCAEMM CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000116982195 395850155 /nfs/dbraw/zinc/85/01/55/395850155.db2.gz ZCMIKOZIJJJPIX-VIFPVBQESA-N -1 1 318.782 0.809 10 0 DCAEMM O=S(=O)([N-]CCCn1ccnn1)c1cc(F)ccc1F ZINC000183159350 396263325 /nfs/dbraw/zinc/26/33/25/396263325.db2.gz CWKOALSVNUXAHC-UHFFFAOYSA-N -1 1 302.306 0.925 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCCCc2ccccn2)co1 ZINC000179068606 396220556 /nfs/dbraw/zinc/22/05/56/396220556.db2.gz YNXLFVVHEAPQFF-UHFFFAOYSA-N -1 1 323.374 0.945 10 0 DCAEMM CC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000560606757 396621402 /nfs/dbraw/zinc/62/14/02/396621402.db2.gz TXCSROAUVJOEIG-NWDGAFQWSA-N -1 1 306.370 0.307 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000577917230 397370635 /nfs/dbraw/zinc/37/06/35/397370635.db2.gz MMFNUXORNIHTMV-SNVBAGLBSA-N -1 1 318.381 0.486 10 0 DCAEMM O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1cncc([O-])c1 ZINC000377956527 159953357 /nfs/dbraw/zinc/95/33/57/159953357.db2.gz ZQZHTHZJMBAJMC-CYBMUJFWSA-N -1 1 305.334 0.297 10 0 DCAEMM Cc1n[nH]c(C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2C)c1C ZINC000408444955 160109517 /nfs/dbraw/zinc/10/95/17/160109517.db2.gz WTJMJQBCWVQMPH-UHFFFAOYSA-N -1 1 311.367 0.496 10 0 DCAEMM CN(C)C[C@@H]1CN(Cc2nc(=O)c3sccc3[n-]2)CCO1 ZINC000107304962 415663402 /nfs/dbraw/zinc/66/34/02/415663402.db2.gz XTQHJYLJWCUVKJ-SNVBAGLBSA-N -1 1 308.407 0.747 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cccc(C)n2)co1 ZINC000121076498 415793650 /nfs/dbraw/zinc/79/36/50/415793650.db2.gz RUNSVPIEAUTEQX-UHFFFAOYSA-N -1 1 309.347 0.821 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)c1cc(F)ccc1-n1cccn1 ZINC000356927147 416006694 /nfs/dbraw/zinc/00/66/94/416006694.db2.gz CXAIQQVQMLMOKN-UHFFFAOYSA-N -1 1 313.296 0.944 10 0 DCAEMM COCCOC1CCC(C(=O)NC2(c3nn[n-]n3)CC2)CC1 ZINC000356939177 416009218 /nfs/dbraw/zinc/00/92/18/416009218.db2.gz SYURGFXMBMSTNK-UHFFFAOYSA-N -1 1 309.370 0.527 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000357069328 416029023 /nfs/dbraw/zinc/02/90/23/416029023.db2.gz IGLLVPCIGIIINN-SNVBAGLBSA-N -1 1 316.321 0.182 10 0 DCAEMM C[C@@H](Oc1cccc(CO)c1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000357076018 416030808 /nfs/dbraw/zinc/03/08/08/416030808.db2.gz LFVVHKNBLXIASM-SECBINFHSA-N -1 1 303.322 0.265 10 0 DCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2Cc3ccccc3O2)n1 ZINC000439155328 416607886 /nfs/dbraw/zinc/60/78/86/416607886.db2.gz UKMBNXSDZYFGCM-VIFPVBQESA-N -1 1 308.319 0.150 10 0 DCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2Cc3ccccc3O2)[n-]1 ZINC000439155328 416607889 /nfs/dbraw/zinc/60/78/89/416607889.db2.gz UKMBNXSDZYFGCM-VIFPVBQESA-N -1 1 308.319 0.150 10 0 DCAEMM CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000632843882 417280257 /nfs/dbraw/zinc/28/02/57/417280257.db2.gz YUIDBXYFYXEGRQ-QWRGUYRKSA-N -1 1 308.338 0.492 10 0 DCAEMM O=C(N[C@H]1CCCC[C@H]1n1cc(CO)nn1)c1ncccc1[O-] ZINC000530359847 417572043 /nfs/dbraw/zinc/57/20/43/417572043.db2.gz WVSRGGHAULEVGS-NWDGAFQWSA-N -1 1 317.349 0.785 10 0 DCAEMM C[C@@H](NC(=O)c1ccccc1)C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000548467047 288146629 /nfs/dbraw/zinc/14/66/29/288146629.db2.gz RULICTKTKMKOMK-WDEREUQCSA-N -1 1 316.365 0.580 10 0 DCAEMM CC(C)(C)CS(=O)(=O)N1Cc2[nH]cnc2C[C@@H]1C(=O)[O-] ZINC000092778611 545724144 /nfs/dbraw/zinc/72/41/44/545724144.db2.gz ZYCJVMNWKOWOJC-SNVBAGLBSA-N -1 1 301.368 0.597 10 0 DCAEMM CO[C@H](C)c1nc(=NCCN2CCCS2(=O)=O)s[n-]1 ZINC000405365372 546229450 /nfs/dbraw/zinc/22/94/50/546229450.db2.gz UDIHMSSLWJUHOU-MRVPVSSYSA-N -1 1 306.413 0.115 10 0 DCAEMM CC[S@](=O)CCNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000733958791 666832231 /nfs/dbraw/zinc/83/22/31/666832231.db2.gz CPLCANXYXJEENP-QFIPXVFZSA-N -1 1 324.406 0.479 10 0 DCAEMM CC[S@@](=O)CCNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000733958790 666832344 /nfs/dbraw/zinc/83/23/44/666832344.db2.gz CPLCANXYXJEENP-JOCHJYFZSA-N -1 1 324.406 0.479 10 0 DCAEMM CC(=O)N[C@H]1CCCN(CC(=O)[N-]OCc2ccccc2)C1 ZINC000119343604 667119410 /nfs/dbraw/zinc/11/94/10/667119410.db2.gz GBSOWOUCSQTOAL-HNNXBMFYSA-N -1 1 305.378 0.835 10 0 DCAEMM O=C([N-]S(=O)(=O)c1ncccc1F)c1[nH]nc2c1CCCC2 ZINC000190409932 670437698 /nfs/dbraw/zinc/43/76/98/670437698.db2.gz DGUDJXULWRQMCF-UHFFFAOYSA-N -1 1 324.337 0.941 10 0 DCAEMM O=C(c1ccc(Br)cc1[O-])N1C[C@H](O)[C@H](CO)C1 ZINC000316181101 1190412710 /nfs/dbraw/zinc/41/27/10/1190412710.db2.gz QCLZDOCFMKIFTA-CPCISQLKSA-N -1 1 316.151 0.580 10 0 DCAEMM CCc1nc([C@@H]2CN(C(=O)c3cncc(O)c3)CCO2)n[nH]1 ZINC000173756701 198248560 /nfs/dbraw/zinc/24/85/60/198248560.db2.gz NBSBFYAPKYEOPH-NSHDSACASA-N -1 1 303.322 0.681 10 0 DCAEMM COC[C@@](C)(CCO)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000176350758 237196520 /nfs/dbraw/zinc/19/65/20/237196520.db2.gz XOXBUVADCGARGM-OAHLLOKOSA-N -1 1 305.334 0.440 10 0 DCAEMM C[C@@](O)(CNC(=O)c1c([O-])cccc1F)CN1CCOCC1 ZINC000187515338 200122477 /nfs/dbraw/zinc/12/24/77/200122477.db2.gz PJDAYLRRDWXVGC-OAHLLOKOSA-N -1 1 312.341 0.344 10 0 DCAEMM COCCCN(CCO)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000187638036 237348819 /nfs/dbraw/zinc/34/88/19/237348819.db2.gz NBDXVDUCJZIDSL-UHFFFAOYSA-N -1 1 305.334 0.394 10 0 DCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]1O ZINC000089169495 395708838 /nfs/dbraw/zinc/70/88/38/395708838.db2.gz UJQNCFJYMITNIK-WPRPVWTQSA-N -1 1 317.367 0.026 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)[C@H](O)C2)co1 ZINC000089415586 395711248 /nfs/dbraw/zinc/71/12/48/395711248.db2.gz JHDUZZKISZEMLF-PSASIEDQSA-N -1 1 302.352 0.031 10 0 DCAEMM CC(=O)c1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)n(C)c1 ZINC000533572654 396606445 /nfs/dbraw/zinc/60/64/45/396606445.db2.gz KFHXVQAJIZOGND-SNVBAGLBSA-N -1 1 302.338 0.761 10 0 DCAEMM COc1ccc(CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)nc1 ZINC000571948895 397004449 /nfs/dbraw/zinc/00/44/49/397004449.db2.gz AJUJXLJPMZUIGV-SNVBAGLBSA-N -1 1 302.338 0.552 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)co1 ZINC000408185939 160055175 /nfs/dbraw/zinc/05/51/75/160055175.db2.gz FQZMTRWNXLGGGA-JMJZKYOTSA-N -1 1 314.363 0.031 10 0 DCAEMM Cn1ncc2c1[n-]cc(C(=O)N[C@@H]1CCCn3ncnc31)c2=O ZINC000119327825 415742734 /nfs/dbraw/zinc/74/27/34/415742734.db2.gz YLZKBSBPQVLXGS-SNVBAGLBSA-N -1 1 313.321 0.530 10 0 DCAEMM O=C(CCNC(=O)c1ccsc1)NC1(c2nn[n-]n2)CC1 ZINC000357069271 416027910 /nfs/dbraw/zinc/02/79/10/416027910.db2.gz MRHDQZGYJDEJJO-UHFFFAOYSA-N -1 1 306.351 0.187 10 0 DCAEMM CCC(CC)N1C[C@@H](C(=O)NC2(c3nn[n-]n3)CC2)CC1=O ZINC000357076930 416030439 /nfs/dbraw/zinc/03/04/39/416030439.db2.gz NDAIINUVHXOEJU-VIFPVBQESA-N -1 1 306.370 0.342 10 0 DCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1CCOC[C@@H]1C ZINC000192573507 416308306 /nfs/dbraw/zinc/30/83/06/416308306.db2.gz PDDHDMRMNSKQGN-CABZTGNLSA-N -1 1 318.377 0.928 10 0 DCAEMM CO[C@@H]1CCC[C@H](CC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1 ZINC000359374033 416344230 /nfs/dbraw/zinc/34/42/30/416344230.db2.gz VVFFVSADWYFBEG-DTWKUNHWSA-N -1 1 316.383 0.742 10 0 DCAEMM CO[C@@H]1CCC[C@H](CC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC000359374033 416344232 /nfs/dbraw/zinc/34/42/32/416344232.db2.gz VVFFVSADWYFBEG-DTWKUNHWSA-N -1 1 316.383 0.742 10 0 DCAEMM O=C([O-])CCCC(=O)NCCc1n[nH]c(-c2cccnc2)n1 ZINC000616576986 417081959 /nfs/dbraw/zinc/08/19/59/417081959.db2.gz BTHOCJRNEUVIIH-UHFFFAOYSA-N -1 1 303.322 0.780 10 0 DCAEMM O=C([O-])CCCC(=O)NCCc1nc(-c2cccnc2)n[nH]1 ZINC000616576986 417081965 /nfs/dbraw/zinc/08/19/65/417081965.db2.gz BTHOCJRNEUVIIH-UHFFFAOYSA-N -1 1 303.322 0.780 10 0 DCAEMM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)[C@@H](C1CC1)N1CCCC1 ZINC000408483875 303819509 /nfs/dbraw/zinc/81/95/09/303819509.db2.gz MUIIKRKWCHRKTG-QWHCGFSZSA-N -1 1 316.423 0.486 10 0 DCAEMM NS(=O)(=O)c1cccc(-c2cncc(F)c2)c1-c1nn[n-]n1 ZINC000584596536 337374262 /nfs/dbraw/zinc/37/42/62/337374262.db2.gz JMRDKQDNBBFYOV-UHFFFAOYSA-N -1 1 320.309 0.715 10 0 DCAEMM Cc1nn(CC(C)C)c(C)c1CC(=O)NN1CC(=O)[N-]C1=O ZINC000073002302 666539209 /nfs/dbraw/zinc/53/92/09/666539209.db2.gz IOKBLVNXBKINBH-UHFFFAOYSA-N -1 1 307.354 0.281 10 0 DCAEMM O=C([O-])[C@]1(N2CCN(c3ncc(Cl)cn3)CC2)CCOC1 ZINC000886095485 667731518 /nfs/dbraw/zinc/73/15/18/667731518.db2.gz XWJATFQAPSHXOB-ZDUSSCGKSA-N -1 1 312.757 0.496 10 0 DCAEMM Cn1nc(C(=O)[O-])cc1CN[C@@H]1C[C@H]1NC(=O)OC(C)(C)C ZINC000757179946 670358464 /nfs/dbraw/zinc/35/84/64/670358464.db2.gz PELWIBVWRQQVTJ-NXEZZACHSA-N -1 1 310.354 0.874 10 0 DCAEMM O=C([O-])COc1cnc(NS(=O)(=O)c2ccccc2)nc1 ZINC000031554223 395707056 /nfs/dbraw/zinc/70/70/56/395707056.db2.gz BTILBKWIQVVJGT-UHFFFAOYSA-N -1 1 309.303 0.741 10 0 DCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1CCCOC1 ZINC000171567220 396118712 /nfs/dbraw/zinc/11/87/12/396118712.db2.gz YEMUFYDTUSVKQZ-NSHDSACASA-N -1 1 304.350 0.477 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)[C@@H](O)Cc1ccccc1Cl ZINC000579060626 397518944 /nfs/dbraw/zinc/51/89/44/397518944.db2.gz SJVMQIFFWJVOLU-JTQLQIEISA-N -1 1 307.741 0.562 10 0 DCAEMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCN(C)C2)o1 ZINC000606303519 397678971 /nfs/dbraw/zinc/67/89/71/397678971.db2.gz QDHMSBRXCHRSCM-VIFPVBQESA-N -1 1 302.352 0.439 10 0 DCAEMM CCOC(=O)CCCNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000079095035 158077972 /nfs/dbraw/zinc/07/79/72/158077972.db2.gz DJQAERWIABFSKR-UHFFFAOYSA-N -1 1 303.318 0.996 10 0 DCAEMM CCS(=O)(=O)N1CCN(C(=O)c2ncc(C)cc2[O-])CC1 ZINC000408367860 160092921 /nfs/dbraw/zinc/09/29/21/160092921.db2.gz ZEQAQAXXYSMHLC-UHFFFAOYSA-N -1 1 313.379 0.203 10 0 DCAEMM c1ccc(-n2c(Cc3nnn[n-]3)nnc2N2CCOCC2)cc1 ZINC000408496969 160119764 /nfs/dbraw/zinc/11/97/64/160119764.db2.gz HZXVBVLOLZLYFN-UHFFFAOYSA-N -1 1 312.337 0.208 10 0 DCAEMM c1ccc(-n2c(Cc3nn[n-]n3)nnc2N2CCOCC2)cc1 ZINC000408496969 160119765 /nfs/dbraw/zinc/11/97/65/160119765.db2.gz HZXVBVLOLZLYFN-UHFFFAOYSA-N -1 1 312.337 0.208 10 0 DCAEMM O=C(CS(=O)(=O)c1ncn[n-]1)Nc1cc(F)cc(F)c1 ZINC000086169976 415508088 /nfs/dbraw/zinc/50/80/88/415508088.db2.gz JSEZVMCRLCZHAE-UHFFFAOYSA-N -1 1 302.262 0.495 10 0 DCAEMM O=C(CS(=O)(=O)c1nc[n-]n1)Nc1cc(F)cc(F)c1 ZINC000086169976 415508093 /nfs/dbraw/zinc/50/80/93/415508093.db2.gz JSEZVMCRLCZHAE-UHFFFAOYSA-N -1 1 302.262 0.495 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)c1ccccc1N1CCOCC1 ZINC000357046225 416025123 /nfs/dbraw/zinc/02/51/23/416025123.db2.gz CUYMSTWKMPTBPQ-UHFFFAOYSA-N -1 1 314.349 0.455 10 0 DCAEMM COc1ccc2c(c1)C[C@H](C(=O)NC1(c3nn[n-]n3)CC1)CO2 ZINC000357061997 416026533 /nfs/dbraw/zinc/02/65/33/416026533.db2.gz WUKHMUIYYLJNHJ-JTQLQIEISA-N -1 1 315.333 0.565 10 0 DCAEMM CCO[C@@H]1C[C@]([N-]S(=O)(=O)CCOC)(C(=O)OC)C1(C)C ZINC000444278756 416827035 /nfs/dbraw/zinc/82/70/35/416827035.db2.gz UVJLBXLNFSMHPR-MFKMUULPSA-N -1 1 323.411 0.299 10 0 DCAEMM Cc1cnc(C(=O)N2CCc3nn(C)c(=O)cc3C2)c([O-])c1 ZINC000408106311 279008468 /nfs/dbraw/zinc/00/84/68/279008468.db2.gz KDSRNWIWUMOZNR-UHFFFAOYSA-N -1 1 300.318 0.388 10 0 DCAEMM CCN1CCC[C@H]([N-]S(=O)(=O)c2cccnc2F)C1=O ZINC000722349204 660909779 /nfs/dbraw/zinc/90/97/79/660909779.db2.gz NKDMUTIKWIBQLH-VIFPVBQESA-N -1 1 301.343 0.510 10 0 DCAEMM O=C(N[C@H]1CCCn2ncnc21)c1nnc2ccccc2c1O ZINC000175711513 658675281 /nfs/dbraw/zinc/67/52/81/658675281.db2.gz SVMWSHDLXZHBTJ-NSHDSACASA-N -1 1 310.317 0.780 10 0 DCAEMM CCC[C@@H](NC(=O)CN(C)c1ncnc2[nH]cnc21)C(=O)[O-] ZINC000262292116 662310170 /nfs/dbraw/zinc/31/01/70/662310170.db2.gz NUIWEMRTHRWTTM-MRVPVSSYSA-N -1 1 306.326 0.159 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(N)=O)C2)c1Cl ZINC000172612256 664623807 /nfs/dbraw/zinc/62/38/07/664623807.db2.gz XMDHOFCYDIBOTB-JGVFFNPUSA-N -1 1 320.802 0.396 10 0 DCAEMM O=C(NCCC[N@@H+]1CCO[C@@H](Cn2cccn2)C1)C(F)(F)F ZINC000154815997 665184153 /nfs/dbraw/zinc/18/41/53/665184153.db2.gz ZUUXRWDNNAYENT-LLVKDONJSA-N -1 1 320.315 0.653 10 0 DCAEMM CC(C)n1ccc(CN2CCN([C@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC000886071992 667728766 /nfs/dbraw/zinc/72/87/66/667728766.db2.gz VHDBIWNCDHUYFC-MRXNPFEDSA-N -1 1 322.409 0.825 10 0 DCAEMM CS(=O)(=O)CC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000131272121 669663302 /nfs/dbraw/zinc/66/33/02/669663302.db2.gz FGYMHKOHIVWXBH-UHFFFAOYSA-N -1 1 315.775 0.802 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCNC(=O)CC2)c1Cl ZINC000396728474 685270946 /nfs/dbraw/zinc/27/09/46/685270946.db2.gz BVVXGNZSTYUPKW-SSDOTTSWSA-N -1 1 306.775 0.021 10 0 DCAEMM CCN(C)CCNS(=O)(=O)c1cc(C(=O)[O-])n(CC)c1 ZINC000054127545 1171827947 /nfs/dbraw/zinc/82/79/47/1171827947.db2.gz VMZFJXNHKKJFQX-UHFFFAOYSA-N -1 1 303.384 0.436 10 0 DCAEMM CN(CCC(=O)[O-])S(=O)(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000689963971 976270057 /nfs/dbraw/zinc/27/00/57/976270057.db2.gz DQHWUBKLGHRBNA-JTQLQIEISA-N -1 1 307.416 0.100 10 0 DCAEMM CCCS(=O)(=O)CCN1CCCC[C@]1(COC)C(=O)[O-] ZINC000692333610 976423492 /nfs/dbraw/zinc/42/34/92/976423492.db2.gz YCBMRLUTXJRODU-ZDUSSCGKSA-N -1 1 307.412 0.767 10 0 DCAEMM O=C([O-])CCN(CC(=O)NC(=O)NC1CC1)Cc1ccccc1 ZINC000692456943 976489964 /nfs/dbraw/zinc/48/99/64/976489964.db2.gz XCCIADPCHRJFHS-UHFFFAOYSA-N -1 1 319.361 0.952 10 0 DCAEMM O=C([O-])[C@@H]1CN(C(=O)c2ccccc2-c2ncc[nH]2)CCN1 ZINC000071763942 191027031 /nfs/dbraw/zinc/02/70/31/191027031.db2.gz XGGDLVPNESTBCP-LBPRGKRZSA-N -1 1 300.318 0.575 10 0 DCAEMM C[C@H](O)CN1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000186838670 237324044 /nfs/dbraw/zinc/32/40/44/237324044.db2.gz DVNMTDMDQYMENI-NSHDSACASA-N -1 1 316.361 0.062 10 0 DCAEMM O=C([O-])[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1c1ccncc1 ZINC000091535529 193071085 /nfs/dbraw/zinc/07/10/85/193071085.db2.gz YRGMONUBBGDDNF-UONOGXRCSA-N -1 1 319.361 0.040 10 0 DCAEMM CCCCN(C)S(=O)(=O)N1Cc2[nH]cnc2C[C@@H]1C(=O)[O-] ZINC000092778627 395733095 /nfs/dbraw/zinc/73/30/95/395733095.db2.gz AWQYXJOWDYCZBE-LLVKDONJSA-N -1 1 316.383 0.198 10 0 DCAEMM C[C@H](CNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1)N(C)C ZINC000037985816 298775990 /nfs/dbraw/zinc/77/59/90/298775990.db2.gz OXHCDYIFRJRNNF-LLVKDONJSA-N -1 1 314.407 0.932 10 0 DCAEMM Cn1ncc2c1[n-]cc(C(=O)N[C@H]1CCc3ncnn3C1)c2=O ZINC000119247957 415738963 /nfs/dbraw/zinc/73/89/63/415738963.db2.gz YHKAVCGPYNEASQ-QMMMGPOBSA-N -1 1 313.321 0.010 10 0 DCAEMM CN1C(=O)C[C@H](C(=O)Nc2nnn[n-]2)[C@@H]1c1ccc(F)cc1 ZINC000135109642 415957523 /nfs/dbraw/zinc/95/75/23/415957523.db2.gz NIRXJZQBTBJEEE-ONGXEEELSA-N -1 1 304.285 0.497 10 0 DCAEMM CN1C(=O)C[C@H](C(=O)Nc2nn[n-]n2)[C@@H]1c1ccc(F)cc1 ZINC000135109642 415957527 /nfs/dbraw/zinc/95/75/27/415957527.db2.gz NIRXJZQBTBJEEE-ONGXEEELSA-N -1 1 304.285 0.497 10 0 DCAEMM CC1CCC(OCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)CC1 ZINC000359369833 416344018 /nfs/dbraw/zinc/34/40/18/416344018.db2.gz LEVMFXMCTOMFLR-UHFFFAOYSA-N -1 1 316.383 0.742 10 0 DCAEMM CC1CCC(OCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)CC1 ZINC000359369833 416344020 /nfs/dbraw/zinc/34/40/20/416344020.db2.gz LEVMFXMCTOMFLR-UHFFFAOYSA-N -1 1 316.383 0.742 10 0 DCAEMM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)C1COC1)N1CCCCC1 ZINC000408476857 279791310 /nfs/dbraw/zinc/79/13/10/279791310.db2.gz MTEYFMQZUOEJNQ-LBPRGKRZSA-N -1 1 304.412 0.342 10 0 DCAEMM CCCc1nc(=NC(=O)NCCN2CCCOCC2)s[n-]1 ZINC000551050688 288222587 /nfs/dbraw/zinc/22/25/87/288222587.db2.gz AMSKYVBFBNEYBY-UHFFFAOYSA-N -1 1 313.427 0.756 10 0 DCAEMM Cn1nccc1S(=O)(=O)[N-]C(=O)[C@@H](C1CC1)N1CCCC1 ZINC000408485483 303068777 /nfs/dbraw/zinc/06/87/77/303068777.db2.gz QKHBQTAMEZHFKF-GFCCVEGCSA-N -1 1 312.395 0.099 10 0 DCAEMM Cc1ccncc1-c1cccc(S(N)(=O)=O)c1-c1nn[n-]n1 ZINC000584597030 337374348 /nfs/dbraw/zinc/37/43/48/337374348.db2.gz TYPPDRKNERPHMN-UHFFFAOYSA-N -1 1 316.346 0.885 10 0 DCAEMM CCOC(=O)[C@H](C)CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000176421836 527950022 /nfs/dbraw/zinc/95/00/22/527950022.db2.gz LPHQIZYJFGIKFX-SECBINFHSA-N -1 1 303.318 0.852 10 0 DCAEMM CNC(=O)C1CN(C(=O)c2cnc3nc(C)ccc3c2[O-])C1 ZINC000183855340 545910003 /nfs/dbraw/zinc/91/00/03/545910003.db2.gz ZGTXXERLEZDQAQ-UHFFFAOYSA-N -1 1 300.318 0.462 10 0 DCAEMM CNC(=O)C1CN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)C1 ZINC000183855340 545910006 /nfs/dbraw/zinc/91/00/06/545910006.db2.gz ZGTXXERLEZDQAQ-UHFFFAOYSA-N -1 1 300.318 0.462 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCC[C@@H](CO)C2)c1Cl ZINC000311404163 659285721 /nfs/dbraw/zinc/28/57/21/659285721.db2.gz IIPDEXNCGRHIIH-BDAKNGLRSA-N -1 1 307.803 0.903 10 0 DCAEMM C[C@@H]1CN(CCC[N-]C(=O)C(F)(F)F)CCS1(=O)=O ZINC000120645651 667335274 /nfs/dbraw/zinc/33/52/74/667335274.db2.gz XUFBXLQLAZJESP-MRVPVSSYSA-N -1 1 302.318 0.174 10 0 DCAEMM C[C@H]([N-]S(=O)(=O)c1cccnc1F)C(=O)N1CCCC1 ZINC000401826539 774067732 /nfs/dbraw/zinc/06/77/32/774067732.db2.gz GQXPUZKUYUSHLE-VIFPVBQESA-N -1 1 301.343 0.510 10 0 DCAEMM CC[C@@H](O)CN1CCN(CC(=O)[N-]OCc2ccccc2)CC1 ZINC000180517808 199169765 /nfs/dbraw/zinc/16/97/65/199169765.db2.gz AMHXXJLQFOSCLI-MRXNPFEDSA-N -1 1 321.421 0.623 10 0 DCAEMM NC(=O)[C@H]1COCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000180273187 295159442 /nfs/dbraw/zinc/15/94/42/295159442.db2.gz JNGIQRWADSGXNW-CYBMUJFWSA-N -1 1 300.314 0.872 10 0 DCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCC[C@H](O)C1 ZINC000037732133 395729123 /nfs/dbraw/zinc/72/91/23/395729123.db2.gz NROGWSRYGPWUTD-BDAKNGLRSA-N -1 1 317.367 0.168 10 0 DCAEMM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000116982193 395850184 /nfs/dbraw/zinc/85/01/84/395850184.db2.gz ZCMIKOZIJJJPIX-SECBINFHSA-N -1 1 318.782 0.809 10 0 DCAEMM CC(=O)NCCCNC(=O)c1c[n-]c2[nH+]c(C)ccc2c1=O ZINC000194558123 395799474 /nfs/dbraw/zinc/79/94/74/395799474.db2.gz DGBRYTBMOJOXIF-UHFFFAOYSA-N -1 1 302.334 0.900 10 0 DCAEMM CC(=O)NCCCNC(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000194558123 395799476 /nfs/dbraw/zinc/79/94/76/395799476.db2.gz DGBRYTBMOJOXIF-UHFFFAOYSA-N -1 1 302.334 0.900 10 0 DCAEMM O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(Cl)cc1[O-] ZINC000154139945 396032418 /nfs/dbraw/zinc/03/24/18/396032418.db2.gz GECVRXIEPKSSOL-LLVKDONJSA-N -1 1 314.769 0.469 10 0 DCAEMM O=C([C@@H]1CCCc2n[nH]cc21)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000283158721 396313456 /nfs/dbraw/zinc/31/34/56/396313456.db2.gz GFSGZRDCFJVVHO-VHSXEESVSA-N -1 1 316.365 0.647 10 0 DCAEMM O=C([C@H]1CCCc2n[nH]cc21)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000283158720 396313550 /nfs/dbraw/zinc/31/35/50/396313550.db2.gz GFSGZRDCFJVVHO-UWVGGRQHSA-N -1 1 316.365 0.647 10 0 DCAEMM C[C@H]1OCC[C@H]1[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000292967913 396579090 /nfs/dbraw/zinc/57/90/90/396579090.db2.gz DDUUZTJNSPMQQU-RNFRBKRXSA-N -1 1 313.301 0.895 10 0 DCAEMM O=S(=O)([N-][C@H]1CCOC[C@H]1O)c1ccc(F)c(F)c1F ZINC000625593396 396940111 /nfs/dbraw/zinc/94/01/11/396940111.db2.gz AIEOAQMWMSDJHW-JGVFFNPUSA-N -1 1 311.281 0.532 10 0 DCAEMM CC(=O)c1cccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC000487332232 397469631 /nfs/dbraw/zinc/46/96/31/397469631.db2.gz DCPZEBJMOGWWOQ-UHFFFAOYSA-N -1 1 308.319 0.663 10 0 DCAEMM CC(=O)c1cccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000487332232 397469633 /nfs/dbraw/zinc/46/96/33/397469633.db2.gz DCPZEBJMOGWWOQ-UHFFFAOYSA-N -1 1 308.319 0.663 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C)[C@H]2CO)o1 ZINC000408137566 160045371 /nfs/dbraw/zinc/04/53/71/160045371.db2.gz JQAZUDGQQIHVKE-VHSXEESVSA-N -1 1 316.379 0.421 10 0 DCAEMM Cc1cnc(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c([O-])c1 ZINC000408365166 160093239 /nfs/dbraw/zinc/09/32/39/160093239.db2.gz HDCMFODEHINPLJ-JTQLQIEISA-N -1 1 313.379 0.249 10 0 DCAEMM Cc1ccccc1S(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000088715148 415519205 /nfs/dbraw/zinc/51/92/05/415519205.db2.gz MLVSXTHTQHUBCA-NSHDSACASA-N -1 1 309.347 0.692 10 0 DCAEMM Cc1c(C(=O)NC2(c3nn[n-]n3)CC2)nnn1-c1ccccc1 ZINC000357058910 416026441 /nfs/dbraw/zinc/02/64/41/416026441.db2.gz SFYQNZISZVREGN-UHFFFAOYSA-N -1 1 310.321 0.508 10 0 DCAEMM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000175240692 416101107 /nfs/dbraw/zinc/10/11/07/416101107.db2.gz CFLJZOSSPZGTMG-SECBINFHSA-N -1 1 302.327 0.295 10 0 DCAEMM O=C(Cc1cc2ccccc2[nH]c1=O)NC1(c2nn[n-]n2)CC1 ZINC000515403214 416701264 /nfs/dbraw/zinc/70/12/64/416701264.db2.gz WZWFQJCXYCXGSM-UHFFFAOYSA-N -1 1 310.317 0.802 10 0 DCAEMM Cn1[n-]c(Cn2cnc3sc4c(c3c2=O)CCC4)nc1=O ZINC000329833536 294130435 /nfs/dbraw/zinc/13/04/35/294130435.db2.gz KUJRWIRQRODSLG-UHFFFAOYSA-N -1 1 303.347 0.417 10 0 DCAEMM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)[C@@H](C1CC1)N1CCCC1 ZINC000408485220 303819090 /nfs/dbraw/zinc/81/90/90/303819090.db2.gz PUWFCQWIGHQYLI-VXGBXAGGSA-N -1 1 302.396 0.096 10 0 DCAEMM O=C(CN1CCCCCC1=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000584401618 337318886 /nfs/dbraw/zinc/31/88/86/337318886.db2.gz SINGUVSSKLVPIL-LLVKDONJSA-N -1 1 306.370 0.308 10 0 DCAEMM NC(=O)c1cc(-c2cnn(C3CS(=O)(=O)C3)c2)ccc1[O-] ZINC000584592231 337373629 /nfs/dbraw/zinc/37/36/29/337373629.db2.gz WYLHMANVDGBGIN-UHFFFAOYSA-N -1 1 307.331 0.324 10 0 DCAEMM NS(=O)(=O)c1cccc(-c2cccnc2)c1-c1nn[n-]n1 ZINC000584597093 337374313 /nfs/dbraw/zinc/37/43/13/337374313.db2.gz ZFKNEOQKUNISTF-UHFFFAOYSA-N -1 1 302.319 0.576 10 0 DCAEMM COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ncccc1[O-] ZINC000132023394 523225980 /nfs/dbraw/zinc/22/59/80/523225980.db2.gz OVDOJQYTKQTEDO-SECBINFHSA-N -1 1 303.322 0.790 10 0 DCAEMM CNC(=O)[C@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)C(C)C ZINC000178930688 662029342 /nfs/dbraw/zinc/02/93/42/662029342.db2.gz AFXNVLWBYJTRKY-MRVPVSSYSA-N -1 1 322.818 0.431 10 0 DCAEMM CCn1nc(C)c(CC(=O)N2CCC[C@H]2c2nn[n-]n2)c1C ZINC000900397433 663240907 /nfs/dbraw/zinc/24/09/07/663240907.db2.gz VKLZYEVKODHJOP-LBPRGKRZSA-N -1 1 303.370 0.939 10 0 DCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C1CC(OC)C1 ZINC000230724695 664623904 /nfs/dbraw/zinc/62/39/04/664623904.db2.gz JXDVIJYCXLPCNQ-UHFFFAOYSA-N -1 1 303.340 0.042 10 0 DCAEMM Cc1oc(C)c(S(=O)(=O)N2CC[C@@H](N(C)C)C2)c1C(=O)[O-] ZINC000062966763 664625087 /nfs/dbraw/zinc/62/50/87/664625087.db2.gz DSSCXAFXRBPXBU-SNVBAGLBSA-N -1 1 316.379 0.919 10 0 DCAEMM O=C(Nc1nnn[n-]1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000170852271 665386502 /nfs/dbraw/zinc/38/65/02/665386502.db2.gz WSBXREUIPPIJKG-UHFFFAOYSA-N -1 1 321.240 0.746 10 0 DCAEMM O=C(Nc1nn[n-]n1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000170852271 665386504 /nfs/dbraw/zinc/38/65/04/665386504.db2.gz WSBXREUIPPIJKG-UHFFFAOYSA-N -1 1 321.240 0.746 10 0 DCAEMM Cc1cnc(N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)nc1C ZINC000886094871 667731390 /nfs/dbraw/zinc/73/13/90/667731390.db2.gz FSRHNPCWXUQLJN-OAHLLOKOSA-N -1 1 306.366 0.459 10 0 DCAEMM COc1nc(C)cc(N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC000886095223 667731414 /nfs/dbraw/zinc/73/14/14/667731414.db2.gz OGGFGLJFBAVFHS-HNNXBMFYSA-N -1 1 322.365 0.159 10 0 DCAEMM O=S(=O)([N-][C@H](CO)CC(F)(F)F)c1cccnc1F ZINC000717839502 685303763 /nfs/dbraw/zinc/30/37/63/685303763.db2.gz KCXTVUJKOBODKZ-LURJTMIESA-N -1 1 302.249 0.812 10 0 DCAEMM CCCN1CC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000694152234 976671215 /nfs/dbraw/zinc/67/12/15/976671215.db2.gz UQQZHTTZYJOACD-SNVBAGLBSA-N -1 1 302.352 0.740 10 0 DCAEMM C[C@@H]1C(=O)N(C)CCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000187082500 237336888 /nfs/dbraw/zinc/33/68/88/237336888.db2.gz LUHWIYPEMAJBFG-SECBINFHSA-N -1 1 300.318 0.226 10 0 DCAEMM O=C([O-])[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccccc1F ZINC000040162407 395732871 /nfs/dbraw/zinc/73/28/71/395732871.db2.gz JREAMVNUZKULQV-JTQLQIEISA-N -1 1 313.310 0.523 10 0 DCAEMM O=S(=O)([N-][C@H]1CCc2ncnn2C1)c1cccc(F)c1F ZINC000113298369 395829385 /nfs/dbraw/zinc/82/93/85/395829385.db2.gz JLIZGXJFQSWXJB-QMMMGPOBSA-N -1 1 314.317 0.850 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCSCC2)co1 ZINC000120085239 395880383 /nfs/dbraw/zinc/88/03/83/395880383.db2.gz YXJKLMXYZGPBGO-UHFFFAOYSA-N -1 1 304.393 0.767 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)co1 ZINC000178886770 396213070 /nfs/dbraw/zinc/21/30/70/396213070.db2.gz UIUQMNIKNGEBEB-NSHDSACASA-N -1 1 313.379 0.108 10 0 DCAEMM COCCN1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000192754414 396436628 /nfs/dbraw/zinc/43/66/28/396436628.db2.gz DTXDJCCGGCAQMU-UHFFFAOYSA-N -1 1 316.361 0.327 10 0 DCAEMM C[C@@H](CNC(=O)c1nc2ccccc2c(=O)[n-]1)N1CCOCC1 ZINC000073655530 158054867 /nfs/dbraw/zinc/05/48/67/158054867.db2.gz UTUJYJURQKFPKH-NSHDSACASA-N -1 1 316.361 0.374 10 0 DCAEMM O=C(CNC(=O)c1nc2ccccc2c(=O)[n-]1)N1CCCCC1 ZINC000076405248 158065305 /nfs/dbraw/zinc/06/53/05/158065305.db2.gz MWZBLWRMTQHCMJ-UHFFFAOYSA-N -1 1 314.345 0.665 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC([C@H](C)O)CC2)o1 ZINC000408189991 160056372 /nfs/dbraw/zinc/05/63/72/160056372.db2.gz RIKMGBIVYSOKCC-VIFPVBQESA-N -1 1 316.379 0.421 10 0 DCAEMM C[C@H]1CCCN(C(=O)C(=O)NC2(c3nn[n-]n3)CCCC2)C1 ZINC000408440113 160108263 /nfs/dbraw/zinc/10/82/63/160108263.db2.gz YHFCYPXEWZWIKW-JTQLQIEISA-N -1 1 306.370 0.344 10 0 DCAEMM C[C@@H](NC(=O)c1ccccc1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000357051531 416026727 /nfs/dbraw/zinc/02/67/27/416026727.db2.gz JDVYBEJRUSUREV-SECBINFHSA-N -1 1 300.322 0.124 10 0 DCAEMM CCCCC(=O)N1CSC[C@@H]1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000357076685 416029645 /nfs/dbraw/zinc/02/96/45/416029645.db2.gz MKCCFTHFUCFWIK-SECBINFHSA-N -1 1 324.410 0.397 10 0 DCAEMM NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000175556054 416108693 /nfs/dbraw/zinc/10/86/93/416108693.db2.gz JRHIEFOEFPQRID-GXSJLCMTSA-N -1 1 314.345 0.697 10 0 DCAEMM COC(=O)[C@]1(C)CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000177064275 416139791 /nfs/dbraw/zinc/13/97/91/416139791.db2.gz TUOYTZQRZRMCOS-MRXNPFEDSA-N -1 1 315.329 0.948 10 0 DCAEMM CC(C)(C)OC(=O)N1CC[C@@H](n2nnc(CN)c2C(=O)[O-])C1 ZINC000675053382 547657788 /nfs/dbraw/zinc/65/77/88/547657788.db2.gz NIGPEPASBWZJMF-MRVPVSSYSA-N -1 1 311.342 0.617 10 0 DCAEMM O=C(CCC(=O)N1CCOc2ccccc21)Nc1nnn[n-]1 ZINC000730278648 664674990 /nfs/dbraw/zinc/67/49/90/664674990.db2.gz UOGNHCLIEBKFOK-UHFFFAOYSA-N -1 1 302.294 0.344 10 0 DCAEMM O=C(CCC(=O)N1CCOc2ccccc21)Nc1nn[n-]n1 ZINC000730278648 664674991 /nfs/dbraw/zinc/67/49/91/664674991.db2.gz UOGNHCLIEBKFOK-UHFFFAOYSA-N -1 1 302.294 0.344 10 0 DCAEMM COCCCCS(=O)(=O)[N-]C(=O)c1[nH]nc2c1CCCC2 ZINC000184572421 666232604 /nfs/dbraw/zinc/23/26/04/666232604.db2.gz ZQMVEQSAOIFBRX-UHFFFAOYSA-N -1 1 315.395 0.775 10 0 DCAEMM C[C@H]1NC(=O)CC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000282652427 217154217 /nfs/dbraw/zinc/15/42/17/217154217.db2.gz UUBDQMHFNLNXIR-XCBNKYQSSA-N -1 1 304.318 0.910 10 0 DCAEMM CCCCOCC[N-]S(=O)(=O)c1n[nH]cc1C(=O)OCC ZINC000040507488 183085374 /nfs/dbraw/zinc/08/53/74/183085374.db2.gz NZPCVZFTMGQBGF-UHFFFAOYSA-N -1 1 319.383 0.681 10 0 DCAEMM Cc1cc(CS(=O)(=O)[N-]C[C@@](C)(O)C(F)(F)F)no1 ZINC000270554409 395782716 /nfs/dbraw/zinc/78/27/16/395782716.db2.gz NJZGLLDUJDQFPQ-MRVPVSSYSA-N -1 1 302.274 0.716 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CO)c1Cl ZINC000230149578 395878652 /nfs/dbraw/zinc/87/86/52/395878652.db2.gz PJFFVZUSZCYSAV-RKDXNWHRSA-N -1 1 307.803 0.903 10 0 DCAEMM Nc1ccncc1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262075400 396096554 /nfs/dbraw/zinc/09/65/54/396096554.db2.gz BZWNWAUFXPXSMU-HTQZYQBOSA-N -1 1 303.240 0.999 10 0 DCAEMM O=C([C@H]1CCCc2n[nH]cc21)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000283158722 396313467 /nfs/dbraw/zinc/31/34/67/396313467.db2.gz GFSGZRDCFJVVHO-ZJUUUORDSA-N -1 1 316.365 0.647 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)[C@H](O)Cc1ccccc1Cl ZINC000579060630 397518832 /nfs/dbraw/zinc/51/88/32/397518832.db2.gz SJVMQIFFWJVOLU-SNVBAGLBSA-N -1 1 307.741 0.562 10 0 DCAEMM CSC[C@H](CCO)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000077513080 158068040 /nfs/dbraw/zinc/06/80/40/158068040.db2.gz RJLGULLOMJDCSA-VIFPVBQESA-N -1 1 307.375 0.767 10 0 DCAEMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@]2(C1)NC(=O)NC2=O ZINC000084796737 158088934 /nfs/dbraw/zinc/08/89/34/158088934.db2.gz CKGUOCNSHRSBMY-CYBMUJFWSA-N -1 1 309.709 0.470 10 0 DCAEMM O=C(c1cc(F)cc2nn[nH]c21)N1CC[C@H](N2CCOCC2)C1 ZINC000328658206 159017712 /nfs/dbraw/zinc/01/77/12/159017712.db2.gz QPXLSHIFJGDXLV-NSHDSACASA-N -1 1 319.340 0.644 10 0 DCAEMM CC(C)C(=O)NCCN(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000132528441 287005760 /nfs/dbraw/zinc/00/57/60/287005760.db2.gz SQSGFYYYXXCQKS-UHFFFAOYSA-N -1 1 316.361 0.767 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC[C@@H]2O)co1 ZINC000153109841 415974735 /nfs/dbraw/zinc/97/47/35/415974735.db2.gz DMSWLQZYXSWRGW-ONGXEEELSA-N -1 1 316.379 0.469 10 0 DCAEMM Cc1nn(CC(F)(F)F)cc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000357052083 416026589 /nfs/dbraw/zinc/02/65/89/416026589.db2.gz QXNPEMFGPFUUCA-UHFFFAOYSA-N -1 1 315.259 0.686 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)c1csc(-c2cnccn2)n1 ZINC000357052890 416026747 /nfs/dbraw/zinc/02/67/47/416026747.db2.gz JPVWGOQBLBRBBA-UHFFFAOYSA-N -1 1 314.334 0.532 10 0 DCAEMM CCCCC(=O)N1CSC[C@H]1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000357076688 416029820 /nfs/dbraw/zinc/02/98/20/416029820.db2.gz MKCCFTHFUCFWIK-VIFPVBQESA-N -1 1 324.410 0.397 10 0 DCAEMM CCO[C@@H]1C[C@@]([N-]S(=O)(=O)CCOC)(C(=O)OC)C1(C)C ZINC000444278757 416825652 /nfs/dbraw/zinc/82/56/52/416825652.db2.gz UVJLBXLNFSMHPR-ZWNOBZJWSA-N -1 1 323.411 0.299 10 0 DCAEMM CC(C)C[C@H](C)OCCC(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000446862068 416952888 /nfs/dbraw/zinc/95/28/88/416952888.db2.gz OUJAYAINPDQGLF-VIFPVBQESA-N -1 1 318.399 0.988 10 0 DCAEMM CC(C)C[C@H](C)OCCC(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000446862068 