smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)c1cnc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc1C ZINC000012372538 539557543 /nfs/dbraw/zinc/55/75/43/539557543.db2.gz OVAFODBNZFDCRP-UHFFFAOYSA-N 1 2 354.410 2.039 50 0 FEAALO O=C(c1cnccn1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000012393164 539558117 /nfs/dbraw/zinc/55/81/17/539558117.db2.gz MNBHWOMDVXYMQH-UHFFFAOYSA-N 1 2 350.344 2.453 50 0 FEAALO O=C(NCc1cn2ccccc2[nH+]1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000012506813 539561945 /nfs/dbraw/zinc/56/19/45/539561945.db2.gz NIBRCGUBCVUGKN-AWEZNQCLSA-N 1 2 354.435 2.317 50 0 FEAALO Cc1cccc(N2CC[NH+](CC(=O)N3CC(=O)Nc4ccccc43)CC2)c1 ZINC000012543173 539564005 /nfs/dbraw/zinc/56/40/05/539564005.db2.gz VBHIHUXTTXJADQ-UHFFFAOYSA-N 1 2 364.449 2.102 50 0 FEAALO C[N@H+](CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)Cc1ccccc1Cl ZINC000012863920 539576519 /nfs/dbraw/zinc/57/65/19/539576519.db2.gz QWAHMWTVBDCOQS-QGZVFWFLSA-N 1 2 373.840 2.051 50 0 FEAALO C[N@@H+](CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)Cc1ccccc1Cl ZINC000012863920 539576523 /nfs/dbraw/zinc/57/65/23/539576523.db2.gz QWAHMWTVBDCOQS-QGZVFWFLSA-N 1 2 373.840 2.051 50 0 FEAALO c1cc2c(s1)CCN(c1ccc(Nc3ccc4nnnn4n3)c[nH+]1)C2 ZINC000012982053 539581521 /nfs/dbraw/zinc/58/15/21/539581521.db2.gz QVBYNAOUMWSWFI-UHFFFAOYSA-N 1 2 350.411 2.282 50 0 FEAALO COC(=O)c1ccccc1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000013324753 539586131 /nfs/dbraw/zinc/58/61/31/539586131.db2.gz ZBAZUIPKDBFCIN-UHFFFAOYSA-N 1 2 354.410 2.218 50 0 FEAALO CCOC(=O)C1CC[NH+](CN2C(=O)[C@@H](C)N(c3ccccc3)C2=O)CC1 ZINC000014142015 539596777 /nfs/dbraw/zinc/59/67/77/539596777.db2.gz YULHIRARAKFBTN-CQSZACIVSA-N 1 2 359.426 2.076 50 0 FEAALO O=C(C[NH+]1CCN(C(=O)Cc2ccc3ccccc3c2)CC1)N1CCCC1 ZINC000014182751 539597854 /nfs/dbraw/zinc/59/78/54/539597854.db2.gz YQWDLOGSMHISIT-UHFFFAOYSA-N 1 2 365.477 2.149 50 0 FEAALO Cc1[nH+]c2ccccc2n1Cc1cc(C(=O)NCc2cnc(C)cn2)[nH]n1 ZINC000015072653 539611608 /nfs/dbraw/zinc/61/16/08/539611608.db2.gz IROZUAJDETVSNL-UHFFFAOYSA-N 1 2 361.409 2.145 50 0 FEAALO CC(C)(C)S(=O)(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000016844631 539637616 /nfs/dbraw/zinc/63/76/16/539637616.db2.gz GYKACCZSDBBRAA-UHFFFAOYSA-N 1 2 374.510 2.371 50 0 FEAALO COc1cccc(-c2noc(N3CCN(c4cccc[nH+]4)CC3)n2)c1OC ZINC000021630806 539686043 /nfs/dbraw/zinc/68/60/43/539686043.db2.gz CVIPBCFGAWUYCJ-UHFFFAOYSA-N 1 2 367.409 2.475 50 0 FEAALO Cc1cc(C)n(CCC(=O)N2CC[NH+](Cc3noc4ccccc43)CC2)n1 ZINC000021664386 539686381 /nfs/dbraw/zinc/68/63/81/539686381.db2.gz AWJIATBVYZSHHS-UHFFFAOYSA-N 1 2 367.453 2.376 50 0 FEAALO Cn1ncc2c1nc[nH+]c2NCCNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000024211200 539728323 /nfs/dbraw/zinc/72/83/23/539728323.db2.gz HYUVTPCNNWLWKV-UHFFFAOYSA-N 1 2 364.331 2.224 50 0 FEAALO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000024165559 539726708 /nfs/dbraw/zinc/72/67/08/539726708.db2.gz DSBAUIZWBQGZFC-AWEZNQCLSA-N 1 2 370.428 2.074 50 0 FEAALO C[NH+](C)[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccsc1 ZINC000025329716 539755783 /nfs/dbraw/zinc/75/57/83/539755783.db2.gz VRETXSKIEVXHMY-HNNXBMFYSA-N 1 2 352.481 2.184 50 0 FEAALO CC(C)C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC000026233651 539781196 /nfs/dbraw/zinc/78/11/96/539781196.db2.gz AHQRCMJGYIJJDK-OAHLLOKOSA-N 1 2 360.907 2.365 50 0 FEAALO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C)CC1 ZINC000026981103 539799136 /nfs/dbraw/zinc/79/91/36/539799136.db2.gz HXTMJCTWIQMHHX-GFCCVEGCSA-N 1 2 365.528 2.188 50 0 FEAALO C[C@@H]1c2[nH+]c(N)nc(N)c2CN1C(=O)COc1ccc(Cl)cc1Cl ZINC000032236738 539931716 /nfs/dbraw/zinc/93/17/16/539931716.db2.gz SUEPAFUFSDNKTL-SSDOTTSWSA-N 1 2 368.224 2.430 50 0 FEAALO CC[NH+]1CCN(S(=O)(=O)c2cc(C)c(Br)cc2C)CC1 ZINC000032602267 539944542 /nfs/dbraw/zinc/94/45/42/539944542.db2.gz PGRRXZMQAWCVPH-UHFFFAOYSA-N 1 2 361.305 2.392 50 0 FEAALO O=C(CCNC(=O)NC1CCCCC1)NCCc1cn2ccccc2[nH+]1 ZINC000032614132 539945139 /nfs/dbraw/zinc/94/51/39/539945139.db2.gz LHWMGBOAVFXZRE-UHFFFAOYSA-N 1 2 357.458 2.015 50 0 FEAALO CSCC[C@H]1NC(=S)N(Cc2cc[nH+]c(N3CCCC3)c2)C1=O ZINC000032778518 539952533 /nfs/dbraw/zinc/95/25/33/539952533.db2.gz WIXZYLFXIMXUIQ-CYBMUJFWSA-N 1 2 350.513 2.020 50 0 FEAALO Cc1ccc2[nH+]c(COC(=O)CCn3ncc(=O)c4ccccc43)cn2c1 ZINC000032836005 539955379 /nfs/dbraw/zinc/95/53/79/539955379.db2.gz GTBQNCMHQBNJKD-UHFFFAOYSA-N 1 2 362.389 2.486 50 0 FEAALO CCc1noc([C@H](C)[NH+]2CCC(NS(=O)(=O)c3ccccc3)CC2)n1 ZINC000032760209 539951035 /nfs/dbraw/zinc/95/10/35/539951035.db2.gz YKHOPCSBYDKXTN-ZDUSSCGKSA-N 1 2 364.471 2.136 50 0 FEAALO CCc1ccc(CN(C)c2nc(N(C)C)[nH+]c3c2CCN(C(C)=O)C3)nc1 ZINC000071681379 541768747 /nfs/dbraw/zinc/76/87/47/541768747.db2.gz YBJNYGSEBIXXCS-UHFFFAOYSA-N 1 2 368.485 2.041 50 0 FEAALO NC(=O)c1cc2c([nH+]c1N1CCC[C@@]3(C1)c1ccccc1NC3=O)CCC2 ZINC000072143288 541787275 /nfs/dbraw/zinc/78/72/75/541787275.db2.gz CRGYZXIEIWWFFS-OAQYLSRUSA-N 1 2 362.433 2.160 50 0 FEAALO Cc1cccc2[nH]c([C@H]3CCCN(C(=O)c4cn5c(n4)C[NH2+]CC5)C3)nc21 ZINC000072157269 541791396 /nfs/dbraw/zinc/79/13/96/541791396.db2.gz JMPQCCYBKZEJDH-AWEZNQCLSA-N 1 2 364.453 2.191 50 0 FEAALO Cc1cccc2nc([C@H]3CCCN(C(=O)c4cn5c(n4)C[NH2+]CC5)C3)[nH]c21 ZINC000072157269 541791399 /nfs/dbraw/zinc/79/13/99/541791399.db2.gz JMPQCCYBKZEJDH-AWEZNQCLSA-N 1 2 364.453 2.191 50 0 FEAALO CC(=O)Nc1ccc(CN2CCc3[nH+]c[nH]c3[C@@H]2c2nccn2C)cc1 ZINC000072156107 541791506 /nfs/dbraw/zinc/79/15/06/541791506.db2.gz HTVWAOTXXJALAD-GOSISDBHSA-N 1 2 350.426 2.249 50 0 FEAALO COC(=O)c1cc2c(ccn(Cc3ccco3)c2=O)nc1/C=C/[NH+](C)C ZINC000072406637 541805439 /nfs/dbraw/zinc/80/54/39/541805439.db2.gz NACZFMURHPCIGV-SOFGYWHQSA-N 1 2 353.378 2.357 50 0 FEAALO Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(C(=O)NCc2cccs2)C1 ZINC000072407669 541805614 /nfs/dbraw/zinc/80/56/14/541805614.db2.gz MWSDDSXOTVJDNL-CYBMUJFWSA-N 1 2 362.503 2.027 50 0 FEAALO Cc1nn(C)c2nc[nH+]c(NCCc3nc(=O)c4c(C)c(C)sc4[nH]3)c12 ZINC000072411828 541807214 /nfs/dbraw/zinc/80/72/14/541807214.db2.gz FSQAVEJQINUGTD-UHFFFAOYSA-N 1 2 369.454 2.241 50 0 FEAALO Cc1ccc(N2CCc3[nH+]c(C)nc(N[C@H]4CCSC4)c3CC2)nn1 ZINC000072467935 541817818 /nfs/dbraw/zinc/81/78/18/541817818.db2.gz QHOVIJFASYNVQG-AWEZNQCLSA-N 1 2 356.499 2.406 50 0 FEAALO Cc1cccc(C(=O)N2CCC[C@@H](c3nnc(C[NH+]4CCCC4)n3C)C2)n1 ZINC000072447995 541815973 /nfs/dbraw/zinc/81/59/73/541815973.db2.gz CNHOETIAGXHENH-MRXNPFEDSA-N 1 2 368.485 2.134 50 0 FEAALO Cn1ccnc1C[NH+]1CCC2(CN(CCOc3ccccc3)C(=O)O2)CC1 ZINC000072479392 541821282 /nfs/dbraw/zinc/82/12/82/541821282.db2.gz KWAJBCMQNHSCFL-UHFFFAOYSA-N 1 2 370.453 2.286 50 0 FEAALO Clc1ccc2[nH+]c(CSc3nnnn3C[C@@H]3CCCO3)cn2c1 ZINC000007119111 204289431 /nfs/dbraw/zinc/28/94/31/204289431.db2.gz JXCHHBFBHZPZKT-LBPRGKRZSA-N 1 2 350.835 2.446 50 0 FEAALO NC(=O)c1ccc(NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000007927255 204311433 /nfs/dbraw/zinc/31/14/33/204311433.db2.gz CJJCIPNGWUBFDB-INIZCTEOSA-N 1 2 373.478 2.467 50 0 FEAALO NC(=O)c1ccc(NC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000007927255 204311434 /nfs/dbraw/zinc/31/14/34/204311434.db2.gz CJJCIPNGWUBFDB-INIZCTEOSA-N 1 2 373.478 2.467 50 0 FEAALO COc1cccc([C@H](NS(=O)(=O)c2ccccc2)c2[nH+]ccn2C)c1 ZINC000009317645 204361641 /nfs/dbraw/zinc/36/16/41/204361641.db2.gz YFKLKPKXULPTIP-KRWDZBQOSA-N 1 2 357.435 2.497 50 0 FEAALO CC[N@H+](CCCNC(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1 ZINC000008729176 204342633 /nfs/dbraw/zinc/34/26/33/204342633.db2.gz IMXVHYXBFPBCJI-UHFFFAOYSA-N 1 2 350.426 2.309 50 0 FEAALO CC[N@@H+](CCCNC(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1 ZINC000008729176 204342637 /nfs/dbraw/zinc/34/26/37/204342637.db2.gz IMXVHYXBFPBCJI-UHFFFAOYSA-N 1 2 350.426 2.309 50 0 FEAALO CC[C@@H](C)[C@H]1[NH2+]C2(CCN(C(=S)NC(C)C)CC2)N(CC2CC2)C1=O ZINC000036029832 205001555 /nfs/dbraw/zinc/00/15/55/205001555.db2.gz DXCRLKIMXCMRGQ-GDBMZVCRSA-N 1 2 366.575 2.318 50 0 FEAALO CC[C@@H](C)CN1C(=O)[C@H](C)[NH2+]C12CCN(C(=O)c1ccc(OC)cc1)CC2 ZINC000036026278 205002150 /nfs/dbraw/zinc/00/21/50/205002150.db2.gz YJRUIMRVUZOOCW-CVEARBPZSA-N 1 2 373.497 2.494 50 0 FEAALO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000040074189 205052945 /nfs/dbraw/zinc/05/29/45/205052945.db2.gz HEWSUBUOTJQPFS-KRWDZBQOSA-N 1 2 364.449 2.351 50 0 FEAALO COc1ccc2cc(C[NH+]3CCN(C(=O)C(C)(C)C)CC3)c(=O)[nH]c2c1 ZINC000041377162 205089643 /nfs/dbraw/zinc/08/96/43/205089643.db2.gz PUMAUMPOXSVVRN-UHFFFAOYSA-N 1 2 357.454 2.227 50 0 FEAALO COc1ccc(CC(=O)NCc2cccnc2-n2cc[nH+]c2)c(OC)c1 ZINC000044899587 205113260 /nfs/dbraw/zinc/11/32/60/205113260.db2.gz TWUOIEKJRGRCHP-UHFFFAOYSA-N 1 2 352.394 2.143 50 0 FEAALO CC(=O)N(c1nc(C)c(C(=O)NCCc2c[nH+]c[nH]2)s1)C1CCCC1 ZINC000044903613 205114416 /nfs/dbraw/zinc/11/44/16/205114416.db2.gz NRMJYTXEQJJQGK-UHFFFAOYSA-N 1 2 361.471 2.443 50 0 FEAALO CC(=O)N(c1nc(C)c(C(=O)NCCc2c[nH]c[nH+]2)s1)C1CCCC1 ZINC000044903613 205114420 /nfs/dbraw/zinc/11/44/20/205114420.db2.gz NRMJYTXEQJJQGK-UHFFFAOYSA-N 1 2 361.471 2.443 50 0 FEAALO Cc1noc(/C=C/[NH+](C)C)c1S(=O)(=O)N(C)Cc1ccc(F)cc1 ZINC000049539887 205172639 /nfs/dbraw/zinc/17/26/39/205172639.db2.gz VTBHYWGVYJIRII-MDZDMXLPSA-N 1 2 353.419 2.475 50 0 FEAALO Cc1ccc(C(=O)NC2CC[NH+](CC(=O)NCc3ccco3)CC2)s1 ZINC000051098949 205181119 /nfs/dbraw/zinc/18/11/19/205181119.db2.gz TVZCJUFXADYRRU-UHFFFAOYSA-N 1 2 361.467 2.160 50 0 FEAALO c1coc(C[N@@H+](CCN2CCOCC2)Cc2cccn2-c2ncccn2)c1 ZINC000055392913 205218478 /nfs/dbraw/zinc/21/84/78/205218478.db2.gz LUZLXUWVGAPZIP-UHFFFAOYSA-N 1 2 367.453 2.195 50 0 FEAALO c1coc(C[N@H+](CCN2CCOCC2)Cc2cccn2-c2ncccn2)c1 ZINC000055392913 205218482 /nfs/dbraw/zinc/21/84/82/205218482.db2.gz LUZLXUWVGAPZIP-UHFFFAOYSA-N 1 2 367.453 2.195 50 0 FEAALO CN(CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)c1cccs1 ZINC000058341237 205272041 /nfs/dbraw/zinc/27/20/41/205272041.db2.gz YXZFLKYYYUZZGS-UHFFFAOYSA-N 1 2 372.425 2.461 50 0 FEAALO COC(=O)c1cccc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000058565053 205277905 /nfs/dbraw/zinc/27/79/05/205277905.db2.gz VZBQARXWLAPRST-SFHVURJKSA-N 1 2 374.462 2.151 50 0 FEAALO COC(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000058565053 205277910 /nfs/dbraw/zinc/27/79/10/205277910.db2.gz VZBQARXWLAPRST-SFHVURJKSA-N 1 2 374.462 2.151 50 0 FEAALO CCc1c[nH+]c(C)nc1N1CCN(Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000065453053 205351704 /nfs/dbraw/zinc/35/17/04/205351704.db2.gz VSKZJALRCPNSJU-UHFFFAOYSA-N 1 2 374.510 2.073 50 0 FEAALO CCc1cc(N2CC[NH+](Cc3ccc(Sc4nc[nH]n4)o3)CC2)ncn1 ZINC000065507252 205356453 /nfs/dbraw/zinc/35/64/53/205356453.db2.gz DILWHKAACFCVKC-UHFFFAOYSA-N 1 2 371.470 2.224 50 0 FEAALO CC(C)OC(=O)c1ccc(Cl)c(NC(=O)NCC[NH+]2CCOCC2)c1 ZINC000066162293 205363526 /nfs/dbraw/zinc/36/35/26/205363526.db2.gz QUTAFGMHLUOCGN-UHFFFAOYSA-N 1 2 369.849 2.359 50 0 FEAALO COCCn1c[nH+]cc1CNC(=O)c1cc(C)ccc1NC(=O)C(C)C ZINC000065369815 205339995 /nfs/dbraw/zinc/33/99/95/205339995.db2.gz QXVKCVZYCQHFTP-UHFFFAOYSA-N 1 2 358.442 2.362 50 0 FEAALO CCCc1cncnc1N1CC[NH+](Cc2cccn2-c2ncccn2)CC1 ZINC000065395880 205344947 /nfs/dbraw/zinc/34/49/47/205344947.db2.gz DTQLOYDBHIKUJV-UHFFFAOYSA-N 1 2 363.469 2.332 50 0 FEAALO C[C@H](C(=O)Nc1nccs1)[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000065404735 205347442 /nfs/dbraw/zinc/34/74/42/205347442.db2.gz LQPYGGFIOLPTHR-GFCCVEGCSA-N 1 2 371.466 2.369 50 0 FEAALO Cc1ccc(C(=O)N2CCN(c3cc(-n4cc[nH+]c4)ncn3)CC2)cc1C ZINC000067602066 205375860 /nfs/dbraw/zinc/37/58/60/205375860.db2.gz YJWXEZXZKZTQPL-UHFFFAOYSA-N 1 2 362.437 2.242 50 0 FEAALO COC(=O)c1cc2n(n1)CCCN(C(=O)c1ccccc1-c1[nH]cc[nH+]1)C2 ZINC000067689213 205384115 /nfs/dbraw/zinc/38/41/15/205384115.db2.gz RNGWMAPJIMXYLN-UHFFFAOYSA-N 1 2 365.393 2.106 50 0 FEAALO Cc1nc2ccccc2n1Cc1cc(C(=O)NCc2ccc[nH+]c2N)no1 ZINC000067820100 205394897 /nfs/dbraw/zinc/39/48/97/205394897.db2.gz PDKATBDKRCZQCG-UHFFFAOYSA-N 1 2 362.393 2.288 50 0 FEAALO CC(=O)c1ccc(S(=O)(=O)NCCc2cn3ccc(C)cc3[nH+]2)cc1 ZINC000004248493 206172308 /nfs/dbraw/zinc/17/23/08/206172308.db2.gz YOKNHVYTEBJGCC-UHFFFAOYSA-N 1 2 357.435 2.366 50 0 FEAALO CC(C)NC(=O)CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000007318338 206208068 /nfs/dbraw/zinc/20/80/68/206208068.db2.gz PLGZXRTWHFKBIH-UHFFFAOYSA-N 1 2 359.499 2.480 50 0 FEAALO CCOc1ccc(C[N@H+](C)CC(=O)NCC(=O)Nc2ccc(F)cc2)cc1 ZINC000007686760 206212168 /nfs/dbraw/zinc/21/21/68/206212168.db2.gz QVCJHOALEZUMLV-UHFFFAOYSA-N 1 2 373.428 2.411 50 0 FEAALO CCOc1ccc(C[N@@H+](C)CC(=O)NCC(=O)Nc2ccc(F)cc2)cc1 ZINC000007686760 206212172 /nfs/dbraw/zinc/21/21/72/206212172.db2.gz QVCJHOALEZUMLV-UHFFFAOYSA-N 1 2 373.428 2.411 50 0 FEAALO CC(C)[C@@H](C)NC(=O)C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000105646805 206232702 /nfs/dbraw/zinc/23/27/02/206232702.db2.gz VMPKLASRUQADHI-APWZRJJASA-N 1 2 357.498 2.196 50 0 FEAALO CC(C)[C@@H](C)NC(=O)C[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000105646805 206232705 /nfs/dbraw/zinc/23/27/05/206232705.db2.gz VMPKLASRUQADHI-APWZRJJASA-N 1 2 357.498 2.196 50 0 FEAALO CC(C)S(=O)(=O)[C@H](C)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106529531 206311402 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CCc1nnsc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000058268597 535869490 /nfs/dbraw/zinc/86/94/90/535869490.db2.gz AJTIWSKRNRJJPU-RYUDHWBXSA-N 1 2 361.471 2.039 50 0 FEAALO COc1ccccc1[C@H](c1[nH+]ccn1C)N1C(=O)CN(CC(C)C)C1=O ZINC000170592439 546162195 /nfs/dbraw/zinc/16/21/95/546162195.db2.gz NPTMKSJJYHLKHV-QGZVFWFLSA-N 1 2 356.426 2.438 50 0 FEAALO COCCn1c[nH+]cc1CNC(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC000220450447 548700047 /nfs/dbraw/zinc/70/00/47/548700047.db2.gz UGFXMNWTTRQZNM-UHFFFAOYSA-N 1 2 367.453 2.321 50 0 FEAALO COc1cccc(OCC(=O)N2CC[N@H+](Cc3cccnc3)C[C@H]2C)c1 ZINC000225617173 548739001 /nfs/dbraw/zinc/73/90/01/548739001.db2.gz PLXBRFZFGMHMFT-MRXNPFEDSA-N 1 2 355.438 2.202 50 0 FEAALO COc1cccc(OCC(=O)N2CC[N@@H+](Cc3cccnc3)C[C@H]2C)c1 ZINC000225617173 548739004 /nfs/dbraw/zinc/73/90/04/548739004.db2.gz PLXBRFZFGMHMFT-MRXNPFEDSA-N 1 2 355.438 2.202 50 0 FEAALO CCSc1nnc(NC(=O)C[NH+]2CCC(c3cc[nH]n3)CC2)s1 ZINC000244691716 548892353 /nfs/dbraw/zinc/89/23/53/548892353.db2.gz 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ZINC000299774709 553613401 /nfs/dbraw/zinc/61/34/01/553613401.db2.gz FWMDDUSKJRYOAC-INIZCTEOSA-N 1 2 360.845 2.306 50 0 FEAALO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(c2ccc(Cl)cc2)CCC1 ZINC000299774709 553613403 /nfs/dbraw/zinc/61/34/03/553613403.db2.gz FWMDDUSKJRYOAC-INIZCTEOSA-N 1 2 360.845 2.306 50 0 FEAALO O=C(C[NH+]1CCN(c2ccnc3ccncc32)CC1)N1CCc2ccccc21 ZINC000333609079 554627497 /nfs/dbraw/zinc/62/74/97/554627497.db2.gz ZWYMSBXXUXMJFC-UHFFFAOYSA-N 1 2 373.460 2.341 50 0 FEAALO C[C@@H](C(=O)Nc1cccc2c1OCC(=O)N2)[N@@H+]1CCc2ccccc2C1 ZINC000377964373 558453599 /nfs/dbraw/zinc/45/35/99/558453599.db2.gz DNXWFYWLMQUOIL-ZDUSSCGKSA-N 1 2 351.406 2.403 50 0 FEAALO C[C@@H](C(=O)Nc1cccc2c1OCC(=O)N2)[N@H+]1CCc2ccccc2C1 ZINC000377964373 558453602 /nfs/dbraw/zinc/45/36/02/558453602.db2.gz DNXWFYWLMQUOIL-ZDUSSCGKSA-N 1 2 351.406 2.403 50 0 FEAALO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1csc(-c2ccccn2)n1 ZINC000378052619 558470384 /nfs/dbraw/zinc/47/03/84/558470384.db2.gz MNVZLKDLDHUSNQ-CZUORRHYSA-N 1 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Cc1[nH+]c2ccccc2n1CCNC(=O)CNC(=O)c1ccc(C)cc1 ZINC000010737343 539520030 /nfs/dbraw/zinc/52/00/30/539520030.db2.gz UPDJCSYFNAZDTI-UHFFFAOYSA-N 1 2 350.422 2.199 50 0 FEAALO COc1ccccc1C[N@H+](C)CC(=O)Nc1oc(C)c2c1c(=O)[nH]nc2C ZINC000011290794 539527082 /nfs/dbraw/zinc/52/70/82/539527082.db2.gz FBOXKBHLISGTCD-UHFFFAOYSA-N 1 2 370.409 2.212 50 0 FEAALO COc1ccccc1C[N@@H+](C)CC(=O)Nc1oc(C)c2c1c(=O)[nH]nc2C ZINC000011290794 539527085 /nfs/dbraw/zinc/52/70/85/539527085.db2.gz FBOXKBHLISGTCD-UHFFFAOYSA-N 1 2 370.409 2.212 50 0 FEAALO Cc1ocnc1C(=O)NCc1ccc[nH+]c1N(C)CCc1ccccn1 ZINC000011821879 539536260 /nfs/dbraw/zinc/53/62/60/539536260.db2.gz KWQVWMOAALVOPG-UHFFFAOYSA-N 1 2 351.410 2.382 50 0 FEAALO CCN(Cc1[nH+]ccn1C)C(=O)c1ccc(N2CCC[C@@H](OC)C2)nc1 ZINC000012300664 539552728 /nfs/dbraw/zinc/55/27/28/539552728.db2.gz SYTUAAQFCGMIDU-MRXNPFEDSA-N 1 2 357.458 2.093 50 0 FEAALO CN(c1[nH+]cccc1CNC(=O)CCN1CCCC1=O)C1CCCCC1 ZINC000012386971 539557080 /nfs/dbraw/zinc/55/70/80/539557080.db2.gz 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50 0 FEAALO O=C(NCCCn1cc[nH+]c1)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000023238688 539709255 /nfs/dbraw/zinc/70/92/55/539709255.db2.gz LBAOPJIIROXLMQ-UHFFFAOYSA-N 1 2 360.421 2.496 50 0 FEAALO O=C(NC[C@H]1COc2ccccc2O1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000023718073 539719110 /nfs/dbraw/zinc/71/91/10/539719110.db2.gz FXBZOPYWELASQC-SFHVURJKSA-N 1 2 368.433 2.089 50 0 FEAALO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000024243083 539728397 /nfs/dbraw/zinc/72/83/97/539728397.db2.gz HESCQXDPTWTQGT-AWEZNQCLSA-N 1 2 351.878 2.004 50 0 FEAALO CN(C(=O)C[N@H+](C)Cc1ccc(C(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000024820180 539742044 /nfs/dbraw/zinc/74/20/44/539742044.db2.gz LGCFKBRJVGIIKL-KRWDZBQOSA-N 1 2 366.527 2.061 50 0 FEAALO CN(C(=O)C[N@@H+](C)Cc1ccc(C(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000024820180 539742048 /nfs/dbraw/zinc/74/20/48/539742048.db2.gz LGCFKBRJVGIIKL-KRWDZBQOSA-N 1 2 366.527 2.061 50 0 FEAALO O=C(CN1C(=O)COc2ccccc21)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000025172084 539750030 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COC(=O)c1cccc2c3c([nH]c21)CCN(c1[nH+]cnc2c1cnn2C)C3 ZINC000025577965 539763822 /nfs/dbraw/zinc/76/38/22/539763822.db2.gz WVUXCHUREZUQLK-UHFFFAOYSA-N 1 2 362.393 2.194 50 0 FEAALO O=S(=O)(NCc1ccccc1C[NH+]1CCOCC1)c1cccs1 ZINC000026358017 539784679 /nfs/dbraw/zinc/78/46/79/539784679.db2.gz JOXXFVWPALSKBQ-UHFFFAOYSA-N 1 2 352.481 2.059 50 0 FEAALO COc1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000026839667 539794703 /nfs/dbraw/zinc/79/47/03/539794703.db2.gz HLLHPUKZRPCGJQ-CYBMUJFWSA-N 1 2 366.508 2.482 50 0 FEAALO COc1ccc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000026839667 539794706 /nfs/dbraw/zinc/79/47/06/539794706.db2.gz HLLHPUKZRPCGJQ-CYBMUJFWSA-N 1 2 366.508 2.482 50 0 FEAALO CS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000031313825 539904190 /nfs/dbraw/zinc/90/41/90/539904190.db2.gz RNCASRFRNRNNQX-UHFFFAOYSA-N 1 2 359.451 2.015 50 0 FEAALO O=C(NCc1cccnc1)c1nc(-c2ccc(Cn3cc[nH+]c3)cc2)no1 ZINC000031807972 539920166 /nfs/dbraw/zinc/92/01/66/539920166.db2.gz GMZVOCIWEIHULY-UHFFFAOYSA-N 1 2 360.377 2.306 50 0 FEAALO S=c1scnn1CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000032909060 539958867 /nfs/dbraw/zinc/95/88/67/539958867.db2.gz HOAYMMKEYXHXMH-UHFFFAOYSA-N 1 2 350.469 2.178 50 0 FEAALO COc1ccc(NC(=O)C[N@H+]2CC=C(c3cnn(C)c3)CC2)cc1OC ZINC000035403404 539981529 /nfs/dbraw/zinc/98/15/29/539981529.db2.gz IFXWJDYLPJVCAT-UHFFFAOYSA-N 1 2 356.426 2.165 50 0 FEAALO COc1ccc(NC(=O)C[N@@H+]2CC=C(c3cnn(C)c3)CC2)cc1OC ZINC000035403404 539981533 /nfs/dbraw/zinc/98/15/33/539981533.db2.gz IFXWJDYLPJVCAT-UHFFFAOYSA-N 1 2 356.426 2.165 50 0 FEAALO CC(C)NC(=O)C[NH+]1CCN(c2cc(Oc3ccccc3F)ncn2)CC1 ZINC000037377146 539996244 /nfs/dbraw/zinc/99/62/44/539996244.db2.gz OJHQTGJWLYMCGE-UHFFFAOYSA-N 1 2 373.432 2.055 50 0 FEAALO CNC(=O)c1ccc(NC(=O)C[N@H+]2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000040018018 540004071 /nfs/dbraw/zinc/00/40/71/540004071.db2.gz UTKAMNLPQUHDLU-UHFFFAOYSA-N 1 2 365.433 2.480 50 0 FEAALO CNC(=O)c1ccc(NC(=O)C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000040018018 540004075 /nfs/dbraw/zinc/00/40/75/540004075.db2.gz UTKAMNLPQUHDLU-UHFFFAOYSA-N 1 2 365.433 2.480 50 0 FEAALO O=C(CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1)N1CCCCC1 ZINC000040162243 540008889 /nfs/dbraw/zinc/00/88/89/540008889.db2.gz LJSTVZDOAAIDGG-UHFFFAOYSA-N 1 2 365.905 2.349 50 0 FEAALO O=C(C[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1)N1CCCCC1 ZINC000040162243 540008890 /nfs/dbraw/zinc/00/88/90/540008890.db2.gz LJSTVZDOAAIDGG-UHFFFAOYSA-N 1 2 365.905 2.349 50 0 FEAALO Cn1ncc2c1nc[nH+]c2NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000069952044 541726766 /nfs/dbraw/zinc/72/67/66/541726766.db2.gz NGNUCDYPGWXTNY-HNNXBMFYSA-N 1 2 352.398 2.093 50 0 FEAALO Cc1ccc(C(N)=O)c(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)[nH+]1 ZINC000071278543 541765914 /nfs/dbraw/zinc/76/59/14/541765914.db2.gz BSDMMUCEMDHNBZ-UHFFFAOYSA-N 1 2 351.385 2.393 50 0 FEAALO CCc1c(C)cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c(=O)n1C ZINC000071735618 541769881 /nfs/dbraw/zinc/76/98/81/541769881.db2.gz VTLZUNYIMVNXPT-UHFFFAOYSA-N 1 2 350.422 2.372 50 0 FEAALO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCn1cc[nH+]c1 ZINC000071792669 541772199 /nfs/dbraw/zinc/77/21/99/541772199.db2.gz JKLBURXWABBLSP-KRWDZBQOSA-N 1 2 358.442 2.340 50 0 FEAALO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3CCCS(=O)(=O)N(C)C)nc2c1 ZINC000072146631 541788247 /nfs/dbraw/zinc/78/82/47/541788247.db2.gz VXNLPUAUPNETBG-MRXNPFEDSA-N 1 2 350.488 2.290 50 0 FEAALO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3CCCS(=O)(=O)N(C)C)nc2c1 ZINC000072146631 541788250 /nfs/dbraw/zinc/78/82/50/541788250.db2.gz VXNLPUAUPNETBG-MRXNPFEDSA-N 1 2 350.488 2.290 50 0 FEAALO Cc1ccc2nc([C@H]3CCC[N@H+]3CCCS(=O)(=O)N(C)C)[nH]c2c1 ZINC000072146631 541788254 /nfs/dbraw/zinc/78/82/54/541788254.db2.gz VXNLPUAUPNETBG-MRXNPFEDSA-N 1 2 350.488 2.290 50 0 FEAALO Cc1ccc2nc([C@H]3CCC[N@@H+]3CCCS(=O)(=O)N(C)C)[nH]c2c1 ZINC000072146631 541788257 /nfs/dbraw/zinc/78/82/57/541788257.db2.gz VXNLPUAUPNETBG-MRXNPFEDSA-N 1 2 350.488 2.290 50 0 FEAALO CCOc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)N2CCCCCC2)cc1 ZINC000072150830 541790030 /nfs/dbraw/zinc/79/00/30/541790030.db2.gz ULYVBNURGCRQNX-IBGZPJMESA-N 1 2 373.497 2.178 50 0 FEAALO CCOc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)N2CCCCCC2)cc1 ZINC000072150830 541790033 /nfs/dbraw/zinc/79/00/33/541790033.db2.gz ULYVBNURGCRQNX-IBGZPJMESA-N 1 2 373.497 2.178 50 0 FEAALO CCCN(Cc1[nH+]ccn1C)C(=O)c1cn(Cc2ccc(F)cc2)nn1 ZINC000072163680 541793586 /nfs/dbraw/zinc/79/35/86/541793586.db2.gz PNNQSKIDDSJIJB-UHFFFAOYSA-N 1 2 356.405 2.251 50 0 FEAALO CCCCN(C(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1cccs1)C(C)C ZINC000072167192 541794093 /nfs/dbraw/zinc/79/40/93/541794093.db2.gz CUMRANLACWCZKF-INIZCTEOSA-N 1 2 351.516 2.476 50 0 FEAALO CCCCN(C(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1cccs1)C(C)C ZINC000072167192 541794096 /nfs/dbraw/zinc/79/40/96/541794096.db2.gz CUMRANLACWCZKF-INIZCTEOSA-N 1 2 351.516 2.476 50 0 FEAALO C[C@H]1C[NH+]=C(N2CCN(C(=O)Cc3ccc(OC(F)F)cc3)CC2)S1 ZINC000072298018 541797643 /nfs/dbraw/zinc/79/76/43/541797643.db2.gz NTEBSVDXMWHNKF-LBPRGKRZSA-N 1 2 369.437 2.466 50 0 FEAALO COCCCN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(CC(C)C)[nH]n3)CC[C@H]21 ZINC000072407241 541805662 /nfs/dbraw/zinc/80/56/62/541805662.db2.gz NLOMVWIPSLVCDY-QFBILLFUSA-N 1 2 362.518 2.458 50 0 FEAALO COCCCN1C(=O)CC[C@H]2C[N@H+](Cc3cc(CC(C)C)[nH]n3)CC[C@H]21 ZINC000072407241 541805663 /nfs/dbraw/zinc/80/56/63/541805663.db2.gz NLOMVWIPSLVCDY-QFBILLFUSA-N 1 2 362.518 2.458 50 0 FEAALO Cc1nc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cccs3)C2)no1 ZINC000072426732 541811245 /nfs/dbraw/zinc/81/12/45/541811245.db2.gz UWIKZZWVZRVPBW-GOEBONIOSA-N 1 2 360.483 2.495 50 0 FEAALO Cc1nc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cccs3)C2)no1 ZINC000072426732 541811247 /nfs/dbraw/zinc/81/12/47/541811247.db2.gz UWIKZZWVZRVPBW-GOEBONIOSA-N 1 2 360.483 2.495 50 0 FEAALO COC(=O)N1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000072463288 541817629 /nfs/dbraw/zinc/81/76/29/541817629.db2.gz KKUQWDVUJJXQIV-QGZVFWFLSA-N 1 2 363.433 2.091 50 0 FEAALO C[N@H+](Cc1nc2c(s1)CCCC2)[C@H]1CN(Cc2ccccn2)C[C@@H]1O ZINC000072479761 541821595 /nfs/dbraw/zinc/82/15/95/541821595.db2.gz FHVLREYSGJQVOS-IRXDYDNUSA-N 1 2 358.511 2.094 50 0 FEAALO C[N@@H+](Cc1nc2c(s1)CCCC2)[C@H]1CN(Cc2ccccn2)C[C@@H]1O ZINC000072479761 541821597 /nfs/dbraw/zinc/82/15/97/541821597.db2.gz FHVLREYSGJQVOS-IRXDYDNUSA-N 1 2 358.511 2.094 50 0 FEAALO C[NH+](C)C[C@@]1(O)CCN(c2[nH+]c(-c3ccc(F)cc3)ccc2C(=O)[O-])C1 ZINC000072478877 541820408 /nfs/dbraw/zinc/82/04/08/541820408.db2.gz ZCAONEDSSMTRKA-IBGZPJMESA-N 1 2 359.401 2.089 50 0 FEAALO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)NC(=O)NCC(C)C)c(OC)c1 ZINC000007740275 204305367 /nfs/dbraw/zinc/30/53/67/204305367.db2.gz MARMKVRBQFKCHK-MRXNPFEDSA-N 1 2 363.458 2.323 50 0 FEAALO COc1ccc([C@H]2CCC[N@H+]2CC(=O)NC(=O)NCC(C)C)c(OC)c1 ZINC000007740275 204305372 /nfs/dbraw/zinc/30/53/72/204305372.db2.gz MARMKVRBQFKCHK-MRXNPFEDSA-N 1 2 363.458 2.323 50 0 FEAALO Cc1[nH]sc(=[NH2+])c1C(=O)OCC(=O)Nc1cccc(Br)c1 ZINC000008924307 204349242 /nfs/dbraw/zinc/34/92/42/204349242.db2.gz VIIDTGAOFLHLBN-UHFFFAOYSA-N 1 2 370.228 2.422 50 0 FEAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc21)c1ccccc1 ZINC000009637911 204377169 /nfs/dbraw/zinc/37/71/69/204377169.db2.gz KNXNZYCJSDIKGY-KRWDZBQOSA-N 1 2 373.416 2.186 50 0 FEAALO NC(=O)CCSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1 ZINC000008729030 204342451 /nfs/dbraw/zinc/34/24/51/204342451.db2.gz HSMQSKFGLYCLGX-UHFFFAOYSA-N 1 2 363.462 2.360 50 0 FEAALO COc1ccc(C(=O)N2CC[NH+](Cc3c(C)noc3C)CC2)c(OC)c1 ZINC000038679254 204850791 /nfs/dbraw/zinc/85/07/91/204850791.db2.gz DAAANRHIIIZCIA-UHFFFAOYSA-N 1 2 359.426 2.267 50 0 FEAALO CCC[NH+]1CCN(S(=O)(=O)c2ccc(-c3cc(C)no3)s2)CC1 ZINC000036383434 205013997 /nfs/dbraw/zinc/01/39/97/205013997.db2.gz VJQVVJPREDBBMO-UHFFFAOYSA-N 1 2 355.485 2.428 50 0 FEAALO CCCOc1ccc(OCC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000036733119 205021471 /nfs/dbraw/zinc/02/14/71/205021471.db2.gz QFXPQMSWFBYOEG-UHFFFAOYSA-N 1 2 350.459 2.081 50 0 FEAALO O=C(NCC[NH+]1CCOCC1)c1ccnc2c(Br)cccc12 ZINC000072243413 205030766 /nfs/dbraw/zinc/03/07/66/205030766.db2.gz AGOJWFJOVBVUHC-UHFFFAOYSA-N 1 2 364.243 2.059 50 0 FEAALO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000040092405 205054076 /nfs/dbraw/zinc/05/40/76/205054076.db2.gz VZKOILFQWUYVPT-KMYSJOAASA-N 1 2 358.486 2.111 50 0 FEAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)NCCc1ccc(F)cc1 ZINC000041624487 205092204 /nfs/dbraw/zinc/09/22/04/205092204.db2.gz BKILBIOFQJOBOM-SZMVWBNQSA-N 1 2 362.445 2.291 50 0 FEAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)NCCc1ccc(F)cc1 ZINC000041624487 205092208 /nfs/dbraw/zinc/09/22/08/205092208.db2.gz BKILBIOFQJOBOM-SZMVWBNQSA-N 1 2 362.445 2.291 50 0 FEAALO O=C(NCC[NH+]1CCOCC1)c1ccccc1SC[C@H]1CCCO1 ZINC000052893791 205188228 /nfs/dbraw/zinc/18/82/28/205188228.db2.gz CKUAWCPNTWWCNR-OAHLLOKOSA-N 1 2 350.484 2.020 50 0 FEAALO Cc1cc(NC(=O)C[NH+]2CCC(NC(=O)c3ccc(C)s3)CC2)on1 ZINC000051098510 205181276 /nfs/dbraw/zinc/18/12/76/205181276.db2.gz ZIHXAZLQAAGMPF-UHFFFAOYSA-N 1 2 362.455 2.186 50 0 FEAALO CCOC(=O)C1CC[NH+]([C@@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)CC1 ZINC000057327648 205237520 /nfs/dbraw/zinc/23/75/20/205237520.db2.gz BTYBUUJMDVTPDW-ZDUSSCGKSA-N 1 2 364.442 2.264 50 0 FEAALO Cc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)OCc1ccccc1 ZINC000055421964 205219077 /nfs/dbraw/zinc/21/90/77/205219077.db2.gz CCOYRJYYDRTOML-IBGZPJMESA-N 1 2 352.434 2.429 50 0 FEAALO Cc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)OCc1ccccc1 