416952894 /nfs/dbraw/zinc/95/28/94/416952894.db2.gz OUJAYAINPDQGLF-VIFPVBQESA-N -1 1 318.399 0.988 10 0 DCAEMM COc1cc(CC(=O)NC2(c3nn[n-]n3)CC2)cc(OC)c1O ZINC000447587188 417009985 /nfs/dbraw/zinc/00/99/85/417009985.db2.gz QIKKUYDPCZXFCJ-UHFFFAOYSA-N -1 1 319.321 0.271 10 0 DCAEMM C[C@@H]1CCNC(=O)[C@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000194783454 261148739 /nfs/dbraw/zinc/14/87/39/261148739.db2.gz JCLIBVCAOWWXMZ-KCJUWKMLSA-N -1 1 300.318 0.178 10 0 DCAEMM O=C(c1ccc(Br)cc1[O-])N1CCOC[C@@H]1CO ZINC000168203889 664521124 /nfs/dbraw/zinc/52/11/24/664521124.db2.gz GPGZUUCMXCFXAL-VIFPVBQESA-N -1 1 316.151 0.988 10 0 DCAEMM C=CCNC(=O)NC(=O)COC(=O)c1c([O-])cc(F)cc1F ZINC000063543560 664630475 /nfs/dbraw/zinc/63/04/75/664630475.db2.gz VVDVMPOTTDLALC-UHFFFAOYSA-N -1 1 314.244 0.839 10 0 DCAEMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000130321783 669615673 /nfs/dbraw/zinc/61/56/73/669615673.db2.gz KPIRUMBRZDUONK-NWDGAFQWSA-N -1 1 302.334 0.858 10 0 DCAEMM CNC(=O)C(C)(C)CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000162750913 529839703 /nfs/dbraw/zinc/83/97/03/529839703.db2.gz KJSUPTAKWTWGOT-UHFFFAOYSA-N -1 1 302.334 0.425 10 0 DCAEMM Cc1noc([C@H](C)N2CCN(C(=O)c3cncc([O-])c3)CC2)n1 ZINC000171871854 197998759 /nfs/dbraw/zinc/99/87/59/197998759.db2.gz AWLSLMPFCBNXQB-JTQLQIEISA-N -1 1 317.349 0.998 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)[C@H](O)C2)o1 ZINC000089427139 395711800 /nfs/dbraw/zinc/71/18/00/395711800.db2.gz PVHRIYJOYLVARD-RKDXNWHRSA-N -1 1 302.352 0.031 10 0 DCAEMM COC(=O)c1nn(-c2ccc(OC)c(OC)c2)c([O-])cc1=O ZINC000168390462 396089657 /nfs/dbraw/zinc/08/96/57/396089657.db2.gz SDEVHROUMFWCDU-UHFFFAOYSA-N -1 1 306.274 0.742 10 0 DCAEMM CCN(C)C(=O)CNC(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000186431841 396349983 /nfs/dbraw/zinc/34/99/83/396349983.db2.gz YZTOTPDOVGIFEZ-UHFFFAOYSA-N -1 1 302.334 0.852 10 0 DCAEMM CCN(C)C(=O)CNC(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000186431841 396349985 /nfs/dbraw/zinc/34/99/85/396349985.db2.gz YZTOTPDOVGIFEZ-UHFFFAOYSA-N -1 1 302.334 0.852 10 0 DCAEMM C[C@H]1OCC[C@@H]1S(=O)(=O)[N-]Cc1nc(-c2ccncc2)no1 ZINC000189972816 396401780 /nfs/dbraw/zinc/40/17/80/396401780.db2.gz QJHWUTAYEKFAEO-KOLCDFICSA-N -1 1 324.362 0.728 10 0 DCAEMM C[C@@H]1CN(C(=O)c2cc(F)ccc2[O-])CCN1S(C)(=O)=O ZINC000618676839 397010106 /nfs/dbraw/zinc/01/01/06/397010106.db2.gz ZCYCHZAYWRPJEW-SECBINFHSA-N -1 1 316.354 0.637 10 0 DCAEMM NC(=O)c1cccc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)c1 ZINC000073655573 158055833 /nfs/dbraw/zinc/05/58/33/158055833.db2.gz MRKMMXYMSFJKBT-UHFFFAOYSA-N -1 1 322.324 0.952 10 0 DCAEMM O=C(c1cc(F)cc2nn[nH]c21)N1CC[C@@H](N2CCOCC2)C1 ZINC000328658205 159017317 /nfs/dbraw/zinc/01/73/17/159017317.db2.gz QPXLSHIFJGDXLV-LLVKDONJSA-N -1 1 319.340 0.644 10 0 DCAEMM Cc1ccc(-n2cc(C(=O)NC3(c4nn[n-]n4)CC3)nn2)cc1 ZINC000357066174 416029367 /nfs/dbraw/zinc/02/93/67/416029367.db2.gz GSMYINOMQVIGKZ-UHFFFAOYSA-N -1 1 310.321 0.508 10 0 DCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)CCC2CCOCC2)n1 ZINC000439153337 416608810 /nfs/dbraw/zinc/60/88/10/416608810.db2.gz OWKCUPLWUGNMCZ-UHFFFAOYSA-N -1 1 302.356 0.354 10 0 DCAEMM CS(=O)(=O)c1nnc(NC(=O)CCC2CCOCC2)[n-]1 ZINC000439153337 416608813 /nfs/dbraw/zinc/60/88/13/416608813.db2.gz OWKCUPLWUGNMCZ-UHFFFAOYSA-N -1 1 302.356 0.354 10 0 DCAEMM COc1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c(O)c1 ZINC000436943067 416576799 /nfs/dbraw/zinc/57/67/99/416576799.db2.gz XYCNYXOMBBOYEZ-UHFFFAOYSA-N -1 1 312.307 0.175 10 0 DCAEMM COc1ccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c(O)c1 ZINC000436943067 416576803 /nfs/dbraw/zinc/57/68/03/416576803.db2.gz XYCNYXOMBBOYEZ-UHFFFAOYSA-N -1 1 312.307 0.175 10 0 DCAEMM C/C=C\C[C@H]([N-]S(=O)(=O)C[C@@H](C)C(=O)OC)C(=O)OCC ZINC000440089166 416625557 /nfs/dbraw/zinc/62/55/57/416625557.db2.gz CUBXBYOEBDLEAB-PYIHCCSZSA-N -1 1 321.395 0.613 10 0 DCAEMM Cc1nc(C)c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)nc1C ZINC000545239511 416668955 /nfs/dbraw/zinc/66/89/55/416668955.db2.gz SLTHKSRMDLEXFK-LLVKDONJSA-N -1 1 301.354 0.935 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)c1ccc(O[C@H]2CCOC2)cc1 ZINC000447589158 417008662 /nfs/dbraw/zinc/00/86/62/417008662.db2.gz XAYXWRLISCBHEH-LBPRGKRZSA-N -1 1 315.333 0.787 10 0 DCAEMM O=S(=O)([N-]CC[C@@]1(O)CCOC1)c1cc(F)ccc1F ZINC000404153619 417118844 /nfs/dbraw/zinc/11/88/44/417118844.db2.gz ORZXNIFSOARDIL-GFCCVEGCSA-N -1 1 307.318 0.785 10 0 DCAEMM O=S(=O)([N-]CC[C@]1(O)CCOC1)c1cc(F)ccc1F ZINC000404153620 417119151 /nfs/dbraw/zinc/11/91/51/417119151.db2.gz ORZXNIFSOARDIL-LBPRGKRZSA-N -1 1 307.318 0.785 10 0 DCAEMM COC(=O)c1ccc(CCC(=O)c2c(N)nc(N)[n-]c2=O)cc1 ZINC000575417837 417535688 /nfs/dbraw/zinc/53/56/88/417535688.db2.gz YDYZXSXSUYUFOT-UHFFFAOYSA-N -1 1 316.317 0.949 10 0 DCAEMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1C(=O)NCC[C@@H]1C ZINC000195476157 302783022 /nfs/dbraw/zinc/78/30/22/302783022.db2.gz BHBLWJYBQSXHQB-POYBYMJQSA-N -1 1 320.802 0.185 10 0 DCAEMM Cn1ncc2c1[n-]cc(C(=O)N1CCOC[C@@H]1C1CC1)c2=O ZINC000119449038 303060084 /nfs/dbraw/zinc/06/00/84/303060084.db2.gz UHNZBEGXJQICOH-GFCCVEGCSA-N -1 1 302.334 0.925 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCCn2cc(C)cn2)co1 ZINC000152357625 522265125 /nfs/dbraw/zinc/26/51/25/522265125.db2.gz MFUCIPBTEYCQFP-UHFFFAOYSA-N -1 1 312.351 0.123 10 0 DCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1CC[C@H](C)O1 ZINC000154838101 527115577 /nfs/dbraw/zinc/11/55/77/527115577.db2.gz ADKXZVNCZOTKDY-QPUJVOFHSA-N -1 1 304.350 0.823 10 0 DCAEMM O=C(c1cc(Br)ccc1[O-])N1CCOC[C@H]1CO ZINC000236515528 661372422 /nfs/dbraw/zinc/37/24/22/661372422.db2.gz ZRTHSEXUQBSGCX-SECBINFHSA-N -1 1 316.151 0.988 10 0 DCAEMM CCCC(=O)NCC(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067079444 661436611 /nfs/dbraw/zinc/43/66/11/661436611.db2.gz AUIKRTGYXYXTNA-UHFFFAOYSA-N -1 1 311.411 0.851 10 0 DCAEMM CCN1CCO[C@H](C[N-]S(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000134702172 667551093 /nfs/dbraw/zinc/55/10/93/667551093.db2.gz RYPCTNDGGUSVJE-SECBINFHSA-N -1 1 322.818 0.073 10 0 DCAEMM CC(C)n1ncnc1CN1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC000886071895 667728337 /nfs/dbraw/zinc/72/83/37/667728337.db2.gz OWTMOECFEZJFJE-OAHLLOKOSA-N -1 1 323.397 0.220 10 0 DCAEMM Cc1cnc(N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)nc1C ZINC000886094870 667731424 /nfs/dbraw/zinc/73/14/24/667731424.db2.gz FSRHNPCWXUQLJN-HNNXBMFYSA-N -1 1 306.366 0.459 10 0 DCAEMM COc1ncc(S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F)s1 ZINC000717381562 667735867 /nfs/dbraw/zinc/73/58/67/667735867.db2.gz ZDAXSEHTJUMKMP-YFKPBYRVSA-N -1 1 320.314 0.743 10 0 DCAEMM COC[C@]1(C(=O)[O-])CCCCN1CCS(=O)(=O)C(C)C ZINC000692333236 976423702 /nfs/dbraw/zinc/42/37/02/976423702.db2.gz VZJMIKQDJJSAHC-ZDUSSCGKSA-N -1 1 307.412 0.765 10 0 DCAEMM CN(C1CCN(C)CC1)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694173724 976674676 /nfs/dbraw/zinc/67/46/76/976674676.db2.gz UYWFJWPFYCATGV-UHFFFAOYSA-N -1 1 302.352 0.693 10 0 DCAEMM NC(=O)[C@@H]1COCCN1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000180230019 199133274 /nfs/dbraw/zinc/13/32/74/199133274.db2.gz IAORINJAJKURFW-LBPRGKRZSA-N -1 1 304.302 0.185 10 0 DCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CSC1(C)C ZINC000282807120 217264593 /nfs/dbraw/zinc/26/45/93/217264593.db2.gz ZTNYEMVJQNWIDV-MRVPVSSYSA-N -1 1 319.408 0.759 10 0 DCAEMM O=C(NCCCc1nc(=O)[n-][nH]1)[C@H]1CCCN1c1nccs1 ZINC000164350644 132150919 /nfs/dbraw/zinc/15/09/19/132150919.db2.gz ZNQXILBNRUWKKQ-SECBINFHSA-N -1 1 322.394 0.272 10 0 DCAEMM O=S(=O)([N-][C@@H]1CCc2ncnn2C1)c1cc(F)ccc1F ZINC000113298839 395829417 /nfs/dbraw/zinc/82/94/17/395829417.db2.gz RFETXZGYBOOLNJ-SECBINFHSA-N -1 1 314.317 0.850 10 0 DCAEMM CS[C@H](CO)[C@@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000153088263 396020419 /nfs/dbraw/zinc/02/04/19/396020419.db2.gz LNWBDBBPQNIWIQ-LDYMZIIASA-N -1 1 307.375 0.765 10 0 DCAEMM COC(=O)[C@@H]1CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000170791564 396097783 /nfs/dbraw/zinc/09/77/83/396097783.db2.gz MMPLCYLURZJXSR-SNVBAGLBSA-N -1 1 315.329 0.948 10 0 DCAEMM CCN(C)C(=O)C[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000185992306 396338266 /nfs/dbraw/zinc/33/82/66/396338266.db2.gz MOFBPANMKISIEX-UHFFFAOYSA-N -1 1 308.791 0.139 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2[C@H](C)COC[C@@H]2C)o1 ZINC000265908174 396349104 /nfs/dbraw/zinc/34/91/04/396349104.db2.gz XPKBXHWYFUZXGR-DTORHVGOSA-N -1 1 302.352 0.437 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2cc[nH]n2)co1 ZINC000370607030 397508166 /nfs/dbraw/zinc/50/81/66/397508166.db2.gz SCOWSOXZBMDBGG-LLVKDONJSA-N -1 1 324.362 0.888 10 0 DCAEMM C[C@@H](CN(C)C(=O)[C@H]1CCCN1c1nccs1)c1nn[n-]n1 ZINC000124357927 158240848 /nfs/dbraw/zinc/24/08/48/158240848.db2.gz YFTZUUDZCKSLFZ-VHSXEESVSA-N -1 1 321.410 0.887 10 0 DCAEMM Cc1ccc2c([O-])c(C(=O)N[C@@H]3CCc4ncnn4C3)cnc2n1 ZINC000112725432 415716254 /nfs/dbraw/zinc/71/62/54/415716254.db2.gz VQIZBVRBFNEBSB-SNVBAGLBSA-N -1 1 324.344 0.980 10 0 DCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H]1CCc3ncnn3C1)c2=O ZINC000112725432 415716258 /nfs/dbraw/zinc/71/62/58/415716258.db2.gz VQIZBVRBFNEBSB-SNVBAGLBSA-N -1 1 324.344 0.980 10 0 DCAEMM Cc1onc(-c2ccccn2)c1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000357074218 416030104 /nfs/dbraw/zinc/03/01/04/416030104.db2.gz JAMQZXIXSUNVNA-UHFFFAOYSA-N -1 1 311.305 0.977 10 0 DCAEMM COC1(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)CCCCC1 ZINC000361482383 416440837 /nfs/dbraw/zinc/44/08/37/416440837.db2.gz XIEXCDUNPKJHJO-UHFFFAOYSA-N -1 1 302.356 0.496 10 0 DCAEMM COC1(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)CCCCC1 ZINC000361482383 416440838 /nfs/dbraw/zinc/44/08/38/416440838.db2.gz XIEXCDUNPKJHJO-UHFFFAOYSA-N -1 1 302.356 0.496 10 0 DCAEMM CS(=O)(=O)c1nnc(NC(=O)c2c(F)cccc2F)[n-]1 ZINC000438932082 416604891 /nfs/dbraw/zinc/60/48/91/416604891.db2.gz BCWKYOCQNUNXLT-UHFFFAOYSA-N -1 1 302.262 0.739 10 0 DCAEMM CS(=O)(=O)c1nc(NC(=O)c2c(F)cccc2F)n[n-]1 ZINC000438932082 416604896 /nfs/dbraw/zinc/60/48/96/416604896.db2.gz BCWKYOCQNUNXLT-UHFFFAOYSA-N -1 1 302.262 0.739 10 0 DCAEMM C[C@@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)N1CCCCCC1 ZINC000439144364 416608334 /nfs/dbraw/zinc/60/83/34/416608334.db2.gz BFSFXEZTIIPWNZ-VIFPVBQESA-N -1 1 315.399 0.411 10 0 DCAEMM C[C@@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)N1CCCCCC1 ZINC000439144364 416608337 /nfs/dbraw/zinc/60/83/37/416608337.db2.gz BFSFXEZTIIPWNZ-VIFPVBQESA-N -1 1 315.399 0.411 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)c1cnnn1-c1cccc(F)c1 ZINC000447589988 417007845 /nfs/dbraw/zinc/00/78/45/417007845.db2.gz ZNFDELYCHLQYST-UHFFFAOYSA-N -1 1 314.284 0.339 10 0 DCAEMM CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000632843880 417280687 /nfs/dbraw/zinc/28/06/87/417280687.db2.gz YUIDBXYFYXEGRQ-MNOVXSKESA-N -1 1 308.338 0.492 10 0 DCAEMM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)c1[nH]nc2c1CCCC2 ZINC000180239726 665428156 /nfs/dbraw/zinc/42/81/56/665428156.db2.gz NRLWXCWJXHMROW-SECBINFHSA-N -1 1 313.379 0.527 10 0 DCAEMM O=C(CCC(=O)N1CCOc2ccccc21)NCc1nn[n-]n1 ZINC000732157724 664906600 /nfs/dbraw/zinc/90/66/00/664906600.db2.gz FMCJHOFFZVSIFW-UHFFFAOYSA-N -1 1 316.321 0.022 10 0 DCAEMM CC(=O)c1cnc(NC(=O)CCn2cc[n-]c(=O)c2=O)s1 ZINC000736153475 667110673 /nfs/dbraw/zinc/11/06/73/667110673.db2.gz PYZXZENIXAWOCP-UHFFFAOYSA-N -1 1 308.319 0.225 10 0 DCAEMM C[C@H](O)[C@H](O)CNC(=O)c1cc(Br)ccc1[O-] ZINC000717385400 667743975 /nfs/dbraw/zinc/74/39/75/667743975.db2.gz MNUQCVXRPSNKHU-QUBYGPBYSA-N -1 1 304.140 0.626 10 0 DCAEMM Nc1cc(Br)c(F)cc1C(=O)NCc1nn[n-]n1 ZINC000302558597 1158034731 /nfs/dbraw/zinc/03/47/31/1158034731.db2.gz XORITUBDLKOTPE-UHFFFAOYSA-N -1 1 315.106 0.614 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)c1cc(OCC(F)F)ccn1 ZINC000357081781 239022440 /nfs/dbraw/zinc/02/24/40/239022440.db2.gz VSABPBKXYKHESB-UHFFFAOYSA-N -1 1 310.264 0.658 10 0 DCAEMM CC[C@H]1C(=O)NCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000106504397 194219766 /nfs/dbraw/zinc/21/97/66/194219766.db2.gz NIUPKLBLRCNXCF-NSHDSACASA-N -1 1 300.318 0.274 10 0 DCAEMM CC(C)OC(=O)c1ccc(CS(=O)(=O)c2nc(N)n[n-]2)cc1 ZINC000008015925 395683841 /nfs/dbraw/zinc/68/38/41/395683841.db2.gz VPPUGOUKSRNIPK-UHFFFAOYSA-N -1 1 324.362 0.926 10 0 DCAEMM CC(C)OC(=O)c1ccc(CS(=O)(=O)c2n[n-]c(N)n2)cc1 ZINC000008015925 395683842 /nfs/dbraw/zinc/68/38/42/395683842.db2.gz VPPUGOUKSRNIPK-UHFFFAOYSA-N -1 1 324.362 0.926 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2O)c1Cl ZINC000085985527 395702694 /nfs/dbraw/zinc/70/26/94/395702694.db2.gz OCUDNQQPZAPZCB-IUCAKERBSA-N -1 1 307.803 0.903 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)[C@@H](O)C2)o1 ZINC000089427137 395711589 /nfs/dbraw/zinc/71/15/89/395711589.db2.gz PVHRIYJOYLVARD-IUCAKERBSA-N -1 1 302.352 0.031 10 0 DCAEMM Cc1[n-][nH]c(=O)c1CC(=O)N1CC[C@@]2(C1)CCCN(C)C2=O ZINC000067847359 396036458 /nfs/dbraw/zinc/03/64/58/396036458.db2.gz SUQWSGYSYKGWJY-OAHLLOKOSA-N -1 1 306.366 0.437 10 0 DCAEMM O=C(NCCCO[C@@H]1CCOC1)c1nc2ccccc2c(=O)[n-]1 ZINC000134178781 158324534 /nfs/dbraw/zinc/32/45/34/158324534.db2.gz JECMXGNGODXAQS-LLVKDONJSA-N -1 1 317.345 0.849 10 0 DCAEMM Cc1ccc([C@@]2(C)NC(=O)N(Cc3nc(=O)n(C)[n-]3)C2=O)cc1 ZINC000329315524 159082558 /nfs/dbraw/zinc/08/25/58/159082558.db2.gz BAMDJRLWKMVORD-OAHLLOKOSA-N -1 1 315.333 0.588 10 0 DCAEMM Cc1cnc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c([O-])c1 ZINC000408229689 160065026 /nfs/dbraw/zinc/06/50/26/160065026.db2.gz VSIWSXQCRWCOML-ZDUSSCGKSA-N -1 1 319.361 0.559 10 0 DCAEMM O=C(Cc1nn[n-]n1)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000408496201 160119723 /nfs/dbraw/zinc/11/97/23/160119723.db2.gz GMSYDAVBUGQEAR-UHFFFAOYSA-N -1 1 322.756 0.871 10 0 DCAEMM C[C@H]1C(=O)CC[C@H]1CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000359372384 416344190 /nfs/dbraw/zinc/34/41/90/416344190.db2.gz RYFXRARKVZSFMS-RQJHMYQMSA-N -1 1 300.340 0.152 10 0 DCAEMM C[C@H]1C(=O)CC[C@H]1CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000359372384 416344191 /nfs/dbraw/zinc/34/41/91/416344191.db2.gz RYFXRARKVZSFMS-RQJHMYQMSA-N -1 1 300.340 0.152 10 0 DCAEMM CC(=O)Nc1ccc(C(=O)NC2(c3nn[n-]n3)CC2)cc1F ZINC000434280247 416468832 /nfs/dbraw/zinc/46/88/32/416468832.db2.gz LXAMBTHAFRACPD-UHFFFAOYSA-N -1 1 304.285 0.716 10 0 DCAEMM CCn1cc(C(=O)C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cn1 ZINC000537123598 416552954 /nfs/dbraw/zinc/55/29/54/416552954.db2.gz YQNPKLSACJQKSE-SECBINFHSA-N -1 1 303.326 0.005 10 0 DCAEMM CC(C)(C)c1cc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)no1 ZINC000439155270 416608831 /nfs/dbraw/zinc/60/88/31/416608831.db2.gz TWXIBRAAYPJVDD-UHFFFAOYSA-N -1 1 313.339 0.746 10 0 DCAEMM CC(C)(C)c1cc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)no1 ZINC000439155270 416608835 /nfs/dbraw/zinc/60/88/35/416608835.db2.gz TWXIBRAAYPJVDD-UHFFFAOYSA-N -1 1 313.339 0.746 10 0 DCAEMM O=C(C1CCC(F)(F)CC1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000368579186 416671448 /nfs/dbraw/zinc/67/14/48/416671448.db2.gz BPZRQLRBVSIPNU-SECBINFHSA-N -1 1 301.297 0.925 10 0 DCAEMM CCCN(CCC)S(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000037420121 337363792 /nfs/dbraw/zinc/36/37/92/337363792.db2.gz OXOGHZGSPDEBPB-NSHDSACASA-N -1 1 318.399 0.362 10 0 DCAEMM NS(=O)(=O)c1cccc(-c2ccccn2)c1-c1nnn[n-]1 ZINC000584596969 337374303 /nfs/dbraw/zinc/37/43/03/337374303.db2.gz REVHKONLSLUULI-UHFFFAOYSA-N -1 1 302.319 0.576 10 0 DCAEMM NS(=O)(=O)c1cccc(-c2ccccn2)c1-c1nn[n-]n1 ZINC000584596969 337374304 /nfs/dbraw/zinc/37/43/04/337374304.db2.gz REVHKONLSLUULI-UHFFFAOYSA-N -1 1 302.319 0.576 10 0 DCAEMM O=S(=O)([N-][C@@H]1CNOC1)c1sccc1Br ZINC000722486110 661271953 /nfs/dbraw/zinc/27/19/53/661271953.db2.gz LHTUKCQMAOWHME-RXMQYKEDSA-N -1 1 313.198 0.692 10 0 DCAEMM C/C(=C/C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1)C1CC1 ZINC000886096905 667731877 /nfs/dbraw/zinc/73/18/77/667731877.db2.gz OBELPBRGIDRZKE-DMIOIOJGSA-N -1 1 308.378 0.731 10 0 DCAEMM COc1cc(=NS(=O)(=O)c2cnc(Cl)c(F)c2)[n-]n1C ZINC000380831887 685238109 /nfs/dbraw/zinc/23/81/09/685238109.db2.gz TZAVAZFGNWNIGJ-UHFFFAOYSA-N -1 1 320.733 0.839 10 0 DCAEMM O=C([O-])CN1CCCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000061145418 184162834 /nfs/dbraw/zinc/16/28/34/184162834.db2.gz PRSRHYANRVJJTH-UHFFFAOYSA-N -1 1 316.354 0.607 10 0 DCAEMM O=C(Nc1ccc2c(c1)C(=O)NC2=O)N1CC[NH+](C2CC2)CC1 ZINC000127168945 395915187 /nfs/dbraw/zinc/91/51/87/395915187.db2.gz NUHMXMJOXWWPTD-UHFFFAOYSA-N -1 1 314.345 0.882 10 0 DCAEMM CN1C[C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)CCC1=O ZINC000121260258 395883894 /nfs/dbraw/zinc/88/38/94/395883894.db2.gz ZTCXPLGVJPDUMS-SECBINFHSA-N -1 1 300.318 0.274 10 0 DCAEMM C[C@@H]1CN(C(=O)c2c(F)ccc([O-])c2F)CCS1(=O)=O ZINC000280959667 396232204 /nfs/dbraw/zinc/23/22/04/396232204.db2.gz JNPOFPZAKJYXMM-SSDOTTSWSA-N -1 1 305.302 0.930 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)[C@@H](OC)C2)o1 ZINC000187890018 396375925 /nfs/dbraw/zinc/37/59/25/396375925.db2.gz LYETWBNDSVGGEX-KOLCDFICSA-N -1 1 316.379 0.685 10 0 DCAEMM COc1cccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1F ZINC000372345670 396509732 /nfs/dbraw/zinc/50/97/32/396509732.db2.gz HXCDDJWCVZCZGX-JTQLQIEISA-N -1 1 307.285 0.561 10 0 DCAEMM Cn1[n-]c(CN2C(=O)N[C@@](C)(c3cccs3)C2=O)nc1=O ZINC000329792740 159120365 /nfs/dbraw/zinc/12/03/65/159120365.db2.gz VGKAUXUUMVAQOJ-LBPRGKRZSA-N -1 1 307.335 0.342 10 0 DCAEMM CC(C)(C)c1[nH]ncc1C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000408135449 160045152 /nfs/dbraw/zinc/04/51/52/160045152.db2.gz YICIWNVQFOTXRS-MRVPVSSYSA-N -1 1 301.368 0.556 10 0 DCAEMM O=C(C[C@@H]1CCCCC(=O)N1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000408464826 160114211 /nfs/dbraw/zinc/11/42/11/160114211.db2.gz FWTMKALZNHHWEI-QWRGUYRKSA-N -1 1 322.365 0.930 10 0 DCAEMM COc1ccc(OCC(=O)NC2(c3nn[n-]n3)CC2)cc1C ZINC000357049264 416026580 /nfs/dbraw/zinc/02/65/80/416026580.db2.gz NGGFQLWILNXIGZ-UHFFFAOYSA-N -1 1 303.322 0.701 10 0 DCAEMM Cc1cccc(C(=O)N[C@H](C)C(=O)NC2(c3nn[n-]n3)CC2)c1 ZINC000357061252 416026821 /nfs/dbraw/zinc/02/68/21/416026821.db2.gz UYQHYMOIASIXHY-SNVBAGLBSA-N -1 1 314.349 0.432 10 0 DCAEMM CCC[C@H](NC(=O)CNC(=O)c1ccccc1C)c1nn[n-]n1 ZINC000177652807 416149351 /nfs/dbraw/zinc/14/93/51/416149351.db2.gz MFDGHLBOLWZVTD-LBPRGKRZSA-N -1 1 316.365 0.896 10 0 DCAEMM CO[C@@](C)(C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)c1ccccc1 ZINC000361482001 416440525 /nfs/dbraw/zinc/44/05/25/416440525.db2.gz SXDZXEOJXYIRIP-CYBMUJFWSA-N -1 1 324.362 0.709 10 0 DCAEMM CO[C@@](C)(C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)c1ccccc1 ZINC000361482001 416440526 /nfs/dbraw/zinc/44/05/26/416440526.db2.gz SXDZXEOJXYIRIP-CYBMUJFWSA-N -1 1 324.362 0.709 10 0 DCAEMM Cc1[nH]nc2ncc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)cc12 ZINC000557481502 416735003 /nfs/dbraw/zinc/73/50/03/416735003.db2.gz NCHXFVAEGVVCAF-VIFPVBQESA-N -1 1 312.337 0.799 10 0 DCAEMM O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1ncccc1[O-] ZINC000370057617 416875763 /nfs/dbraw/zinc/87/57/63/416875763.db2.gz YODBYUIQNPSXDA-NSHDSACASA-N -1 1 305.334 0.297 10 0 DCAEMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000632843884 417281377 /nfs/dbraw/zinc/28/13/77/417281377.db2.gz YUIDBXYFYXEGRQ-WDEREUQCSA-N -1 1 308.338 0.492 10 0 DCAEMM COC(=O)[C@@]1(C)CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000177064264 277377956 /nfs/dbraw/zinc/37/79/56/277377956.db2.gz TUOYTZQRZRMCOS-INIZCTEOSA-N -1 1 315.329 0.948 10 0 DCAEMM O=c1nc(Cn2cc(CNC3CC3)nn2)[n-]c2ccsc21 ZINC000090297670 545715409 /nfs/dbraw/zinc/71/54/09/545715409.db2.gz OLOPEMDVWJCDDE-UHFFFAOYSA-N -1 1 302.363 0.876 10 0 DCAEMM CC(=O)N1CC[C@H]([N-]S(=O)(=O)c2nc(C)c(C)s2)C1 ZINC000333213967 546074612 /nfs/dbraw/zinc/07/46/12/546074612.db2.gz CBTLLRDSDDTMFC-JTQLQIEISA-N -1 1 303.409 0.659 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-]C[C@H]2C[C@@H]3COC[C@@H]3O2)c1Cl ZINC000724549202 658450623 /nfs/dbraw/zinc/45/06/23/658450623.db2.gz YPAPODFUZKOUJG-HLTSFMKQSA-N -1 1 321.786 0.156 10 0 DCAEMM O=C(CN1CCCC[C@H](O)C1=O)Nc1cc([O-])c(F)cc1F ZINC000909987908 663830471 /nfs/dbraw/zinc/83/04/71/663830471.db2.gz NUODVPPTIRKZDH-NSHDSACASA-N -1 1 314.288 0.982 10 0 DCAEMM C[C@@H](CC[N-]S(=O)(=O)c1ncn(C)c1Cl)[S@](C)=O ZINC000123972930 667871465 /nfs/dbraw/zinc/87/14/65/667871465.db2.gz JIWLGQCVNZNDDH-BWKAKNAASA-N -1 1 313.832 0.509 10 0 DCAEMM Cn1nc(C(=O)[O-])cc1CN[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C ZINC000757179953 670358416 /nfs/dbraw/zinc/35/84/16/670358416.db2.gz PELWIBVWRQQVTJ-ZJUUUORDSA-N -1 1 310.354 0.874 10 0 DCAEMM O=C(NCc1nn[n-]n1)c1cc(Br)cnc1F ZINC000700916126 949697347 /nfs/dbraw/zinc/69/73/47/949697347.db2.gz RXUOVUHZASBKLI-UHFFFAOYSA-N -1 1 301.079 0.426 10 0 DCAEMM O=C([O-])[C@H]1Cc2nc[nH]c2CN1S(=O)(=O)c1cccnc1 ZINC000092778628 304205571 /nfs/dbraw/zinc/20/55/71/304205571.db2.gz DWCNDKNEEREVBH-LLVKDONJSA-N -1 1 308.319 0.005 10 0 DCAEMM Cc1ccc2c([O-])c(C(=O)N3CCN(C)C(=O)C3)cnc2n1 ZINC000120352507 395881688 /nfs/dbraw/zinc/88/16/88/395881688.db2.gz XDJRDMMYUXPZPZ-UHFFFAOYSA-N -1 1 300.318 0.558 10 0 DCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCN(C)C(=O)C1)c2=O ZINC000120352507 395881696 /nfs/dbraw/zinc/88/16/96/395881696.db2.gz 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/nfs/dbraw/zinc/30/88/51/159308851.db2.gz GTKMBQQFKPWAGH-QMMMGPOBSA-N -1 1 301.297 0.456 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)co1 ZINC000408185940 160055555 /nfs/dbraw/zinc/05/55/55/160055555.db2.gz FQZMTRWNXLGGGA-LSJOCFKGSA-N -1 1 314.363 0.031 10 0 DCAEMM Cc1cnc(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c([O-])c1 ZINC000408365167 160092942 /nfs/dbraw/zinc/09/29/42/160092942.db2.gz HDCMFODEHINPLJ-SNVBAGLBSA-N -1 1 313.379 0.249 10 0 DCAEMM NC(=O)[C@@H]1CCC[C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000172332566 416044986 /nfs/dbraw/zinc/04/49/86/416044986.db2.gz HMGKJNLCLXEGRX-ZJUUUORDSA-N -1 1 314.345 0.697 10 0 DCAEMM CS(=O)(=O)c1nc(NC(=O)c2n[nH]c3c2CCCCC3)n[n-]1 ZINC000357006180 416019085 /nfs/dbraw/zinc/01/90/85/416019085.db2.gz VPXDOEWZVIWGDK-UHFFFAOYSA-N -1 1 324.366 0.453 10 0 DCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2n[nH]c3c2CCCCC3)n1 ZINC000357006180 416019089 /nfs/dbraw/zinc/01/90/89/416019089.db2.gz VPXDOEWZVIWGDK-UHFFFAOYSA-N -1 1 324.366 0.453 10 0 DCAEMM CC(C)(C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)C1CCOCC1 ZINC000359368515 416343758 /nfs/dbraw/zinc/34/37/58/416343758.db2.gz GMBJPQOBDYKUMI-UHFFFAOYSA-N -1 1 316.383 0.600 10 0 DCAEMM CC(C)(C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)C1CCOCC1 ZINC000359368515 416343759 /nfs/dbraw/zinc/34/37/59/416343759.db2.gz GMBJPQOBDYKUMI-UHFFFAOYSA-N -1 1 316.383 0.600 10 0 DCAEMM C[C@H](OCCc1ccccc1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000450963573 417285464 /nfs/dbraw/zinc/28/54/64/417285464.db2.gz SCKKNKFGFHMQJL-NSHDSACASA-N -1 1 301.350 0.953 10 0 DCAEMM C[C@@H]1CCCN1S(=O)(=O)[N-]c1ccn(CC(=O)N(C)C)n1 ZINC000471942848 272033813 /nfs/dbraw/zinc/03/38/13/272033813.db2.gz UTLLMRSVTJPEDI-SNVBAGLBSA-N -1 1 315.399 0.112 10 0 DCAEMM NC(=O)NCCNC(=O)c1ccc(Br)c([O-])c1 ZINC000227030801 664524780 /nfs/dbraw/zinc/52/47/80/664524780.db2.gz ZXNAUFOXXCCANN-UHFFFAOYSA-N -1 1 302.128 0.553 10 0 DCAEMM CS(=O)(=O)c1nc(NC(=O)c2csc3cncn32)n[n-]1 ZINC000362475164 666776912 /nfs/dbraw/zinc/77/69/12/666776912.db2.gz XKDRFWOEVHZIBE-UHFFFAOYSA-N -1 1 312.336 0.170 10 0 DCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2csc3cncn32)n1 ZINC000362475164 666776914 /nfs/dbraw/zinc/77/69/14/666776914.db2.gz XKDRFWOEVHZIBE-UHFFFAOYSA-N -1 1 312.336 0.170 10 0 DCAEMM C[C@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1F ZINC000703178616 667064745 /nfs/dbraw/zinc/06/47/45/667064745.db2.gz KLUMZTSDPLAFSN-RNFRBKRXSA-N -1 1 321.761 0.820 10 0 DCAEMM O=C([O-])[C@@]1(N2CCN(c3ccnc(C4CC4)n3)CC2)CCOC1 ZINC000886094763 667731399 /nfs/dbraw/zinc/73/13/99/667731399.db2.gz DPKDIKWCFUWDBP-MRXNPFEDSA-N -1 1 318.377 0.720 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(N)=O)C2)c1Cl ZINC000172612264 685142677 /nfs/dbraw/zinc/14/26/77/685142677.db2.gz XMDHOFCYDIBOTB-SFYZADRCSA-N -1 1 320.802 0.396 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(=O)[C@H](C)C2)co1 ZINC000275225012 212207655 /nfs/dbraw/zinc/20/76/55/212207655.db2.gz IPXODAKJUJGFPC-MRVPVSSYSA-N -1 1 300.336 0.239 10 0 DCAEMM O=C([O-])[C@H]1Cc2nc[nH]c2CN1S(=O)(=O)c1ccsc1 ZINC000285259013 304205721 /nfs/dbraw/zinc/20/57/21/304205721.db2.gz VEMPFLOFSQJMAJ-SNVBAGLBSA-N -1 1 313.360 0.671 10 0 DCAEMM O=C(NCc1nncn1C1CC1)c1nc2ccccc2c(=O)[n-]1 ZINC000109846925 194293227 /nfs/dbraw/zinc/29/32/27/194293227.db2.gz IWDYFHUKGAHYRP-UHFFFAOYSA-N -1 1 310.317 0.780 10 0 DCAEMM CC(=O)N1C[C@H]2CN(Cc3nccn3C)CCC[C@@]2(C(=O)[O-])C1 ZINC000248108632 257109313 /nfs/dbraw/zinc/10/93/13/257109313.db2.gz GPIYNBPCLREWED-CZUORRHYSA-N -1 1 320.393 0.565 10 0 DCAEMM Cc1cnn(C[C@@H]2CN(C(=O)c3cncc([O-])c3)CCO2)c1 ZINC000171845658 396125922 /nfs/dbraw/zinc/12/59/22/396125922.db2.gz GRCWCDCTQJQFFP-AWEZNQCLSA-N -1 1 302.334 0.833 10 0 DCAEMM COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cncc([O-])c1 ZINC000178046349 396188521 /nfs/dbraw/zinc/18/85/21/396188521.db2.gz KJCITQPRSHYSAR-NSHDSACASA-N -1 1 303.322 0.790 10 0 DCAEMM COCCCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccccc1F ZINC000610702102 396753247 /nfs/dbraw/zinc/75/32/47/396753247.db2.gz GYWCVQAAYBLWTQ-LBPRGKRZSA-N -1 1 319.354 0.996 10 0 DCAEMM CC(=O)N1CCC[C@H](C(=O)NC2(c3nn[n-]n3)CCCC2)C1 ZINC000605531820 397667297 /nfs/dbraw/zinc/66/72/97/397667297.db2.gz JXNLSMLSLOBYBI-NSHDSACASA-N -1 1 306.370 0.344 10 0 DCAEMM Cc1cnc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c([O-])c1 ZINC000408223370 160063155 /nfs/dbraw/zinc/06/31/55/160063155.db2.gz ISTJBYURFWWRTA-STQMWFEESA-N -1 1 305.378 0.888 10 0 DCAEMM CCC(=O)N1CC[C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000128071656 286981179 /nfs/dbraw/zinc/98/11/79/286981179.db2.gz JBKMTBYIAIDNIQ-JTQLQIEISA-N -1 1 314.345 0.664 10 0 DCAEMM C[C@]1(NC(=O)c2nc3ccccc3c(=O)[n-]2)CCS(=O)(=O)C1 ZINC000131629551 287001453 /nfs/dbraw/zinc/00/14/53/287001453.db2.gz QMGNEHPCRZFAKY-AWEZNQCLSA-N -1 1 321.358 0.230 10 0 DCAEMM COCCOc1cccc(CC(=O)NC2(c3nn[n-]n3)CC2)c1 ZINC000357080133 287203526 /nfs/dbraw/zinc/20/35/26/287203526.db2.gz SEVCRLMSFKYTRN-UHFFFAOYSA-N -1 1 317.349 0.573 10 0 DCAEMM C[C@](O)(CO)CNC(=O)c1ccc(Br)cc1[O-] ZINC000090287211 415530451 /nfs/dbraw/zinc/53/04/51/415530451.db2.gz YSPKTIPEFRCMKO-LLVKDONJSA-N -1 1 304.140 0.628 10 0 DCAEMM CN1C(=O)C[C@@H](C(=O)Nc2nnn[n-]2)[C@H]1c1ccc(F)cc1 ZINC000135109587 415958474 /nfs/dbraw/zinc/95/84/74/415958474.db2.gz NIRXJZQBTBJEEE-MWLCHTKSSA-N -1 1 304.285 0.497 10 0 DCAEMM CN1C(=O)C[C@@H](C(=O)Nc2nn[n-]n2)[C@H]1c1ccc(F)cc1 ZINC000135109587 415958476 /nfs/dbraw/zinc/95/84/76/415958476.db2.gz NIRXJZQBTBJEEE-MWLCHTKSSA-N -1 1 304.285 0.497 10 0 DCAEMM O=C(COCCOc1ccccc1)NC1(c2nn[n-]n2)CC1 ZINC000357046846 416025669 /nfs/dbraw/zinc/02/56/69/416025669.db2.gz DQPQYFWBAHUJRT-UHFFFAOYSA-N -1 1 303.322 0.401 10 0 DCAEMM C[C@@H](c1noc(C[N-]S(=O)(=O)c2cnn(C)c2)n1)C1CC1 ZINC000357522554 416092226 /nfs/dbraw/zinc/09/22/26/416092226.db2.gz ALEYQORGXSADNN-MRVPVSSYSA-N -1 1 311.367 0.795 10 0 DCAEMM COC[C@@H]1C[C@@H](OC)CN1C(=O)c1cc(F)cc2nn[nH]c21 ZINC000329168027 416154221 /nfs/dbraw/zinc/15/42/21/416154221.db2.gz INERUYSLSNZKDH-VHSXEESVSA-N -1 1 308.313 0.973 10 0 DCAEMM CC(C)n1nnnc1CS(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195168695 416325373 /nfs/dbraw/zinc/32/53/73/416325373.db2.gz LGIILTHXLIYMOH-UHFFFAOYSA-N -1 1 313.387 0.644 10 0 DCAEMM CC(C)n1nnnc1CS(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195168695 416325374 /nfs/dbraw/zinc/32/53/74/416325374.db2.gz LGIILTHXLIYMOH-UHFFFAOYSA-N -1 1 313.387 0.644 10 0 DCAEMM CC(C)n1nnnc1CS(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195168695 416325375 /nfs/dbraw/zinc/32/53/75/416325375.db2.gz LGIILTHXLIYMOH-UHFFFAOYSA-N -1 1 313.387 0.644 10 0 DCAEMM CC(C)(C)OC(=O)CCC(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000434511640 416483071 /nfs/dbraw/zinc/48/30/71/416483071.db2.gz CURFCLZAOBFRKJ-UHFFFAOYSA-N -1 1 318.355 0.269 10 0 DCAEMM CC(C)(C)OC(=O)CCC(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000434511640 416483077 /nfs/dbraw/zinc/48/30/77/416483077.db2.gz CURFCLZAOBFRKJ-UHFFFAOYSA-N -1 1 318.355 0.269 10 0 DCAEMM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)[C@H](C1CC1)N1CCCC1 ZINC000408483876 417164016 /nfs/dbraw/zinc/16/40/16/417164016.db2.gz MUIIKRKWCHRKTG-STQMWFEESA-N -1 1 316.423 0.486 10 0 DCAEMM CNC(=O)[C@@H](C)NC(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC000535722699 287838304 /nfs/dbraw/zinc/83/83/04/287838304.db2.gz YOCKZXGXPGAEHS-MRVPVSSYSA-N -1 1 303.318 0.401 10 0 DCAEMM CC(C)(C)CS(=O)(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)[O-] ZINC000092778612 545724608 /nfs/dbraw/zinc/72/46/08/545724608.db2.gz ZYCJVMNWKOWOJC-JTQLQIEISA-N -1 1 301.368 0.597 10 0 DCAEMM CCS(=O)(=O)CCNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000069224112 665487124 /nfs/dbraw/zinc/48/71/24/665487124.db2.gz XUEYJBLIJOFSID-UHFFFAOYSA-N -1 1 309.347 0.088 10 0 DCAEMM CN1CCOC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)nc1F ZINC000700244891 666702404 /nfs/dbraw/zinc/70/24/04/666702404.db2.gz RLIKATUBUBOVIZ-QMMMGPOBSA-N -1 1 323.777 0.483 10 0 DCAEMM O=C([O-])[C@]1(N2CCN(c3ccnc(C4CC4)n3)CC2)CCOC1 ZINC000886094762 667731410 /nfs/dbraw/zinc/73/14/10/667731410.db2.gz DPKDIKWCFUWDBP-INIZCTEOSA-N -1 1 318.377 0.720 10 0 DCAEMM C/C(=C\C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1)C1CC1 ZINC000886096907 667731531 /nfs/dbraw/zinc/73/15/31/667731531.db2.gz OBELPBRGIDRZKE-TYZQSYOASA-N -1 1 308.378 0.731 10 0 DCAEMM CC(C)(NC(=O)N[C@@H]1CCCN2CCSC[C@H]12)C(=O)[O-] ZINC000720479225 685313533 /nfs/dbraw/zinc/31/35/33/685313533.db2.gz BHLPLJJVXRMIHE-NXEZZACHSA-N -1 1 301.412 0.729 10 0 DCAEMM C[C@@H](NC(N)=O)C(=O)Nc1nc(Br)ccc1[O-] ZINC000189982101 685152810 /nfs/dbraw/zinc/15/28/10/685152810.db2.gz WIHSGMLWGZZEOP-SCSAIBSYSA-N -1 1 303.116 0.545 10 0 DCAEMM CC1(C)CC[C@@H](CNS(=O)(=O)c2cc(C(=O)[O-])no2)O1 ZINC000691908935 976389654 /nfs/dbraw/zinc/38/96/54/976389654.db2.gz JMKBXOXIVCPEOM-ZETCQYMHSA-N -1 1 304.324 0.609 10 0 DCAEMM O=C([O-])[C@H]1CN(C(=O)c2ccccc2-c2ncc[nH]2)CCN1 ZINC000071763943 191027140 /nfs/dbraw/zinc/02/71/40/191027140.db2.gz XGGDLVPNESTBCP-GFCCVEGCSA-N -1 1 300.318 0.575 10 0 DCAEMM O=C([O-])C1(NS(=O)(=O)c2c(F)cccc2F)CCOCC1 ZINC000131790899 304033606 /nfs/dbraw/zinc/03/36/06/304033606.db2.gz CBNYSTVVANEHQE-UHFFFAOYSA-N -1 1 321.301 0.877 10 0 DCAEMM CO[C@@H](C)c1nc(=NC2CCN(S(C)(=O)=O)CC2)s[n-]1 ZINC000400203227 239251352 /nfs/dbraw/zinc/25/13/52/239251352.db2.gz PLBISDMJVQSNNO-QMMMGPOBSA-N -1 1 320.440 0.503 10 0 DCAEMM COCCS(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1C ZINC000042809761 183311347 /nfs/dbraw/zinc/31/13/47/183311347.db2.gz KDABLNWKWOWMIZ-UHFFFAOYSA-N -1 1 308.381 0.031 10 0 DCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000104035745 395777091 /nfs/dbraw/zinc/77/70/91/395777091.db2.gz IJIDFCTUHZTURB-ZWNOBZJWSA-N -1 1 318.377 0.866 10 0 DCAEMM O=S(=O)([N-][C@H]1CCc2ncnn2C1)c1cc(F)ccc1F ZINC000113298841 395829424 /nfs/dbraw/zinc/82/94/24/395829424.db2.gz RFETXZGYBOOLNJ-VIFPVBQESA-N -1 1 314.317 0.850 10 0 DCAEMM CC(C)(C)OC(=O)N=c1[nH]c2c(ncn2CC(=O)[O-])c(=O)[nH]1 ZINC000238091501 395921240 /nfs/dbraw/zinc/92/12/40/395921240.db2.gz CALJQZKJKDPZDN-UHFFFAOYSA-N -1 1 309.282 0.551 10 0 DCAEMM CN(C)C[C@H]1CN(Cc2nc(=O)c3sccc3[n-]2)CCO1 ZINC000107304965 415665282 /nfs/dbraw/zinc/66/52/82/415665282.db2.gz XTQHJYLJWCUVKJ-JTQLQIEISA-N -1 1 308.407 0.747 10 0 DCAEMM Cn1ncc2c1[n-]cc(C(=O)N[C@H]1CCc3n[nH]cc3C1)c2=O ZINC000119252509 415739664 /nfs/dbraw/zinc/73/96/64/415739664.db2.gz LDGONTZEYHPRCZ-VIFPVBQESA-N -1 1 312.333 0.684 10 0 DCAEMM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)[C@H](C1CC1)N1CCCC1 ZINC000126354029 415875120 /nfs/dbraw/zinc/87/51/20/415875120.db2.gz IFLBYFRZRZXWRY-STQMWFEESA-N -1 1 316.423 0.486 10 0 DCAEMM Cc1ccc(CC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1O ZINC000357904342 416150951 /nfs/dbraw/zinc/15/09/51/416150951.db2.gz CLJJTHZWSUWGKK-UHFFFAOYSA-N -1 1 310.335 0.403 10 0 DCAEMM Cc1ccc(CC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1O ZINC000357904342 416150954 /nfs/dbraw/zinc/15/09/54/416150954.db2.gz CLJJTHZWSUWGKK-UHFFFAOYSA-N -1 1 310.335 0.403 10 0 DCAEMM O=C(Cc1ccn(-c2ccccc2)n1)NC1(c2nn[n-]n2)CC1 ZINC000558715446 416790924 /nfs/dbraw/zinc/79/09/24/416790924.db2.gz TVUWRAGQCZSGOI-UHFFFAOYSA-N -1 1 309.333 0.733 10 0 DCAEMM CCOC(=O)[C@H]1CN(C(=O)c2cncc([O-])c2)CC12COC2 ZINC000452264967 417462252 /nfs/dbraw/zinc/46/22/52/417462252.db2.gz PIKQYRQBUXXAHJ-GFCCVEGCSA-N -1 1 306.318 0.439 10 0 DCAEMM C(CCN1CCOCC1)CN=c1[n-]c(C2CCOCC2)no1 ZINC000413063207 262199727 /nfs/dbraw/zinc/19/97/27/262199727.db2.gz SGGKFZTYVMQVTF-UHFFFAOYSA-N -1 1 310.398 0.910 10 0 DCAEMM C[C@H]1CCCN1S(=O)(=O)[N-]c1ccn(CC(=O)N(C)C)n1 ZINC000471942847 272033460 /nfs/dbraw/zinc/03/34/60/272033460.db2.gz UTLLMRSVTJPEDI-JTQLQIEISA-N -1 1 315.399 0.112 10 0 DCAEMM O=C([O-])[C@@]1(N2CCN(c3ncc(Cl)cn3)CC2)CCOC1 ZINC000886095484 667731636 /nfs/dbraw/zinc/73/16/36/667731636.db2.gz XWJATFQAPSHXOB-CYBMUJFWSA-N -1 1 312.757 0.496 10 0 DCAEMM Cn1nc(C(=O)[O-])cc1CNCCONC(=O)OC(C)(C)C ZINC000757179398 670358093 /nfs/dbraw/zinc/35/80/93/670358093.db2.gz FBXJVQPLXQHOQY-UHFFFAOYSA-N -1 1 314.342 0.664 10 0 DCAEMM C[C@H]([N-]S(=O)(=O)c1cccnc1F)C(=O)NC(C)(C)C ZINC000401840732 768878323 /nfs/dbraw/zinc/87/83/23/768878323.db2.gz RAJWPWFWHNHZEJ-QMMMGPOBSA-N -1 1 303.359 0.802 10 0 DCAEMM C[C@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000282652424 217154230 /nfs/dbraw/zinc/15/42/30/217154230.db2.gz UUBDQMHFNLNXIR-GMSGAONNSA-N -1 1 304.318 0.910 10 0 DCAEMM COC(=O)CS(=O)(=O)[N-]c1ccc(Br)cc1N ZINC000042533707 183281602 /nfs/dbraw/zinc/28/16/02/183281602.db2.gz WKDFQNAKLDFHFC-UHFFFAOYSA-N -1 1 323.168 0.946 10 0 DCAEMM O=C([O-])[C@@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccccc1F ZINC000040162408 395732771 /nfs/dbraw/zinc/73/27/71/395732771.db2.gz JREAMVNUZKULQV-SNVBAGLBSA-N -1 1 313.310 0.523 10 0 DCAEMM O=c1cc(NS(=O)(=O)c2ccc(O)c3ncccc23)[n-][nH]1 ZINC000205554295 395834937 /nfs/dbraw/zinc/83/49/37/395834937.db2.gz INSCDVODETXBKJ-UHFFFAOYSA-N -1 1 306.303 0.052 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2[C@@H](C)COC[C@@H]2C)o1 ZINC000265908176 396349268 /nfs/dbraw/zinc/34/92/68/396349268.db2.gz XPKBXHWYFUZXGR-IUCAKERBSA-N -1 1 302.352 0.437 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2cc[nH]n2)co1 ZINC000370607031 397507147 /nfs/dbraw/zinc/50/71/47/397507147.db2.gz SCOWSOXZBMDBGG-NSHDSACASA-N -1 1 324.362 0.888 10 0 DCAEMM CC(C)(C)OC(=O)CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000118750089 158179614 /nfs/dbraw/zinc/17/96/14/158179614.db2.gz YKAJTSMYOOPQFC-UHFFFAOYSA-N -1 1 303.318 0.995 10 0 DCAEMM CCn1cc(S(=O)(=O)N[C@H](C)CN(C)C)cc1C(=O)[O-] ZINC000168640731 158371971 /nfs/dbraw/zinc/37/19/71/158371971.db2.gz QJCJAAVGELLGLH-SECBINFHSA-N -1 1 303.384 0.435 10 0 DCAEMM Cn1[n-]c(CN2CC[C@](O)(Cc3cccc(Cl)c3)C2)nc1=O ZINC000329584335 159104784 /nfs/dbraw/zinc/10/47/84/159104784.db2.gz LXVITRHABKMTCU-HNNXBMFYSA-N -1 1 322.796 0.941 10 0 DCAEMM O=C(C[C@H]1CCCCNC1=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000408066658 160027415 /nfs/dbraw/zinc/02/74/15/160027415.db2.gz AWRYUQIBKRGCOW-GHMZBOCLSA-N -1 1 322.365 0.788 10 0 DCAEMM Cc1ccc2c([O-])c(C(=O)N3CC(=O)N[C@@H](C)C3)cnc2n1 ZINC000408462471 160113492 /nfs/dbraw/zinc/11/34/92/160113492.db2.gz DFCOUIBWKYJNRH-VIFPVBQESA-N -1 1 300.318 0.604 10 0 DCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC(=O)N[C@@H](C)C1)c2=O ZINC000408462471 160113496 /nfs/dbraw/zinc/11/34/96/160113496.db2.gz DFCOUIBWKYJNRH-VIFPVBQESA-N -1 1 300.318 0.604 10 0 DCAEMM Cn1c2cc(O)c(NC(=O)[C@@H]3CCC[N@@H+]3C)cc2n(C)c1=O ZINC000291512217 415832146 /nfs/dbraw/zinc/83/21/46/415832146.db2.gz ISXNJPOGZHXCRW-JTQLQIEISA-N -1 1 304.350 0.615 10 0 DCAEMM COc1ccc2c(c1)C[C@@H](C(=O)NC1(c3nn[n-]n3)CC1)CO2 ZINC000357061999 416026484 /nfs/dbraw/zinc/02/64/84/416026484.db2.gz WUKHMUIYYLJNHJ-SNVBAGLBSA-N -1 1 315.333 0.565 10 0 DCAEMM C[C@H](NC(=O)c1ccccc1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000357051577 416026520 /nfs/dbraw/zinc/02/65/20/416026520.db2.gz JDVYBEJRUSUREV-VIFPVBQESA-N -1 1 300.322 0.124 10 0 DCAEMM CC(C)[C@@H](NC(=O)NC(C)(C)C)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000357062124 416028284 /nfs/dbraw/zinc/02/82/84/416028284.db2.gz VWLOGXLQERGBLW-SECBINFHSA-N -1 1 323.401 0.427 10 0 DCAEMM O=C(C[C@H]1Oc2ccccc2NC1=O)NC1(c2nn[n-]n2)CC1 ZINC000357072732 416029888 /nfs/dbraw/zinc/02/98/88/416029888.db2.gz MRLQGBIIIUKYHJ-SNVBAGLBSA-N -1 1 314.305 0.095 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)c1ccc2c(c1)OCCCO2 ZINC000357071965 416031139 /nfs/dbraw/zinc/03/11/39/416031139.db2.gz GMVJHLZEXWFURV-UHFFFAOYSA-N -1 1 301.306 0.780 10 0 DCAEMM CCC[C@@H](NC(=O)CNC(=O)c1ccccc1C)c1nn[n-]n1 ZINC000177652817 416149642 /nfs/dbraw/zinc/14/96/42/416149642.db2.gz MFDGHLBOLWZVTD-GFCCVEGCSA-N -1 1 316.365 0.896 10 0 DCAEMM COC[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)C[C@H](C)O1 ZINC000190426436 416279223 /nfs/dbraw/zinc/27/92/23/416279223.db2.gz ZCZHABDWGRKEPT-QWRGUYRKSA-N -1 1 317.345 0.799 10 0 DCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)C2=Cc3ccccc3OC2)n1 ZINC000444458249 416843520 /nfs/dbraw/zinc/84/35/20/416843520.db2.gz MCAHCADCTFQWEE-UHFFFAOYSA-N -1 1 320.330 0.623 10 0 DCAEMM CS(=O)(=O)c1nnc(NC(=O)C2=Cc3ccccc3OC2)[n-]1 ZINC000444458249 416843526 /nfs/dbraw/zinc/84/35/26/416843526.db2.gz MCAHCADCTFQWEE-UHFFFAOYSA-N -1 1 320.330 0.623 10 0 DCAEMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCCCC1 ZINC000408413384 417159959 /nfs/dbraw/zinc/15/99/59/417159959.db2.gz GQLKFGKSKMJMHU-QMMMGPOBSA-N -1 1 316.383 0.245 10 0 DCAEMM CO[C@H]1CCC[C@@H](CC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1 ZINC000359374032 261741659 /nfs/dbraw/zinc/74/16/59/261741659.db2.gz VVFFVSADWYFBEG-BDAKNGLRSA-N -1 1 316.383 0.742 10 0 DCAEMM CO[C@H]1CCC[C@@H](CC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC000359374032 261741660 /nfs/dbraw/zinc/74/16/60/261741660.db2.gz VVFFVSADWYFBEG-BDAKNGLRSA-N -1 1 316.383 0.742 10 0 DCAEMM CN1CC[C@@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)CC1=O ZINC000194757177 545933227 /nfs/dbraw/zinc/93/32/27/545933227.db2.gz ZUCASOQGZKYSEN-SECBINFHSA-N -1 1 300.318 0.274 10 0 DCAEMM Cc1ccncc1CN1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC000886071725 667728300 /nfs/dbraw/zinc/72/83/00/667728300.db2.gz AXJHKZBGACDCNO-INIZCTEOSA-N -1 1 305.378 0.751 10 0 DCAEMM Cn1cc(S(=O)(=O)[N-]C(=O)c2[nH]nc3c2CCCC3)cn1 ZINC000194018181 670388100 /nfs/dbraw/zinc/38/81/00/670388100.db2.gz MAIOFAXRARIQDG-UHFFFAOYSA-N -1 1 309.351 0.141 10 0 DCAEMM C[C@H](C(=O)[O-])N(C)C(=O)N[C@H]1CCCN2CCSC[C@@H]12 ZINC000720482234 685313277 /nfs/dbraw/zinc/31/32/77/685313277.db2.gz KAOVKXMMABNUDW-VWYCJHECSA-N -1 1 301.412 0.681 10 0 DCAEMM CC(C)N(CCN(C)C)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000688173720 954624667 /nfs/dbraw/zinc/62/46/67/954624667.db2.gz NHHYKJJQITZAKY-NSHDSACASA-N -1 1 307.416 0.052 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(C3CC3)CC2)o1 ZINC000299357293 530027740 /nfs/dbraw/zinc/02/77/40/530027740.db2.gz ODGFONTWKNZLGV-UHFFFAOYSA-N -1 1 313.379 0.108 10 0 DCAEMM CCc1nc([C@H]2CN(C(=O)c3cncc(O)c3)CCO2)n[nH]1 ZINC000173756713 198248521 /nfs/dbraw/zinc/24/85/21/198248521.db2.gz NBSBFYAPKYEOPH-LLVKDONJSA-N -1 1 303.322 0.681 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC(C)(C)O2)o1 ZINC000187344992 200099319 /nfs/dbraw/zinc/09/93/19/200099319.db2.gz WZCBKICBCLAXOA-VIFPVBQESA-N -1 1 316.379 0.875 10 0 DCAEMM Cc1nn(C)c2nc(C)c(C(=O)NC3(c4nn[n-]n4)CC3)cc12 ZINC000357081868 239023592 /nfs/dbraw/zinc/02/35/92/239023592.db2.gz WRSDVHCFVNNGCY-UHFFFAOYSA-N -1 1 312.337 0.517 10 0 DCAEMM C[C@H]1NC(=O)CC[C@@H]1[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000282709560 217193571 /nfs/dbraw/zinc/19/35/71/217193571.db2.gz YLLVWEVCNMTDNC-RQJHMYQMSA-N -1 1 306.775 0.019 10 0 DCAEMM O=C(CN1CC(=O)NC1=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000111538951 395808977 /nfs/dbraw/zinc/80/89/77/395808977.db2.gz BUYPZHRNTZGNGI-LLVKDONJSA-N -1 1 320.349 0.085 10 0 DCAEMM CCC[C@@H](NC(=O)c1ccc2nnn(C)c2c1)c1nn[n-]n1 ZINC000183068676 396260115 /nfs/dbraw/zinc/26/01/15/396260115.db2.gz MDCANCVZMQMBBE-SNVBAGLBSA-N -1 1 300.326 0.753 10 0 DCAEMM O=S(=O)([N-]CCCn1ccnn1)c1cccc(F)c1F ZINC000183165820 396264033 /nfs/dbraw/zinc/26/40/33/396264033.db2.gz PZXDKLHWCIINFQ-UHFFFAOYSA-N -1 1 302.306 0.925 10 0 DCAEMM O=C1CC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2F)CCN1 ZINC000396697982 397311070 /nfs/dbraw/zinc/31/10/70/397311070.db2.gz HFMBIVFRESUFOK-SECBINFHSA-N -1 1 304.318 0.912 10 0 DCAEMM C[C@H](CN(C)C(=O)[C@H]1CCCN1c1nccs1)c1nn[n-]n1 ZINC000124358159 158241320 /nfs/dbraw/zinc/24/13/20/158241320.db2.gz YFTZUUDZCKSLFZ-NXEZZACHSA-N -1 1 321.410 0.887 10 0 DCAEMM Cn1cccc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1=O ZINC000408067164 160027591 /nfs/dbraw/zinc/02/75/91/160027591.db2.gz JCRJKNNWUUPXCY-SECBINFHSA-N -1 1 304.306 0.494 10 0 DCAEMM CC(=O)N1CCN(C(=O)c2cnc3nc(C)ccc3c2[O-])CC1 ZINC000408180754 160054630 /nfs/dbraw/zinc/05/46/30/160054630.db2.gz VRGJGLSRXHPBQO-UHFFFAOYSA-N -1 1 314.345 0.948 10 0 DCAEMM CC(=O)N1CCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)CC1 ZINC000408180754 160054631 /nfs/dbraw/zinc/05/46/31/160054631.db2.gz VRGJGLSRXHPBQO-UHFFFAOYSA-N -1 1 314.345 0.948 10 0 DCAEMM Cc1cnc(C(=O)N2CCCN(S(C)(=O)=O)CC2)c([O-])c1 ZINC000408229411 160064497 /nfs/dbraw/zinc/06/44/97/160064497.db2.gz RJDURBFZZSLCLN-UHFFFAOYSA-N -1 1 313.379 0.203 10 0 DCAEMM Cc1n[nH]c(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)c1C ZINC000408444775 160109244 /nfs/dbraw/zinc/10/92/44/160109244.db2.gz WBWBZDOMFZUICH-JTQLQIEISA-N -1 1 301.368 0.655 10 0 DCAEMM COC[C@@H]1C[C@@H](OC)CN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000343510646 415623686 /nfs/dbraw/zinc/62/36/86/415623686.db2.gz 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665593722 /nfs/dbraw/zinc/59/37/22/665593722.db2.gz LCNBJTJGPMACPX-JTQLQIEISA-N -1 1 314.363 0.755 10 0 DCAEMM COc1cccc(CN2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC000886071945 667728294 /nfs/dbraw/zinc/72/82/94/667728294.db2.gz QXPZWZVLYIKWQN-INIZCTEOSA-N -1 1 321.377 0.452 10 0 DCAEMM O=C([O-])c1cc(S(=O)(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)on1 ZINC000693408991 976621729 /nfs/dbraw/zinc/62/17/29/976621729.db2.gz KNGAIOXYEGIMBA-FPFOFBBKSA-N -1 1 308.262 0.695 10 0 DCAEMM C[C@@H]1NC(=O)CC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000282652429 217154460 /nfs/dbraw/zinc/15/44/60/217154460.db2.gz UUBDQMHFNLNXIR-XVKPBYJWSA-N -1 1 304.318 0.910 10 0 DCAEMM CC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000560606759 396621467 /nfs/dbraw/zinc/62/14/67/396621467.db2.gz TXCSROAUVJOEIG-VXGBXAGGSA-N -1 1 306.370 0.307 10 0 DCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(NC3CC3)nc2)n1 ZINC000586757167 396663198 /nfs/dbraw/zinc/66/31/98/396663198.db2.gz ZLCHXNYGTHRXAL-UHFFFAOYSA-N -1 1 322.350 0.430 10 0 DCAEMM CS(=O)(=O)c1nnc(NC(=O)c2ccc(NC3CC3)nc2)[n-]1 ZINC000586757167 396663201 /nfs/dbraw/zinc/66/32/01/396663201.db2.gz ZLCHXNYGTHRXAL-UHFFFAOYSA-N -1 1 322.350 0.430 10 0 DCAEMM COC(=O)c1ccccc1CC(=O)NC1(c2nn[n-]n2)CC1 ZINC000572675197 397083292 /nfs/dbraw/zinc/08/32/92/397083292.db2.gz SUWYVTIINOQYGY-UHFFFAOYSA-N -1 1 301.306 0.334 10 0 DCAEMM Cc1cccc(C(C)C)c1NC(=O)C(=O)NCc1nn[n-]n1 ZINC000606117928 397677691 /nfs/dbraw/zinc/67/76/91/397677691.db2.gz XHTURNXCOLYRBC-UHFFFAOYSA-N -1 1 302.338 0.886 10 0 DCAEMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000084796720 158088966 /nfs/dbraw/zinc/08/89/66/158088966.db2.gz OJRXNBWJUNFGBD-ZDUSSCGKSA-N -1 1 309.709 0.470 10 0 DCAEMM O=C(NCCCO[C@H]1CCOC1)c1nc2ccccc2c(=O)[n-]1 ZINC000134178977 158324315 /nfs/dbraw/zinc/32/43/15/158324315.db2.gz JECMXGNGODXAQS-NSHDSACASA-N -1 1 317.345 0.849 10 0 DCAEMM CCOC(=O)C(C)(C)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000066937885 415369459 /nfs/dbraw/zinc/36/94/59/415369459.db2.gz HFZAJNCMGDAVMQ-UHFFFAOYSA-N -1 1 309.775 0.694 10 0 DCAEMM C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000357042107 416026029 /nfs/dbraw/zinc/02/60/29/416026029.db2.gz GBOSJPAGPUKAPD-KCJUWKMLSA-N -1 1 301.306 0.534 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)c1cccnc1OCC(F)F ZINC000357073621 416029708 /nfs/dbraw/zinc/02/97/08/416029708.db2.gz RPUBFIOIHVVQGP-UHFFFAOYSA-N -1 1 310.264 0.658 10 0 DCAEMM COCCCOc1ccc(C(=O)NC2(c3nn[n-]n3)CC2)cn1 ZINC000357093497 416032962 /nfs/dbraw/zinc/03/29/62/416032962.db2.gz DWDBNSZJHHSJLD-UHFFFAOYSA-N -1 1 318.337 0.429 10 0 DCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2Cc3ccccc3O2)n1 ZINC000439155327 416607940 /nfs/dbraw/zinc/60/79/40/416607940.db2.gz UKMBNXSDZYFGCM-SECBINFHSA-N -1 1 308.319 0.150 10 0 DCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2Cc3ccccc3O2)[n-]1 ZINC000439155327 416607943 /nfs/dbraw/zinc/60/79/43/416607943.db2.gz UKMBNXSDZYFGCM-SECBINFHSA-N -1 1 308.319 0.150 10 0 DCAEMM CC(C)(C)OC(=O)NCCN1CCCO[C@H](c2nn[n-]n2)C1 ZINC000616680106 417092403 /nfs/dbraw/zinc/09/24/03/417092403.db2.gz NCMNCQUIUGQMMN-JTQLQIEISA-N -1 1 312.374 0.488 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000526929994 417192822 /nfs/dbraw/zinc/19/28/22/417192822.db2.gz HMCBPYWTRMNOAJ-SSDOTTSWSA-N -1 1 304.276 0.189 10 0 DCAEMM Cn1nccc1S(=O)(=O)[N-]C(=O)[C@H](C1CC1)N1CCCC1 ZINC000408485484 303068847 /nfs/dbraw/zinc/06/88/47/303068847.db2.gz QKHBQTAMEZHFKF-LBPRGKRZSA-N -1 1 312.395 0.099 10 0 DCAEMM O=C(CCCNC(=O)c1nc2ccccc2c(=O)[n-]1)NC1CC1 ZINC000170961568 333238687 /nfs/dbraw/zinc/23/86/87/333238687.db2.gz HJYXXNFZLDEMNV-UHFFFAOYSA-N -1 1 314.345 0.712 10 0 DCAEMM NS(=O)(=O)c1cccc(-c2ccc(F)nc2)c1-c1nn[n-]n1 ZINC000584597087 337374325 /nfs/dbraw/zinc/37/43/25/337374325.db2.gz YPOXOCQUNAZIHZ-UHFFFAOYSA-N -1 1 320.309 0.715 10 0 DCAEMM Cn1nccc1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000186419412 665517195 /nfs/dbraw/zinc/51/71/95/665517195.db2.gz WYMNPCNSUJZWCF-UHFFFAOYSA-N -1 1 316.364 0.911 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-]CCCn2ccnn2)c1Cl ZINC000126708748 662021613 /nfs/dbraw/zinc/02/16/13/662021613.db2.gz SDLSUKFRDURDEB-UHFFFAOYSA-N -1 1 304.763 0.034 10 0 DCAEMM Cc1csc([C@@H](C)NC(=O)CCn2cc[n-]c(=O)c2=O)n1 ZINC000727858952 662256205 /nfs/dbraw/zinc/25/62/05/662256205.db2.gz LLTYIHFCZREBNY-SECBINFHSA-N -1 1 308.363 0.569 10 0 DCAEMM CCOc1cc(N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)ncn1 ZINC000886094894 667731345 /nfs/dbraw/zinc/73/13/45/667731345.db2.gz GMAHDWYHUKNTMF-OAHLLOKOSA-N -1 1 322.365 0.241 10 0 DCAEMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)[C@H]1C[C@H]1C1CC1 ZINC000130322006 669615546 /nfs/dbraw/zinc/61/55/46/669615546.db2.gz KPIRUMBRZDUONK-RYUDHWBXSA-N -1 1 302.334 0.858 10 0 DCAEMM O=C([O-])CN1CCCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000061145408 304067516 /nfs/dbraw/zinc/06/75/16/304067516.db2.gz OCAZJPHBSHSCOX-UHFFFAOYSA-N -1 1 319.427 0.200 10 0 DCAEMM C[C@@H]1NC(=O)CC[C@@H]1[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000282709552 217192522 /nfs/dbraw/zinc/19/25/22/217192522.db2.gz YLLVWEVCNMTDNC-BQBZGAKWSA-N -1 1 306.775 0.019 10 0 DCAEMM O=C([O-])CN1CCCN(S(=O)(=O)c2ccsc2)CC1 ZINC000556774735 288393347 /nfs/dbraw/zinc/39/33/47/288393347.db2.gz FXWBAGXXOSHMMK-UHFFFAOYSA-N -1 1 304.393 0.529 10 0 DCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC[C@@H]1CCCO1 ZINC000037981798 395729901 /nfs/dbraw/zinc/72/99/01/395729901.db2.gz BFRVXRBWAJFGQT-VIFPVBQESA-N -1 1 317.367 0.434 10 0 DCAEMM Cc1cccc(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000040162643 395733052 /nfs/dbraw/zinc/73/30/52/395733052.db2.gz NKXOJRIHICFBPN-LBPRGKRZSA-N -1 1 309.347 0.692 10 0 DCAEMM CCC[C@@H](NC(=O)c1cnn2ccc(C)nc12)c1nn[n-]n1 ZINC000136718627 395948750 /nfs/dbraw/zinc/94/87/50/395948750.db2.gz VQRXIDJBDQKSKH-SNVBAGLBSA-N -1 1 300.326 0.822 10 0 DCAEMM C[C@H](CN(C)C(=O)[C@@H]1CCCN1c1nccs1)c1nn[n-]n1 ZINC000124357694 158241003 /nfs/dbraw/zinc/24/10/03/158241003.db2.gz YFTZUUDZCKSLFZ-ZJUUUORDSA-N -1 1 321.410 0.887 10 0 DCAEMM CC(C)(C)c1[nH]ncc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000408133754 160044424 /nfs/dbraw/zinc/04/44/24/160044424.db2.gz QNBBHEQEDAHZQJ-VIFPVBQESA-N -1 1 315.395 0.946 10 0 DCAEMM C[C@H](C[N-]S(=O)(=O)CC(F)(F)F)N1CCN(C)CC1 ZINC000408141302 160046185 /nfs/dbraw/zinc/04/61/85/160046185.db2.gz UFDFNLBAWDCEAU-SECBINFHSA-N -1 1 303.350 0.104 10 0 DCAEMM Cc1cnc(C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)c([O-])c1 ZINC000408225641 160064089 /nfs/dbraw/zinc/06/40/89/160064089.db2.gz VTQBUBVJKQKSGF-JTQLQIEISA-N -1 1 313.379 0.202 10 0 DCAEMM Cc1n[nH]c(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)c1C ZINC000408247464 160069455 /nfs/dbraw/zinc/06/94/55/160069455.db2.gz OOJFXSWCGJXFLD-SNVBAGLBSA-N -1 1 301.368 0.513 10 0 DCAEMM Cn1cc(S(=O)(=O)[N-]C(=O)[C@H](C2CC2)N2CCCC2)cn1 ZINC000123752467 415845066 /nfs/dbraw/zinc/84/50/66/415845066.db2.gz PNNGDPMTIJXXMB-LBPRGKRZSA-N -1 1 312.395 0.099 10 0 DCAEMM NC(=O)[C@H]1CCC[C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000172332560 416045804 /nfs/dbraw/zinc/04/58/04/416045804.db2.gz HMGKJNLCLXEGRX-UWVGGRQHSA-N -1 1 314.345 0.697 10 0 DCAEMM Cn1cc(N2CCC[C@H](NC(=O)c3ncccc3[O-])C2)cn1 ZINC000173468726 416058601 /nfs/dbraw/zinc/05/86/01/416058601.db2.gz PTJPBBVOELOVKQ-NSHDSACASA-N -1 1 301.350 0.920 10 0 DCAEMM Cn1cc(N2CCC[C@H](NC(=O)c3cncc([O-])c3)C2)cn1 ZINC000173468468 416059125 /nfs/dbraw/zinc/05/91/25/416059125.db2.gz REICJONWIZXOKH-LBPRGKRZSA-N -1 1 301.350 0.920 10 0 DCAEMM Cn1cnc(-c2ccc(C(=O)NC3(c4nn[n-]n4)CC3)cc2)n1 ZINC000357051605 416026645 /nfs/dbraw/zinc/02/66/45/416026645.db2.gz IQAGAUSUJJFQNV-UHFFFAOYSA-N -1 1 310.321 0.414 10 0 DCAEMM COc1cc(C)c(C(=O)NC2(c3nn[n-]n3)CC2)cc1OC ZINC000357051319 416027540 /nfs/dbraw/zinc/02/75/40/416027540.db2.gz PMCGKFBHDUBRGL-UHFFFAOYSA-N -1 1 303.322 0.944 10 0 DCAEMM COC[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)C[C@H](C)O1 ZINC000190426404 416278863 /nfs/dbraw/zinc/27/88/63/416278863.db2.gz ZCZHABDWGRKEPT-WDEREUQCSA-N -1 1 317.345 0.799 10 0 DCAEMM CC(C)Cn1cc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cn1 ZINC000359492771 416348101 /nfs/dbraw/zinc/34/81/01/416348101.db2.gz ACWXQTZABXTXAE-UHFFFAOYSA-N -1 1 312.355 0.313 10 0 DCAEMM CC(C)Cn1cc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cn1 ZINC000359492771 416348102 /nfs/dbraw/zinc/34/81/02/416348102.db2.gz ACWXQTZABXTXAE-UHFFFAOYSA-N -1 1 312.355 0.313 10 0 DCAEMM CN(C)c1ncccc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000532793588 416457181 /nfs/dbraw/zinc/45/71/81/416457181.db2.gz GUGAEKKNXPXXCG-JTQLQIEISA-N -1 1 301.354 0.681 10 0 DCAEMM CCn1ncc2cc(C(=O)NC3(c4nn[n-]n4)CC3)c(C)nc21 ZINC000442751403 416712610 /nfs/dbraw/zinc/71/26/10/416712610.db2.gz PZEYMMXOBKCZBE-UHFFFAOYSA-N -1 1 312.337 0.692 10 0 DCAEMM O=S(=O)(c1ccccc1)N1CCCO[C@@H](c2nn[n-]n2)C1 ZINC000616657510 417090852 /nfs/dbraw/zinc/09/08/52/417090852.db2.gz CDXAJATTXSQCQV-LLVKDONJSA-N -1 1 309.351 0.352 10 0 DCAEMM COC[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1ccccc1 ZINC000727856854 662256342 /nfs/dbraw/zinc/25/63/42/662256342.db2.gz GTLKMHKOPCQZGB-CYBMUJFWSA-N -1 1 317.345 0.431 10 0 DCAEMM CCn1cc(CN2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)cn1 ZINC000886071732 667728777 /nfs/dbraw/zinc/72/87/77/667728777.db2.gz BTCKOHGENWTPRG-HNNXBMFYSA-N -1 1 308.382 0.264 10 0 DCAEMM CC(C)N(CCN(C)C)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000688146423 976170820 /nfs/dbraw/zinc/17/08/20/976170820.db2.gz DTNQLMMUQIFOMZ-UHFFFAOYSA-N -1 1 304.372 0.069 10 0 DCAEMM C[C@](O)(CNC(=O)c1c([O-])cccc1F)CN1CCOCC1 ZINC000187515361 200122623 /nfs/dbraw/zinc/12/26/23/200122623.db2.gz PJDAYLRRDWXVGC-HNNXBMFYSA-N -1 1 312.341 0.344 10 0 DCAEMM NS(=O)(=O)c1ccc(CNC(=O)c2ncccc2[O-])cc1 ZINC000037760492 395728976 /nfs/dbraw/zinc/72/89/76/395728976.db2.gz MYQHDDGIQMVYGX-UHFFFAOYSA-N -1 1 307.331 0.365 10 0 DCAEMM CO[C@H](C)Cc1nc([O-])c(I)c(=O)[nH]1 ZINC000127849037 395916978 /nfs/dbraw/zinc/91/69/78/395916978.db2.gz XOQSKJHBHGSALF-SCSAIBSYSA-N -1 1 310.091 0.658 10 0 DCAEMM Cn1ncc2c1[n-]cc(C(=O)N[C@@H]1C[C@@H]3OCCC[C@@H]13)c2=O ZINC000249256817 396004692 /nfs/dbraw/zinc/00/46/92/396004692.db2.gz YMVNOKKARJDBKR-AXTRIDKLSA-N -1 1 302.334 0.971 10 0 DCAEMM CCNC(=O)C[N-]S(=O)(=O)C([C@@H]1CCCO1)C(F)(F)F ZINC000170603693 396094981 /nfs/dbraw/zinc/09/49/81/396094981.db2.gz CBUOLBVFAKSKEX-CBAPKCEASA-N -1 1 318.317 0.152 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCS[C@@H](C)C2)o1 ZINC000171571191 396118956 /nfs/dbraw/zinc/11/89/56/396118956.db2.gz QIDLFFPDYGLJJA-QMMMGPOBSA-N -1 1 304.393 0.765 10 0 DCAEMM CCC[C@H](NC(=O)c1ccc2nnn(C)c2c1)c1nn[n-]n1 ZINC000183068661 396260133 /nfs/dbraw/zinc/26/01/33/396260133.db2.gz MDCANCVZMQMBBE-JTQLQIEISA-N -1 1 300.326 0.753 10 0 DCAEMM O=S(=O)([N-]C[C@@]1(O)CCOC1)c1c(F)cccc1Cl ZINC000185875507 396335791 /nfs/dbraw/zinc/33/57/91/396335791.db2.gz JMKOJMRZVSIPNE-NSHDSACASA-N -1 1 309.746 0.909 10 0 DCAEMM CN1CC[C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C1=O ZINC000132753772 158313988 /nfs/dbraw/zinc/31/39/88/158313988.db2.gz KGTWJBADITWFDW-VIFPVBQESA-N -1 1 306.746 0.988 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C)[C@@H]2CO)o1 ZINC000408137565 160045213 /nfs/dbraw/zinc/04/52/13/160045213.db2.gz JQAZUDGQQIHVKE-UWVGGRQHSA-N -1 1 316.379 0.421 10 0 DCAEMM Cc1cc2cn[nH]c2c(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c1 ZINC000408382961 160096660 /nfs/dbraw/zinc/09/66/60/160096660.db2.gz FXXATQQIDBCGSE-SNVBAGLBSA-N -1 1 309.347 0.720 10 0 DCAEMM Cc1ccn2ncc(C(=O)NCCc3n[n-]c(=S)n3C)c2n1 ZINC000067052000 415371298 /nfs/dbraw/zinc/37/12/98/415371298.db2.gz UMNZZYOOQYZOKA-UHFFFAOYSA-N -1 1 317.378 0.801 10 0 DCAEMM CC[C@@H](NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)C(=O)OC ZINC000084372086 415494796 /nfs/dbraw/zinc/49/47/96/415494796.db2.gz VMXCYIMUUMKXSI-LLVKDONJSA-N -1 1 320.349 0.250 10 0 DCAEMM C[C@H](CC(=O)NC1(c2nn[n-]n2)CC1)NC(=O)c1ccccc1 ZINC000357076857 416030139 /nfs/dbraw/zinc/03/01/39/416030139.db2.gz RGJDUQWSYZASFD-SNVBAGLBSA-N -1 1 314.349 0.514 10 0 DCAEMM Cc1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c(O)c1C ZINC000436938913 416577863 /nfs/dbraw/zinc/57/78/63/416577863.db2.gz LRTRZJAGUYEISF-UHFFFAOYSA-N -1 1 310.335 0.783 10 0 DCAEMM Cc1ccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c(O)c1C ZINC000436938913 416577870 /nfs/dbraw/zinc/57/78/70/416577870.db2.gz LRTRZJAGUYEISF-UHFFFAOYSA-N -1 1 310.335 0.783 10 0 DCAEMM CCCC(O)(CCC)CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000440135382 416626502 /nfs/dbraw/zinc/62/65/02/416626502.db2.gz ONZLFEDUZUUTSX-UHFFFAOYSA-N -1 1 318.399 0.868 10 0 DCAEMM CCCC(O)(CCC)CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000440135382 416626504 /nfs/dbraw/zinc/62/65/04/416626504.db2.gz ONZLFEDUZUUTSX-UHFFFAOYSA-N -1 1 318.399 0.868 10 0 DCAEMM CC(C)OC(=O)[C@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000454335140 287494529 /nfs/dbraw/zinc/49/45/29/287494529.db2.gz XTOJNNCTIRINSO-VIFPVBQESA-N -1 1 303.318 0.993 10 0 DCAEMM C[C@H]1CCNC(=O)[C@@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000194783441 261148991 /nfs/dbraw/zinc/14/89/91/261148991.db2.gz JCLIBVCAOWWXMZ-GZMMTYOYSA-N -1 1 300.318 0.178 10 0 DCAEMM CCC[C@@H](C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1)N(C)C ZINC000188330801 520596318 /nfs/dbraw/zinc/59/63/18/520596318.db2.gz PSPGQVJRRUXYLR-LBPRGKRZSA-N -1 1 304.354 0.624 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-]CC[C@@H]2CC(=O)N(C)C2)c1Cl ZINC000723353163 658639563 /nfs/dbraw/zinc/63/95/63/658639563.db2.gz QWKGPRUSCKMVOK-MRVPVSSYSA-N -1 1 320.802 0.220 10 0 DCAEMM C[C@H](NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1cc(=O)[nH][n-]1 ZINC000898868901 663111344 /nfs/dbraw/zinc/11/13/44/663111344.db2.gz XZJHPPDYCHGBOU-GXSJLCMTSA-N -1 1 306.366 0.941 10 0 DCAEMM O=S(=O)([N-]CC[C@H](O)C(F)(F)F)c1cccnc1F ZINC000716713497 670270706 /nfs/dbraw/zinc/27/07/06/670270706.db2.gz PWSQYOGKOTWPCZ-ZETCQYMHSA-N -1 1 302.249 0.812 10 0 DCAEMM CN(CCC(=O)[O-])S(=O)(=O)NC[C@H]1CCN1C(C)(C)C ZINC000689963973 976270474 /nfs/dbraw/zinc/27/04/74/976270474.db2.gz DQHWUBKLGHRBNA-SNVBAGLBSA-N -1 1 307.416 0.100 10 0 DCAEMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC(=O)OCC1CC1 ZINC000102184295 395769014 /nfs/dbraw/zinc/76/90/14/395769014.db2.gz SQDCZPXPOFGFEQ-UHFFFAOYSA-N -1 1 321.786 0.613 10 0 DCAEMM Cc1nc(C)c(CCC(=O)N2CC[NH+](C3CC3)CC2)c(=O)[nH]1 ZINC000124824891 395901505 /nfs/dbraw/zinc/90/15/05/395901505.db2.gz JQQPLUTXTNTMBV-UHFFFAOYSA-N -1 1 304.394 0.626 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2C2CC2)c1Cl ZINC000230310924 395880038 /nfs/dbraw/zinc/88/00/38/395880038.db2.gz ZTUHHTIBFSGGPE-DTWKUNHWSA-N -1 1 305.787 0.919 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2O)o1 ZINC000155513877 396053115 /nfs/dbraw/zinc/05/31/15/396053115.db2.gz LWUZSFJYQSJXRD-UWVGGRQHSA-N -1 1 316.379 0.469 10 0 DCAEMM C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000180873778 396235229 /nfs/dbraw/zinc/23/52/29/396235229.db2.gz SOHIBWVHNJCOQN-NXEZZACHSA-N -1 1 314.345 0.649 10 0 DCAEMM COc1cccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c1F ZINC000372345671 396509495 /nfs/dbraw/zinc/50/94/95/396509495.db2.gz HXCDDJWCVZCZGX-SNVBAGLBSA-N -1 1 307.285 0.561 10 0 DCAEMM COCCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccccc1F ZINC000610702101 396753093 /nfs/dbraw/zinc/75/30/93/396753093.db2.gz GYWCVQAAYBLWTQ-GFCCVEGCSA-N -1 1 319.354 0.996 10 0 DCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2cn(C)nn2)o1 ZINC000611934991 396951804 /nfs/dbraw/zinc/95/18/04/396951804.db2.gz KAPUYNRMLUMLPQ-UHFFFAOYSA-N -1 1 314.323 0.063 10 0 DCAEMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000084796738 158089127 /nfs/dbraw/zinc/08/91/27/158089127.db2.gz CKGUOCNSHRSBMY-ZDUSSCGKSA-N -1 1 309.709 0.470 10 0 DCAEMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@]2(C1)NC(=O)NC2=O ZINC000084796719 158089228 /nfs/dbraw/zinc/08/92/28/158089228.db2.gz OJRXNBWJUNFGBD-CYBMUJFWSA-N -1 1 309.709 0.470 10 0 DCAEMM Cc1ccc2c([O-])c(C(=O)N(C)CC(=O)NC3CC3)cnc2n1 ZINC000123678657 158233218 /nfs/dbraw/zinc/23/32/18/158233218.db2.gz DSLRMDMHKATLBM-UHFFFAOYSA-N -1 1 314.345 0.994 10 0 DCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N(C)CC(=O)NC1CC1)c2=O ZINC000123678657 158233219 /nfs/dbraw/zinc/23/32/19/158233219.db2.gz DSLRMDMHKATLBM-UHFFFAOYSA-N -1 1 314.345 0.994 10 0 DCAEMM O=C(C[C@@H]1CCCCNC1=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000408066661 160027532 /nfs/dbraw/zinc/02/75/32/160027532.db2.gz AWRYUQIBKRGCOW-WDEREUQCSA-N -1 1 322.365 0.788 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOCC3(CC3)C2)o1 ZINC000408178093 160053778 /nfs/dbraw/zinc/05/37/78/160053778.db2.gz VGKSGLZFHFMOGS-UHFFFAOYSA-N -1 1 314.363 0.440 10 0 DCAEMM Cc1cnc(C(=O)N2CCC(N3CCNC3=O)CC2)c([O-])c1 ZINC000408229289 160064327 /nfs/dbraw/zinc/06/43/27/160064327.db2.gz POGAVPBUBARYQC-UHFFFAOYSA-N -1 1 304.350 0.725 10 0 DCAEMM CC(C)[C@H](C(=O)[N-]S(=O)(=O)C1COC1)N1CCCCC1 ZINC000408476855 160117221 /nfs/dbraw/zinc/11/72/21/160117221.db2.gz MTEYFMQZUOEJNQ-GFCCVEGCSA-N -1 1 304.412 0.342 10 0 DCAEMM C[C@H](NC(=O)[C@H](C)S(=O)(=O)c1ncn[n-]1)c1ccccc1 ZINC000086169719 415511120 /nfs/dbraw/zinc/51/11/20/415511120.db2.gz ASKNRISATUIFGK-UWVGGRQHSA-N -1 1 308.363 0.844 