ZINC000055421964 205219082 /nfs/dbraw/zinc/21/90/82/205219082.db2.gz CCOYRJYYDRTOML-IBGZPJMESA-N 1 2 352.434 2.429 50 0 FEAALO COC(=O)NC[C@@H](c1cccnc1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000058136043 205250407 /nfs/dbraw/zinc/25/04/07/205250407.db2.gz BRSDYTOIPXVADW-SFHVURJKSA-N 1 2 358.417 2.440 50 0 FEAALO CC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC[C@H](C)c2nc3ccccc3s2)C1 ZINC000058332440 205271423 /nfs/dbraw/zinc/27/14/23/205271423.db2.gz DHNLMXPZZIKPHM-ZFWWWQNUSA-N 1 2 374.510 2.117 50 0 FEAALO CC(=O)N[C@H]1CCC[N@H+](CC(=O)NC[C@H](C)c2nc3ccccc3s2)C1 ZINC000058332440 205271427 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C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000032431181 539938637 /nfs/dbraw/zinc/93/86/37/539938637.db2.gz YEICERSAXFCPEB-UHFFFAOYSA-N 1 2 367.405 2.055 50 0 FEAALO COC(=O)c1cnc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000032843457 539955853 /nfs/dbraw/zinc/95/58/53/539955853.db2.gz NYPOUKJXBHGIAB-UHFFFAOYSA-N 1 2 361.423 2.014 50 0 FEAALO COCCCNC(=O)C[N@H+]1CC=C(c2cnn(-c3ccc(C)cc3)c2)CC1 ZINC000035403760 539981199 /nfs/dbraw/zinc/98/11/99/539981199.db2.gz YMHNUFKYCWHWEH-UHFFFAOYSA-N 1 2 368.481 2.423 50 0 FEAALO COCCCNC(=O)C[N@@H+]1CC=C(c2cnn(-c3ccc(C)cc3)c2)CC1 ZINC000035403760 539981201 /nfs/dbraw/zinc/98/12/01/539981201.db2.gz YMHNUFKYCWHWEH-UHFFFAOYSA-N 1 2 368.481 2.423 50 0 FEAALO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc2[nH]cnc2c1 ZINC000039985633 540003269 /nfs/dbraw/zinc/00/32/69/540003269.db2.gz NYPJELCWDDSXEF-QGZVFWFLSA-N 1 2 350.422 2.194 50 0 FEAALO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc2[nH]cnc2c1 ZINC000039985633 540003273 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Cn1cnc(S(=O)(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000069094410 541656918 /nfs/dbraw/zinc/65/69/18/541656918.db2.gz JUFCBTGZEHCLGC-UHFFFAOYSA-N 1 2 370.478 2.080 50 0 FEAALO Cn1cc[nH+]c1-c1cccc(NC(=O)c2ccc(OCC(N)=O)cc2)c1 ZINC000069370272 541680902 /nfs/dbraw/zinc/68/09/02/541680902.db2.gz KBRLFXWROPLYNS-UHFFFAOYSA-N 1 2 350.378 2.204 50 0 FEAALO COc1ccc(-c2nc(C[N@@H+]3CCNC(=O)CC3)c(C)o2)c(OC)c1C ZINC000071404122 541766545 /nfs/dbraw/zinc/76/65/45/541766545.db2.gz XIUHZPLXEQFXDF-UHFFFAOYSA-N 1 2 359.426 2.298 50 0 FEAALO COc1ccc(-c2nc(C[N@H+]3CCNC(=O)CC3)c(C)o2)c(OC)c1C ZINC000071404122 541766549 /nfs/dbraw/zinc/76/65/49/541766549.db2.gz XIUHZPLXEQFXDF-UHFFFAOYSA-N 1 2 359.426 2.298 50 0 FEAALO CCCCN(C)C(=O)c1nc2ccccn2c1C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000071755144 541770854 /nfs/dbraw/zinc/77/08/54/541770854.db2.gz OEPOXBQBXZBRSA-HNNXBMFYSA-N 1 2 371.485 2.046 50 0 FEAALO CCCCN(C)C(=O)c1nc2ccccn2c1C[N@H+]1CCCC[C@H]1C(N)=O ZINC000071755144 541770858 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O=C(Cc1ccc(-n2cccn2)cc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000048367344 205160387 /nfs/dbraw/zinc/16/03/87/205160387.db2.gz BCMVMXYFOCWFGF-UHFFFAOYSA-N 1 2 361.449 2.154 50 0 FEAALO NC(=O)CCN(C(=O)C[N@@H+]1CCc2sccc2C1)c1ccc(F)cc1 ZINC000057442506 205239907 /nfs/dbraw/zinc/23/99/07/205239907.db2.gz YCMKJQRVFPBEBK-UHFFFAOYSA-N 1 2 361.442 2.154 50 0 FEAALO NC(=O)CCN(C(=O)C[N@H+]1CCc2sccc2C1)c1ccc(F)cc1 ZINC000057442506 205239911 /nfs/dbraw/zinc/23/99/11/205239911.db2.gz YCMKJQRVFPBEBK-UHFFFAOYSA-N 1 2 361.442 2.154 50 0 FEAALO O=C(NCC[NH+]1CCCC1)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000065085166 205316532 /nfs/dbraw/zinc/31/65/32/205316532.db2.gz FEVDCVAKGPMAFX-UHFFFAOYSA-N 1 2 364.492 2.407 50 0 FEAALO CCN(CC)c1[nH+]cnc2c1cnn2CC(=O)NCc1cc(F)cc(F)c1 ZINC000065295953 205335082 /nfs/dbraw/zinc/33/50/82/205335082.db2.gz SUIQARITUMZQQS-UHFFFAOYSA-N 1 2 374.395 2.267 50 0 FEAALO CCN(CC)c1[nH+]cnc2c1cnn2CC(=O)NCc1ccccc1C ZINC000065295999 205335336 /nfs/dbraw/zinc/33/53/36/205335336.db2.gz GDSXKXCWTQVMGK-UHFFFAOYSA-N 1 2 352.442 2.297 50 0 FEAALO Cc1nc(-n2cccn2)cc(N2CCN(C(=O)Nc3ccccc3)CC2)[nH+]1 ZINC000065363788 205339730 /nfs/dbraw/zinc/33/97/30/205339730.db2.gz VEYAVKGICUNGJC-UHFFFAOYSA-N 1 2 363.425 2.325 50 0 FEAALO COc1ncccc1C[NH+]1CCN(c2cc(-c3nc(C)no3)ccn2)CC1 ZINC000065372311 205340829 /nfs/dbraw/zinc/34/08/29/205340829.db2.gz PTDKOPNHJJSTNP-UHFFFAOYSA-N 1 2 366.425 2.166 50 0 FEAALO OCC(CO)[N@@H+]1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067641505 205378796 /nfs/dbraw/zinc/37/87/96/205378796.db2.gz ZSKWAPQSTPDADM-UHFFFAOYSA-N 1 2 372.446 2.217 50 0 FEAALO OCC(CO)[N@H+]1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067641505 205378801 /nfs/dbraw/zinc/37/88/01/205378801.db2.gz ZSKWAPQSTPDADM-UHFFFAOYSA-N 1 2 372.446 2.217 50 0 FEAALO O=C(CCc1cn2ccccc2[nH+]1)N1CCC2(CC1)CCNC(=O)CC2 ZINC000067675319 205381273 /nfs/dbraw/zinc/38/12/73/205381273.db2.gz OCBPLMMAJFNKPD-UHFFFAOYSA-N 1 2 354.454 2.176 50 0 FEAALO Cc1cc(C)n([C@@H]2CCN(C(=O)C[N@@H+]3CCOc4ccccc4C3)C2)n1 ZINC000067679054 205382753 /nfs/dbraw/zinc/38/27/53/205382753.db2.gz KFGUUVYGAQYJSX-GOSISDBHSA-N 1 2 354.454 2.168 50 0 FEAALO Cc1cc(C)n([C@@H]2CCN(C(=O)C[N@H+]3CCOc4ccccc4C3)C2)n1 ZINC000067679054 205382756 /nfs/dbraw/zinc/38/27/56/205382756.db2.gz KFGUUVYGAQYJSX-GOSISDBHSA-N 1 2 354.454 2.168 50 0 FEAALO CC[C@@]1(C(=O)[O-])C[C@H](C(=O)NCc2[nH]cc[nH+]2)[C@H](c2ccc(F)cc2)[N@@H+]1C ZINC000067688461 205384000 /nfs/dbraw/zinc/38/40/00/205384000.db2.gz YXFAMZOQQYDDCT-QOKNQOGYSA-N 1 2 374.416 2.091 50 0 FEAALO CC[C@@]1(C(=O)[O-])C[C@H](C(=O)NCc2[nH]cc[nH+]2)[C@H](c2ccc(F)cc2)[N@H+]1C ZINC000067688461 205384004 /nfs/dbraw/zinc/38/40/04/205384004.db2.gz YXFAMZOQQYDDCT-QOKNQOGYSA-N 1 2 374.416 2.091 50 0 FEAALO COc1ccc([C@@H](C)N(C)C(=O)c2cc(C[NH+]3CCC(O)CC3)on2)cc1 ZINC000067688524 205384610 /nfs/dbraw/zinc/38/46/10/205384610.db2.gz QSMBIAGZDCLGRW-CQSZACIVSA-N 1 2 373.453 2.473 50 0 FEAALO C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000067968061 205407163 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COC(=O)c1ccc(C[N@H+]2CCN(Cc3ccc(C)o3)[C@H](CCO)C2)cc1 ZINC000104420221 206238752 /nfs/dbraw/zinc/23/87/52/206238752.db2.gz YFZDKACVPQHWER-LJQANCHMSA-N 1 2 372.465 2.443 50 0 FEAALO COc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](CO)C3)CC2)cc1C(=O)[O-] ZINC000215916957 206351388 /nfs/dbraw/zinc/35/13/88/206351388.db2.gz ZKJVJPIFGIJRBJ-MRXNPFEDSA-N 1 2 362.470 2.062 50 0 FEAALO COc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](CO)C3)CC2)cc1C(=O)[O-] ZINC000215916957 206351393 /nfs/dbraw/zinc/35/13/93/206351393.db2.gz ZKJVJPIFGIJRBJ-MRXNPFEDSA-N 1 2 362.470 2.062 50 0 FEAALO O=C(C[NH+]1Cc2ccccc2C1)N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1 ZINC000218947261 206376743 /nfs/dbraw/zinc/37/67/43/206376743.db2.gz XNSCKMXZDNVUEA-WOJBJXKFSA-N 1 2 370.424 2.494 50 0 FEAALO COc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC000022535151 206379575 /nfs/dbraw/zinc/37/95/75/206379575.db2.gz BBJYRYUWOUAVQH-UHFFFAOYSA-N 1 2 361.398 2.499 50 0 FEAALO Cc1nnc(CN2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C(C)C)CC2)[nH]1 ZINC000076017739 542224520 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Cc1noc([C@H]([NH2+]CC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)C(C)C)n1 ZINC000108166425 570904198 /nfs/dbraw/zinc/90/41/98/570904198.db2.gz ORBOXIBUZKMODG-OSAQELSMSA-N 1 2 351.451 2.069 50 0 FEAALO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000084367714 571083704 /nfs/dbraw/zinc/08/37/04/571083704.db2.gz XNDFVUJMYPSXFX-INIZCTEOSA-N 1 2 358.873 2.443 50 0 FEAALO O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1[NH+]1CCCCC1)c1cccc2ccccc21 ZINC000084598265 571091725 /nfs/dbraw/zinc/09/17/25/571091725.db2.gz BLIHGTKTNSHVCK-MOPGFXCFSA-N 1 2 372.490 2.221 50 0 FEAALO CSCC[C@H](NC(C)=O)C(=O)N1CC[C@H](n2c(C)[nH+]c3ccccc32)C1 ZINC000575617424 571170163 /nfs/dbraw/zinc/17/01/63/571170163.db2.gz PUXUOJBOVAULBH-RDJZCZTQSA-N 1 2 374.510 2.376 50 0 FEAALO CCc1noc(C[N@@H+]2CCC[C@H](c3nnc(CN4CCCCC4)n3C)C2)n1 ZINC000426405081 571220808 /nfs/dbraw/zinc/22/08/08/571220808.db2.gz CVORAMRWGJLLCI-HNNXBMFYSA-N 1 2 373.505 2.126 50 0 FEAALO CCc1noc(C[N@H+]2CCC[C@H](c3nnc(CN4CCCCC4)n3C)C2)n1 ZINC000426405081 571220809 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CN(C)c1ncc(C[N@@H+]2CCN(Cc3ccsc3)[C@@H](CCO)C2)s1 ZINC000020454996 670030591 /nfs/dbraw/zinc/03/05/91/670030591.db2.gz HOKMSVSNPPRNMC-HNNXBMFYSA-N 1 2 366.556 2.339 50 0 FEAALO CN(C)c1ncc(C[N@H+]2CCN(Cc3ccsc3)[C@@H](CCO)C2)s1 ZINC000020454996 670030594 /nfs/dbraw/zinc/03/05/94/670030594.db2.gz HOKMSVSNPPRNMC-HNNXBMFYSA-N 1 2 366.556 2.339 50 0 FEAALO O=C1C[C@H]([NH+]2CCSCC2)C(=O)N1c1cccc(Br)c1 ZINC000000705750 539332172 /nfs/dbraw/zinc/33/21/72/539332172.db2.gz XIBMPLRXDCXXOC-LBPRGKRZSA-N 1 2 355.257 2.130 50 0 FEAALO N=C1N(CCN2CCOCC2)c2ccccc2[N@@H+]1CC(=O)c1cccs1 ZINC000000847451 539334759 /nfs/dbraw/zinc/33/47/59/539334759.db2.gz CYDJZRPQBBRNAX-UHFFFAOYSA-N 1 2 370.478 2.199 50 0 FEAALO N=C1N(CCN2CCOCC2)c2ccccc2[N@H+]1CC(=O)c1cccs1 ZINC000000847451 539334764 /nfs/dbraw/zinc/33/47/64/539334764.db2.gz CYDJZRPQBBRNAX-UHFFFAOYSA-N 1 2 370.478 2.199 50 0 FEAALO CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1cccc[nH+]1 ZINC000000968328 539336194 /nfs/dbraw/zinc/33/61/94/539336194.db2.gz 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FEAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc2nsnc2c1 ZINC000013325095 539585580 /nfs/dbraw/zinc/58/55/80/539585580.db2.gz WUISVOFGGJYRDU-UHFFFAOYSA-N 1 2 353.451 2.452 50 0 FEAALO COc1ccc(Cl)cc1C1N=NC(=S)N1CC[NH+]1CCOCC1 ZINC000013723208 539591534 /nfs/dbraw/zinc/59/15/34/539591534.db2.gz AEBMKZKANPLYIX-UHFFFAOYSA-N 1 2 354.863 2.228 50 0 FEAALO C[C@H]1C[NH+](C(C)(C)CNS(=O)(=O)c2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000014098607 539594704 /nfs/dbraw/zinc/59/47/04/539594704.db2.gz UIOBHIICNLTHNE-RYUDHWBXSA-N 1 2 362.442 2.131 50 0 FEAALO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)CC(=O)N1CCOCC1 ZINC000014183630 539598038 /nfs/dbraw/zinc/59/80/38/539598038.db2.gz MNVQJKZGHJRHKX-HOTGVXAUSA-N 1 2 361.486 2.318 50 0 FEAALO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)CC(=O)N1CCOCC1 ZINC000014183630 539598043 /nfs/dbraw/zinc/59/80/43/539598043.db2.gz MNVQJKZGHJRHKX-HOTGVXAUSA-N 1 2 361.486 2.318 50 0 FEAALO O=C1N[C@@H](CC2CCCCC2)C(=O)N2CC[N@@H+](Cc3ccccc3F)C[C@H]12 ZINC000014745658 539604630 /nfs/dbraw/zinc/60/46/30/539604630.db2.gz OANSSQQNMPFGGE-RBUKOAKNSA-N 1 2 373.472 2.307 50 0 FEAALO O=C1N[C@@H](CC2CCCCC2)C(=O)N2CC[N@H+](Cc3ccccc3F)C[C@H]12 ZINC000014745658 539604632 /nfs/dbraw/zinc/60/46/32/539604632.db2.gz OANSSQQNMPFGGE-RBUKOAKNSA-N 1 2 373.472 2.307 50 0 FEAALO C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[N@H+](C)Cc1ccco1 ZINC000015306648 539615203 /nfs/dbraw/zinc/61/52/03/539615203.db2.gz JITNPYFWNNRYBK-SNVBAGLBSA-N 1 2 369.343 2.272 50 0 FEAALO C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[N@@H+](C)Cc1ccco1 ZINC000015306648 539615206 /nfs/dbraw/zinc/61/52/06/539615206.db2.gz JITNPYFWNNRYBK-SNVBAGLBSA-N 1 2 369.343 2.272 50 0 FEAALO CC[NH+]1CCN(C(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)CC1 ZINC000015675258 539621539 /nfs/dbraw/zinc/62/15/39/539621539.db2.gz HEOUYAAXBVHTNZ-UHFFFAOYSA-N 1 2 374.510 2.271 50 0 FEAALO Cc1ccc2[nH+]c(COC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cn2c1 ZINC000016209878 539628957 /nfs/dbraw/zinc/62/89/57/539628957.db2.gz JKGWOQFFLCDHSR-UHFFFAOYSA-N 1 2 373.434 2.250 50 0 FEAALO Cc1noc(C)c1S(=O)(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000017522172 539642070 /nfs/dbraw/zinc/64/20/70/539642070.db2.gz YNFMGNFWTSLAPR-AWEZNQCLSA-N 1 2 364.402 2.232 50 0 FEAALO O=C(NCC[NH+]1CCOCC1)c1csc2nc(-c3ccccc3)cn12 ZINC000019221160 539653723 /nfs/dbraw/zinc/65/37/23/539653723.db2.gz IJUDCXDMIVHWDC-UHFFFAOYSA-N 1 2 356.451 2.125 50 0 FEAALO COc1ccc(C[NH+]2CCN(C(=O)COc3ccccc3)CC2)c(OC)c1 ZINC000019552357 539659899 /nfs/dbraw/zinc/65/98/99/539659899.db2.gz HBUICVUPDDICTJ-UHFFFAOYSA-N 1 2 370.449 2.427 50 0 FEAALO COc1ccccc1-n1cc(CN2CCC[C@@H]([NH+]3CCOCC3)C2)cn1 ZINC000019607647 539664568 /nfs/dbraw/zinc/66/45/68/539664568.db2.gz MHSIVGJYRPMRKH-GOSISDBHSA-N 1 2 356.470 2.178 50 0 FEAALO CCOC(=O)N1CC[NH+](C[C@H](O)COc2c(C)cc(C)cc2C)CC1 ZINC000019867175 539670856 /nfs/dbraw/zinc/67/08/56/539670856.db2.gz OBLWGWFEQVVMQU-KRWDZBQOSA-N 1 2 350.459 2.126 50 0 FEAALO c1coc(-c2nnc(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)o2)c1 ZINC000022186610 539691867 /nfs/dbraw/zinc/69/18/67/539691867.db2.gz NTTOGJWJQLDRLJ-UHFFFAOYSA-N 1 2 368.393 2.376 50 0 FEAALO O=C(C[NH+]1CCN(Cc2cc(-c3cccs3)on2)CC1)N1CCCC1 ZINC000022787616 539699792 /nfs/dbraw/zinc/69/97/92/539699792.db2.gz MAHSTWFOEDNRRI-UHFFFAOYSA-N 1 2 360.483 2.143 50 0 FEAALO Cc1ccc(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000023442175 539714731 /nfs/dbraw/zinc/71/47/31/539714731.db2.gz BPGJCVKIUKNXKO-UHFFFAOYSA-N 1 2 369.440 2.208 50 0 FEAALO Cc1ccc(C(=O)CCC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000023641031 539717841 /nfs/dbraw/zinc/71/78/41/539717841.db2.gz IDSVYGKSBDMTBA-OAHLLOKOSA-N 1 2 350.484 2.343 50 0 FEAALO Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cc1C ZINC000023732226 539719007 /nfs/dbraw/zinc/71/90/07/539719007.db2.gz RMVXQDMYRWGHLW-HXUWFJFHSA-N 1 2 374.506 2.343 50 0 FEAALO c1ccc([C@H](C[NH+]2CCOCC2)Nc2nnnn2-c2ccccc2)cc1 ZINC000023845531 539721873 /nfs/dbraw/zinc/72/18/73/539721873.db2.gz KMMKCXPGHXBSSS-SFHVURJKSA-N 1 2 350.426 2.148 50 0 FEAALO Cc1ccccc1C(=O)NCCC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000025528368 539762125 /nfs/dbraw/zinc/76/21/25/539762125.db2.gz VKLAUQPNPGDXSN-UHFFFAOYSA-N 1 2 350.422 2.122 50 0 FEAALO O=S(=O)(NCc1ccc(N2CCCC2)[nH+]c1)c1cc(F)cc(F)c1 ZINC000028041043 539824575 /nfs/dbraw/zinc/82/45/75/539824575.db2.gz IGKMMKBJIKVRTC-UHFFFAOYSA-N 1 2 353.394 2.439 50 0 FEAALO COc1cc(OC)cc([C@H](NC(=O)c2ccccn2)c2[nH+]ccn2C)c1 ZINC000029130522 539844021 /nfs/dbraw/zinc/84/40/21/539844021.db2.gz RSSNWYFKBWLHHA-KRWDZBQOSA-N 1 2 352.394 2.352 50 0 FEAALO C[C@@H](C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)n1cnc2ccccc21 ZINC000030636668 539887807 /nfs/dbraw/zinc/88/78/07/539887807.db2.gz AHXGBJOWLBJCKB-HNNXBMFYSA-N 1 2 365.437 2.145 50 0 FEAALO O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)c1ccc2[nH]cnc2c1 ZINC000030690216 539889158 /nfs/dbraw/zinc/88/91/58/539889158.db2.gz KEOVNCGQFQTOFM-LJQANCHMSA-N 1 2 350.422 2.366 50 0 FEAALO Cc1nn(C[C@@H](C)C(=O)NCCCn2cc[nH+]c2)c(C)c1Br ZINC000032501812 539941715 /nfs/dbraw/zinc/94/17/15/539941715.db2.gz JRQMQLLYLBIHFX-LLVKDONJSA-N 1 2 368.279 2.302 50 0 FEAALO O=C(CN1c2ccccc2CCCC1=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000033249605 539972174 /nfs/dbraw/zinc/97/21/74/539972174.db2.gz SVTVSHWMFGLMPQ-UHFFFAOYSA-N 1 2 364.449 2.100 50 0 FEAALO O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000033238062 539972350 /nfs/dbraw/zinc/97/23/50/539972350.db2.gz RANZVKBWCZPTHE-GOSISDBHSA-N 1 2 357.841 2.383 50 0 FEAALO COc1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1C[NH+]1CCOCC1 ZINC000035684102 539984217 /nfs/dbraw/zinc/98/42/17/539984217.db2.gz VQPWSHFWDBSYKE-UHFFFAOYSA-N 1 2 368.437 2.309 50 0 FEAALO O=S(=O)(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(F)cc1 ZINC000040030628 540004366 /nfs/dbraw/zinc/00/43/66/540004366.db2.gz XYAVALMSQJLNTD-QGZVFWFLSA-N 1 2 364.442 2.005 50 0 FEAALO O=S(=O)(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(F)cc1 ZINC000040030628 540004367 /nfs/dbraw/zinc/00/43/67/540004367.db2.gz XYAVALMSQJLNTD-QGZVFWFLSA-N 1 2 364.442 2.005 50 0 FEAALO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ncnc3ccccc32)CC1 ZINC000040060988 540005106 /nfs/dbraw/zinc/00/51/06/540005106.db2.gz UBTGCTLBUUBZMZ-INIZCTEOSA-N 1 2 353.470 2.153 50 0 FEAALO Cn1nc([C@@H]2CCC[N@H+](Cc3ccncc3F)C2)n(-c2ccccc2)c1=O ZINC000067869291 541522777 /nfs/dbraw/zinc/52/27/77/541522777.db2.gz ORRMIKKMCCEFSL-MRXNPFEDSA-N 1 2 367.428 2.485 50 0 FEAALO Cn1nc([C@@H]2CCC[N@@H+](Cc3ccncc3F)C2)n(-c2ccccc2)c1=O ZINC000067869291 541522779 /nfs/dbraw/zinc/52/27/79/541522779.db2.gz ORRMIKKMCCEFSL-MRXNPFEDSA-N 1 2 367.428 2.485 50 0 FEAALO CN(Cc1[nH]cc[nH+]1)C(=O)c1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000072138933 541786406 /nfs/dbraw/zinc/78/64/06/541786406.db2.gz XDWOOYWDSXBNPE-UHFFFAOYSA-N 1 2 364.331 2.341 50 0 FEAALO CCOC(=O)N1CCn2nc(CN(C)Cc3c[nH+]c4ccccn34)cc2C1 ZINC000072150736 541789513 /nfs/dbraw/zinc/78/95/13/541789513.db2.gz HCPXCVRDDHNGOH-UHFFFAOYSA-N 1 2 368.441 2.135 50 0 FEAALO Cc1nc(C[N@@H+]2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)no1 ZINC000072409653 541806901 /nfs/dbraw/zinc/80/69/01/541806901.db2.gz ZWTXJTOJMNVHKW-IBGZPJMESA-N 1 2 355.442 2.178 50 0 FEAALO Cc1nc(C[N@H+]2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)no1 ZINC000072409653 541806902 /nfs/dbraw/zinc/80/69/02/541806902.db2.gz ZWTXJTOJMNVHKW-IBGZPJMESA-N 1 2 355.442 2.178 50 0 FEAALO C[C@@H](Cc1cnccn1)NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000299771092 203761372 /nfs/dbraw/zinc/76/13/72/203761372.db2.gz SCNLGGIHDUOBPF-HNNXBMFYSA-N 1 2 355.442 2.062 50 0 FEAALO Cc1ccn(-c2cc(NCCNC(=O)Nc3ccc(F)cc3F)[nH+]cn2)n1 ZINC000072442055 541815075 /nfs/dbraw/zinc/81/50/75/541815075.db2.gz MPPWEEPIUSREHV-UHFFFAOYSA-N 1 2 373.367 2.483 50 0 FEAALO Cc1cc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c(=O)n(C)c1C ZINC000072433516 541813505 /nfs/dbraw/zinc/81/35/05/541813505.db2.gz IFROMYOUYWMMQL-UHFFFAOYSA-N 1 2 357.429 2.099 50 0 FEAALO CSc1nnc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000072442261 541814851 /nfs/dbraw/zinc/81/48/51/541814851.db2.gz MULVTLWHRIHYNB-UHFFFAOYSA-N 1 2 350.469 2.345 50 0 FEAALO Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCCN(C(=O)c2cc[nH]c2)C1 ZINC000072479330 541821778 /nfs/dbraw/zinc/82/17/78/541821778.db2.gz QZZGZHIQOPKSDS-MRXNPFEDSA-N 1 2 356.474 2.149 50 0 FEAALO Cc1[nH]ccc1C(=O)N1CCC[C@H](c2nnc(C[NH+]3CCCC3)n2C)C1 ZINC000072481503 541822536 /nfs/dbraw/zinc/82/25/36/541822536.db2.gz PBORVXPAUDCPNU-HNNXBMFYSA-N 1 2 356.474 2.067 50 0 FEAALO CNc1nc2c(c(C(=O)N3CCCC3)n1)C[N@H+](C[C@H](C)C(F)(F)F)CC2 ZINC000072475290 541819718 /nfs/dbraw/zinc/81/97/18/541819718.db2.gz NZPLHIPPZXPCHC-NSHDSACASA-N 1 2 371.407 2.311 50 0 FEAALO CNc1nc2c(c(C(=O)N3CCCC3)n1)C[N@@H+](C[C@H](C)C(F)(F)F)CC2 ZINC000072475290 541819721 /nfs/dbraw/zinc/81/97/21/541819721.db2.gz NZPLHIPPZXPCHC-NSHDSACASA-N 1 2 371.407 2.311 50 0 FEAALO COc1ccc(C(=O)c2c[nH]c(C(=O)NCCCn3cc[nH+]c3)c2)cc1 ZINC000004024693 204118630 /nfs/dbraw/zinc/11/86/30/204118630.db2.gz ZKWZHROMNPJLCY-UHFFFAOYSA-N 1 2 352.394 2.271 50 0 FEAALO COc1cc(S(=O)(=O)NCCCn2cc[nH+]c2)ccc1Br ZINC000008132552 204318906 /nfs/dbraw/zinc/31/89/06/204318906.db2.gz YCSZRIQUWQDQCL-UHFFFAOYSA-N 1 2 374.260 2.023 50 0 FEAALO COc1cccc(C[N@H+](C)[C@@H](C)C(=O)NC(=O)NC2CCCC2)c1OC ZINC000008533850 204334082 /nfs/dbraw/zinc/33/40/82/204334082.db2.gz HYBQDJHLOMITNH-ZDUSSCGKSA-N 1 2 363.458 2.293 50 0 FEAALO COc1cccc(C[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC2CCCC2)c1OC ZINC000008533850 204334085 /nfs/dbraw/zinc/33/40/85/204334085.db2.gz HYBQDJHLOMITNH-ZDUSSCGKSA-N 1 2 363.458 2.293 50 0 FEAALO COc1ccc(C[N@H+](C)CC(=O)NC(=O)NCc2ccccc2)cc1F ZINC000009833993 204383835 /nfs/dbraw/zinc/38/38/35/204383835.db2.gz BIDVZKXTNPPMNL-UHFFFAOYSA-N 1 2 359.401 2.292 50 0 FEAALO COc1ccc(C[N@@H+](C)CC(=O)NC(=O)NCc2ccccc2)cc1F ZINC000009833993 204383839 /nfs/dbraw/zinc/38/38/39/204383839.db2.gz BIDVZKXTNPPMNL-UHFFFAOYSA-N 1 2 359.401 2.292 50 0 FEAALO O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000035827679 204998349 /nfs/dbraw/zinc/99/83/49/204998349.db2.gz SLDJIZYGAIUIKI-UHFFFAOYSA-N 1 2 365.886 2.284 50 0 FEAALO CCOc1cc(S(=O)(=O)N2CC[NH+](CC)CC2)c(OCC)cc1C ZINC000035986644 204999443 /nfs/dbraw/zinc/99/94/43/204999443.db2.gz FLTUMHMSJCNWKQ-UHFFFAOYSA-N 1 2 356.488 2.119 50 0 FEAALO CC[C@H](C)[C@H]1[NH2+]C2(CCN(C(=S)NC(C)C)CC2)N(CC2CC2)C1=O ZINC000036029833 205002255 /nfs/dbraw/zinc/00/22/55/205002255.db2.gz DXCRLKIMXCMRGQ-GOEBONIOSA-N 1 2 366.575 2.318 50 0 FEAALO CCc1noc([C@H](C)N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)n1 ZINC000036396371 205014272 /nfs/dbraw/zinc/01/42/72/205014272.db2.gz YIIULLBBZDSGGY-AWEZNQCLSA-N 1 2 358.442 2.282 50 0 FEAALO CNC(=O)c1nn(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c(=O)c2ccccc21 ZINC000036390335 205015027 /nfs/dbraw/zinc/01/50/27/205015027.db2.gz MELYFEZGWMFMAG-WMLDXEAASA-N 1 2 354.454 2.368 50 0 FEAALO CNC(=O)c1nn(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c(=O)c2ccccc21 ZINC000036390335 205015032 /nfs/dbraw/zinc/01/50/32/205015032.db2.gz MELYFEZGWMFMAG-WMLDXEAASA-N 1 2 354.454 2.368 50 0 FEAALO C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000040122103 205058910 /nfs/dbraw/zinc/05/89/10/205058910.db2.gz TYTDZXFQFWFDRR-WBVHZDCISA-N 1 2 358.486 2.241 50 0 FEAALO CC(C)(C)OC(=O)N1CC[NH+](CCNC(=O)NC2CCCCC2)CC1 ZINC000044456722 205109696 /nfs/dbraw/zinc/10/96/96/205109696.db2.gz UKDLIIDIBKYWIW-UHFFFAOYSA-N 1 2 354.495 2.171 50 0 FEAALO CCOC(=O)c1cc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)on1 ZINC000043220531 205101902 /nfs/dbraw/zinc/10/19/02/205101902.db2.gz WRMOPCAPINIZMD-UHFFFAOYSA-N 1 2 353.419 2.340 50 0 FEAALO Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000043948666 205105107 /nfs/dbraw/zinc/10/51/07/205105107.db2.gz LFTAFURTKCJYLZ-QFBILLFUSA-N 1 2 372.494 2.305 50 0 FEAALO COc1ccc(/C=C/C(=O)Nc2cnc(-n3cc[nH+]c3)nc2)cc1OC ZINC000085555529 205171826 /nfs/dbraw/zinc/17/18/26/205171826.db2.gz MWGGHMKCAZTJAK-GQCTYLIASA-N 1 2 351.366 2.331 50 0 FEAALO COc1c(C)c[nH+]c(CNC(=O)Cn2ccc(=O)c3ccccc32)c1C ZINC000050447528 205178151 /nfs/dbraw/zinc/17/81/51/205178151.db2.gz FHWRPIPMVCHYQP-UHFFFAOYSA-N 1 2 351.406 2.338 50 0 FEAALO C[NH+]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)on2)CC1 ZINC000055005043 205204204 /nfs/dbraw/zinc/20/42/04/205204204.db2.gz 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O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1ccnc(OCC2CC2)c1 ZINC000245171739 132376645 /nfs/dbraw/zinc/37/66/45/132376645.db2.gz XSXBERZBALMIJB-UHFFFAOYSA-N 1 2 368.437 2.032 50 0 FEAALO Cn1ccc(C(=O)N2CCC(c3[nH+]ccn3Cc3cscn3)CC2)n1 ZINC000091562689 542812608 /nfs/dbraw/zinc/81/26/08/542812608.db2.gz GQPJTIHOOKCKET-UHFFFAOYSA-N 1 2 356.455 2.141 50 0 FEAALO CC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1cc(C(C)(C)C)n[nH]1)CC2 ZINC000091736815 542821858 /nfs/dbraw/zinc/82/18/58/542821858.db2.gz LYRNRRFOOMFYDG-UHFFFAOYSA-N 1 2 370.501 2.326 50 0 FEAALO CC(=O)N1CCc2nc[nH]c2C12CC[NH+](Cc1cc(C(C)(C)C)n[nH]1)CC2 ZINC000091736815 542821861 /nfs/dbraw/zinc/82/18/61/542821861.db2.gz LYRNRRFOOMFYDG-UHFFFAOYSA-N 1 2 370.501 2.326 50 0 FEAALO Nc1ccc(C(=O)N2CCC(c3[nH+]ccn3Cc3ccncc3)CC2)cn1 ZINC000092028514 542838569 /nfs/dbraw/zinc/83/85/69/542838569.db2.gz MZZJBFNRXFBKIQ-UHFFFAOYSA-N 1 2 362.437 2.323 50 0 FEAALO COc1ccc2c(c1)C[C@@H](C(=O)N1CC[NH+](Cc3ccco3)CC1)CO2 ZINC000092019943 542838819 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CC[N@H+](CCCNC(=O)c1ccc(OCC(N)=O)cc1)c1ccccc1 ZINC000009157856 204356872 /nfs/dbraw/zinc/35/68/72/204356872.db2.gz ZOZLPNGVFMZJHN-UHFFFAOYSA-N 1 2 355.438 2.197 50 0 FEAALO CC[N@@H+](CCCNC(=O)c1ccc(OCC(N)=O)cc1)c1ccccc1 ZINC000009157856 204356874 /nfs/dbraw/zinc/35/68/74/204356874.db2.gz ZOZLPNGVFMZJHN-UHFFFAOYSA-N 1 2 355.438 2.197 50 0 FEAALO COc1ccccc1[C@@H]1[NH+]=C(NCc2ccco2)Nc2nc(C)cc(=O)n21 ZINC000009426322 204366944 /nfs/dbraw/zinc/36/69/44/204366944.db2.gz PDXKHIVULZTOQZ-QGZVFWFLSA-N 1 2 365.393 2.272 50 0 FEAALO Cc1cc(NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)cc[nH+]1 ZINC000010165305 204391280 /nfs/dbraw/zinc/39/12/80/204391280.db2.gz ZKBCKQGOIZNRIQ-UHFFFAOYSA-N 1 2 374.447 2.254 50 0 FEAALO CC(=O)N1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000010297279 204393539 /nfs/dbraw/zinc/39/35/39/204393539.db2.gz WHIZLBIXUAWWKT-GFCCVEGCSA-N 1 2 373.375 2.466 50 0 FEAALO CC(=O)N1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000010297279 204393544 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C[N@H+]1CCc2nc(NC(=O)Cc3cnn(-c4ccccc4)c3)sc2C1 ZINC000027989095 539822114 /nfs/dbraw/zinc/82/21/14/539822114.db2.gz YJVMGVPZDYHDKT-UHFFFAOYSA-N 1 2 353.451 2.498 50 0 FEAALO C[C@H](C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)n1cnc2ccccc21 ZINC000030636671 539887614 /nfs/dbraw/zinc/88/76/14/539887614.db2.gz AHXGBJOWLBJCKB-OAHLLOKOSA-N 1 2 365.437 2.145 50 0 FEAALO Cc1oc(-c2ccno2)cc1S(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000032971329 539961652 /nfs/dbraw/zinc/96/16/52/539961652.db2.gz GCPQQQXSWNWIFT-UHFFFAOYSA-N 1 2 374.422 2.149 50 0 FEAALO CC(C)(CNC(=O)c1ccccc1NC(=O)c1ccco1)[NH+]1CCOCC1 ZINC000032971793 539961697 /nfs/dbraw/zinc/96/16/97/539961697.db2.gz SIDACSSBTAVHAZ-UHFFFAOYSA-N 1 2 371.437 2.373 50 0 FEAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Nc1ccccc1F ZINC000035307946 539979802 /nfs/dbraw/zinc/97/98/02/539979802.db2.gz HMONGVNOGFEVQD-UHFFFAOYSA-N 1 2 356.401 2.296 50 0 FEAALO C[C@H]1Cc2ccccc2N1C(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000035361651 539981547 /nfs/dbraw/zinc/98/15/47/539981547.db2.gz 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ZINC000072436207 541814441 /nfs/dbraw/zinc/81/44/41/541814441.db2.gz FMJLNBHBJLWKEQ-MRXNPFEDSA-N 1 2 368.485 2.216 50 0 FEAALO Cc1nc(CN(C)Cc2cc3n(n2)CC[N@H+](Cc2cccs2)C3)no1 ZINC000072438741 541814923 /nfs/dbraw/zinc/81/49/23/541814923.db2.gz OYHJWCAUKHCGTH-UHFFFAOYSA-N 1 2 358.471 2.284 50 0 FEAALO Cc1nc(CN(C)Cc2cc3n(n2)CC[N@@H+](Cc2cccs2)C3)no1 ZINC000072438741 541814926 /nfs/dbraw/zinc/81/49/26/541814926.db2.gz OYHJWCAUKHCGTH-UHFFFAOYSA-N 1 2 358.471 2.284 50 0 FEAALO CNc1nc2c(c(C(=O)N3CCCC3)n1)C[N@H+](C[C@@H](C)C(F)(F)F)CC2 ZINC000072475291 541819611 /nfs/dbraw/zinc/81/96/11/541819611.db2.gz NZPLHIPPZXPCHC-LLVKDONJSA-N 1 2 371.407 2.311 50 0 FEAALO CNc1nc2c(c(C(=O)N3CCCC3)n1)C[N@@H+](C[C@@H](C)C(F)(F)F)CC2 ZINC000072475291 541819613 /nfs/dbraw/zinc/81/96/13/541819613.db2.gz NZPLHIPPZXPCHC-LLVKDONJSA-N 1 2 371.407 2.311 50 0 FEAALO Cc1cc(=O)oc2c(C)c(OCC(=O)NCCCn3cc[nH+]c3)ccc12 ZINC000005207351 204197155 /nfs/dbraw/zinc/19/71/55/204197155.db2.gz IJNKNNWEIOGNDU-UHFFFAOYSA-N 1 2 355.394 2.192 50 0 FEAALO Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@H](C)C(=O)NC[C@@H]2CCCO2)c(C)c1 ZINC000008726993 204340780 /nfs/dbraw/zinc/34/07/80/204340780.db2.gz KURYDKSHFOPIOT-SJORKVTESA-N 1 2 361.486 2.166 50 0 FEAALO Cc1cc(C)c(NC(=O)C[N@H+](C)[C@H](C)C(=O)NC[C@@H]2CCCO2)c(C)c1 ZINC000008726993 204340785 /nfs/dbraw/zinc/34/07/85/204340785.db2.gz KURYDKSHFOPIOT-SJORKVTESA-N 1 2 361.486 2.166 50 0 FEAALO COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000038415209 205040185 /nfs/dbraw/zinc/04/01/85/205040185.db2.gz UESKBKPABYUXNC-UHFFFAOYSA-N 1 2 367.449 2.150 50 0 FEAALO COc1cccc(NC(=O)CN(C)C(=O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000038415209 205040190 /nfs/dbraw/zinc/04/01/90/205040190.db2.gz UESKBKPABYUXNC-UHFFFAOYSA-N 1 2 367.449 2.150 50 0 FEAALO CC(C)n1cnnc1SCC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000039983569 205049554 /nfs/dbraw/zinc/04/95/54/205049554.db2.gz BRDXMHJOOJQMKU-INIZCTEOSA-N 1 2 359.499 2.466 50 0 FEAALO CC(C)n1cnnc1SCC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000039983569 205049560 /nfs/dbraw/zinc/04/95/60/205049560.db2.gz BRDXMHJOOJQMKU-INIZCTEOSA-N 1 2 359.499 2.466 50 0 FEAALO C[C@@H](C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1)n1cc[nH+]c1 ZINC000040154584 205060856 /nfs/dbraw/zinc/06/08/56/205060856.db2.gz