10 0 DCAEMM C[C@H](NC(=O)[C@H](C)S(=O)(=O)c1nc[n-]n1)c1ccccc1 ZINC000086169719 415511128 /nfs/dbraw/zinc/51/11/28/415511128.db2.gz ASKNRISATUIFGK-UWVGGRQHSA-N -1 1 308.363 0.844 10 0 DCAEMM CC(=O)Nc1ccc(CC(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000357073559 416030737 /nfs/dbraw/zinc/03/07/37/416030737.db2.gz RLYONUGEUXZECU-UHFFFAOYSA-N -1 1 300.322 0.506 10 0 DCAEMM C[C@H]1C(=O)CC[C@@H]1CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000359372383 416343906 /nfs/dbraw/zinc/34/39/06/416343906.db2.gz RYFXRARKVZSFMS-RNFRBKRXSA-N -1 1 300.340 0.152 10 0 DCAEMM C[C@H]1C(=O)CC[C@@H]1CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000359372383 416343908 /nfs/dbraw/zinc/34/39/08/416343908.db2.gz RYFXRARKVZSFMS-RNFRBKRXSA-N -1 1 300.340 0.152 10 0 DCAEMM CC(=O)c1ccc(O)c(NC(=O)c2cnc([O-])n(C)c2=O)c1 ZINC000436683690 416566954 /nfs/dbraw/zinc/56/69/54/416566954.db2.gz ZWSTWNGYQWSWJC-UHFFFAOYSA-N -1 1 303.274 0.646 10 0 DCAEMM Cc1c(CC(=O)NC2(c3nn[n-]n3)CC2)nnn1-c1ccccc1 ZINC000357083571 533831475 /nfs/dbraw/zinc/83/14/75/533831475.db2.gz YUYMXQHZCJOYGA-UHFFFAOYSA-N -1 1 324.348 0.437 10 0 DCAEMM CNC(=O)CC(=O)N[N-]C(=O)c1c(Cl)cccc1Cl ZINC000185018852 666321481 /nfs/dbraw/zinc/32/14/81/666321481.db2.gz FUVLIDQOCMPBLF-UHFFFAOYSA-N -1 1 304.133 0.891 10 0 DCAEMM COC(=O)[C@H](CO)[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000036818054 670197717 /nfs/dbraw/zinc/19/77/17/670197717.db2.gz AZOHESWTZINWRJ-MLRMMBSGSA-N -1 1 319.766 0.764 10 0 DCAEMM Cc1nc(S(=O)(=O)[N-]C2(CO)CC2)c(Br)n1C ZINC000383345305 685242662 /nfs/dbraw/zinc/24/26/62/685242662.db2.gz YRPWFVAZFOHFPX-UHFFFAOYSA-N -1 1 324.200 0.294 10 0 DCAEMM O=C([O-])c1ccc2c(c1)nc(CO)n2CCCN1CCOCC1 ZINC000040405940 183062405 /nfs/dbraw/zinc/06/24/05/183062405.db2.gz WDDFIFNZZSIVCG-UHFFFAOYSA-N -1 1 319.361 0.949 10 0 DCAEMM Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)[O-])cc1)CN2 ZINC000008664076 257137610 /nfs/dbraw/zinc/13/76/10/257137610.db2.gz OXIZGFYJYJOABB-VIFPVBQESA-N -1 1 316.321 0.781 10 0 in-vitro DCAEMM COc1cc(C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)ccc1O ZINC000254869465 396032387 /nfs/dbraw/zinc/03/23/87/396032387.db2.gz JDQHAKNYMPBAMS-SNVBAGLBSA-N -1 1 323.330 0.797 10 0 DCAEMM COc1cccc(COCC(=O)NC2(c3nn[n-]n3)CC2)c1 ZINC000563802928 396780580 /nfs/dbraw/zinc/78/05/80/396780580.db2.gz CBZHLHQIVCNCKA-UHFFFAOYSA-N -1 1 303.322 0.530 10 0 DCAEMM CS(=O)(=O)c1nnc(NC(=O)CCCc2ccccn2)[n-]1 ZINC000591450276 396922664 /nfs/dbraw/zinc/92/26/64/396922664.db2.gz IZNCLMLHDCXGTD-UHFFFAOYSA-N -1 1 309.351 0.565 10 0 DCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)CCCc2ccccn2)n1 ZINC000591450276 396922667 /nfs/dbraw/zinc/92/26/67/396922667.db2.gz IZNCLMLHDCXGTD-UHFFFAOYSA-N -1 1 309.351 0.565 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)o1 ZINC000408186646 160055449 /nfs/dbraw/zinc/05/54/49/160055449.db2.gz IZNKJFUQMSEKFJ-GUBZILKMSA-N -1 1 314.363 0.031 10 0 DCAEMM CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000068371564 415396648 /nfs/dbraw/zinc/39/66/48/415396648.db2.gz CLHWYGDPHDZVLI-NXEZZACHSA-N -1 1 316.361 0.956 10 0 DCAEMM Cc1c(C(=O)NC2(c3nn[n-]n3)CC2)nnn1-c1cccc(C)c1 ZINC000357049154 416027671 /nfs/dbraw/zinc/02/76/71/416027671.db2.gz HFKJBTBBFSZQSV-UHFFFAOYSA-N -1 1 324.348 0.816 10 0 DCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC(=O)NC1CCCCC1 ZINC000357587165 416100050 /nfs/dbraw/zinc/10/00/50/416100050.db2.gz USFMUZCEENODOV-UHFFFAOYSA-N -1 1 324.337 0.075 10 0 DCAEMM CO[C@](C)(C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)c1ccccc1 ZINC000361482002 416440214 /nfs/dbraw/zinc/44/02/14/416440214.db2.gz SXDZXEOJXYIRIP-ZDUSSCGKSA-N -1 1 324.362 0.709 10 0 DCAEMM CO[C@](C)(C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)c1ccccc1 ZINC000361482002 416440216 /nfs/dbraw/zinc/44/02/16/416440216.db2.gz SXDZXEOJXYIRIP-ZDUSSCGKSA-N -1 1 324.362 0.709 10 0 DCAEMM Cc1ccc2c([O-])c(C(=O)N[C@@H]3CCC(=O)N(C)C3)cnc2n1 ZINC000132336412 281049323 /nfs/dbraw/zinc/04/93/23/281049323.db2.gz OCULHUNTZWWKTQ-SNVBAGLBSA-N -1 1 314.345 0.994 10 0 DCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H]1CCC(=O)N(C)C1)c2=O ZINC000132336412 281049324 /nfs/dbraw/zinc/04/93/24/281049324.db2.gz OCULHUNTZWWKTQ-SNVBAGLBSA-N -1 1 314.345 0.994 10 0 DCAEMM CC(C)CC(=O)N[C@@H](C(=O)N(C)C[C@@H](C)c1nn[n-]n1)C(C)C ZINC000156545875 519596164 /nfs/dbraw/zinc/59/61/64/519596164.db2.gz ONTHTEZMAYPEBC-DGCLKSJQSA-N -1 1 324.429 0.949 10 0 DCAEMM COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ncccc1[O-] ZINC000132023173 523220470 /nfs/dbraw/zinc/22/04/70/523220470.db2.gz OVDOJQYTKQTEDO-VIFPVBQESA-N -1 1 303.322 0.790 10 0 DCAEMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1ccc2c(c1)CCCO2 ZINC000727854018 662255420 /nfs/dbraw/zinc/25/54/20/662255420.db2.gz PZIVUQRHBROACP-UHFFFAOYSA-N -1 1 315.329 0.890 10 0 DCAEMM CCn1cc(CN2CCN([C@]3(C(=O)[O-])CCOC3)CC2)cn1 ZINC000886071733 667728317 /nfs/dbraw/zinc/72/83/17/667728317.db2.gz BTCKOHGENWTPRG-OAHLLOKOSA-N -1 1 308.382 0.264 10 0 DCAEMM O=C([O-])[C@]1(N2CCN(C(=O)CCc3ccco3)CC2)CCOC1 ZINC000886077922 667728945 /nfs/dbraw/zinc/72/89/45/667728945.db2.gz RBQRWRWKSIOLJQ-INIZCTEOSA-N -1 1 322.361 0.600 10 0 DCAEMM CN(C)Cc1cc(O[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)ccn1 ZINC000886096378 667731504 /nfs/dbraw/zinc/73/15/04/667731504.db2.gz CXWHEBGGTMKXGD-ZDUSSCGKSA-N -1 1 318.381 0.620 10 0 DCAEMM COC(=O)[C@H]1CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000170791567 533390218 /nfs/dbraw/zinc/39/02/18/533390218.db2.gz MMPLCYLURZJXSR-JTQLQIEISA-N -1 1 315.329 0.948 10 0 DCAEMM O=S(=O)([N-][C@H]1CCOC[C@@H]1O)c1ccc(F)c(F)c1F ZINC000625593401 396939649 /nfs/dbraw/zinc/93/96/49/396939649.db2.gz AIEOAQMWMSDJHW-YUMQZZPRSA-N -1 1 311.281 0.532 10 0 DCAEMM O=C([O-])CN1CCCN(S(=O)(=O)CC2CCCCC2)CC1 ZINC000061145618 158027858 /nfs/dbraw/zinc/02/78/58/158027858.db2.gz QVNVNRZCUOSJTJ-UHFFFAOYSA-N -1 1 318.439 0.989 10 0 DCAEMM NC(=O)c1ccc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000122792737 158224402 /nfs/dbraw/zinc/22/44/02/158224402.db2.gz HNYSKDOILWDIGX-UHFFFAOYSA-N -1 1 322.324 0.952 10 0 DCAEMM O=C(N1CCC[C@@H](c2nn[n-]n2)C1)C(F)(F)C1(O)CCC1 ZINC000367052025 159309217 /nfs/dbraw/zinc/30/92/17/159309217.db2.gz GTKMBQQFKPWAGH-MRVPVSSYSA-N -1 1 301.297 0.456 10 0 DCAEMM Cc1ccc2c([O-])c(C(=O)N3CCO[C@H]([C@@H](C)O)C3)cnc2n1 ZINC000408465221 160114137 /nfs/dbraw/zinc/11/41/37/160114137.db2.gz GVBZWUSQSVJKQX-MFKMUULPSA-N -1 1 317.345 0.866 10 0 DCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCO[C@H]([C@@H](C)O)C1)c2=O ZINC000408465221 160114139 /nfs/dbraw/zinc/11/41/39/160114139.db2.gz GVBZWUSQSVJKQX-MFKMUULPSA-N -1 1 317.345 0.866 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)c1ccc(Br)cn1 ZINC000357080003 287203520 /nfs/dbraw/zinc/20/35/20/287203520.db2.gz RFSXFKFWUHYVKB-UHFFFAOYSA-N -1 1 309.127 0.776 10 0 DCAEMM CN(C)C(=O)Nc1cccc(C(=O)NC2(c3nn[n-]n3)CC2)c1 ZINC000357047149 416026044 /nfs/dbraw/zinc/02/60/44/416026044.db2.gz LITCGODBMGOCIB-UHFFFAOYSA-N -1 1 315.337 0.712 10 0 DCAEMM CNC(=O)[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)C(C)C ZINC000178819423 416173761 /nfs/dbraw/zinc/17/37/61/416173761.db2.gz CLYVNSPRGLCXSO-LLVKDONJSA-N -1 1 302.334 0.424 10 0 DCAEMM C[C@H]1CC[C@@H](CCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)O1 ZINC000439151734 416607776 /nfs/dbraw/zinc/60/77/76/416607776.db2.gz KUOJNBJCKULLJJ-YUMQZZPRSA-N -1 1 302.356 0.494 10 0 DCAEMM C[C@H]1CC[C@@H](CCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)O1 ZINC000439151734 416607781 /nfs/dbraw/zinc/60/77/81/416607781.db2.gz KUOJNBJCKULLJJ-YUMQZZPRSA-N -1 1 302.356 0.494 10 0 DCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cccc3cc[nH]c32)n1 ZINC000439147242 416608408 /nfs/dbraw/zinc/60/84/08/416608408.db2.gz MAQBZMLRWJVRNT-UHFFFAOYSA-N -1 1 305.319 0.942 10 0 DCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cccc3cc[nH]c32)[n-]1 ZINC000439147242 416608414 /nfs/dbraw/zinc/60/84/14/416608414.db2.gz MAQBZMLRWJVRNT-UHFFFAOYSA-N -1 1 305.319 0.942 10 0 DCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2OCCc3ccccc32)n1 ZINC000441830172 416681038 /nfs/dbraw/zinc/68/10/38/416681038.db2.gz YTEJBFJXPWHWDK-SNVBAGLBSA-N -1 1 322.346 0.461 10 0 DCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2OCCc3ccccc32)[n-]1 ZINC000441830172 416681040 /nfs/dbraw/zinc/68/10/40/416681040.db2.gz YTEJBFJXPWHWDK-SNVBAGLBSA-N -1 1 322.346 0.461 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)c1ccc(O[C@@H]2CCOC2)cc1 ZINC000447589156 417008121 /nfs/dbraw/zinc/00/81/21/417008121.db2.gz XAYXWRLISCBHEH-GFCCVEGCSA-N -1 1 315.333 0.787 10 0 DCAEMM CC(=O)N1CCC[C@H]1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000632880061 417284693 /nfs/dbraw/zinc/28/46/93/417284693.db2.gz JKRKWKJKNCZRIE-NSHDSACASA-N -1 1 308.338 0.492 10 0 DCAEMM CCOC(=O)[C@H]1CN(C(=O)c2ncccc2[O-])CC12COC2 ZINC000452254081 417462432 /nfs/dbraw/zinc/46/24/32/417462432.db2.gz FNEWYZXBOWUEMC-SNVBAGLBSA-N -1 1 306.318 0.439 10 0 DCAEMM Cn1ncc(C(=O)NC2(c3nn[n-]n3)CC2)c1Cc1ccccc1 ZINC000574991649 417499080 /nfs/dbraw/zinc/49/90/80/417499080.db2.gz XXEJCSITLHUTES-UHFFFAOYSA-N -1 1 323.360 0.943 10 0 DCAEMM C[C@H](CN1CCOCC1)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000107324033 278194343 /nfs/dbraw/zinc/19/43/43/278194343.db2.gz KHFAOWDOEKFGSU-LLVKDONJSA-N -1 1 316.361 0.374 10 0 DCAEMM CC(=O)NC1CN(C(=O)c2cnc3nc(C)ccc3c2[O-])C1 ZINC000190612013 545924175 /nfs/dbraw/zinc/92/41/75/545924175.db2.gz FAYUVBKMLIGDLB-UHFFFAOYSA-N -1 1 300.318 0.604 10 0 DCAEMM CC(=O)NC1CN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)C1 ZINC000190612013 545924180 /nfs/dbraw/zinc/92/41/80/545924180.db2.gz FAYUVBKMLIGDLB-UHFFFAOYSA-N -1 1 300.318 0.604 10 0 DCAEMM O=C([N-]S(=O)(=O)N1CCCCC1)c1[nH]nc2c1CCCC2 ZINC000132281425 666267307 /nfs/dbraw/zinc/26/73/07/666267307.db2.gz XKDNZFITZVPHEK-UHFFFAOYSA-N -1 1 312.395 0.749 10 0 DCAEMM Cc1nc([C@H](C)NS(=O)(=O)c2cc(C(=O)[O-])co2)n[nH]1 ZINC000694171927 976674731 /nfs/dbraw/zinc/67/47/31/976674731.db2.gz FFABESILSCVDRJ-YFKPBYRVSA-N -1 1 300.296 0.444 10 0 DCAEMM O=C([O-])[C@H]1Cc2nc[nH]c2CN1S(=O)(=O)c1ccccc1 ZINC000092778474 304205655 /nfs/dbraw/zinc/20/56/55/304205655.db2.gz YROJNHUTBRFRBA-GFCCVEGCSA-N -1 1 307.331 0.610 10 0 DCAEMM CCN1CCN(c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)CC1 ZINC000031894453 285339912 /nfs/dbraw/zinc/33/99/12/285339912.db2.gz UERFBXFYBPBJIH-UHFFFAOYSA-N -1 1 302.334 0.763 10 0 DCAEMM O=C(NC1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1)C1CC1 ZINC000186769016 396357834 /nfs/dbraw/zinc/35/78/34/396357834.db2.gz GKVTYTHXCKWGLC-UHFFFAOYSA-N -1 1 312.329 0.274 10 0 DCAEMM CN1CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1=O ZINC000189208057 396392067 /nfs/dbraw/zinc/39/20/67/396392067.db2.gz BRKZGDUNWMUTQG-UHFFFAOYSA-N -1 1 300.318 0.227 10 0 DCAEMM CC(=O)c1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)n(C)c1 ZINC000533572652 396606461 /nfs/dbraw/zinc/60/64/61/396606461.db2.gz KFHXVQAJIZOGND-JTQLQIEISA-N -1 1 302.338 0.761 10 0 DCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1cocn1 ZINC000397749814 397313308 /nfs/dbraw/zinc/31/33/08/397313308.db2.gz DBNNUAPSRRQDTN-UHFFFAOYSA-N -1 1 300.296 0.053 10 0 DCAEMM COC(=O)[C@@H]1C[C@H]1C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000114411437 158152713 /nfs/dbraw/zinc/15/27/13/158152713.db2.gz WDGKNIUXICDLME-NXEZZACHSA-N -1 1 318.333 0.065 10 0 DCAEMM Cc1cnc(C(=O)N2CCN(c3cnn(C)c3)CC2)c([O-])c1 ZINC000408106435 160037130 /nfs/dbraw/zinc/03/71/30/160037130.db2.gz KUWLOXIKBFDPSF-UHFFFAOYSA-N -1 1 301.350 0.792 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC([C@@H](C)O)CC2)o1 ZINC000408189990 160056064 /nfs/dbraw/zinc/05/60/64/160056064.db2.gz RIKMGBIVYSOKCC-SECBINFHSA-N -1 1 316.379 0.421 10 0 DCAEMM Cc1cnc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c([O-])c1 ZINC000408223368 160063141 /nfs/dbraw/zinc/06/31/41/160063141.db2.gz ISTJBYURFWWRTA-OLZOCXBDSA-N -1 1 305.378 0.888 10 0 DCAEMM Cc1nnc([C@@H]2CN(C(=O)c3ncc(C)cc3[O-])CCO2)[nH]1 ZINC000408229023 160064050 /nfs/dbraw/zinc/06/40/50/160064050.db2.gz LVTOXVMJNFOSLR-NSHDSACASA-N -1 1 303.322 0.736 10 0 DCAEMM Cc1nc([C@@H]2CN(C(=O)c3ncc(C)cc3[O-])CCO2)n[nH]1 ZINC000408229023 160064051 /nfs/dbraw/zinc/06/40/51/160064051.db2.gz LVTOXVMJNFOSLR-NSHDSACASA-N -1 1 303.322 0.736 10 0 DCAEMM CCc1nc(S(=O)(=O)CC(=O)Nc2ccccc2F)n[n-]1 ZINC000153145344 287047150 /nfs/dbraw/zinc/04/71/50/287047150.db2.gz IFTSBFUIMYWRBU-UHFFFAOYSA-N -1 1 312.326 0.919 10 0 DCAEMM Cc1ccccc1S(=O)(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000088715199 415517465 /nfs/dbraw/zinc/51/74/65/415517465.db2.gz MLVSXTHTQHUBCA-LLVKDONJSA-N -1 1 309.347 0.692 10 0 DCAEMM C/C=C/C[C@H]([N-]S(=O)(=O)Cc1ccon1)C(=O)OCC ZINC000440089635 416627103 /nfs/dbraw/zinc/62/71/03/416627103.db2.gz DQRPLVUNENKHRO-TZNOJPMFSA-N -1 1 302.352 0.992 10 0 DCAEMM CC(=O)N1CCN(C(=O)CCc2nn[n-]n2)CC12CCCCC2 ZINC000632214487 416961614 /nfs/dbraw/zinc/96/16/14/416961614.db2.gz CFAUMIWTZNXIMU-UHFFFAOYSA-N -1 1 320.397 0.526 10 0 DCAEMM C[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)C[C@@H](CO)O1 ZINC000190832042 261135883 /nfs/dbraw/zinc/13/58/83/261135883.db2.gz CGJUKACXOBJTIB-UWVGGRQHSA-N -1 1 303.318 0.145 10 0 DCAEMM C[C@](O)(CO)CNC(=O)c1cc(Br)ccc1[O-] ZINC000235710507 261155005 /nfs/dbraw/zinc/15/50/05/261155005.db2.gz SBLUWZMZUAKMFO-LLVKDONJSA-N -1 1 304.140 0.628 10 0 DCAEMM Cn1[n-]c(CN2CCO[C@@H](COc3ccccc3)C2)nc1=O ZINC000555448866 288351349 /nfs/dbraw/zinc/35/13/49/288351349.db2.gz XJKRHWUUQOELNJ-CYBMUJFWSA-N -1 1 304.350 0.388 10 0 DCAEMM NC(=O)[C@H]1CCC[C@@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000172332556 341796806 /nfs/dbraw/zinc/79/68/06/341796806.db2.gz HMGKJNLCLXEGRX-VHSXEESVSA-N -1 1 314.345 0.697 10 0 DCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1CC[C@H](C)O1 ZINC000154838006 527116333 /nfs/dbraw/zinc/11/63/33/527116333.db2.gz ADKXZVNCZOTKDY-UFBFGSQYSA-N -1 1 304.350 0.823 10 0 DCAEMM Cc1ccc(-c2cc(C(=O)[N-]N3CC(=O)NC3=O)n[nH]2)c(C)c1 ZINC000188364957 670005079 /nfs/dbraw/zinc/00/50/79/670005079.db2.gz AONYMIFFRSKVEL-UHFFFAOYSA-N -1 1 313.317 0.890 10 0 DCAEMM Cc1ccc(-c2cc(C(=O)NN3CC(=O)[N-]C3=O)[nH]n2)c(C)c1 ZINC000188364957 670005083 /nfs/dbraw/zinc/00/50/83/670005083.db2.gz AONYMIFFRSKVEL-UHFFFAOYSA-N -1 1 313.317 0.890 10 0 DCAEMM Cc1noc([C@@H]([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)C(C)C)n1 ZINC000193917261 1188106525 /nfs/dbraw/zinc/10/65/25/1188106525.db2.gz DFWFRSGAJAGKHI-SCZZXKLOSA-N -1 1 318.399 0.471 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCC(C)(C)O2)co1 ZINC000187380647 200103976 /nfs/dbraw/zinc/10/39/76/200103976.db2.gz ZVQLOFADAPSVEE-SNVBAGLBSA-N -1 1 316.379 0.875 10 0 DCAEMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)C(=O)N(C)C ZINC000048666970 183675868 /nfs/dbraw/zinc/67/58/68/183675868.db2.gz HNPITZZKRLMZFV-ZETCQYMHSA-N -1 1 308.791 0.137 10 0 DCAEMM CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000028817898 395696387 /nfs/dbraw/zinc/69/63/87/395696387.db2.gz RYOJVQBCNKVWLS-UHFFFAOYSA-N -1 1 300.336 0.372 10 0 DCAEMM Cn1cc(CCC[N-]S(=O)(=O)c2ncn(C)c2Cl)cn1 ZINC000102661897 395771351 /nfs/dbraw/zinc/77/13/51/395771351.db2.gz AMHSDMGUMGCGPW-UHFFFAOYSA-N -1 1 317.802 0.718 10 0 DCAEMM CC(C)Cc1nsc([N-]c2cnn(CC(=O)NCCO)c2)n1 ZINC000274729788 395971541 /nfs/dbraw/zinc/97/15/41/395971541.db2.gz ZXQONLVOGYOKAA-UHFFFAOYSA-N -1 1 324.410 0.785 10 0 DCAEMM C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000180873757 396235179 /nfs/dbraw/zinc/23/51/79/396235179.db2.gz SOHIBWVHNJCOQN-UWVGGRQHSA-N -1 1 314.345 0.649 10 0 DCAEMM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-]Cc1nc(-c2ccncc2)no1 ZINC000189972796 396401784 /nfs/dbraw/zinc/40/17/84/396401784.db2.gz QJHWUTAYEKFAEO-GXSJLCMTSA-N -1 1 324.362 0.728 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2[C@H](C)COC[C@@H]2C)co1 ZINC000270169954 396462379 /nfs/dbraw/zinc/46/23/79/396462379.db2.gz KXKYNPOSKUQUFP-DTORHVGOSA-N -1 1 302.352 0.437 10 0 DCAEMM O=C(NCc1nn[n-]n1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000599344431 397415202 /nfs/dbraw/zinc/41/52/02/397415202.db2.gz LCVBKBNYCFCVFB-NSHDSACASA-N -1 1 316.321 0.247 10 0 DCAEMM C[C@@H](C[N-]S(=O)(=O)CC(F)(F)F)N1CCN(C)CC1 ZINC000408141303 160046046 /nfs/dbraw/zinc/04/60/46/160046046.db2.gz UFDFNLBAWDCEAU-VIFPVBQESA-N -1 1 303.350 0.104 10 0 DCAEMM C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)S(=O)(=O)c1ncn[n-]1 ZINC000246048216 287075755 /nfs/dbraw/zinc/07/57/55/287075755.db2.gz ALXUWTQCIDKUFK-BBBLOLIVSA-N -1 1 300.384 0.471 10 0 DCAEMM C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)S(=O)(=O)c1nc[n-]n1 ZINC000246048216 287075758 /nfs/dbraw/zinc/07/57/58/287075758.db2.gz ALXUWTQCIDKUFK-BBBLOLIVSA-N -1 1 300.384 0.471 10 0 DCAEMM C[C@H]1CCCN(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)C1 ZINC000172895060 416049844 /nfs/dbraw/zinc/04/98/44/416049844.db2.gz PLIKGSNFVMKGFM-JTQLQIEISA-N -1 1 315.399 0.147 10 0 DCAEMM Cn1cc(N2CCC[C@@H](NC(=O)c3ncccc3[O-])C2)cn1 ZINC000173468739 416058698 /nfs/dbraw/zinc/05/86/98/416058698.db2.gz PTJPBBVOELOVKQ-LLVKDONJSA-N -1 1 301.350 0.920 10 0 DCAEMM C[C@@H](CC(=O)NC1(c2nn[n-]n2)CC1)NC(=O)C1CCCCC1 ZINC000357077467 416030498 /nfs/dbraw/zinc/03/04/98/416030498.db2.gz WNLBYIQFRLFZJC-JTQLQIEISA-N -1 1 320.397 0.780 10 0 DCAEMM CCc1ncsc1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000441822889 416680605 /nfs/dbraw/zinc/68/06/05/416680605.db2.gz KVQIRWMWYGMUKN-UHFFFAOYSA-N -1 1 301.353 0.479 10 0 DCAEMM CCc1ncsc1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000441822889 416680610 /nfs/dbraw/zinc/68/06/10/416680610.db2.gz KVQIRWMWYGMUKN-UHFFFAOYSA-N -1 1 301.353 0.479 10 0 DCAEMM C[C@@](O)(CO)CNC(=O)c1cc(Br)ccc1[O-] ZINC000235403010 261154572 /nfs/dbraw/zinc/15/45/72/261154572.db2.gz SBLUWZMZUAKMFO-NSHDSACASA-N -1 1 304.140 0.628 10 0 DCAEMM CC(C)CC(=O)N[C@H](C(=O)N(C)C[C@@H](C)c1nn[n-]n1)C(C)C ZINC000156545746 519600093 /nfs/dbraw/zinc/60/00/93/519600093.db2.gz ONTHTEZMAYPEBC-YPMHNXCESA-N -1 1 324.429 0.949 10 0 DCAEMM CCOC(=O)[C@@H](C)CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000176421821 527720478 /nfs/dbraw/zinc/72/04/78/527720478.db2.gz LPHQIZYJFGIKFX-VIFPVBQESA-N -1 1 303.318 0.852 10 0 DCAEMM COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1cnccc1N(C)C ZINC000888079162 658729758 /nfs/dbraw/zinc/72/97/58/658729758.db2.gz GGKNZIAITZDXAN-OAHLLOKOSA-N -1 1 307.350 0.853 10 0 DCAEMM CN(C)[C@@H]1CCN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)C1 ZINC000062966608 664625096 /nfs/dbraw/zinc/62/50/96/664625096.db2.gz APICWGKQMREFMY-SECBINFHSA-N -1 1 314.363 0.415 10 0 DCAEMM O=S(=O)([N-][C@H]1CCOC[C@@H]1O)c1ccc(Cl)nc1F ZINC000707061911 667431022 /nfs/dbraw/zinc/43/10/22/667431022.db2.gz ITBIHLPPISVPBM-BQBZGAKWSA-N -1 1 310.734 0.302 10 0 DCAEMM Cn1ncc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n1 ZINC000389937004 685258028 /nfs/dbraw/zinc/25/80/28/685258028.db2.gz NKFPNBGYDXRCKN-UHFFFAOYSA-N -1 1 311.754 0.819 10 0 DCAEMM CCCN1CC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000694152233 976670981 /nfs/dbraw/zinc/67/09/81/976670981.db2.gz UQQZHTTZYJOACD-JTQLQIEISA-N -1 1 302.352 0.740 10 0 DCAEMM COC[C@](C)(CCO)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000176350774 533188414 /nfs/dbraw/zinc/18/84/14/533188414.db2.gz XOXBUVADCGARGM-HNNXBMFYSA-N -1 1 305.334 0.440 10 0 DCAEMM CCN1CCN(c2nc3cc(C(=O)[O-])ccc3c(=O)n2C)CC1 ZINC000040351710 285340142 /nfs/dbraw/zinc/34/01/42/285340142.db2.gz YXEJOZUHIRLEKD-UHFFFAOYSA-N -1 1 316.361 0.774 10 0 DCAEMM COc1ccc(OCCCS(=O)(=O)c2nc(N)n[n-]2)cc1 ZINC000008015972 395683915 /nfs/dbraw/zinc/68/39/15/395683915.db2.gz JZYKLKFDUABFNM-UHFFFAOYSA-N -1 1 312.351 0.638 10 0 DCAEMM COc1ccc(OCCCS(=O)(=O)c2n[n-]c(N)n2)cc1 ZINC000008015972 395683916 /nfs/dbraw/zinc/68/39/16/395683916.db2.gz JZYKLKFDUABFNM-UHFFFAOYSA-N -1 1 312.351 0.638 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2CO)c1Cl ZINC000230149584 395878754 /nfs/dbraw/zinc/87/87/54/395878754.db2.gz PJFFVZUSZCYSAV-BDAKNGLRSA-N -1 1 307.803 0.903 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2CO)c1Cl ZINC000230149587 395878884 /nfs/dbraw/zinc/87/88/84/395878884.db2.gz PJFFVZUSZCYSAV-DTWKUNHWSA-N -1 1 307.803 0.903 10 0 DCAEMM Cc1nc(CNS(=O)(=O)c2scnc2C(=O)[O-])no1 ZINC000231787908 395885331 /nfs/dbraw/zinc/88/53/31/395885331.db2.gz GEYIKQHLKGDBLB-UHFFFAOYSA-N -1 1 304.309 0.011 10 0 DCAEMM C[C@H](O)CN1CCN(CC(=O)[N-]OCc2ccccc2)C[C@H]1C ZINC000252734761 396024242 /nfs/dbraw/zinc/02/42/42/396024242.db2.gz DQGMOQLOCNGLLU-CABCVRRESA-N -1 1 321.421 0.621 10 0 DCAEMM O=C(NC[C@@H](O)CN1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000154115387 396031243 /nfs/dbraw/zinc/03/12/43/396031243.db2.gz GTGLPKZUYJNQOU-LLVKDONJSA-N -1 1 314.769 0.469 10 0 DCAEMM Cc1cnn(C[C@H]2CN(C(=O)c3cncc([O-])c3)CCO2)c1 ZINC000171845661 396126051 /nfs/dbraw/zinc/12/60/51/396126051.db2.gz GRCWCDCTQJQFFP-CQSZACIVSA-N -1 1 302.334 0.833 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)[C@H](OC)C2)co1 ZINC000187805984 396374881 /nfs/dbraw/zinc/37/48/81/396374881.db2.gz MXLAQRSIEAOUMZ-MWLCHTKSSA-N -1 1 316.379 0.685 10 0 DCAEMM Cc1cncc(C=CC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c1 ZINC000378199893 397210698 /nfs/dbraw/zinc/21/06/98/397210698.db2.gz JRDUJLLAGVNKSN-QAVQXKDTSA-N -1 1 300.322 0.516 10 0 DCAEMM CCO[C@H]1C[C@]([N-]S(=O)(=O)CCOC)(C(=O)OC)C1(C)C ZINC000444278753 286549957 /nfs/dbraw/zinc/54/99/57/286549957.db2.gz UVJLBXLNFSMHPR-GWCFXTLKSA-N -1 1 323.411 0.299 10 0 DCAEMM O=C(N[C@@H]1CCc2ncnn2C1)c1nc2ccccc2c(=O)[n-]1 ZINC000112712356 158144059 /nfs/dbraw/zinc/14/40/59/158144059.db2.gz WNIZQVNMMIYJFJ-SECBINFHSA-N -1 1 310.317 0.259 10 0 DCAEMM Cc1ccc([C@]2(C)NC(=O)N(Cc3nc(=O)n(C)[n-]3)C2=O)cc1 ZINC000329315518 159082034 /nfs/dbraw/zinc/08/20/34/159082034.db2.gz BAMDJRLWKMVORD-HNNXBMFYSA-N -1 1 315.333 0.588 10 0 DCAEMM CC(C)(C)c1[nH]ncc1C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000408129754 160043750 /nfs/dbraw/zinc/04/37/50/160043750.db2.gz BLWPXECSAYUOSV-VIFPVBQESA-N -1 1 315.395 0.946 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)o1 ZINC000408186647 160055347 /nfs/dbraw/zinc/05/53/47/160055347.db2.gz IZNKJFUQMSEKFJ-IVZWLZJFSA-N -1 1 314.363 0.031 10 0 DCAEMM C[C@@H]1CCCN(C(=O)C(=O)NC2(c3nn[n-]n3)CCCC2)C1 ZINC000408440114 160108398 /nfs/dbraw/zinc/10/83/98/160108398.db2.gz YHFCYPXEWZWIKW-SNVBAGLBSA-N -1 1 306.370 0.344 10 0 DCAEMM Cc1cccc(C(=O)N[C@@H](C)C(=O)NC2(c3nn[n-]n3)CC2)c1 ZINC000357061251 416027459 /nfs/dbraw/zinc/02/74/59/416027459.db2.gz UYQHYMOIASIXHY-JTQLQIEISA-N -1 1 314.349 0.432 10 0 DCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1CCOC[C@H]1C ZINC000192573522 416308423 /nfs/dbraw/zinc/30/84/23/416308423.db2.gz PDDHDMRMNSKQGN-BXKDBHETSA-N -1 1 318.377 0.928 10 0 DCAEMM C[C@@H]1C(=O)CC[C@@H]1CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000359372382 416343851 /nfs/dbraw/zinc/34/38/51/416343851.db2.gz RYFXRARKVZSFMS-NKWVEPMBSA-N -1 1 300.340 0.152 10 0 DCAEMM C[C@@H]1C(=O)CC[C@@H]1CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000359372382 416343852 /nfs/dbraw/zinc/34/38/52/416343852.db2.gz RYFXRARKVZSFMS-NKWVEPMBSA-N -1 1 300.340 0.152 10 0 DCAEMM NC(=O)[C@@H]1CN(C(=O)c2cncc([O-])c2)C[C@H]1C(F)(F)F ZINC000299740990 229377436 /nfs/dbraw/zinc/37/74/36/229377436.db2.gz CPPVXJJFDPCMBO-RKDXNWHRSA-N -1 1 303.240 0.523 10 0 DCAEMM COc1cc(C)ccc1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000547743916 288075142 /nfs/dbraw/zinc/07/51/42/288075142.db2.gz AVKPQDIMAWRYKN-UHFFFAOYSA-N -1 1 310.335 0.778 10 0 DCAEMM COc1cc(C)ccc1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000547743916 288075145 /nfs/dbraw/zinc/07/51/45/288075145.db2.gz AVKPQDIMAWRYKN-UHFFFAOYSA-N -1 1 310.335 0.778 10 0 DCAEMM C[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)CCN1CCO ZINC000187128009 534435129 /nfs/dbraw/zinc/43/51/29/534435129.db2.gz ZNHHXDROALOQSU-LLVKDONJSA-N -1 1 316.361 0.062 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCC[C@H](CO)C2)c1Cl ZINC000311404164 659285191 /nfs/dbraw/zinc/28/51/91/659285191.db2.gz IIPDEXNCGRHIIH-DTWKUNHWSA-N -1 1 307.803 0.903 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(N)=O)C2)c1Cl ZINC000172612261 664623821 /nfs/dbraw/zinc/62/38/21/664623821.db2.gz XMDHOFCYDIBOTB-HTQZYQBOSA-N -1 1 320.802 0.396 10 0 DCAEMM COc1cccc(CN2CCN([C@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC000886071946 667728347 /nfs/dbraw/zinc/72/83/47/667728347.db2.gz QXPZWZVLYIKWQN-MRXNPFEDSA-N -1 1 321.377 0.452 10 0 DCAEMM O=C([O-])CN1CCCN(S(=O)(=O)CCCC2CC2)CC1 ZINC000715024683 670201939 /nfs/dbraw/zinc/20/19/39/670201939.db2.gz ZKVQJIGGZGJHRD-UHFFFAOYSA-N -1 1 304.412 0.599 10 0 DCAEMM C[C@H](C(=O)[O-])N(C)C(=O)N[C@H]1CCCN2CCSC[C@H]12 ZINC000720482232 685313192 /nfs/dbraw/zinc/31/31/92/685313192.db2.gz KAOVKXMMABNUDW-OUAUKWLOSA-N -1 1 301.412 0.681 10 0 DCAEMM Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)cc1 ZINC000060205918 184144970 /nfs/dbraw/zinc/14/49/70/184144970.db2.gz GGWCMTDTOHDKHM-UHFFFAOYSA-N -1 1 312.391 0.776 10 0 DCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000104035730 395776791 /nfs/dbraw/zinc/77/67/91/395776791.db2.gz IJIDFCTUHZTURB-GWCFXTLKSA-N -1 1 318.377 0.866 10 0 DCAEMM CC[C@H](CO)N1CCN(CC(=O)[N-]OCc2ccccc2)CC1 ZINC000119445326 395870644 /nfs/dbraw/zinc/87/06/44/395870644.db2.gz STLDOWVBFDQPJH-MRXNPFEDSA-N -1 1 321.421 0.623 10 0 DCAEMM Cn1ncc2c1[n-]cc(C(=O)N[C@@H]1C[C@H]3OCCC[C@H]13)c2=O ZINC000189330295 396394168 /nfs/dbraw/zinc/39/41/68/396394168.db2.gz YMVNOKKARJDBKR-GGZOMVNGSA-N -1 1 302.334 0.971 10 0 DCAEMM CCN1CCCN(C(=O)c2c[n-]c3c(cnn3C)c2=O)CC1=O ZINC000188091724 396379272 /nfs/dbraw/zinc/37/92/72/396379272.db2.gz YQGOWQRKAYZAOI-UHFFFAOYSA-N -1 1 317.349 0.368 10 0 DCAEMM CCC[C@](C)([N-]S(=O)(=O)C(COC)COC)C(=O)OC ZINC000603273142 397591541 /nfs/dbraw/zinc/59/15/41/397591541.db2.gz NBQILNQIKOIXOF-LBPRGKRZSA-N -1 1 311.400 0.299 10 0 DCAEMM C[C@@]1(C(=O)NCc2nn[n-]n2)CCCN1C(=O)c1ccccc1 ZINC000604867734 397656002 /nfs/dbraw/zinc/65/60/02/397656002.db2.gz HFDAHPRRXBOZIJ-HNNXBMFYSA-N -1 1 314.349 0.511 10 0 DCAEMM O=C(NC[C@@]1(CCO)CCOC1)c1nc2ccccc2c(=O)[n-]1 ZINC000127789594 415892263 /nfs/dbraw/zinc/89/22/63/415892263.db2.gz RYDQEPLULNVEEB-MRXNPFEDSA-N -1 1 317.345 0.442 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)C1=Cc2cc(F)ccc2OC1 ZINC000357072430 416030323 /nfs/dbraw/zinc/03/03/23/416030323.db2.gz QKWAQKXWMSESKD-UHFFFAOYSA-N -1 1 301.281 0.920 10 0 DCAEMM CC(=O)c1ccc2c(c1)CCN(C(=O)CCc1nn[n-]n1)CC2 ZINC000632115549 416915583 /nfs/dbraw/zinc/91/55/83/416915583.db2.gz VQWARKVKLTWZJC-UHFFFAOYSA-N -1 1 313.361 0.962 10 0 DCAEMM C[C@]1(C(=O)Nc2nnn[n-]2)CCCN1C(=O)c1ccccc1 ZINC000363240575 262107500 /nfs/dbraw/zinc/10/75/00/262107500.db2.gz QBEOAJDQTIKLQU-CQSZACIVSA-N -1 1 300.322 0.833 10 0 DCAEMM C[C@]1(C(=O)Nc2nn[n-]n2)CCCN1C(=O)c1ccccc1 ZINC000363240575 262107501 /nfs/dbraw/zinc/10/75/01/262107501.db2.gz QBEOAJDQTIKLQU-CQSZACIVSA-N -1 1 300.322 0.833 10 0 DCAEMM NS(=O)(=O)c1ccc(CNC(=O)c2cncc([O-])c2)cc1 ZINC000111686514 527313928 /nfs/dbraw/zinc/31/39/28/527313928.db2.gz HXCXLHRQPMSAJE-UHFFFAOYSA-N -1 1 307.331 0.365 10 0 DCAEMM C[C@H](CS(C)(=O)=O)CS(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195168343 545934408 /nfs/dbraw/zinc/93/44/08/545934408.db2.gz WWWBIZIIKYYPQW-MRVPVSSYSA-N -1 1 323.440 0.557 10 0 DCAEMM CC(C)(C)OC(=O)N1CC[C@H](n2nnc(CN)c2C(=O)[O-])C1 ZINC000675053387 547658157 /nfs/dbraw/zinc/65/81/57/547658157.db2.gz NIGPEPASBWZJMF-QMMMGPOBSA-N -1 1 311.342 0.617 10 0 DCAEMM COc1nc(C)cc(N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC000886095224 667731307 /nfs/dbraw/zinc/73/13/07/667731307.db2.gz OGGFGLJFBAVFHS-OAHLLOKOSA-N -1 1 322.365 0.159 10 0 DCAEMM CC(C)(NC(=O)N[C@@H]1CCCN2CCSC[C@@H]12)C(=O)[O-] ZINC000720479228 685313662 /nfs/dbraw/zinc/31/36/62/685313662.db2.gz BHLPLJJVXRMIHE-ZJUUUORDSA-N -1 1 301.412 0.729 10 0 DCAEMM O=C([N-]NC(=O)C1CC(=O)C1)c1cc(-c2cccs2)[nH]n1 ZINC000183575377 1185194603 /nfs/dbraw/zinc/19/46/03/1185194603.db2.gz WDOZRGQKORGPHC-UHFFFAOYSA-N -1 1 304.331 0.878 10 0 DCAEMM CNC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1cccnc1F ZINC000401840972 774068283 /nfs/dbraw/zinc/06/82/83/774068283.db2.gz RIFKEJDJDYGCCR-VIFPVBQESA-N -1 1 303.359 0.660 10 0 DCAEMM NS(=O)(=O)c1cc(Br)cc2c(=O)cc([O-])[nH]c21 ZINC000088613858 185259917 /nfs/dbraw/zinc/25/99/17/185259917.db2.gz IFKHELPAGJPQOQ-UHFFFAOYSA-N -1 1 319.136 0.644 10 0 DCAEMM Cc1ccc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])s1 ZINC000021505783 182275694 /nfs/dbraw/zinc/27/56/94/182275694.db2.gz KRRLRUAGGXQEFV-SECBINFHSA-N -1 1 315.376 0.754 10 0 DCAEMM Cc1cc(N2CCC(C(=O)[O-])CC2)nc(N2CCOCC2)n1 ZINC000040351051 183055666 /nfs/dbraw/zinc/05/56/66/183055666.db2.gz MAWAAJIZLNZMBJ-UHFFFAOYSA-N -1 1 306.366 0.923 10 0 DCAEMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CC(F)(F)C[C@H]1CO ZINC000364657281 397231248 /nfs/dbraw/zinc/23/12/48/397231248.db2.gz MAPPQPRAQVXRDL-QMMMGPOBSA-N -1 1 309.272 0.765 10 0 DCAEMM Cc1nnc(-c2cccc(C(=O)NC3(c4nn[n-]n4)CC3)c2)o1 ZINC000574617557 397283240 /nfs/dbraw/zinc/28/32/40/397283240.db2.gz DCNODWFBWNYYNT-UHFFFAOYSA-N -1 1 311.305 0.977 10 0 DCAEMM Cn1[n-]c(CN2C(=O)N[C@](C)(c3cccs3)C2=O)nc1=O ZINC000329792737 159119911 /nfs/dbraw/zinc/11/99/11/159119911.db2.gz VGKAUXUUMVAQOJ-GFCCVEGCSA-N -1 1 307.335 0.342 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOCC[C@@H]2C)o1 ZINC000367660696 159349509 /nfs/dbraw/zinc/34/95/09/159349509.db2.gz NNNKSZRCZKTNMO-VIFPVBQESA-N -1 1 302.352 0.439 10 0 DCAEMM Cn1cccc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c1=O ZINC000408067166 160027600 /nfs/dbraw/zinc/02/76/00/160027600.db2.gz JCRJKNNWUUPXCY-VIFPVBQESA-N -1 1 304.306 0.494 10 0 DCAEMM Cc1[n-][nH]c(=O)c1CC(=O)N1CC[C@]2(C1)CCCN(C)C2=O ZINC000067847360 415388074 /nfs/dbraw/zinc/38/80/74/415388074.db2.gz SUQWSGYSYKGWJY-HNNXBMFYSA-N -1 1 306.366 0.437 10 0 DCAEMM COC(=O)C(C)(C)CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000150842612 196593211 /nfs/dbraw/zinc/59/32/11/196593211.db2.gz RDKIYNWCUIAMEZ-UHFFFAOYSA-N -1 1 303.318 0.852 10 0 DCAEMM Cn1ncc2c1[n-]cc(C(=O)N[C@@H]1CCc3ncnn3C1)c2=O ZINC000119247838 415739361 /nfs/dbraw/zinc/73/93/61/415739361.db2.gz YHKAVCGPYNEASQ-MRVPVSSYSA-N -1 1 313.321 0.010 10 0 DCAEMM CC(C)n1ncc2cc(C(=O)NC3(c4nn[n-]n4)CC3)cnc21 ZINC000357063734 416029269 /nfs/dbraw/zinc/02/92/69/416029269.db2.gz YYYQRKNCIZKYIV-UHFFFAOYSA-N -1 1 312.337 0.944 10 0 DCAEMM NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000175556069 416109722 /nfs/dbraw/zinc/10/97/22/416109722.db2.gz JRHIEFOEFPQRID-ONGXEEELSA-N -1 1 314.345 0.697 10 0 DCAEMM COc1ccc2c(c1)OC[C@H]2CC(=O)NC1(c2nn[n-]n2)CC1 ZINC000558715447 416792407 /nfs/dbraw/zinc/79/24/07/416792407.db2.gz UKOSNODMCIWLFJ-SECBINFHSA-N -1 1 315.333 0.880 10 0 DCAEMM CC(=O)c1cc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)ccc1C ZINC000448113232 417060144 /nfs/dbraw/zinc/06/01/44/417060144.db2.gz JPUZDKOXZOFZGN-UHFFFAOYSA-N -1 1 322.346 0.972 10 0 DCAEMM CC(=O)c1cc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)ccc1C ZINC000448113232 417060148 /nfs/dbraw/zinc/06/01/48/417060148.db2.gz JPUZDKOXZOFZGN-UHFFFAOYSA-N -1 1 322.346 0.972 10 0 DCAEMM COC[C@]1(C(=O)[O-])CCCN1CCCS(=O)(=O)C(C)C ZINC000643879168 417409295 /nfs/dbraw/zinc/40/92/95/417409295.db2.gz LNLAATPRUZBHNW-ZDUSSCGKSA-N -1 1 307.412 0.765 10 0 DCAEMM COC[C@@]1(C(=O)[O-])CCCN1CCCS(=O)(=O)C(C)C ZINC000643879167 417409723 /nfs/dbraw/zinc/40/97/23/417409723.db2.gz LNLAATPRUZBHNW-CYBMUJFWSA-N -1 1 307.412 0.765 10 0 DCAEMM NS(=O)(=O)c1cccc(-c2cncs2)c1-c1nnn[n-]1 ZINC000584596405 337374243 /nfs/dbraw/zinc/37/42/43/337374243.db2.gz BEDOJMAHPWVNML-UHFFFAOYSA-N -1 1 308.348 0.638 10 0 DCAEMM NS(=O)(=O)c1cccc(-c2cncs2)c1-c1nn[n-]n1 ZINC000584596405 337374244 /nfs/dbraw/zinc/37/42/44/337374244.db2.gz BEDOJMAHPWVNML-UHFFFAOYSA-N -1 1 308.348 0.638 10 0 DCAEMM NS(=O)(=O)c1cccc(-c2ccnc(F)c2)c1-c1nn[n-]n1 ZINC000584596425 337374255 /nfs/dbraw/zinc/37/42/55/337374255.db2.gz CRNBYVVOZZXRQD-UHFFFAOYSA-N -1 1 320.309 0.715 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)[C@H](OC)C2)o1 ZINC000187890099 522277720 /nfs/dbraw/zinc/27/77/20/522277720.db2.gz LYETWBNDSVGGEX-GXSJLCMTSA-N -1 1 316.379 0.685 10 0 DCAEMM CCNC(=O)c1ccc(=NCCC(=O)N2CCCCC2)[n-]n1 ZINC000388790330 546219412 /nfs/dbraw/zinc/21/94/12/546219412.db2.gz OEDORTPANFYZMR-UHFFFAOYSA-N -1 1 305.382 0.463 10 0 DCAEMM CNC(=O)[C@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)C(C)C ZINC000178925693 662027492 /nfs/dbraw/zinc/02/74/92/662027492.db2.gz GSUUUQRHGRKOOQ-SSDOTTSWSA-N -1 1 308.791 0.122 10 0 DCAEMM O=C(CN1CCCC[C@@H](O)C1=O)Nc1cc([O-])c(F)cc1F ZINC000909987907 663830200 /nfs/dbraw/zinc/83/02/00/663830200.db2.gz NUODVPPTIRKZDH-LLVKDONJSA-N -1 1 314.288 0.982 10 0 DCAEMM CC[C@]1(C(=O)[O-])CCCN([C@@H]2CS(=O)(=O)C[C@@H]2OC)C1 ZINC000696837020 954822038 /nfs/dbraw/zinc/82/20/38/954822038.db2.gz AOJJLHWMOUVDHW-MDZLAQPJSA-N -1 1 305.396 0.375 10 0 DCAEMM Cc1nc([C@@H](C)NS(=O)(=O)c2cc(C(=O)[O-])co2)n[nH]1 ZINC000694171923 976674634 /nfs/dbraw/zinc/67/46/34/976674634.db2.gz FFABESILSCVDRJ-RXMQYKEDSA-N -1 1 300.296 0.444 10 0 DCAEMM O=C(CNC(=O)c1nc2ccccc2c(=O)[n-]1)Nc1cccnc1 ZINC000101603716 395765603 /nfs/dbraw/zinc/76/56/03/395765603.db2.gz HYGLNZQRVOPSBF-UHFFFAOYSA-N -1 1 323.312 0.687 10 0 DCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000104035741 395776848 /nfs/dbraw/zinc/77/68/48/395776848.db2.gz IJIDFCTUHZTURB-GXFFZTMASA-N -1 1 318.377 0.866 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-][C@@H]2C[C@@H]3OCCC[C@@H]23)c1Cl ZINC000249992259 396013612 /nfs/dbraw/zinc/01/36/12/396013612.db2.gz ZZOGXGKMVZRISH-YIZRAAEISA-N -1 1 305.787 0.919 10 0 DCAEMM Cc1cncc(C=CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1 ZINC000378199892 397210019 /nfs/dbraw/zinc/21/00/19/397210019.db2.gz JRDUJLLAGVNKSN-JDGPPOGSSA-N -1 1 300.322 0.516 10 0 DCAEMM CCO[C@H]1C[C@@]([N-]S(=O)(=O)CCOC)(C(=O)OC)C1(C)C ZINC000444278755 397415538 /nfs/dbraw/zinc/41/55/38/397415538.db2.gz UVJLBXLNFSMHPR-GXFFZTMASA-N -1 1 323.411 0.299 10 0 DCAEMM COCCN1CCCN(C(=O)c2ccc([O-])cc2F)CC1=O ZINC000189307732 158550820 /nfs/dbraw/zinc/55/08/20/158550820.db2.gz SUQDZBFGWCCDIB-UHFFFAOYSA-N -1 1 310.325 0.852 10 0 DCAEMM Cc1cnc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c([O-])c1 ZINC000408223367 160063231 /nfs/dbraw/zinc/06/32/31/160063231.db2.gz ISTJBYURFWWRTA-CHWSQXEVSA-N -1 1 305.378 0.888 10 0 DCAEMM Cc1ccc2c([O-])c(C(=O)N3CCO[C@@H](CO)C3)cnc2n1 ZINC000408371610 160094034 /nfs/dbraw/zinc/09/40/34/160094034.db2.gz ZOOHIHCHZVTYIG-SNVBAGLBSA-N -1 1 303.318 0.477 10 0 DCAEMM Cc1ccc2c(=O)c(C(=O)N3CCO[C@@H](CO)C3)c[n-]c2n1 ZINC000408371610 160094035 /nfs/dbraw/zinc/09/40/35/160094035.db2.gz ZOOHIHCHZVTYIG-SNVBAGLBSA-N -1 1 303.318 0.477 10 0 DCAEMM Cc1ccc2c([O-])c(C(=O)N3CCO[C@H]([C@H](C)O)C3)cnc2n1 ZINC000408465216 160114465 /nfs/dbraw/zinc/11/44/65/160114465.db2.gz GVBZWUSQSVJKQX-GWCFXTLKSA-N -1 1 317.345 0.866 10 0 DCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCO[C@H]([C@H](C)O)C1)c2=O ZINC000408465216 160114467 /nfs/dbraw/zinc/11/44/67/160114467.db2.gz GVBZWUSQSVJKQX-GWCFXTLKSA-N -1 1 317.345 0.866 10 0 DCAEMM O=C(CCNC(=O)c1ccc(F)cc1)NC1(c2nn[n-]n2)CC1 ZINC000357048301 416025619 /nfs/dbraw/zinc/02/56/19/416025619.db2.gz GMQSFCXKRKOSIN-UHFFFAOYSA-N -1 1 318.312 0.264 10 0 DCAEMM O=C(CN1C(=O)CCc2ccccc21)NC1(c2nn[n-]n2)CC1 ZINC000357067050 416028099 /nfs/dbraw/zinc/02/80/99/416028099.db2.gz CQQZHNYAUPMSON-UHFFFAOYSA-N -1 1 312.333 0.284 10 0 DCAEMM CO[C@H]1CCC[C@H](CC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1 ZINC000359374035 416344065 /nfs/dbraw/zinc/34/40/65/416344065.db2.gz VVFFVSADWYFBEG-IUCAKERBSA-N -1 1 316.383 0.742 10 0 DCAEMM CO[C@H]1CCC[C@H](CC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC000359374035 416344067 /nfs/dbraw/zinc/34/40/67/416344067.db2.gz VVFFVSADWYFBEG-IUCAKERBSA-N -1 1 316.383 0.742 10 0 DCAEMM CCOC(=O)C(C)(C)CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000558495329 416772531 /nfs/dbraw/zinc/77/25/31/416772531.db2.gz NRNZKGJGDNHKJO-UHFFFAOYSA-N -1 1 318.355 0.126 10 0 DCAEMM CCOC(=O)C(C)(C)CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000558495329 416772542 /nfs/dbraw/zinc/77/25/42/416772542.db2.gz NRNZKGJGDNHKJO-UHFFFAOYSA-N -1 1 318.355 0.126 10 0 DCAEMM CO[C@@H](C)c1nc(=NCCC(=O)N2CCOCC2)s[n-]1 ZINC000380046689 417084823 /nfs/dbraw/zinc/08/48/23/417084823.db2.gz BCRMHCFHBFXCEC-VIFPVBQESA-N -1 1 300.384 0.328 10 0 DCAEMM Cc1noc([C@H]2CN(C(=O)c3ncc(C)cc3[O-])CCN2C)n1 ZINC000408063566 417135921 /nfs/dbraw/zinc/13/59/21/417135921.db2.gz RDMJTAUXJJMMTB-LLVKDONJSA-N -1 1 317.349 0.916 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000570770712 417388737 /nfs/dbraw/zinc/38/87/37/417388737.db2.gz URPJAYWLPOQFRI-SNVBAGLBSA-N -1 1 312.333 0.358 10 0 DCAEMM C/C=C\C[C@@H]([N-]S(=O)(=O)Cc1ccon1)C(=O)OCC ZINC000440089636 271648527 /nfs/dbraw/zinc/64/85/27/271648527.db2.gz DQRPLVUNENKHRO-USEMIUTHSA-N -1 1 302.352 0.992 10 0 DCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCC[C@@H](C)O ZINC000228070276 521567932 /nfs/dbraw/zinc/56/79/32/521567932.db2.gz TWHOVWGBSWBLAJ-MRVPVSSYSA-N -1 1 305.356 0.026 10 0 DCAEMM C[C@@H](C(=O)[O-])N(C)C(=O)N[C@H]1CCCN2CCSC[C@@H]12 ZINC000720482217 685313909 /nfs/dbraw/zinc/31/39/09/685313909.db2.gz KAOVKXMMABNUDW-DCAQKATOSA-N -1 1 301.412 0.681 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(=O)[C@@H](C)C2)o1 ZINC000275231845 212213758 /nfs/dbraw/zinc/21/37/58/212213758.db2.gz JNSRXMUXPNJZFM-QMMMGPOBSA-N -1 1 300.336 0.239 10 0 DCAEMM O=C(NCCCc1nc(=O)[n-][nH]1)[C@@H]1CCCN1c1nccs1 ZINC000164350777 132150872 /nfs/dbraw/zinc/15/08/72/132150872.db2.gz ZNQXILBNRUWKKQ-VIFPVBQESA-N -1 1 322.394 0.272 10 0 DCAEMM CN(CC(F)(F)F)C(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)[O-] ZINC000092779070 395733192 /nfs/dbraw/zinc/73/31/92/395733192.db2.gz NLWVDLQWQBLECF-QMMMGPOBSA-N -1 1 306.244 0.835 10 0 DCAEMM O=C(c1ccc(Br)c([O-])c1)N1CCO[C@@H](CO)C1 ZINC000231354753 395884482 /nfs/dbraw/zinc/88/44/82/395884482.db2.gz HUYIRGYLWXHSGO-SECBINFHSA-N -1 1 316.151 0.988 10 0 DCAEMM Cn1ncc2c1[n-]cc(C(=O)N[C@@H]1C[C@H]3OCCC[C@@H]13)c2=O ZINC000249256822 396004735 /nfs/dbraw/zinc/00/47/35/396004735.db2.gz YMVNOKKARJDBKR-XXILOJSOSA-N -1 1 302.334 0.971 10 0 DCAEMM CC[N@@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2ccc(C)o2)C1 ZINC000263499762 396219084 /nfs/dbraw/zinc/21/90/84/396219084.db2.gz SMCFUWFMVVAPBJ-UHFFFAOYSA-N -1 1 316.379 0.804 10 0 DCAEMM COC(=O)C1(CNC(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000186506697 396351491 /nfs/dbraw/zinc/35/14/91/396351491.db2.gz ROGUOQWRZIQMLB-UHFFFAOYSA-N -1 1 301.302 0.606 10 0 DCAEMM CCN(C)C(=O)[C@@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000191494431 396420844 /nfs/dbraw/zinc/42/08/44/396420844.db2.gz 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/nfs/dbraw/zinc/09/39/62/160093962.db2.gz DHMBUGHYLLAWFY-UHFFFAOYSA-N -1 1 318.333 0.252 10 0 DCAEMM CC(C)CCS(=O)(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)[O-] ZINC000092778449 415542333 /nfs/dbraw/zinc/54/23/33/415542333.db2.gz OCGIAAMLFOKIJP-NSHDSACASA-N -1 1 301.368 0.597 10 0 DCAEMM C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000357042109 416025222 /nfs/dbraw/zinc/02/52/22/416025222.db2.gz GBOSJPAGPUKAPD-KWQFWETISA-N -1 1 301.306 0.534 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)c1ccc(Cn2cccn2)cc1 ZINC000357068371 416028637 /nfs/dbraw/zinc/02/86/37/416028637.db2.gz HDLDOKQVHKYIMT-UHFFFAOYSA-N -1 1 309.333 0.864 10 0 DCAEMM COc1ccc(-c2nc(CS(=O)(=O)c3ncn[n-]3)no2)cc1 ZINC000360090366 416370140 /nfs/dbraw/zinc/37/01/40/416370140.db2.gz ZFFMTXXGOCAUDW-UHFFFAOYSA-N -1 1 321.318 0.837 10 0 DCAEMM COc1ccc(-c2nc(CS(=O)(=O)c3nc[n-]n3)no2)cc1 ZINC000360090366 416370141 /nfs/dbraw/zinc/37/01/41/416370141.db2.gz ZFFMTXXGOCAUDW-UHFFFAOYSA-N -1 1 321.318 0.837 10 0 DCAEMM COc1ccc(C(=O)NC2(c3nn[n-]n3)CC2)c(C)c1OC ZINC000565675452 417007878 /nfs/dbraw/zinc/00/78/78/417007878.db2.gz VJWMEFPLNLYTBF-UHFFFAOYSA-N -1 1 303.322 0.944 10 0 DCAEMM Cc1noc([C@@H]2CN(C(=O)c3ncc(C)cc3[O-])CCN2C)n1 ZINC000408063569 417138498 /nfs/dbraw/zinc/13/84/98/417138498.db2.gz RDMJTAUXJJMMTB-NSHDSACASA-N -1 1 317.349 0.916 10 0 DCAEMM O=C([N-]S(=O)(=O)[C@H]1CCOC1)[C@@H](C1CC1)N1CCCC1 ZINC000408485218 303819560 /nfs/dbraw/zinc/81/95/60/303819560.db2.gz PUWFCQWIGHQYLI-NWDGAFQWSA-N -1 1 302.396 0.096 10 0 DCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCC[C@H](C)O ZINC000228070285 521568257 /nfs/dbraw/zinc/56/82/57/521568257.db2.gz TWHOVWGBSWBLAJ-QMMMGPOBSA-N -1 1 305.356 0.026 10 0 DCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC1(CCO)CC1 ZINC000157294623 521569090 /nfs/dbraw/zinc/56/90/90/521569090.db2.gz NWJKPSSCVOWURR-UHFFFAOYSA-N -1 1 317.367 0.027 10 0 DCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCC1(C)COC1 ZINC000112617502 527114332 /nfs/dbraw/zinc/11/43/32/527114332.db2.gz KBRVHARFCGQMAD-UHFFFAOYSA-N -1 1 304.350 0.335 10 0 DCAEMM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)c1[nH]nc2c1CCCC2 ZINC000180239709 665428113 /nfs/dbraw/zinc/42/81/13/665428113.db2.gz NRLWXCWJXHMROW-VIFPVBQESA-N -1 1 313.379 0.527 10 0 DCAEMM CCC(CC)([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)C(N)=O ZINC000161212058 658359083 /nfs/dbraw/zinc/35/90/83/658359083.db2.gz ALJNWRYHPXHRSD-UHFFFAOYSA-N -1 1 322.818 0.704 10 0 DCAEMM CCC[C@@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)C(=O)[O-] ZINC000262274802 658929686 /nfs/dbraw/zinc/92/96/86/658929686.db2.gz JFNDVSLZWMWSEQ-CYBMUJFWSA-N -1 1 320.393 0.817 10 0 DCAEMM C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000180873738 396235415 /nfs/dbraw/zinc/23/54/15/396235415.db2.gz SOHIBWVHNJCOQN-ZJUUUORDSA-N -1 1 314.345 0.649 10 0 DCAEMM CCN1CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1=O ZINC000190838980 396411953 /nfs/dbraw/zinc/41/19/53/396411953.db2.gz DPDZTMRRZLZVMH-UHFFFAOYSA-N -1 1 314.345 0.618 10 0 DCAEMM CC(=O)N1CCCC[C@H]1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000560606756 396621353 /nfs/dbraw/zinc/62/13/53/396621353.db2.gz TXCSROAUVJOEIG-NEPJUHHUSA-N -1 1 306.370 0.307 10 0 DCAEMM O=C(NCc1nn[n-]n1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000599344430 397414694 /nfs/dbraw/zinc/41/46/94/397414694.db2.gz LCVBKBNYCFCVFB-LLVKDONJSA-N -1 1 316.321 0.247 10 0 DCAEMM CN1CC[C@@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C1=O ZINC000132753981 158314214 /nfs/dbraw/zinc/31/42/14/158314214.db2.gz KGTWJBADITWFDW-SECBINFHSA-N -1 1 306.746 0.988 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCO[C@H]2C2CC2)c1Cl ZINC000230310930 158623528 /nfs/dbraw/zinc/62/35/28/158623528.db2.gz ZTUHHTIBFSGGPE-IUCAKERBSA-N -1 1 305.787 0.919 10 0 DCAEMM Cc1nnc([C@H]2CN(C(=O)c3ncc(C)cc3[O-])CCO2)[nH]1 ZINC000408229022 160064166 /nfs/dbraw/zinc/06/41/66/160064166.db2.gz LVTOXVMJNFOSLR-LLVKDONJSA-N -1 1 303.322 0.736 10 0 DCAEMM Cc1nc([C@H]2CN(C(=O)c3ncc(C)cc3[O-])CCO2)n[nH]1 ZINC000408229022 160064167 /nfs/dbraw/zinc/06/41/67/160064167.db2.gz LVTOXVMJNFOSLR-LLVKDONJSA-N -1 1 303.322 0.736 10 0 DCAEMM C[C@@H](CO[C@H]1CCOC1)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000119920945 286949961 /nfs/dbraw/zinc/94/99/61/286949961.db2.gz VLKGMDKXLNWYNC-QWRGUYRKSA-N -1 1 317.345 0.847 10 0 DCAEMM Cc1ccc2c([n-]cc(C(=O)NCCNC(=O)C3CC3)c2=O)[nH+]1 ZINC000192663959 287059397 /nfs/dbraw/zinc/05/93/97/287059397.db2.gz MBDMQBYQYSDMME-UHFFFAOYSA-N -1 1 314.345 0.900 10 0 DCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)NCCNC(=O)C1CC1)c2=O ZINC000192663959 287059403 /nfs/dbraw/zinc/05/94/03/287059403.db2.gz MBDMQBYQYSDMME-UHFFFAOYSA-N -1 1 314.345 0.900 10 0 DCAEMM Cn1cc(C(N)=O)cc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000125442317 415867015 /nfs/dbraw/zinc/86/70/15/415867015.db2.gz OEBUAQSABZZGHT-UHFFFAOYSA-N -1 1 302.216 0.513 10 0 DCAEMM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)[C@@H](C1CC1)N1CCCC1 ZINC000126354733 415872591 /nfs/dbraw/zinc/87/25/91/415872591.db2.gz IFLBYFRZRZXWRY-CHWSQXEVSA-N -1 1 316.423 0.486 10 0 DCAEMM CS(=O)(=O)c1cc(C(=O)NC2(c3nn[n-]n3)CC2)cs1 ZINC000357052005 416027707 /nfs/dbraw/zinc/02/77/07/416027707.db2.gz QHVAPXJPDDDAJZ-UHFFFAOYSA-N -1 1 313.364 0.084 10 0 DCAEMM CCn1cc(-c2n[nH]cc2C(=O)NC2(c3nn[n-]n3)CC2)cn1 ZINC000357066188 416029120 /nfs/dbraw/zinc/02/91/20/416029120.db2.gz GWBATWLKMKIAQY-UHFFFAOYSA-N -1 1 313.325 0.225 10 0 DCAEMM CO[C@@H]1CCC[C@@H](CC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1 ZINC000359374037 416343772 /nfs/dbraw/zinc/34/37/72/416343772.db2.gz VVFFVSADWYFBEG-RKDXNWHRSA-N -1 1 316.383 0.742 10 0 DCAEMM CO[C@@H]1CCC[C@@H](CC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC000359374037 416343774 /nfs/dbraw/zinc/34/37/74/416343774.db2.gz VVFFVSADWYFBEG-RKDXNWHRSA-N -1 1 316.383 0.742 10 0 DCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@H](CO)C1CC1 ZINC000359815479 416360266 /nfs/dbraw/zinc/36/02/66/416360266.db2.gz BHSXIHGUYJTRPM-GFCCVEGCSA-N -1 1 318.377 0.729 10 0 DCAEMM CC(=O)N[C@@H]1CCCN(CC(=O)[N-]OCc2ccccc2)C1 ZINC000119343444 667118776 /nfs/dbraw/zinc/11/87/76/667118776.db2.gz GBSOWOUCSQTOAL-OAHLLOKOSA-N -1 1 305.378 0.835 10 0 DCAEMM CC[C@H](NC(=O)N[C@@H]1CCCN2CCSC[C@@H]12)C(=O)[O-] ZINC000720479762 685313893 /nfs/dbraw/zinc/31/38/93/685313893.db2.gz BTZSMWQLLGXQMR-AXFHLTTASA-N -1 1 301.412 0.729 10 0 DCAEMM COC[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)C[C@@H](C)O1 ZINC000190426416 237431814 /nfs/dbraw/zinc/43/18/14/237431814.db2.gz ZCZHABDWGRKEPT-MNOVXSKESA-N -1 1 317.345 0.799 10 0 DCAEMM NC(=O)CC[C@H](NC(=O)c1ccc(O)c(Cl)c1)C(=O)[O-] ZINC000019997030 182175466 /nfs/dbraw/zinc/17/54/66/182175466.db2.gz IGYLPSBECXRMEB-QMMMGPOBSA-N -1 1 300.698 0.494 10 0 DCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H]1CCCOC1 ZINC000038044645 182979260 /nfs/dbraw/zinc/97/92/60/182979260.db2.gz JDHONOTZIBTGLQ-SECBINFHSA-N -1 1 317.367 0.291 10 0 DCAEMM CC(C)[C@H]1C(=O)NCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000104766558 194035898 /nfs/dbraw/zinc/03/58/98/194035898.db2.gz HHLJBSIAHHEECV-LBPRGKRZSA-N -1 1 314.345 0.520 10 0 DCAEMM CCOC(=O)c1ccc(CS(=O)(=O)c2nc(N)n[n-]2)cc1 ZINC000008015918 395683779 /nfs/dbraw/zinc/68/37/79/395683779.db2.gz ACDLJFROJCHFHQ-UHFFFAOYSA-N -1 1 310.335 0.538 10 0 DCAEMM CCOC(=O)c1ccc(CS(=O)(=O)c2n[n-]c(N)n2)cc1 ZINC000008015918 395683780 /nfs/dbraw/zinc/68/37/80/395683780.db2.gz ACDLJFROJCHFHQ-UHFFFAOYSA-N -1 1 310.335 0.538 10 0 DCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]1O ZINC000089169497 395708944 /nfs/dbraw/zinc/70/89/44/395708944.db2.gz UJQNCFJYMITNIK-WCBMZHEXSA-N -1 1 317.367 0.026 10 0 DCAEMM C[C@@H](CO)Sc1nc[n-]c(=O)c1I ZINC000165996895 396088822 /nfs/dbraw/zinc/08/88/22/396088822.db2.gz KKNPTTMBJNMGDF-BYPYZUCNSA-N -1 1 312.132 0.847 10 0 DCAEMM Cc1ccc2c([O-])c(C(=O)N3CC(=O)N[C@H](C)C3)cnc2n1 ZINC000408462470 292304148 /nfs/dbraw/zinc/30/41/48/292304148.db2.gz DFCOUIBWKYJNRH-SECBINFHSA-N -1 1 300.318 0.604 10 0 DCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC(=O)N[C@H](C)C1)c2=O ZINC000408462470 292304150 /nfs/dbraw/zinc/30/41/50/292304150.db2.gz DFCOUIBWKYJNRH-SECBINFHSA-N -1 1 300.318 0.604 10 0 DCAEMM CC(=O)c1csc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC000359295589 159263891 /nfs/dbraw/zinc/26/38/91/159263891.db2.gz VWZDTXFSUMTENK-UHFFFAOYSA-N -1 1 314.348 0.725 10 0 DCAEMM CC(=O)c1csc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c1 ZINC000359295589 159263893 /nfs/dbraw/zinc/26/38/93/159263893.db2.gz VWZDTXFSUMTENK-UHFFFAOYSA-N -1 1 314.348 0.725 10 0 DCAEMM C[C@H](CO[C@H]1CCOC1)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000119921074 286950075 /nfs/dbraw/zinc/95/00/75/286950075.db2.gz VLKGMDKXLNWYNC-MNOVXSKESA-N -1 1 317.345 0.847 10 0 DCAEMM C[C@@]1(NC(=O)c2nc3ccccc3c(=O)[n-]2)CCS(=O)(=O)C1 ZINC000131629749 287001329 /nfs/dbraw/zinc/00/13/29/287001329.db2.gz QMGNEHPCRZFAKY-CQSZACIVSA-N -1 1 321.358 0.230 10 0 DCAEMM Cc1noc([C@H]2COCCN2C(=O)c2ccc3[nH]nnc3c2)n1 ZINC000121135075 415793093 /nfs/dbraw/zinc/79/30/93/415793093.db2.gz SGTFYZBYWWFEMY-GFCCVEGCSA-N -1 1 314.305 0.863 10 0 DCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@@H](CO)C1CC1 ZINC000359815487 416360175 /nfs/dbraw/zinc/36/01/75/416360175.db2.gz BHSXIHGUYJTRPM-LBPRGKRZSA-N -1 1 318.377 0.729 10 0 DCAEMM COC(=O)c1cccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)n1 ZINC000532793387 416456438 /nfs/dbraw/zinc/45/64/38/416456438.db2.gz PRFNJKZFZVUQKH-VIFPVBQESA-N -1 1 316.321 0.401 10 0 DCAEMM CCn1cc(C(=O)NC2(c3nn[n-]n3)CC2)c(C(F)(F)F)n1 ZINC000435889141 416539098 /nfs/dbraw/zinc/53/90/98/416539098.db2.gz RLEQLNWNOYLVJW-UHFFFAOYSA-N -1 1 315.259 0.854 10 0 DCAEMM Cc1cc(C(=O)N(C)CCC[NH+](C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000539416977 416580667 /nfs/dbraw/zinc/58/06/67/416580667.db2.gz WWWOLRJLYABYAZ-UHFFFAOYSA-N -1 1 319.365 0.768 10 0 DCAEMM CC(C)(C)OC(=O)NCCN1CCCOC[C@@H]1c1nn[n-]n1 ZINC000616644836 417087688 /nfs/dbraw/zinc/08/76/88/417087688.db2.gz FSYWOAQZKLPVJK-SNVBAGLBSA-N -1 1 312.374 0.488 10 0 DCAEMM O=C(Cn1ncc2ccccc21)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000363517958 262118810 /nfs/dbraw/zinc/11/88/10/262118810.db2.gz PPRIXJDHRXZFML-GFCCVEGCSA-N -1 1 313.321 0.150 10 0 DCAEMM Cn1[n-]c(CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)nc1=O ZINC000329462282 279299815 /nfs/dbraw/zinc/29/98/15/279299815.db2.gz TXGHEVHFIZKAEL-OAHLLOKOSA-N -1 1 313.317 0.206 10 0 DCAEMM CCCN(CCC)S(=O)(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000037420125 337363783 /nfs/dbraw/zinc/36/37/83/337363783.db2.gz OXOGHZGSPDEBPB-LLVKDONJSA-N -1 1 318.399 0.362 10 0 DCAEMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1C(=O)NCC[C@@H]1C ZINC000195476159 527669487 /nfs/dbraw/zinc/66/94/87/527669487.db2.gz BHBLWJYBQSXHQB-XPUUQOCRSA-N -1 1 320.802 0.185 10 0 DCAEMM C[C@@H](C(=O)[O-])N(C)C(=O)N[C@@H]1CCCN2CCSC[C@H]12 ZINC000720482225 685313448 /nfs/dbraw/zinc/31/34/48/685313448.db2.gz KAOVKXMMABNUDW-HBNTYKKESA-N -1 1 301.412 0.681 10 0 DCAEMM CC[C@H](NC(=O)N[C@@H]1CCCN2CCSC[C@H]12)C(=O)[O-] ZINC000720479766 685313821 /nfs/dbraw/zinc/31/38/21/685313821.db2.gz BTZSMWQLLGXQMR-HBNTYKKESA-N -1 1 301.412 0.729 10 0 DCAEMM C[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])co1)N1CCCC1 ZINC000694176932 976676077 /nfs/dbraw/zinc/67/60/77/976676077.db2.gz LGUJWQGAYAWXSI-SECBINFHSA-N -1 1 302.352 0.740 10 0 DCAEMM C[C@@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000282652426 217154314 /nfs/dbraw/zinc/15/43/14/217154314.db2.gz UUBDQMHFNLNXIR-OIBJUYFYSA-N -1 1 304.318 0.910 10 0 DCAEMM COc1ccc(S(=O)(=O)CCO)cc1-n1[n-]c(C)cc1=O ZINC000033608965 395717598 /nfs/dbraw/zinc/71/75/98/395717598.db2.gz RXRCCQQVBOVNFJ-UHFFFAOYSA-N -1 1 312.347 0.574 10 0 DCAEMM CCC[C@H](NCC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000038421000 395731958 /nfs/dbraw/zinc/73/19/58/395731958.db2.gz RJRSSQZBHYXMSC-STQMWFEESA-N -1 1 321.377 0.042 10 0 DCAEMM CCn1c(C)nnc1CS(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195175950 395819705 /nfs/dbraw/zinc/81/97/05/395819705.db2.gz GMRCBBUTNLNRFC-UHFFFAOYSA-N -1 1 312.399 0.996 10 0 DCAEMM CCn1c(C)nnc1CS(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195175950 395819706 /nfs/dbraw/zinc/81/97/06/395819706.db2.gz GMRCBBUTNLNRFC-UHFFFAOYSA-N -1 1 312.399 0.996 10 0 DCAEMM CCn1c(C)nnc1CS(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195175950 395819707 /nfs/dbraw/zinc/81/97/07/395819707.db2.gz GMRCBBUTNLNRFC-UHFFFAOYSA-N -1 1 312.399 0.996 10 0 DCAEMM Cn1ccnc1-c1cc(NC(=O)CCCS(C)(=O)=O)[nH]n1 ZINC000119802763 395875740 /nfs/dbraw/zinc/87/57/40/395875740.db2.gz ZTGBTTCUSYCKRT-UHFFFAOYSA-N -1 1 311.367 0.574 10 0 DCAEMM O=C(N[C@H]1CCCN(c2ncc[nH]c2=O)C1)c1ncccc1[O-] ZINC000275628093 395985684 /nfs/dbraw/zinc/98/56/84/395985684.db2.gz JNXGAUMGAOXKTF-JTQLQIEISA-N -1 1 315.333 0.682 10 0 DCAEMM CS[C@@H](CO)[C@@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000153088459 396020366 /nfs/dbraw/zinc/02/03/66/396020366.db2.gz LNWBDBBPQNIWIQ-KCJUWKMLSA-N -1 1 307.375 0.765 10 0 DCAEMM C[C@H](CO)Sc1nc[n-]c(=O)c1I ZINC000165997012 396088437 /nfs/dbraw/zinc/08/84/37/396088437.db2.gz KKNPTTMBJNMGDF-SCSAIBSYSA-N -1 1 312.132 0.847 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)[C@@H](OC)C2)o1 ZINC000187890044 396375886 /nfs/dbraw/zinc/37/58/86/396375886.db2.gz LYETWBNDSVGGEX-ONGXEEELSA-N -1 1 316.379 0.685 10 0 DCAEMM CC(=O)N1CCCC[C@H]1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000560606758 396621392 /nfs/dbraw/zinc/62/13/92/396621392.db2.gz TXCSROAUVJOEIG-RYUDHWBXSA-N -1 1 306.370 0.307 10 0 DCAEMM CC[C@H](NS(=O)(=O)C[C@H]1CNCCO1)c1nccs1 ZINC000382380931 397274353 /nfs/dbraw/zinc/27/43/53/397274353.db2.gz RHDAGSGHICJSPJ-ZJUUUORDSA-N -1 1 305.425 0.502 10 0 DCAEMM Cn1[n-]c(CN2C(=O)N[C@](C)(c3ccsc3)C2=O)nc1=O ZINC000329279229 159079121 /nfs/dbraw/zinc/07/91/21/159079121.db2.gz LNSDLNRYBMLQJN-GFCCVEGCSA-N -1 1 307.335 0.342 10 0 DCAEMM COC[C@H]1C[C@H](OC)CN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000343510641 415622311 /nfs/dbraw/zinc/62/23/11/415622311.db2.gz BXKZESNLZAJCGL-MNOVXSKESA-N -1 1 317.345 0.799 10 0 DCAEMM Cc1noc([C@@H]2COCCN2C(=O)c2ccc3[nH]nnc3c2)n1 ZINC000121134911 415794727 /nfs/dbraw/zinc/79/47/27/415794727.db2.gz SGTFYZBYWWFEMY-LBPRGKRZSA-N -1 1 314.305 0.863 10 0 DCAEMM C[C@@H]1CCCN(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)C1 ZINC000172895057 416049268 /nfs/dbraw/zinc/04/92/68/416049268.db2.gz PLIKGSNFVMKGFM-SNVBAGLBSA-N -1 1 315.399 0.147 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCSCC2)o1 ZINC000299113797 416054318 /nfs/dbraw/zinc/05/43/18/416054318.db2.gz XXBONRLVFOOLDM-UHFFFAOYSA-N -1 1 304.393 0.767 10 0 DCAEMM Cc1nc(C)c(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)nc1C ZINC000545239512 416669858 /nfs/dbraw/zinc/66/98/58/416669858.db2.gz SLTHKSRMDLEXFK-NSHDSACASA-N -1 1 301.354 0.935 10 0 DCAEMM CC(C)C[C@@H](C)OCCC(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000446862067 416950203 /nfs/dbraw/zinc/95/02/03/416950203.db2.gz OUJAYAINPDQGLF-SECBINFHSA-N -1 1 318.399 0.988 10 0 DCAEMM CC(C)C[C@@H](C)OCCC(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000446862067 416950206 /nfs/dbraw/zinc/95/02/06/416950206.db2.gz OUJAYAINPDQGLF-SECBINFHSA-N -1 1 318.399 0.988 10 0 DCAEMM O=C([N-]S(=O)(=O)[C@H]1CCOC1)[C@H](C1CC1)N1CCCC1 ZINC000408485219 417164825 /nfs/dbraw/zinc/16/48/25/417164825.db2.gz PUWFCQWIGHQYLI-RYUDHWBXSA-N -1 1 302.396 0.096 10 0 DCAEMM CC(=O)Nc1cc(C(=O)NC2(c3nn[n-]n3)CC2)ccc1C ZINC000530347907 417570083 /nfs/dbraw/zinc/57/00/83/417570083.db2.gz JESAINUTFNQJJT-UHFFFAOYSA-N -1 1 300.322 0.886 10 0 DCAEMM CC(=O)NCCNC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000069557444 665600918 /nfs/dbraw/zinc/60/09/18/665600918.db2.gz JQSKWEMUGYKINW-UHFFFAOYSA-N -1 1 319.365 0.237 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-]CC2CCC(O)CC2)c1Cl ZINC000227681123 664537032 /nfs/dbraw/zinc/53/70/32/664537032.db2.gz JALQSDZWISADDN-UHFFFAOYSA-N -1 1 307.803 0.903 10 0 DCAEMM CO[C@](C)(CO)C[N-]S(=O)(=O)c1ccc(Cl)nc1F ZINC000702554611 666969281 /nfs/dbraw/zinc/96/92/81/666969281.db2.gz BTZGVIFRHVONQF-JTQLQIEISA-N -1 1 312.750 0.550 10 0 DCAEMM O=S(=O)([N-]C1COCCOC1)c1ccc(Cl)nc1F ZINC000703021824 667031083 /nfs/dbraw/zinc/03/10/83/667031083.db2.gz DEKIDXBFRIDQKP-UHFFFAOYSA-N -1 1 310.734 0.568 10 0 DCAEMM C/C(=C\C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1)C1CC1 ZINC000886096911 667731566 /nfs/dbraw/zinc/73/15/66/667731566.db2.gz OBELPBRGIDRZKE-YBHKSSGVSA-N -1 1 308.378 0.731 10 0 DCAEMM COC(=O)[C@@H](CO)[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000036818052 670197537 /nfs/dbraw/zinc/19/75/37/670197537.db2.gz AZOHESWTZINWRJ-XUIVZRPNSA-N -1 1 319.766 0.764 10 0 DCAEMM COCC(COC)S(=O)(=O)[N-][C@H]1CCCCC12OCCO2 ZINC000716018493 670226935 /nfs/dbraw/zinc/22/69/35/670226935.db2.gz XKGASNKFYJGGBX-LBPRGKRZSA-N -1 1 323.411 0.253 10 0 DCAEMM Cc1c(C(=O)OCCc2c(C)nc3[n-]cnn3c2=O)ccn1C ZINC000194859692 670459467 /nfs/dbraw/zinc/45/94/67/670459467.db2.gz XLVNSIXUUZRVPH-UHFFFAOYSA-N -1 1 315.333 0.772 10 0 DCAEMM C[C@H](C(=O)[O-])N(C)C(=O)N[C@@H]1CCCN2CCSC[C@H]12 ZINC000720482223 685313398 /nfs/dbraw/zinc/31/33/98/685313398.db2.gz KAOVKXMMABNUDW-GMTAPVOTSA-N -1 1 301.412 0.681 10 0 DCAEMM Cc1noc([C@@H]([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)C(C)C)n1 ZINC000193917227 1188106259 /nfs/dbraw/zinc/10/62/59/1188106259.db2.gz DFWFRSGAJAGKHI-WPRPVWTQSA-N -1 1 318.399 0.471 10 0 DCAEMM Cc1cn2nc(N3CCC(c4nc(=O)[n-][nH]4)CC3)sc2n1 ZINC000281028841 216031368 /nfs/dbraw/zinc/03/13/68/216031368.db2.gz TZNZEJXPYGJULH-UHFFFAOYSA-N -1 1 305.367 0.895 10 0 DCAEMM NS(=O)(=O)c1ccc(S(=O)(=O)c2ccc([O-])cc2)s1 ZINC000028014194 395695690 /nfs/dbraw/zinc/69/56/90/395695690.db2.gz GXOBTQMAAWWKKU-UHFFFAOYSA-N -1 1 319.385 0.934 10 0 DCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C1CCC(O)CC1 ZINC000037490191 395727397 /nfs/dbraw/zinc/72/73/97/395727397.db2.gz BTPBUWNSHLUOQN-UHFFFAOYSA-N -1 1 317.367 0.168 10 0 DCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](O)C1 ZINC000037732135 395729146 /nfs/dbraw/zinc/72/91/46/395729146.db2.gz NROGWSRYGPWUTD-RKDXNWHRSA-N -1 1 317.367 0.168 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)[C@@H](OC)C2)co1 ZINC000187805942 396374311 /nfs/dbraw/zinc/37/43/11/396374311.db2.gz MXLAQRSIEAOUMZ-KOLCDFICSA-N -1 1 316.379 0.685 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@H](OC)C2)co1 ZINC000187806003 396374885 /nfs/dbraw/zinc/37/48/85/396374885.db2.gz MXLAQRSIEAOUMZ-GXSJLCMTSA-N -1 1 316.379 0.685 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2[C@H](C)COC[C@H]2C)o1 ZINC000265908178 396349380 /nfs/dbraw/zinc/34/93/80/396349380.db2.gz XPKBXHWYFUZXGR-RKDXNWHRSA-N -1 1 302.352 0.437 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2[C@@H](C)COC[C@@H]2C)co1 ZINC000270169956 396462387 /nfs/dbraw/zinc/46/23/87/396462387.db2.gz KXKYNPOSKUQUFP-IUCAKERBSA-N -1 1 302.352 0.437 10 0 DCAEMM CC[C@@H](NS(=O)(=O)C[C@H]1CNCCO1)c1nccs1 ZINC000382380925 397273707 /nfs/dbraw/zinc/27/37/07/397273707.db2.gz RHDAGSGHICJSPJ-NXEZZACHSA-N -1 1 305.425 0.502 10 0 DCAEMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCN(C)C2)o1 ZINC000606303518 397678735 /nfs/dbraw/zinc/67/87/35/397678735.db2.gz QDHMSBRXCHRSCM-SECBINFHSA-N -1 1 302.352 0.439 10 0 DCAEMM COC[C@H]1C[C@@H](OC)CN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000343510639 415620969 /nfs/dbraw/zinc/62/09/69/415620969.db2.gz BXKZESNLZAJCGL-GHMZBOCLSA-N -1 1 317.345 0.799 10 0 DCAEMM O=C(NCCCc1ccccc1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000357046417 416024812 /nfs/dbraw/zinc/02/48/12/416024812.db2.gz KEAWRNAZARZTOP-UHFFFAOYSA-N -1 1 314.349 0.054 10 0 DCAEMM O=C(CCc1cccc2c1OCO2)NC1(c2nn[n-]n2)CC1 ZINC000357044191 416025041 /nfs/dbraw/zinc/02/50/41/416025041.db2.gz INFXISULHMVWLB-UHFFFAOYSA-N -1 1 301.306 0.667 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)c1ccnc(OCC(F)F)c1 ZINC000357046420 416025952 /nfs/dbraw/zinc/02/59/52/416025952.db2.gz KGDSKISYFGERRB-UHFFFAOYSA-N -1 1 310.264 0.658 10 0 DCAEMM NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000175556105 416109171 /nfs/dbraw/zinc/10/91/71/416109171.db2.gz JRHIEFOEFPQRID-KOLCDFICSA-N -1 1 314.345 0.697 10 0 DCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2OCCc3ccccc32)n1 ZINC000441830170 416681287 /nfs/dbraw/zinc/68/12/87/416681287.db2.gz YTEJBFJXPWHWDK-JTQLQIEISA-N -1 1 322.346 0.461 10 0 DCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2OCCc3ccccc32)[n-]1 ZINC000441830170 416681288 /nfs/dbraw/zinc/68/12/88/416681288.db2.gz YTEJBFJXPWHWDK-JTQLQIEISA-N -1 1 322.346 0.461 10 0 DCAEMM O=S(=O)(c1ccccc1)N1CCCO[C@H](c2nn[n-]n2)C1 ZINC000616650249 417087163 /nfs/dbraw/zinc/08/71/63/417087163.db2.gz CDXAJATTXSQCQV-NSHDSACASA-N -1 1 309.351 0.352 10 0 DCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2COc3ccccc32)n1 ZINC000525752188 417147667 /nfs/dbraw/zinc/14/76/67/417147667.db2.gz HFHIFANMXKEOCR-MRVPVSSYSA-N -1 1 308.319 0.323 10 0 DCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2COc3ccccc32)[n-]1 ZINC000525752188 417147674 /nfs/dbraw/zinc/14/76/74/417147674.db2.gz HFHIFANMXKEOCR-MRVPVSSYSA-N -1 1 308.319 0.323 10 0 DCAEMM NS(=O)(=O)c1cccc(-c2ccc(=O)[nH]c2)c1-c1nn[n-]n1 ZINC000584596501 337374239 /nfs/dbraw/zinc/37/42/39/337374239.db2.gz IKFVZDHIEIWFHK-UHFFFAOYSA-N -1 1 318.318 0.282 10 0 DCAEMM CCc1cccc2c(CC(=O)NN3CC(=O)[N-]C3=O)c[nH]c21 ZINC000171942608 664614111 /nfs/dbraw/zinc/61/41/11/664614111.db2.gz IJCWWIOLJYSSEE-UHFFFAOYSA-N -1 1 300.318 0.856 10 0 DCAEMM C[C@@H]1C[C@@H](CNS(=O)(=O)c2cc(C(=O)[O-])no2)[C@H](C)O1 ZINC000686352074 976108582 /nfs/dbraw/zinc/10/85/82/976108582.db2.gz OCUHQZRWJCKQQI-CSMHCCOUSA-N -1 1 304.324 0.465 10 0 DCAEMM COCCOc1ncccc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000357082597 239022839 /nfs/dbraw/zinc/02/28/39/239022839.db2.gz XKTXWDULJLKOHW-UHFFFAOYSA-N -1 1 304.310 0.039 10 0 DCAEMM Cc1ccc(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])s1 ZINC000021505781 182276153 /nfs/dbraw/zinc/27/61/53/182276153.db2.gz KRRLRUAGGXQEFV-VIFPVBQESA-N -1 1 315.376 0.754 10 0 DCAEMM C[C@@H](O)[C@@H](NS(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000037908939 395730027 /nfs/dbraw/zinc/73/00/27/395730027.db2.gz CMZUTZKBJUNUMA-SPGJFGJESA-N -1 1 313.253 0.216 10 0 DCAEMM O=C([C@@H]1CCCc2n[nH]cc21)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000283158719 396313099 /nfs/dbraw/zinc/31/30/99/396313099.db2.gz GFSGZRDCFJVVHO-NXEZZACHSA-N -1 1 316.365 0.647 10 0 DCAEMM C[C@@]1(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)CCCNC1=O ZINC000408068201 160027694 /nfs/dbraw/zinc/02/76/94/160027694.db2.gz RUEPZGBGGODHNR-YMTOWFKASA-N -1 1 308.338 0.398 10 0 DCAEMM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)[C@@H](C1CC1)N1CCCC1 ZINC000126354279 415873525 /nfs/dbraw/zinc/87/35/25/415873525.db2.gz IFLBYFRZRZXWRY-QWHCGFSZSA-N -1 1 316.423 0.486 10 0 DCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2CC(=O)c3ccccc32)n1 ZINC000357007604 416019603 /nfs/dbraw/zinc/01/96/03/416019603.db2.gz XMVDIUBPZOMSOK-SECBINFHSA-N -1 1 320.330 0.517 10 0 DCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2CC(=O)c3ccccc32)[n-]1 ZINC000357007604 416019606 /nfs/dbraw/zinc/01/96/06/416019606.db2.gz XMVDIUBPZOMSOK-SECBINFHSA-N -1 1 320.330 0.517 10 0 DCAEMM CC(C)NC(=O)c1ccc(C(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000357042149 416025581 /nfs/dbraw/zinc/02/55/81/416025581.db2.gz GEVSUJKYVRRABB-UHFFFAOYSA-N -1 1 314.349 0.757 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)c1ccncc1Br ZINC000357051104 416026853 /nfs/dbraw/zinc/02/68/53/416026853.db2.gz PBSQWMXSENHFHI-UHFFFAOYSA-N -1 1 309.127 0.776 10 0 DCAEMM CC(=O)Nc1ccc(O)c(C(=O)NC2(c3nn[n-]n3)CC2)c1 ZINC000357068378 416029277 /nfs/dbraw/zinc/02/92/77/416029277.db2.gz HGQPKHOBGJRODF-UHFFFAOYSA-N -1 1 302.294 0.283 10 0 DCAEMM CCCN(CCC)C(=O)CCC(=O)NC1(c2nn[n-]n2)CC1 ZINC000357077877 416032579 /nfs/dbraw/zinc/03/25/79/416032579.db2.gz OOECTNMVFCDGTQ-UHFFFAOYSA-N -1 1 308.386 0.734 10 0 DCAEMM Cc1nn2c(nc(C)cc2C)c1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000357094711 416034394 /nfs/dbraw/zinc/03/43/94/416034394.db2.gz ISZKIBAWXLACKV-UHFFFAOYSA-N -1 1 312.337 0.587 10 0 DCAEMM Cc1cc(C)n(CC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])n1 ZINC000357098670 416034640 /nfs/dbraw/zinc/03/46/40/416034640.db2.gz CYCBLUJNNZTKTJ-UHFFFAOYSA-N -1 1 324.362 0.492 10 0 DCAEMM O=C(Cn1cc2ccccc2n1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000539326109 416578234 /nfs/dbraw/zinc/57/82/34/416578234.db2.gz KKPUESJJACZQQS-GFCCVEGCSA-N -1 1 311.349 0.956 10 0 DCAEMM CCc1ccccc1CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000442617022 416700769 /nfs/dbraw/zinc/70/07/69/416700769.db2.gz HTFSQOPMDILQAZ-UHFFFAOYSA-N -1 1 308.363 0.952 10 0 DCAEMM CCc1ccccc1CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000442617022 416700774 /nfs/dbraw/zinc/70/07/74/416700774.db2.gz HTFSQOPMDILQAZ-UHFFFAOYSA-N -1 1 308.363 0.952 10 0 DCAEMM CC(C)(C)n1nnnc1CN1CCC(c2n[n-]c(=O)o2)CC1 ZINC000450920283 417280543 /nfs/dbraw/zinc/28/05/43/417280543.db2.gz VMNZSNHNCIVECP-UHFFFAOYSA-N -1 1 307.358 0.896 10 0 DCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)CC2CCSCC2)n1 ZINC000531890006 417649715 /nfs/dbraw/zinc/64/97/15/417649715.db2.gz AFOMIDMWBCMBOH-UHFFFAOYSA-N -1 1 304.397 0.680 10 0 DCAEMM CS(=O)(=O)c1nnc(NC(=O)CC2CCSCC2)[n-]1 ZINC000531890006 417649717 /nfs/dbraw/zinc/64/97/17/417649717.db2.gz AFOMIDMWBCMBOH-UHFFFAOYSA-N -1 1 304.397 0.680 10 0 DCAEMM COc1ccc2c(c1)[n-]cc(C(=O)N[C@@H]1CNC(=O)C1)c2=O ZINC000450455413 287451276 /nfs/dbraw/zinc/45/12/76/287451276.db2.gz UXAAPBAHRLPULK-QMMMGPOBSA-N -1 1 301.302 0.155 10 0 DCAEMM C[C@H](CN(C)C(=O)C(=O)c1cnn(C(C)(C)C)c1)c1nn[n-]n1 ZINC000358384260 271050346 /nfs/dbraw/zinc/05/03/46/271050346.db2.gz LATOXTCQHMOJCC-SECBINFHSA-N -1 1 319.369 0.596 10 0 DCAEMM Cc1cnc(C(=O)N2CCN(C)[C@@H](c3nccn3C)C2)c([O-])c1 ZINC000408106990 302332423 /nfs/dbraw/zinc/33/24/23/302332423.db2.gz MPSJKWUPXSYMIA-GFCCVEGCSA-N -1 1 315.377 0.958 10 0 DCAEMM CCNC(=O)C(C)(C)CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000162930577 528024815 /nfs/dbraw/zinc/02/48/15/528024815.db2.gz BWXMIVLPFUSORQ-UHFFFAOYSA-N -1 1 316.361 0.815 10 0 DCAEMM COc1ccccc1N1CCN(C(=O)Cc2nn[n-]n2)CC1 ZINC000169861525 663775638 /nfs/dbraw/zinc/77/56/38/663775638.db2.gz QWDHAUQTDQBTAK-UHFFFAOYSA-N -1 1 302.338 0.100 10 0 DCAEMM CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000272263863 209645446 /nfs/dbraw/zinc/64/54/46/209645446.db2.gz QWVVIQUWXSSVPK-QMMMGPOBSA-N -1 1 302.327 0.295 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC(C)(C)O2)o1 ZINC000187344971 200099141 /nfs/dbraw/zinc/09/91/41/200099141.db2.gz WZCBKICBCLAXOA-SECBINFHSA-N -1 1 316.379 0.875 10 0 DCAEMM COc1ccc(Br)cc1CC(=O)[N-]OCC(N)=O ZINC000089463770 395711968 /nfs/dbraw/zinc/71/19/68/395711968.db2.gz JETUMSFLXPZZCF-UHFFFAOYSA-N -1 1 317.139 0.533 10 0 DCAEMM O=C(CN1CC(=O)NC1=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000111538953 395809097 /nfs/dbraw/zinc/80/90/97/395809097.db2.gz BUYPZHRNTZGNGI-NSHDSACASA-N -1 1 320.349 0.085 10 0 DCAEMM CN1C[C@@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)CCC1=O ZINC000121260408 395883912 /nfs/dbraw/zinc/88/39/12/395883912.db2.gz ZTCXPLGVJPDUMS-VIFPVBQESA-N -1 1 300.318 0.274 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-][C@@H]2C[C@@H]3OCCC[C@H]23)c1Cl ZINC000190648887 396409505 /nfs/dbraw/zinc/40/95/05/396409505.db2.gz ZZOGXGKMVZRISH-HLTSFMKQSA-N -1 1 305.787 0.919 10 0 DCAEMM O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1cncc([O-])c1 ZINC000377956529 397170727 /nfs/dbraw/zinc/17/07/27/397170727.db2.gz ZQZHTHZJMBAJMC-ZDUSSCGKSA-N -1 1 305.334 0.297 10 0 DCAEMM COC(=O)[C@H]1CC[C@H](C(=O)N2CCC[C@H](c3nn[n-]n3)C2)CC1 ZINC000578635459 397463573 /nfs/dbraw/zinc/46/35/73/397463573.db2.gz DCPHUQQXABDROB-SRVKXCTJSA-N -1 1 321.381 0.885 10 0 DCAEMM O=C(N[C@H]1CCc2ncnn2C1)c1nc2ccccc2c(=O)[n-]1 ZINC000112712357 158144281 /nfs/dbraw/zinc/14/42/81/158144281.db2.gz WNIZQVNMMIYJFJ-VIFPVBQESA-N -1 1 310.317 0.259 10 0 DCAEMM O=C([N-]S(=O)(=O)c1cccnn1)c1[nH]nc2c1CCCCC2 ZINC000408500385 160120284 /nfs/dbraw/zinc/12/02/84/160120284.db2.gz NIVAHOAFIPSWOV-UHFFFAOYSA-N -1 1 321.362 0.587 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cccc(C)n2)o1 ZINC000130560511 196090991 /nfs/dbraw/zinc/09/09/91/196090991.db2.gz CCNCYVRIEHBBKV-UHFFFAOYSA-N -1 1 309.347 0.821 10 0 DCAEMM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000068371565 415395495 /nfs/dbraw/zinc/39/54/95/415395495.db2.gz CLHWYGDPHDZVLI-VHSXEESVSA-N -1 1 316.361 0.956 10 0 DCAEMM CC[C@@H](C)NC(=O)CCNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000079420207 415470987 /nfs/dbraw/zinc/47/09/87/415470987.db2.gz LSTNSFFBFANUTI-SNVBAGLBSA-N -1 1 316.361 0.958 10 0 DCAEMM CC[S@](=O)c1ccccc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000357059976 416027361 /nfs/dbraw/zinc/02/73/61/416027361.db2.gz UUCXRWDPCJDSGD-NRFANRHFSA-N -1 1 305.363 0.746 10 0 DCAEMM COC[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)C[C@@H](C)O1 ZINC000190426387 416280227 /nfs/dbraw/zinc/28/02/27/416280227.db2.gz ZCZHABDWGRKEPT-GHMZBOCLSA-N -1 1 317.345 0.799 10 0 DCAEMM O=C1[C@@H]([N-]c2noc(-c3ccccc3)n2)CCCN1CCO ZINC000583215404 416460032 /nfs/dbraw/zinc/46/00/32/416460032.db2.gz HKJNTBHESHSMQM-LBPRGKRZSA-N -1 1 302.334 1.132 10 0 DCAEMM O=S(=O)(c1ccccc1)N1CCO[C@H](c2nn[n-]n2)CC1 ZINC000616593097 417084255 /nfs/dbraw/zinc/08/42/55/417084255.db2.gz IQECYTJHVYXQAM-NSHDSACASA-N -1 1 309.351 0.352 10 0 DCAEMM C/C=C\C[C@H]([N-]S(=O)(=O)C[C@H]1CCCO1)C(=O)OCC ZINC000361407116 261922039 /nfs/dbraw/zinc/92/20/39/261922039.db2.gz CKOQSXCWDLKJRQ-MEPZIYLKSA-N -1 1 305.396 0.983 10 0 DCAEMM Cc1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[n-]n2)cn1 ZINC000584596447 337374227 /nfs/dbraw/zinc/37/42/27/337374227.db2.gz FAIVFFBCZSPNKG-UHFFFAOYSA-N -1 1 316.346 0.885 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](CO)C2)c1Cl ZINC000311404166 659285671 /nfs/dbraw/zinc/28/56/71/659285671.db2.gz IIPDEXNCGRHIIH-RKDXNWHRSA-N -1 1 307.803 0.903 10 0 DCAEMM Cc1csc([C@H](C)NC(=O)CCn2cc[n-]c(=O)c2=O)n1 ZINC000727858959 662256366 /nfs/dbraw/zinc/25/63/66/662256366.db2.gz LLTYIHFCZREBNY-VIFPVBQESA-N -1 1 308.363 0.569 10 0 DCAEMM O=C(NCCC[N@@H+]1CCO[C@H](Cn2cccn2)C1)C(F)(F)F ZINC000154815902 665184071 /nfs/dbraw/zinc/18/40/71/665184071.db2.gz ZUUXRWDNNAYENT-NSHDSACASA-N -1 1 320.315 0.653 10 0 DCAEMM CC[S@](=O)CC[N-]S(=O)(=O)c1ccc(C(=O)OC)o1 ZINC000733899411 666824690 /nfs/dbraw/zinc/82/46/90/666824690.db2.gz IGCUDTQGZGMHIX-SFHVURJKSA-N -1 1 309.365 0.113 10 0 DCAEMM O=S(=O)([N-][C@@H]1CCOC[C@@H]1O)c1ccc(Cl)nc1F ZINC000707061919 667431040 /nfs/dbraw/zinc/43/10/40/667431040.db2.gz ITBIHLPPISVPBM-RQJHMYQMSA-N -1 1 310.734 0.302 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-]C2CCC(C(N)=O)CC2)c1Cl ZINC000037989563 685056657 /nfs/dbraw/zinc/05/66/57/685056657.db2.gz ZHWZCTTZAMZKQN-UHFFFAOYSA-N -1 1 320.802 0.396 10 0 DCAEMM O=C(c1ccc(Br)cc1[O-])N1C[C@H](O)[C@@H](CO)C1 ZINC000316181103 1190413210 /nfs/dbraw/zinc/41/32/10/1190413210.db2.gz QCLZDOCFMKIFTA-HQJQHLMTSA-N -1 1 316.151 0.580 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC(C)(C)O2)co1 ZINC000187380665 200103941 /nfs/dbraw/zinc/10/39/41/200103941.db2.gz ZVQLOFADAPSVEE-JTQLQIEISA-N -1 1 316.379 0.875 10 0 DCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1ccnn1C ZINC000104843534 194046318 /nfs/dbraw/zinc/04/63/18/194046318.db2.gz ANARABLRGQLBQH-UHFFFAOYSA-N -1 1 314.349 0.232 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@@H](O)C2)co1 ZINC000089415584 395711294 /nfs/dbraw/zinc/71/12/94/395711294.db2.gz JHDUZZKISZEMLF-WPRPVWTQSA-N -1 1 302.352 0.031 10 0 DCAEMM C[C@@H](O)CN1CCN(CC(=O)[N-]OCc2ccccc2)C[C@H]1C ZINC000119397345 395870805 /nfs/dbraw/zinc/87/08/05/395870805.db2.gz DQGMOQLOCNGLLU-HUUCEWRRSA-N -1 1 321.421 0.621 10 0 DCAEMM CSC[C@@](C)(O)CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000121559084 395884508 /nfs/dbraw/zinc/88/45/08/395884508.db2.gz TTYOHEVLQOFLBZ-AWEZNQCLSA-N -1 1 307.375 0.767 10 0 DCAEMM CN1CCO[C@@H](C[N-]S(=O)(=O)c2cccc(F)c2F)C1 ZINC000171094494 396106415 /nfs/dbraw/zinc/10/64/15/396106415.db2.gz BKXUCJOXEISLQQ-VIFPVBQESA-N -1 1 306.334 0.574 10 0 DCAEMM CN1C(=O)N[C@@H]2CN(C(=O)c3c(F)ccc([O-])c3F)CC[C@@H]21 ZINC000285181520 396348593 /nfs/dbraw/zinc/34/85/93/396348593.db2.gz ZODNMKNKYRLORT-BDAKNGLRSA-N -1 1 311.288 0.909 10 0 DCAEMM C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(Cc1nc(=O)n(C)[n-]1)C2=O ZINC000329787420 396849234 /nfs/dbraw/zinc/84/92/34/396849234.db2.gz RDPXSNBJEQAORE-ICCCGROCSA-N -1 1 307.354 0.560 10 0 DCAEMM Cc1nc(CC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c(C)s1 ZINC000487334966 397469410 /nfs/dbraw/zinc/46/94/10/397469410.db2.gz GGMNNTFOXJHUAF-UHFFFAOYSA-N -1 1 315.380 0.463 10 0 DCAEMM Cc1nc(CC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c(C)s1 ZINC000487334966 397469414 /nfs/dbraw/zinc/46/94/14/397469414.db2.gz GGMNNTFOXJHUAF-UHFFFAOYSA-N -1 1 315.380 0.463 10 0 DCAEMM Cn1ncc2c1[n-]cc(C(=O)N[C@H]1CCCn3ncnc31)c2=O ZINC000119327915 158185527 /nfs/dbraw/zinc/18/55/27/158185527.db2.gz YLZKBSBPQVLXGS-JTQLQIEISA-N -1 1 313.321 0.530 10 0 DCAEMM CCOCCN1CCN(Cc2cc(=O)n3[n-]ccc3n2)C[C@H]1C ZINC000343034134 415415628 /nfs/dbraw/zinc/41/56/28/415415628.db2.gz MIYRHWGLGOODFC-CYBMUJFWSA-N -1 1 319.409 0.565 10 0 DCAEMM O=C(CNC(=O)c1ccc(F)cc1F)NC1(c2nn[n-]n2)CC1 ZINC000357078834 416032144 /nfs/dbraw/zinc/03/21/44/416032144.db2.gz YKLWVRACGXEUCN-UHFFFAOYSA-N -1 1 322.275 0.013 10 0 DCAEMM COCCOc1cc(C(=O)NC2(c3nn[n-]n3)CC2)ccn1 ZINC000357096180 416033935 /nfs/dbraw/zinc/03/39/35/416033935.db2.gz MUZXDPFUSHQUGD-UHFFFAOYSA-N -1 1 304.310 0.039 10 0 DCAEMM O=C(NCCCc1nc(=O)[n-][nH]1)c1cccc(-n2cncn2)c1 ZINC000176760690 416134099 /nfs/dbraw/zinc/13/40/99/416134099.db2.gz DBOZMQKRCADABR-UHFFFAOYSA-N -1 1 313.321 0.041 10 0 DCAEMM C/C=C/C[C@H]([N-]S(=O)(=O)C[C@H](C)C(=O)OC)C(=O)OCC ZINC000440089163 416624936 /nfs/dbraw/zinc/62/49/36/416624936.db2.gz CUBXBYOEBDLEAB-BZCKNUJPSA-N -1 1 321.395 0.613 10 0 DCAEMM O=C(c1ncccc1[O-])N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000516985449 416767337 /nfs/dbraw/zinc/76/73/37/416767337.db2.gz GMBOHJRVMBTVCL-MNOVXSKESA-N -1 1 323.324 0.199 10 0 DCAEMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000632880060 417286229 /nfs/dbraw/zinc/28/62/29/417286229.db2.gz JKRKWKJKNCZRIE-LLVKDONJSA-N -1 1 308.338 0.492 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000570770711 417388558 /nfs/dbraw/zinc/38/85/58/417388558.db2.gz URPJAYWLPOQFRI-JTQLQIEISA-N -1 1 312.333 0.358 10 0 DCAEMM CC(C)CC(=O)N[C@H](C(=O)N(C)C[C@H](C)c1nn[n-]n1)C(C)C ZINC000156545990 519599724 /nfs/dbraw/zinc/59/97/24/519599724.db2.gz ONTHTEZMAYPEBC-AAEUAGOBSA-N -1 1 324.429 0.949 10 0 DCAEMM COC[C@](C)(CCO)NC(=O)c1nnc2ccccc2c1O ZINC000182821150 659142348 /nfs/dbraw/zinc/14/23/48/659142348.db2.gz FOHYAWBXNCCWIM-HNNXBMFYSA-N -1 1 305.334 0.440 10 0 DCAEMM CCC[C@H](NC(=O)CN(C)c1ncnc2[nH]cnc21)C(=O)[O-] ZINC000262292117 662310277 /nfs/dbraw/zinc/31/02/77/662310277.db2.gz NUIWEMRTHRWTTM-QMMMGPOBSA-N -1 1 306.326 0.159 10 0 DCAEMM Cc1oc(C)c(S(=O)(=O)N2CC[C@H](N(C)C)C2)c1C(=O)[O-] ZINC000062966762 664625059 /nfs/dbraw/zinc/62/50/59/664625059.db2.gz DSSCXAFXRBPXBU-JTQLQIEISA-N -1 1 316.379 0.919 10 0 DCAEMM C[C@@H](O)[C@@H](O)CNC(=O)c1cc(Br)ccc1[O-] ZINC000717385395 667744097 /nfs/dbraw/zinc/74/40/97/667744097.db2.gz MNUQCVXRPSNKHU-LDWIPMOCSA-N -1 1 304.140 0.626 10 0 DCAEMM COCCS(=O)(=O)[N-]C(=O)c1cn[nH]c1-c1ccsc1 ZINC000187418383 669303134 /nfs/dbraw/zinc/30/31/34/669303134.db2.gz JPSAQMLKPFYDGN-UHFFFAOYSA-N -1 1 315.376 0.844 10 0 DCAEMM Cc1noc([C@H]([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)C(C)C)n1 ZINC000193917208 1188106599 /nfs/dbraw/zinc/10/65/99/1188106599.db2.gz DFWFRSGAJAGKHI-WCBMZHEXSA-N -1 1 318.399 0.471 10 0 DCAEMM O=C([O-])CCN(CC(=O)N1CCOCC1)Cc1ccccc1 ZINC000692425942 976464972 /nfs/dbraw/zinc/46/49/72/976464972.db2.gz IRCCLVDKFWEIDI-UHFFFAOYSA-N -1 1 306.362 0.822 10 0 DCAEMM COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)[N-]Cc1nc(C)no1 ZINC000234582368 201904325 /nfs/dbraw/zinc/90/43/25/201904325.db2.gz NJRTVDHMVMESOK-BDAKNGLRSA-N -1 1 303.340 0.139 10 0 DCAEMM CCc1nnc(CS(=O)(=O)c2nnc(C(C)(C)C)[n-]2)n1C ZINC000195172905 395819407 /nfs/dbraw/zinc/81/94/07/395819407.db2.gz LYEWNAAGAQSHCP-UHFFFAOYSA-N -1 1 312.399 0.767 10 0 DCAEMM CCc1nnc(CS(=O)(=O)c2nc(C(C)(C)C)n[n-]2)n1C ZINC000195172905 395819411 /nfs/dbraw/zinc/81/94/11/395819411.db2.gz LYEWNAAGAQSHCP-UHFFFAOYSA-N -1 1 312.399 0.767 10 0 DCAEMM CCc1nnc(CS(=O)(=O)c2n[n-]c(C(C)(C)C)n2)n1C ZINC000195172905 395819416 /nfs/dbraw/zinc/81/94/16/395819416.db2.gz LYEWNAAGAQSHCP-UHFFFAOYSA-N -1 1 312.399 0.767 10 0 DCAEMM COCCN1CCN(Cc2cc(=O)n3[n-]ccc3n2)C[C@H]1C ZINC000108867410 395794671 /nfs/dbraw/zinc/79/46/71/395794671.db2.gz APNFPECVDPOQGE-GFCCVEGCSA-N -1 1 305.382 0.175 10 0 DCAEMM CCC[C@H](NC(=O)c1cnn2ccc(C)nc12)c1nn[n-]n1 ZINC000136718584 395948418 /nfs/dbraw/zinc/94/84/18/395948418.db2.gz VQRXIDJBDQKSKH-JTQLQIEISA-N -1 1 300.326 0.822 10 0 DCAEMM CCCCN(C)S(=O)(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)[O-] ZINC000252588280 396023234 /nfs/dbraw/zinc/02/32/34/396023234.db2.gz AWQYXJOWDYCZBE-NSHDSACASA-N -1 1 316.383 0.198 10 0 DCAEMM C[C@H](O)CN1CCN(CC(=O)[N-]OCc2ccccc2)C[C@@H]1C ZINC000252734762 396024291 /nfs/dbraw/zinc/02/42/91/396024291.db2.gz DQGMOQLOCNGLLU-GJZGRUSLSA-N -1 1 321.421 0.621 10 0 DCAEMM O=C(NC[C@H](O)CN1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000154115293 396031570 /nfs/dbraw/zinc/03/15/70/396031570.db2.gz GTGLPKZUYJNQOU-NSHDSACASA-N -1 1 314.769 0.469 10 0 DCAEMM CS[C@@H](CO)[C@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000153088359 396020741 /nfs/dbraw/zinc/02/07/41/396020741.db2.gz LNWBDBBPQNIWIQ-KWQFWETISA-N -1 1 307.375 0.765 10 0 DCAEMM Cc1noc([C@@H](C)N2CCN(C(=O)c3cncc([O-])c3)CC2)n1 ZINC000171871851 396126728 /nfs/dbraw/zinc/12/67/28/396126728.db2.gz AWLSLMPFCBNXQB-SNVBAGLBSA-N -1 1 317.349 0.998 10 0 DCAEMM O=C(c1cc(F)cc2nn[nH]c21)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000281930455 396249954 /nfs/dbraw/zinc/24/99/54/396249954.db2.gz BDGQWLNTWRXNEU-CQSZACIVSA-N -1 1 303.297 0.449 10 0 DCAEMM Cc1nn(CC(F)F)c(C)c1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000581106366 396526585 /nfs/dbraw/zinc/52/65/85/396526585.db2.gz NJISGMQFQVUGSD-UHFFFAOYSA-N -1 1 311.296 0.697 10 0 DCAEMM COC(=O)[C@H]1CC[C@H](C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)CC1 ZINC000578635457 397463813 /nfs/dbraw/zinc/46/38/13/397463813.db2.gz DCPHUQQXABDROB-IJLUTSLNSA-N -1 1 321.381 0.885 10 0 DCAEMM CCOCCOCC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000114412517 158152705 /nfs/dbraw/zinc/15/27/05/158152705.db2.gz HDUJLOXWEHIBOS-UHFFFAOYSA-N -1 1 322.365 0.309 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC([C@H](C)O)CC2)co1 ZINC000407998953 160007334 /nfs/dbraw/zinc/00/73/34/160007334.db2.gz UADOXIPHLIHOOD-VIFPVBQESA-N -1 1 316.379 0.421 10 0 DCAEMM C[C@H](C(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1ncn[n-]1 ZINC000086169717 415509545 /nfs/dbraw/zinc/50/95/45/415509545.db2.gz ASKNRISATUIFGK-VHSXEESVSA-N -1 1 308.363 0.844 10 0 DCAEMM C[C@H](C(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1nc[n-]n1 ZINC000086169717 415509549 /nfs/dbraw/zinc/50/95/49/415509549.db2.gz ASKNRISATUIFGK-VHSXEESVSA-N -1 1 308.363 0.844 10 0 DCAEMM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)[C@H](C1CC1)N1CCCC1 ZINC000126354499 415873538 /nfs/dbraw/zinc/87/35/38/415873538.db2.gz IFLBYFRZRZXWRY-OLZOCXBDSA-N -1 1 316.423 0.486 10 0 DCAEMM COc1cccc2c1OCC(C(=O)NC1(c3nn[n-]n3)CC1)=C2 ZINC000357050176 416027733 /nfs/dbraw/zinc/02/77/33/416027733.db2.gz NWNHJWZQDQRMCU-UHFFFAOYSA-N -1 1 313.317 0.790 10 0 DCAEMM O=C(Nc1nnn[n-]1)[C@@H]1CCCN1c1ncnc2ccccc21 ZINC000361188778 416424833 /nfs/dbraw/zinc/42/48/33/416424833.db2.gz FEZRTQRTIDISPL-NSHDSACASA-N -1 1 310.321 0.750 10 0 DCAEMM O=C(Nc1nn[n-]n1)[C@@H]1CCCN1c1ncnc2ccccc21 ZINC000361188778 416424835 /nfs/dbraw/zinc/42/48/35/416424835.db2.gz FEZRTQRTIDISPL-NSHDSACASA-N -1 1 310.321 0.750 10 0 DCAEMM CCc1ccc(CC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000439150375 416607823 /nfs/dbraw/zinc/60/78/23/416607823.db2.gz GTPNKIRWJMOCAA-UHFFFAOYSA-N -1 1 308.363 0.952 10 0 DCAEMM CCc1ccc(CC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC000439150375 416607827 /nfs/dbraw/zinc/60/78/27/416607827.db2.gz GTPNKIRWJMOCAA-UHFFFAOYSA-N -1 1 308.363 0.952 10 0 DCAEMM C[C@@H]1CCC[C@H](OCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1 ZINC000522139938 417049323 /nfs/dbraw/zinc/04/93/23/417049323.db2.gz AVSQIWNZPGZZDT-BDAKNGLRSA-N -1 1 316.383 0.742 10 0 DCAEMM C[C@@H]1CCC[C@H](OCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC000522139938 417049336 /nfs/dbraw/zinc/04/93/36/417049336.db2.gz AVSQIWNZPGZZDT-BDAKNGLRSA-N -1 1 316.383 0.742 10 0 DCAEMM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)[C@H](C1CC1)N1CCCC1 ZINC000408485217 417163087 /nfs/dbraw/zinc/16/30/87/417163087.db2.gz PUWFCQWIGHQYLI-NEPJUHHUSA-N -1 1 302.396 0.096 10 0 DCAEMM CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000450957472 417288467 /nfs/dbraw/zinc/28/84/67/417288467.db2.gz IVQCLZFKRSSQAW-JTQLQIEISA-N -1 1 322.413 0.882 10 0 DCAEMM C[C@H](CC(=O)NC1(c2nn[n-]n2)CC1)NC(=O)C1CCCCC1 ZINC000357077469 261504043 /nfs/dbraw/zinc/50/40/43/261504043.db2.gz WNLBYIQFRLFZJC-SNVBAGLBSA-N -1 1 320.397 0.780 10 0 DCAEMM NS(=O)(=O)c1cccc(-c2nccs2)c1-c1nnn[n-]1 ZINC000584597047 337374345 /nfs/dbraw/zinc/37/43/45/337374345.db2.gz UWOZDNNJTRQYCG-UHFFFAOYSA-N -1 1 308.348 0.638 10 0 DCAEMM NS(=O)(=O)c1cccc(-c2nccs2)c1-c1nn[n-]n1 ZINC000584597047 337374346 /nfs/dbraw/zinc/37/43/46/337374346.db2.gz UWOZDNNJTRQYCG-UHFFFAOYSA-N -1 1 308.348 0.638 10 0 DCAEMM COC1(CNC(=O)c2nc3ccccc3c(=O)[n-]2)CCOCC1 ZINC000118959830 545736898 /nfs/dbraw/zinc/73/68/98/545736898.db2.gz AGTDYKGJCUEYJU-UHFFFAOYSA-N -1 1 317.345 0.849 10 0 DCAEMM CCC[C@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)C(=O)[O-] ZINC000262274804 658929392 /nfs/dbraw/zinc/92/93/92/658929392.db2.gz JFNDVSLZWMWSEQ-ZDUSSCGKSA-N -1 1 320.393 0.817 10 0 DCAEMM C[C@@H]1NC(=O)CC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1F ZINC000703178613 667065096 /nfs/dbraw/zinc/06/50/96/667065096.db2.gz KLUMZTSDPLAFSN-BQBZGAKWSA-N -1 1 321.761 0.820 10 0 DCAEMM COC(=O)[C@H](CO)[N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000209296604 668188583 /nfs/dbraw/zinc/18/85/83/668188583.db2.gz AZOHESWTZINWRJ-ZADCQDASSA-N -1 1 319.766 0.764 10 0 DCAEMM Cn1cnc(CC[N-]S(=O)(=O)c2ncn(C)c2Cl)c1 ZINC000313342455 1190396224 /nfs/dbraw/zinc/39/62/24/1190396224.db2.gz AKFCDCAAMBFQQV-UHFFFAOYSA-N -1 1 303.775 0.328 10 0 DCAEMM CC1(C)CC[C@H](CNS(=O)(=O)c2cc(C(=O)[O-])no2)O1 ZINC000691908930 976389931 /nfs/dbraw/zinc/38/99/31/976389931.db2.gz JMKBXOXIVCPEOM-SSDOTTSWSA-N -1 1 304.324 0.609 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2[C@H](C)COC[C@H]2C)co1 ZINC000270169957 396462456 /nfs/dbraw/zinc/46/24/56/396462456.db2.gz KXKYNPOSKUQUFP-RKDXNWHRSA-N -1 1 302.352 0.437 10 0 DCAEMM COc1cc(C(=O)NC2(c3nn[n-]n3)CC2)cc(OC)c1O ZINC000574217695 397247114 /nfs/dbraw/zinc/24/71/14/397247114.db2.gz DOBGEQQOSLHBOL-UHFFFAOYSA-N -1 1 305.294 0.342 10 0 DCAEMM CSC[C@@H](CCO)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000077513079 158067971 /nfs/dbraw/zinc/06/79/71/158067971.db2.gz RJLGULLOMJDCSA-SECBINFHSA-N -1 1 307.375 0.767 10 0 DCAEMM CCc1nc(CNC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)n[nH]1 ZINC000263351798 158874297 /nfs/dbraw/zinc/87/42/97/158874297.db2.gz HYNRHGXIYGKAHX-LKFCYVNXSA-N -1 1 307.354 0.763 10 0 DCAEMM C[C@@]1(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)CCCNC1=O ZINC000408068196 160027611 /nfs/dbraw/zinc/02/76/11/160027611.db2.gz RUEPZGBGGODHNR-LKFCYVNXSA-N -1 1 308.338 0.398 10 0 DCAEMM Cc1cnc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c([O-])c1 ZINC000408229688 160064715 /nfs/dbraw/zinc/06/47/15/160064715.db2.gz VSIWSXQCRWCOML-CYBMUJFWSA-N -1 1 319.361 0.559 10 0 DCAEMM CC(=O)N[C@H](CC(=O)NC1(c2nn[n-]n2)CC1)c1cccs1 ZINC000357080217 287203490 /nfs/dbraw/zinc/20/34/90/287203490.db2.gz TYTQWAIIXUTFNZ-SECBINFHSA-N -1 1 320.378 0.634 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(C3CC3)CC2)co1 ZINC000123601249 415842242 /nfs/dbraw/zinc/84/22/42/415842242.db2.gz APSMERFEABBXNU-UHFFFAOYSA-N -1 1 313.379 0.108 10 0 DCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2CC(=O)c3ccccc32)n1 ZINC000357007605 416019696 /nfs/dbraw/zinc/01/96/96/416019696.db2.gz XMVDIUBPZOMSOK-VIFPVBQESA-N -1 1 320.330 0.517 10 0 DCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2CC(=O)c3ccccc32)[n-]1 ZINC000357007605 416019702 /nfs/dbraw/zinc/01/97/02/416019702.db2.gz XMVDIUBPZOMSOK-VIFPVBQESA-N -1 1 320.330 0.517 10 0 DCAEMM COc1ccc(F)c(C(=O)NC2(c3nn[n-]n3)CC2)c1OC ZINC000357070297 416029741 /nfs/dbraw/zinc/02/97/41/416029741.db2.gz NWGOHBJAYLHRAD-UHFFFAOYSA-N -1 1 307.285 0.775 10 0 DCAEMM CC[N@H+]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)NC)o2)C1 ZINC000194658169 416324100 /nfs/dbraw/zinc/32/41/00/416324100.db2.gz RMOFSCMOYDXMAC-JTQLQIEISA-N -1 1 315.395 0.402 10 0 DCAEMM COc1ccc2c(c1)[n-]cc(C(=O)NCc1cnnn1C)c2=O ZINC000360677737 416402982 /nfs/dbraw/zinc/40/29/82/416402982.db2.gz SOUPQKDTIZIVRD-UHFFFAOYSA-N -1 1 313.317 0.595 10 0 DCAEMM CCOC(=O)[C@@H](CCOC(C)(C)C)[N-]S(=O)(=O)C1COC1 ZINC000493978579 416643988 /nfs/dbraw/zinc/64/39/88/416643988.db2.gz SXNIXORUUOPNOH-LLVKDONJSA-N -1 1 323.411 0.442 10 0 DCAEMM O=S(=O)(c1ccccc1)N1CCCOC[C@H]1c1nn[n-]n1 ZINC000616598653 417083063 /nfs/dbraw/zinc/08/30/63/417083063.db2.gz OVGSSNMJZLUKTL-NSHDSACASA-N -1 1 309.351 0.352 10 0 DCAEMM CCc1cccc(OCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC000523789272 417094843 /nfs/dbraw/zinc/09/48/43/417094843.db2.gz ZQFCUVKQQAXXJR-UHFFFAOYSA-N -1 1 324.362 0.788 10 0 DCAEMM CCc1cccc(OCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000523789272 417094847 /nfs/dbraw/zinc/09/48/47/417094847.db2.gz ZQFCUVKQQAXXJR-UHFFFAOYSA-N -1 1 324.362 0.788 10 0 DCAEMM C[C@@H](OCCc1ccccc1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000450963571 417288662 /nfs/dbraw/zinc/28/86/62/417288662.db2.gz SCKKNKFGFHMQJL-LLVKDONJSA-N -1 1 301.350 0.953 10 0 DCAEMM C[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)C[C@H](CO)O1 ZINC000190831991 261135843 /nfs/dbraw/zinc/13/58/43/261135843.db2.gz CGJUKACXOBJTIB-NXEZZACHSA-N -1 1 303.318 0.145 10 0 DCAEMM CCC[C@H](C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1)N(C)C ZINC000188330825 520987569 /nfs/dbraw/zinc/98/75/69/520987569.db2.gz PSPGQVJRRUXYLR-GFCCVEGCSA-N -1 1 304.354 0.624 10 0 DCAEMM CN1C[C@@H]2[C@@H](CCCN2C(=O)c2cnc(C3CC3)[n-]c2=O)C1=O ZINC000908098177 663733231 /nfs/dbraw/zinc/73/32/31/663733231.db2.gz PIRBUFGTUSAZSC-ZYHUDNBSSA-N -1 1 316.361 0.752 10 0 DCAEMM CS(=O)(=O)CC1(CN2CCC3(C[C@H]3C(=O)[O-])CC2)CC1 ZINC000696770866 976823437 /nfs/dbraw/zinc/82/34/37/976823437.db2.gz XHVKBZKAROMJAE-NSHDSACASA-N -1 1 301.408 0.998 10 0 DCAEMM CCOC(=O)[C@H](CCOC(C)(C)C)[N-]S(=O)(=O)C1COC1 ZINC000493978580 241186846 /nfs/dbraw/zinc/18/68/46/241186846.db2.gz SXNIXORUUOPNOH-NSHDSACASA-N -1 1 323.411 0.442 10 0 DCAEMM O=C([O-])CN1CCCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000061145394 184162989 /nfs/dbraw/zinc/16/29/89/184162989.db2.gz ZMAVVSSYIILIIF-UHFFFAOYSA-N -1 1 316.354 0.607 10 0 DCAEMM Cc1ccc2c([O-])c(C(=O)N3CCCN(C)C(=O)C3)cnc2n1 ZINC000190604423 396409004 /nfs/dbraw/zinc/40/90/04/396409004.db2.gz HEJUUKAMUANOCW-UHFFFAOYSA-N -1 1 314.345 0.948 10 0 DCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCCN(C)C(=O)C1)c2=O ZINC000190604423 396409006 /nfs/dbraw/zinc/40/90/06/396409006.db2.gz HEJUUKAMUANOCW-UHFFFAOYSA-N -1 1 314.345 0.948 10 0 DCAEMM CCS(=O)(=O)C[C@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000113367676 158146655 /nfs/dbraw/zinc/14/66/55/158146655.db2.gz NGTBEVUEVAEIOV-VIFPVBQESA-N -1 1 323.374 0.476 10 0 DCAEMM CC(C)(C)c1[nH]ncc1C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000408129753 160043495 /nfs/dbraw/zinc/04/34/95/160043495.db2.gz BLWPXECSAYUOSV-SECBINFHSA-N -1 1 315.395 0.946 10 0 DCAEMM O=C([N-]S(=O)(=O)CC1CCC1)c1cn[nH]c1[C@H]1CCOC1 ZINC000408485033 160118695 /nfs/dbraw/zinc/11/86/95/160118695.db2.gz GLORTBPITMJYSJ-JTQLQIEISA-N -1 1 313.379 0.773 10 0 DCAEMM Cn1cc(N2CCC[C@@H](NC(=O)c3cncc([O-])c3)C2)cn1 ZINC000173468486 416058898 /nfs/dbraw/zinc/05/88/98/416058898.db2.gz REICJONWIZXOKH-GFCCVEGCSA-N -1 1 301.350 0.920 10 0 DCAEMM CS(=O)(=O)N[C@H]1CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000175240708 416101419 /nfs/dbraw/zinc/10/14/19/416101419.db2.gz CFLJZOSSPZGTMG-VIFPVBQESA-N -1 1 302.327 0.295 10 0 DCAEMM C[C@@H]1C(=O)CC[C@H]1CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000359372381 416343995 /nfs/dbraw/zinc/34/39/95/416343995.db2.gz RYFXRARKVZSFMS-BQBZGAKWSA-N -1 1 300.340 0.152 10 0 DCAEMM C[C@@H]1C(=O)CC[C@H]1CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000359372381 416343996 /nfs/dbraw/zinc/34/39/96/416343996.db2.gz RYFXRARKVZSFMS-BQBZGAKWSA-N -1 1 300.340 0.152 10 0 DCAEMM C/C=C\C[C@H]([N-]S(=O)(=O)C[C@@H]1CCCO1)C(=O)OCC ZINC000361407117 416435377 /nfs/dbraw/zinc/43/53/77/416435377.db2.gz CKOQSXCWDLKJRQ-OPUZMVJGSA-N -1 1 305.396 0.983 10 0 DCAEMM CCc1ncc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)s1 ZINC000523125054 417078312 /nfs/dbraw/zinc/07/83/12/417078312.db2.gz DNIJNYAZXQXDQX-UHFFFAOYSA-N -1 1 301.353 0.479 10 0 DCAEMM CCc1ncc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)s1 ZINC000523125054 417078318 /nfs/dbraw/zinc/07/83/18/417078318.db2.gz DNIJNYAZXQXDQX-UHFFFAOYSA-N -1 1 301.353 0.479 10 0 DCAEMM C[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)C[C@@H](CO)O1 ZINC000190832024 261135276 /nfs/dbraw/zinc/13/52/76/261135276.db2.gz CGJUKACXOBJTIB-ZJUUUORDSA-N -1 1 303.318 0.145 10 0 DCAEMM CC(C)(C)c1ncc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cn1 ZINC000554546152 288327918 /nfs/dbraw/zinc/32/79/18/288327918.db2.gz QCQJDYVDFRQDHQ-UHFFFAOYSA-N -1 1 324.366 0.548 10 0 DCAEMM CC(C)(C)c1ncc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cn1 ZINC000554546152 288327922 /nfs/dbraw/zinc/32/79/22/288327922.db2.gz QCQJDYVDFRQDHQ-UHFFFAOYSA-N -1 1 324.366 0.548 10 0 DCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(Cl)nc2)n1 ZINC000726981862 662074540 /nfs/dbraw/zinc/07/45/40/662074540.db2.gz DHLHMBQVDPXQML-UHFFFAOYSA-N -1 1 301.715 0.509 10 0 DCAEMM CS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)nc2)[n-]1 ZINC000726981862 662074541 /nfs/dbraw/zinc/07/45/41/662074541.db2.gz DHLHMBQVDPXQML-UHFFFAOYSA-N -1 1 301.715 0.509 10 0 DCAEMM C[C@H]1CN(CCC[N-]C(=O)C(F)(F)F)CCS1(=O)=O ZINC000120645786 667334911 /nfs/dbraw/zinc/33/49/11/667334911.db2.gz XUFBXLQLAZJESP-QMMMGPOBSA-N -1 1 302.318 0.174 10 0 DCAEMM