IUPGRRQTLVLVAX-ZDUSSCGKSA-N 1 2 359.405 2.396 50 0 FEAALO O=C(COc1coc(C[NH+]2CCSCC2)cc1=O)Nc1ccccc1 ZINC000040268251 205064427 /nfs/dbraw/zinc/06/44/27/205064427.db2.gz OCDWUMBBUYQUQS-UHFFFAOYSA-N 1 2 360.435 2.206 50 0 FEAALO O=C(CSCc1cccnc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000041777463 205092268 /nfs/dbraw/zinc/09/22/68/205092268.db2.gz MCGRXAMFDYLFOM-UHFFFAOYSA-N 1 2 371.506 2.463 50 0 FEAALO Cc1cc(NCCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)[nH+]c2ccccc12 ZINC000042108186 205094357 /nfs/dbraw/zinc/09/43/57/205094357.db2.gz NWUJGCFTFAIJAW-HUUCEWRRSA-N 1 2 363.483 2.394 50 0 FEAALO CC(C)[C@@H](NC(=O)C[N@H+](C)CC(=O)NCC(F)(F)F)c1cccs1 ZINC000047749254 205148988 /nfs/dbraw/zinc/14/89/88/205148988.db2.gz ZLOYKHRPPPYVSP-CQSZACIVSA-N 1 2 365.421 2.172 50 0 FEAALO CC(C)[C@@H](NC(=O)C[N@@H+](C)CC(=O)NCC(F)(F)F)c1cccs1 ZINC000047749254 205148992 /nfs/dbraw/zinc/14/89/92/205148992.db2.gz ZLOYKHRPPPYVSP-CQSZACIVSA-N 1 2 365.421 2.172 50 0 FEAALO Cc1cc(Br)c(S(=O)(=O)N2CC[NH+](C)CC2)cc1Cl ZINC000054363119 205200790 /nfs/dbraw/zinc/20/07/90/205200790.db2.gz AQYISFZMLSLSNF-UHFFFAOYSA-N 1 2 367.696 2.347 50 0 FEAALO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000058218179 205264449 /nfs/dbraw/zinc/26/44/49/205264449.db2.gz ZIYIYVJFKMWIST-OAHLLOKOSA-N 1 2 370.428 2.419 50 0 FEAALO CCn1c(C[N@@H+]2CCCn3nc(C(=O)OC)cc3C2)nc2ccccc21 ZINC000065451422 205352600 /nfs/dbraw/zinc/35/26/00/205352600.db2.gz DXOBIEAREQVCGV-UHFFFAOYSA-N 1 2 353.426 2.445 50 0 FEAALO CCn1c(C[N@H+]2CCCn3nc(C(=O)OC)cc3C2)nc2ccccc21 ZINC000065451422 205352604 /nfs/dbraw/zinc/35/26/04/205352604.db2.gz DXOBIEAREQVCGV-UHFFFAOYSA-N 1 2 353.426 2.445 50 0 FEAALO CSCCc1c(-c2ccccc2)ncn1CCC[N@@H+]1CCNC(=O)C1 ZINC000065373339 205340962 /nfs/dbraw/zinc/34/09/62/205340962.db2.gz AQFSGIQCTUFOSH-UHFFFAOYSA-N 1 2 358.511 2.278 50 0 FEAALO CSCCc1c(-c2ccccc2)ncn1CCC[N@H+]1CCNC(=O)C1 ZINC000065373339 205340967 /nfs/dbraw/zinc/34/09/67/205340967.db2.gz AQFSGIQCTUFOSH-UHFFFAOYSA-N 1 2 358.511 2.278 50 0 FEAALO CC[C@H](C)c1ccccc1OCC(=O)N1CCC2(CC1)C(=O)NCC[N@H+]2C ZINC000067559865 205374530 /nfs/dbraw/zinc/37/45/30/205374530.db2.gz DIQIKCYLKQELCR-INIZCTEOSA-N 1 2 373.497 2.002 50 0 FEAALO CC[C@H](C)c1ccccc1OCC(=O)N1CCC2(CC1)C(=O)NCC[N@@H+]2C ZINC000067559865 205374534 /nfs/dbraw/zinc/37/45/34/205374534.db2.gz DIQIKCYLKQELCR-INIZCTEOSA-N 1 2 373.497 2.002 50 0 FEAALO CCCCC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(C)[nH+]2)CC1 ZINC000067622344 205378413 /nfs/dbraw/zinc/37/84/13/205378413.db2.gz OHXYFJABNJGJNT-UHFFFAOYSA-N 1 2 356.474 2.426 50 0 FEAALO Cc1nc(C[N@H+]2CCC[C@H](c3nn(C)c(=O)n3-c3ccccc3)C2)co1 ZINC000067713390 205384969 /nfs/dbraw/zinc/38/49/69/205384969.db2.gz SYVGNEKYJSRKLV-HNNXBMFYSA-N 1 2 353.426 2.247 50 0 FEAALO Cc1nc(C[N@@H+]2CCC[C@H](c3nn(C)c(=O)n3-c3ccccc3)C2)co1 ZINC000067713390 205384974 /nfs/dbraw/zinc/38/49/74/205384974.db2.gz SYVGNEKYJSRKLV-HNNXBMFYSA-N 1 2 353.426 2.247 50 0 FEAALO COC(=O)[C@@H]1Cc2[nH]c[nH+]c2CN1C(=O)c1oc2cc(OC)ccc2c1C ZINC000067872832 205398624 /nfs/dbraw/zinc/39/86/24/205398624.db2.gz AAMTVDQWSNNOFD-HNNXBMFYSA-N 1 2 369.377 2.213 50 0 FEAALO COC(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1C(=O)c1oc2cc(OC)ccc2c1C ZINC000067872832 205398628 /nfs/dbraw/zinc/39/86/28/205398628.db2.gz AAMTVDQWSNNOFD-HNNXBMFYSA-N 1 2 369.377 2.213 50 0 FEAALO Cc1c[nH]c(C[N@@H+](C)C[C@]2(O)CCCN(CCCc3ccccc3)C2=O)n1 ZINC000067878190 205399604 /nfs/dbraw/zinc/39/96/04/205399604.db2.gz XFBKSZXAFCESPC-OAQYLSRUSA-N 1 2 370.497 2.136 50 0 FEAALO Cc1c[nH]c(C[N@H+](C)C[C@]2(O)CCCN(CCCc3ccccc3)C2=O)n1 ZINC000067878190 205399607 /nfs/dbraw/zinc/39/96/07/205399607.db2.gz XFBKSZXAFCESPC-OAQYLSRUSA-N 1 2 370.497 2.136 50 0 FEAALO Nc1ccc(C(=O)N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)cn1 ZINC000091907222 205703616 /nfs/dbraw/zinc/70/36/16/205703616.db2.gz ZZDBSCFZEKEWRO-UHFFFAOYSA-N 1 2 362.437 2.323 50 0 FEAALO Cc1nonc1CC(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095531029 205786889 /nfs/dbraw/zinc/78/68/89/205786889.db2.gz WDYPVTLZXQHQLD-CYBMUJFWSA-N 1 2 372.454 2.028 50 0 FEAALO C[C@H](NC(=O)Cn1c2ccccc2[nH+]c1NCCO)c1ccc(F)cc1 ZINC000049874858 206095111 /nfs/dbraw/zinc/09/51/11/206095111.db2.gz ATDNFOFJTYJWNY-ZDUSSCGKSA-N 1 2 356.401 2.457 50 0 FEAALO COc1c2c(cc3c1[C@@H](C1C(=O)OC(C)(C)OC1=O)[N@H+](C)CC3)OCO2 ZINC000002117491 206152743 /nfs/dbraw/zinc/15/27/43/206152743.db2.gz LNUFPDIUXMKJKQ-ZDUSSCGKSA-N 1 2 363.366 2.032 50 0 biogenic FEAALO COc1c2c(cc3c1[C@@H](C1C(=O)OC(C)(C)OC1=O)[N@@H+](C)CC3)OCO2 ZINC000002117491 206152746 /nfs/dbraw/zinc/15/27/46/206152746.db2.gz LNUFPDIUXMKJKQ-ZDUSSCGKSA-N 1 2 363.366 2.032 50 0 biogenic FEAALO C[NH+]1CCN(S(=O)(=O)c2ccc(NCCCc3ccccc3)nc2)CC1 ZINC000008988273 206220657 /nfs/dbraw/zinc/22/06/57/206220657.db2.gz GGMZLVSFHBWGTP-UHFFFAOYSA-N 1 2 374.510 2.062 50 0 FEAALO Cn1cccc1[C@H](CNS(=O)(=O)c1cc(F)ccc1F)[NH+]1CCCC1 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/nfs/dbraw/zinc/67/41/98/539674198.db2.gz BEJKKVPZYVZBEN-FUHWJXTLSA-N 1 2 356.426 2.117 50 0 FEAALO CCn1cc(C[N@H+]2C[C@H]3OC(=O)N(Cc4ccccc4OC)[C@H]3C2)cn1 ZINC000020418697 539674201 /nfs/dbraw/zinc/67/42/01/539674201.db2.gz BEJKKVPZYVZBEN-FUHWJXTLSA-N 1 2 356.426 2.117 50 0 FEAALO O=C(CN1CC[NH+](Cc2ccccn2)CC1)N[C@H]1CCCc2ccccc21 ZINC000022921861 539702263 /nfs/dbraw/zinc/70/22/63/539702263.db2.gz VUXMOSZTSBFNRH-NRFANRHFSA-N 1 2 364.493 2.393 50 0 FEAALO CCCNC(=O)C(=O)NC[C@H](c1ccco1)[N@@H+]1CCc2ccccc2C1 ZINC000022907280 539702694 /nfs/dbraw/zinc/70/26/94/539702694.db2.gz OCKXDFUNLSQWBR-QGZVFWFLSA-N 1 2 355.438 2.021 50 0 FEAALO CCCNC(=O)C(=O)NC[C@H](c1ccco1)[N@H+]1CCc2ccccc2C1 ZINC000022907280 539702697 /nfs/dbraw/zinc/70/26/97/539702697.db2.gz OCKXDFUNLSQWBR-QGZVFWFLSA-N 1 2 355.438 2.021 50 0 FEAALO COc1ccc(C)cc1C[NH+]1CCN([C@@H](C)C(=O)Nc2cc(C)no2)CC1 ZINC000022911516 539702702 /nfs/dbraw/zinc/70/27/02/539702702.db2.gz AIJIGUWQASNWEP-INIZCTEOSA-N 1 2 372.469 2.445 50 0 FEAALO O=C(NCC[NH+]1CCOCC1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000022517952 539695976 /nfs/dbraw/zinc/69/59/76/539695976.db2.gz SKTVSGZRUITEQK-UHFFFAOYSA-N 1 2 366.421 2.194 50 0 FEAALO Cc1c(CN2CC[NH+](CC(=O)NC3CC3)CC2)noc1-c1ccc(F)cc1 ZINC000022805373 539699767 /nfs/dbraw/zinc/69/97/67/539699767.db2.gz VOJTXXNEOHILPF-UHFFFAOYSA-N 1 2 372.444 2.185 50 0 FEAALO Cc1cccc(NC(=O)CN2CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC2)c1C ZINC000023248988 539710397 /nfs/dbraw/zinc/71/03/97/539710397.db2.gz FLBUZYGDDRTZBL-KRWDZBQOSA-N 1 2 374.529 2.163 50 0 FEAALO O=C(c1n[nH]c2ccccc21)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000023642245 539717475 /nfs/dbraw/zinc/71/74/75/539717475.db2.gz IZKNXXBKYRIJMO-UHFFFAOYSA-N 1 2 350.422 2.400 50 0 FEAALO O=C(COc1ccccc1F)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000024001879 539723602 /nfs/dbraw/zinc/72/36/02/539723602.db2.gz CURUGXFSTITFKS-UHFFFAOYSA-N 1 2 372.396 2.278 50 0 FEAALO c1ccc([C@@H](C[NH+]2CCOCC2)Nc2nnnn2-c2ccccc2)cc1 ZINC000023845527 539721448 /nfs/dbraw/zinc/72/14/48/539721448.db2.gz KMMKCXPGHXBSSS-GOSISDBHSA-N 1 2 350.426 2.148 50 0 FEAALO c1csc([C@H](CNc2nnnn2-c2ccccc2)[NH+]2CCOCC2)c1 ZINC000023865045 539721597 /nfs/dbraw/zinc/72/15/97/539721597.db2.gz DPWKFYQVVUYGLR-HNNXBMFYSA-N 1 2 356.455 2.209 50 0 FEAALO CCOC(=O)c1c(C)[nH]c(C(=O)N2CC[NH+](Cc3ccccn3)CC2)c1C ZINC000024574385 539734757 /nfs/dbraw/zinc/73/47/57/539734757.db2.gz JGRLHMYREMCQBD-UHFFFAOYSA-N 1 2 370.453 2.161 50 0 FEAALO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000024477519 539732638 /nfs/dbraw/zinc/73/26/38/539732638.db2.gz LZTXIPDHKVPRPO-HNNXBMFYSA-N 1 2 354.454 2.252 50 0 FEAALO CCNC(=O)C[N@@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000025355133 539758096 /nfs/dbraw/zinc/75/80/96/539758096.db2.gz LXRYXYYAOURNEK-UHFFFAOYSA-N 1 2 364.799 2.402 50 0 FEAALO CCNC(=O)C[N@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000025355133 539758101 /nfs/dbraw/zinc/75/81/01/539758101.db2.gz LXRYXYYAOURNEK-UHFFFAOYSA-N 1 2 364.799 2.402 50 0 FEAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)N1CCc2ccccc2C1 ZINC000026386935 539785806 /nfs/dbraw/zinc/78/58/06/539785806.db2.gz WFZGAADTEKRATA-UHFFFAOYSA-N 1 2 352.438 2.186 50 0 FEAALO NC(=O)c1cc2c(nc1NC[C@@H]1CCCN(c3cccc[nH+]3)C1)CCC2 ZINC000032561074 539943643 /nfs/dbraw/zinc/94/36/43/539943643.db2.gz BNULYCFUFCGTDT-AWEZNQCLSA-N 1 2 351.454 2.393 50 0 FEAALO C[C@@H](NC(=O)C1CCCC1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000048324626 540357125 /nfs/dbraw/zinc/35/71/25/540357125.db2.gz BHANPKLRJLWEEM-MRXNPFEDSA-N 1 2 368.481 2.285 50 0 FEAALO CC[C@@H](CO)N(Cc1cccnc1)C(=O)CCc1cn2ccccc2[nH+]1 ZINC000055035847 540622637 /nfs/dbraw/zinc/62/26/37/540622637.db2.gz NHPZYPVGGJKNTI-SFHVURJKSA-N 1 2 352.438 2.462 50 0 FEAALO COc1c2c(cc3c1[C@@H](c1nnnn1C1CCCC1)[N@H+](C)CC3)OCO2 ZINC000002130557 209393762 /nfs/dbraw/zinc/39/37/62/209393762.db2.gz HVLXXZUBUPSSFW-HNNXBMFYSA-N 1 2 357.414 2.103 50 0 biogenic FEAALO COc1c2c(cc3c1[C@@H](c1nnnn1C1CCCC1)[N@@H+](C)CC3)OCO2 ZINC000002130557 209393768 /nfs/dbraw/zinc/39/37/68/209393768.db2.gz HVLXXZUBUPSSFW-HNNXBMFYSA-N 1 2 357.414 2.103 50 0 biogenic FEAALO COc1ccc(OC)c(C[N@H+](CC(=O)NCc2ccccn2)C2CC2)c1 ZINC000058179380 540831466 /nfs/dbraw/zinc/83/14/66/540831466.db2.gz BPEIWAKWURRJGH-UHFFFAOYSA-N 1 2 355.438 2.380 50 0 FEAALO COc1ccc(OC)c(C[N@@H+](CC(=O)NCc2ccccn2)C2CC2)c1 ZINC000058179380 540831470 /nfs/dbraw/zinc/83/14/70/540831470.db2.gz BPEIWAKWURRJGH-UHFFFAOYSA-N 1 2 355.438 2.380 50 0 FEAALO O[C@H](CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccc(F)cc1 ZINC000058381415 540840967 /nfs/dbraw/zinc/84/09/67/540840967.db2.gz USSSGWUGYSCAJT-GOSISDBHSA-N 1 2 358.413 2.406 50 0 FEAALO COc1cccc(OCC(=O)N2CC[NH+](Cc3c(C)noc3C)CC2)c1 ZINC000044448678 209316614 /nfs/dbraw/zinc/31/66/14/209316614.db2.gz FIVCYRIRFIAKMW-UHFFFAOYSA-N 1 2 359.426 2.023 50 0 FEAALO Cc1cc(C)cc(C(=O)N[C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000065212814 541229149 /nfs/dbraw/zinc/22/91/49/541229149.db2.gz CUVFODBXAZQUSV-QGZVFWFLSA-N 1 2 366.465 2.166 50 0 FEAALO CCCOc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccnn3CC)C2)cn1 ZINC000065267546 541231469 /nfs/dbraw/zinc/23/14/69/541231469.db2.gz LWGSZVUYEJKSBS-MRXNPFEDSA-N 1 2 357.458 2.091 50 0 FEAALO CCCOc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ccnn3CC)C2)cn1 ZINC000065267546 541231471 /nfs/dbraw/zinc/23/14/71/541231471.db2.gz LWGSZVUYEJKSBS-MRXNPFEDSA-N 1 2 357.458 2.091 50 0 FEAALO CCN(CC)c1[nH+]cnc2c1cnn2CC(=O)NCc1ccccc1F ZINC000065295983 541234028 /nfs/dbraw/zinc/23/40/28/541234028.db2.gz WQMOMRFZZBEQOJ-UHFFFAOYSA-N 1 2 356.405 2.128 50 0 FEAALO C[N@H+](CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](O)C1)Cc1cccnc1 ZINC000065499684 541241327 /nfs/dbraw/zinc/24/13/27/541241327.db2.gz KMHDSQLGCUVIPK-RBUKOAKNSA-N 1 2 357.429 2.030 50 0 FEAALO C[N@@H+](CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](O)C1)Cc1cccnc1 ZINC000065499684 541241328 /nfs/dbraw/zinc/24/13/28/541241328.db2.gz KMHDSQLGCUVIPK-RBUKOAKNSA-N 1 2 357.429 2.030 50 0 FEAALO O=C(Nc1cccc(F)c1)N1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000067622832 541491484 /nfs/dbraw/zinc/49/14/84/541491484.db2.gz MZNGRFYKEMTQHL-UHFFFAOYSA-N 1 2 367.388 2.156 50 0 FEAALO Cc1nnc(C[N@@H+](C)C[C@]2(O)CCCN(CCC3CCCCC3)C2=O)o1 ZINC000067851862 541520361 /nfs/dbraw/zinc/52/03/61/541520361.db2.gz MDTRWRVWAIXAMD-LJQANCHMSA-N 1 2 364.490 2.134 50 0 FEAALO Cc1nnc(C[N@H+](C)C[C@]2(O)CCCN(CCC3CCCCC3)C2=O)o1 ZINC000067851862 541520364 /nfs/dbraw/zinc/52/03/64/541520364.db2.gz MDTRWRVWAIXAMD-LJQANCHMSA-N 1 2 364.490 2.134 50 0 FEAALO Cc1ccc(C2(O)CCN(c3cc(-n4cccn4)nc(C)[nH+]3)CC2)nc1 ZINC000067852380 541520677 /nfs/dbraw/zinc/52/06/77/541520677.db2.gz FUAMSNPXQNPTFW-UHFFFAOYSA-N 1 2 350.426 2.162 50 0 FEAALO COc1c[nH]c(C(=O)NCc2ccc[nH+]c2N(C)C2CCCCC2)cc1=O ZINC000067934200 541529877 /nfs/dbraw/zinc/52/98/77/541529877.db2.gz RTYGYNDZYNUCRX-UHFFFAOYSA-N 1 2 370.453 2.477 50 0 FEAALO O=C(NCc1ccc2ccccc2n1)c1cc(C[NH+]2CCC(O)CC2)on1 ZINC000067965537 541533520 /nfs/dbraw/zinc/53/35/20/541533520.db2.gz MVTCFVRHTZPFAF-UHFFFAOYSA-N 1 2 366.421 2.110 50 0 FEAALO CC(C)[N@@H+]1CCCn2nc(C(=O)NCc3n[nH]c4c3CCCCC4)cc2C1 ZINC000067982105 541535431 /nfs/dbraw/zinc/53/54/31/541535431.db2.gz PVMHGDAPXXMOPI-UHFFFAOYSA-N 1 2 370.501 2.419 50 0 FEAALO CC(C)[N@H+]1CCCn2nc(C(=O)NCc3n[nH]c4c3CCCCC4)cc2C1 ZINC000067982105 541535435 /nfs/dbraw/zinc/53/54/35/541535435.db2.gz PVMHGDAPXXMOPI-UHFFFAOYSA-N 1 2 370.501 2.419 50 0 FEAALO CN(Cc1[nH+]ccn1Cc1ccccc1)S(=O)(=O)NCc1ccccc1 ZINC000071760391 541771358 /nfs/dbraw/zinc/77/13/58/541771358.db2.gz FGBHGVXQUAWRIH-UHFFFAOYSA-N 1 2 370.478 2.398 50 0 FEAALO CC(C)NC(=O)CCNC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000071925841 541775736 /nfs/dbraw/zinc/77/57/36/541775736.db2.gz VIDPSMVZASQMIY-UHFFFAOYSA-N 1 2 361.490 2.032 50 0 FEAALO CCC(CC)N(CC)C(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1cccs1 ZINC000072143399 541787456 /nfs/dbraw/zinc/78/74/56/541787456.db2.gz QEWHMNPVUXTFPM-MRXNPFEDSA-N 1 2 351.516 2.476 50 0 FEAALO CCC(CC)N(CC)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccs1 ZINC000072143399 541787460 /nfs/dbraw/zinc/78/74/60/541787460.db2.gz QEWHMNPVUXTFPM-MRXNPFEDSA-N 1 2 351.516 2.476 50 0 FEAALO O=C(Cc1c[nH+]c2ccccn12)N1CCC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000072165917 541794070 /nfs/dbraw/zinc/79/40/70/541794070.db2.gz SXRGLQAFIONZHL-NRFANRHFSA-N 1 2 360.417 2.389 50 0 FEAALO C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000072308876 541798035 /nfs/dbraw/zinc/79/80/35/541798035.db2.gz RPXGURFANZPGCM-OAHLLOKOSA-N 1 2 374.529 2.193 50 0 FEAALO Cn1c(C[NH+](C)C)nnc1[C@H]1CCCN(C(=O)c2ccc3c(c2)CCC3)C1 ZINC000072428301 541811929 /nfs/dbraw/zinc/81/19/29/541811929.db2.gz BBJDRIBCEWQEMK-SFHVURJKSA-N 1 2 367.497 2.385 50 0 FEAALO Cc1ccn(-c2cc(NCCNC(=O)Nc3ccc(F)cc3)[nH+]cn2)n1 ZINC000072442193 541815214 /nfs/dbraw/zinc/81/52/14/541815214.db2.gz MDHXMLMTHVCBBI-UHFFFAOYSA-N 1 2 355.377 2.343 50 0 FEAALO Cc1ccc(-n2cnnn2)c(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000096166726 209130091 /nfs/dbraw/zinc/13/00/91/209130091.db2.gz KSIFDXHXYJRNCF-MRXNPFEDSA-N 1 2 368.445 2.404 50 0 FEAALO COc1cccc(C[NH+]2CCN(CC(=O)Nc3c(C)cccc3C)CC2)n1 ZINC000075611020 542192449 /nfs/dbraw/zinc/19/24/49/542192449.db2.gz MJDVMAMZUMWFTP-UHFFFAOYSA-N 1 2 368.481 2.463 50 0 FEAALO CCn1c[nH+]cc1CNC(=O)Nc1cc(NC(=O)COC)ccc1Cl ZINC000299762814 206635603 /nfs/dbraw/zinc/63/56/03/206635603.db2.gz BIDRTMOLHWZVMW-UHFFFAOYSA-N 1 2 365.821 2.463 50 0 FEAALO CC1=C(C(N)=O)[C@H](c2ccc(F)cc2)N2NC(c3ccc(F)cc3)=NC2=[NH+]1 ZINC000004279573 207010381 /nfs/dbraw/zinc/01/03/81/207010381.db2.gz HIOSLKKWFNXVDX-INIZCTEOSA-N 1 2 367.359 2.402 50 0 FEAALO CCOc1ccccc1NC(=O)Cn1c2ccccc2[nH+]c1NCCO ZINC000005185114 207085596 /nfs/dbraw/zinc/08/55/96/207085596.db2.gz IFPCRMAVYQGRGJ-UHFFFAOYSA-N 1 2 354.410 2.478 50 0 FEAALO Cc1c(C)n(Cc2ccccc2)c2ncn(CC[NH+]3CCOCC3)c(=N)c12 ZINC000006663345 207153269 /nfs/dbraw/zinc/15/32/69/207153269.db2.gz OOUJGKGKBMDDOF-UHFFFAOYSA-N 1 2 365.481 2.315 50 0 FEAALO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@H](C)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000006875112 207174084 /nfs/dbraw/zinc/17/40/84/207174084.db2.gz FBDIQZPASWZVEA-IXDOHACOSA-N 1 2 361.486 2.198 50 0 FEAALO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@H](C)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000006875112 207174089 /nfs/dbraw/zinc/17/40/89/207174089.db2.gz FBDIQZPASWZVEA-IXDOHACOSA-N 1 2 361.486 2.198 50 0 FEAALO COc1ccc(C[N@H+](C)CC(=O)Nc2oc(C)c3c2c(=O)[nH]nc3C)cc1 ZINC000011288567 207310844 /nfs/dbraw/zinc/31/08/44/207310844.db2.gz YSZDZMGFNYXTNM-UHFFFAOYSA-N 1 2 370.409 2.212 50 0 FEAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2oc(C)c3c2c(=O)[nH]nc3C)cc1 ZINC000011288567 207310848 /nfs/dbraw/zinc/31/08/48/207310848.db2.gz YSZDZMGFNYXTNM-UHFFFAOYSA-N 1 2 370.409 2.212 50 0 FEAALO C[C@H](NC(=O)c1ccco1)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000032842300 208049767 /nfs/dbraw/zinc/04/97/67/208049767.db2.gz HDPFMDCLQOLTOD-LRDDRELGSA-N 1 2 370.384 2.176 50 0 FEAALO CSc1ncc(Cl)c(C(=O)N2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000030563400 208002311 /nfs/dbraw/zinc/00/23/11/208002311.db2.gz QLGXHDHCWMETLA-UHFFFAOYSA-N 1 2 363.874 2.205 50 0 FEAALO Cc1cc(CN2CC[NH+](Cc3cc(=O)oc4c(C)c(O)ccc34)CC2)no1 ZINC000032759807 208040126 /nfs/dbraw/zinc/04/01/26/208040126.db2.gz UVVZKYPKWBRAEG-UHFFFAOYSA-N 1 2 369.421 2.421 50 0 FEAALO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1COc2ccccc2C1 ZINC000032902377 208054803 /nfs/dbraw/zinc/05/48/03/208054803.db2.gz VCBAJLXZOJWSLR-PMACEKPBSA-N 1 2 366.461 2.255 50 0 FEAALO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1COc2ccccc2C1 ZINC000032902377 208054812 /nfs/dbraw/zinc/05/48/12/208054812.db2.gz VCBAJLXZOJWSLR-PMACEKPBSA-N 1 2 366.461 2.255 50 0 FEAALO O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000034888575 208113928 /nfs/dbraw/zinc/11/39/28/208113928.db2.gz MUTKGAHLYPEZJF-UHFFFAOYSA-N 1 2 357.479 2.471 50 0 FEAALO O=S(=O)(c1ccc2c(c1)CCC2)N1CC[NH+](CCc2ccccn2)CC1 ZINC000035310583 208120973 /nfs/dbraw/zinc/12/09/73/208120973.db2.gz KRYGSFHUPKBJSY-UHFFFAOYSA-N 1 2 371.506 2.119 50 0 FEAALO CC[C@H](C)CN1C(=O)[C@H](C)[NH2+]C12CCN(C(=O)c1ccc(OC)cc1)CC2 ZINC000036026279 208140524 /nfs/dbraw/zinc/14/05/24/208140524.db2.gz YJRUIMRVUZOOCW-HOTGVXAUSA-N 1 2 373.497 2.494 50 0 FEAALO CC(C)C(=O)N1CCC[C@H](C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000042497600 208294214 /nfs/dbraw/zinc/29/42/14/208294214.db2.gz MUZKBZIKDXSOGU-KRWDZBQOSA-N 1 2 358.486 2.193 50 0 FEAALO COc1ccccc1COC[C@@H](O)Cn1c2ccccc2[nH+]c1NCCO ZINC000046342380 208363079 /nfs/dbraw/zinc/36/30/79/208363079.db2.gz XMQZPWIMRAEAAF-INIZCTEOSA-N 1 2 371.437 2.027 50 0 FEAALO O=C(NCc1cn2ccccc2n1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000048147378 208389147 /nfs/dbraw/zinc/38/91/47/208389147.db2.gz GHNCELFSOBUFBD-UHFFFAOYSA-N 1 2 365.437 2.488 50 0 FEAALO O=C(NCCC[NH+]1CCOCC1)c1ccccc1C(=O)c1ccccc1 ZINC000048248950 208393063 /nfs/dbraw/zinc/39/30/63/208393063.db2.gz QVCKFARABOKYKJ-UHFFFAOYSA-N 1 2 352.434 2.370 50 0 FEAALO CC(=O)N1CCc2c([nH+]c(N(C)C)nc2NCc2c(F)cccc2F)C1 ZINC000077406313 542378572 /nfs/dbraw/zinc/37/85/72/542378572.db2.gz FKFGMPANOYDUSP-UHFFFAOYSA-N 1 2 361.396 2.338 50 0 FEAALO C[NH+](C)Cc1nc(C(=O)N2CC[C@@H](Cc3cccc(CO)c3)C2)cs1 ZINC000091906605 209004672 /nfs/dbraw/zinc/00/46/72/209004672.db2.gz 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C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000095398187 209047288 /nfs/dbraw/zinc/04/72/88/209047288.db2.gz CEEGAHNDEIEWDA-HUUCEWRRSA-N 1 2 366.483 2.095 50 0 FEAALO COc1cc2c(c(CNc3cnn(CC[NH+]4CCOCC4)c3)c1)O[C@H](C)C2 ZINC000095445305 209050849 /nfs/dbraw/zinc/05/08/49/209050849.db2.gz DAILUCAEKCASQP-OAHLLOKOSA-N 1 2 372.469 2.159 50 0 FEAALO C[C@H](c1cccc(F)c1)[NH+]1CCN(S(=O)(=O)C[C@H]2CCCO2)CC1 ZINC000095462083 209054382 /nfs/dbraw/zinc/05/43/82/209054382.db2.gz UJEGDSWZGQGJCN-RHSMWYFYSA-N 1 2 356.463 2.013 50 0 FEAALO O=C(c1cc(Cl)c2c(c1)OCCO2)N1CC[NH+](Cc2ccncc2)CC1 ZINC000057291382 221086143 /nfs/dbraw/zinc/08/61/43/221086143.db2.gz KDBXTPWLTAEHKW-UHFFFAOYSA-N 1 2 373.840 2.464 50 0 FEAALO CC[C@H]1CCCC[N@@H+]1CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000078739209 542478364 /nfs/dbraw/zinc/47/83/64/542478364.db2.gz FZRGCUFXGQGMEI-DOTOQJQBSA-N 1 2 356.532 2.209 50 0 FEAALO CC[C@H]1CCCC[N@H+]1CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000078739209 542478367 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Cc1cc(C)c2[nH]c(C[NH+]3CCN(C(=O)c4ccc[nH]4)CC3)cc(=O)c2c1 ZINC000091808515 542826972 /nfs/dbraw/zinc/82/69/72/542826972.db2.gz HNGPSEYGJRMMSC-UHFFFAOYSA-N 1 2 364.449 2.431 50 0 FEAALO O=S(=O)(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCCCCC1 ZINC000048286697 136123175 /nfs/dbraw/zinc/12/31/75/136123175.db2.gz VITQKWVOEDFTDP-UHFFFAOYSA-N 1 2 352.504 2.282 50 0 FEAALO C[C@H]1CN(c2ccc(CNC(=O)c3cc(-c4ccco4)n[nH]3)c[nH+]2)CCO1 ZINC000048287413 136123207 /nfs/dbraw/zinc/12/32/07/136123207.db2.gz LRNAGHMXJOUVOO-ZDUSSCGKSA-N 1 2 367.409 2.220 50 0 FEAALO O=S(=O)(NC1CCN(c2cccc[nH+]2)CC1)c1c(F)cccc1F ZINC000056060247 136127493 /nfs/dbraw/zinc/12/74/93/136127493.db2.gz ZUJZABAXVOUHPZ-UHFFFAOYSA-N 1 2 353.394 2.307 50 0 FEAALO COc1ccccc1N1CC[NH+](CC(=O)NCCOc2ccccc2)CC1 ZINC000057364809 136128844 /nfs/dbraw/zinc/12/88/44/136128844.db2.gz QORXKRGZLKNZSW-UHFFFAOYSA-N 1 2 369.465 2.012 50 0 FEAALO CS(=O)(=O)c1ccc(C(=O)NCc2ccc[nH+]c2N2CCCCC2)cc1 ZINC000058197644 136130914 /nfs/dbraw/zinc/13/09/14/136130914.db2.gz 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ZINC000097528090 543012967 /nfs/dbraw/zinc/01/29/67/543012967.db2.gz HFIFNPICHMGQOX-HNNXBMFYSA-N 1 2 363.483 2.138 50 0 FEAALO Cc1cccc(CN2CC[N@H+](Cc3cccc4c3OCO4)C[C@H]2CCO)n1 ZINC000104406787 543131182 /nfs/dbraw/zinc/13/11/82/543131182.db2.gz ISCQZBHOBMLANI-LJQANCHMSA-N 1 2 369.465 2.188 50 0 FEAALO Cc1cccc(CN2CC[N@@H+](Cc3cccc4c3OCO4)C[C@H]2CCO)n1 ZINC000104406787 543131184 /nfs/dbraw/zinc/13/11/84/543131184.db2.gz ISCQZBHOBMLANI-LJQANCHMSA-N 1 2 369.465 2.188 50 0 FEAALO CC(C)[C@H](C(=O)Nc1ccc(N2CCNC2=O)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000106142547 543207803 /nfs/dbraw/zinc/20/78/03/543207803.db2.gz SBYYRAXEEKWANK-IIDMSEBBSA-N 1 2 374.485 2.289 50 0 FEAALO NC(=O)Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(F)cc2Cl)C1 ZINC000095527526 209077177 /nfs/dbraw/zinc/07/71/77/209077177.db2.gz PIPYQSIHBZUJFZ-LLVKDONJSA-N 1 2 364.808 2.181 50 0 FEAALO COc1cccnc1-c1cccc(C(=O)N(CCO)Cc2[nH+]ccn2C)c1 ZINC000426503192 263610332 /nfs/dbraw/zinc/61/03/32/263610332.db2.gz ZHSUFLFVLOEFBL-UHFFFAOYSA-N 1 2 366.421 2.125 50 0 FEAALO CCOc1cc(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)ccc1OC ZINC000193267886 328366263 /nfs/dbraw/zinc/36/62/63/328366263.db2.gz ANLBQOLKKBCOMC-QGZVFWFLSA-N 1 2 362.470 2.354 50 0 FEAALO CCOc1cc(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)ccc1OC ZINC000193267886 328366264 /nfs/dbraw/zinc/36/62/64/328366264.db2.gz ANLBQOLKKBCOMC-QGZVFWFLSA-N 1 2 362.470 2.354 50 0 FEAALO Cn1cnnc1NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000163041804 327041195 /nfs/dbraw/zinc/04/11/95/327041195.db2.gz JPMGEDCXIPULBM-ZDUSSCGKSA-N 1 2 364.247 2.353 50 0 FEAALO O=C(N[C@H]1CCCOC1)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000171617122 327148399 /nfs/dbraw/zinc/14/83/99/327148399.db2.gz SNDDJGPZZJHWMO-HNNXBMFYSA-N 1 2 367.877 2.225 50 0 FEAALO CNc1cc(N2CCC[C@@H]2CNC(=O)N2Cc3ccccc3C2)nc[nH+]1 ZINC000173429577 327256369 /nfs/dbraw/zinc/25/63/69/327256369.db2.gz IGQVZRRSAUGMRW-MRXNPFEDSA-N 1 2 352.442 2.213 50 0 FEAALO CNc1cc(N2CCC[C@@H]2CNC(=O)N2Cc3ccccc3C2)[nH+]cn1 ZINC000173429577 327256370 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2.209 50 0 FEAALO CC[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)CC1 ZINC000003215640 539360996 /nfs/dbraw/zinc/36/09/96/539360996.db2.gz ADDQJSIZTDUBSD-UHFFFAOYSA-N 1 2 373.478 2.265 50 0 FEAALO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CC(=O)N(c3ccccc3)C1=O)CC2 ZINC000007265991 539453135 /nfs/dbraw/zinc/45/31/35/539453135.db2.gz VCRHDTQTXNMENC-KRWDZBQOSA-N 1 2 366.417 2.394 50 0 FEAALO COc1cc2c(cc1OC)C[N@H+]([C@H]1CC(=O)N(c3ccccc3)C1=O)CC2 ZINC000007265991 539453139 /nfs/dbraw/zinc/45/31/39/539453139.db2.gz VCRHDTQTXNMENC-KRWDZBQOSA-N 1 2 366.417 2.394 50 0 FEAALO COc1ccc(C[N@H+](C)CC(=O)N2CC(=O)Nc3ccccc32)cc1F ZINC000008308501 539483512 /nfs/dbraw/zinc/48/35/12/539483512.db2.gz GVGWKFGOYDSFSH-UHFFFAOYSA-N 1 2 357.385 2.251 50 0 FEAALO COc1ccc(C[N@@H+](C)CC(=O)N2CC(=O)Nc3ccccc32)cc1F ZINC000008308501 539483515 /nfs/dbraw/zinc/48/35/15/539483515.db2.gz GVGWKFGOYDSFSH-UHFFFAOYSA-N 1 2 357.385 2.251 50 0 FEAALO CCc1ccccc1Oc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000012537268 539563316 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CCOC(=O)c1c(CC)c(C)sc1NC(=O)C[NH+]1CCC(O)CC1 ZINC000016338427 539630237 /nfs/dbraw/zinc/63/02/37/539630237.db2.gz XPLBTWFTUFCBEQ-UHFFFAOYSA-N 1 2 354.472 2.191 50 0 FEAALO Cc1cccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccccc4O)CC3)C2=O)c1 ZINC000018136351 539646960 /nfs/dbraw/zinc/64/69/60/539646960.db2.gz QGRRFBIVBXOUJZ-SFHVURJKSA-N 1 2 365.433 2.155 50 0 FEAALO CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000018217891 539647752 /nfs/dbraw/zinc/64/77/52/539647752.db2.gz AVUVKXXSPFXYRO-IBGZPJMESA-N 1 2 372.513 2.451 50 0 FEAALO O=C(NCc1ccc2c(c1)OCO2)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000019334259 539655254 /nfs/dbraw/zinc/65/52/54/539655254.db2.gz VPKCNSCCNRHHOX-UHFFFAOYSA-N 1 2 354.406 2.178 50 0 FEAALO O=S(=O)(c1ccc(F)c(F)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020522592 539676017 /nfs/dbraw/zinc/67/60/17/539676017.db2.gz MGXPZLKCNFWIJJ-UHFFFAOYSA-N 1 2 352.406 2.471 50 0 FEAALO CCOC(=O)c1c2c(sc1NC(=O)CC[NH+]1CCOCC1)CCCC2 ZINC000019854919 539670260 /nfs/dbraw/zinc/67/02/60/539670260.db2.gz GLZRHPLUUTZKCQ-UHFFFAOYSA-N 1 2 366.483 2.464 50 0 FEAALO Cc1c(C)c(Br)cc(C(=O)N2CC[NH+](CCO)CC2)c1C ZINC000020109841 539672630 /nfs/dbraw/zinc/67/26/30/539672630.db2.gz HRTSAEKVAYCKBR-UHFFFAOYSA-N 1 2 355.276 2.124 50 0 FEAALO C[C@@H](Oc1ccc(F)cc1)C(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000021786933 539687253 /nfs/dbraw/zinc/68/72/53/539687253.db2.gz UQMUUMHAXNSOSG-MRXNPFEDSA-N 1 2 357.429 2.375 50 0 FEAALO OCCc1cn(C[C@H]2CCCN(c3cc(C(F)(F)F)cc[nH+]3)C2)nn1 ZINC000023339769 539712020 /nfs/dbraw/zinc/71/20/20/539712020.db2.gz SHIZXYCDQKLTEJ-LBPRGKRZSA-N 1 2 355.364 2.143 50 0 FEAALO Cc1cc(C)cc(C(=O)NCC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c1 ZINC000023608858 539716442 /nfs/dbraw/zinc/71/64/42/539716442.db2.gz QEGGQTSSBKCZFU-UHFFFAOYSA-N 1 2 358.467 2.116 50 0 FEAALO Cc1cc(C)cc(C(=O)NCC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c1 ZINC000023608858 539716445 /nfs/dbraw/zinc/71/64/45/539716445.db2.gz QEGGQTSSBKCZFU-UHFFFAOYSA-N 1 2 358.467 2.116 50 0 FEAALO O=C(c1ccc2[nH]cnc2c1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 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COc1cc2nc(C[N@@H+](C)CCOc3ccccc3)[nH]c(=O)c2cc1OC ZINC000008708448 207241896 /nfs/dbraw/zinc/24/18/96/207241896.db2.gz DNDDYTYJTWXZMX-UHFFFAOYSA-N 1 2 369.421 2.451 50 0 FEAALO COc1cccc([C@@H](NS(=O)(=O)c2ccccc2)c2[nH+]ccn2C)c1 ZINC000009317642 207266111 /nfs/dbraw/zinc/26/61/11/207266111.db2.gz YFKLKPKXULPTIP-QGZVFWFLSA-N 1 2 357.435 2.497 50 0 FEAALO COc1ccccc1[C@H](NS(=O)(=O)c1ccccc1)c1[nH+]ccn1C ZINC000009338301 207267162 /nfs/dbraw/zinc/26/71/62/207267162.db2.gz SMKFYFIYXTYGQA-KRWDZBQOSA-N 1 2 357.435 2.497 50 0 FEAALO Cc1[nH+]c2ccccc2n1Cc1cc(C(=O)N[C@H](C)c2ccncn2)[nH]n1 ZINC000011816768 207323663 /nfs/dbraw/zinc/32/36/63/207323663.db2.gz SBWJMBDPTCGBCV-GFCCVEGCSA-N 1 2 361.409 2.397 50 0 FEAALO CC(=O)N1CCC(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)CC1 ZINC000012530078 207386756 /nfs/dbraw/zinc/38/67/56/207386756.db2.gz OCQDJPMLEVHPGK-KRWDZBQOSA-N 1 2 358.417 2.023 50 0 FEAALO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)C1 ZINC000033387901 208090366 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MRCPEALVXQVOJO-GOSISDBHSA-N 1 2 373.453 2.352 50 0 FEAALO C[NH+](C)Cc1cn(CC2CCN(C(=O)NC3CCCCCC3)CC2)nn1 ZINC000055153249 540631302 /nfs/dbraw/zinc/63/13/02/540631302.db2.gz NFXYLWUYWZLFMS-UHFFFAOYSA-N 1 2 362.522 2.484 50 0 FEAALO CC[NH+]1CCN(C(=O)c2coc(COc3cccc(F)c3F)n2)CC1 ZINC000055042265 540623597 /nfs/dbraw/zinc/62/35/97/540623597.db2.gz KAIAHVRFIOGKAE-UHFFFAOYSA-N 1 2 351.353 2.310 50 0 FEAALO COc1ccc(CN2C(=O)O[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]32)cc1OC ZINC000055370325 540649624 /nfs/dbraw/zinc/64/96/24/540649624.db2.gz ADDOBGSGSWVPGZ-QFBILLFUSA-N 1 2 369.421 2.304 50 0 FEAALO COc1ccc(CN2C(=O)O[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]32)cc1OC ZINC000055370325 540649627 /nfs/dbraw/zinc/64/96/27/540649627.db2.gz ADDOBGSGSWVPGZ-QFBILLFUSA-N 1 2 369.421 2.304 50 0 FEAALO O=C(NCc1ccc(N2CCCC[C@@H]2CCO)[nH+]c1)c1cc(C2CC2)n[nH]1 ZINC000058061740 540827994 /nfs/dbraw/zinc/82/79/94/540827994.db2.gz VCMWOKNUFIGMTD-MRXNPFEDSA-N 1 2 369.469 2.353 50 0 FEAALO O=C(CCn1cc[nH+]c1)NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000058306180 540838641 /nfs/dbraw/zinc/83/86/41/540838641.db2.gz UZGZIKUNYGGHJU-KRWDZBQOSA-N 1 2 362.861 2.116 50 0 FEAALO CNC(=O)c1nn(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c(=O)c2ccccc21 ZINC000125309753 209361663 /nfs/dbraw/zinc/36/16/63/209361663.db2.gz MELYFEZGWMFMAG-RHSMWYFYSA-N 1 2 354.454 2.368 50 0 FEAALO CNC(=O)c1nn(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c(=O)c2ccccc21 ZINC000125309753 209361664 /nfs/dbraw/zinc/36/16/64/209361664.db2.gz MELYFEZGWMFMAG-RHSMWYFYSA-N 1 2 354.454 2.368 50 0 FEAALO COC(=O)CNC(=O)c1cccc(OCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000058557668 540848828 /nfs/dbraw/zinc/84/88/28/540848828.db2.gz JFUXKKPILSCYOY-UHFFFAOYSA-N 1 2 353.378 2.125 50 0 FEAALO COc1cc(C(=O)N2CCC[N@H+](CC(=O)NC(C)(C)C)CC2)ccc1C ZINC000048354731 209331393 /nfs/dbraw/zinc/33/13/93/209331393.db2.gz LBCXAAOKGGOJPV-UHFFFAOYSA-N 1 2 361.486 2.066 50 0 FEAALO COc1cc(C(=O)N2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)ccc1C ZINC000048354731 209331397 /nfs/dbraw/zinc/33/13/97/209331397.db2.gz LBCXAAOKGGOJPV-UHFFFAOYSA-N 1 2 361.486 2.066 50 0 FEAALO Nc1nc2c(s1)[C@H](c1ccc(OCCn3cc[nH+]c3)cc1)CC(=O)NC2 ZINC000065462619 541239718 /nfs/dbraw/zinc/23/97/18/541239718.db2.gz BSXOCBGMWOIIIL-AWEZNQCLSA-N 1 2 369.450 2.153 50 0 FEAALO CCn1cc(C[NH+]2CCN(C(=O)CCc3ccccc3)CC2)ccc1=O ZINC000065285889 541232748 /nfs/dbraw/zinc/23/27/48/541232748.db2.gz YAPOJCVMYOEVCS-UHFFFAOYSA-N 1 2 353.466 2.145 50 0 FEAALO COc1ccccc1-c1noc(CCC(=O)NC[C@H](C)n2cc[nH+]c2)n1 ZINC000065407521 541237036 /nfs/dbraw/zinc/23/70/36/541237036.db2.gz FQDCWKKPBNKJKK-ZDUSSCGKSA-N 1 2 355.398 2.252 50 0 FEAALO CCCc1c[nH+]c(C)nc1N1CCCn2nc(C(=O)NC3CC3)cc2C1 ZINC000065527812 541244065 /nfs/dbraw/zinc/24/40/65/541244065.db2.gz MOSFCHYTHMIFBQ-UHFFFAOYSA-N 1 2 354.458 2.237 50 0 FEAALO NC(=O)c1cc2c([nH+]c1N1CCC[C@](CO)(Cc3ccccc3)C1)CCC2 ZINC000067846852 541519737 /nfs/dbraw/zinc/51/97/37/541519737.db2.gz SCVDHPLIJAELPS-QFIPXVFZSA-N 1 2 365.477 2.491 50 0 FEAALO COc1ccccc1NC(=O)C[NH+]1CCC(O)(c2ccc(C)cn2)CC1 ZINC000067869109 541522658 /nfs/dbraw/zinc/52/26/58/541522658.db2.gz NLFQGRQSSMLYIW-UHFFFAOYSA-N 1 2 355.438 2.321 50 0 FEAALO Cc1nnc(CN(C)C(=O)c2cc(C[N@H+](C)Cc3ccccc3)on2)o1 ZINC000067894545 541526815 /nfs/dbraw/zinc/52/68/15/541526815.db2.gz WGPUJKKKZVBDTE-UHFFFAOYSA-N 1 2 355.398 2.270 50 0 FEAALO Cc1nnc(CN(C)C(=O)c2cc(C[N@@H+](C)Cc3ccccc3)on2)o1 ZINC000067894545 541526816 /nfs/dbraw/zinc/52/68/16/541526816.db2.gz WGPUJKKKZVBDTE-UHFFFAOYSA-N 1 2 355.398 2.270 50 0 FEAALO CC(=O)N1C(=S)NC(=O)C1=Cc1cc2ccc(C)cc2[nH+]c1N(C)C ZINC000100717832 209215937 /nfs/dbraw/zinc/21/59/37/209215937.db2.gz RMGUPSBGOQRNHN-DHDCSXOGSA-N 1 2 354.435 2.213 50 0 FEAALO O=c1oc2ccccc2n1CCN1CCc2[nH+]c[nH]c2[C@@H]1c1ccccn1 ZINC000067954288 541532778 /nfs/dbraw/zinc/53/27/78/541532778.db2.gz AHSFMJUZTUAHSA-IBGZPJMESA-N 1 2 361.405 2.360 50 0 FEAALO CC[C@H]1C[N@H+](Cc2nc(CCOC)no2)CCC(=O)N1Cc1ccccc1 ZINC000071738880 541769585 /nfs/dbraw/zinc/76/95/85/541769585.db2.gz DECJYBILYLAEBB-KRWDZBQOSA-N 1 2 372.469 2.272 50 0 FEAALO CC[C@H]1C[N@@H+](Cc2nc(CCOC)no2)CCC(=O)N1Cc1ccccc1 ZINC000071738880 541769588 /nfs/dbraw/zinc/76/95/88/541769588.db2.gz DECJYBILYLAEBB-KRWDZBQOSA-N 1 2 372.469 2.272 50 0 FEAALO CC(C)(C)NC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2c1 ZINC000072126479 541784509 /nfs/dbraw/zinc/78/45/09/541784509.db2.gz RUEJWYMKPLCAQS-GOSISDBHSA-N 1 2 353.466 2.445 50 0 FEAALO CC(C)(C)NC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000072126479 541784510 /nfs/dbraw/zinc/78/45/10/541784510.db2.gz RUEJWYMKPLCAQS-GOSISDBHSA-N 1 2 353.466 2.445 50 0 FEAALO O=C(Cc1c[nH+]c2ccccn12)N1CCC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000072165918 541794195 /nfs/dbraw/zinc/79/41/95/541794195.db2.gz SXRGLQAFIONZHL-OAQYLSRUSA-N 1 2 360.417 2.389 50 0 FEAALO COc1ccc(C[N@@H+]2CCN(C(=O)c3ccccn3)C[C@@H]2CCO)cc1C ZINC000072410243 541807198 /nfs/dbraw/zinc/80/71/98/541807198.db2.gz YEQXSHOXTPJLAP-SFHVURJKSA-N 1 2 369.465 2.108 50 0 FEAALO COc1ccc(C[N@H+]2CCN(C(=O)c3ccccn3)C[C@@H]2CCO)cc1C ZINC000072410243 541807203 /nfs/dbraw/zinc/80/72/03/541807203.db2.gz YEQXSHOXTPJLAP-SFHVURJKSA-N 1 2 369.465 2.108 50 0 FEAALO COCc1cc(C[NH+]2CCC(C(=O)[O-])(n3cc[nH+]c3)CC2)ccc1OC ZINC000072430159 541812821 /nfs/dbraw/zinc/81/28/21/541812821.db2.gz LPHNECLUOVMCGH-UHFFFAOYSA-N 1 2 359.426 2.114 50 0 FEAALO Cn1cccc1C(=O)N1CCC[C@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 ZINC000072438874 541815334 /nfs/dbraw/zinc/81/53/34/541815334.db2.gz JXMPGSHJPGLILL-INIZCTEOSA-N 1 2 370.501 2.159 50 0 FEAALO COCc1noc(C[N@@H+]2CCC[C@@H](c3cc(N4CCCC4)nc(C)n3)C2)n1 ZINC000072453924 541816263 /nfs/dbraw/zinc/81/62/63/541816263.db2.gz HDDKMVCGRWSICY-OAHLLOKOSA-N 1 2 372.473 2.294 50 0 FEAALO COCc1noc(C[N@H+]2CCC[C@@H](c3cc(N4CCCC4)nc(C)n3)C2)n1 ZINC000072453924 541816267 /nfs/dbraw/zinc/81/62/67/541816267.db2.gz HDDKMVCGRWSICY-OAHLLOKOSA-N 1 2 372.473 2.294 50 0 FEAALO C[N@H+](Cc1cc2n(n1)CCCN(C(=O)N1CCCC1)C2)Cc1cccnc1 ZINC000072476620 541819790 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363.527 2.298 50 0 FEAALO COC(=O)CCC[NH+]1CCN(C(=O)c2cc3c(cc(C)cc3C)[nH]2)CC1 ZINC000075105497 542152748 /nfs/dbraw/zinc/15/27/48/542152748.db2.gz ZUNUTUCHMQESMB-UHFFFAOYSA-N 1 2 357.454 2.496 50 0 FEAALO CCOc1ccc(NC(=O)[C@@H]2CC(=O)NC(N3C[C@@H](C)C[C@H](C)C3)=[NH+]2)cc1 ZINC000004814152 207050589 /nfs/dbraw/zinc/05/05/89/207050589.db2.gz DKBFSGDYULSANX-ZQIUZPCESA-N 1 2 372.469 2.246 50 0 FEAALO O=C(NCCCn1cc[nH+]c1)/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC000006446370 207140102 /nfs/dbraw/zinc/14/01/02/207140102.db2.gz NEJJIKMXHSDIAX-NBVRZTHBSA-N 1 2 364.405 2.454 50 0 FEAALO CC(=O)Nc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000008274182 207227415 /nfs/dbraw/zinc/22/74/15/207227415.db2.gz JJQUZSDPWNDLOX-OAHLLOKOSA-N 1 2 367.453 2.189 50 0 FEAALO CS(=O)(=O)c1ccc(NC(=O)CSc2[nH+]cc3ccccn32)cc1 ZINC000008710173 207243236 /nfs/dbraw/zinc/24/32/36/207243236.db2.gz DWBJMANTKHXSTJ-UHFFFAOYSA-N 1 2 361.448 2.469 50 0 FEAALO Cc1sc2ncn(CC(=O)NCc3cn4ccccc4[nH+]3)c(=O)c2c1C ZINC000009318943 207265250 /nfs/dbraw/zinc/26/52/50/207265250.db2.gz VYBLZTPPPRRXAT-UHFFFAOYSA-N 1 2 367.434 2.039 50 0 FEAALO Cc1ccc(CNC(=O)C[C@H]2C(=O)NCC[N@H+]2Cc2ccccc2C)s1 ZINC000011998597 207333195 /nfs/dbraw/zinc/33/31/95/207333195.db2.gz DPNYQBVDHNOJKN-SFHVURJKSA-N 1 2 371.506 2.372 50 0 FEAALO Cc1ccc(CNC(=O)C[C@H]2C(=O)NCC[N@@H+]2Cc2ccccc2C)s1 ZINC000011998597 207333198 /nfs/dbraw/zinc/33/31/98/207333198.db2.gz DPNYQBVDHNOJKN-SFHVURJKSA-N 1 2 371.506 2.372 50 0 FEAALO COc1cc(-c2n[nH]cc2C[N@H+](C)Cc2nccn2C)cc(OC)c1OC ZINC000011819050 207324115 /nfs/dbraw/zinc/32/41/15/207324115.db2.gz BFWKHMFHUUBCMC-UHFFFAOYSA-N 1 2 371.441 2.468 50 0 FEAALO COc1cc(-c2n[nH]cc2C[N@@H+](C)Cc2nccn2C)cc(OC)c1OC ZINC000011819050 207324120 /nfs/dbraw/zinc/32/41/20/207324120.db2.gz BFWKHMFHUUBCMC-UHFFFAOYSA-N 1 2 371.441 2.468 50 0 FEAALO COc1cc(-c2n[nH]cc2CN(C)Cc2[nH+]ccn2C)cc(OC)c1OC ZINC000011819050 207324126 /nfs/dbraw/zinc/32/41/26/207324126.db2.gz BFWKHMFHUUBCMC-UHFFFAOYSA-N 1 2 371.441 2.468 50 0 FEAALO COc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCCCCCC1 ZINC000011843656 207325857 /nfs/dbraw/zinc/32/58/57/207325857.db2.gz YCCTVKJMLWCWOG-SFHVURJKSA-N 1 2 373.497 2.178 50 0 FEAALO COc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCCCCCC1 ZINC000011843656 207325861 /nfs/dbraw/zinc/32/58/61/207325861.db2.gz YCCTVKJMLWCWOG-SFHVURJKSA-N 1 2 373.497 2.178 50 0 FEAALO C[C@@H](CNC(=O)c1cnn(Cc2ccccc2Cl)c1)[NH+]1CCOCC1 ZINC000029961129 208000565 /nfs/dbraw/zinc/00/05/65/208000565.db2.gz CJQMOIMLHRVFFW-AWEZNQCLSA-N 1 2 362.861 2.035 50 0 FEAALO CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000032912131 208056515 /nfs/dbraw/zinc/05/65/15/208056515.db2.gz VQZHAGNBINSSIF-XJKSGUPXSA-N 1 2 362.861 2.496 50 0 FEAALO O=S(=O)(/C=C/c1ccccc1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000035515158 208128115 /nfs/dbraw/zinc/12/81/15/208128115.db2.gz CBZDGESFZSUQSV-RQZCQDPDSA-N 1 2 357.479 2.242 50 0 FEAALO CC[NH+]1CCN(S(=O)(=O)c2cc(C)c(C)cc2Br)CC1 ZINC000035986645 208139033 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COc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1OCC(=O)[O-] ZINC000215485513 548671558 /nfs/dbraw/zinc/67/15/58/548671558.db2.gz CFGOLARWSQXKLA-HXUWFJFHSA-N 1 2 362.470 2.466 50 0 FEAALO COc1ccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)cc1OCC(=O)[O-] ZINC000215485513 548671563 /nfs/dbraw/zinc/67/15/63/548671563.db2.gz CFGOLARWSQXKLA-HXUWFJFHSA-N 1 2 362.470 2.466 50 0 FEAALO COc1ccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cc1OCC(=O)[O-] ZINC000215485513 548671570 /nfs/dbraw/zinc/67/15/70/548671570.db2.gz CFGOLARWSQXKLA-HXUWFJFHSA-N 1 2 362.470 2.466 50 0 FEAALO COc1ccc([C@@H](NC(=O)C[NH+]2Cc3ccccc3C2)C2CC(O)C2)cn1 ZINC000220325025 548700026 /nfs/dbraw/zinc/70/00/26/548700026.db2.gz UEHQJUBCDDWOTK-WIXQSORDSA-N 1 2 367.449 2.034 50 0 FEAALO Cc1ccc(C)c(C[N@H+]2CCn3nc([C@H](O)c4nccn4C)cc3C2)c1 ZINC000221227924 548703607 /nfs/dbraw/zinc/70/36/07/548703607.db2.gz SHIIRDWNLIAUQR-IBGZPJMESA-N 1 2 351.454 2.331 50 0 FEAALO Cc1ccc(C)c(C[N@@H+]2CCn3nc([C@H](O)c4nccn4C)cc3C2)c1 ZINC000221227924 548703611 /nfs/dbraw/zinc/70/36/11/548703611.db2.gz SHIIRDWNLIAUQR-IBGZPJMESA-N 1 2 351.454 2.331 50 0 FEAALO CC[C@@H](Cn1cc[nH+]c1)NC(=O)C1CCN(C(=O)Cc2ccccc2)CC1 ZINC000223894214 548725770 /nfs/dbraw/zinc/72/57/70/548725770.db2.gz VIOTVZNDFCFEFF-IBGZPJMESA-N 1 2 368.481 2.259 50 0 FEAALO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(O[C@@H]2CCOC2)nc1 ZINC000225710534 548741986 /nfs/dbraw/zinc/74/19/86/548741986.db2.gz WDSKWWRTOIKDBZ-QGZVFWFLSA-N 1 2 368.437 2.175 50 0 FEAALO COC(=O)[C@H]1CC[C@H](C(=O)N2CCN(c3[nH]c4ccccc4[nH+]3)CC2)CC1 ZINC000240407396 548884081 /nfs/dbraw/zinc/88/40/81/548884081.db2.gz FLXAFJCXVWACEJ-SHTZXODSSA-N 1 2 370.453 2.191 50 0 FEAALO CC(C)[C@@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)c1[nH]cc[nH+]1 ZINC000241969586 548885850 /nfs/dbraw/zinc/88/58/50/548885850.db2.gz UXPGKPPYSHVILX-CQSZACIVSA-N 1 2 371.484 2.026 50 0 FEAALO CC(C)Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)nc(N)n1 ZINC000252492076 549668939 /nfs/dbraw/zinc/66/89/39/549668939.db2.gz MBVMDNNSYOJNEQ-GOSISDBHSA-N 1 2 353.470 2.386 50 0 FEAALO CC(C)Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)nc(N)n1 ZINC000252492076 549668942 /nfs/dbraw/zinc/66/89/42/549668942.db2.gz MBVMDNNSYOJNEQ-GOSISDBHSA-N 1 2 353.470 2.386 50 0 FEAALO FC(F)(F)c1nc2nc[nH]c2c(N2CCCN(c3cccc[nH+]3)CC2)n1 ZINC000252500285 549670168 /nfs/dbraw/zinc/67/01/68/549670168.db2.gz SRHHLQSPVJXWJT-UHFFFAOYSA-N 1 2 363.347 2.483 50 0 FEAALO O=S(=O)(c1ccccc1N1CCC[C@H](C[NH+]2CCOCC2)C1)C(F)F ZINC000282228310 551198313 /nfs/dbraw/zinc/19/83/13/551198313.db2.gz KXTGGXCBXHEOAX-CQSZACIVSA-N 1 2 374.453 2.232 50 0 FEAALO CCn1cnc2c(c1=O)CC[N@@H+]([C@@H]1CCN(c3ccc(Cl)cc3)C1=O)C2 ZINC000286088559 551847186 /nfs/dbraw/zinc/84/71/86/551847186.db2.gz KNCOHKMSSFGPAY-QGZVFWFLSA-N 1 2 372.856 2.080 50 0 FEAALO CCn1cnc2c(c1=O)CC[N@H+]([C@@H]1CCN(c3ccc(Cl)cc3)C1=O)C2 ZINC000286088559 551847188 /nfs/dbraw/zinc/84/71/88/551847188.db2.gz KNCOHKMSSFGPAY-QGZVFWFLSA-N 1 2 372.856 2.080 50 0 FEAALO Cc1ccccc1OC[C@@H](O)C(=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000299758142 553611343 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FEAALO O=C([O-])Cn1ccc([C@H]2CCC[N@H+](C3CC[NH+](Cc4ccco4)CC3)C2)n1 ZINC000426478633 559735269 /nfs/dbraw/zinc/73/52/69/559735269.db2.gz AOCAMCJHEMLXIY-INIZCTEOSA-N 1 2 372.469 2.405 50 0 FEAALO CC(C)(CNC(=O)c1ccc(-c2ccncc2N)cc1)[NH+]1CCOCC1 ZINC000534674486 562540142 /nfs/dbraw/zinc/54/01/42/562540142.db2.gz YYUYTJCUCMSKJM-UHFFFAOYSA-N 1 2 354.454 2.171 50 0 FEAALO O=C(NC1CCN(C(=O)N2CCCC2)CC1)c1cccc(-c2c[nH]c[nH+]2)c1 ZINC000426477542 570606874 /nfs/dbraw/zinc/60/68/74/570606874.db2.gz JEEBYXLHBADGJO-UHFFFAOYSA-N 1 2 367.453 2.487 50 0 FEAALO O=C(/C=C\c1ccccn1)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000104338962 570858893 /nfs/dbraw/zinc/85/88/93/570858893.db2.gz ZEURMADKMVNEDF-ALCCZGGFSA-N 1 2 365.433 2.210 50 0 FEAALO Cc1[nH]c2c([nH+]1)CCN(C(=O)N[C@H]1CC(=O)N(c3ccc(Cl)cc3)C1)C2 ZINC000670471664 571046179 /nfs/dbraw/zinc/04/61/79/571046179.db2.gz VSUZYFVHMRGEBD-ZDUSSCGKSA-N 1 2 373.844 2.245 50 0 FEAALO Cc1[nH]c2c([nH+]1)CN(C(=O)N[C@H]1CC(=O)N(c3ccc(Cl)cc3)C1)CC2 ZINC000670471664 571046184 /nfs/dbraw/zinc/04/61/84/571046184.db2.gz VSUZYFVHMRGEBD-ZDUSSCGKSA-N 1 2 373.844 2.245 50 0 FEAALO Nc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cn1 ZINC000584901279 571138056 /nfs/dbraw/zinc/13/80/56/571138056.db2.gz YXPZIPDDRNJENJ-UHFFFAOYSA-N 1 2 364.371 2.641 50 0 FEAALO O=C(Cc1ccc(Cl)cc1)N[C@@H]1CC[N@@H+](Cc2cscn2)C[C@H]1O ZINC000426427869 571223801 /nfs/dbraw/zinc/22/38/01/571223801.db2.gz AVKLWCNBUDUICW-HZPDHXFCSA-N 1 2 365.886 2.091 50 0 FEAALO O=C(Cc1ccc(Cl)cc1)N[C@@H]1CC[N@H+](Cc2cscn2)C[C@H]1O ZINC000426427869 571223803 /nfs/dbraw/zinc/22/38/03/571223803.db2.gz AVKLWCNBUDUICW-HZPDHXFCSA-N 1 2 365.886 2.091 50 0 FEAALO Cc1[nH+]c2cc(CNC(=O)N3CCC[C@@]4(CNC(=O)O4)CC3)ccc2n1C ZINC000584891399 571314664 /nfs/dbraw/zinc/31/46/64/571314664.db2.gz MNBPYLSOAFRSQX-IBGZPJMESA-N 1 2 371.441 2.056 50 0 FEAALO CSCCc1nc(C[C@H]2CN(C)CC[N@@H+]2C)n(-c2cccc(F)c2)n1 ZINC000108408294 670829655 /nfs/dbraw/zinc/82/96/55/670829655.db2.gz CGDONHNIOAURCE-INIZCTEOSA-N 1 2 363.506 2.100 50 0 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2.058 50 0 FEAALO CC(=O)N1CCN(c2[nH+]cccc2CNC(=O)[C@H]2CC23CCCCC3)CC1 ZINC000011813320 539535088 /nfs/dbraw/zinc/53/50/88/539535088.db2.gz UTDKAMONDLUHLY-GOSISDBHSA-N 1 2 370.497 2.337 50 0 FEAALO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000012807779 539574945 /nfs/dbraw/zinc/57/49/45/539574945.db2.gz YJXIBSYTMLBOHW-SNVBAGLBSA-N 1 2 352.389 2.314 50 0 FEAALO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000012807779 539574949 /nfs/dbraw/zinc/57/49/49/539574949.db2.gz YJXIBSYTMLBOHW-SNVBAGLBSA-N 1 2 352.389 2.314 50 0 FEAALO COc1ccc(-c2nnc(SCC[NH+]3CCOCC3)o2)c(OC)c1 ZINC000012855013 539576698 /nfs/dbraw/zinc/57/66/98/539576698.db2.gz GJYNSFIXCRDNEJ-UHFFFAOYSA-N 1 2 351.428 2.178 50 0 FEAALO CC[S@@](=O)c1ccccc1C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000012976771 539580475 /nfs/dbraw/zinc/58/04/75/539580475.db2.gz VRMPEOUNQDAGPH-CPJLOUKISA-N 1 2 366.527 2.291 50 0 FEAALO O=C(NC1CC[NH+](CN2C(=O)CC3(CCCC3)C2=O)CC1)c1ccccc1 ZINC000012885982 539577797 /nfs/dbraw/zinc/57/77/97/539577797.db2.gz ZSIXDGUSQKXVPI-UHFFFAOYSA-N 1 2 369.465 2.158 50 0 FEAALO O=C(C[NH+]1CCCCCC1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000012889945 539577916 /nfs/dbraw/zinc/57/79/16/539577916.db2.gz XMESTSXEOBLBIE-QGZVFWFLSA-N 1 2 350.484 2.083 50 0 FEAALO CCc1cc2c(C[NH+]3CCN(C(=O)C4CC4)CC3)cc(=O)oc2cc1O ZINC000014093794 539593891 /nfs/dbraw/zinc/59/38/91/539593891.db2.gz PNSPCHZDZKESLM-UHFFFAOYSA-N 1 2 356.422 2.115 50 0 FEAALO CCCCNC(=O)C[NH+]1CCN(c2ncnc3cc(Cl)ccc32)CC1 ZINC000014200281 539599207 /nfs/dbraw/zinc/59/92/07/539599207.db2.gz IXKPAXSIQIBMPC-UHFFFAOYSA-N 1 2 361.877 2.322 50 0 FEAALO COc1ccc(CC(=O)NCC[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000016953629 539637298 /nfs/dbraw/zinc/63/72/98/539637298.db2.gz ILALQNMCMMKONG-FQEVSTJZSA-N 1 2 354.450 2.427 50 0 FEAALO COc1ccc(CC(=O)NCC[N@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000016953629 539637300 /nfs/dbraw/zinc/63/73/00/539637300.db2.gz ILALQNMCMMKONG-FQEVSTJZSA-N 1 2 354.450 2.427 50 0 FEAALO COc1ccc(C[NH+]2CCN(C(=O)COc3ccccc3)CC2)cc1OC ZINC000019561045 539660847 /nfs/dbraw/zinc/66/08/47/539660847.db2.gz XPBMDTLQEIVBML-UHFFFAOYSA-N 1 2 370.449 2.427 50 0 FEAALO Cc1ccc(C(=O)NCC[NH+]2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000019683312 539665520 /nfs/dbraw/zinc/66/55/20/539665520.db2.gz PZOGCNXSFRNKGD-UHFFFAOYSA-N 1 2 365.477 2.491 50 0 FEAALO C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020680431 539677406 /nfs/dbraw/zinc/67/74/06/539677406.db2.gz HQJPAAJTTQBNHD-IKNDFHJISA-N 1 2 363.502 2.279 50 0 FEAALO COc1ccc(OC)c(N2C(=O)C[C@H]([N@@H+]3CCc4ccccc4C3)C2=O)c1 ZINC000019815023 539669993 /nfs/dbraw/zinc/66/99/93/539669993.db2.gz JWHZZUJIHPNWPH-SFHVURJKSA-N 1 2 366.417 2.394 50 0 FEAALO COc1ccc(OC)c(N2C(=O)C[C@H]([N@H+]3CCc4ccccc4C3)C2=O)c1 ZINC000019815023 539669995 /nfs/dbraw/zinc/66/99/95/539669995.db2.gz JWHZZUJIHPNWPH-SFHVURJKSA-N 1 2 366.417 2.394 50 0 FEAALO CC(=O)Nc1ccc(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)s1 ZINC000022970663 539703333 /nfs/dbraw/zinc/70/33/33/539703333.db2.gz PYELTGJANBSQBO-CQSZACIVSA-N 1 2 353.488 2.183 50 0 FEAALO C[C@H](C(=O)NC(=O)NC1CCCC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000023248995 539710680 /nfs/dbraw/zinc/71/06/80/539710680.db2.gz LAUWPMMBJKEOMP-CQSZACIVSA-N 1 2 364.515 2.023 50 0 FEAALO Cc1ccc(C(=O)CCC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000023641029 539717916 /nfs/dbraw/zinc/71/79/16/539717916.db2.gz IDSVYGKSBDMTBA-HNNXBMFYSA-N 1 2 350.484 2.343 50 0 FEAALO COC(=O)c1cccc(C[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)c1 ZINC000024247391 539728123 /nfs/dbraw/zinc/72/81/23/539728123.db2.gz CPDHMGAGDHKRJG-UHFFFAOYSA-N 1 2 367.449 2.230 50 0 FEAALO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccccc2Br)CC1 ZINC000024243323 539728457 /nfs/dbraw/zinc/72/84/57/539728457.db2.gz MMBUEHFRCZPEFE-CYBMUJFWSA-N 1 2 366.303 2.234 50 0 FEAALO COc1cccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1O ZINC000024573680 539734551 /nfs/dbraw/zinc/73/45/51/539734551.db2.gz IMPJDJSXFPYTCY-UHFFFAOYSA-N 1 2 370.405 2.088 50 0 FEAALO C[NH+](C)[C@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccsc1 ZINC000025329717 539756095 /nfs/dbraw/zinc/75/60/95/539756095.db2.gz VRETXSKIEVXHMY-OAHLLOKOSA-N 1 2 352.481 2.184 50 0 FEAALO CN(Cc1ccc(C(N)=O)cc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000026302552 539783052 /nfs/dbraw/zinc/78/30/52/539783052.db2.gz CGKSUNZJRWCGMR-UHFFFAOYSA-N 1 2 367.453 2.122 50 0 FEAALO O[C@H](CN1CC[NH+](C[C@@H](O)c2ccccc2F)CC1)c1ccccc1F ZINC000026897790 539796401 /nfs/dbraw/zinc/79/64/01/539796401.db2.gz OHSOZSCGACZDJM-WOJBJXKFSA-N 1 2 362.420 2.349 50 0 FEAALO C[C@@H](O)CNc1[nH+]c2ccccc2n1CC(=O)NCc1ccc(F)cc1 ZINC000028914920 539839592 /nfs/dbraw/zinc/83/95/92/539839592.db2.gz ROVLHPGIELFUBS-CYBMUJFWSA-N 1 2 356.401 2.285 50 0 FEAALO C[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030220237 539876253 /nfs/dbraw/zinc/87/62/53/539876253.db2.gz RCDQQYISDIBLMC-MRXNPFEDSA-N 1 2 362.433 2.366 50 0 FEAALO CCCNC(=O)NC(=O)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000036434841 539990246 /nfs/dbraw/zinc/99/02/46/539990246.db2.gz XDSTWQOGHSPQBY-UKRRQHHQSA-N 1 2 374.268 2.119 50 0 FEAALO CCCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000036434841 539990251 /nfs/dbraw/zinc/99/02/51/539990251.db2.gz XDSTWQOGHSPQBY-UKRRQHHQSA-N 1 2 374.268 2.119 50 0 FEAALO CCOc1ccc(C(=O)N2CCC[N@H+](CC(=O)NC(C)(C)C)CC2)cc1 ZINC000040030772 540004573 /nfs/dbraw/zinc/00/45/73/540004573.db2.gz IUAWYPNYWPDJHW-UHFFFAOYSA-N 1 2 361.486 2.148 50 0 FEAALO CCOc1ccc(C(=O)N2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)cc1 ZINC000040030772 540004575 /nfs/dbraw/zinc/00/45/75/540004575.db2.gz IUAWYPNYWPDJHW-UHFFFAOYSA-N 1 2 361.486 2.148 50 0 FEAALO COc1ccc(S(=O)(=O)N2CC[NH+](C3Cc4ccccc4C3)CC2)cc1 ZINC000054967122 540618900 /nfs/dbraw/zinc/61/89/00/540618900.db2.gz ANOXYTRJTLBXIE-UHFFFAOYSA-N 1 2 372.490 2.169 50 0 FEAALO NC(=O)CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCc2sccc2C1 ZINC000057452432 540797637 /nfs/dbraw/zinc/79/76/37/540797637.db2.gz TXXXELKUHHQJQE-UHFFFAOYSA-N 1 2 357.479 2.010 50 0 FEAALO NC(=O)CCN(Cc1ccccc1)C(=O)C[N@H+]1CCc2sccc2C1 ZINC000057452432 540797639 /nfs/dbraw/zinc/79/76/39/540797639.db2.gz TXXXELKUHHQJQE-UHFFFAOYSA-N 1 2 357.479 2.010 50 0 FEAALO COCCN=C1Nc2ccccc2C[NH2+][C@]12CCN(C(=O)C(C)(C)C)C2 ZINC000065265810 541231845 /nfs/dbraw/zinc/23/18/45/541231845.db2.gz PQZPJBWTLZXEAN-FQEVSTJZSA-N 1 2 358.486 2.073 50 0 FEAALO COc1cccc(NC(=O)Cn2ncc3c2nc[nH+]c3N2CCCC2)c1 ZINC000065294931 541233402 /nfs/dbraw/zinc/23/34/02/541233402.db2.gz OGOKLNVVGDLQAA-UHFFFAOYSA-N 1 2 352.398 2.074 50 0 FEAALO Nc1cc(NCc2csc(-c3ncccn3)n2)nc(N2CCCC2)[nH+]1 ZINC000065399080 541236318 /nfs/dbraw/zinc/23/63/18/541236318.db2.gz HBYBZPFAWFANEF-UHFFFAOYSA-N 1 2 354.443 2.185 50 0 FEAALO Nc1cc(NCc2csc(-c3ncccn3)n2)[nH+]c(N2CCCC2)n1 ZINC000065399080 541236320 /nfs/dbraw/zinc/23/63/20/541236320.db2.gz HBYBZPFAWFANEF-UHFFFAOYSA-N 1 2 354.443 2.185 50 0 FEAALO Cc1cc(C)n(-c2cc(N3CCN(C(=O)C(C)(C)C)CC3)[nH+]c(C)n2)n1 ZINC000067602051 541487156 /nfs/dbraw/zinc/48/71/56/541487156.db2.gz FIPIOHOAJCPQNX-UHFFFAOYSA-N 1 2 356.474 2.282 50 0 FEAALO CCn1c(=O)[nH]nc1[C@H]1CCC[N@H+](Cc2c(Cl)nc3sccn23)C1 ZINC000067725208 541505038 /nfs/dbraw/zinc/50/50/38/541505038.db2.gz HJXTUXSDBWXBIN-JTQLQIEISA-N 1 2 366.878 2.334 50 0 FEAALO CCn1c(=O)[nH]nc1[C@H]1CCC[N@@H+](Cc2c(Cl)nc3sccn23)C1 ZINC000067725208 541505041 /nfs/dbraw/zinc/50/50/41/541505041.db2.gz HJXTUXSDBWXBIN-JTQLQIEISA-N 1 2 366.878 2.334 50 0 FEAALO Cc1cc(C)n(C2C[NH+](Cc3cc4cc5c(cc4[nH]c3=O)OCO5)C2)n1 ZINC000067770462 541511341 /nfs/dbraw/zinc/51/13/41/541511341.db2.gz GCJBMBPFZGDGNK-UHFFFAOYSA-N 1 2 352.394 2.127 50 0 FEAALO CCn1cc(C(=O)NCc2ccc[nH+]c2N(C)CCc2ccccn2)cn1 ZINC000067784263 541513831 /nfs/dbraw/zinc/51/38/31/541513831.db2.gz AKZCRYDTUXSQHV-UHFFFAOYSA-N 1 2 364.453 2.302 50 0 FEAALO CC(C)(C[N@@H+]1CCc2nc[nH]c2[C@H]1c1cccc(O)c1)N1CCOCC1 ZINC000067872521 541523587 /nfs/dbraw/zinc/52/35/87/541523587.db2.gz HNOJHMCARGINIC-LJQANCHMSA-N 1 2 356.470 2.174 50 0 FEAALO CC(C)(C[N@H+]1CCc2nc[nH]c2[C@H]1c1cccc(O)c1)N1CCOCC1 ZINC000067872521 541523589 /nfs/dbraw/zinc/52/35/89/541523589.db2.gz HNOJHMCARGINIC-LJQANCHMSA-N 1 2 356.470 2.174 50 0 FEAALO COCCNC(=O)c1ccc(NC(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000097475471 209183213 /nfs/dbraw/zinc/18/32/13/209183213.db2.gz GADPFPZXBCOIOY-UHFFFAOYSA-N 1 2 356.426 2.396 50 0 FEAALO O=C(Cn1c2ccccc2[nH+]c1NCCO)NCCc1ccc(Cl)cc1 ZINC000068938273 541642977 /nfs/dbraw/zinc/64/29/77/541642977.db2.gz HTUMJALTJFPBRY-UHFFFAOYSA-N 1 2 372.856 2.453 50 0 FEAALO COc1ccc2cc([C@H]3C[N@H+](Cc4cc(=O)[nH]c(=O)[nH]4)CCO3)ccc2c1 ZINC000071415588 541767511 /nfs/dbraw/zinc/76/75/11/541767511.db2.gz MFYBWFISKXAFFE-GOSISDBHSA-N 1 2 367.405 2.211 50 0 FEAALO COc1ccc2cc([C@H]3C[N@@H+](Cc4cc(=O)[nH]c(=O)[nH]4)CCO3)ccc2c1 ZINC000071415588 541767513 /nfs/dbraw/zinc/76/75/13/541767513.db2.gz MFYBWFISKXAFFE-GOSISDBHSA-N 1 2 367.405 2.211 50 0 FEAALO COc1cccc(C(=O)N2CC[NH+](Cc3cccc4nonc43)CC2)c1 ZINC000072145662 541788082 /nfs/dbraw/zinc/78/80/82/541788082.db2.gz CHMUNQIPMMSUPN-UHFFFAOYSA-N 1 2 352.394 2.189 50 0 FEAALO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2c1)NC1CCC1 ZINC000072150765 541790112 /nfs/dbraw/zinc/79/01/12/541790112.db2.gz PCRXLASDFJEMQQ-IBGZPJMESA-N 1 2 351.450 2.199 50 0 FEAALO O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc2ccccc2c1)NC1CCC1 ZINC000072150765 541790114 /nfs/dbraw/zinc/79/01/14/541790114.db2.gz PCRXLASDFJEMQQ-IBGZPJMESA-N 1 2 351.450 2.199 50 0 FEAALO CC(C)CNC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2c1 ZINC000072161280 541792201 /nfs/dbraw/zinc/79/22/01/541792201.db2.gz DBBGMPOLNJIDLC-IBGZPJMESA-N 1 2 353.466 2.303 50 0 FEAALO CC(C)CNC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000072161280 541792202 /nfs/dbraw/zinc/79/22/02/541792202.db2.gz DBBGMPOLNJIDLC-IBGZPJMESA-N 1 2 353.466 2.303 50 0 FEAALO CCCCN(C(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1cccs1)C(C)C ZINC000072167191 541794380 /nfs/dbraw/zinc/79/43/80/541794380.db2.gz CUMRANLACWCZKF-MRXNPFEDSA-N 1 2 351.516 2.476 50 0 FEAALO CCCCN(C(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccs1)C(C)C ZINC000072167191 541794383 /nfs/dbraw/zinc/79/43/83/541794383.db2.gz CUMRANLACWCZKF-MRXNPFEDSA-N 1 2 351.516 2.476 50 0 FEAALO CC(C)[C@@H](NC(=O)c1cn(Cc2c(F)cccc2F)nn1)c1[nH+]ccn1C ZINC000072166023 541794171 /nfs/dbraw/zinc/79/41/71/541794171.db2.gz BYKQXNFMUDFRPT-MRXNPFEDSA-N 1 2 374.395 2.465 50 0 FEAALO CC[C@H](Nc1[nH+]cnc2c1cnn2CC(=O)OC)[C@H](O)c1ccccc1F ZINC000072304135 541797637 /nfs/dbraw/zinc/79/76/37/541797637.db2.gz CZLIJJUYAJPIMX-GOEBONIOSA-N 1 2 373.388 2.063 50 0 FEAALO Cc1cc(C)n(-c2cc(NCCNC(=O)c3cccc(C)c3)[nH+]cn2)n1 ZINC000072434324 541813421 /nfs/dbraw/zinc/81/34/21/541813421.db2.gz UOTXRGVCQRUNJY-UHFFFAOYSA-N 1 2 350.426 2.429 50 0 FEAALO Cc1cccnc1C[NH+]1CCN(C(=O)c2ccccc2-c2nc[nH]n2)CC1 ZINC000072456976 541817035 /nfs/dbraw/zinc/81/70/35/541817035.db2.gz UOYIZEKIOGGIOK-UHFFFAOYSA-N 1 2 362.437 2.133 50 0 FEAALO Cc1ccn(-c2cc(NCCNC(=O)c3c(F)cccc3F)[nH+]cn2)n1 ZINC000072446909 541815237 /nfs/dbraw/zinc/81/52/37/541815237.db2.gz VKEGAPYEYMJLBF-UHFFFAOYSA-N 1 2 358.352 2.091 50 0 FEAALO Cc1nc(C2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)n(Cc2ccccc2)n1 ZINC000096164533 209128858 /nfs/dbraw/zinc/12/88/58/209128858.db2.gz KOHCXKMYQAXTCL-SFHVURJKSA-N 1 2 374.510 2.001 50 0 FEAALO O[C@@H]1CCC[N@H+](Cc2nc(-c3ccncc3)nn2Cc2ccc(F)cc2)C1 ZINC000096152983 209125213 /nfs/dbraw/zinc/12/52/13/209125213.db2.gz KYJVCUNXHLJHIG-GOSISDBHSA-N 1 2 367.428 2.484 50 0 FEAALO O[C@@H]1CCC[N@@H+](Cc2nc(-c3ccncc3)nn2Cc2ccc(F)cc2)C1 ZINC000096152983 209125215 /nfs/dbraw/zinc/12/52/15/209125215.db2.gz KYJVCUNXHLJHIG-GOSISDBHSA-N 1 2 367.428 2.484 50 0 FEAALO Cn1cnnc1-c1ccc(NC(=O)NCC2(Cn3cc[nH+]c3)CC2)cc1 ZINC000096139964 209120150 /nfs/dbraw/zinc/12/01/50/209120150.db2.gz QESAHTZPSQVTDC-UHFFFAOYSA-N 1 2 351.414 2.281 50 0 FEAALO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(C)=O)C[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000096133443 209117363 /nfs/dbraw/zinc/11/73/63/209117363.db2.gz OKLPRFGYENONOE-KAGICYHLSA-N 1 2 361.461 2.286 50 0 FEAALO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(C)=O)C[N@H+]1C/C=C/c1ccc(F)cc1 ZINC000096133443 209117367 /nfs/dbraw/zinc/11/73/67/209117367.db2.gz OKLPRFGYENONOE-KAGICYHLSA-N 1 2 361.461 2.286 50 0 FEAALO C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000075968269 542220445 /nfs/dbraw/zinc/22/04/45/542220445.db2.gz RFHCUPSFOHHEGV-CVEARBPZSA-N 1 2 356.532 2.115 50 0 FEAALO C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@H+]1CCCC2(C1)CCCCCC2 ZINC000075968269 542220450 /nfs/dbraw/zinc/22/04/50/542220450.db2.gz RFHCUPSFOHHEGV-CVEARBPZSA-N 1 2 356.532 2.115 50 0 FEAALO CCC[C@H](NC(=O)c1nccnc1C(=O)N1CCCCC1)c1[nH+]ccn1C ZINC000299790571 206650953 /nfs/dbraw/zinc/65/09/53/206650953.db2.gz CEQUSJFWTGCMPS-AWEZNQCLSA-N 1 2 370.457 2.107 50 0 FEAALO CCOC(=O)c1sc(NC(=O)C[NH+]2CCCC2)c(C(=O)OCC)c1C ZINC000004271411 207011384 /nfs/dbraw/zinc/01/13/84/207011384.db2.gz DTJBJPHFHVUZSA-UHFFFAOYSA-N 