O=S(=O)([N-][C@@H](CO)CC(F)(F)F)c1cccnc1F ZINC000717839504 685303633 /nfs/dbraw/zinc/30/36/33/685303633.db2.gz KCXTVUJKOBODKZ-ZCFIWIBFSA-N -1 1 302.249 0.812 10 0 DCAEMM O=C(c1ccc(Br)cc1[O-])N1C[C@@H](O)[C@H](CO)C1 ZINC000316181108 1190412936 /nfs/dbraw/zinc/41/29/36/1190412936.db2.gz QCLZDOCFMKIFTA-WRWORJQWSA-N -1 1 316.151 0.580 10 0 DCAEMM CCNC(=O)NC(=O)CN(CCC(=O)[O-])Cc1ccccc1 ZINC000692429868 976470280 /nfs/dbraw/zinc/47/02/80/976470280.db2.gz ZJQHNWKCHWAPOA-UHFFFAOYSA-N -1 1 307.350 0.809 10 0 DCAEMM O=C(NCC1(CO)CCOCC1)c1nc2ccccc2c(=O)[n-]1 ZINC000163321495 237110130 /nfs/dbraw/zinc/11/01/30/237110130.db2.gz WKRAHPMZVJKGRI-UHFFFAOYSA-N -1 1 317.345 0.442 10 0 DCAEMM O=C([O-])[C@@H]1Cc2nc[nH]c2CN1S(=O)(=O)c1ccccc1 ZINC000092778475 304151100 /nfs/dbraw/zinc/15/11/00/304151100.db2.gz YROJNHUTBRFRBA-LBPRGKRZSA-N -1 1 307.331 0.610 10 0 DCAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000285318009 131157768 /nfs/dbraw/zinc/15/77/68/131157768.db2.gz KPIQXQNAZZQUDD-PSASIEDQSA-N -1 1 320.393 0.982 10 0 DCAEMM NS(=O)(=O)c1ccc(C[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC000226596726 395866494 /nfs/dbraw/zinc/86/64/94/395866494.db2.gz ZYWCQAVVIQGNMG-UHFFFAOYSA-N -1 1 314.260 0.851 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2C2CC2)c1Cl ZINC000230310921 395880066 /nfs/dbraw/zinc/88/00/66/395880066.db2.gz ZTUHHTIBFSGGPE-RKDXNWHRSA-N -1 1 305.787 0.919 10 0 DCAEMM O=C(c1ccc(Br)c([O-])c1)N1CCO[C@H](CO)C1 ZINC000231354758 395884547 /nfs/dbraw/zinc/88/45/47/395884547.db2.gz HUYIRGYLWXHSGO-VIFPVBQESA-N -1 1 316.151 0.988 10 0 DCAEMM O=C([N-]CCC[N@@H+]1CCC[C@@H](n2cncn2)C1)C(F)(F)F ZINC000180621970 396233582 /nfs/dbraw/zinc/23/35/82/396233582.db2.gz WOXDWWWFOSNQPX-SNVBAGLBSA-N -1 1 305.304 0.984 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)c1ccnc(O[C@H]2CCOC2)c1 ZINC000357069327 416028182 /nfs/dbraw/zinc/02/81/82/416028182.db2.gz IGLLVPCIGIIINN-JTQLQIEISA-N -1 1 316.321 0.182 10 0 DCAEMM O=C(Cc1cnn(-c2ccccc2)c1)NC1(c2nn[n-]n2)CC1 ZINC000357068917 416028320 /nfs/dbraw/zinc/02/83/20/416028320.db2.gz AUPICZCGXZYPHC-UHFFFAOYSA-N -1 1 309.333 0.733 10 0 DCAEMM C[C@H](Oc1cccc(CO)c1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000357076019 416031291 /nfs/dbraw/zinc/03/12/91/416031291.db2.gz LFVVHKNBLXIASM-VIFPVBQESA-N -1 1 303.322 0.265 10 0 DCAEMM CC[C@H]1C[C@H](CC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)CCO1 ZINC000359493432 416348169 /nfs/dbraw/zinc/34/81/69/416348169.db2.gz BUWZCEFJDJUIFI-BDAKNGLRSA-N -1 1 316.383 0.742 10 0 DCAEMM CC[C@H]1C[C@H](CC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)CCO1 ZINC000359493432 416348170 /nfs/dbraw/zinc/34/81/70/416348170.db2.gz BUWZCEFJDJUIFI-BDAKNGLRSA-N -1 1 316.383 0.742 10 0 DCAEMM C[C@@H]1CCC[C@@H](OCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1 ZINC000522139941 417052065 /nfs/dbraw/zinc/05/20/65/417052065.db2.gz AVSQIWNZPGZZDT-RKDXNWHRSA-N -1 1 316.383 0.742 10 0 DCAEMM C[C@@H]1CCC[C@@H](OCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC000522139941 417052070 /nfs/dbraw/zinc/05/20/70/417052070.db2.gz AVSQIWNZPGZZDT-RKDXNWHRSA-N -1 1 316.383 0.742 10 0 DCAEMM COc1ccc2c(c1)[n-]cc(C(=O)N[C@@H](C)CC(N)=O)c2=O ZINC000439323288 287385973 /nfs/dbraw/zinc/38/59/73/287385973.db2.gz MNHXKKNNJAMUIP-QMMMGPOBSA-N -1 1 303.318 0.530 10 0 DCAEMM CN(C)C(=O)c1cccc(C(=O)NC2(c3nn[n-]n3)CC2)c1 ZINC000357078376 261503833 /nfs/dbraw/zinc/50/38/33/261503833.db2.gz OVZYWFQKQOFPSO-UHFFFAOYSA-N -1 1 300.322 0.321 10 0 DCAEMM C[C@@]1(C(=O)Nc2nnn[n-]2)CCCN1C(=O)c1ccccc1 ZINC000363240574 262107621 /nfs/dbraw/zinc/10/76/21/262107621.db2.gz QBEOAJDQTIKLQU-AWEZNQCLSA-N -1 1 300.322 0.833 10 0 DCAEMM C[C@@]1(C(=O)Nc2nn[n-]n2)CCCN1C(=O)c1ccccc1 ZINC000363240574 262107622 /nfs/dbraw/zinc/10/76/22/262107622.db2.gz QBEOAJDQTIKLQU-AWEZNQCLSA-N -1 1 300.322 0.833 10 0 DCAEMM Cc1nnc(CN2CCN(C(=O)c3ncccc3[O-])CC2)[nH]1 ZINC000547976345 288097501 /nfs/dbraw/zinc/09/75/01/288097501.db2.gz DJRRVFXMCQVVJC-UHFFFAOYSA-N -1 1 302.338 0.172 10 0 DCAEMM NC(=O)[C@H]1COCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000182116024 295158963 /nfs/dbraw/zinc/15/89/63/295158963.db2.gz MPJJCFOFQKERDA-SECBINFHSA-N -1 1 318.251 0.737 10 0 DCAEMM C[C@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1cc(=O)[nH][n-]1 ZINC000898868905 663111269 /nfs/dbraw/zinc/11/12/69/663111269.db2.gz XZJHPPDYCHGBOU-ONGXEEELSA-N -1 1 306.366 0.941 10 0 DCAEMM CSCCCC(=O)OCCc1c(C)nc2[n-]cnn2c1=O ZINC000153368151 664825141 /nfs/dbraw/zinc/82/51/41/664825141.db2.gz BVICJTXWUSZAQM-UHFFFAOYSA-N -1 1 310.379 0.955 10 0 DCAEMM CCN(CC(=O)[O-])C(=O)N[C@H]1CCCN2CCSC[C@@H]12 ZINC000720480576 685312982 /nfs/dbraw/zinc/31/29/82/685312982.db2.gz DOEIWFHNSTVWDS-QWRGUYRKSA-N -1 1 301.412 0.682 10 0 DCAEMM O=C([O-])CN1CCCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000061145416 184163219 /nfs/dbraw/zinc/16/32/19/184163219.db2.gz KHTMYDQKXXSJSR-UHFFFAOYSA-N -1 1 312.391 0.609 10 0 DCAEMM Cc1noc(CC[N-]S(=O)(=O)c2ncn(C)c2Cl)n1 ZINC000064345024 184294737 /nfs/dbraw/zinc/29/47/37/184294737.db2.gz GEPXGFDNULJRBS-UHFFFAOYSA-N -1 1 305.747 0.286 10 0 DCAEMM CCN1CCN(c2nc3ccccc3c(=O)n2CC(=O)[O-])CC1 ZINC000040351785 285340144 /nfs/dbraw/zinc/34/01/44/285340144.db2.gz GSXVSYBJAHPRQS-UHFFFAOYSA-N -1 1 316.361 0.623 10 0 DCAEMM CS(=O)(=O)N[C@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000116982156 395850717 /nfs/dbraw/zinc/85/07/17/395850717.db2.gz MGMWCBYJJVOJGI-VIFPVBQESA-N -1 1 318.782 0.809 10 0 DCAEMM COCCN1CCCN(C(=O)c2cc(F)ccc2[O-])CC1=O ZINC000189305385 396393284 /nfs/dbraw/zinc/39/32/84/396393284.db2.gz OBAQPMSWZUVNPI-UHFFFAOYSA-N -1 1 310.325 0.852 10 0 DCAEMM O=C1CC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2F)CCN1 ZINC000396697984 397310430 /nfs/dbraw/zinc/31/04/30/397310430.db2.gz HFMBIVFRESUFOK-VIFPVBQESA-N -1 1 304.318 0.912 10 0 DCAEMM Cn1[n-]c(CN2C(=O)N[C@@](C)(c3ccsc3)C2=O)nc1=O ZINC000329279233 159079449 /nfs/dbraw/zinc/07/94/49/159079449.db2.gz LNSDLNRYBMLQJN-LBPRGKRZSA-N -1 1 307.335 0.342 10 0 DCAEMM Cc1noc([C@H]2C[C@@H](O)CN2C(=O)c2ncc(C)cc2[O-])n1 ZINC000408386526 160097698 /nfs/dbraw/zinc/09/76/98/160097698.db2.gz QCULJBUKADZUCT-NXEZZACHSA-N -1 1 304.306 0.735 10 0 DCAEMM CO[C@@H]1CN(C(=O)c2cnc3nc(C)ccc3c2[O-])C[C@H]1O ZINC000408467687 160114112 /nfs/dbraw/zinc/11/41/12/160114112.db2.gz OFISIUVXIVFPSR-VXGBXAGGSA-N -1 1 303.318 0.476 10 0 DCAEMM CO[C@@H]1CN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)C[C@H]1O ZINC000408467687 160114114 /nfs/dbraw/zinc/11/41/14/160114114.db2.gz OFISIUVXIVFPSR-VXGBXAGGSA-N -1 1 303.318 0.476 10 0 DCAEMM CCCc1cc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)n[nH]1 ZINC000126457472 415876225 /nfs/dbraw/zinc/87/62/25/415876225.db2.gz KNNIGMKGSLQJKI-UHFFFAOYSA-N -1 1 311.367 0.600 10 0 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CKOQSXCWDLKJRQ-CHULQOHASA-N -1 1 305.396 0.983 10 0 DCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)Cc2ccc3c(c2)COC3)n1 ZINC000542688448 416626986 /nfs/dbraw/zinc/62/69/86/416626986.db2.gz HZCWDRXTTJHQNO-UHFFFAOYSA-N -1 1 322.346 0.420 10 0 DCAEMM CS(=O)(=O)c1nnc(NC(=O)Cc2ccc3c(c2)COC3)[n-]1 ZINC000542688448 416626991 /nfs/dbraw/zinc/62/69/91/416626991.db2.gz HZCWDRXTTJHQNO-UHFFFAOYSA-N -1 1 322.346 0.420 10 0 DCAEMM CS(=O)(=O)c1nc(NC(=O)c2cc3c([nH]2)CCCC3)n[n-]1 ZINC000449837444 417180878 /nfs/dbraw/zinc/18/08/78/417180878.db2.gz YODCIVPSTDYMAH-UHFFFAOYSA-N -1 1 309.351 0.667 10 0 DCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cc3c([nH]2)CCCC3)n1 ZINC000449837444 417180879 /nfs/dbraw/zinc/18/08/79/417180879.db2.gz YODCIVPSTDYMAH-UHFFFAOYSA-N -1 1 309.351 0.667 10 0 DCAEMM COC(=O)COc1cccc(C(=O)NC2(c3nn[n-]n3)CC2)c1 ZINC000357069408 261501840 /nfs/dbraw/zinc/50/18/40/261501840.db2.gz BNBAUQLVHRVYPV-UHFFFAOYSA-N -1 1 317.305 0.171 10 0 DCAEMM NS(=O)(=O)c1cccc(C2=CCCOC2)c1-c1nn[n-]n1 ZINC000584597084 337374319 /nfs/dbraw/zinc/37/43/19/337374319.db2.gz YIYYBRHHRAIYIM-UHFFFAOYSA-N -1 1 307.335 0.318 10 0 DCAEMM CCN1CCC[C@@H]([N-]S(=O)(=O)c2cccnc2F)C1=O ZINC000722349202 660909751 /nfs/dbraw/zinc/90/97/51/660909751.db2.gz NKDMUTIKWIBQLH-SECBINFHSA-N -1 1 301.343 0.510 10 0 DCAEMM CCCN(C)S(=O)(=O)[N-]C(=O)c1[nH]nc2c1CCCC2 ZINC000153823448 665058041 /nfs/dbraw/zinc/05/80/41/665058041.db2.gz UTOVCSWDVVCPBG-UHFFFAOYSA-N -1 1 300.384 0.605 10 0 DCAEMM CCN1CCO[C@@H](C[N-]S(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000134702196 667551368 /nfs/dbraw/zinc/55/13/68/667551368.db2.gz RYPCTNDGGUSVJE-VIFPVBQESA-N -1 1 322.818 0.073 10 0 DCAEMM C[C@@H]([N-]S(=O)(=O)c1cccnc1F)C(=O)NC(C)(C)C ZINC000401840731 768879836 /nfs/dbraw/zinc/87/98/36/768879836.db2.gz RAJWPWFWHNHZEJ-MRVPVSSYSA-N -1 1 303.359 0.802 10 0 DCAEMM C[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])co1)N1CCCC1 ZINC000694176933 976676185 /nfs/dbraw/zinc/67/61/85/976676185.db2.gz LGUJWQGAYAWXSI-VIFPVBQESA-N -1 1 302.352 0.740 10 0 DCAEMM CCOc1ccc(CCNC(=O)Cc2nn[n-]n2)cc1OCC ZINC000004928159 181174601 /nfs/dbraw/zinc/17/46/01/181174601.db2.gz OBODKNFPJUZOIA-UHFFFAOYSA-N -1 1 319.365 0.899 10 0 DCAEMM COCCCOC1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000175993225 237194816 /nfs/dbraw/zinc/19/48/16/237194816.db2.gz KFMBSMKPRPXKIG-UHFFFAOYSA-N -1 1 317.345 0.801 10 0 DCAEMM CN(CC(F)(F)F)C(=O)N1Cc2[nH]cnc2C[C@@H]1C(=O)[O-] ZINC000092779069 395733530 /nfs/dbraw/zinc/73/35/30/395733530.db2.gz NLWVDLQWQBLECF-MRVPVSSYSA-N -1 1 306.244 0.835 10 0 DCAEMM Cc1cnn(CC[N-]S(=O)(=O)c2ncn(C)c2Cl)c1 ZINC000117927876 395856467 /nfs/dbraw/zinc/85/64/67/395856467.db2.gz GQJFFFZZJOOOOM-UHFFFAOYSA-N -1 1 303.775 0.557 10 0 DCAEMM C[C@H]1CN(C(=O)c2c(F)ccc([O-])c2F)CCS1(=O)=O ZINC000280959670 396232438 /nfs/dbraw/zinc/23/24/38/396232438.db2.gz JNPOFPZAKJYXMM-ZETCQYMHSA-N -1 1 305.302 0.930 10 0 DCAEMM CS(=O)(=O)c1nc(NC(=O)c2ccnn2C2CCCC2)n[n-]1 ZINC000487338261 397469321 /nfs/dbraw/zinc/46/93/21/397469321.db2.gz MIQRARNMUUDLMR-UHFFFAOYSA-N -1 1 324.366 0.772 10 0 DCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccnn2C2CCCC2)n1 ZINC000487338261 397469326 /nfs/dbraw/zinc/46/93/26/397469326.db2.gz MIQRARNMUUDLMR-UHFFFAOYSA-N -1 1 324.366 0.772 10 0 DCAEMM CC(=O)c1cc(C(=O)NC2(c3nn[n-]n3)CCCC2)n(C)c1 ZINC000605531811 397667384 /nfs/dbraw/zinc/66/73/84/397667384.db2.gz JLSJVXDUVUFSNE-UHFFFAOYSA-N -1 1 302.338 0.940 10 0 DCAEMM C[C@H](CNC(=O)c1nc2ccccc2c(=O)[n-]1)N1CCOCC1 ZINC000073655534 158056154 /nfs/dbraw/zinc/05/61/54/158056154.db2.gz UTUJYJURQKFPKH-LLVKDONJSA-N -1 1 316.361 0.374 10 0 DCAEMM CC(C)COC[C@H](O)CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000079402400 158079015 /nfs/dbraw/zinc/07/90/15/158079015.db2.gz AUUPSKNUUCDOCU-LLVKDONJSA-N -1 1 319.361 0.686 10 0 DCAEMM CC(C)N1CC[C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C1=O ZINC000114779173 158156168 /nfs/dbraw/zinc/15/61/68/158156168.db2.gz OVYSNLFBQCBABR-LBPRGKRZSA-N -1 1 314.345 0.662 10 0 DCAEMM CC(C)(C)c1[nH]ncc1C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000408135451 160045304 /nfs/dbraw/zinc/04/53/04/160045304.db2.gz YICIWNVQFOTXRS-QMMMGPOBSA-N -1 1 301.368 0.556 10 0 DCAEMM Cc1cnc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c([O-])c1 ZINC000408223369 160063129 /nfs/dbraw/zinc/06/31/29/160063129.db2.gz ISTJBYURFWWRTA-QWHCGFSZSA-N -1 1 305.378 0.888 10 0 DCAEMM CC(C)CCS(=O)(=O)N1Cc2[nH]cnc2C[C@@H]1C(=O)[O-] ZINC000092778448 415545429 /nfs/dbraw/zinc/54/54/29/415545429.db2.gz OCGIAAMLFOKIJP-LLVKDONJSA-N -1 1 301.368 0.597 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)c1ncccc1Br ZINC000356928356 416007698 /nfs/dbraw/zinc/00/76/98/416007698.db2.gz IZOHZAAIFVAIAC-UHFFFAOYSA-N -1 1 309.127 0.776 10 0 DCAEMM COC(=O)c1cccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)n1 ZINC000532793386 416454745 /nfs/dbraw/zinc/45/47/45/416454745.db2.gz PRFNJKZFZVUQKH-SECBINFHSA-N -1 1 316.321 0.401 10 0 DCAEMM C[C@@H]1CC[C@H](CCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)O1 ZINC000439151731 416608889 /nfs/dbraw/zinc/60/88/89/416608889.db2.gz KUOJNBJCKULLJJ-HTQZYQBOSA-N -1 1 302.356 0.494 10 0 DCAEMM C[C@@H]1CC[C@H](CCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)O1 ZINC000439151731 416608892 /nfs/dbraw/zinc/60/88/92/416608892.db2.gz KUOJNBJCKULLJJ-HTQZYQBOSA-N -1 1 302.356 0.494 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)c1ccnc(N2CCCC2)n1 ZINC000514634655 416665673 /nfs/dbraw/zinc/66/56/73/416665673.db2.gz JQKDXFNCUZAFIB-UHFFFAOYSA-N -1 1 300.326 0.009 10 0 DCAEMM CO[C@H](C)c1nc(=NCCC(=O)N2CCOCC2)s[n-]1 ZINC000380046683 417087784 /nfs/dbraw/zinc/08/77/84/417087784.db2.gz BCRMHCFHBFXCEC-SECBINFHSA-N -1 1 300.384 0.328 10 0 DCAEMM C[C@H]1CCNC(=O)[C@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000194783470 261148224 /nfs/dbraw/zinc/14/82/24/261148224.db2.gz JCLIBVCAOWWXMZ-KWQFWETISA-N -1 1 300.318 0.178 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H](CO)CC(C)C)o1 ZINC000184577704 522273228 /nfs/dbraw/zinc/27/32/28/522273228.db2.gz AVPNBRQBBFJOGI-JTQLQIEISA-N -1 1 318.395 0.667 10 0 DCAEMM CC(C)NC(=O)CCNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000079096159 545686209 /nfs/dbraw/zinc/68/62/09/545686209.db2.gz BWFGQEUXVKENHX-UHFFFAOYSA-N -1 1 302.334 0.568 10 0 DCAEMM COC[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1ccccc1 ZINC000727856855 662256454 /nfs/dbraw/zinc/25/64/54/662256454.db2.gz GTLKMHKOPCQZGB-ZDUSSCGKSA-N -1 1 317.345 0.431 10 0 DCAEMM C/C(=C/C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1)C1CC1 ZINC000886096909 667731511 /nfs/dbraw/zinc/73/15/11/667731511.db2.gz OBELPBRGIDRZKE-UILAEWCASA-N -1 1 308.378 0.731 10 0 DCAEMM C[C@@H](O)[C@@H](O)CNC(=O)c1ccc(Br)cc1[O-] ZINC000717388850 667749947 /nfs/dbraw/zinc/74/99/47/667749947.db2.gz YHAKDNUVDVJKQJ-LDWIPMOCSA-N -1 1 304.140 0.626 10 0 DCAEMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000130321297 669615462 /nfs/dbraw/zinc/61/54/62/669615462.db2.gz KPIRUMBRZDUONK-VXGBXAGGSA-N -1 1 302.334 0.858 10 0 DCAEMM C[C@@H](C(=O)[O-])N(C)C(=O)N[C@H]1CCCN2CCSC[C@H]12 ZINC000720482219 685313094 /nfs/dbraw/zinc/31/30/94/685313094.db2.gz KAOVKXMMABNUDW-GARJFASQSA-N -1 1 301.412 0.681 10 0 DCAEMM CCN(CC(=O)[O-])C(=O)N[C@H]1CCCN2CCSC[C@H]12 ZINC000720480579 685314019 /nfs/dbraw/zinc/31/40/19/685314019.db2.gz DOEIWFHNSTVWDS-WDEREUQCSA-N -1 1 301.412 0.682 10 0 DCAEMM COC[C@@]1(C(=O)[O-])CCCCN1CCS(=O)(=O)C(C)C ZINC000692333233 976423331 /nfs/dbraw/zinc/42/33/31/976423331.db2.gz VZJMIKQDJJSAHC-CYBMUJFWSA-N -1 1 307.412 0.765 10 0 DCAEMM NC(=O)[C@H]1COCCN1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000180229996 199133539 /nfs/dbraw/zinc/13/35/39/199133539.db2.gz IAORINJAJKURFW-GFCCVEGCSA-N -1 1 304.302 0.185 10 0 DCAEMM O=C([O-])[C@@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc(F)cc1 ZINC000006537388 181352143 /nfs/dbraw/zinc/35/21/43/181352143.db2.gz UNXQUSWWSBJXCJ-LLVKDONJSA-N -1 1 313.310 0.523 10 0 DCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H]1CCC[C@H]1O ZINC000089169498 395709019 /nfs/dbraw/zinc/70/90/19/395709019.db2.gz UJQNCFJYMITNIK-PSASIEDQSA-N -1 1 317.367 0.026 10 0 DCAEMM CSC[C@](C)(O)CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000121558953 395884816 /nfs/dbraw/zinc/88/48/16/395884816.db2.gz TTYOHEVLQOFLBZ-CQSZACIVSA-N -1 1 307.375 0.767 10 0 DCAEMM CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nnn[n-]1 ZINC000135467244 395940444 /nfs/dbraw/zinc/94/04/44/395940444.db2.gz ZBTSOSWOIOTNJA-GXSJLCMTSA-N -1 1 302.338 0.983 10 0 DCAEMM CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nn[n-]n1 ZINC000135467244 395940447 /nfs/dbraw/zinc/94/04/47/395940447.db2.gz ZBTSOSWOIOTNJA-GXSJLCMTSA-N -1 1 302.338 0.983 10 0 DCAEMM O=S(=O)([N-]C[C@]1(O)CCOC1)c1c(F)cccc1Cl ZINC000185875484 396336032 /nfs/dbraw/zinc/33/60/32/396336032.db2.gz JMKOJMRZVSIPNE-LLVKDONJSA-N -1 1 309.746 0.909 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)[C@H](OC)C2)o1 ZINC000187890073 396375648 /nfs/dbraw/zinc/37/56/48/396375648.db2.gz LYETWBNDSVGGEX-MWLCHTKSSA-N -1 1 316.379 0.685 10 0 DCAEMM CC[C@@H](NS(=O)(=O)C[C@@H]1CNCCO1)c1nccs1 ZINC000382380929 397274346 /nfs/dbraw/zinc/27/43/46/397274346.db2.gz RHDAGSGHICJSPJ-VHSXEESVSA-N -1 1 305.425 0.502 10 0 DCAEMM Cc1ccc2c([O-])c(C(=O)N3C[C@@H](C)O[C@@H](CO)C3)cnc2n1 ZINC000408283573 160075888 /nfs/dbraw/zinc/07/58/88/160075888.db2.gz MBEWZCYQSVYRFS-GHMZBOCLSA-N -1 1 317.345 0.866 10 0 DCAEMM Cc1ccc2c(=O)c(C(=O)N3C[C@@H](C)O[C@@H](CO)C3)c[n-]c2n1 ZINC000408283573 160075891 /nfs/dbraw/zinc/07/58/91/160075891.db2.gz MBEWZCYQSVYRFS-GHMZBOCLSA-N -1 1 317.345 0.866 10 0 DCAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCO[C@H](CO)C1 ZINC000408374602 160094406 /nfs/dbraw/zinc/09/44/06/160094406.db2.gz PLWDAOGCSBDJRO-JTQLQIEISA-N -1 1 309.366 0.621 10 0 DCAEMM CC[C@H](C)NC(=O)CCNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000079420213 286924819 /nfs/dbraw/zinc/92/48/19/286924819.db2.gz LSTNSFFBFANUTI-JTQLQIEISA-N -1 1 316.361 0.958 10 0 DCAEMM COC(=O)c1cccc(CC(=O)NC2(c3nn[n-]n3)CC2)c1 ZINC000357062140 416028420 /nfs/dbraw/zinc/02/84/20/416028420.db2.gz WZNAJORSDAFLMF-UHFFFAOYSA-N -1 1 301.306 0.334 10 0 DCAEMM O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1nc2ccccc2c(=O)[n-]1 ZINC000175406035 416104566 /nfs/dbraw/zinc/10/45/66/416104566.db2.gz XISMWXZEJYWEAG-VIFPVBQESA-N -1 1 312.329 0.416 10 0 DCAEMM O=C(C1CCC(F)(F)CC1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000368579187 416670443 /nfs/dbraw/zinc/67/04/43/416670443.db2.gz 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/nfs/dbraw/zinc/17/94/04/417179404.db2.gz JOZHOTPWLINCMC-LURJTMIESA-N -1 1 308.310 0.972 10 0 DCAEMM NC(=O)N[C@H](CC(=O)NC1(c2nn[n-]n2)CC1)c1ccccc1 ZINC000574951451 417496274 /nfs/dbraw/zinc/49/62/74/417496274.db2.gz WRJHWSJIXAGOBC-SNVBAGLBSA-N -1 1 315.337 0.105 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000552492597 288276335 /nfs/dbraw/zinc/27/63/35/288276335.db2.gz RQKFIJLNRCQMGU-JTQLQIEISA-N -1 1 307.741 0.735 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCS[C@@H](C)C2)co1 ZINC000130777401 522262412 /nfs/dbraw/zinc/26/24/12/522262412.db2.gz ZEVQIGPMZFYLCT-QMMMGPOBSA-N -1 1 304.393 0.765 10 0 DCAEMM Cc1nn(C)cc1NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000172764818 664624969 /nfs/dbraw/zinc/62/49/69/664624969.db2.gz DSVWZOCKWYNEEC-UHFFFAOYSA-N -1 1 314.349 0.863 10 0 DCAEMM Cc1nc(CCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cs1 ZINC000733361009 666506117 /nfs/dbraw/zinc/50/61/17/666506117.db2.gz ZFQGOPLOLUAZNZ-UHFFFAOYSA-N -1 1 315.380 0.544 10 0 DCAEMM 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/nfs/dbraw/zinc/22/61/41/158226141.db2.gz ZMNSTLSYBGNXHT-UHFFFAOYSA-N -1 1 316.361 0.910 10 0 DCAEMM C[C@@H](CN1CCCC1=O)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000079414938 415470948 /nfs/dbraw/zinc/47/09/48/415470948.db2.gz RBAGAYLYHAHVQS-JTQLQIEISA-N -1 1 314.345 0.664 10 0 DCAEMM C[C@H](CN1CCCC1=O)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000079414942 415472353 /nfs/dbraw/zinc/47/23/53/415472353.db2.gz RBAGAYLYHAHVQS-SNVBAGLBSA-N -1 1 314.345 0.664 10 0 DCAEMM CCc1nc(C(=O)NC2(c3nn[n-]n3)CC2)nn1-c1ccccc1 ZINC000357058294 416026625 /nfs/dbraw/zinc/02/66/25/416026625.db2.gz ZNWYAUQWILUREB-UHFFFAOYSA-N -1 1 324.348 0.762 10 0 DCAEMM CC(C)(C)OC(=O)NCCN1CCOCC[C@H]1c1nn[n-]n1 ZINC000616656161 417091067 /nfs/dbraw/zinc/09/10/67/417091067.db2.gz LBYXRJPPLPRPEG-JTQLQIEISA-N -1 1 312.374 0.488 10 0 DCAEMM CCc1nn(C)c(CC)c1CC(=O)NC1(c2nn[n-]n2)CC1 ZINC000362173330 262006834 /nfs/dbraw/zinc/00/68/34/262006834.db2.gz LYDGTHONZVOVAT-UHFFFAOYSA-N -1 1 303.370 0.406 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCOCC[C@H]2C)co1 ZINC000362241581 262014698 /nfs/dbraw/zinc/01/46/98/262014698.db2.gz WSQQPZHJTRPOIC-SECBINFHSA-N -1 1 302.352 0.439 10 0 DCAEMM C[C@H](CN(C)C(=O)[C@@H](C)NC(=O)c1ccccc1)c1nn[n-]n1 ZINC000548467041 288146505 /nfs/dbraw/zinc/14/65/05/288146505.db2.gz RULICTKTKMKOMK-GHMZBOCLSA-N -1 1 316.365 0.580 10 0 DCAEMM Cc1cccc2nc(CCC(=O)NC[C@](C)(O)C(=O)[O-])[nH]c21 ZINC000262329195 302051241 /nfs/dbraw/zinc/05/12/41/302051241.db2.gz AQAFCYYEUNYYMI-HNNXBMFYSA-N -1 1 305.334 0.756 10 0 DCAEMM Cc1c(C(=O)NC2(c3nn[n-]n3)CC2)nnn1-c1ccc(C)cc1 ZINC000357083663 533777168 /nfs/dbraw/zinc/77/71/68/533777168.db2.gz ZBOQRSXZRLJRPN-UHFFFAOYSA-N -1 1 324.348 0.816 10 0 DCAEMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H](N(C)C)C1 ZINC000062966816 661271755 /nfs/dbraw/zinc/27/17/55/661271755.db2.gz VJPOKHVLHVEVQQ-VIFPVBQESA-N -1 1 302.352 0.611 10 0 DCAEMM CC1(C)CN(CCC[N-]C(=O)C(F)(F)F)CCS1(=O)=O ZINC000091591307 658876442 /nfs/dbraw/zinc/87/64/42/658876442.db2.gz SGFPJNCDUAYPPL-UHFFFAOYSA-N -1 1 316.345 0.564 10 0 DCAEMM Cc1cc(C)n(CCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)n1 ZINC000725894088 659239569 /nfs/dbraw/zinc/23/95/69/659239569.db2.gz RPJXRNOKMQCPNQ-UHFFFAOYSA-N -1 1 312.355 0.050 10 0 DCAEMM Cc1cc(C)n(CCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)n1 ZINC000725894088 659239572 /nfs/dbraw/zinc/23/95/72/659239572.db2.gz RPJXRNOKMQCPNQ-UHFFFAOYSA-N -1 1 312.355 0.050 10 0 DCAEMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CCCCNC1=O ZINC000048666192 661956717 /nfs/dbraw/zinc/95/67/17/661956717.db2.gz XYSCMJNZTXFPQB-MRVPVSSYSA-N -1 1 320.802 0.329 10 0 DCAEMM CC1(CNC(=O)c2nc3ccccc3c(=O)[n-]2)OCCCO1 ZINC000192268512 662151117 /nfs/dbraw/zinc/15/11/17/662151117.db2.gz ZDRWDDQMJXCSQC-UHFFFAOYSA-N -1 1 303.318 0.806 10 0 DCAEMM CCCCCCOCC(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000730832802 664818198 /nfs/dbraw/zinc/81/81/98/664818198.db2.gz USZJQCVLVHXTSF-UHFFFAOYSA-N -1 1 304.372 0.744 10 0 DCAEMM CCCCCCOCC(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000730832802 664818199 /nfs/dbraw/zinc/81/81/99/664818199.db2.gz USZJQCVLVHXTSF-UHFFFAOYSA-N -1 1 304.372 0.744 10 0 DCAEMM CC(C)c1cc(N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)ncn1 ZINC000886095360 667731384 /nfs/dbraw/zinc/73/13/84/667731384.db2.gz TUKUPIFQWPZLBK-MRXNPFEDSA-N -1 1 320.393 0.966 10 0 DCAEMM COc1ncc(S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F)s1 ZINC000717381559 667735904 /nfs/dbraw/zinc/73/59/04/667735904.db2.gz ZDAXSEHTJUMKMP-RXMQYKEDSA-N -1 1 320.314 0.743 10 0 DCAEMM C[C@H](O)[C@@H](O)CNC(=O)c1ccc(Br)cc1[O-] ZINC000717388928 667749696 /nfs/dbraw/zinc/74/96/96/667749696.db2.gz YHAKDNUVDVJKQJ-WKEGUHRASA-N -1 1 304.140 0.626 10 0 DCAEMM CC[C@H](NC(=O)N[C@H]1CCCN2CCSC[C@H]12)C(=O)[O-] ZINC000720479764 685313607 /nfs/dbraw/zinc/31/36/07/685313607.db2.gz BTZSMWQLLGXQMR-GARJFASQSA-N -1 1 301.412 0.729 10 0 DCAEMM CC[C@H](NC(=O)N[C@H]1CCCN2CCSC[C@@H]12)C(=O)[O-] ZINC000720479763 685313693 /nfs/dbraw/zinc/31/36/93/685313693.db2.gz BTZSMWQLLGXQMR-DCAQKATOSA-N -1 1 301.412 0.729 10 0 DCAEMM O=C([O-])CCc1cc2n(n1)CCN(c1ncc3nc[nH]c3n1)C2 ZINC000072406771 191153035 /nfs/dbraw/zinc/15/30/35/191153035.db2.gz CMQUDJMXZQRBNY-UHFFFAOYSA-N -1 1 313.321 0.587 10 0 DCAEMM Cc1nc(C[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)no1 ZINC000173398746 198209920 /nfs/dbraw/zinc/20/99/20/198209920.db2.gz CXZBNDDTSXWHBI-UHFFFAOYSA-N -1 1 322.346 0.142 10 0 DCAEMM O=C([O-])[C@@H](Cc1cnc[nH]1)N1C(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O ZINC000002451761 304094883 /nfs/dbraw/zinc/09/48/83/304094883.db2.gz MMZUYMRACDCOMP-QRIQYOGLSA-N -1 1 301.302 0.213 10 0 DCAEMM CO[C@H](C)c1nc(=NC2CCN(S(C)(=O)=O)CC2)s[n-]1 ZINC000400203226 533119481 /nfs/dbraw/zinc/11/94/81/533119481.db2.gz PLBISDMJVQSNNO-MRVPVSSYSA-N -1 1 320.440 0.503 10 0 DCAEMM Nc1nc2c(c(=O)[nH]1)N[C@H](CNc1ccc(C(=O)[O-])cc1)CN2 ZINC000013513941 257133723 /nfs/dbraw/zinc/13/37/23/257133723.db2.gz OXIZGFYJYJOABB-SECBINFHSA-N -1 1 316.321 0.781 10 0 in-vitro DCAEMM O=S(=O)([N-][C@@H]1CCc2ncnn2C1)c1cccc(F)c1F ZINC000113298367 395829213 /nfs/dbraw/zinc/82/92/13/395829213.db2.gz JLIZGXJFQSWXJB-MRVPVSSYSA-N -1 1 314.317 0.850 10 0 DCAEMM CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1nnn[n-]1 ZINC000135467189 395940598 /nfs/dbraw/zinc/94/05/98/395940598.db2.gz ZBTSOSWOIOTNJA-KOLCDFICSA-N -1 1 302.338 0.983 10 0 DCAEMM CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1nn[n-]n1 ZINC000135467189 395940599 /nfs/dbraw/zinc/94/05/99/395940599.db2.gz ZBTSOSWOIOTNJA-KOLCDFICSA-N -1 1 302.338 0.983 10 0 DCAEMM COc1cccc(CCC(=O)NC2(c3nn[n-]n3)CC2)c1OC ZINC000584695322 396614943 /nfs/dbraw/zinc/61/49/43/396614943.db2.gz SGRGCCNAAAOWFF-UHFFFAOYSA-N -1 1 317.349 0.955 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000577917228 397370394 /nfs/dbraw/zinc/37/03/94/397370394.db2.gz MMFNUXORNIHTMV-JTQLQIEISA-N -1 1 318.381 0.486 10 0 DCAEMM COC(=O)[C@H]1C[C@@H]1C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000114411436 158153182 /nfs/dbraw/zinc/15/31/82/158153182.db2.gz WDGKNIUXICDLME-UWVGGRQHSA-N -1 1 318.333 0.065 10 0 DCAEMM Cc1ccc2c([O-])c(C(=O)N3CC(=O)N(C)[C@@H](C)C3)cnc2n1 ZINC000407974339 160000883 /nfs/dbraw/zinc/00/08/83/160000883.db2.gz SXUPZHUMLQRGQI-JTQLQIEISA-N -1 1 314.345 0.947 10 0 DCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC(=O)N(C)[C@@H](C)C1)c2=O ZINC000407974339 160000886 /nfs/dbraw/zinc/00/08/86/160000886.db2.gz SXUPZHUMLQRGQI-JTQLQIEISA-N -1 1 314.345 0.947 10 0 DCAEMM CCC[C@H]1C(=O)NCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000132865456 287007575 /nfs/dbraw/zinc/00/75/75/287007575.db2.gz JTRUMEAXCJTGQA-LBPRGKRZSA-N -1 1 314.345 0.664 10 0 DCAEMM CCN1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)C1 ZINC000107699811 415673555 /nfs/dbraw/zinc/67/35/55/415673555.db2.gz NQYVOAGTNHGVBT-JTQLQIEISA-N -1 1 316.379 0.829 10 0 DCAEMM CCC(CC)N1C[C@H](C(=O)NC2(c3nn[n-]n3)CC2)CC1=O ZINC000357076929 416029997 /nfs/dbraw/zinc/02/99/97/416029997.db2.gz NDAIINUVHXOEJU-SECBINFHSA-N -1 1 306.370 0.342 10 0 DCAEMM CCNC(=O)C1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000175557775 416109081 /nfs/dbraw/zinc/10/90/81/416109081.db2.gz IBEDHWNFLRVAHZ-UHFFFAOYSA-N -1 1 300.318 0.131 10 0 DCAEMM O=C(CNC(=O)c1nc2ccccc2c(=O)[n-]1)NCC1CC1 ZINC000180076252 416193837 /nfs/dbraw/zinc/19/38/37/416193837.db2.gz JSSXEIGSAVWQGA-UHFFFAOYSA-N -1 1 300.318 0.179 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-]CC2(C)OCCCO2)c1Cl ZINC000192222685 416302374 /nfs/dbraw/zinc/30/23/74/416302374.db2.gz RNBYMMJZJDMKIT-UHFFFAOYSA-N -1 1 309.775 0.505 10 0 DCAEMM CC(C)Nc1ncccc1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000439149634 416608167 /nfs/dbraw/zinc/60/81/67/416608167.db2.gz CNSYAIDFEKIISP-UHFFFAOYSA-N -1 1 324.366 0.676 10 0 DCAEMM CC(C)Nc1ncccc1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000439149634 416608171 /nfs/dbraw/zinc/60/81/71/416608171.db2.gz CNSYAIDFEKIISP-UHFFFAOYSA-N -1 1 324.366 0.676 10 0 DCAEMM CC(C)[C@@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)c1cccnc1 ZINC000437387142 416583386 /nfs/dbraw/zinc/58/33/86/416583386.db2.gz QPAUJBSEYAFMCU-SNVBAGLBSA-N -1 1 323.378 0.982 10 0 DCAEMM CC(C)[C@@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)c1cccnc1 ZINC000437387142 416583389 /nfs/dbraw/zinc/58/33/89/416583389.db2.gz QPAUJBSEYAFMCU-SNVBAGLBSA-N -1 1 323.378 0.982 10 0 DCAEMM COc1ccc2c(c1)OC[C@@H]2CC(=O)NC1(c2nn[n-]n2)CC1 ZINC000558715448 416790551 /nfs/dbraw/zinc/79/05/51/416790551.db2.gz UKOSNODMCIWLFJ-VIFPVBQESA-N -1 1 315.333 0.880 10 0 DCAEMM C[C@H]1CCC[C@@H](OCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1 ZINC000522139939 417049405 /nfs/dbraw/zinc/04/94/05/417049405.db2.gz AVSQIWNZPGZZDT-DTWKUNHWSA-N -1 1 316.383 0.742 10 0 DCAEMM C[C@H]1CCC[C@@H](OCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC000522139939 417049408 /nfs/dbraw/zinc/04/94/08/417049408.db2.gz AVSQIWNZPGZZDT-DTWKUNHWSA-N -1 1 316.383 0.742 10 0 DCAEMM O=S(=O)(c1ccccc1)N1CCOCC[C@@H]1c1nn[n-]n1 ZINC000616596911 417082886 /nfs/dbraw/zinc/08/28/86/417082886.db2.gz DUKCEKWEMVBKSH-LLVKDONJSA-N -1 1 309.351 0.352 10 0 DCAEMM O=S(=O)(c1ccccc1)N1CCOCC[C@H]1c1nn[n-]n1 ZINC000616597018 417083973 /nfs/dbraw/zinc/08/39/73/417083973.db2.gz DUKCEKWEMVBKSH-NSHDSACASA-N -1 1 309.351 0.352 10 0 DCAEMM CC(C)(C)OC(=O)NCCN1CCO[C@@H](c2nn[n-]n2)CC1 ZINC000616666130 417091151 /nfs/dbraw/zinc/09/11/51/417091151.db2.gz HVJRMACHCPUGCN-SNVBAGLBSA-N -1 1 312.374 0.488 10 0 DCAEMM C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000194783429 261148346 /nfs/dbraw/zinc/14/83/46/261148346.db2.gz JCLIBVCAOWWXMZ-LDYMZIIASA-N -1 1 300.318 0.178 10 0 DCAEMM COCc1ncsc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000550321768 288215307 /nfs/dbraw/zinc/21/53/07/288215307.db2.gz UTBWIEAPGFDUIP-QMMMGPOBSA-N -1 1 308.367 0.822 10 0 DCAEMM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)[C@H](C1CC1)N1CCCC1 ZINC000408483874 303819061 /nfs/dbraw/zinc/81/90/61/303819061.db2.gz MUIIKRKWCHRKTG-OLZOCXBDSA-N -1 1 316.423 0.486 10 0 DCAEMM CN1CC[C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)CC1=O ZINC000194757162 545933429 /nfs/dbraw/zinc/93/34/29/545933429.db2.gz ZUCASOQGZKYSEN-VIFPVBQESA-N -1 1 300.318 0.274 10 0 DCAEMM COc1ccnc(N2CCN(c3cnc(C(=O)[O-])cn3)CC2)c1 ZINC000263411775 1185178450 /nfs/dbraw/zinc/17/84/50/1185178450.db2.gz MNJXSVUSCSCHLE-UHFFFAOYSA-N -1 1 315.333 0.905 10 0 DCAEMM CN(CCS(=O)(=O)CC(=O)[O-])C[C@]12CCC[C@H]1OCC2 ZINC000687487600 954617706 /nfs/dbraw/zinc/61/77/06/954617706.db2.gz MAJRKAWSNOESCQ-DGCLKSJQSA-N -1 1 305.396 0.377 10 0 DCAEMM O=C([O-])[C@@H]1Cc2nc[nH]c2CN1S(=O)(=O)c1ccsc1 ZINC000285259009 304151030 /nfs/dbraw/zinc/15/10/30/304151030.db2.gz VEMPFLOFSQJMAJ-JTQLQIEISA-N -1 1 313.360 0.671 10 0 DCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)C[C@H]1CCCO1 ZINC000104885567 194050147 /nfs/dbraw/zinc/05/01/47/194050147.db2.gz OSNJFOVSJDNHBG-GFCCVEGCSA-N -1 1 318.377 0.819 10 0 DCAEMM COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cncc([O-])c1 ZINC000178046367 396188756 /nfs/dbraw/zinc/18/87/56/396188756.db2.gz KJCITQPRSHYSAR-LLVKDONJSA-N -1 1 303.322 0.790 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](CO)CC(C)C)co1 ZINC000184553593 396298635 /nfs/dbraw/zinc/29/86/35/396298635.db2.gz QTZNJPKGANLGPW-LLVKDONJSA-N -1 1 318.395 0.667 10 0 DCAEMM O=S(=O)([N-][C@@H]1CCOC[C@@H]1O)c1ccc(F)c(F)c1F ZINC000625593399 396939771 /nfs/dbraw/zinc/93/97/71/396939771.db2.gz AIEOAQMWMSDJHW-SFYZADRCSA-N -1 1 311.281 0.532 10 0 DCAEMM Cc1cc2cn[nH]c2c(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c1 ZINC000408382960 160096909 /nfs/dbraw/zinc/09/69/09/160096909.db2.gz FXXATQQIDBCGSE-JTQLQIEISA-N -1 1 309.347 0.720 10 0 DCAEMM CC(=O)NC1CN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C1 ZINC000276219863 415453463 /nfs/dbraw/zinc/45/34/63/415453463.db2.gz QIXVWPFYDTURNF-UHFFFAOYSA-N -1 1 306.366 0.749 10 0 DCAEMM C[C@@](O)(CO)CNC(=O)c1ccc(Br)cc1[O-] ZINC000090287212 415532576 /nfs/dbraw/zinc/53/25/76/415532576.db2.gz YSPKTIPEFRCMKO-NSHDSACASA-N -1 1 304.140 0.628 10 0 DCAEMM O=C(Nc1nnn[n-]1)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000102894798 415601377 /nfs/dbraw/zinc/60/13/77/415601377.db2.gz DNEYNXHPOSBXDY-NSHDSACASA-N -1 1 300.322 0.229 10 0 DCAEMM O=C(Nc1nn[n-]n1)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000102894798 415601382 /nfs/dbraw/zinc/60/13/82/415601382.db2.gz DNEYNXHPOSBXDY-NSHDSACASA-N -1 1 300.322 0.229 10 0 DCAEMM CN1C(=O)C[C@@H](C(=O)Nc2nnn[n-]2)[C@@H]1c1ccc(F)cc1 ZINC000135109605 415958063 /nfs/dbraw/zinc/95/80/63/415958063.db2.gz NIRXJZQBTBJEEE-KOLCDFICSA-N -1 1 304.285 0.497 10 0 DCAEMM CN1C(=O)C[C@@H](C(=O)Nc2nn[n-]n2)[C@@H]1c1ccc(F)cc1 ZINC000135109605 415958069 /nfs/dbraw/zinc/95/80/69/415958069.db2.gz NIRXJZQBTBJEEE-KOLCDFICSA-N -1 1 304.285 0.497 10 0 DCAEMM CC(C)(C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)c1cccnc1 ZINC000358462619 416240876 /nfs/dbraw/zinc/24/08/76/416240876.db2.gz ZYCHKEGDBPUGMU-UHFFFAOYSA-N -1 1 309.351 0.520 10 0 DCAEMM CC(C)(C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)c1cccnc1 ZINC000358462619 416240879 /nfs/dbraw/zinc/24/08/79/416240879.db2.gz ZYCHKEGDBPUGMU-UHFFFAOYSA-N -1 1 309.351 0.520 10 0 DCAEMM C[C@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)N1CCCCCC1 ZINC000439144363 416609146 /nfs/dbraw/zinc/60/91/46/416609146.db2.gz BFSFXEZTIIPWNZ-SECBINFHSA-N -1 1 315.399 0.411 10 0 DCAEMM C[C@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)N1CCCCCC1 ZINC000439144363 416609148 /nfs/dbraw/zinc/60/91/48/416609148.db2.gz BFSFXEZTIIPWNZ-SECBINFHSA-N -1 1 315.399 0.411 10 0 DCAEMM O=C(CN1CCc2ccccc2C1=O)NC1(c2nn[n-]n2)CC1 ZINC000447584197 417010667 /nfs/dbraw/zinc/01/06/67/417010667.db2.gz DUVUCZBUOLCHLU-UHFFFAOYSA-N -1 1 312.333 0.004 10 0 DCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2CCCCC2(F)F)n1 ZINC000449834045 271861874 /nfs/dbraw/zinc/86/18/74/271861874.db2.gz JOZHOTPWLINCMC-ZCFIWIBFSA-N -1 1 308.310 0.972 10 0 DCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2CCCCC2(F)F)[n-]1 ZINC000449834045 271861877 /nfs/dbraw/zinc/86/18/77/271861877.db2.gz JOZHOTPWLINCMC-ZCFIWIBFSA-N -1 1 308.310 0.972 10 0 DCAEMM O=C([O-])[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccsc1 ZINC000551995870 288256411 /nfs/dbraw/zinc/25/64/11/288256411.db2.gz WRFSPEIYPRVDDW-VIFPVBQESA-N -1 1 301.349 0.445 10 0 DCAEMM NC(=O)[C@H]1COCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000180270314 303333663 /nfs/dbraw/zinc/33/36/63/303333663.db2.gz PUIDLZBFBDEDDZ-CYBMUJFWSA-N -1 1 300.314 0.872 10 0 DCAEMM O=C(CN1CCCCCC1=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000584401619 337318876 /nfs/dbraw/zinc/31/88/76/337318876.db2.gz SINGUVSSKLVPIL-NSHDSACASA-N -1 1 306.370 0.308 10 0 DCAEMM CC(C)n1ccc(CN2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC000886071991 667728343 /nfs/dbraw/zinc/72/83/43/667728343.db2.gz VHDBIWNCDHUYFC-INIZCTEOSA-N -1 1 322.409 0.825 10 0 DCAEMM O=C([O-])[C@@]1(N2CCN(C(=O)CCc3ccco3)CC2)CCOC1 ZINC000886077924 667729015 /nfs/dbraw/zinc/72/90/15/667729015.db2.gz RBQRWRWKSIOLJQ-MRXNPFEDSA-N -1 1 322.361 0.600 10 0 DCAEMM O=C(c1ccc(Br)cc1[O-])N1C[C@H](CO)[C@H](O)C1 ZINC000316181105 1190413012 /nfs/dbraw/zinc/41/30/12/1190413012.db2.gz QCLZDOCFMKIFTA-RDDDGLTNSA-N -1 1 316.151 0.580 10 0 DCAEMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC(=O)NCC1CC1 ZINC000179929807 199095303 /nfs/dbraw/zinc/09/53/03/199095303.db2.gz KHGWNVKNEHGROF-UHFFFAOYSA-N -1 1 320.802 0.186 10 0 DCAEMM Cc1noc([C@@H]2CN(C(=O)c3ncccc3[O-])CCN2C)n1 ZINC000284782615 131110768 /nfs/dbraw/zinc/11/07/68/131110768.db2.gz YHWXBVMIFMGEPQ-JTQLQIEISA-N -1 1 303.322 0.608 10 0 DCAEMM Cc1noc([C@H]2CN(C(=O)c3ncccc3[O-])CCN2C)n1 ZINC000284782619 131110944 /nfs/dbraw/zinc/11/09/44/131110944.db2.gz YHWXBVMIFMGEPQ-SNVBAGLBSA-N -1 1 303.322 0.608 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2O)c1Cl ZINC000085985533 395702486 /nfs/dbraw/zinc/70/24/86/395702486.db2.gz OCUDNQQPZAPZCB-RKDXNWHRSA-N -1 1 307.803 0.903 10 0 DCAEMM CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cc(C(=O)OC)co2)C1 ZINC000152052358 395999569 /nfs/dbraw/zinc/99/95/69/395999569.db2.gz MUDUECPJSXXXIQ-NSHDSACASA-N -1 1 316.379 0.829 10 0 DCAEMM C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000180873795 396235320 /nfs/dbraw/zinc/23/53/20/396235320.db2.gz SOHIBWVHNJCOQN-VHSXEESVSA-N -1 1 314.345 0.649 10 0 DCAEMM C[C@@H](CN(C)C(=O)[C@@H]1CCCN1c1nccs1)c1nn[n-]n1 ZINC000124357498 158240621 /nfs/dbraw/zinc/24/06/21/158240621.db2.gz YFTZUUDZCKSLFZ-UWVGGRQHSA-N -1 1 321.410 0.887 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cscn2)co1 ZINC000125080024 158251040 /nfs/dbraw/zinc/25/10/40/158251040.db2.gz ZPSVAZDJHKRDIP-UHFFFAOYSA-N -1 1 301.349 0.574 10 0 DCAEMM CN(C)C(=O)C1(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)CC1 ZINC000408066887 160027526 /nfs/dbraw/zinc/02/75/26/160027526.db2.gz FVDQROSHQDKXRM-VIFPVBQESA-N -1 1 308.338 0.350 10 0 DCAEMM Cc1cnc(C(=O)N2CCc3c(ncn(C)c3=O)C2)c([O-])c1 ZINC000408324808 160085479 /nfs/dbraw/zinc/08/54/79/160085479.db2.gz RIUANQYSTRCQET-UHFFFAOYSA-N -1 1 300.318 0.388 10 0 DCAEMM CCOC(=O)C[C@@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000152113650 287038744 /nfs/dbraw/zinc/03/87/44/287038744.db2.gz AANFVYHVBBOVIT-SECBINFHSA-N -1 1 303.318 0.995 10 0 DCAEMM CCNc1nc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cs1 ZINC000494374822 412417050 /nfs/dbraw/zinc/41/70/50/412417050.db2.gz MPTHCYGWQJKPKS-UHFFFAOYSA-N -1 1 316.368 0.349 10 0 DCAEMM CCNc1nc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cs1 ZINC000494374822 412417052 /nfs/dbraw/zinc/41/70/52/412417052.db2.gz MPTHCYGWQJKPKS-UHFFFAOYSA-N -1 1 316.368 0.349 10 0 DCAEMM O=C(CCNC(=O)C1CCCCC1)NC1(c2nn[n-]n2)CC1 ZINC000357046906 416024700 /nfs/dbraw/zinc/02/47/00/416024700.db2.gz DTNSRGZZLFZOLV-UHFFFAOYSA-N -1 1 306.370 0.392 10 0 DCAEMM Cc1cc(C(=O)NC2(c3nn[n-]n3)CC2)nc(C(F)(F)F)n1 ZINC000357040584 416025021 /nfs/dbraw/zinc/02/50/21/416025021.db2.gz DLBMGXRZDIISOL-UHFFFAOYSA-N -1 1 313.243 0.736 10 0 DCAEMM COc1ccc2c(c1)C=C(C(=O)NC1(c3nn[n-]n3)CC1)CO2 ZINC000357073140 416031063 /nfs/dbraw/zinc/03/10/63/416031063.db2.gz HVRKMDFIGVFGGU-UHFFFAOYSA-N -1 1 313.317 0.790 10 0 DCAEMM NS(=O)(=O)c1cccc(C2=CCOCC2)c1-c1nn[n-]n1 ZINC000584596528 337374278 /nfs/dbraw/zinc/37/42/78/337374278.db2.gz JGRUUQVFXBXERT-UHFFFAOYSA-N -1 1 307.335 0.318 10 0 DCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1CCOC[C@H]1C ZINC000192573537 341875941 /nfs/dbraw/zinc/87/59/41/341875941.db2.gz PDDHDMRMNSKQGN-SKDRFNHKSA-N -1 1 318.377 0.928 10 0 DCAEMM COCC(COC)S(=O)(=O)[N-][C@@H]1CCCCC12OCCO2 ZINC000716018490 670226786 /nfs/dbraw/zinc/22/67/86/670226786.db2.gz XKGASNKFYJGGBX-GFCCVEGCSA-N -1 1 323.411 0.253 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(=O)[C@@H](C)C2)co1 ZINC000275225014 212207600 /nfs/dbraw/zinc/20/76/00/212207600.db2.gz IPXODAKJUJGFPC-QMMMGPOBSA-N -1 1 300.336 0.239 10 0 DCAEMM CCO[C@@H]1COC[C@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000569079005 291460446 /nfs/dbraw/zinc/46/04/46/291460446.db2.gz HCMUKTFNOPDYPA-VXGBXAGGSA-N -1 1 303.318 0.457 10 0 DCAEMM Cc1cc(CS(=O)(=O)[N-]C[C@](C)(O)C(F)(F)F)no1 ZINC000270554412 395782706 /nfs/dbraw/zinc/78/27/06/395782706.db2.gz NJZGLLDUJDQFPQ-QMMMGPOBSA-N -1 1 302.274 0.716 10 0 DCAEMM Cc1ccc2c([O-])c(C(=O)N3CCNC(=O)CC3)cnc2n1 ZINC000195324989 395824357 /nfs/dbraw/zinc/82/43/57/395824357.db2.gz SRIKACQEUOUPAV-UHFFFAOYSA-N -1 1 300.318 0.606 10 0 DCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCNC(=O)CC1)c2=O ZINC000195324989 395824360 /nfs/dbraw/zinc/82/43/60/395824360.db2.gz SRIKACQEUOUPAV-UHFFFAOYSA-N -1 1 300.318 0.606 10 0 DCAEMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1C(=O)NCC[C@H]1C ZINC000195476154 395828777 /nfs/dbraw/zinc/82/87/77/395828777.db2.gz BHBLWJYBQSXHQB-SVRRBLITSA-N -1 1 320.802 0.185 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CO)c1Cl ZINC000230149593 395878879 /nfs/dbraw/zinc/87/88/79/395878879.db2.gz PJFFVZUSZCYSAV-IUCAKERBSA-N -1 1 307.803 0.903 10 0 DCAEMM O=C(N[C@@H]1CCc2n[nH]cc2C1)c1nc2ccccc2c(=O)[n-]1 ZINC000151401655 395985044 /nfs/dbraw/zinc/98/50/44/395985044.db2.gz ZZRWZONUAFLJNC-SNVBAGLBSA-N -1 1 309.329 0.934 10 0 DCAEMM CCNC(=O)C[N-]S(=O)(=O)C([C@H]1CCCO1)C(F)(F)F ZINC000170603696 396095099 /nfs/dbraw/zinc/09/50/99/396095099.db2.gz CBUOLBVFAKSKEX-VXNVDRBHSA-N -1 1 318.317 0.152 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@H]23)c1Cl ZINC000190648855 396409666 /nfs/dbraw/zinc/40/96/66/396409666.db2.gz ZZOGXGKMVZRISH-IWSPIJDZSA-N -1 1 305.787 0.919 10 0 DCAEMM Cc1ccc2c([n-]cc(C(=O)N[C@@H](C)C(=O)N(C)C)c2=O)[nH+]1 ZINC000191805133 396425441 /nfs/dbraw/zinc/42/54/41/396425441.db2.gz WEORKROXZUWETQ-VIFPVBQESA-N -1 1 302.334 0.850 10 0 DCAEMM Cc1ccc2c([O-])c(C(=O)N[C@@H](C)C(=O)N(C)C)cnc2n1 ZINC000191805133 396425445 /nfs/dbraw/zinc/42/54/45/396425445.db2.gz WEORKROXZUWETQ-VIFPVBQESA-N -1 1 302.334 0.850 10 0 DCAEMM O=C(Nc1ccc(Cl)cc1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000563828652 396783765 /nfs/dbraw/zinc/78/37/65/396783765.db2.gz VFWHAQRSYJUKPH-UHFFFAOYSA-N -1 1 306.713 0.597 10 0 DCAEMM Cn1cc(C(=O)NC2(c3nn[n-]n3)CC2)c2ccccc2c1=O ZINC000563828651 396784078 /nfs/dbraw/zinc/78/40/78/396784078.db2.gz UYDKBWRWHCGXMP-UHFFFAOYSA-N -1 1 310.317 0.471 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCCOCC2CCC2)co1 ZINC000572691673 397084219 /nfs/dbraw/zinc/08/42/19/397084219.db2.gz GEORWHFSRYIAJU-UHFFFAOYSA-N -1 1 316.379 0.734 10 0 DCAEMM CC[C@H](NS(=O)(=O)C[C@@H]1CNCCO1)c1nccs1 ZINC000382380927 397273633 /nfs/dbraw/zinc/27/36/33/397273633.db2.gz RHDAGSGHICJSPJ-UWVGGRQHSA-N -1 1 305.425 0.502 10 0 DCAEMM Cc1ccc2c([O-])c(C(=O)N[C@H]3CCC(=O)N(C)C3)cnc2n1 ZINC000132336586 158309229 /nfs/dbraw/zinc/30/92/29/158309229.db2.gz OCULHUNTZWWKTQ-JTQLQIEISA-N -1 1 314.345 0.994 10 0 DCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H]1CCC(=O)N(C)C1)c2=O ZINC000132336586 158309230 /nfs/dbraw/zinc/30/92/30/158309230.db2.gz OCULHUNTZWWKTQ-JTQLQIEISA-N -1 1 314.345 0.994 10 0 DCAEMM Cc1nc2n(n1)C[C@@H](NC(=O)c1nc3ccccc3c(=O)[n-]1)CC2 ZINC000170720487 158376045 /nfs/dbraw/zinc/37/60/45/158376045.db2.gz BPRLXRVNVRXCGQ-JTQLQIEISA-N -1 1 324.344 0.568 10 0 DCAEMM C[C@@H](CS(C)(=O)=O)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000172133975 158391366 /nfs/dbraw/zinc/39/13/66/158391366.db2.gz ZCKNVORLBXGAOK-QMMMGPOBSA-N -1 1 309.347 0.086 10 0 DCAEMM CCN(C)C(=O)[C@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000191494445 158568289 /nfs/dbraw/zinc/56/82/89/158568289.db2.gz WFTJGAUZKOMXKH-VIFPVBQESA-N -1 1 302.334 0.520 10 0 DCAEMM C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(Cc1nc(=O)n(C)[n-]1)C2=O ZINC000329787422 159120175 /nfs/dbraw/zinc/12/01/75/159120175.db2.gz RDPXSNBJEQAORE-RKDXNWHRSA-N -1 1 307.354 0.560 10 0 DCAEMM O=C(C[C@H]1CCCCC(=O)N1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000408464822 160114172 /nfs/dbraw/zinc/11/41/72/160114172.db2.gz FWTMKALZNHHWEI-GHMZBOCLSA-N -1 1 322.365 0.930 10 0 DCAEMM CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000068371572 415394509 /nfs/dbraw/zinc/39/45/09/415394509.db2.gz CLHWYGDPHDZVLI-UWVGGRQHSA-N -1 1 316.361 0.956 10 0 DCAEMM C[C@@H](NC(=O)[C@H](C)S(=O)(=O)c1ncn[n-]1)c1ccccc1 ZINC000086169720 415509733 /nfs/dbraw/zinc/50/97/33/415509733.db2.gz ASKNRISATUIFGK-ZJUUUORDSA-N -1 1 308.363 0.844 10 0 DCAEMM C[C@@H](NC(=O)[C@H](C)S(=O)(=O)c1nc[n-]n1)c1ccccc1 ZINC000086169720 415509735 /nfs/dbraw/zinc/50/97/35/415509735.db2.gz ASKNRISATUIFGK-ZJUUUORDSA-N -1 1 308.363 0.844 10 0 DCAEMM Cc1ccc(S(C)(=O)=O)cc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000357048130 416024997 /nfs/dbraw/zinc/02/49/97/416024997.db2.gz MATPJZYKWYKXPW-UHFFFAOYSA-N -1 1 321.362 0.331 10 0 DCAEMM C[C@H]1Oc2ccccc2O[C@H]1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000357042112 416025076 /nfs/dbraw/zinc/02/50/76/416025076.db2.gz GBOSJPAGPUKAPD-LDYMZIIASA-N -1 1 301.306 0.534 10 0 DCAEMM CCOC(=O)c1ccc(C(=O)NC2(c3nn[n-]n3)CC2)nc1C ZINC000357052445 416027217 /nfs/dbraw/zinc/02/72/17/416027217.db2.gz JNIIHRFBNHJQPP-UHFFFAOYSA-N -1 1 316.321 0.499 10 0 DCAEMM CCn1cc(C(=O)C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cn1 ZINC000537123599 416552722 /nfs/dbraw/zinc/55/27/22/416552722.db2.gz YQNPKLSACJQKSE-VIFPVBQESA-N -1 1 303.326 0.005 10 0 DCAEMM CCOC(=O)[C@@H]1CN(C(=O)c2ncccc2[O-])CC12COC2 ZINC000452254080 417462115 /nfs/dbraw/zinc/46/21/15/417462115.db2.gz FNEWYZXBOWUEMC-JTQLQIEISA-N -1 1 306.318 0.439 10 0 DCAEMM COCCOCc1ccc(C(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000360729048 261867735 /nfs/dbraw/zinc/86/77/35/261867735.db2.gz MXZWGUXLPSSSAA-UHFFFAOYSA-N -1 1 317.349 0.782 10 0 DCAEMM C[C@@H](CS(C)(=O)=O)CS(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195168333 545934060 /nfs/dbraw/zinc/93/40/60/545934060.db2.gz WWWBIZIIKYYPQW-QMMMGPOBSA-N -1 1 323.440 0.557 10 0 DCAEMM O=S(=O)([N-][C@H]1CNOC1)c1sccc1Br ZINC000722486111 661271956 /nfs/dbraw/zinc/27/19/56/661271956.db2.gz LHTUKCQMAOWHME-YFKPBYRVSA-N -1 1 313.198 0.692 10 0 DCAEMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCC[C@H](CO)C2)c1Cl ZINC000311404165 659285820 /nfs/dbraw/zinc/28/58/20/659285820.db2.gz IIPDEXNCGRHIIH-IUCAKERBSA-N -1 1 307.803 0.903 10 0 DCAEMM CCn1nc(C)c(CC(=O)N2CCC[C@@H]2c2nn[n-]n2)c1C ZINC000900397432 663240889 /nfs/dbraw/zinc/24/08/89/663240889.db2.gz VKLZYEVKODHJOP-GFCCVEGCSA-N -1 1 303.370 0.939 10 0 DCAEMM CC(C)(CNS(C)(=O)=O)NC(=O)c1ccc([O-])cc1F ZINC000708273285 667442500 /nfs/dbraw/zinc/44/25/00/667442500.db2.gz BVTNWGHAGFHGRQ-UHFFFAOYSA-N -1 1 304.343 0.589 10 0 DCAEMM CC(C)N1CC[C@H]([N-]S(=O)(=O)c2cccnc2F)C1=O ZINC000709094837 667443925 /nfs/dbraw/zinc/44/39/25/667443925.db2.gz WLZQNWKKJHDYIT-VIFPVBQESA-N -1 1 301.343 0.508 10 0 DCAEMM CN1CC=C(CNS(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000694148687 976669156 /nfs/dbraw/zinc/66/91/56/976669156.db2.gz NYWIDXVCQMYDJI-UHFFFAOYSA-N -1 1 300.336 0.518 10 0 DCAEMM C[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)CCN1CCO ZINC000187128026 237338447 /nfs/dbraw/zinc/33/84/47/237338447.db2.gz ZNHHXDROALOQSU-NSHDSACASA-N -1 1 316.361 0.062 10 0 DCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H]1O ZINC000089169496 395708746 /nfs/dbraw/zinc/70/87/46/395708746.db2.gz UJQNCFJYMITNIK-SCZZXKLOSA-N -1 1 317.367 0.026 10 0 DCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000104035736 395776910 /nfs/dbraw/zinc/77/69/10/395776910.db2.gz IJIDFCTUHZTURB-MFKMUULPSA-N -1 1 318.377 0.866 10 0 DCAEMM Cn1c2nc(-c3nnc(C(F)(F)F)o3)[n-]c2c(=O)n(C)c1=O ZINC000048554407 395817396 /nfs/dbraw/zinc/81/73/96/395817396.db2.gz CZGWTAZHAHTCTE-UHFFFAOYSA-N -1 1 316.199 0.029 10 0 DCAEMM Cn1c2nc(-c3nnc(C(F)(F)F)o3)nc-2c([O-])n(C)c1=O ZINC000048554407 395817398 /nfs/dbraw/zinc/81/73/98/395817398.db2.gz CZGWTAZHAHTCTE-UHFFFAOYSA-N -1 1 316.199 0.029 10 0 DCAEMM Cn1c2[n-]c(-c3nnc(C(F)(F)F)o3)nc2c(=O)n(C)c1=O ZINC000048554407 395817399 /nfs/dbraw/zinc/81/73/99/395817399.db2.gz CZGWTAZHAHTCTE-UHFFFAOYSA-N -1 1 316.199 0.029 10 0 DCAEMM COCCN1CCN(Cc2cc(=O)n3[n-]ccc3n2)C[C@@H]1C ZINC000108867412 395794140 /nfs/dbraw/zinc/79/41/40/395794140.db2.gz APNFPECVDPOQGE-LBPRGKRZSA-N -1 1 305.382 0.175 10 0 DCAEMM C[C@@H](O)CN1CCN(CC(=O)[N-]OCc2ccccc2)C[C@@H]1C ZINC000119397460 395870571 /nfs/dbraw/zinc/87/05/71/395870571.db2.gz DQGMOQLOCNGLLU-LSDHHAIUSA-N -1 1 321.421 0.621 10 0 DCAEMM CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nnn[n-]1 ZINC000135467223 395940308 /nfs/dbraw/zinc/94/03/08/395940308.db2.gz ZBTSOSWOIOTNJA-MWLCHTKSSA-N -1 1 302.338 0.983 10 0 DCAEMM CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nn[n-]n1 ZINC000135467223 395940311 /nfs/dbraw/zinc/94/03/11/395940311.db2.gz ZBTSOSWOIOTNJA-MWLCHTKSSA-N -1 1 302.338 0.983 10 0 DCAEMM CN(CCN1CCOCC1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000170716705 396097151 /nfs/dbraw/zinc/09/71/51/396097151.db2.gz NUBXHLQVKCKISR-UHFFFAOYSA-N -1 1 316.361 0.327 10 0 DCAEMM O=C(NC[C@@]1(O)CCSC1)c1nc2ccccc2c(=O)[n-]1 ZINC000177057869 396165525 /nfs/dbraw/zinc/16/55/25/396165525.db2.gz YGUKFFIYNWMZEY-AWEZNQCLSA-N -1 1 305.359 0.521 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](CO)CC(C)C)co1 ZINC000184553575 396298251 /nfs/dbraw/zinc/29/82/51/396298251.db2.gz QTZNJPKGANLGPW-NSHDSACASA-N -1 1 318.395 0.667 10 0 DCAEMM O=c1[nH]c(N2CCN(c3nccs3)CC2)nc2[nH]ncc21 ZINC000302355349 396719592 /nfs/dbraw/zinc/71/95/92/396719592.db2.gz ZAHLJBTYUDPSAE-UHFFFAOYSA-N -1 1 303.351 0.842 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC([C@@H](C)O)CC2)co1 ZINC000407998950 160006749 /nfs/dbraw/zinc/00/67/49/160006749.db2.gz UADOXIPHLIHOOD-SECBINFHSA-N -1 1 316.379 0.421 10 0 DCAEMM CCC(=O)N1CC[C@@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000128071873 286981220 /nfs/dbraw/zinc/98/12/20/286981220.db2.gz JBKMTBYIAIDNIQ-SNVBAGLBSA-N -1 1 314.345 0.664 10 0 DCAEMM COCCn1ccnc1C[N@H+]1CCc2nc(C)[nH]c(=O)c2CC1 ZINC000067894758 415388775 /nfs/dbraw/zinc/38/87/75/415388775.db2.gz IPGQECJCLCXKNS-UHFFFAOYSA-N -1 1 317.393 0.522 10 0 DCAEMM Cn1ncc2c1[n-]cc(C(=O)N1CCOC[C@H]1C1CC1)c2=O ZINC000119449175 415745793 /nfs/dbraw/zinc/74/57/93/415745793.db2.gz UHNZBEGXJQICOH-LBPRGKRZSA-N -1 1 302.334 0.925 10 0 DCAEMM COc1ccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c(C)c1 ZINC000439154288 416609128 /nfs/dbraw/zinc/60/91/28/416609128.db2.gz RSYBGSJTROPGCR-UHFFFAOYSA-N -1 1 310.335 0.778 10 0 DCAEMM COc1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c(C)c1 ZINC000439154288 416609130 /nfs/dbraw/zinc/60/91/30/416609130.db2.gz RSYBGSJTROPGCR-UHFFFAOYSA-N -1 1 310.335 0.778 10 0 DCAEMM COc1ccc2c(c1)[n-]cc(C(=O)N[C@H]1CNC(=O)C1)c2=O ZINC000450455412 287451336 /nfs/dbraw/zinc/45/13/36/287451336.db2.gz UXAAPBAHRLPULK-MRVPVSSYSA-N -1 1 301.302 0.155 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)[C@H](CO)c1ccc(Cl)cc1 ZINC000552492598 288276388 /nfs/dbraw/zinc/27/63/88/288276388.db2.gz RQKFIJLNRCQMGU-SNVBAGLBSA-N -1 1 307.741 0.735 10 0 DCAEMM NS(=O)(=O)c1cccc(-c2cccc(F)n2)c1-c1nnn[n-]1 ZINC000584596521 337374207 /nfs/dbraw/zinc/37/42/07/337374207.db2.gz JCGDMKSFDTYZNJ-UHFFFAOYSA-N -1 1 320.309 0.715 10 0 DCAEMM NS(=O)(=O)c1cccc(-c2cccc(F)n2)c1-c1nn[n-]n1 ZINC000584596521 337374208 /nfs/dbraw/zinc/37/42/08/337374208.db2.gz JCGDMKSFDTYZNJ-UHFFFAOYSA-N -1 1 320.309 0.715 10 0 DCAEMM NC(=O)NCCNC(=O)c1cc(Br)ccc1[O-] ZINC000227636525 664536815 /nfs/dbraw/zinc/53/68/15/664536815.db2.gz SJKBDOMBBUINCI-UHFFFAOYSA-N -1 1 302.128 0.553 10 0 DCAEMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H](N(C)C)C1 ZINC000062966817 664625101 /nfs/dbraw/zinc/62/51/01/664625101.db2.gz VJPOKHVLHVEVQQ-SECBINFHSA-N -1 1 302.352 0.611 10 0 DCAEMM CO[C@@](C)(CO)C[N-]S(=O)(=O)c1ccc(Cl)nc1F ZINC000702554639 666969025 /nfs/dbraw/zinc/96/90/25/666969025.db2.gz BTZGVIFRHVONQF-SNVBAGLBSA-N -1 1 312.750 0.550 10 0 DCAEMM Cc1ccncc1CN1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC000886071726 667728737 /nfs/dbraw/zinc/72/87/37/667728737.db2.gz AXJHKZBGACDCNO-MRXNPFEDSA-N -1 1 305.378 0.751 10 0 DCAEMM O=C(NCCCN1CCCC1=O)c1nc2ccccc2c(=O)[n-]1 ZINC000012323046 395687496 /nfs/dbraw/zinc/68/74/96/395687496.db2.gz QEACCBBBORIOGL-UHFFFAOYSA-N -1 1 314.345 0.665 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)[C@@H](O)C2)co1 ZINC000089415582 395711309 /nfs/dbraw/zinc/71/13/09/395711309.db2.gz JHDUZZKISZEMLF-SCZZXKLOSA-N -1 1 302.352 0.031 10 0 DCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)[C@@H](O)C2)o1 ZINC000089427134 395711793 /nfs/dbraw/zinc/71/17/93/395711793.db2.gz PVHRIYJOYLVARD-BDAKNGLRSA-N -1 1 302.352 0.031 10 0 DCAEMM COC(=O)c1c(=O)n([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] ZINC000225415765 395859830 /nfs/dbraw/zinc/85/98/30/395859830.db2.gz JPDLMZCPKYAXFB-UHFFFAOYSA-N -1 1 306.081 0.857 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)co1 ZINC000178886763 396212978 /nfs/dbraw/zinc/21/29/78/396212978.db2.gz UIUQMNIKNGEBEB-LLVKDONJSA-N -1 1 313.379 0.108 10 0 DCAEMM O=C(c1cc(F)cc2nn[nH]c21)N1CC[C@]2(CNC(=O)C2)C1 ZINC000281930451 396249655 /nfs/dbraw/zinc/24/96/55/396249655.db2.gz BDGQWLNTWRXNEU-AWEZNQCLSA-N -1 1 303.297 0.449 10 0 DCAEMM C[C@H](CN(C)C(=O)Cn1c2ccccc2[nH]c1=O)c1nn[n-]n1 ZINC000183395754 396269356 /nfs/dbraw/zinc/26/93/56/396269356.db2.gz WXDFRULLLARMJL-SECBINFHSA-N -1 1 315.337 0.105 10 0 DCAEMM CC1(C)CN(C(=O)C(=O)c2ccc([O-])cc2)CCS1(=O)=O ZINC000280920209 396229728 /nfs/dbraw/zinc/22/97/28/396229728.db2.gz GGKUFHVASLYEBJ-UHFFFAOYSA-N -1 1 311.359 0.611 10 0 DCAEMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CC(F)(F)C[C@@H]1CO ZINC000364657277 397231186 /nfs/dbraw/zinc/23/11/86/397231186.db2.gz MAPPQPRAQVXRDL-MRVPVSSYSA-N -1 1 309.272 0.765 10 0 DCAEMM Cc1nnc(C[N-]S(=O)(=O)c2cnc(C)c(C#N)c2)s1 ZINC000392177542 397305901 /nfs/dbraw/zinc/30/59/01/397305901.db2.gz VWZCSEVLZYVFQD-UHFFFAOYSA-N -1 1 309.376 0.900 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)co1 ZINC000408185938 160054889 /nfs/dbraw/zinc/05/48/89/160054889.db2.gz FQZMTRWNXLGGGA-INTQDDNPSA-N -1 1 314.363 0.031 10 0 DCAEMM Cc1ccc2c([O-])c(C(=O)N3CCO[C@H](CO)C3)cnc2n1 ZINC000408371609 160093936 /nfs/dbraw/zinc/09/39/36/160093936.db2.gz ZOOHIHCHZVTYIG-JTQLQIEISA-N -1 1 303.318 0.477 10 0 DCAEMM Cc1ccc2c(=O)c(C(=O)N3CCO[C@H](CO)C3)c[n-]c2n1 ZINC000408371609 160093937 /nfs/dbraw/zinc/09/39/37/160093937.db2.gz ZOOHIHCHZVTYIG-JTQLQIEISA-N -1 1 303.318 0.477 10 0 DCAEMM Cc1noc([C@H]2C[C@H](O)CN2C(=O)c2ncc(C)cc2[O-])n1 ZINC000408386527 160097707 /nfs/dbraw/zinc/09/77/07/160097707.db2.gz QCULJBUKADZUCT-VHSXEESVSA-N -1 1 304.306 0.735 10 0 DCAEMM O=C(NCCNC(=O)C1CC1)c1nc2ccccc2c(=O)[n-]1 ZINC000079095096 415470645 /nfs/dbraw/zinc/47/06/45/415470645.db2.gz YOSZGPIILMKXGX-UHFFFAOYSA-N -1 1 300.318 0.179 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCCC[C@H]2O)co1 ZINC000153110157 415975235 /nfs/dbraw/zinc/97/52/35/415975235.db2.gz DMSWLQZYXSWRGW-MWLCHTKSSA-N -1 1 316.379 0.469 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)C(=O)c1cnn(-c2ccccc2)c1 ZINC000357062083 416028407 /nfs/dbraw/zinc/02/84/07/416028407.db2.gz WXSKXAHROKABTD-UHFFFAOYSA-N -1 1 323.316 0.374 10 0 DCAEMM O=C(N[C@@H]1CCCn2ncnc21)c1nc2ccccc2c(=O)[n-]1 ZINC000176835287 416136023 /nfs/dbraw/zinc/13/60/23/416136023.db2.gz STDOZNYWGHSDLJ-LLVKDONJSA-N -1 1 310.317 0.780 10 0 DCAEMM C[C@H]1C(=O)N(C)CCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000187082520 416258313 /nfs/dbraw/zinc/25/83/13/416258313.db2.gz LUHWIYPEMAJBFG-VIFPVBQESA-N -1 1 300.318 0.226 10 0 DCAEMM CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)NC)o2)C1 ZINC000194658185 416324537 /nfs/dbraw/zinc/32/45/37/416324537.db2.gz RMOFSCMOYDXMAC-SNVBAGLBSA-N -1 1 315.395 0.402 10 0 DCAEMM Cc1ccc2c([O-])c(C(=O)N[C@H]3CCc4ncnn4C3)cnc2n1 ZINC000112725433 281049198 /nfs/dbraw/zinc/04/91/98/281049198.db2.gz VQIZBVRBFNEBSB-JTQLQIEISA-N -1 1 324.344 0.980 10 0 DCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H]1CCc3ncnn3C1)c2=O ZINC000112725433 281049202 /nfs/dbraw/zinc/04/92/02/281049202.db2.gz VQIZBVRBFNEBSB-JTQLQIEISA-N -1 1 324.344 0.980 10 0 DCAEMM Cc1cnc(-c2cccc(S(N)(=O)=O)c2-c2nnn[n-]2)cn1 ZINC000584596988 337374329 /nfs/dbraw/zinc/37/43/29/337374329.db2.gz RWSYREXACTWOFP-UHFFFAOYSA-N -1 1 317.334 0.280 10 0 DCAEMM Cc1cnc(-c2cccc(S(N)(=O)=O)c2-c2nn[n-]n2)cn1 ZINC000584596988 337374330 /nfs/dbraw/zinc/37/43/30/337374330.db2.gz RWSYREXACTWOFP-UHFFFAOYSA-N -1 1 317.334 0.280 10 0 DCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000154838222 527116436 /nfs/dbraw/zinc/11/64/36/527116436.db2.gz ADKXZVNCZOTKDY-PELKAZGASA-N -1 1 304.350 0.823 10 0 DCAEMM Cc1cnc(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)c([O-])c1 ZINC000888093609 661159006 /nfs/dbraw/zinc/15/90/06/661159006.db2.gz KLQNQDVFBPSCIU-WCQYABFASA-N -1 1 318.333 0.405 10 0 DCAEMM C[C@@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1cc(=O)[nH][n-]1 ZINC000898868902 663111244 /nfs/dbraw/zinc/11/12/44/663111244.db2.gz XZJHPPDYCHGBOU-KOLCDFICSA-N -1 1 306.366 0.941 10 0 DCAEMM Cc1cc(CS(=O)(=O)[N-][C@H]2CCCC23OCCO3)no1 ZINC000715932750 670226311 /nfs/dbraw/zinc/22/63/11/670226311.db2.gz OYRINJDFLPBSQY-NSHDSACASA-N -1 1 302.352 0.698 10 0 DCAEMM C[C@H](C(=O)[O-])N(C)C(=O)N[C@@H]1CCCN2CCSC[C@@H]12 ZINC000720482229 685313842 /nfs/dbraw/zinc/31/38/42/685313842.db2.gz KAOVKXMMABNUDW-MXWKQRLJSA-N -1 1 301.412 0.681 10 0 DCAEMM Cc1ccc2[nH]cc(CCC(=O)NN3CC(=O)[N-]C3=O)c2c1 ZINC000074823633 685076309 /nfs/dbraw/zinc/07/63/09/685076309.db2.gz XNERDVTVPJKMQM-UHFFFAOYSA-N -1 1 300.318 0.992 10 0 DCAEMM CCOC(=O)CNC(=O)CSc1nc(C)c(CC)c(=O)[n-]1 ZINC000005021649 181191786 /nfs/dbraw/zinc/19/17/86/181191786.db2.gz ZRZPFSGRQLGKKG-UHFFFAOYSA-N -1 1 313.379 0.412 10 0 DCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@H](O)C2)co1 ZINC000089415589 395711329 /nfs/dbraw/zinc/71/13/29/395711329.db2.gz JHDUZZKISZEMLF-WCBMZHEXSA-N -1 1 302.352 0.031 10 0 DCAEMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1C(=O)NCC[C@H]1C ZINC000195476151 395828708 /nfs/dbraw/zinc/82/87/08/395828708.db2.gz BHBLWJYBQSXHQB-HTRCEHHLSA-N -1 1 320.802 0.185 10 0 DCAEMM CCNC(=O)C[N-]S(=O)(=O)C([C@H]1CCCO1)C(F)(F)F ZINC000170603695 396095444 /nfs/dbraw/zinc/09/54/44/396095444.db2.gz CBUOLBVFAKSKEX-APPZFPTMSA-N -1 1 318.317 0.152 10 0 DCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1CCCOC1 ZINC000171567216 396118478 /nfs/dbraw/zinc/11/84/78/396118478.db2.gz YEMUFYDTUSVKQZ-LLVKDONJSA-N -1 1 304.350 0.477 10 0 DCAEMM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000280764637 396219927 /nfs/dbraw/zinc/21/99/27/396219927.db2.gz LVAPSZKTEXEVMF-SSDOTTSWSA-N -1 1 320.317 0.434 10 0 DCAEMM Cc1nc(C[N-]S(=O)(=O)c2cnn(CC(F)F)c2)no1 ZINC000187185462 396364986 /nfs/dbraw/zinc/36/49/86/396364986.db2.gz DNGCWLATXBGIOM-UHFFFAOYSA-N -1 1 307.282 0.318 10 0 DCAEMM COC(=O)COc1ccc(C(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000573774233 397203568 /nfs/dbraw/zinc/20/35/68/397203568.db2.gz SGYVUTVNDCYZPJ-UHFFFAOYSA-N -1 1 317.305 0.171 10 0 DCAEMM O=C(Cc1coc(-c2ccc(F)cc2)n1)NN1CC(=O)[N-]C1=O ZINC000113413635 158148013 /nfs/dbraw/zinc/14/80/13/158148013.db2.gz DRQCYGFHEXBKAT-UHFFFAOYSA-N -1 1 318.264 0.606 10 0 DCAEMM O=C(c1c([O-])cnc2ccccc21)N1CCN2C(=O)NC[C@H]2C1 ZINC000136995370 158343689 /nfs/dbraw/zinc/34/36/89/158343689.db2.gz IWNLBKXFARIZOQ-JTQLQIEISA-N -1 1 312.329 0.790 10 0 DCAEMM O=C(C[C@H]1CCCCNC1=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000408066659 160027119 /nfs/dbraw/zinc/02/71/19/160027119.db2.gz AWRYUQIBKRGCOW-MNOVXSKESA-N -1 1 322.365 0.788 10 0 DCAEMM O=C(C[C@@H]1CCCCC(=O)N1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000408464824 160114779 /nfs/dbraw/zinc/11/47/79/160114779.db2.gz FWTMKALZNHHWEI-MNOVXSKESA-N -1 1 322.365 0.930 10 0 DCAEMM C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)S(=O)(=O)c1ncn[n-]1 ZINC000246048213 287075610 /nfs/dbraw/zinc/07/56/10/287075610.db2.gz ALXUWTQCIDKUFK-AEJSXWLSSA-N -1 1 300.384 0.471 10 0 DCAEMM C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)S(=O)(=O)c1nc[n-]n1 ZINC000246048213 287075612 /nfs/dbraw/zinc/07/56/12/287075612.db2.gz ALXUWTQCIDKUFK-AEJSXWLSSA-N -1 1 300.384 0.471 10 0 DCAEMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCN2CCC[C@@H]2C1 ZINC000055312012 415331643 /nfs/dbraw/zinc/33/16/43/415331643.db2.gz LCNBJTJGPMACPX-SNVBAGLBSA-N -1 1 314.363 0.755 10 0 DCAEMM CC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2nc(C)c(C)s2)C1 ZINC000333213969 415584410 /nfs/dbraw/zinc/58/44/10/415584410.db2.gz CBTLLRDSDDTMFC-SNVBAGLBSA-N -1 1 303.409 0.659 10 0 DCAEMM O=C(NC1(c2nn[n-]n2)CC1)c1ccn(Cc2ccccc2)n1 ZINC000357064501 416028846 /nfs/dbraw/zinc/02/88/46/416028846.db2.gz CCDCCYNFSQKJME-UHFFFAOYSA-N -1 1 309.333 0.864 10 0 DCAEMM CC(=O)Nc1ccc(C)c(C(=O)NC2(c3nn[n-]n3)CC2)c1 ZINC000357075698 416031033 /nfs/dbraw/zinc/03/10/33/416031033.db2.gz PYHMLQXXOXTVCR-UHFFFAOYSA-N -1 1 300.322 0.886 10 0 DCAEMM CNS(=O)(=O)c1cccc(C(=O)Nc2ccncc2[O-])c1 ZINC000358340897 416225561 /nfs/dbraw/zinc/22/55/61/416225561.db2.gz QMXOCRZBFCDYGL-UHFFFAOYSA-N -1 1 307.331 0.370 10 0 DCAEMM Cn1nc2ccccc2c1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000361480913 416439621 /nfs/dbraw/zinc/43/96/21/416439621.db2.gz HSKQREGAPBTXIJ-UHFFFAOYSA-N -1 1 320.334 0.347 10 0 DCAEMM Cn1nc2ccccc2c1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000361480913 416439624 /nfs/dbraw/zinc/43/96/24/416439624.db2.gz HSKQREGAPBTXIJ-UHFFFAOYSA-N -1 1 320.334 0.347 10 0 DCAEMM C/C=C\C[C@H]([N-]S(=O)(=O)C[C@H](C)C(=O)OC)C(=O)OCC ZINC000440089165 416625083 /nfs/dbraw/zinc/62/50/83/416625083.db2.gz CUBXBYOEBDLEAB-MGVUPCTHSA-N -1 1 321.395 0.613 10 0 DCAEMM O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1ncccc1[O-] ZINC000370057616 416875798 /nfs/dbraw/zinc/87/57/98/416875798.db2.gz YODBYUIQNPSXDA-LLVKDONJSA-N -1 1 305.334 0.297 10 0 DCAEMM COCC[C@@H](COC)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000311833514 659374874 /nfs/dbraw/zinc/37/48/74/659374874.db2.gz PKUKFUBZOKYAJG-QMMMGPOBSA-N -1 1 311.791 0.403 10 0 DCAEMM C[C@@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1F ZINC000703178615 667064885 /nfs/dbraw/zinc/06/48/85/667064885.db2.gz KLUMZTSDPLAFSN-NKWVEPMBSA-N -1 1 321.761 0.820 10 0 DCAEMM CC(C)c1cc(N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)ncn1 ZINC000886095359 667731477 /nfs/dbraw/zinc/73/14/77/667731477.db2.gz TUKUPIFQWPZLBK-INIZCTEOSA-N -1 1 320.393 0.966 10 0 DCAEMM