1 2 368.455 2.444 50 0 FEAALO Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)N(C)C2CCCCC2)cc1 ZINC000012579059 207396149 /nfs/dbraw/zinc/39/61/49/207396149.db2.gz MAAPUPAXCKIBFI-IBGZPJMESA-N 1 2 357.498 2.477 50 0 FEAALO Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)N(C)C2CCCCC2)cc1 ZINC000012579059 207396155 /nfs/dbraw/zinc/39/61/55/207396155.db2.gz MAAPUPAXCKIBFI-IBGZPJMESA-N 1 2 357.498 2.477 50 0 FEAALO CCc1ccc(NC(=O)[C@@H](C)N2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1 ZINC000023248829 207841120 /nfs/dbraw/zinc/84/11/20/207841120.db2.gz WYVSPPQHXGREDL-MRXNPFEDSA-N 1 2 374.529 2.108 50 0 FEAALO CN1C(=O)c2ccc(C(=O)NCc3ccccc3Cn3cc[nH+]c3)cc2C1=O ZINC000032860025 208051210 /nfs/dbraw/zinc/05/12/10/208051210.db2.gz PBDBPNATPWUXLZ-UHFFFAOYSA-N 1 2 374.400 2.087 50 0 FEAALO O=C(NCc1ccco1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000036251695 208152319 /nfs/dbraw/zinc/15/23/19/208152319.db2.gz DLJDMYXIJXNGOD-SFHVURJKSA-N 1 2 359.470 2.009 50 0 FEAALO O=S(=O)(CCOc1ccccc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000070637747 208176810 /nfs/dbraw/zinc/17/68/10/208176810.db2.gz JGTBJBLFYNLHBD-UHFFFAOYSA-N 1 2 374.506 2.256 50 0 FEAALO CC(C)CCNC(=O)C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000040120327 208232314 /nfs/dbraw/zinc/23/23/14/208232314.db2.gz LFHGSKRZUTYRSP-LJQANCHMSA-N 1 2 357.498 2.198 50 0 FEAALO CC(C)CCNC(=O)C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000040120327 208232321 /nfs/dbraw/zinc/23/23/21/208232321.db2.gz LFHGSKRZUTYRSP-LJQANCHMSA-N 1 2 357.498 2.198 50 0 FEAALO Cc1cc(NCCS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)[nH+]c2ccccc12 ZINC000042108189 208289316 /nfs/dbraw/zinc/28/93/16/208289316.db2.gz NWUJGCFTFAIJAW-GJZGRUSLSA-N 1 2 363.483 2.394 50 0 FEAALO C[C@@H]1C[N@@H+](CCNC(=O)COCc2nc3ccccc3s2)C[C@H](C)O1 ZINC000042032174 208289715 /nfs/dbraw/zinc/28/97/15/208289715.db2.gz REQYTZNHUVWWIT-OKILXGFUSA-N 1 2 363.483 2.038 50 0 FEAALO C[C@@H]1C[N@H+](CCNC(=O)COCc2nc3ccccc3s2)C[C@H](C)O1 ZINC000042032174 208289721 /nfs/dbraw/zinc/28/97/21/208289721.db2.gz REQYTZNHUVWWIT-OKILXGFUSA-N 1 2 363.483 2.038 50 0 FEAALO COc1cc2c(cc1-c1[nH+]ccn1C[C@@H]1CN(C(C)=O)CCO1)CCC2 ZINC000077358865 542372969 /nfs/dbraw/zinc/37/29/69/542372969.db2.gz CDBQCPGHEPPBQM-KRWDZBQOSA-N 1 2 355.438 2.295 50 0 FEAALO Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000077376398 542374221 /nfs/dbraw/zinc/37/42/21/542374221.db2.gz GOGNGDODFVVNTB-INIZCTEOSA-N 1 2 360.506 2.196 50 0 FEAALO Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccco4)CC3)[nH+]c(C)n2)n1 ZINC000067604250 208709401 /nfs/dbraw/zinc/70/94/01/208709401.db2.gz XWTRAOHLJKRTDK-UHFFFAOYSA-N 1 2 366.425 2.143 50 0 FEAALO Cc1nc(NCCn2cccn2)c2c([nH+]1)CCN(c1nccs1)CC2 ZINC000072424393 208854548 /nfs/dbraw/zinc/85/45/48/208854548.db2.gz LKKYOFMGARTIHD-UHFFFAOYSA-N 1 2 355.471 2.155 50 0 FEAALO CC(C)S(=O)(=O)N1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095363571 209029953 /nfs/dbraw/zinc/02/99/53/209029953.db2.gz DRODFNQPFMDMEM-ZDUSSCGKSA-N 1 2 354.501 2.306 50 0 FEAALO C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCc1noc(Cc2ccccc2)n1 ZINC000095367208 209031054 /nfs/dbraw/zinc/03/10/54/209031054.db2.gz SAJBPSYIMCCLFP-SFHVURJKSA-N 1 2 362.433 2.333 50 0 FEAALO C[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCc1noc(Cc2ccccc2)n1 ZINC000095367208 209031058 /nfs/dbraw/zinc/03/10/58/209031058.db2.gz SAJBPSYIMCCLFP-SFHVURJKSA-N 1 2 362.433 2.333 50 0 FEAALO C[NH+](C)[C@@H](C(=O)NC1(CN2CCOCC2)CCCC1)c1ccc(F)cc1 ZINC000095364590 209031565 /nfs/dbraw/zinc/03/15/65/209031565.db2.gz DOQRXQOCDSSKQX-GOSISDBHSA-N 1 2 363.477 2.190 50 0 FEAALO Cc1cc(N)nc(SC[C@H]2Cn3c(nnc3-c3cccnc3)S2)[nH+]1 ZINC000095465688 209056099 /nfs/dbraw/zinc/05/60/99/209056099.db2.gz XWHZCDNBDZSCMT-LLVKDONJSA-N 1 2 357.468 2.287 50 0 FEAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc3c(c2)ncn(C)c3=O)C1 ZINC000095499071 209061117 /nfs/dbraw/zinc/06/11/17/209061117.db2.gz TYQYJTQINSJLGS-OAHLLOKOSA-N 1 2 365.437 2.170 50 0 FEAALO COCCn1cc[nH+]c1C1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 ZINC000095502899 209063501 /nfs/dbraw/zinc/06/35/01/209063501.db2.gz SNLJDAFVVHTQEG-GOSISDBHSA-N 1 2 355.438 2.239 50 0 FEAALO CN(C)C(=O)NCc1cc2n(n1)CC[N@H+](Cc1ccc3occc3c1)C2 ZINC000082099984 542683298 /nfs/dbraw/zinc/68/32/98/542683298.db2.gz UQCDPJDGTOKOIE-UHFFFAOYSA-N 1 2 353.426 2.416 50 0 FEAALO CN(C)C(=O)NCc1cc2n(n1)CC[N@@H+](Cc1ccc3occc3c1)C2 ZINC000082099984 542683301 /nfs/dbraw/zinc/68/33/01/542683301.db2.gz UQCDPJDGTOKOIE-UHFFFAOYSA-N 1 2 353.426 2.416 50 0 FEAALO Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc4[nH]nnc4c3)CC2)n1 ZINC000082115365 542684530 /nfs/dbraw/zinc/68/45/30/542684530.db2.gz UVSYHHGMGIOKMO-MRXNPFEDSA-N 1 2 364.453 2.446 50 0 FEAALO Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc4[nH]nnc4c3)CC2)n1 ZINC000082115365 542684531 /nfs/dbraw/zinc/68/45/31/542684531.db2.gz UVSYHHGMGIOKMO-MRXNPFEDSA-N 1 2 364.453 2.446 50 0 FEAALO CCCCNC(=O)C1CCN(c2nc(-n3nc(C)cc3C)cc[nH+]2)CC1 ZINC000096101972 132219442 /nfs/dbraw/zinc/21/94/42/132219442.db2.gz GKAYMOJFFHBGAB-UHFFFAOYSA-N 1 2 356.474 2.412 50 0 FEAALO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2nc3ccccc3c(C)c2Cl)C1 ZINC000089568321 542764730 /nfs/dbraw/zinc/76/47/30/542764730.db2.gz JYAWJMQHISRMJK-LBPRGKRZSA-N 1 2 353.875 2.320 50 0 FEAALO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2nc3ccccc3c(C)c2Cl)C1 ZINC000089568321 542764732 /nfs/dbraw/zinc/76/47/32/542764732.db2.gz JYAWJMQHISRMJK-LBPRGKRZSA-N 1 2 353.875 2.320 50 0 FEAALO O=C(c1ccccc1)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000091416682 542806237 /nfs/dbraw/zinc/80/62/37/542806237.db2.gz UQUMGMABTYJIRY-UHFFFAOYSA-N 1 2 364.449 2.336 50 0 FEAALO Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H](C(C)C)[C@H](NC(=O)N(C)C)C1 ZINC000091605129 542816136 /nfs/dbraw/zinc/81/61/36/542816136.db2.gz WXAIPELJTSIMIX-DOTOQJQBSA-N 1 2 371.485 2.099 50 0 FEAALO O=C(c1cccc(F)c1)N1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000038528195 136118799 /nfs/dbraw/zinc/11/87/99/136118799.db2.gz AXOLMHIHZYGRFV-UHFFFAOYSA-N 1 2 355.417 2.178 50 0 FEAALO O=C(c1cccc(F)c1)N1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000038528195 136118800 /nfs/dbraw/zinc/11/88/00/136118800.db2.gz AXOLMHIHZYGRFV-UHFFFAOYSA-N 1 2 355.417 2.178 50 0 FEAALO O=C(NCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc2c(c1)OCO2 ZINC000056997456 136128077 /nfs/dbraw/zinc/12/80/77/136128077.db2.gz FQWWPXBSWFHGLU-UHFFFAOYSA-N 1 2 371.412 2.106 50 0 FEAALO C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000057406130 136129229 /nfs/dbraw/zinc/12/92/29/136129229.db2.gz FGIGNOZNPJGSLE-MRXNPFEDSA-N 1 2 351.450 2.492 50 0 FEAALO O=C(CCNC(=O)c1cccc(Cl)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000058227989 136131179 /nfs/dbraw/zinc/13/11/79/136131179.db2.gz JALWKKNUJYCCPN-UHFFFAOYSA-N 1 2 372.856 2.204 50 0 FEAALO C[NH+]1CCN(c2ccc(Cn3c(=O)c4ccccc4[nH]c3=S)cn2)CC1 ZINC000012545541 136152043 /nfs/dbraw/zinc/15/20/43/136152043.db2.gz BICBZNUBKNFDCA-UHFFFAOYSA-N 1 2 367.478 2.254 50 0 FEAALO CCCCCN(C)c1ccc(F)cc1C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000095467791 542972676 /nfs/dbraw/zinc/97/26/76/542972676.db2.gz XQSPDIKZWJAUDY-KRWDZBQOSA-N 1 2 362.449 2.188 50 0 FEAALO CCCCCN(C)c1ccc(F)cc1C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000095467791 542972679 /nfs/dbraw/zinc/97/26/79/542972679.db2.gz XQSPDIKZWJAUDY-KRWDZBQOSA-N 1 2 362.449 2.188 50 0 FEAALO COc1ccc(C[N@@H+]2CCN(Cc3nccs3)C[C@H]2CCO)c(F)c1 ZINC000104434933 543131829 /nfs/dbraw/zinc/13/18/29/543131829.db2.gz PEZAMEHFPUXRPX-OAHLLOKOSA-N 1 2 365.474 2.360 50 0 FEAALO COc1ccc(C[N@H+]2CCN(Cc3nccs3)C[C@H]2CCO)c(F)c1 ZINC000104434933 543131831 /nfs/dbraw/zinc/13/18/31/543131831.db2.gz PEZAMEHFPUXRPX-OAHLLOKOSA-N 1 2 365.474 2.360 50 0 FEAALO C[C@@H]1Cc2cc(S(=O)(=O)NCc3cc[nH+]c(N4CCCC4)c3)ccc2O1 ZINC000106227093 543220388 /nfs/dbraw/zinc/22/03/88/543220388.db2.gz LDKRAQIFRAVOKN-CQSZACIVSA-N 1 2 373.478 2.484 50 0 FEAALO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3nc(C)no3)C2)c1 ZINC000095521916 209074604 /nfs/dbraw/zinc/07/46/04/209074604.db2.gz HOHYSBZLLYDPPD-AWEZNQCLSA-N 1 2 374.441 2.037 50 0 FEAALO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3nc(C)no3)C2)c1 ZINC000095521916 209074607 /nfs/dbraw/zinc/07/46/07/209074607.db2.gz HOHYSBZLLYDPPD-AWEZNQCLSA-N 1 2 374.441 2.037 50 0 FEAALO COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)Cn2ncc3ccccc32)C1 ZINC000095526888 209075158 /nfs/dbraw/zinc/07/51/58/209075158.db2.gz XBEYLYZWXPUQJT-KRWDZBQOSA-N 1 2 367.453 2.285 50 0 FEAALO C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127087984 543972219 /nfs/dbraw/zinc/97/22/19/543972219.db2.gz OJVPBHCHAYBZEO-CSBKYJRVSA-N 1 2 368.424 2.410 50 0 FEAALO C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127087984 543972221 /nfs/dbraw/zinc/97/22/21/543972221.db2.gz OJVPBHCHAYBZEO-CSBKYJRVSA-N 1 2 368.424 2.410 50 0 FEAALO O=C(COc1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019773748 263376908 /nfs/dbraw/zinc/37/69/08/263376908.db2.gz KDSKSYFWNMAQCK-UHFFFAOYSA-N 1 2 354.406 2.139 50 0 FEAALO CC(C)[C@@H](C(=O)N1CCS(=O)(=O)c2ccccc2C1)[NH+]1CCCCC1 ZINC000187389814 328021894 /nfs/dbraw/zinc/02/18/94/328021894.db2.gz DGZDJRQPMQCXTE-SFHVURJKSA-N 1 2 364.511 2.313 50 0 FEAALO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2scnc2C2CC2)CC1 ZINC000089697843 325327490 /nfs/dbraw/zinc/32/74/90/325327490.db2.gz OKIVSCIAGCNSDY-UHFFFAOYSA-N 1 2 364.515 2.037 50 0 FEAALO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2scnc2C2CC2)CC1 ZINC000089697843 325327492 /nfs/dbraw/zinc/32/74/92/325327492.db2.gz OKIVSCIAGCNSDY-UHFFFAOYSA-N 1 2 364.515 2.037 50 0 FEAALO CCc1nnc(NC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)s1 ZINC000111707115 325731263 /nfs/dbraw/zinc/73/12/63/325731263.db2.gz NDPFZARRSHYMTK-UHFFFAOYSA-N 1 2 352.489 2.215 50 0 FEAALO Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000173689805 327277241 /nfs/dbraw/zinc/27/72/41/327277241.db2.gz ZYPAUNDOKKJCRG-MRXNPFEDSA-N 1 2 371.466 2.226 50 0 FEAALO Cc1c(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cnn1-c1ccccc1C ZINC000174474619 327329167 /nfs/dbraw/zinc/32/91/67/327329167.db2.gz CFEMOZDKVFPMPM-SFHVURJKSA-N 1 2 368.481 2.426 50 0 FEAALO CC(C)N1CCC[C@@]2(CCN(C(=O)c3ccc(Cn4cc[nH+]c4)o3)C2)C1=O ZINC000091636352 519677323 /nfs/dbraw/zinc/67/73/23/519677323.db2.gz DVWFAEZFEXHEIT-FQEVSTJZSA-N 1 2 370.453 2.388 50 0 FEAALO CCCC[C@H]1CN(c2ccccc2OC)C(=O)CN1C(=O)Cn1cc[nH+]c1 ZINC000082109403 521251904 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CCCCn1c(=O)[nH]c(O)c([C@H]2[NH2+]CCc3c4cc(C)ccc4[nH]c32)c1=O ZINC000020611185 539675815 /nfs/dbraw/zinc/67/58/15/539675815.db2.gz OEIDDRDQEYSILW-QGZVFWFLSA-N 1 2 368.437 2.067 50 0 FEAALO CCCCn1c(O)c([C@H]2[NH2+]CCc3c4cc(C)ccc4[nH]c32)c(=O)[nH]c1=O ZINC000020611185 539675818 /nfs/dbraw/zinc/67/58/18/539675818.db2.gz OEIDDRDQEYSILW-QGZVFWFLSA-N 1 2 368.437 2.067 50 0 FEAALO NC(=O)C1CC[NH+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000022240703 539692714 /nfs/dbraw/zinc/69/27/14/539692714.db2.gz IXGPOJMFUUCAAG-UHFFFAOYSA-N 1 2 362.430 2.085 50 0 FEAALO COc1ccc([C@H](C2Sc3nc(C)nn3C2=O)[NH+]2CCC(O)CC2)cc1 ZINC000023157259 539708538 /nfs/dbraw/zinc/70/85/38/539708538.db2.gz DZBRHOAYFNZIJO-OAHLLOKOSA-N 1 2 374.466 2.360 50 0 FEAALO COc1ccc(CN(C)C(=O)CSc2nc(N)cc(C)[nH+]2)cc1F ZINC000023290607 539711438 /nfs/dbraw/zinc/71/14/38/539711438.db2.gz AQZAYFJHQSUFBU-UHFFFAOYSA-N 1 2 350.419 2.266 50 0 FEAALO O=C1C(=O)N(C2CCCC2)C(=O)N1C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000023508486 539715422 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C[N@H+](CC(=O)NCc1ccco1)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000039987555 540003218 /nfs/dbraw/zinc/00/32/18/540003218.db2.gz MOMQALFSYDRIOQ-UHFFFAOYSA-N 1 2 350.802 2.452 50 0 FEAALO C[N@@H+](CC(=O)NCc1ccco1)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000039987555 540003222 /nfs/dbraw/zinc/00/32/22/540003222.db2.gz MOMQALFSYDRIOQ-UHFFFAOYSA-N 1 2 350.802 2.452 50 0 FEAALO COc1c2c(cc3c1[C@@H](c1nnnn1C1CCCCC1)[N@H+](C)CC3)OCO2 ZINC000002128393 209395970 /nfs/dbraw/zinc/39/59/70/209395970.db2.gz BKDUDYJWAQAMQE-INIZCTEOSA-N 1 2 371.441 2.493 50 0 biogenic FEAALO COc1c2c(cc3c1[C@@H](c1nnnn1C1CCCCC1)[N@@H+](C)CC3)OCO2 ZINC000002128393 209395973 /nfs/dbraw/zinc/39/59/73/209395973.db2.gz BKDUDYJWAQAMQE-INIZCTEOSA-N 1 2 371.441 2.493 50 0 biogenic FEAALO Cc1ccc(CCC(=O)NCC(=O)NCc2cn3ccc(C)cc3[nH+]2)cc1 ZINC000058244547 540835740 /nfs/dbraw/zinc/83/57/40/540835740.db2.gz BHHBHBPOGSAFJN-UHFFFAOYSA-N 1 2 364.449 2.316 50 0 FEAALO Cc1ccc(CNC(=O)Cn2ncc3c2nc[nH+]c3N2CCCC2)cc1 ZINC000065294953 541233690 /nfs/dbraw/zinc/23/36/90/541233690.db2.gz ULJNRNHAIOJJJX-UHFFFAOYSA-N 1 2 350.426 2.051 50 0 FEAALO Nc1cc(N2CCN(Cc3ccc4cccc(Cl)c4n3)CC2)nc(N)[nH+]1 ZINC000065406500 541236337 /nfs/dbraw/zinc/23/63/37/541236337.db2.gz CEQLCVWBOBKFBG-UHFFFAOYSA-N 1 2 369.860 2.165 50 0 FEAALO NC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc2ccc(F)cc2[nH]c1=O ZINC000067604254 541487859 /nfs/dbraw/zinc/48/78/59/541487859.db2.gz NWLVKLANTMOOEI-GOSISDBHSA-N 1 2 351.381 2.079 50 0 FEAALO NC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1cc2ccc(F)cc2[nH]c1=O ZINC000067604254 541487863 /nfs/dbraw/zinc/48/78/63/541487863.db2.gz NWLVKLANTMOOEI-GOSISDBHSA-N 1 2 351.381 2.079 50 0 FEAALO C[C@@H](NC(=O)c1coc(COc2ccc3c(c2)OCO3)n1)c1[nH]cc[nH+]1 ZINC000067821401 541517662 /nfs/dbraw/zinc/51/76/62/541517662.db2.gz YRXNVETZYMJBGG-SNVBAGLBSA-N 1 2 356.338 2.196 50 0 FEAALO CC(C)[N@@H+]1CCCn2nc(C(=O)NCCc3n[nH]c4c3CCCC4)cc2C1 ZINC000067894832 541526778 /nfs/dbraw/zinc/52/67/78/541526778.db2.gz QLYMARWIMJDJFU-UHFFFAOYSA-N 1 2 370.501 2.072 50 0 FEAALO CC(C)[N@H+]1CCCn2nc(C(=O)NCCc3n[nH]c4c3CCCC4)cc2C1 ZINC000067894832 541526781 /nfs/dbraw/zinc/52/67/81/541526781.db2.gz QLYMARWIMJDJFU-UHFFFAOYSA-N 1 2 370.501 2.072 50 0 FEAALO COc1ccccc1NC(=O)N1CC[N@H+](Cc2ccco2)[C@@H](CCO)C1 ZINC000097784855 209197380 /nfs/dbraw/zinc/19/73/80/209197380.db2.gz CQGXXXMZTALWIF-HNNXBMFYSA-N 1 2 359.426 2.389 50 0 FEAALO COc1ccccc1NC(=O)N1CC[N@@H+](Cc2ccco2)[C@@H](CCO)C1 ZINC000097784855 209197381 /nfs/dbraw/zinc/19/73/81/209197381.db2.gz CQGXXXMZTALWIF-HNNXBMFYSA-N 1 2 359.426 2.389 50 0 FEAALO O=C(C[N@@H+]1CCC[C@H]1c1cccc2ccccc21)N[C@@H]1CCS(=O)(=O)C1 ZINC000069925658 541724125 /nfs/dbraw/zinc/72/41/25/541724125.db2.gz BDYWUEBJOJSPSO-APWZRJJASA-N 1 2 372.490 2.280 50 0 FEAALO O=C(C[N@H+]1CCC[C@H]1c1cccc2ccccc21)N[C@@H]1CCS(=O)(=O)C1 ZINC000069925658 541724128 /nfs/dbraw/zinc/72/41/28/541724128.db2.gz BDYWUEBJOJSPSO-APWZRJJASA-N 1 2 372.490 2.280 50 0 FEAALO CC(C)(C)OC(=O)N1CC[NH+](C[C@@H](O)c2ccc3c(c2)OCO3)CC1 ZINC000070459547 541734710 /nfs/dbraw/zinc/73/47/10/541734710.db2.gz XGTVKYLLIXRYIJ-CQSZACIVSA-N 1 2 350.415 2.001 50 0 FEAALO CC(=O)Nc1ccc(-c2[nH+]ccn2-c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000071712121 541769727 /nfs/dbraw/zinc/76/97/27/541769727.db2.gz JGUQVHPFUKQHST-UHFFFAOYSA-N 1 2 356.407 2.145 50 0 FEAALO O=C(CCc1cc(=O)[nH]o1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071749209 541770760 /nfs/dbraw/zinc/77/07/60/541770760.db2.gz GUJXEHOQIPOWJI-IOMROCGXSA-N 1 2 367.449 2.402 50 0 FEAALO CCNC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000072149644 541789203 /nfs/dbraw/zinc/78/92/03/541789203.db2.gz YVKFVGFFWCBARS-IBGZPJMESA-N 1 2 351.450 2.180 50 0 FEAALO CCNC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000072149644 541789205 /nfs/dbraw/zinc/78/92/05/541789205.db2.gz YVKFVGFFWCBARS-IBGZPJMESA-N 1 2 351.450 2.180 50 0 FEAALO CSc1ncccc1C(=O)N1CCC[C@@H](c2nnc(C[NH+](C)C)n2C)C1 ZINC000072411470 541807622 /nfs/dbraw/zinc/80/76/22/541807622.db2.gz PIPBJDVSQJCMNQ-CYBMUJFWSA-N 1 2 374.514 2.013 50 0 FEAALO Cc1ncc(C(=O)N2CCC[C@H](c3nnc(C[NH+]4CCCC4)n3C)C2)s1 ZINC000072431937 541812561 /nfs/dbraw/zinc/81/25/61/541812561.db2.gz VAEQXEWIXMQYFW-AWEZNQCLSA-N 1 2 374.514 2.196 50 0 FEAALO Cn1c(C[NH+](C)C)nnc1[C@H]1CCCN(C(=O)NCCc2ccccc2)C1 ZINC000072432309 541812893 /nfs/dbraw/zinc/81/28/93/541812893.db2.gz QTDUHLDLIOBLMM-KRWDZBQOSA-N 1 2 370.501 2.008 50 0 FEAALO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccccn2)C[C@H]1CCO ZINC000072462833 541816942 /nfs/dbraw/zinc/81/69/42/541816942.db2.gz IQDMLZMXSSQENA-GOSISDBHSA-N 1 2 369.465 2.189 50 0 FEAALO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccccn2)C[C@H]1CCO ZINC000072462833 541816945 /nfs/dbraw/zinc/81/69/45/541816945.db2.gz IQDMLZMXSSQENA-GOSISDBHSA-N 1 2 369.465 2.189 50 0 FEAALO O=C(c1[nH]nc2ccccc21)N1CC[N@H+](Cc2ccccc2)[C@H](CCO)C1 ZINC000072447765 541816232 /nfs/dbraw/zinc/81/62/32/541816232.db2.gz FBRQNMPQFZADLE-QGZVFWFLSA-N 1 2 364.449 2.272 50 0 FEAALO O=C(c1[nH]nc2ccccc21)N1CC[N@@H+](Cc2ccccc2)[C@H](CCO)C1 ZINC000072447765 541816236 /nfs/dbraw/zinc/81/62/36/541816236.db2.gz FBRQNMPQFZADLE-QGZVFWFLSA-N 1 2 364.449 2.272 50 0 FEAALO CC(=O)c1cccc(C(=O)N2CCC[C@@H](c3nnc(C[NH+](C)C)n3C)C2)c1 ZINC000072479900 541821695 /nfs/dbraw/zinc/82/16/95/541821695.db2.gz JALUBRAJJCNPJF-QGZVFWFLSA-N 1 2 369.469 2.099 50 0 FEAALO CC(=O)Nc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)[O-])C3)CC2)cc1 ZINC000097155951 209172955 /nfs/dbraw/zinc/17/29/55/209172955.db2.gz VHULEQZWTOLTTN-QGZVFWFLSA-N 1 2 359.470 2.406 50 0 FEAALO CC(=O)Nc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)[O-])C3)CC2)cc1 ZINC000097155951 209172958 /nfs/dbraw/zinc/17/29/58/209172958.db2.gz VHULEQZWTOLTTN-QGZVFWFLSA-N 1 2 359.470 2.406 50 0 FEAALO Cc1noc(C)c1CCC(=O)N1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000096232052 209140643 /nfs/dbraw/zinc/14/06/43/209140643.db2.gz XWFAKDXEIMJBLA-UHFFFAOYSA-N 1 2 367.453 2.460 50 0 FEAALO CCc1[nH+]c(C)ccc1OCc1nc(CC(N)=O)nn1-c1cccc(F)c1 ZINC000096165533 209130665 /nfs/dbraw/zinc/13/06/65/209130665.db2.gz PJAZYIBPXDHNMK-UHFFFAOYSA-N 1 2 369.400 2.279 50 0 FEAALO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)C(C)C)C[N@@H+]1Cc1cccs1 ZINC000096165160 209128927 /nfs/dbraw/zinc/12/89/27/209128927.db2.gz PLECVQYZVFERLK-HOCLYGCPSA-N 1 2 351.516 2.332 50 0 FEAALO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)C(C)C)C[N@H+]1Cc1cccs1 ZINC000096165160 209128928 /nfs/dbraw/zinc/12/89/28/209128928.db2.gz PLECVQYZVFERLK-HOCLYGCPSA-N 1 2 351.516 2.332 50 0 FEAALO Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000016028766 220176439 /nfs/dbraw/zinc/17/64/39/220176439.db2.gz BCZLFXPQOLECOB-UHFFFAOYSA-N 1 2 373.478 2.183 50 0 FEAALO C[C@H](NS(=O)(=O)c1ccccc1F)C1([NH+]2CCOCC2)CCCC1 ZINC000075110007 542153303 /nfs/dbraw/zinc/15/33/03/542153303.db2.gz ARLKJGSVQXQXAC-AWEZNQCLSA-N 1 2 356.463 2.138 50 0 FEAALO N=c1n(CC[NH+]2CCOCC2)c2ccccc2n1C[C@@H](O)c1cccs1 ZINC000004663509 207035961 /nfs/dbraw/zinc/03/59/61/207035961.db2.gz BIAVGEKNBAOSSE-QGZVFWFLSA-N 1 2 372.494 2.050 50 0 FEAALO Cc1c(C)c2ccc(OCC(=O)NCCCn3cc[nH+]c3)cc2oc1=O ZINC000005207232 207087390 /nfs/dbraw/zinc/08/73/90/207087390.db2.gz AEZQHJXMZOLDDE-UHFFFAOYSA-N 1 2 355.394 2.192 50 0 FEAALO COc1ccc(/C=C/C(=O)NCCC2=CSC3=[NH+]CCN23)cc1OC ZINC000005451747 207100551 /nfs/dbraw/zinc/10/05/51/207100551.db2.gz UXIKYFJQSJXRFK-GQCTYLIASA-N 1 2 359.451 2.483 50 0 FEAALO CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000007138192 207188210 /nfs/dbraw/zinc/18/82/10/207188210.db2.gz OATXAVFMEYIHMC-INIZCTEOSA-N 1 2 356.451 2.467 50 0 FEAALO C[C@@H](NC(=O)Cn1c(=O)cnc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007983502 207213758 /nfs/dbraw/zinc/21/37/58/207213758.db2.gz CGJVZANXNCADKI-OAHLLOKOSA-N 1 2 373.416 2.460 50 0 FEAALO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000008325781 207229042 /nfs/dbraw/zinc/22/90/42/207229042.db2.gz WZJBFRTVGYWLQH-AWEZNQCLSA-N 1 2 372.494 2.450 50 0 FEAALO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000008325781 207229046 /nfs/dbraw/zinc/22/90/46/207229046.db2.gz WZJBFRTVGYWLQH-AWEZNQCLSA-N 1 2 372.494 2.450 50 0 FEAALO CCOc1cc(S(=O)(=O)NCCCn2cc[nH+]c2)c(OCC)cc1C ZINC000008714996 207244202 /nfs/dbraw/zinc/24/42/02/207244202.db2.gz IPZKBMKBCKIDLW-UHFFFAOYSA-N 1 2 367.471 2.358 50 0 FEAALO CC[C@H]1C[N@H+](CC(=O)NCCc2cccnc2)Cc2cc(OC)ccc2O1 ZINC000012247714 207351494 /nfs/dbraw/zinc/35/14/94/207351494.db2.gz MADGVSFIFCOLFN-SFHVURJKSA-N 1 2 369.465 2.422 50 0 FEAALO CC[C@H]1C[N@@H+](CC(=O)NCCc2cccnc2)Cc2cc(OC)ccc2O1 ZINC000012247714 207351498 /nfs/dbraw/zinc/35/14/98/207351498.db2.gz MADGVSFIFCOLFN-SFHVURJKSA-N 1 2 369.465 2.422 50 0 FEAALO CCCCN(Cc1ccccc1)C(=O)Cn1nnnc1C[N@H+](C)C(C)C ZINC000012459400 207380620 /nfs/dbraw/zinc/38/06/20/207380620.db2.gz VQIVYSLYHZGUFH-UHFFFAOYSA-N 1 2 358.490 2.342 50 0 FEAALO CCCCN(Cc1ccccc1)C(=O)Cn1nnnc1C[N@@H+](C)C(C)C ZINC000012459400 207380626 /nfs/dbraw/zinc/38/06/26/207380626.db2.gz VQIVYSLYHZGUFH-UHFFFAOYSA-N 1 2 358.490 2.342 50 0 FEAALO O=C1CCCN1C[C@H]1CCC[N@H+](Cc2nc(COc3ccccc3)no2)C1 ZINC000012580864 207398396 /nfs/dbraw/zinc/39/83/96/207398396.db2.gz 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ZINC000033040185 208068296 /nfs/dbraw/zinc/06/82/96/208068296.db2.gz HWCZDAUXYPIGGN-FUHWJXTLSA-N 1 2 374.462 2.152 50 0 FEAALO COCC[NH+]1CCN(C(=O)c2csc(-c3cccc(OC)c3)n2)CC1 ZINC000034717376 208107689 /nfs/dbraw/zinc/10/76/89/208107689.db2.gz XEBGXXFICBEPPH-UHFFFAOYSA-N 1 2 361.467 2.223 50 0 FEAALO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccco1 ZINC000047031458 208373451 /nfs/dbraw/zinc/37/34/51/208373451.db2.gz LDOSZHARRQTMBC-CQSZACIVSA-N 1 2 366.439 2.022 50 0 FEAALO O=C1CC[C@]2(CCC[N@H+](Cc3c(F)cc(F)cc3F)C2)CN1CCO ZINC000077354636 542371432 /nfs/dbraw/zinc/37/14/32/542371432.db2.gz XINLDCWEUBLRFM-SFHVURJKSA-N 1 2 356.388 2.301 50 0 FEAALO O=C1CC[C@]2(CCC[N@@H+](Cc3c(F)cc(F)cc3F)C2)CN1CCO ZINC000077354636 542371434 /nfs/dbraw/zinc/37/14/34/542371434.db2.gz XINLDCWEUBLRFM-SFHVURJKSA-N 1 2 356.388 2.301 50 0 FEAALO COCCN1C[C@]2(CCC[N@H+](Cc3nc(C(C)C)no3)C2)CCC1=O ZINC000077489683 542388195 /nfs/dbraw/zinc/38/81/95/542388195.db2.gz DSDHGWYQDGNQFM-GOSISDBHSA-N 1 2 350.463 2.044 50 0 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ZINC000055270231 540641941 /nfs/dbraw/zinc/64/19/41/540641941.db2.gz SOYRQEYFNMRKOL-UHFFFAOYSA-N 1 2 353.781 2.434 50 0 FEAALO C[N@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)Cc1cccnc1 ZINC000132634828 209372954 /nfs/dbraw/zinc/37/29/54/209372954.db2.gz GWIVSXCXIIQSSX-UHFFFAOYSA-N 1 2 353.466 2.378 50 0 FEAALO C[N@@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)Cc1cccnc1 ZINC000132634828 209372956 /nfs/dbraw/zinc/37/29/56/209372956.db2.gz GWIVSXCXIIQSSX-UHFFFAOYSA-N 1 2 353.466 2.378 50 0 FEAALO O=C(NCc1cccnc1-n1cncn1)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000058379648 540841156 /nfs/dbraw/zinc/84/11/56/540841156.db2.gz RBMMGIYJSANYSW-UHFFFAOYSA-N 1 2 374.408 2.229 50 0 FEAALO O=C(NCc1ccccc1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000058159960 540830715 /nfs/dbraw/zinc/83/07/15/540830715.db2.gz LJWCGAWHBJLTPY-UHFFFAOYSA-N 1 2 369.465 2.397 50 0 FEAALO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccco1 ZINC000058173326 540831637 /nfs/dbraw/zinc/83/16/37/540831637.db2.gz DKWZGOFALUCJRE-CQSZACIVSA-N 1 2 351.447 2.275 50 0 FEAALO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCc1ccco1 ZINC000058173326 540831639 /nfs/dbraw/zinc/83/16/39/540831639.db2.gz DKWZGOFALUCJRE-CQSZACIVSA-N 1 2 351.447 2.275 50 0 FEAALO NC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000058215710 540833847 /nfs/dbraw/zinc/83/38/47/540833847.db2.gz CEPLRKFASBBRRS-UHFFFAOYSA-N 1 2 361.442 2.187 50 0 FEAALO NC(=O)C[N@H+]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000058215710 540833851 /nfs/dbraw/zinc/83/38/51/540833851.db2.gz CEPLRKFASBBRRS-UHFFFAOYSA-N 1 2 361.442 2.187 50 0 FEAALO O[C@@H](CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccc(F)cc1 ZINC000058381418 540840996 /nfs/dbraw/zinc/84/09/96/540840996.db2.gz USSSGWUGYSCAJT-SFHVURJKSA-N 1 2 358.413 2.406 50 0 FEAALO Cn1cc[nH+]c1[C@H](NC(=O)CCN1CCSC1=O)c1cccc(F)c1 ZINC000045561305 209326007 /nfs/dbraw/zinc/32/60/07/209326007.db2.gz CUHMKXFLUUAFOU-OAHLLOKOSA-N 1 2 362.430 2.324 50 0 FEAALO O=C(c1[nH]nc2ccccc21)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000060063201 540867236 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CCn1cc(CN2CCc3[nH+]c[nH]c3[C@H]2c2cccn2-c2ncccn2)cn1 ZINC000067786402 541513436 /nfs/dbraw/zinc/51/34/36/541513436.db2.gz OYBYKSGYFXDPFW-LJQANCHMSA-N 1 2 374.452 2.355 50 0 FEAALO O=C(c1cc(C[NH+]2CCC(O)CC2)on1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000067833579 541518779 /nfs/dbraw/zinc/51/87/79/541518779.db2.gz DWSTYVZJCIFTGH-OAHLLOKOSA-N 1 2 373.428 2.400 50 0 FEAALO Cc1c(C[N@@H+](Cc2nccn2C)C2CC2)c(=O)n(-c2ccccc2)n1C ZINC000097744691 209194512 /nfs/dbraw/zinc/19/45/12/209194512.db2.gz JTLNXYZFUVUUMY-UHFFFAOYSA-N 1 2 351.454 2.383 50 0 FEAALO Cc1c(C[N@H+](Cc2nccn2C)C2CC2)c(=O)n(-c2ccccc2)n1C ZINC000097744691 209194515 /nfs/dbraw/zinc/19/45/15/209194515.db2.gz JTLNXYZFUVUUMY-UHFFFAOYSA-N 1 2 351.454 2.383 50 0 FEAALO O=C(c1ccnc(-n2cnnc2)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000097594779 209187820 /nfs/dbraw/zinc/18/78/20/209187820.db2.gz LITGYZUAGKKQAV-QPJJXVBHSA-N 1 2 374.448 2.134 50 0 FEAALO O=S1(=O)CC[C@H](Cn2cc[nH+]c2-c2cc3c(cc2Cl)OCO3)C1 ZINC000071763356 541771172 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FEAALO Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCCN(C(=O)c2ccc(O)cc2)C1 ZINC000072447461 541816136 /nfs/dbraw/zinc/81/61/36/541816136.db2.gz LBOZLNXXWSCMKW-INIZCTEOSA-N 1 2 369.469 2.136 50 0 FEAALO COc1cccc2ccc(C[N@@H+]3CCOC[C@H]3CC(=O)N3CC=CC3)nc21 ZINC000072479006 541820745 /nfs/dbraw/zinc/82/07/45/541820745.db2.gz PPBZJVMWCXGJKU-GOSISDBHSA-N 1 2 367.449 2.233 50 0 FEAALO COc1cccc2ccc(C[N@H+]3CCOC[C@H]3CC(=O)N3CC=CC3)nc21 ZINC000072479006 541820748 /nfs/dbraw/zinc/82/07/48/541820748.db2.gz PPBZJVMWCXGJKU-GOSISDBHSA-N 1 2 367.449 2.233 50 0 FEAALO FC(F)(F)c1nnc(N2CC[NH+](Cc3cccc4nonc43)CC2)s1 ZINC000097301385 209177188 /nfs/dbraw/zinc/17/71/88/209177188.db2.gz MZSLDHRJKFRUOG-UHFFFAOYSA-N 1 2 370.360 2.415 50 0 FEAALO CSc1nn(C)c2nc[nH+]c(NCC[S@](=O)Cc3ccccc3)c12 ZINC000097020959 209166366 /nfs/dbraw/zinc/16/63/66/209166366.db2.gz LJRDCZCOVWLSBT-XMMPIXPASA-N 1 2 361.496 2.446 50 0 FEAALO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CCn1c(CO)nc2ccccc21 ZINC000096141454 209120881 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FEAALO Cc1noc(C)c1S(=O)(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000012531951 207388104 /nfs/dbraw/zinc/38/81/04/207388104.db2.gz NZFAWJXRURQXJX-AWEZNQCLSA-N 1 2 364.402 2.232 50 0 FEAALO O=C(c1ccc(-n2ccnc2)cc1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000077300099 542363293 /nfs/dbraw/zinc/36/32/93/542363293.db2.gz FBTBQLAABZKLIQ-IBGZPJMESA-N 1 2 354.454 2.199 50 0 FEAALO Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c(C)c1 ZINC000023387628 207844737 /nfs/dbraw/zinc/84/47/37/207844737.db2.gz ZSOKFXKYHMZWNR-IBGZPJMESA-N 1 2 374.506 2.343 50 0 FEAALO O=C(Cc1ccc(O)c(Cl)c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000077300987 542363753 /nfs/dbraw/zinc/36/37/53/542363753.db2.gz PCVUBMHBAAUFNU-OAHLLOKOSA-N 1 2 352.862 2.301 50 0 FEAALO CCc1noc(C[NH+]2CCC(C(=O)N3CCc4ccccc4C3)CC2)n1 ZINC000032804164 208045287 /nfs/dbraw/zinc/04/52/87/208045287.db2.gz ISPSYWOGIKTVAQ-UHFFFAOYSA-N 1 2 354.454 2.429 50 0 FEAALO COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H](C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000035999878 208139513 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FEAALO O=C(CCOc1ccccc1)NCc1ccc[nH+]c1N1CCC[C@H](O)C1 ZINC000012429678 539559416 /nfs/dbraw/zinc/55/94/16/539559416.db2.gz HEFNKNCRCKRKOD-KRWDZBQOSA-N 1 2 355.438 2.128 50 0 FEAALO FC(F)(F)c1nnc2ccc(Nc3ccc(N4CCOCC4)[nH+]c3)nn21 ZINC000012924392 539579730 /nfs/dbraw/zinc/57/97/30/539579730.db2.gz ZJJOHZLMVWUTMX-UHFFFAOYSA-N 1 2 365.319 2.118 50 0 FEAALO CCOc1ccc(NC(=O)[C@H]2CC(=O)NC(N3C[C@H](C)C[C@H](C)C3)=[NH+]2)cc1 ZINC000013838304 539592203 /nfs/dbraw/zinc/59/22/03/539592203.db2.gz DKBFSGDYULSANX-JKIFEVAISA-N 1 2 372.469 2.246 50 0 FEAALO Cn1cc(C[N@@H+]2C[C@H]3OC(=O)N(CCCc4ccc(F)cc4)[C@H]3C2)cn1 ZINC000014952020 539607819 /nfs/dbraw/zinc/60/78/19/539607819.db2.gz YAQKIRQPQLIBHI-ZWKOTPCHSA-N 1 2 358.417 2.197 50 0 FEAALO Cn1cc(C[N@H+]2C[C@H]3OC(=O)N(CCCc4ccc(F)cc4)[C@H]3C2)cn1 ZINC000014952020 539607821 /nfs/dbraw/zinc/60/78/21/539607821.db2.gz YAQKIRQPQLIBHI-ZWKOTPCHSA-N 1 2 358.417 2.197 50 0 FEAALO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1cc(Br)ccc1OC ZINC000015444120 539618036 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CCOC(=O)N1CC[NH+](C[C@@H](O)COc2c(C)cc(C)cc2C)CC1 ZINC000019867171 539670543 /nfs/dbraw/zinc/67/05/43/539670543.db2.gz OBLWGWFEQVVMQU-QGZVFWFLSA-N 1 2 350.459 2.126 50 0 FEAALO Cc1ccc(S(=O)(=O)N2CC[NH+](Cn3cnc4ccccc43)CC2)cc1 ZINC000019908965 539670833 /nfs/dbraw/zinc/67/08/33/539670833.db2.gz WSQUSIHWRZTCSS-UHFFFAOYSA-N 1 2 370.478 2.309 50 0 FEAALO Cc1cccc(C)c1-n1nnnc1C1([NH+]2CCN(N=O)CC2)CCCC1 ZINC000020789974 539677587 /nfs/dbraw/zinc/67/75/87/539677587.db2.gz APFALUBNEFASFU-UHFFFAOYSA-N 1 2 355.446 2.347 50 0 FEAALO CCOC(=O)c1c(C)oc2ncnc(N3CCN(c4cccc[nH+]4)CC3)c21 ZINC000021531610 539684481 /nfs/dbraw/zinc/68/44/81/539684481.db2.gz OSOURVMVIMBARY-UHFFFAOYSA-N 1 2 367.409 2.430 50 0 FEAALO CCOC(=O)C[C@H]1COCC[N@@H+]1Cc1cn(C)nc1-c1ccccc1F ZINC000020999386 539679128 /nfs/dbraw/zinc/67/91/28/539679128.db2.gz OEZMKYBNUFEDSN-HNNXBMFYSA-N 1 2 361.417 2.380 50 0 FEAALO CCOC(=O)C[C@H]1COCC[N@H+]1Cc1cn(C)nc1-c1ccccc1F ZINC000020999386 539679131 /nfs/dbraw/zinc/67/91/31/539679131.db2.gz 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ZINC000023147663 539707834 /nfs/dbraw/zinc/70/78/34/539707834.db2.gz MNCDCLFAJYSODU-GOSISDBHSA-N 1 2 373.403 2.386 50 0 FEAALO C[C@H]1C[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)C[C@H](C)O1 ZINC000023584719 539716524 /nfs/dbraw/zinc/71/65/24/539716524.db2.gz PGGKZHNTPAVIAU-QWRGUYRKSA-N 1 2 352.232 2.066 50 0 FEAALO Cc1n[nH]c(C)c1CCC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000023673247 539718589 /nfs/dbraw/zinc/71/85/89/539718589.db2.gz ISHMIPBOTZKZNI-UHFFFAOYSA-N 1 2 356.470 2.182 50 0 FEAALO O=C(C[NH+]1CCN(c2cnc3ccccc3n2)CC1)N1CCCCCC1 ZINC000026137619 539778369 /nfs/dbraw/zinc/77/83/69/539778369.db2.gz IIKIKIQBHYWOQQ-UHFFFAOYSA-N 1 2 353.470 2.154 50 0 FEAALO Cc1nn(C)c2nc(C)cc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)c12 ZINC000027989069 539822215 /nfs/dbraw/zinc/82/22/15/539822215.db2.gz HVBYNEFZRWNOSV-UHFFFAOYSA-N 1 2 356.455 2.282 50 0 FEAALO Cc1nn(C)c2nc(C)cc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)c12 ZINC000027989069 539822219 /nfs/dbraw/zinc/82/22/19/539822219.db2.gz HVBYNEFZRWNOSV-UHFFFAOYSA-N 1 2 356.455 2.282 50 0 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Brc1ccc(C[NH+]2CC(c3nc(-c4ncccn4)no3)C2)o1 ZINC000049483067 209334615 /nfs/dbraw/zinc/33/46/15/209334615.db2.gz KECTVCUXOGZEDS-UHFFFAOYSA-N 1 2 362.187 2.482 50 0 FEAALO CC(C)c1ccc(C(=O)N2CC[NH+](Cc3ccc(=O)n(C)c3)CC2)cc1 ZINC000065285909 541232798 /nfs/dbraw/zinc/23/27/98/541232798.db2.gz OTTNNDZWRMKTRB-UHFFFAOYSA-N 1 2 353.466 2.467 50 0 FEAALO COc1cc(NC(=O)C[NH+]2CCC(O)(c3ccccn3)CC2)cc(OC)c1 ZINC000065393880 541235854 /nfs/dbraw/zinc/23/58/54/541235854.db2.gz AJCBEKUYABJZEM-UHFFFAOYSA-N 1 2 371.437 2.021 50 0 FEAALO O=C(c1cc2n(n1)CCC[N@H+](C/C=C/c1ccccc1)C2)N1CCOCC1 ZINC000065397817 541236256 /nfs/dbraw/zinc/23/62/56/541236256.db2.gz DMWLOBFOWLZDHS-XBXARRHUSA-N 1 2 366.465 2.275 50 0 FEAALO O=C(c1cc2n(n1)CCC[N@@H+](C/C=C/c1ccccc1)C2)N1CCOCC1 ZINC000065397817 541236259 /nfs/dbraw/zinc/23/62/59/541236259.db2.gz DMWLOBFOWLZDHS-XBXARRHUSA-N 1 2 366.465 2.275 50 0 FEAALO CN(Cc1[nH+]ccn1C)C(=O)c1coc(CN2CCc3ccccc3C2)n1 ZINC000067872952 541523410 /nfs/dbraw/zinc/52/34/10/541523410.db2.gz ARUWUJARLUWQFD-UHFFFAOYSA-N 1 2 365.437 2.239 50 0 FEAALO CN(Cc1nc2ccc(Cl)cc2[nH]1)c1nc(N2CC[C@H](O)C2)cc[nH+]1 ZINC000067878160 541524247 /nfs/dbraw/zinc/52/42/47/541524247.db2.gz DWPGXAQLTIUPSN-LBPRGKRZSA-N 1 2 358.833 2.214 50 0 FEAALO CCCNC(=O)c1ccc(NCc2ccc[nH+]c2N2CCOCC2)nc1 ZINC000067921423 541528399 /nfs/dbraw/zinc/52/83/99/541528399.db2.gz KGWPYVJGCSYQLN-UHFFFAOYSA-N 1 2 355.442 2.065 50 0 FEAALO O=C(CCCn1nnc(-c2ccc(F)cc2)n1)Nc1c[nH+]c2n1CCCC2 ZINC000067974480 541534315 /nfs/dbraw/zinc/53/43/15/541534315.db2.gz DPFXSSUONBYDIP-UHFFFAOYSA-N 1 2 369.404 2.431 50 0 FEAALO Cc1nonc1[C@H]1CCC[N@H+]1Cc1cccc(C(=O)Nc2cn(C)nn2)c1 ZINC000067982505 541534966 /nfs/dbraw/zinc/53/49/66/541534966.db2.gz IKXSJAUVNYZNED-OAHLLOKOSA-N 1 2 367.413 2.096 50 0 FEAALO Cc1nonc1[C@H]1CCC[N@@H+]1Cc1cccc(C(=O)Nc2cn(C)nn2)c1 ZINC000067982505 541534968 /nfs/dbraw/zinc/53/49/68/541534968.db2.gz IKXSJAUVNYZNED-OAHLLOKOSA-N 1 2 367.413 2.096 50 0 FEAALO CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cnn(-c3ccccc3F)c2)C1 ZINC000097775574 209197464 /nfs/dbraw/zinc/19/74/64/209197464.db2.gz ZGANEJZDRQKIOJ-AWEZNQCLSA-N 1 2 351.447 2.268 50 0 FEAALO CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3F)c2)C1 ZINC000097775574 209197467 /nfs/dbraw/zinc/19/74/67/209197467.db2.gz ZGANEJZDRQKIOJ-AWEZNQCLSA-N 1 2 351.447 2.268 50 0 FEAALO Cc1c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)sc2[nH]cnc(=O)c12 ZINC000097475386 209183043 /nfs/dbraw/zinc/18/30/43/209183043.db2.gz SMGMGBKBJPIKDD-GFCCVEGCSA-N 1 2 372.450 2.453 50 0 FEAALO Cc1nc(N(C)C)ncc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000097475011 209182790 /nfs/dbraw/zinc/18/27/90/209182790.db2.gz OYRSBAKPGLTBKU-JXMROGBWSA-N 1 2 365.481 2.322 50 0 FEAALO COc1ccc(CC(=O)N2CC[NH+](CCC(=O)OC(C)(C)C)CC2)cc1 ZINC000069020475 541648853 /nfs/dbraw/zinc/64/88/53/541648853.db2.gz FAWDVOYMKNPDJP-UHFFFAOYSA-N 1 2 362.470 2.114 50 0 FEAALO CCOc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)NC2CCCCC2)cc1 ZINC000072153002 541790809 /nfs/dbraw/zinc/79/08/09/541790809.db2.gz MOUOESHQFACMGH-IBGZPJMESA-N 1 2 373.497 2.225 50 0 FEAALO CCOc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)NC2CCCCC2)cc1 ZINC000072153002 541790812 /nfs/dbraw/zinc/79/08/12/541790812.db2.gz MOUOESHQFACMGH-IBGZPJMESA-N 1 2 373.497 2.225 50 0 FEAALO O=C([O-])[C@]12CCC[NH2+][C@@H]1CC[N@H+](Cc1ccc3c(c1)OC(F)(F)O3)C2 ZINC000072161882 541792174 /nfs/dbraw/zinc/79/21/74/541792174.db2.gz IRXNXAWEJSADON-ZBFHGGJFSA-N 1 2 354.353 2.037 50 0 FEAALO O=C([O-])[C@]12CCC[NH2+][C@@H]1CC[N@@H+](Cc1ccc3c(c1)OC(F)(F)O3)C2 ZINC000072161882 541792176 /nfs/dbraw/zinc/79/21/76/541792176.db2.gz IRXNXAWEJSADON-ZBFHGGJFSA-N 1 2 354.353 2.037 50 0 FEAALO O=C([O-])CCc1cc2n(n1)CCC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000072423396 541809946 /nfs/dbraw/zinc/80/99/46/541809946.db2.gz KMBMXLRZUZULRB-UHFFFAOYSA-N 1 2 365.437 2.492 50 0 FEAALO O=C([O-])CCc1cc2n(n1)CCC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000072423396 541809950 /nfs/dbraw/zinc/80/99/50/541809950.db2.gz KMBMXLRZUZULRB-UHFFFAOYSA-N 1 2 365.437 2.492 50 0 FEAALO CN1C(=O)CC[C@H]1Cn1ccnc1-c1cccc(C[NH+]2CCOCC2)c1 ZINC000072428841 541811611 /nfs/dbraw/zinc/81/16/11/541811611.db2.gz SQOHNNVFCMOPLP-SFHVURJKSA-N 1 2 354.454 2.003 50 0 FEAALO CCc1ccccc1C[N@@H+]1CCN(CC=C(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000072463415 541817599 /nfs/dbraw/zinc/81/75/99/541817599.db2.gz TXFRNCLXLAPUMS-UXHICEINSA-N 1 2 362.539 2.498 50 0 FEAALO CCc1ccccc1C[N@H+]1CCN(CC=C(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000072463415 541817603 /nfs/dbraw/zinc/81/76/03/541817603.db2.gz TXFRNCLXLAPUMS-UXHICEINSA-N 1 2 362.539 2.498 50 0 FEAALO O=C(c1[nH]nc2ccccc21)N1CC[N@H+](Cc2ccccc2)[C@@H](CCO)C1 ZINC000072447764 541816107 /nfs/dbraw/zinc/81/61/07/541816107.db2.gz FBRQNMPQFZADLE-KRWDZBQOSA-N 1 2 364.449 2.272 50 0 FEAALO O=C(c1[nH]nc2ccccc21)N1CC[N@@H+](Cc2ccccc2)[C@@H](CCO)C1 ZINC000072447764 541816110 /nfs/dbraw/zinc/81/61/10/541816110.db2.gz FBRQNMPQFZADLE-KRWDZBQOSA-N 1 2 364.449 2.272 50 0 FEAALO CN1C[C@]2(CC[N@H+](Cc3cnc(NCc4ccccc4)nc3)C2)OC1=O ZINC000072480176 541821235 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2.404 50 0 FEAALO CCCN(Cc1[nH+]ccn1C)C(=O)c1ccc(C)c(N2CCNC2=O)c1 ZINC000096141944 209122486 /nfs/dbraw/zinc/12/24/86/209122486.db2.gz QANYSFQEIRIVOO-UHFFFAOYSA-N 1 2 355.442 2.311 50 0 FEAALO C[N@@H+]1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(S)n32)C1 ZINC000004615270 207032450 /nfs/dbraw/zinc/03/24/50/207032450.db2.gz HMFCECSOZYWREN-UHFFFAOYSA-N 1 2 369.475 2.372 50 0 FEAALO C[N@H+]1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(S)n32)C1 ZINC000004615270 207032454 /nfs/dbraw/zinc/03/24/54/207032454.db2.gz HMFCECSOZYWREN-UHFFFAOYSA-N 1 2 369.475 2.372 50 0 FEAALO Cc1c(O)ccc2c(C)c(CCC(=O)NCCCn3cc[nH+]c3)c(=O)oc12 ZINC000005207770 207087837 /nfs/dbraw/zinc/08/78/37/207087837.db2.gz HAFSOPMHURSJBM-UHFFFAOYSA-N 1 2 369.421 2.451 50 0 FEAALO NC(=O)C1CC[NH+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000006701545 207156431 /nfs/dbraw/zinc/15/64/31/207156431.db2.gz LJPVKXMWMPIKFA-UHFFFAOYSA-N 1 2 363.767 2.495 50 0 FEAALO C[C@H](NC(=O)Cn1c(=O)cnc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007983498 207213261 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C[N@H+](CC(=O)N1CCO[C@@H](CCc2ccccc2)C1)Cc1ccccn1 ZINC000012387822 207370003 /nfs/dbraw/zinc/37/00/03/207370003.db2.gz GTZLIBZTOYCGKC-FQEVSTJZSA-N 1 2 353.466 2.374 50 0 FEAALO C[N@@H+](CC(=O)N1CCO[C@@H](CCc2ccccc2)C1)Cc1ccccn1 ZINC000012387822 207370009 /nfs/dbraw/zinc/37/00/09/207370009.db2.gz GTZLIBZTOYCGKC-FQEVSTJZSA-N 1 2 353.466 2.374 50 0 FEAALO O=C(Cc1ccc(O)c(Cl)c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000077300991 542363416 /nfs/dbraw/zinc/36/34/16/542363416.db2.gz PCVUBMHBAAUFNU-HNNXBMFYSA-N 1 2 352.862 2.301 50 0 FEAALO O=C(c1ccc(N2CCCC2=O)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000023800900 207856750 /nfs/dbraw/zinc/85/67/50/207856750.db2.gz IWCCNMNJGPCLHN-UHFFFAOYSA-N 1 2 364.449 2.166 50 0 FEAALO COC(=O)c1cccc(NC(=O)C[N@H+](C)C[C@@H]2COc3ccccc3O2)c1 ZINC000031183546 208010151 /nfs/dbraw/zinc/01/01/51/208010151.db2.gz SOZMTNFURVZVBM-MRXNPFEDSA-N 1 2 370.405 2.184 50 0 FEAALO COC(=O)c1cccc(NC(=O)C[N@@H+](C)C[C@@H]2COc3ccccc3O2)c1 ZINC000031183546 208010155 /nfs/dbraw/zinc/01/01/55/208010155.db2.gz SOZMTNFURVZVBM-MRXNPFEDSA-N 1 2 370.405 2.184 50 0 FEAALO Cc1nc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)nn1-c1ccc(F)cc1 ZINC000032808653 208045914 /nfs/dbraw/zinc/04/59/14/208045914.db2.gz RIEKLYSUKWUGBQ-UHFFFAOYSA-N 1 2 372.429 2.412 50 0 FEAALO Cc1nc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)nn1-c1ccc(F)cc1 ZINC000032808653 208045916 /nfs/dbraw/zinc/04/59/16/208045916.db2.gz RIEKLYSUKWUGBQ-UHFFFAOYSA-N 1 2 372.429 2.412 50 0 FEAALO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC000032928288 208058938 /nfs/dbraw/zinc/05/89/38/208058938.db2.gz BKSWYQTUCHAZMB-NSHDSACASA-N 1 2 365.231 2.270 50 0 FEAALO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)NC(=O)NC1CCCCC1 ZINC000034889791 208114203 /nfs/dbraw/zinc/11/42/03/208114203.db2.gz BBLVVDADUVEZKT-UHFFFAOYSA-N 1 2 362.449 2.106 50 0 FEAALO COc1cc(-c2noc(C[N@@H+]3CCC[C@H](O)C3)n2)ccc1OC(F)F ZINC000039985813 208216524 /nfs/dbraw/zinc/21/65/24/208216524.db2.gz XWDWXQHHCFBHGS-NSHDSACASA-N 1 2 355.341 2.303 50 0 FEAALO COc1cc(-c2noc(C[N@H+]3CCC[C@H](O)C3)n2)ccc1OC(F)F ZINC000039985813 208216528 /nfs/dbraw/zinc/21/65/28/208216528.db2.gz XWDWXQHHCFBHGS-NSHDSACASA-N 1 2 355.341 2.303 50 0 FEAALO O=S1(=O)N=C(NCc2ccc(Cn3cc[nH+]c3)cc2)c2ccccc21 ZINC000040067673 208220315 /nfs/dbraw/zinc/22/03/15/208220315.db2.gz FCLHKCULHWYHOK-UHFFFAOYSA-N 1 2 352.419 2.170 50 0 FEAALO CCCS(=O)(=O)NC1CC[NH+]([C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000040091291 208225157 /nfs/dbraw/zinc/22/51/57/208225157.db2.gz QGAVVUKUBJTGSE-LBPRGKRZSA-N 1 2 358.508 2.222 50 0 FEAALO CC[NH+]1CCN(S(=O)(=O)c2cc(Br)c(C)cc2C)CC1 ZINC000041091676 208280643 /nfs/dbraw/zinc/28/06/43/208280643.db2.gz HCRLEAJTODKEAO-UHFFFAOYSA-N 1 2 361.305 2.392 50 0 FEAALO Cn1c(C[NH+](C)C)nnc1C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000077388648 542376685 /nfs/dbraw/zinc/37/66/85/542376685.db2.gz LCTJTDWAOCXBLQ-UHFFFAOYSA-N 1 2 357.458 2.393 50 0 FEAALO Cn1c(C[NH+]2CCCC2)nnc1C1CCN(C(=O)Cc2ccccc2)CC1 ZINC000077538090 542394380 /nfs/dbraw/zinc/39/43/80/542394380.db2.gz 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O=C(NCc1cn2ccccc2[nH+]1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000022024434 207794423 /nfs/dbraw/zinc/79/44/23/207794423.db2.gz VLAMMYGAWOFZOH-CYBMUJFWSA-N 1 2 352.369 2.143 50 0 FEAALO Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000039983752 207953512 /nfs/dbraw/zinc/95/35/12/207953512.db2.gz XRGRBJKTLJQXJA-UHFFFAOYSA-N 1 2 366.421 2.091 50 0 FEAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1ccccc1 ZINC000032830670 208047862 /nfs/dbraw/zinc/04/78/62/208047862.db2.gz UXIJEYJUZBUJTC-QGZVFWFLSA-N 1 2 363.421 2.108 50 0 FEAALO CCOC(=O)CN1CC[NH+](Cc2cc(=O)oc3ccc(CC)cc23)CC1 ZINC000033088045 208071019 /nfs/dbraw/zinc/07/10/19/208071019.db2.gz ZFHRCIGEHUNIMO-UHFFFAOYSA-N 1 2 358.438 2.036 50 0 FEAALO O=C(COc1ccc2c(c1)CCC2)N1CC[NH+](Cc2ccccn2)CC1 ZINC000033237128 208076667 /nfs/dbraw/zinc/07/66/67/208076667.db2.gz HOQTVPNURVKNBU-UHFFFAOYSA-N 1 2 351.450 2.294 50 0 FEAALO COc1ccc(S(=O)(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000035804722 208135412 /nfs/dbraw/zinc/13/54/12/208135412.db2.gz 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ZINC000019773990 220297398 /nfs/dbraw/zinc/29/73/98/220297398.db2.gz YRVRPKJQHPYKSY-UHFFFAOYSA-N 1 2 354.406 2.382 50 0 FEAALO COc1cccc(NC(=O)N2CCC(c3nnc(C[NH+](C)C)n3C)CC2)c1 ZINC000077392210 542377377 /nfs/dbraw/zinc/37/73/77/542377377.db2.gz ZDXFDCZWTCIEEU-UHFFFAOYSA-N 1 2 372.473 2.297 50 0 FEAALO O=C(C[N@@H+]1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1)Nc1nccs1 ZINC000072150901 208811525 /nfs/dbraw/zinc/81/15/25/208811525.db2.gz SQXGBNOFGFXRDX-AWEZNQCLSA-N 1 2 374.466 2.429 50 0 FEAALO O=C(C[N@H+]1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1)Nc1nccs1 ZINC000072150901 208811529 /nfs/dbraw/zinc/81/15/29/208811529.db2.gz SQXGBNOFGFXRDX-AWEZNQCLSA-N 1 2 374.466 2.429 50 0 FEAALO CCn1cc[nH+]c1C1CCN(C(=O)c2nc(N)nc3c2CCCC3)CC1 ZINC000091877008 209002462 /nfs/dbraw/zinc/00/24/62/209002462.db2.gz OFEPYWWDSWYQEP-UHFFFAOYSA-N 1 2 354.458 2.174 50 0 FEAALO O=C(Cc1cnc2ccccn12)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000091915421 209005573 /nfs/dbraw/zinc/00/55/73/209005573.db2.gz ILCBEMOWEUSVSJ-UHFFFAOYSA-N 1 2 364.449 2.100 50 0 FEAALO COC(=O)CC[N@@H+]1CCN(C(=O)c2csc(-c3ccoc3)n2)C[C@H]1C ZINC000095992835 209093122 /nfs/dbraw/zinc/09/31/22/209093122.db2.gz AKGASLTZIWSEHR-GFCCVEGCSA-N 1 2 363.439 2.113 50 0 FEAALO COC(=O)CC[N@H+]1CCN(C(=O)c2csc(-c3ccoc3)n2)C[C@H]1C ZINC000095992835 209093126 /nfs/dbraw/zinc/09/31/26/209093126.db2.gz AKGASLTZIWSEHR-GFCCVEGCSA-N 1 2 363.439 2.113 50 0 FEAALO CCn1c(Cn2cc[nH+]c2)nnc1C1CCN(C(=O)CCSC)CC1 ZINC000091950684 209006822 /nfs/dbraw/zinc/00/68/22/209006822.db2.gz YAAUJDSTOHJBNP-UHFFFAOYSA-N 1 2 362.503 2.002 50 0 FEAALO Cn1cc[nH+]c1C1CCN(C(=O)[C@@H]2CC(=O)Nc3ccc(F)cc32)CC1 ZINC000091966408 209008050 /nfs/dbraw/zinc/00/80/50/209008050.db2.gz MOLZOQDHYINUFR-OAHLLOKOSA-N 1 2 356.401 2.391 50 0 FEAALO CCCCn1cc[nH+]c1C1CCN(C(=O)Cc2cnc(C)[nH]c2=O)CC1 ZINC000092065812 209015871 /nfs/dbraw/zinc/01/58/71/209015871.db2.gz MXZCXZNLTGJXNQ-UHFFFAOYSA-N 1 2 357.458 2.024 50 0 FEAALO Cc1ccc(Cl)c([C@@H](C(=O)[O-])N2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000095389131 209046526 /nfs/dbraw/zinc/04/65/26/209046526.db2.gz NTPMSESWTSMIGN-SFHVURJKSA-N 1 2 365.905 2.486 50 0 FEAALO CSCc1noc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CCC2)n1 ZINC000095370748 209032211 /nfs/dbraw/zinc/03/22/11/209032211.db2.gz VJSAIKPJLCKSCG-UONOGXRCSA-N 1 2 350.488 2.156 50 0 FEAALO CSCc1noc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CCC2)n1 ZINC000095370748 209032212 /nfs/dbraw/zinc/03/22/12/209032212.db2.gz VJSAIKPJLCKSCG-UONOGXRCSA-N 1 2 350.488 2.156 50 0 FEAALO CN(Cc1nc(-c2ccncc2)no1)C(=O)[C@H]1Cc2ccccc2C[N@@H+]1C ZINC000095368177 209033066 /nfs/dbraw/zinc/03/30/66/209033066.db2.gz KJQVOJYLADORBX-QGZVFWFLSA-N 1 2 363.421 2.147 50 0 FEAALO CN(Cc1nc(-c2ccncc2)no1)C(=O)[C@H]1Cc2ccccc2C[N@H+]1C ZINC000095368177 209033068 /nfs/dbraw/zinc/03/30/68/209033068.db2.gz KJQVOJYLADORBX-QGZVFWFLSA-N 1 2 363.421 2.147 50 0 FEAALO Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCCN(C(=O)c2ccsc2)C1 ZINC000095376159 209037254 /nfs/dbraw/zinc/03/72/54/209037254.db2.gz IWZDKGAQQMMTFO-ZDUSSCGKSA-N 1 2 356.455 2.141 50 0 FEAALO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)Nc1nc(-c2cccnc2)cs1 ZINC000095405438 209049270 /nfs/dbraw/zinc/04/92/70/209049270.db2.gz SJBUVYYWCZHNMV-CQSZACIVSA-N 1 2 359.455 2.190 50 0 FEAALO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)Nc1nc(-c2cccnc2)cs1 ZINC000095405438 209049272 /nfs/dbraw/zinc/04/92/72/209049272.db2.gz SJBUVYYWCZHNMV-CQSZACIVSA-N 1 2 359.455 2.190 50 0 FEAALO COCc1cc(N[C@@H](Cc2c[nH]c[nH+]2)Cc2ccccc2)n2ncnc2n1 ZINC000095443217 209050690 /nfs/dbraw/zinc/05/06/90/209050690.db2.gz NZXBHBFGDRQFCI-OAHLLOKOSA-N 1 2 363.425 2.260 50 0 FEAALO COCc1cc(N[C@@H](Cc2c[nH+]c[nH]2)Cc2ccccc2)n2ncnc2n1 ZINC000095443217 209050691 /nfs/dbraw/zinc/05/06/91/209050691.db2.gz NZXBHBFGDRQFCI-OAHLLOKOSA-N 1 2 363.425 2.260 50 0 FEAALO CCS[C@@H](C)C(=O)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)CC ZINC000095503729 209062982 /nfs/dbraw/zinc/06/29/82/209062982.db2.gz KAEZTTXQRHTYCI-ZDUSSCGKSA-N 1 2 364.515 2.164 50 0 FEAALO CN1CC2(CCN(c3cc(N)nc[nH+]3)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091997247 132205361 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CN1CC2(CCC1=O)CCN(C(=O)[C@@H](c1ccccc1F)[NH+](C)C)CC2 ZINC000091693851 542820424 /nfs/dbraw/zinc/82/04/24/542820424.db2.gz JVHZHLPYRTYZOD-GOSISDBHSA-N 1 2 361.461 2.289 50 0 FEAALO CN1CC2(CCC1=O)CCN(C(=O)[C@H](c1ccccc1F)[NH+](C)C)CC2 ZINC000091693853 542820464 /nfs/dbraw/zinc/82/04/64/542820464.db2.gz JVHZHLPYRTYZOD-SFHVURJKSA-N 1 2 361.461 2.289 50 0 FEAALO CC(C)(C)NC(=O)N1CCC2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)CC1 ZINC000091713510 542821342 /nfs/dbraw/zinc/82/13/42/542821342.db2.gz YQAYASRCLJQCJQ-UHFFFAOYSA-N 1 2 361.490 2.165 50 0 FEAALO CC(C)(C)NC(=O)N1CCC2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)CC1 ZINC000091713510 542821343 /nfs/dbraw/zinc/82/13/43/542821343.db2.gz YQAYASRCLJQCJQ-UHFFFAOYSA-N 1 2 361.490 2.165 50 0 FEAALO O=C(c1cnccn1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc(F)c(F)c2)C1 ZINC000091859923 542828921 /nfs/dbraw/zinc/82/89/21/542828921.db2.gz JYBLFRHMZLNUCX-HUUCEWRRSA-N 1 2 358.392 2.491 50 0 FEAALO O=C(c1cnccn1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccc(F)c(F)c2)C1 ZINC000091859923 542828925 /nfs/dbraw/zinc/82/89/25/542828925.db2.gz JYBLFRHMZLNUCX-HUUCEWRRSA-N 1 2 358.392 2.491 50 0 FEAALO COC(=O)c1ccccc1NC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000055231594 136126227 /nfs/dbraw/zinc/12/62/27/136126227.db2.gz ZYAJIEXQHNLNOT-UHFFFAOYSA-N 1 2 371.412 2.373 50 0 FEAALO CC(C)NC(=O)C[NH+]1CCN(c2ncnc3sc4c(c32)CCCC4)CC1 ZINC000057156147 136128302 /nfs/dbraw/zinc/12/83/02/136128302.db2.gz GWQNCYWKYPVUHV-UHFFFAOYSA-N 1 2 373.526 2.217 50 0 FEAALO Cc1nccc(N2CCC[C@@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)n1 ZINC000072420242 136145908 /nfs/dbraw/zinc/14/59/08/136145908.db2.gz QREJQXYCVQFKLQ-MRXNPFEDSA-N 1 2 355.490 2.283 50 0 FEAALO CC(C)[C@H](C(=O)Nc1cnn(Cc2ccncc2)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000106531470 543234533 /nfs/dbraw/zinc/23/45/33/543234533.db2.gz WVUCXHCFROEYSO-GPMSIDNRSA-N 1 2 371.485 2.399 50 0 FEAALO CC(C)[C@H](C(=O)Nc1cnn(Cc2ccncc2)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106531467 543234597 /nfs/dbraw/zinc/23/45/97/543234597.db2.gz WVUCXHCFROEYSO-JTDSTZFVSA-N 1 2 371.485 2.399 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O=C(C[N@@H+]1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1)Nc1nccs1 ZINC000072150900 541789424 /nfs/dbraw/zinc/78/94/24/541789424.db2.gz SQXGBNOFGFXRDX-CQSZACIVSA-N 1 2 374.466 2.429 50 0 FEAALO O=C(C[N@H+]1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1)Nc1nccs1 ZINC000072150900 541789428 /nfs/dbraw/zinc/78/94/28/541789428.db2.gz SQXGBNOFGFXRDX-CQSZACIVSA-N 1 2 374.466 2.429 50 0 FEAALO C[NH+](C)Cc1nc(C(=O)N2CCC3(CC2)C(=O)Nc2ccccc23)cs1 ZINC000072151210 541789529 /nfs/dbraw/zinc/78/95/29/541789529.db2.gz YIMZOFZSCSFBKQ-UHFFFAOYSA-N 1 2 370.478 2.331 50 0 FEAALO O=C(c1cccc(F)c1)N1CC[C@H]2[N@@H+](Cc3cnc[nH]3)CCC[C@]2(CO)C1 ZINC000072158024 541791820 /nfs/dbraw/zinc/79/18/20/541791820.db2.gz UBGPYKPURHADCF-UYAOXDASSA-N 1 2 372.444 2.038 50 0 FEAALO O=C(c1cccc(F)c1)N1CC[C@H]2[N@H+](Cc3cnc[nH]3)CCC[C@]2(CO)C1 ZINC000072158024 541791823 /nfs/dbraw/zinc/79/18/23/541791823.db2.gz UBGPYKPURHADCF-UYAOXDASSA-N 1 2 372.444 2.038 50 0 FEAALO COC(=O)c1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2c2ccccn2)o1 ZINC000072164569 541793482 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COc1ccc(CC(=O)NCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000016953627 220198931 /nfs/dbraw/zinc/19/89/31/220198931.db2.gz ILALQNMCMMKONG-HXUWFJFHSA-N 1 2 354.450 2.427 50 0 FEAALO COc1ccc(CC(=O)NCC[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000016953627 220198934 /nfs/dbraw/zinc/19/89/34/220198934.db2.gz ILALQNMCMMKONG-HXUWFJFHSA-N 1 2 354.450 2.427 50 0 FEAALO O=C(COc1ccc2oc3ccccc3c2c1)NCC[NH+]1CCOCC1 ZINC000023155544 211377691 /nfs/dbraw/zinc/37/76/91/211377691.db2.gz SYNHSRSTBMOYNQ-UHFFFAOYSA-N 1 2 354.406 2.413 50 0 FEAALO Cc1noc(C)c1CCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000023717323 211395833 /nfs/dbraw/zinc/39/58/33/211395833.db2.gz SVRHMOGIHBFJOH-UHFFFAOYSA-N 1 2 371.437 2.297 50 0 FEAALO O=C1C(=O)N(C[N@@H+]2CCc3ccccc3C2)C(=O)N1Cc1cccs1 ZINC000023731995 211395165 /nfs/dbraw/zinc/39/51/65/211395165.db2.gz PGLQYRKAQHAWLV-UHFFFAOYSA-N 1 2 355.419 2.055 50 0 FEAALO O=C1C(=O)N(C[N@H+]2CCc3ccccc3C2)C(=O)N1Cc1cccs1 ZINC000023731995 211395169 /nfs/dbraw/zinc/39/51/69/211395169.db2.gz 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2.013 50 0 FEAALO CC(C)(O)CCc1cccc(C(=O)N2CC[NH+](CCn3ccnc3)CC2)c1 ZINC000072418322 541808108 /nfs/dbraw/zinc/80/81/08/541808108.db2.gz GNZWOVQMAYEXNY-UHFFFAOYSA-N 1 2 370.497 2.045 50 0 FEAALO CC(C)(O)CCc1cccc(C(=O)N2CCN(CCn3cc[nH+]c3)CC2)c1 ZINC000072418322 541808112 /nfs/dbraw/zinc/80/81/12/541808112.db2.gz GNZWOVQMAYEXNY-UHFFFAOYSA-N 1 2 370.497 2.045 50 0 FEAALO O=C(CCc1cc(=O)[nH]o1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000072420367 541808960 /nfs/dbraw/zinc/80/89/60/541808960.db2.gz XXJAPRGGYHIANS-UHFFFAOYSA-N 1 2 359.470 2.426 50 0 FEAALO CCCc1cc(C(=O)N2CCC[C@@H](c3nnc(C[NH+](C)C)n3C)C2)ccn1 ZINC000072463583 541817385 /nfs/dbraw/zinc/81/73/85/541817385.db2.gz CXNFNJBCMKTYOP-MRXNPFEDSA-N 1 2 370.501 2.244 50 0 FEAALO COC(=O)N1CCCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000072463289 541817783 /nfs/dbraw/zinc/81/77/83/541817783.db2.gz KKUQWDVUJJXQIV-KRWDZBQOSA-N 1 2 363.433 2.091 50 0 FEAALO COCCCN1C[C@]2(CCC[N@H+](Cc3noc(C4CC4)n3)C2)CCC1=O ZINC000072454497 541816437 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Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)no1 ZINC000025054209 211420552 /nfs/dbraw/zinc/42/05/52/211420552.db2.gz LWRHLGXCEJYTPO-CYBMUJFWSA-N 1 2 372.425 2.366 50 0 FEAALO COc1ccc(OCC[NH+]2CCN(C(=O)Cc3c(C)noc3C)CC2)cc1 ZINC000023641221 211393721 /nfs/dbraw/zinc/39/37/21/211393721.db2.gz MYFQSNXRRGYIJK-UHFFFAOYSA-N 1 2 373.453 2.066 50 0 FEAALO Cc1csc(=O)n1CCCC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000023608753 211391820 /nfs/dbraw/zinc/39/18/20/211391820.db2.gz UWHBDABVRWCANX-UHFFFAOYSA-N 1 2 352.485 2.082 50 0 FEAALO Cc1csc(=O)n1CCCC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000023608753 211391823 /nfs/dbraw/zinc/39/18/23/211391823.db2.gz UWHBDABVRWCANX-UHFFFAOYSA-N 1 2 352.485 2.082 50 0 FEAALO Cc1cccc(OCC(=O)N2CC[NH+](CCc3ccccn3)CC2)c1C ZINC000021149688 211309384 /nfs/dbraw/zinc/30/93/84/211309384.db2.gz ZGDLVJTZSBQLIB-UHFFFAOYSA-N 1 2 353.466 2.464 50 0 FEAALO COC(CNc1nc(SC)nc2sc3c(c21)CC[N@@H+](C)C3)OC ZINC000020357504 211276514 /nfs/dbraw/zinc/27/65/14/211276514.db2.gz KXJASCAFXNJTIL-UHFFFAOYSA-N 1 2 354.501 2.432 50 0 FEAALO COC(CNc1nc(SC)nc2sc3c(c21)CC[N@H+](C)C3)OC ZINC000020357504 211276516 /nfs/dbraw/zinc/27/65/16/211276516.db2.gz KXJASCAFXNJTIL-UHFFFAOYSA-N 1 2 354.501 2.432 50 0 FEAALO CCOC(=O)C1C(C[NH+]2CCCCC2)=NC(=O)N[C@@H]1c1cccc(F)c1 ZINC000019530273 211229084 /nfs/dbraw/zinc/22/90/84/211229084.db2.gz KEEIFDHKAAPMCU-QGZVFWFLSA-N 1 2 361.417 2.483 50 0 FEAALO COc1cc(OC)c(OC)cc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000019359454 211219450 /nfs/dbraw/zinc/21/94/50/211219450.db2.gz FJTDEBGJEWLEMB-UHFFFAOYSA-N 1 2 357.454 2.425 50 0 FEAALO COc1cc(OC)c(OC)cc1C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000019359454 211219455 /nfs/dbraw/zinc/21/94/55/211219455.db2.gz FJTDEBGJEWLEMB-UHFFFAOYSA-N 1 2 357.454 2.425 50 0 FEAALO Cc1ccc(C)c(S(=O)(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000014098627 211073476 /nfs/dbraw/zinc/07/34/76/211073476.db2.gz LTBRAFNENZDLIN-HOTGVXAUSA-N 1 2 354.516 2.470 50 0 FEAALO CNC(=O)C1CC[NH+]([C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)CC1 ZINC000012997052 211016867 /nfs/dbraw/zinc/01/68/67/211016867.db2.gz CYSZNABRYINUPV-QGZVFWFLSA-N 1 2 356.426 2.121 50 0 FEAALO CC(C)C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1)[NH+]1CCOCC1 ZINC000012860950 211000464 /nfs/dbraw/zinc/00/04/64/211000464.db2.gz CPHMSTKELRDMDF-HNNXBMFYSA-N 1 2 360.907 2.365 50 0 FEAALO C[C@@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1)C(N)=O ZINC000005362628 210617563 /nfs/dbraw/zinc/61/75/63/210617563.db2.gz CJSVBUBJDURPAR-GFCCVEGCSA-N 1 2 363.462 2.358 50 0 FEAALO O=C(c1cccc(-n2cccn2)c1)N1CC[NH+](CCc2ccccn2)CC1 ZINC000077424376 542380615 /nfs/dbraw/zinc/38/06/15/542380615.db2.gz CAHQQMLJRBYTTH-UHFFFAOYSA-N 1 2 361.449 2.268 50 0 FEAALO COC(=O)c1cc2n(n1)CCC[N@H+](Cc1cccn1-c1ccccn1)C2 ZINC000065386471 221208384 /nfs/dbraw/zinc/20/83/84/221208384.db2.gz MNHUAYQUZQISAE-UHFFFAOYSA-N 1 2 351.410 2.261 50 0 FEAALO COC(=O)c1cc2n(n1)CCC[N@@H+](Cc1cccn1-c1ccccn1)C2 ZINC000065386471 221208386 /nfs/dbraw/zinc/20/83/86/221208386.db2.gz MNHUAYQUZQISAE-UHFFFAOYSA-N 1 2 351.410 2.261 50 0 FEAALO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)Cc2cccc(C(N)=O)c2)c1C ZINC000065565317 221233507 /nfs/dbraw/zinc/23/35/07/221233507.db2.gz LNYADJQDTLTXBU-ZDUSSCGKSA-N 1 2 371.437 2.220 50 0 FEAALO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)Cc2cccc(C(N)=O)c2)c1C ZINC000065565317 221233509 /nfs/dbraw/zinc/23/35/09/221233509.db2.gz LNYADJQDTLTXBU-ZDUSSCGKSA-N 1 2 371.437 2.220 50 0 FEAALO CSCCCNC(=O)[C@@H]1C[C@H](NC(=O)c2cccc(Cl)c2)C[N@@H+]1C ZINC000067788233 221286177 /nfs/dbraw/zinc/28/61/77/221286177.db2.gz FSJFXDHAUGRZRB-GJZGRUSLSA-N 1 2 369.918 2.012 50 0 FEAALO CSCCCNC(=O)[C@@H]1C[C@H](NC(=O)c2cccc(Cl)c2)C[N@H+]1C ZINC000067788233 221286181 /nfs/dbraw/zinc/28/61/81/221286181.db2.gz FSJFXDHAUGRZRB-GJZGRUSLSA-N 1 2 369.918 2.012 50 0 FEAALO C[C@H](Cc1cnccn1)NC(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000067879439 221299636 /nfs/dbraw/zinc/29/96/36/221299636.db2.gz OLXUBUKVRBQYDE-OAHLLOKOSA-N 1 2 365.437 2.458 50 0 FEAALO C[C@H](Cc1cnccn1)NC(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000067879439 221299639 /nfs/dbraw/zinc/29/96/39/221299639.db2.gz OLXUBUKVRBQYDE-OAHLLOKOSA-N 1 2 365.437 2.458 50 0 FEAALO Cc1noc(C)c1CN(C)C(=O)C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000067954718 221307548 /nfs/dbraw/zinc/30/75/48/221307548.db2.gz XAAXRIRELYFPEQ-UHFFFAOYSA-N 1 2 356.470 2.380 50 0 FEAALO O=C(COC[C@H]1CCCO1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000069229858 221322924 /nfs/dbraw/zinc/32/29/24/221322924.db2.gz FLUKSFYNNNBNBK-QGZVFWFLSA-N 1 2 352.862 2.180 50 0 FEAALO O=C(C[N@@H+]1CCc2sccc2C1)N1CCC[C@H]1C(=O)NCc1ccco1 ZINC000070448000 221332800 /nfs/dbraw/zinc/33/28/00/221332800.db2.gz KUJMBEZIRBGFER-INIZCTEOSA-N 1 2 373.478 2.007 50 0 FEAALO O=C(C[N@H+]1CCc2sccc2C1)N1CCC[C@H]1C(=O)NCc1ccco1 ZINC000070448000 221332802 /nfs/dbraw/zinc/33/28/02/221332802.db2.gz KUJMBEZIRBGFER-INIZCTEOSA-N 1 2 373.478 2.007 50 0 FEAALO Cn1nc(Br)c2c1nc[nH+]c2NCCCOC[C@@H]1CCCO1 ZINC000069921211 221328857 /nfs/dbraw/zinc/32/88/57/221328857.db2.gz VVMSLOOBHSTNDZ-JTQLQIEISA-N 1 2 370.251 2.123 50 0 FEAALO OCc1ccc(-c2nccn2C[C@H](c2cccnc2)[NH+]2CCOCC2)o1 ZINC000071754602 221364847 /nfs/dbraw/zinc/36/48/47/221364847.db2.gz HRJMTLLDTBPJIK-QGZVFWFLSA-N 1 2 354.410 2.104 50 0 FEAALO COc1nc2c(cc1C(=O)N[C@H]1CCCCN(Cc3[nH]cc[nH+]3)C1)CCC2 ZINC000082098033 542683361 /nfs/dbraw/zinc/68/33/61/542683361.db2.gz QSBLGZMTFXTWIV-HNNXBMFYSA-N 1 2 369.469 2.087 50 0 FEAALO COc1nc2c(cc1C(=O)N[C@H]1CCCC[N@H+](Cc3ncc[nH]3)C1)CCC2 ZINC000082098033 542683364 /nfs/dbraw/zinc/68/33/64/542683364.db2.gz QSBLGZMTFXTWIV-HNNXBMFYSA-N 1 2 369.469 2.087 50 0 FEAALO COc1nc2c(cc1C(=O)N[C@H]1CCCC[N@@H+](Cc3ncc[nH]3)C1)CCC2 ZINC000082098033 542683369 /nfs/dbraw/zinc/68/33/69/542683369.db2.gz QSBLGZMTFXTWIV-HNNXBMFYSA-N 1 2 369.469 2.087 50 0 FEAALO O=C1CN(c2ccc(Cn3cc[nH+]c3)cn2)CCN1Cc1cccc(F)c1 ZINC000077437192 132184672 /nfs/dbraw/zinc/18/46/72/132184672.db2.gz WRYUVUKTSDILOD-UHFFFAOYSA-N 1 2 365.412 2.314 50 0 FEAALO CSc1nccc(N2CCC(c3nnc(C[NH+]4CCCC4)n3C)CC2)n1 ZINC000077485899 132187029 /nfs/dbraw/zinc/18/70/29/132187029.db2.gz UBQBKWZZMFZSRH-UHFFFAOYSA-N 1 2 373.530 2.307 50 0 FEAALO O=C1CCC2(CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)CN1CCO ZINC000091997147 132205317 /nfs/dbraw/zinc/20/53/17/132205317.db2.gz CQENTQRNGVOLGT-UHFFFAOYSA-N 1 2 357.376 2.302 50 0 FEAALO CCCCc1nc(N2CCN(c3cc(C)nc4ncnn43)CC2)cc(C)[nH+]1 ZINC000096011556 132216960 /nfs/dbraw/zinc/21/69/60/132216960.db2.gz FIYAWRUGHCXDMH-UHFFFAOYSA-N 1 2 366.473 2.200 50 0 FEAALO O=C(c1cc(=O)[nH]c2ccc(F)cc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000096097175 132219026 /nfs/dbraw/zinc/21/90/26/132219026.db2.gz HFODPTLHXLFLFG-UHFFFAOYSA-N 1 2 352.369 2.025 50 0 FEAALO CC(C)c1cc(C(F)(F)F)nc(N2CCN(c3cc(N)nc[nH+]3)CC2)n1 ZINC000096166527 132221889 /nfs/dbraw/zinc/22/18/89/132221889.db2.gz FQVKIOXADWICBB-UHFFFAOYSA-N 1 2 367.379 2.318 50 0 FEAALO Cc1cc(C)cc(N2CCN(c3cc(C4CC(O)C4)[nH+]c(C)n3)CC2=O)c1 ZINC000219533337 132274263 /nfs/dbraw/zinc/27/42/63/132274263.db2.gz KOQMALUFAFADET-UHFFFAOYSA-N 1 2 366.465 2.493 50 0 FEAALO Cc1cc(C(F)F)n2ncc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c2n1 ZINC000002769476 132304118 /nfs/dbraw/zinc/30/41/18/132304118.db2.gz JMVULXYHIUJMRC-UHFFFAOYSA-N 1 2 372.379 2.333 50 0 FEAALO Nc1cc(C(=O)N2CCC(c3[nH+]ccn3Cc3ccncc3)CC2)ccn1 ZINC000091737099 542822225 /nfs/dbraw/zinc/82/22/25/542822225.db2.gz XXUXCNKLWVRTKL-UHFFFAOYSA-N 1 2 362.437 2.323 50 0 FEAALO Cc1n[nH]c(C)c1[C@@H]([NH3+])C(=O)NCCCc1nc2ccc(C)c(C)c2[nH]1 ZINC000091876725 542829871 /nfs/dbraw/zinc/82/98/71/542829871.db2.gz NJOYHLPAOJDQHV-QGZVFWFLSA-N 1 2 354.458 2.268 50 0 FEAALO C[N@H+](Cc1noc2c1CCCC2)Cc1cc(=O)c2cc(C(N)=O)ccc2[nH]1 ZINC000091892649 542830307 /nfs/dbraw/zinc/83/03/07/542830307.db2.gz AZOORHUEYYELKQ-UHFFFAOYSA-N 1 2 366.421 2.126 50 0 FEAALO C[N@@H+](Cc1noc2c1CCCC2)Cc1cc(=O)c2cc(C(N)=O)ccc2[nH]1 ZINC000091892649 542830309 /nfs/dbraw/zinc/83/03/09/542830309.db2.gz AZOORHUEYYELKQ-UHFFFAOYSA-N 1 2 366.421 2.126 50 0 FEAALO CC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)[C@@H](F)c1ccccc1)CC2 ZINC000091997704 542835909 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Cc1cc(N2CCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)nc(C(C)C)[nH+]1 ZINC000048252006 136123038 /nfs/dbraw/zinc/12/30/38/136123038.db2.gz AWAUFRGRGRBYRT-UHFFFAOYSA-N 1 2 354.458 2.471 50 0 FEAALO CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cccn2C2CC2)C[N@@H+]1CC=C(C)C ZINC000095367848 542961637 /nfs/dbraw/zinc/96/16/37/542961637.db2.gz YQESUJUWFMRABA-QAPCUYQASA-N 1 2 358.486 2.098 50 0 FEAALO CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cccn2C2CC2)C[N@H+]1CC=C(C)C ZINC000095367848 542961641 /nfs/dbraw/zinc/96/16/41/542961641.db2.gz YQESUJUWFMRABA-QAPCUYQASA-N 1 2 358.486 2.098 50 0 FEAALO C[C@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000057378802 136128858 /nfs/dbraw/zinc/12/88/58/136128858.db2.gz QZSPCUHRAOVRIO-BZUAXINKSA-N 1 2 365.905 2.486 50 0 FEAALO NC(=O)c1ccc(NC(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000058139166 136130535 /nfs/dbraw/zinc/13/05/35/136130535.db2.gz ATYPNXKKGISIQC-UHFFFAOYSA-N 1 2 372.856 2.200 50 0 FEAALO Cc1ccnn1CC(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095376044 542963565 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/nfs/dbraw/zinc/77/34/26/221773426.db2.gz HORKOTDYCHHVME-CQSZACIVSA-N 1 2 371.466 2.122 50 0 FEAALO CCn1c(C[NH+](C)C)nnc1C1CCN(C(=O)CCC(F)(F)F)CC1 ZINC000096164692 222064810 /nfs/dbraw/zinc/06/48/10/222064810.db2.gz UQLVNLYDGNQMAY-UHFFFAOYSA-N 1 2 361.412 2.408 50 0 FEAALO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Nc2cccc(Cl)c2F)CC1 ZINC000097595598 222195382 /nfs/dbraw/zinc/19/53/82/222195382.db2.gz ZNSDSVJSNVTWMP-NSHDSACASA-N 1 2 368.840 2.296 50 0 FEAALO O=C(c1n[nH]c(=O)c2ccccc21)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000097674318 222203878 /nfs/dbraw/zinc/20/38/78/222203878.db2.gz PXSQPAMTIHNWQU-TWGQIWQCSA-N 1 2 374.444 2.394 50 0 FEAALO Cn1cnc2cc(C(=O)N3CC[NH+](Cc4cccc(O)c4)CC3)ccc21 ZINC000097797783 222215105 /nfs/dbraw/zinc/21/51/05/222215105.db2.gz OKQOYGDSTTWNGA-UHFFFAOYSA-N 1 2 350.422 2.237 50 0 FEAALO CC(C)(C)Oc1cccc(CCC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)n1 ZINC000133725131 544280763 /nfs/dbraw/zinc/28/07/63/544280763.db2.gz OLCLFQQFRYVREE-KRWDZBQOSA-N 1 2 361.486 2.171 50 0 FEAALO CC(C)(C)Oc1cccc(CCC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)n1 ZINC000133725131 544280766 /nfs/dbraw/zinc/28/07/66/544280766.db2.gz OLCLFQQFRYVREE-KRWDZBQOSA-N 1 2 361.486 2.171 50 0 FEAALO O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000134629001 544316343 /nfs/dbraw/zinc/31/63/43/544316343.db2.gz KKMFHTCLZMVBAR-SFHVURJKSA-N 1 2 367.453 2.440 50 0 FEAALO CCOC(=O)N1CC[NH+](C[C@H](O)COc2ccc(C(C)C)cc2)CC1 ZINC000019867427 520952710 /nfs/dbraw/zinc/95/27/10/520952710.db2.gz FYVQYYIHSJJMDX-KRWDZBQOSA-N 1 2 350.459 2.324 50 0 FEAALO CCOc1ccc(C[N@H+](C)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1OC ZINC000239302869 520960300 /nfs/dbraw/zinc/96/03/00/520960300.db2.gz FSRPJVYSPBIEHC-HZPDHXFCSA-N 1 2 358.438 2.434 50 0 FEAALO CCOc1ccc(C[N@@H+](C)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1OC ZINC000239302869 520960307 /nfs/dbraw/zinc/96/03/07/520960307.db2.gz FSRPJVYSPBIEHC-HZPDHXFCSA-N 1 2 358.438 2.434 50 0 FEAALO CCN1C[C@H](C[N@H+](C)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)Oc2ccccc21 ZINC000252443949 521729892 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COCCCN1CC2(CCC1=O)CC[NH+](Cc1noc(C(C)C)n1)CC2 ZINC000091305871 523294536 /nfs/dbraw/zinc/29/45/36/523294536.db2.gz KMRBGYPTEQPXNA-UHFFFAOYSA-N 1 2 364.490 2.434 50 0 FEAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)NC(=O)Nc1ccccc1 ZINC000252452371 523785818 /nfs/dbraw/zinc/78/58/18/523785818.db2.gz FBSINHKZFKBDAS-IMJJTQAJSA-N 1 2 359.426 2.141 50 0 FEAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)NC(=O)Nc1ccccc1 ZINC000252452371 523785822 /nfs/dbraw/zinc/78/58/22/523785822.db2.gz FBSINHKZFKBDAS-IMJJTQAJSA-N 1 2 359.426 2.141 50 0 FEAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)Nc1ccc(Cl)cn1 ZINC000247860896 523786254 /nfs/dbraw/zinc/78/62/54/523786254.db2.gz VXQFUMBOMKLVCC-YUTCNCBUSA-N 1 2 351.834 2.480 50 0 FEAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1ccc(Cl)cn1 ZINC000247860896 523786258 /nfs/dbraw/zinc/78/62/58/523786258.db2.gz VXQFUMBOMKLVCC-YUTCNCBUSA-N 1 2 351.834 2.480 50 0 FEAALO O=C(NCC[NH+]1CCOCC1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000020533877 526319293 /nfs/dbraw/zinc/31/92/93/526319293.db2.gz RVYVQGOATNLYOE-UHFFFAOYSA-N 1 2 362.433 2.359 50 0 FEAALO O=C(c1ccc(CO)o1)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000091288778 526670735 /nfs/dbraw/zinc/67/07/35/526670735.db2.gz YEWYYPSYROOWHZ-INIZCTEOSA-N 1 2 366.421 2.432 50 0 FEAALO O=C(CCn1cccn1)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000091574610 526673748 /nfs/dbraw/zinc/67/37/48/526673748.db2.gz NDCAEORYFFNAHP-QGZVFWFLSA-N 1 2 364.453 2.319 50 0 FEAALO O=C(NCc1cccs1)N1CC[NH+](C[C@H](O)c2cccs2)CC1 ZINC000085466949 526782441 /nfs/dbraw/zinc/78/24/41/526782441.db2.gz BJMVPUBCUATUOU-AWEZNQCLSA-N 1 2 351.497 2.370 50 0 FEAALO O=S(=O)(CCc1nc(C2CC2)nn1CCc1c[nH]c[nH+]1)c1ccccc1 ZINC000097815161 527179733 /nfs/dbraw/zinc/17/97/33/527179733.db2.gz DFZZUHPGJJTGSA-UHFFFAOYSA-N 1 2 371.466 2.138 50 0 FEAALO O=S(=O)(CCc1nc(C2CC2)nn1CCc1c[nH+]c[nH]1)c1ccccc1 ZINC000097815161 527179738 /nfs/dbraw/zinc/17/97/38/527179738.db2.gz DFZZUHPGJJTGSA-UHFFFAOYSA-N 1 2 371.466 2.138 50 0 FEAALO CCCNC(=O)c1cn(CC)c2cc(N3CC[NH+](C)CC3)c(F)cc2c1=O ZINC000002267278 535155231 /nfs/dbraw/zinc/15/52/31/535155231.db2.gz FOZFAIULYHNAJJ-UHFFFAOYSA-N 1 2 374.460 2.052 50 0 FEAALO CC(C)Cc1cc(C(=O)NCc2ccc[nH+]c2N2CCC[C@H](O)C2)on1 ZINC000067649779 535337100 /nfs/dbraw/zinc/33/71/00/535337100.db2.gz INABSAMCTDJMAA-INIZCTEOSA-N 1 2 358.442 2.159 50 0 FEAALO CCCc1cnc(C)nc1N1CCC[C@@H](c2nnc(C[NH+](C)C)n2C)C1 ZINC000072411066 535437163 /nfs/dbraw/zinc/43/71/63/535437163.db2.gz ZCORXZUPKDJNGW-MRXNPFEDSA-N 1 2 357.506 2.312 50 0 FEAALO CC[C@@H](Oc1ccccc1)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000031326066 535818155 /nfs/dbraw/zinc/81/81/55/535818155.db2.gz WRIGMSUCPPAWJQ-GOSISDBHSA-N 1 2 355.438 2.392 50 0 FEAALO COc1ccc(CNC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000052537719 536869704 /nfs/dbraw/zinc/86/97/04/536869704.db2.gz HTPWXJJVVSZTHM-UHFFFAOYSA-N 1 2 357.429 2.273 50 0 FEAALO CNC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000215929590 548675005 /nfs/dbraw/zinc/67/50/05/548675005.db2.gz VTYALEKZFXHSKB-OAHLLOKOSA-N 1 2 361.829 2.037 50 0 FEAALO CNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000215929590 548675011 /nfs/dbraw/zinc/67/50/11/548675011.db2.gz VTYALEKZFXHSKB-OAHLLOKOSA-N 1 2 361.829 2.037 50 0 FEAALO Cn1nc(CO)c2c1CC[N@H+](Cc1ccc(OCc3ccccn3)cc1)C2 ZINC000216174964 548675952 /nfs/dbraw/zinc/67/59/52/548675952.db2.gz WOWMJXIJKWCRIC-UHFFFAOYSA-N 1 2 364.449 2.445 50 0 FEAALO Cn1nc(CO)c2c1CC[N@@H+](Cc1ccc(OCc3ccccn3)cc1)C2 ZINC000216174964 548675957 /nfs/dbraw/zinc/67/59/57/548675957.db2.gz WOWMJXIJKWCRIC-UHFFFAOYSA-N 1 2 364.449 2.445 50 0 FEAALO Cc1cc(N2CCC(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)CC2)n[nH]1 ZINC000225750029 548742674 /nfs/dbraw/zinc/74/26/74/548742674.db2.gz OEMBEJAELQCJND-UHFFFAOYSA-N 1 2 364.453 2.362 50 0 FEAALO O=S(=O)(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cnc2ccccc2c1 ZINC000252500393 549670328 /nfs/dbraw/zinc/67/03/28/549670328.db2.gz SUNAQQINZDUOPL-OAHLLOKOSA-N 1 2 354.435 2.187 50 0 FEAALO O=C(c1ccc(O[C@@H]2CCOC2)nc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000252549507 549674014 /nfs/dbraw/zinc/67/40/14/549674014.db2.gz RJSOYWJGDXEXAR-LJQANCHMSA-N 1 2 367.449 2.207 50 0 FEAALO COc1cccc([C@H]2C[C@@H](O)CN2C(=O)C2CC[NH+](CC(F)F)CC2)c1 ZINC000285208263 551720544 /nfs/dbraw/zinc/72/05/44/551720544.db2.gz WYGYDYRQXYKZLX-NVXWUHKLSA-N 1 2 368.424 2.307 50 0 FEAALO CCCN(CCC)S(=O)(=O)N1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000330925318 554189660 /nfs/dbraw/zinc/18/96/60/554189660.db2.gz UQTUYROSZIRWQY-INIZCTEOSA-N 1 2 354.520 2.127 50 0 FEAALO COc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3CCCC[C@H]3O)CC2)cc1F ZINC000332554861 554470806 /nfs/dbraw/zinc/47/08/06/554470806.db2.gz SDHDGJLJPATHNN-FUHWJXTLSA-N 1 2 364.461 2.420 50 0 FEAALO C[C@@H](CNC(=O)N=c1ccc(C2CC2)n[nH]1)[N@@H+]1CCc2sccc2C1 ZINC000333204205 554588721 /nfs/dbraw/zinc/58/87/21/554588721.db2.gz OGJXBCACIJTHJJ-LBPRGKRZSA-N 1 2 357.483 2.984 50 0 FEAALO C[C@@H](CNC(=O)N=c1ccc(C2CC2)n[nH]1)[N@H+]1CCc2sccc2C1 ZINC000333204205 554588722 /nfs/dbraw/zinc/58/87/22/554588722.db2.gz 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COc1cccc([C@H](NC(=O)/C=C/c2cnn(C)c2)c2[nH+]ccn2C)c1 ZINC000024019729 211398649 /nfs/dbraw/zinc/39/86/49/211398649.db2.gz UHTLBFJGBDCFGZ-DVBCCOPCSA-N 1 2 351.410 2.081 50 0 FEAALO COc1ccc(NC(=O)CN2CC[NH+](Cc3ccco3)CC2)cc1OC ZINC000023249321 211382848 /nfs/dbraw/zinc/38/28/48/211382848.db2.gz NCIBAZGJSGKLNL-UHFFFAOYSA-N 1 2 359.426 2.053 50 0 FEAALO COCCNc1nc2c(cnn2C)c(NCc2cc(OC)ccc2OC)[nH+]1 ZINC000021930309 211329803 /nfs/dbraw/zinc/32/98/03/211329803.db2.gz AXFTYXVSFPKGSX-UHFFFAOYSA-N 1 2 372.429 2.051 50 0 FEAALO CCc1nsc(N2CCC[N@H+](Cc3csc(COC)n3)CC2)n1 ZINC000076184821 542240356 /nfs/dbraw/zinc/24/03/56/542240356.db2.gz ACJCWTKJQLMCFG-UHFFFAOYSA-N 1 2 353.517 2.416 50 0 FEAALO CCc1nsc(N2CCC[N@@H+](Cc3csc(COC)n3)CC2)n1 ZINC000076184821 542240359 /nfs/dbraw/zinc/24/03/59/542240359.db2.gz ACJCWTKJQLMCFG-UHFFFAOYSA-N 1 2 353.517 2.416 50 0 FEAALO O=C(Nc1nnc(CC[NH+]2CCOCC2)s1)c1cccc(Cl)c1 ZINC000020476885 211280623 /nfs/dbraw/zinc/28/06/23/211280623.db2.gz MFJQWGGQCFQKEH-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/28/10/53/220281053.db2.gz YGRIWXCPVCQPPU-UHFFFAOYSA-N 1 2 367.298 2.302 50 0 FEAALO Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)CCc2cn3ccccc3[nH+]2)C1 ZINC000077407635 542379555 /nfs/dbraw/zinc/37/95/55/542379555.db2.gz FFVQYBMBUUQMPF-HNNXBMFYSA-N 1 2 365.437 2.122 50 0 FEAALO O=C1CC[C@]2(CCC[N@H+](Cc3c(F)ccc(F)c3F)C2)CN1CCO ZINC000077427174 542380846 /nfs/dbraw/zinc/38/08/46/542380846.db2.gz INDFYGLJFDTDKG-SFHVURJKSA-N 1 2 356.388 2.301 50 0 FEAALO O=C1CC[C@]2(CCC[N@@H+](Cc3c(F)ccc(F)c3F)C2)CN1CCO ZINC000077427174 542380849 /nfs/dbraw/zinc/38/08/49/542380849.db2.gz INDFYGLJFDTDKG-SFHVURJKSA-N 1 2 356.388 2.301 50 0 FEAALO CC(=O)N1CCc2c([nH+]c(N(C)C)nc2NCCc2ccc(C)s2)C1 ZINC000077471616 542386026 /nfs/dbraw/zinc/38/60/26/542386026.db2.gz MGBBMLWOAFHXML-UHFFFAOYSA-N 1 2 359.499 2.472 50 0 FEAALO O=C(C[NH+]1CCC(c2nnc(C3CC3)o2)CC1)NCCc1ccccc1 ZINC000049377563 221021479 /nfs/dbraw/zinc/02/14/79/221021479.db2.gz SMAPVNHGZKLPOL-UHFFFAOYSA-N 1 2 354.454 2.485 50 0 FEAALO O=C(NC1CC[NH+](Cc2nc3ccccc3c(=O)[nH]2)CC1)c1ccccc1 ZINC000057403129 221087400 /nfs/dbraw/zinc/08/74/00/221087400.db2.gz RQVJVUGNLFIICU-UHFFFAOYSA-N 1 2 362.433 2.318 50 0 FEAALO Cc1cccn2cc(CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)[nH+]c12 ZINC000058421787 221118195 /nfs/dbraw/zinc/11/81/95/221118195.db2.gz FPXXFWBXUYOMJC-UHFFFAOYSA-N 1 2 358.348 2.218 50 0 FEAALO COc1cccc2cc(C(=O)N3CC[NH+](CCn4cccn4)CC3)oc21 ZINC000062021952 221139573 /nfs/dbraw/zinc/13/95/73/221139573.db2.gz VSLSESCRDDSVBG-UHFFFAOYSA-N 1 2 354.410 2.096 50 0 FEAALO COC(=O)[C@@H]1C[C@H](NC(=O)Cc2coc3cc(C)c(Cl)cc23)C[N@@H+]1C ZINC000065370747 221204541 /nfs/dbraw/zinc/20/45/41/221204541.db2.gz BIMKQXLVTWXSLW-WFASDCNBSA-N 1 2 364.829 2.299 50 0 FEAALO COC(=O)[C@@H]1C[C@H](NC(=O)Cc2coc3cc(C)c(Cl)cc23)C[N@H+]1C ZINC000065370747 221204543 /nfs/dbraw/zinc/20/45/43/221204543.db2.gz BIMKQXLVTWXSLW-WFASDCNBSA-N 1 2 364.829 2.299 50 0 FEAALO Cc1nc(CNC(=O)c2cc3n(n2)CC[N@@H+](C(C)C)C3)nc2c1CCCC2 ZINC000065373818 221205153 /nfs/dbraw/zinc/20/51/53/221205153.db2.gz DQAZGWDCTLSJNV-UHFFFAOYSA-N 1 2 368.485 2.014 50 0 FEAALO Cc1nc(CNC(=O)c2cc3n(n2)CC[N@H+](C(C)C)C3)nc2c1CCCC2 ZINC000065373818 221205155 /nfs/dbraw/zinc/20/51/55/221205155.db2.gz DQAZGWDCTLSJNV-UHFFFAOYSA-N 1 2 368.485 2.014 50 0 FEAALO Cc1cccn2c1[nH+]c1c2[C@H](c2cnc(NC(C)C)nc2)CC(=O)NC1 ZINC000065419238 221216379 /nfs/dbraw/zinc/21/63/79/221216379.db2.gz CNPZZWDVMKVDRZ-AWEZNQCLSA-N 1 2 350.426 2.405 50 0 FEAALO COC(=O)c1cc2n(n1)CCC[N@H+](Cc1cccn1-c1cccnc1)C2 ZINC000065429992 221218708 /nfs/dbraw/zinc/21/87/08/221218708.db2.gz FFRVXONSSONQFI-UHFFFAOYSA-N 1 2 351.410 2.261 50 0 FEAALO COC(=O)c1cc2n(n1)CCC[N@@H+](Cc1cccn1-c1cccnc1)C2 ZINC000065429992 221218710 /nfs/dbraw/zinc/21/87/10/221218710.db2.gz FFRVXONSSONQFI-UHFFFAOYSA-N 1 2 351.410 2.261 50 0 FEAALO COC(=O)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)o1 ZINC000065489409 221224517 /nfs/dbraw/zinc/22/45/17/221224517.db2.gz RENKEBGNJLIIDH-CQSZACIVSA-N 1 2 361.398 2.124 50 0 FEAALO COC(=O)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2c2c(C)noc2C)o1 ZINC000065489409 221224519 /nfs/dbraw/zinc/22/45/19/221224519.db2.gz RENKEBGNJLIIDH-CQSZACIVSA-N 1 2 361.398 2.124 50 0 FEAALO O=C(C[N@H+]1CCC[C@@H](O)C1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000066863169 221245927 /nfs/dbraw/zinc/24/59/27/221245927.db2.gz DCJIDXPNZBTQOR-QGZVFWFLSA-N 1 2 367.449 2.012 50 0 FEAALO O=C(C[N@@H+]1CCC[C@@H](O)C1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000066863169 221245929 /nfs/dbraw/zinc/24/59/29/221245929.db2.gz DCJIDXPNZBTQOR-QGZVFWFLSA-N 1 2 367.449 2.012 50 0 FEAALO CC[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(Cn2cnc3ccccc32)on1 ZINC000067588887 221260970 /nfs/dbraw/zinc/26/09/70/221260970.db2.gz PMIYTKDEFRPRJT-AWEZNQCLSA-N 1 2 364.409 2.478 50 0 FEAALO CC[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(Cn2cnc3ccccc32)on1 ZINC000067588888 221261146 /nfs/dbraw/zinc/26/11/46/221261146.db2.gz PMIYTKDEFRPRJT-CQSZACIVSA-N 1 2 364.409 2.478 50 0 FEAALO COc1cccc(C(=O)NCCNc2cc(-n3nc(C)cc3C)nc[nH+]2)c1 ZINC000067612655 221262698 /nfs/dbraw/zinc/26/26/98/221262698.db2.gz ZTYMOJZMDFNUII-UHFFFAOYSA-N 1 2 366.425 2.130 50 0 FEAALO CCn1cnnc1[C@@H](C)NC(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000067713895 221274763 /nfs/dbraw/zinc/27/47/63/221274763.db2.gz ZNNXIIGGBYATMC-CQSZACIVSA-N 1 2 368.441 2.409 50 0 FEAALO CCn1cnnc1[C@@H](C)NC(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000067713895 221274766 /nfs/dbraw/zinc/27/47/66/221274766.db2.gz ZNNXIIGGBYATMC-CQSZACIVSA-N 1 2 368.441 2.409 50 0 FEAALO O=C(NCc1cccnc1-n1cc[nH+]c1)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000067756468 221282443 /nfs/dbraw/zinc/28/24/43/221282443.db2.gz YBHRTSCTJQEGPK-UHFFFAOYSA-N 1 2 363.352 2.178 50 0 FEAALO Cc1c(C(=O)NCc2cccnc2-n2cc[nH+]c2)nnn1Cc1ccccc1 ZINC000067841781 221291788 /nfs/dbraw/zinc/29/17/88/221291788.db2.gz UHICYKKQJOFIJX-UHFFFAOYSA-N 1 2 373.420 2.146 50 0 FEAALO C[N@@H+]1C[C@@H](NC(=O)C2CCC2)C[C@H]1C(=O)NCc1cccc2ccccc21 ZINC000067955076 221308399 /nfs/dbraw/zinc/30/83/99/221308399.db2.gz CHRORFSXJVOFGY-ICSRJNTNSA-N 1 2 365.477 2.445 50 0 FEAALO C[N@H+]1C[C@@H](NC(=O)C2CCC2)C[C@H]1C(=O)NCc1cccc2ccccc21 ZINC000067955076 221308401 /nfs/dbraw/zinc/30/84/01/221308401.db2.gz CHRORFSXJVOFGY-ICSRJNTNSA-N 1 2 365.477 2.445 50 0 FEAALO COc1cc2c(cc1CN1CCc3[nH+]c[nH]c3[C@@H]1c1cnn(C)c1)OCO2 ZINC000067982382 221312408 /nfs/dbraw/zinc/31/24/08/221312408.db2.gz MLWZAWSVZDPBRO-IBGZPJMESA-N 1 2 367.409 2.028 50 0 FEAALO O=C(c1ccsc1)N1CCCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000068291877 221314711 /nfs/dbraw/zinc/31/47/11/221314711.db2.gz UNBNPTGPTMUKNQ-UHFFFAOYSA-N 1 2 354.435 2.384 50 0 FEAALO Cn1cc(CN2CCc3[nH+]c[nH]c3[C@H]2c2cnc(-c3ccco3)nc2)cn1 ZINC000071776391 221374690 /nfs/dbraw/zinc/37/46/90/221374690.db2.gz TUSDQCFOKFECFF-GOSISDBHSA-N 1 2 361.409 2.341 50 0 FEAALO CC(C)[N@@H+]1CCO[C@@H](Cc2nn3c(Cc4ccccc4)nnc3s2)C1 ZINC000071775614 221374733 /nfs/dbraw/zinc/37/47/33/221374733.db2.gz IKRFUJYHFJCDPP-HNNXBMFYSA-N 1 2 357.483 2.428 50 0 FEAALO CC(C)[N@H+]1CCO[C@@H](Cc2nn3c(Cc4ccccc4)nnc3s2)C1 ZINC000071775614 221374736 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C[C@H]1CC[C@H](C)N(C(=O)NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)C1 ZINC000176412151 546442338 /nfs/dbraw/zinc/44/23/38/546442338.db2.gz VBANGNXYWIXIKJ-GJZGRUSLSA-N 1 2 373.501 2.113 50 0 FEAALO COc1ccccc1-c1ncc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000215480252 548671290 /nfs/dbraw/zinc/67/12/90/548671290.db2.gz PUFGZIRHVFNMKP-GFCCVEGCSA-N 1 2 352.481 2.438 50 0 FEAALO COc1ccccc1-c1ncc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000215480252 548671293 /nfs/dbraw/zinc/67/12/93/548671293.db2.gz PUFGZIRHVFNMKP-GFCCVEGCSA-N 1 2 352.481 2.438 50 0 FEAALO Cc1[nH+]c2cc(CNC(=O)[C@H]3CCCCN3C(=O)C3CC3)ccc2n1C ZINC000221171953 548703454 /nfs/dbraw/zinc/70/34/54/548703454.db2.gz MXTMPVWIRHKRIX-GOSISDBHSA-N 1 2 354.454 2.289 50 0 FEAALO NC(=O)c1ccc(NC(=O)CC[NH+]2CC(Oc3ccccc3F)C2)cc1 ZINC000244659648 548891441 /nfs/dbraw/zinc/89/14/41/548891441.db2.gz HGLCEZFEVJBIOH-UHFFFAOYSA-N 1 2 357.385 2.016 50 0 FEAALO Cc1cc(C(=O)N[C@H]2C[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)ccc1F ZINC000244794587 548894540 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CCC(=O)Nc1cccc(C(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000048291350 540356015 /nfs/dbraw/zinc/35/60/15/540356015.db2.gz OBIPVMCROXKOMZ-UHFFFAOYSA-N 1 2 352.438 2.388 50 0 FEAALO CC(C)(C)OC(=O)N1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000048311043 540356444 /nfs/dbraw/zinc/35/64/44/540356444.db2.gz RLDWIYHFCSVJDX-HNNXBMFYSA-N 1 2 354.422 2.118 50 0 FEAALO Cc1noc(CCCC(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)n1 ZINC000057055740 540765246 /nfs/dbraw/zinc/76/52/46/540765246.db2.gz DVAAWJSMRJYPQR-UHFFFAOYSA-N 1 2 357.458 2.087 50 0 FEAALO CCCOC(=O)c1ccc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000058007599 540827132 /nfs/dbraw/zinc/82/71/32/540827132.db2.gz RMLIQIGJBRXUMZ-UHFFFAOYSA-N 1 2 363.458 2.486 50 0 FEAALO O=C(NCc1ccc(N2CCCC[C@H]2CCO)[nH+]c1)c1cc(C2CC2)n[nH]1 ZINC000058061745 540827699 /nfs/dbraw/zinc/82/76/99/540827699.db2.gz VCMWOKNUFIGMTD-INIZCTEOSA-N 1 2 369.469 2.353 50 0 FEAALO O=S(=O)(c1cccnc1)N1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000058003770 540826664 /nfs/dbraw/zinc/82/66/64/540826664.db2.gz HGWCUYLCFYIDPS-LJQANCHMSA-N 1 2 357.479 2.466 50 0 FEAALO CC(C)(C)OC(=O)N1CC[NH+](C[C@H](O)c2ccc3c(c2)OCO3)CC1 ZINC000070459546 541734642 /nfs/dbraw/zinc/73/46/42/541734642.db2.gz XGTVKYLLIXRYIJ-AWEZNQCLSA-N 1 2 350.415 2.001 50 0 FEAALO CC[NH+]1CCN(S(=O)(=O)N2CCCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000072163355 541793491 /nfs/dbraw/zinc/79/34/91/541793491.db2.gz XVRJCHSKFRGVNU-QGZVFWFLSA-N 1 2 355.479 2.235 50 0 FEAALO Cn1c(C[NH+](C)C)nnc1[C@H]1CCCN(C(=O)NCc2cccs2)C1 ZINC000072407670 541805514 /nfs/dbraw/zinc/80/55/14/541805514.db2.gz MWSDDSXOTVJDNL-ZDUSSCGKSA-N 1 2 362.503 2.027 50 0 FEAALO CC[NH+]1CCN(C(=S)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000058982922 212014946 /nfs/dbraw/zinc/01/49/46/212014946.db2.gz SRIOUXDMIIIPMC-UHFFFAOYSA-N 1 2 356.289 2.353 50 0 FEAALO Cc1ccc(C)c(NC(=O)C[N@@H+](C)[C@H](C)C(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000012889024 220038742 /nfs/dbraw/zinc/03/87/42/220038742.db2.gz AUVZMQOPUIVCFP-BRWVUGGUSA-N 1 2 361.486 2.198 50 0 FEAALO Cc1ccc(C)c(NC(=O)C[N@H+](C)[C@H](C)C(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000012889024 220038747 /nfs/dbraw/zinc/03/87/47/220038747.db2.gz AUVZMQOPUIVCFP-BRWVUGGUSA-N 1 2 361.486 2.198 50 0 FEAALO CC(C)[C@@H](C(=O)Nc1cnn(Cc2ccncc2)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058380736 212008326 /nfs/dbraw/zinc/00/83/26/212008326.db2.gz WVUCXHCFROEYSO-FCEWJHQRSA-N 1 2 371.485 2.399 50 0 FEAALO CC(C)[C@@H](C(=O)Nc1cnn(Cc2ccncc2)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058380736 212008329 /nfs/dbraw/zinc/00/83/29/212008329.db2.gz WVUCXHCFROEYSO-FCEWJHQRSA-N 1 2 371.485 2.399 50 0 FEAALO COC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)c1C ZINC000057792521 211979920 /nfs/dbraw/zinc/97/99/20/211979920.db2.gz KTUOWVNJHHOURY-UHFFFAOYSA-N 1 2 372.347 2.449 50 0 FEAALO COCCNC(=O)NC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000015033774 220143034 /nfs/dbraw/zinc/14/30/34/220143034.db2.gz NZJYVWDJXJZEKM-GOSISDBHSA-N 1 2 373.478 2.168 50 0 FEAALO COCCNC(=O)NC(=O)C[N@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000015033774 220143036 /nfs/dbraw/zinc/14/30/36/220143036.db2.gz NZJYVWDJXJZEKM-GOSISDBHSA-N 1 2 373.478 2.168 50 0 FEAALO CC1(C)C[NH+]=C(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)S1 ZINC000075109978 542153691 /nfs/dbraw/zinc/15/36/91/542153691.db2.gz DZHSSCSVOHMSQJ-UHFFFAOYSA-N 1 2 353.513 2.015 50 0 FEAALO O=c1cc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)nc2sccn21 ZINC000026082875 211440993 /nfs/dbraw/zinc/44/09/93/211440993.db2.gz QNQJBEWXKWQBNB-UHFFFAOYSA-N 1 2 367.434 2.219 50 0 FEAALO O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023718895 211395586 /nfs/dbraw/zinc/39/55/86/211395586.db2.gz MIJWNMVLRVQGFA-UHFFFAOYSA-N 1 2 368.433 2.471 50 0 FEAALO COCCCNc1nc2c(cnn2C)c(NCc2ccc(OC)cc2)[nH+]1 ZINC000021929346 211330211 /nfs/dbraw/zinc/33/02/11/211330211.db2.gz HXLDCHBVMCVMHM-UHFFFAOYSA-N 1 2 356.430 2.432 50 0 FEAALO Cc1cc(C)cc(OCC(=O)N2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000021149683 211309596 /nfs/dbraw/zinc/30/95/96/211309596.db2.gz RYHRDIRHUJGOMN-UHFFFAOYSA-N 1 2 353.466 2.464 50 0 FEAALO C[C@H](Oc1ccc(F)cc1)C(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000021786937 211324565 /nfs/dbraw/zinc/32/45/65/211324565.db2.gz UQMUUMHAXNSOSG-INIZCTEOSA-N 1 2 357.429 2.375 50 0 FEAALO C[C@@H]1CN(C(=O)C2([N@H+]3C[C@@H](C)O[C@@H](C)C3)Cc3ccccc3C2)C[C@H](C)O1 ZINC000020450591 211281141 /nfs/dbraw/zinc/28/11/41/211281141.db2.gz BDIMZMVISNWEOS-USTZCAOPSA-N 1 2 372.509 2.269 50 0 FEAALO C[C@@H]1CN(C(=O)C2([N@@H+]3C[C@@H](C)O[C@@H](C)C3)Cc3ccccc3C2)C[C@H](C)O1 ZINC000020450591 211281149 /nfs/dbraw/zinc/28/11/49/211281149.db2.gz BDIMZMVISNWEOS-USTZCAOPSA-N 1 2 372.509 2.269 50 0 FEAALO Fc1cccc(CN(CCC[NH+]2CCOCC2)C(=S)NC2CC2)c1 ZINC000020437675 211278679 /nfs/dbraw/zinc/27/86/79/211278679.db2.gz YPEOOLWGJNFUCD-UHFFFAOYSA-N 1 2 351.491 2.387 50 0 FEAALO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000020117785 211268536 /nfs/dbraw/zinc/26/85/36/211268536.db2.gz QZDQJUBPHBROOU-IBGZPJMESA-N 1 2 360.417 2.056 50 0 FEAALO COc1nc(NCC[NH+]2CCOCC2)nc(Nc2ccc(Cl)cc2)n1 ZINC000019758216 211255169 /nfs/dbraw/zinc/25/51/69/211255169.db2.gz YYRNXDSTFVGKPK-UHFFFAOYSA-N 1 2 364.837 2.021 50 0 FEAALO CCOC(=O)c1nn(Cc2ccccc2)c2c1C[N@@H+]([C@H](C)CCO)CC2 ZINC000019111665 211202592 /nfs/dbraw/zinc/20/25/92/211202592.db2.gz JLCLZBVRTBEHAD-OAHLLOKOSA-N 1 2 357.454 2.237 50 0 FEAALO CCOC(=O)c1nn(Cc2ccccc2)c2c1C[N@H+]([C@H](C)CCO)CC2 ZINC000019111665 211202595 /nfs/dbraw/zinc/20/25/95/211202595.db2.gz JLCLZBVRTBEHAD-OAHLLOKOSA-N 1 2 357.454 2.237 50 0 FEAALO Cc1ccc(S(=O)(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000014098631 211073761 /nfs/dbraw/zinc/07/37/61/211073761.db2.gz FOHFHEHTTMCXBY-HOTGVXAUSA-N 1 2 354.516 2.470 50 0 FEAALO CC(C)(C)OC(=O)Nc1ccc(CC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000013010749 211021158 /nfs/dbraw/zinc/02/11/58/211021158.db2.gz GLSRYQHVHIKBGJ-UHFFFAOYSA-N 1 2 363.458 2.025 50 0 FEAALO Cc1cccc(C)c1OC[C@H](O)Cn1c2ccccc2[nH+]c1NCCO ZINC000012506647 210963172 /nfs/dbraw/zinc/96/31/72/210963172.db2.gz QOSQPBLRRFARHX-MRXNPFEDSA-N 1 2 355.438 2.497 50 0 FEAALO Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NCCCn3cc[nH+]c3)ccc12 ZINC000005207895 210607175 /nfs/dbraw/zinc/60/71/75/210607175.db2.gz NFRVBBOCGFMMQK-CQSZACIVSA-N 1 2 355.394 2.272 50 0 FEAALO COc1ccc2ncc(C(=O)N3CCC[C@@H](Cn4cc[nH+]c4)C3)c(O)c2c1 ZINC000077321252 542366488 /nfs/dbraw/zinc/36/64/88/542366488.db2.gz MYTWLQRVZNBPHR-AWEZNQCLSA-N 1 2 366.421 2.286 50 0 FEAALO CCOc1ccc(C(=O)N2CCC[C@@H](c3nnc(C[NH+](C)C)n3C)C2)cc1 ZINC000077376609 542374726 /nfs/dbraw/zinc/37/47/26/542374726.db2.gz DTOINYQQQJGLAB-MRXNPFEDSA-N 1 2 371.485 2.295 50 0 FEAALO Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)CCc2cn3ccccc3[nH+]2)C1 ZINC000077407634 542379306 /nfs/dbraw/zinc/37/93/06/542379306.db2.gz FFVQYBMBUUQMPF-OAHLLOKOSA-N 1 2 365.437 2.122 50 0 FEAALO O=C(NCc1n[nH]c(=O)c2ccccc12)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000048985505 221015936 /nfs/dbraw/zinc/01/59/36/221015936.db2.gz IIBQPBHNJCRBOZ-UHFFFAOYSA-N 1 2 359.389 2.098 50 0 FEAALO COc1ccccc1CNC(=O)Cn1c[nH+]c2cc3c(cc21)OCCO3 ZINC000064794742 221152719 /nfs/dbraw/zinc/15/27/19/221152719.db2.gz FPHSDAMJYZVWBT-UHFFFAOYSA-N 1 2 353.378 2.133 50 0 FEAALO CCc1cc(N2CC[NH+](Cc3cnc(-c4ccccn4)nc3)CC2)ncn1 ZINC000065384537 221209111 /nfs/dbraw/zinc/20/91/11/221209111.db2.gz KEKJYLILUNJGMO-UHFFFAOYSA-N 1 2 361.453 2.213 50 0 FEAALO CC(=O)Oc1ccc(C[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)cc1 ZINC000079059131 542497519 /nfs/dbraw/zinc/49/75/19/542497519.db2.gz VGOHXTPIORXGJQ-UHFFFAOYSA-N 1 2 367.449 2.368 50 0 FEAALO CN(CCc1ccccn1)c1[nH+]cccc1CNC(=O)c1ccc(N)nc1 ZINC000067514234 221258507 /nfs/dbraw/zinc/25/85/07/221258507.db2.gz DAVGHZQHNFPYIG-UHFFFAOYSA-N 1 2 362.437 2.063 50 0 FEAALO Cc1noc(C[N@@H+](C)C[C@]2(O)CCCN(CCC3CCCCC3)C2=O)n1 ZINC000067722945 221276057 /nfs/dbraw/zinc/27/60/57/221276057.db2.gz ZMQRUOMOCLFPQJ-LJQANCHMSA-N 1 2 364.490 2.134 50 0 FEAALO Cc1noc(C[N@H+](C)C[C@]2(O)CCCN(CCC3CCCCC3)C2=O)n1 ZINC000067722945 221276059 /nfs/dbraw/zinc/27/60/59/221276059.db2.gz ZMQRUOMOCLFPQJ-LJQANCHMSA-N 1 2 364.490 2.134 50 0 FEAALO COC(=O)c1cn(C(C)C)cc(C(=O)Nc2c[nH+]c3n2CCCC3)c1=O ZINC000067673598 221268399 /nfs/dbraw/zinc/26/83/99/221268399.db2.gz NXXCQKJGKIWFCX-UHFFFAOYSA-N 1 2 358.398 2.001 50 0 FEAALO Cc1ncc(CC(=O)NCc2ccc[nH+]c2N(C)C2CCCCC2)c(=O)[nH]1 ZINC000067676941 221270467 /nfs/dbraw/zinc/27/04/67/221270467.db2.gz PGPKLPWAGZIDFP-UHFFFAOYSA-N 1 2 369.469 2.101 50 0 FEAALO CCn1cc(C[NH+]2CCN(c3ncc(F)c(N4CCCC4)n3)CC2)c(C)n1 ZINC000067881065 221300000 /nfs/dbraw/zinc/30/00/00/221300000.db2.gz CXOOKQOAQUERTE-UHFFFAOYSA-N 1 2 373.480 2.063 50 0 FEAALO Cc1ccc(C2(O)CC[NH+](CC(=O)N3CCOc4ccccc43)CC2)nc1 ZINC000067975674 221311666 /nfs/dbraw/zinc/31/16/66/221311666.db2.gz DVUSFUPRTYOVJH-UHFFFAOYSA-N 1 2 367.449 2.099 50 0 FEAALO Cc1cc(N2C[C@@H](C(C)C)[C@H](NS(C)(=O)=O)C2)nc(-c2ccccc2)[nH+]1 ZINC000082134893 542685208 /nfs/dbraw/zinc/68/52/08/542685208.db2.gz ATWCXRHYTMCMTI-DLBZAZTESA-N 1 2 374.510 2.462 50 0 FEAALO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cccc(-c3ccc(F)cc3)c2)C[N@@H+]1C ZINC000091390761 542805966 /nfs/dbraw/zinc/80/59/66/542805966.db2.gz PIYXTGLFJQQXFY-OALUTQOASA-N 1 2 369.440 2.431 50 0 FEAALO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cccc(-c3ccc(F)cc3)c2)C[N@H+]1C ZINC000091390761 542805970 /nfs/dbraw/zinc/80/59/70/542805970.db2.gz PIYXTGLFJQQXFY-OALUTQOASA-N 1 2 369.440 2.431 50 0 FEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000091494327 542811087 /nfs/dbraw/zinc/81/10/87/542811087.db2.gz DCPZFHUROLLFIV-UHFFFAOYSA-N 1 2 370.428 2.475 50 0 FEAALO O=C(C1CCOCC1)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000091756798 542823938 /nfs/dbraw/zinc/82/39/38/542823938.db2.gz SMMRFPLPYLDTSM-QGZVFWFLSA-N 1 2 354.454 2.459 50 0 FEAALO Cc1ccnn1CC(=O)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000091756736 542824051 /nfs/dbraw/zinc/82/40/51/542824051.db2.gz TWUFJKSCIWEUIW-UHFFFAOYSA-N 1 2 364.453 2.238 50 0 FEAALO CCCn1ccnc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccncc1)C2 ZINC000091914606 542832359 /nfs/dbraw/zinc/83/23/59/542832359.db2.gz VHAUGVJZUNYXQH-SJLPKXTDSA-N 1 2 353.470 2.425 50 0 FEAALO CCCn1ccnc1C[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccncc1)C2 ZINC000091914606 542832361 /nfs/dbraw/zinc/83/23/61/542832361.db2.gz VHAUGVJZUNYXQH-SJLPKXTDSA-N 1 2 353.470 2.425 50 0 FEAALO CCCNC(=O)C[NH+]1CCN(c2ncnc3sc4c(c32)CCCC4)CC1 ZINC000057322866 136128528 /nfs/dbraw/zinc/12/85/28/136128528.db2.gz PXPZBOWFVXUAEZ-UHFFFAOYSA-N 1 2 373.526 2.218 50 0 FEAALO C[C@@H](C(=O)NCCc1cccs1)[NH+]1CCN(c2ccccc2O)CC1 ZINC000057383613 136129060 /nfs/dbraw/zinc/12/90/60/136129060.db2.gz ATPUOEBRNJDFLR-HNNXBMFYSA-N 1 2 359.495 2.323 50 0 FEAALO CCc1[nH+]c2ccccc2n1[C@@H](CC)C(=O)N1CC(N2CCOCC2)C1 ZINC000095371208 542962971 /nfs/dbraw/zinc/96/29/71/542962971.db2.gz STPQXLCFHVMQGC-KRWDZBQOSA-N 1 2 356.470 2.093 50 0 FEAALO CC(=O)N1CCCCC[C@H]1C1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000071889373 136141319 /nfs/dbraw/zinc/14/13/19/136141319.db2.gz IQPAGUMZTKKVPM-KRWDZBQOSA-N 1 2 356.474 2.371 50 0 FEAALO CCCN1C(=O)CC[C@H]2CN(c3cc(-n4cccn4)nc(C)[nH+]3)CC[C@H]21 ZINC000072422246 136146098 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/nfs/dbraw/zinc/19/02/93/222190293.db2.gz IICZIOZTYKGISU-UHFFFAOYSA-N 1 2 371.466 2.203 50 0 FEAALO O=C(N[C@H](CCn1cc[nH+]c1)c1ccccc1)c1[nH]nc2c1COCC2 ZINC000097425669 222180209 /nfs/dbraw/zinc/18/02/09/222180209.db2.gz BVRWLYZWLVPCNF-MRXNPFEDSA-N 1 2 351.410 2.240 50 0 FEAALO Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000097660715 222203923 /nfs/dbraw/zinc/20/39/23/222203923.db2.gz XRAYRYAWXFFUBI-INIZCTEOSA-N 1 2 369.473 2.101 50 0 FEAALO COc1cccc2c1OC[C@@H](CNC(=O)CC1=CSC3=[NH+]CCCN13)C2 ZINC000102717968 222305174 /nfs/dbraw/zinc/30/51/74/222305174.db2.gz GDIYGTNQAUCNHX-CYBMUJFWSA-N 1 2 373.478 2.403 50 0 FEAALO O[C@@H](C[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1)c1ccccc1 ZINC000154405379 544902489 /nfs/dbraw/zinc/90/24/89/544902489.db2.gz PETJZCGUDGHCIV-LBPRGKRZSA-N 1 2 358.389 2.413 50 0 FEAALO CCc1c(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)cnn1Cc1ccccc1 ZINC000170629031 327089665 /nfs/dbraw/zinc/08/96/65/327089665.db2.gz LJUJYDXGKQZPDX-UHFFFAOYSA-N 1 2 370.497 2.334 50 0 FEAALO CCc1c(C(=O)NCC[N@H+]2CCOC(C)(C)C2)cnn1Cc1ccccc1 ZINC000170629031 327089667 /nfs/dbraw/zinc/08/96/67/327089667.db2.gz LJUJYDXGKQZPDX-UHFFFAOYSA-N 1 2 370.497 2.334 50 0 FEAALO CO[C@@H](C)c1noc(CN2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1 ZINC000175071633 327372305 /nfs/dbraw/zinc/37/23/05/327372305.db2.gz ASNMALVLHZNIPQ-AWEZNQCLSA-N 1 2 360.462 2.321 50 0 FEAALO CCOC(=O)N1CC[NH+](C[C@@H](O)COC23CC4CC(CC(C4)C2)C3)CC1 ZINC000020683490 520953570 /nfs/dbraw/zinc/95/35/70/520953570.db2.gz KIOJJOCLXNBOMS-ZCYBBYNQSA-N 1 2 366.502 2.107 50 0 FEAALO CNC(=O)c1noc(C[N@@H+]2CCC[C@](C)(Cc3ccc4c(c3)OCO4)C2)n1 ZINC000091663521 521928373 /nfs/dbraw/zinc/92/83/73/521928373.db2.gz BJIYTHCNKAIHRX-LJQANCHMSA-N 1 2 372.425 2.003 50 0 FEAALO CNC(=O)c1noc(C[N@H+]2CCC[C@](C)(Cc3ccc4c(c3)OCO4)C2)n1 ZINC000091663521 521928380 /nfs/dbraw/zinc/92/83/80/521928380.db2.gz BJIYTHCNKAIHRX-LJQANCHMSA-N 1 2 372.425 2.003 50 0 FEAALO C[NH+](C)[C@@H](C(=O)N1CCCN(C(=O)C2CCC2)CC1)c1ccccc1F ZINC000091574743 522003559 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COc1ccc(CCNC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000019850449 523969416 /nfs/dbraw/zinc/96/94/16/523969416.db2.gz RXIQEFJQZRHIOA-UHFFFAOYSA-N 1 2 354.450 2.500 50 0 FEAALO CSCc1noc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2cscn2)C3)n1 ZINC000091468598 525772089 /nfs/dbraw/zinc/77/20/89/525772089.db2.gz VSYUUSGLXZKXOO-GXTWGEPZSA-N 1 2 365.528 2.486 50 0 FEAALO CSCc1noc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2cscn2)C3)n1 ZINC000091468598 525772102 /nfs/dbraw/zinc/77/21/02/525772102.db2.gz VSYUUSGLXZKXOO-GXTWGEPZSA-N 1 2 365.528 2.486 50 0 FEAALO C[C@@H](Oc1ccccc1F)C(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000020897249 525960514 /nfs/dbraw/zinc/96/05/14/525960514.db2.gz PFAJMHDECSPXBX-MRXNPFEDSA-N 1 2 357.429 2.375 50 0 FEAALO CN1CCCc2ccc(S(=O)(=O)NCCc3cn4ccccc4[nH+]3)cc21 ZINC000152727117 536398060 /nfs/dbraw/zinc/39/80/60/536398060.db2.gz NQUOUWBJWXDRAF-UHFFFAOYSA-N 1 2 370.478 2.238 50 0 FEAALO COc1ccnc(N2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)n1 ZINC000040158296 537118149 /nfs/dbraw/zinc/11/81/49/537118149.db2.gz 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Cc1c(Cl)cccc1NC(=O)NC[C@@]1([NH+]2CCOCC2)CCOC1 ZINC000257197223 549716935 /nfs/dbraw/zinc/71/69/35/549716935.db2.gz ZRKSPBQGDJEYNK-KRWDZBQOSA-N 1 2 353.850 2.261 50 0 FEAALO O=C(c1ccc(-n2cnnn2)cc1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000374918848 557951124 /nfs/dbraw/zinc/95/11/24/557951124.db2.gz XIVZROCJIBUUPV-QGZVFWFLSA-N 1 2 368.828 2.102 50 0 FEAALO CCCc1nc(C)cc(-c2ccc(C(=O)N3CC[NH+](CCO)CC3)cc2)n1 ZINC000426730261 559741104 /nfs/dbraw/zinc/74/11/04/559741104.db2.gz BQEREDYHMSJCEV-UHFFFAOYSA-N 1 2 368.481 2.155 50 0 FEAALO CC[C@@H](CNC(=O)N(C)Cc1cccc2cnccc21)[NH+]1CCOCC1 ZINC000534593306 562537756 /nfs/dbraw/zinc/53/77/56/562537756.db2.gz CQXBOQSWCJUYNS-SFHVURJKSA-N 1 2 356.470 2.487 50 0 FEAALO Cc1ccc(S(=O)(=O)N2CC[NH+](CCOC(C)(C)C)CC2)cc1C ZINC000048263202 570939290 /nfs/dbraw/zinc/93/92/90/570939290.db2.gz JFDHTQRMKGZVKU-UHFFFAOYSA-N 1 2 354.516 2.425 50 0 FEAALO Cc1nn(-c2nc(C)c(C(=O)N3CC[NH+](C)CC3)s2)c(C)c1Cl ZINC000035476084 571148114 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CC(=O)Nc1ccc(S(=O)(=O)NCCc2cn3ccc(C)cc3[nH+]2)cc1 ZINC000004248494 539379776 /nfs/dbraw/zinc/37/97/76/539379776.db2.gz RTVWHVBPAIFTJS-UHFFFAOYSA-N 1 2 372.450 2.122 50 0 FEAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)NC[C@@H]1CCCO1 ZINC000004341435 539382211 /nfs/dbraw/zinc/38/22/11/539382211.db2.gz IOMHPQPJPZJZHI-AWEZNQCLSA-N 1 2 369.450 2.203 50 0 FEAALO O=C(Cn1c2ccccc2[nH+]c1NCCO)NCc1cccc(Cl)c1 ZINC000005185431 539404706 /nfs/dbraw/zinc/40/47/06/539404706.db2.gz PCMCGJVTDLQYOI-UHFFFAOYSA-N 1 2 358.829 2.410 50 0 FEAALO CCOC(=O)C1CC[NH+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000006612667 539431635 /nfs/dbraw/zinc/43/16/35/539431635.db2.gz OAHYSGSBENNVPB-UHFFFAOYSA-N 1 2 370.352 2.222 50 0 FEAALO Cc1cc(N)nc(SCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)[nH+]1 ZINC000007049279 539445572 /nfs/dbraw/zinc/44/55/72/539445572.db2.gz WQGLKJUPNXRWLY-NSHDSACASA-N 1 2 360.439 2.108 50 0 FEAALO O=C(CCC(=O)c1ccc2c(c1)OCCCO2)NCCCn1cc[nH+]c1 ZINC000008343660 539484207 /nfs/dbraw/zinc/48/42/07/539484207.db2.gz LFUQRUUIDCLNSL-UHFFFAOYSA-N 1 2 357.410 2.214 50 0 FEAALO COc1ccc(C)cc1NC(=O)[C@H]1C=C(O)NC(Nc2ccc(F)cc2)=[NH+]1 ZINC000009227054 539499578 /nfs/dbraw/zinc/49/95/78/539499578.db2.gz OIIGXAWRFXOPHE-OAHLLOKOSA-N 1 2 370.384 2.438 50 0 FEAALO Cn1cc[nH+]c1[C@H](NC1=NS(=O)(=O)c2ccccc21)c1cccc(F)c1 ZINC000009313978 539500537 /nfs/dbraw/zinc/50/05/37/539500537.db2.gz VVMVHCXYRFETFL-MRXNPFEDSA-N 1 2 370.409 2.387 50 0 FEAALO COc1cc(NC(=O)CSc2[nH+]cnc3c2cnn3C)cc(OC)c1 ZINC000011676718 539532080 /nfs/dbraw/zinc/53/20/80/539532080.db2.gz VMTQYFVEQLKESE-UHFFFAOYSA-N 1 2 359.411 2.111 50 0 FEAALO CCN(Cc1[nH+]ccn1C)C(=O)c1ccc(NCc2cnc(C)cn2)nc1 ZINC000011935536 539539821 /nfs/dbraw/zinc/53/98/21/539539821.db2.gz HDKMHQHINXCLAD-UHFFFAOYSA-N 1 2 365.441 2.188 50 0 FEAALO COc1ccccc1C1=NN(c2cc(C)[nH+]c(N)n2)[C@](O)(C(F)(F)F)C1 ZINC000004478250 210081300 /nfs/dbraw/zinc/08/13/00/210081300.db2.gz PKIMKAKUYBFDEC-OAHLLOKOSA-N 1 2 367.331 2.241 50 0 FEAALO CC(C)(C)c1cc(C[N@@H+]2CCn3nc(CNc4cnccn4)cc3C2)[nH]n1 ZINC000299800335 210041111 /nfs/dbraw/zinc/04/11/11/210041111.db2.gz VRNPGTXFQIEIRT-UHFFFAOYSA-N 1 2 366.473 2.322 50 0 FEAALO CC(C)(C)c1cc(C[N@H+]2CCn3nc(CNc4cnccn4)cc3C2)[nH]n1 ZINC000299800335 210041115 /nfs/dbraw/zinc/04/11/15/210041115.db2.gz VRNPGTXFQIEIRT-UHFFFAOYSA-N 1 2 366.473 2.322 50 0 FEAALO CC(C)[N@@H+]1CCO[C@@H](CC(=O)NCCCc2nc3ccc(F)cc3[nH]2)C1 ZINC000299791601 210032623 /nfs/dbraw/zinc/03/26/23/210032623.db2.gz HBNFXYPWZPEEEA-HNNXBMFYSA-N 1 2 362.449 2.250 50 0 FEAALO CC(C)[N@H+]1CCO[C@@H](CC(=O)NCCCc2nc3ccc(F)cc3[nH]2)C1 ZINC000299791601 210032629 /nfs/dbraw/zinc/03/26/29/210032629.db2.gz HBNFXYPWZPEEEA-HNNXBMFYSA-N 1 2 362.449 2.250 50 0 FEAALO Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1ccccc1 ZINC000012604265 539567061 /nfs/dbraw/zinc/56/70/61/539567061.db2.gz ZYTCPGSVXKCMEY-ROUUACIJSA-N 1 2 361.401 2.407 50 0 FEAALO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(Cl)c3)C[C@H]2O)no1 ZINC000299769185 210016748 /nfs/dbraw/zinc/01/67/48/210016748.db2.gz LDRSTMNTNSYTNL-GDBMZVCRSA-N 1 2 367.808 2.141 50 0 FEAALO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(Cl)c3)C[C@H]2O)no1 ZINC000299769185 210016744 /nfs/dbraw/zinc/01/67/44/210016744.db2.gz LDRSTMNTNSYTNL-GDBMZVCRSA-N 1 2 367.808 2.141 50 0 FEAALO CC(C)c1ccc(C[N@@H+]2CCn3nc(CNS(C)(=O)=O)cc3C2)cc1 ZINC000299767844 210014941 /nfs/dbraw/zinc/01/49/41/210014941.db2.gz WCQKFWNKSQIWPI-UHFFFAOYSA-N 1 2 362.499 2.072 50 0 FEAALO CC(C)c1ccc(C[N@H+]2CCn3nc(CNS(C)(=O)=O)cc3C2)cc1 ZINC000299767844 210014943 /nfs/dbraw/zinc/01/49/43/210014943.db2.gz WCQKFWNKSQIWPI-UHFFFAOYSA-N 1 2 362.499 2.072 50 0 FEAALO O=C(CSc1ccc2c(c1)OCCO2)N1CCN(c2cccc[nH+]2)CC1 ZINC000014183418 539598065 /nfs/dbraw/zinc/59/80/65/539598065.db2.gz OWLIPOCVNDXVPJ-UHFFFAOYSA-N 1 2 371.462 2.294 50 0 FEAALO O=C(NCc1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019973679 539671951 /nfs/dbraw/zinc/67/19/51/539671951.db2.gz OHRSATZLQUQBBG-UHFFFAOYSA-N 1 2 353.422 2.443 50 0 FEAALO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020680439 539677625 /nfs/dbraw/zinc/67/76/25/539677625.db2.gz HQJPAAJTTQBNHD-NOLZGADQSA-N 1 2 363.502 2.279 50 0 FEAALO C[N@@H+]1CCc2nc(NC(=O)CCn3c4ccccc4oc3=O)sc2C1 ZINC000024152539 539727142 /nfs/dbraw/zinc/72/71/42/539727142.db2.gz ZNXPEJUBLOQWJP-UHFFFAOYSA-N 1 2 358.423 2.068 50 0 FEAALO C[N@H+]1CCc2nc(NC(=O)CCn3c4ccccc4oc3=O)sc2C1 ZINC000024152539 539727147 /nfs/dbraw/zinc/72/71/47/539727147.db2.gz ZNXPEJUBLOQWJP-UHFFFAOYSA-N 1 2 358.423 2.068 50 0 FEAALO CCN1C[C@H](C[N@H+](C)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)Oc2ccccc21 ZINC000024574221 539735079 /nfs/dbraw/zinc/73/50/79/539735079.db2.gz BEPFEKNPDYGUKS-YESZJQIVSA-N 1 2 369.465 2.114 50 0 FEAALO CCN1C[C@H](C[N@@H+](C)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)Oc2ccccc21 ZINC000024574221 539735082 /nfs/dbraw/zinc/73/50/82/539735082.db2.gz BEPFEKNPDYGUKS-YESZJQIVSA-N 1 2 369.465 2.114 50 0 FEAALO COC(=O)c1cccc(NC(=O)C[N@H+](C)Cc2ccc3c(c2)OCCO3)c1 ZINC000025398734 539759124 /nfs/dbraw/zinc/75/91/24/539759124.db2.gz XTMUNXHGYPQXMQ-UHFFFAOYSA-N 1 2 370.405 2.315 50 0 FEAALO COC(=O)c1cccc(NC(=O)C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c1 ZINC000025398734 539759132 /nfs/dbraw/zinc/75/91/32/539759132.db2.gz XTMUNXHGYPQXMQ-UHFFFAOYSA-N 1 2 370.405 2.315 50 0 FEAALO Cc1ccc(C)c(S(=O)(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)c1 ZINC000026233925 539781545 /nfs/dbraw/zinc/78/15/45/539781545.db2.gz JUBRGSMZJZBQCB-KRWDZBQOSA-N 1 2 354.516 2.329 50 0 FEAALO CC1=C(C(N)=O)[C@H](c2ccccc2OCc2ccccc2)N2NC=NC2=[NH+]1 ZINC000000936896 219342609 /nfs/dbraw/zinc/34/26/09/219342609.db2.gz BJVCOKIFCURMHH-SFHVURJKSA-N 1 2 361.405 2.284 50 0 FEAALO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1cc(C2CC2)on1 ZINC000027614924 539812997 /nfs/dbraw/zinc/81/29/97/539812997.db2.gz FZJRNNMXFXKHFV-UHFFFAOYSA-N 1 2 358.417 2.243 50 0 FEAALO C[C@H](O)CNc1[nH+]c2ccccc2n1CC(=O)NCCc1ccccc1 ZINC000028914832 539839696 /nfs/dbraw/zinc/83/96/96/539839696.db2.gz LFSFGYMMLMBFNR-HNNXBMFYSA-N 1 2 352.438 2.188 50 0 FEAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccccc1 ZINC000029071027 539842403 /nfs/dbraw/zinc/84/24/03/539842403.db2.gz BMXPDXYLVKAIIB-SFHVURJKSA-N 1 2 362.389 2.270 50 0 FEAALO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccc2c(c1)OCO2 ZINC000032862309 539955835 /nfs/dbraw/zinc/95/58/35/539955835.db2.gz TUDGERKXUHLCFY-KRWDZBQOSA-N 1 2 369.421 2.438 50 0 FEAALO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccc2c(c1)OCO2 ZINC000032862309 539955836 /nfs/dbraw/zinc/95/58/36/539955836.db2.gz TUDGERKXUHLCFY-KRWDZBQOSA-N 1 2 369.421 2.438 50 0 FEAALO C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000032841813 539955951 /nfs/dbraw/zinc/95/59/51/539955951.db2.gz DLCHFXXOLTYCPC-MAUKXSAKSA-N 1 2 362.433 2.444 50 0 FEAALO Cc1ccc(C[NH+]2CCN(S(=O)(=O)c3cnn(C(F)F)c3)CC2)cc1 ZINC000036614951 539991269 /nfs/dbraw/zinc/99/12/69/539991269.db2.gz QEJISDVAAZBYGM-UHFFFAOYSA-N 1 2 370.425 2.093 50 0 FEAALO CCCn1nc(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccc1=O ZINC000036624519 539992100 /nfs/dbraw/zinc/99/21/00/539992100.db2.gz GZEZGOKGVCFNFU-AWEZNQCLSA-N 1 2 351.410 2.330 50 0 FEAALO O=C(CCS(=O)(=O)C1CCCC1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000047719951 540325508 /nfs/dbraw/zinc/32/55/08/540325508.db2.gz MIPYWWNOBDUJCM-MRXNPFEDSA-N 1 2 368.499 2.280 50 0 FEAALO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NCCn1cc[nH+]c1 ZINC000048363983 540359325 /nfs/dbraw/zinc/35/93/25/540359325.db2.gz SUNJDIKEHUOECT-ZDUSSCGKSA-N 1 2 350.831 2.156 50 0 FEAALO COc1c(C)c[nH+]c(CNC(=O)[C@H]2CCCN(c3cnccn3)C2)c1C ZINC000050448867 540406828 /nfs/dbraw/zinc/40/68/28/540406828.db2.gz QQUFVRRMFKUTSG-HNNXBMFYSA-N 1 2 355.442 2.030 50 0 FEAALO COc1ccccc1CC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000055099296 540627742 /nfs/dbraw/zinc/62/77/42/540627742.db2.gz GWZFDJCYXKDVGV-UHFFFAOYSA-N 1 2 358.438 2.192 50 0 FEAALO O=C(CCn1nnc2ccccc21)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000055310355 540645710 /nfs/dbraw/zinc/64/57/10/540645710.db2.gz RTVVBAHCPDJEET-UHFFFAOYSA-N 1 2 367.428 2.305 50 0 FEAALO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000055344490 540647857 /nfs/dbraw/zinc/64/78/57/540647857.db2.gz NEUQQNIBWABYCE-KRWDZBQOSA-N 1 2 358.417 2.039 50 0 FEAALO C[C@@H](NC(=O)c1ccccc1SCc1cn2ccccc2[nH+]1)C(N)=O ZINC000056586140 540735172 /nfs/dbraw/zinc/73/51/72/540735172.db2.gz GAIOLHPUBRGBRL-GFCCVEGCSA-N 1 2 354.435 2.230 50 0 FEAALO CCOC(=O)C1=C(C[N@H+](C)Cc2ccc(Cl)cc2)NC(=O)N[C@@H]1C ZINC000057851994 540819562 /nfs/dbraw/zinc/81/95/62/540819562.db2.gz MYXYXOPWRAPXQL-LLVKDONJSA-N 1 2 351.834 2.290 50 0 FEAALO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccc(Cl)cc2)NC(=O)N[C@@H]1C ZINC000057851994 540819565 /nfs/dbraw/zinc/81/95/65/540819565.db2.gz MYXYXOPWRAPXQL-LLVKDONJSA-N 1 2 351.834 2.290 50 0 FEAALO C[C@H](Cn1cnc2ccccc2c1=O)[NH2+]Cc1noc(-c2ccco2)n1 ZINC000067540907 541478172 /nfs/dbraw/zinc/47/81/72/541478172.db2.gz HKZFHONFCCFBDC-GFCCVEGCSA-N 1 2 351.366 2.218 50 0 FEAALO Cc1cc(C)cc(Oc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)c1 ZINC000012528620 220002932 /nfs/dbraw/zinc/00/29/32/220002932.db2.gz NXPPJHXTEOFTBN-UHFFFAOYSA-N 1 2 361.467 2.427 50 0 FEAALO O=C(C1CC1)N1CCCCC[C@H]1C1CC[NH+](Cc2nnnn2C2CC2)CC1 ZINC000071890536 541775165 /nfs/dbraw/zinc/77/51/65/541775165.db2.gz ZRHXBNCBSBDQLW-SFHVURJKSA-N 1 2 372.517 2.401 50 0 FEAALO O=C1C[N@H+](Cc2ccc(OCCO)cc2)CCN1Cc1cccc(F)c1 ZINC000072149136 541788719 /nfs/dbraw/zinc/78/87/19/541788719.db2.gz LBXBIWNCZCONKN-UHFFFAOYSA-N 1 2 358.413 2.041 50 0 FEAALO O=C1C[N@@H+](Cc2ccc(OCCO)cc2)CCN1Cc1cccc(F)c1 ZINC000072149136 541788722 /nfs/dbraw/zinc/78/87/22/541788722.db2.gz LBXBIWNCZCONKN-UHFFFAOYSA-N 1 2 358.413 2.041 50 0 FEAALO O=C1OCCN1CC[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000063580949 212031393 /nfs/dbraw/zinc/03/13/93/212031393.db2.gz LXXXNXVUMYOSCF-CQSZACIVSA-N 1 2 355.232 2.275 50 0 FEAALO O=C1OCCN1CC[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000063580949 212031398 /nfs/dbraw/zinc/03/13/98/212031398.db2.gz LXXXNXVUMYOSCF-CQSZACIVSA-N 1 2 355.232 2.275 50 0 FEAALO NC(=O)C1([NH+]2CCN(C(=O)Nc3ccc(F)cc3F)CC2)CCCCC1 ZINC000072289155 541797630 /nfs/dbraw/zinc/79/76/30/541797630.db2.gz VIVIIKSDSZBYAX-UHFFFAOYSA-N 1 2 366.412 2.303 50 0 FEAALO Cc1ccc(N2CCc3[nH+]c(C)nc(N[C@@H]4CCSC4)c3CC2)nn1 ZINC000072467933 541817519 /nfs/dbraw/zinc/81/75/19/541817519.db2.gz QHOVIJFASYNVQG-CQSZACIVSA-N 1 2 356.499 2.406 50 0 FEAALO COc1ccccc1C(=O)NCCNc1cc(-n2c[nH+]c(C)c2C)ncn1 ZINC000072446636 541815175 /nfs/dbraw/zinc/81/51/75/541815175.db2.gz ABZOEOMZUCOCBD-UHFFFAOYSA-N 1 2 366.425 2.130 50 0 FEAALO COCCCN1C[C@@]2(CCC[N@H+](Cc3noc(C4CC4)n3)C2)CCC1=O ZINC000072454496 541816620 /nfs/dbraw/zinc/81/66/20/541816620.db2.gz QRFOOLJCPDOVJO-IBGZPJMESA-N 1 2 362.474 2.188 50 0 FEAALO COCCCN1C[C@@]2(CCC[N@@H+](Cc3noc(C4CC4)n3)C2)CCC1=O ZINC000072454496 541816622 /nfs/dbraw/zinc/81/66/22/541816622.db2.gz QRFOOLJCPDOVJO-IBGZPJMESA-N 1 2 362.474 2.188 50 0 FEAALO COc1ccc(S(=O)(=O)NCCn2cc[nH+]c2-c2cccc(O)c2)cc1 ZINC000072477306 541820415 /nfs/dbraw/zinc/82/04/15/541820415.db2.gz RJWURNRMAQOQBK-UHFFFAOYSA-N 1 2 373.434 2.243 50 0 FEAALO COCCOc1ncccc1C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000058283358 212002235 /nfs/dbraw/zinc/00/22/35/212002235.db2.gz WQRMYSYYZJXJLI-UHFFFAOYSA-N 1 2 359.426 2.399 50 0 FEAALO CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N(C)Cc1[nH+]ccn1C ZINC000072781748 541863773 /nfs/dbraw/zinc/86/37/73/541863773.db2.gz YETBLGXFWGFDGR-INIZCTEOSA-N 1 2 364.396 2.111 50 0 FEAALO COc1cccc([C@@H](NC(=O)/C=C/c2cnn(C)c2)c2[nH+]ccn2C)c1 ZINC000024019726 211398427 /nfs/dbraw/zinc/39/84/27/211398427.db2.gz UHTLBFJGBDCFGZ-LKGOPFMKSA-N 1 2 351.410 2.081 50 0 FEAALO O=C(NCCCn1cc[nH+]c1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000023673192 211393342 /nfs/dbraw/zinc/39/33/42/211393342.db2.gz HXHRKYOPGPONOS-UHFFFAOYSA-N 1 2 361.877 2.454 50 0 FEAALO C[C@@H]1CCCC[C@@]12NC(=O)N(C[N@H+](C)Cc1ccc3c(c1)OCCO3)C2=O ZINC000023652728 211392987 /nfs/dbraw/zinc/39/29/87/211392987.db2.gz PCESZMRMYPAYMT-JLTOFOAXSA-N 1 2 373.453 2.348 50 0 FEAALO C[C@@H]1CCCC[C@@]12NC(=O)N(C[N@@H+](C)Cc1ccc3c(c1)OCCO3)C2=O ZINC000023652728 211392992 /nfs/dbraw/zinc/39/29/92/211392992.db2.gz PCESZMRMYPAYMT-JLTOFOAXSA-N 1 2 373.453 2.348 50 0 FEAALO Cc1c(C)n(-c2cccnc2)c2ncnc(NCC[NH+]3CCOCC3)c12 ZINC000020546446 211285392 /nfs/dbraw/zinc/28/53/92/211285392.db2.gz IIPLZJKIFVUBPC-UHFFFAOYSA-N 1 2 352.442 2.176 50 0 FEAALO COCCN1C[NH+]=C2N[C@@H](c3cccs3)n3c4ccccc4nc3N2C1 ZINC000020102195 211267348 /nfs/dbraw/zinc/26/73/48/211267348.db2.gz QPWRYHSYGPBDNU-MRXNPFEDSA-N 1 2 368.466 2.287 50 0 FEAALO COc1ccc(CN2CC[NH+](Cc3ccccn3)CC2)c(OC)c1OC ZINC000019552850 211230170 /nfs/dbraw/zinc/23/01/70/211230170.db2.gz RAWUBNFCMRKKKG-UHFFFAOYSA-N 1 2 357.454 2.425 50 0 FEAALO COc1ccc(C[NH+]2CCN(Cc3ccccn3)CC2)c(OC)c1OC ZINC000019552850 211230176 /nfs/dbraw/zinc/23/01/76/211230176.db2.gz RAWUBNFCMRKKKG-UHFFFAOYSA-N 1 2 357.454 2.425 50 0 FEAALO O=C(CSc1nc2ccccc2[nH]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000019141779 211203326 /nfs/dbraw/zinc/20/33/26/211203326.db2.gz ILXKODNPKNUFAN-UHFFFAOYSA-N 1 2 353.451 2.399 50 0 FEAALO COc1ccc(OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000014138828 211077137 /nfs/dbraw/zinc/07/71/37/211077137.db2.gz JJYPTMASIBIQOE-UHFFFAOYSA-N 1 2 370.449 2.223 50 0 FEAALO O=C(Cc1cn2ccsc2n1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000014084212 211071959 /nfs/dbraw/zinc/07/19/59/211071959.db2.gz UGODVGGOCDJIRX-KRWDZBQOSA-N 1 2 370.478 2.128 50 0 FEAALO CC[S@@](=O)c1ccccc1C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000012976775 211013966 /nfs/dbraw/zinc/01/39/66/211013966.db2.gz VRMPEOUNQDAGPH-LMKMVOKYSA-N 1 2 366.527 2.291 50 0 FEAALO COc1ccc(C(=O)Cn2c3ccccc3[nH+]c2NCCO)cc1OC ZINC000001824545 210370995 /nfs/dbraw/zinc/37/09/95/210370995.db2.gz DYTXPWVEAMENQY-UHFFFAOYSA-N 1 2 355.394 2.341 50 0 FEAALO Cc1ccc(Cl)cc1NC(=O)CC(=O)N(C)C[C@H](C)[NH+]1CCOCC1 ZINC000065383611 221207916 /nfs/dbraw/zinc/20/79/16/221207916.db2.gz BRFWGJUCFZNRIJ-AWEZNQCLSA-N 1 2 367.877 2.156 50 0 FEAALO CCC(=O)Nc1ccc(OCC(=O)NCC2(Cn3cc[nH+]c3)CC2)cc1 ZINC000065459335 221221774 /nfs/dbraw/zinc/22/17/74/221221774.db2.gz CJUXWLRCWCLFDK-UHFFFAOYSA-N 1 2 356.426 2.207 50 0 FEAALO COC(=O)c1cc2n(n1)CC[N@H+](Cc1cc(C)ccc1-n1cccn1)C2 ZINC000065493131 221225606 /nfs/dbraw/zinc/22/56/06/221225606.db2.gz FIKMNNGGABWBCP-UHFFFAOYSA-N 1 2 351.410 2.180 50 0 FEAALO COC(=O)c1cc2n(n1)CC[N@@H+](Cc1cc(C)ccc1-n1cccn1)C2 ZINC000065493131 221225608 /nfs/dbraw/zinc/22/56/08/221225608.db2.gz FIKMNNGGABWBCP-UHFFFAOYSA-N 1 2 351.410 2.180 50 0 FEAALO Cc1ccc(C(=O)N2CCC3(CC2)C(=O)NCC[N@H+]3C)c2ccccc12 ZINC000067605784 221262494 /nfs/dbraw/zinc/26/24/94/221262494.db2.gz OTIPRVQKIDFZCY-UHFFFAOYSA-N 1 2 351.450 2.185 50 0 FEAALO Cc1ccc(C(=O)N2CCC3(CC2)C(=O)NCC[N@@H+]3C)c2ccccc12 ZINC000067605784 221262495 /nfs/dbraw/zinc/26/24/95/221262495.db2.gz OTIPRVQKIDFZCY-UHFFFAOYSA-N 1 2 351.450 2.185 50 0 FEAALO COc1cccc([C@@H](C)NC(=O)c2cc(C[NH+]3CCC(O)CC3)on2)c1 ZINC000067821859 221291116 /nfs/dbraw/zinc/29/11/16/221291116.db2.gz XVUIOSHTFKESFO-CYBMUJFWSA-N 1 2 359.426 2.131 50 0 FEAALO O=C(c1cncc(Oc2ccccc2C[NH+]2CCOCC2)n1)N1CCCC1 ZINC000067909150 221304044 /nfs/dbraw/zinc/30/40/44/221304044.db2.gz BGWUDXWGRWPCSR-UHFFFAOYSA-N 1 2 368.437 2.337 50 0 FEAALO CC(C)[C@H]1C[N@H+](CC(=O)Nc2nccs2)CCC(=O)N1CC1CC1 ZINC000071759857 221366049 /nfs/dbraw/zinc/36/60/49/221366049.db2.gz XWFGLILPYAKDPJ-CQSZACIVSA-N 1 2 350.488 2.051 50 0 FEAALO CC(C)[C@H]1C[N@@H+](CC(=O)Nc2nccs2)CCC(=O)N1CC1CC1 ZINC000071759857 221366052 /nfs/dbraw/zinc/36/60/52/221366052.db2.gz XWFGLILPYAKDPJ-CQSZACIVSA-N 1 2 350.488 2.051 50 0 FEAALO CCN(Cc1[nH+]ccn1C)Cc1c(C(=O)N2CCCC2)nc2ccccn21 ZINC000071681441 221354438 /nfs/dbraw/zinc/35/44/38/221354438.db2.gz LJUVLMQWATXXES-UHFFFAOYSA-N 1 2 366.469 2.326 50 0 FEAALO Cc1c2ccccc2[nH]c1C[N@H+]1CCn2nc(CNC(=O)N(C)C)cc2C1 ZINC000082099262 542683618 /nfs/dbraw/zinc/68/36/18/542683618.db2.gz ALJVESSJJFPMKD-UHFFFAOYSA-N 1 2 366.469 2.460 50 0 FEAALO Cc1c2ccccc2[nH]c1C[N@@H+]1CCn2nc(CNC(=O)N(C)C)cc2C1 ZINC000082099262 542683622 /nfs/dbraw/zinc/68/36/22/542683622.db2.gz ALJVESSJJFPMKD-UHFFFAOYSA-N 1 2 366.469 2.460 50 0 FEAALO CC(=O)NCc1cc2n(n1)CC[N@H+](Cc1cn(-c3ccccc3)nc1C)C2 ZINC000082138644 542685151 /nfs/dbraw/zinc/68/51/51/542685151.db2.gz YYFGEPAVSDFLQU-UHFFFAOYSA-N 1 2 364.453 2.029 50 0 FEAALO CC(=O)NCc1cc2n(n1)CC[N@@H+](Cc1cn(-c3ccccc3)nc1C)C2 ZINC000082138644 542685155 /nfs/dbraw/zinc/68/51/55/542685155.db2.gz YYFGEPAVSDFLQU-UHFFFAOYSA-N 1 2 364.453 2.029 50 0 FEAALO C[NH+](C)Cc1nnc(C2CCN(C(=O)c3ccncc3)CC2)n1C1CC1 ZINC000082137515 542685299 /nfs/dbraw/zinc/68/52/99/542685299.db2.gz LSFJUSYSYBGJMP-UHFFFAOYSA-N 1 2 354.458 2.089 50 0 FEAALO Cn1nc(Br)c2c1nc[nH+]c2N[C@@H]1CCCCC[C@H]1CO ZINC000084310290 542711095 /nfs/dbraw/zinc/71/10/95/542711095.db2.gz HEFVKMLSGYCKMT-VHSXEESVSA-N 1 2 354.252 2.479 50 0 FEAALO NC(=O)c1cc2c([nH+]c1N1CCC[C@@]3(CCC(=O)N(C4CC4)C3)C1)CCC2 ZINC000077320620 132180506 /nfs/dbraw/zinc/18/05/06/132180506.db2.gz AFVMKRZMRDWNNF-OAQYLSRUSA-N 1 2 368.481 2.041 50 0 FEAALO Cc1ccc2[nH+]c(CN3CCN(c4ccc5c[nH]nc5c4)C(=O)C3)cn2c1 ZINC000091655965 132203063 /nfs/dbraw/zinc/20/30/63/132203063.db2.gz BQZMHGBPTKHARX-UHFFFAOYSA-N 1 2 360.421 2.368 50 0 FEAALO COc1cccc(N2C[C@@H](Cc3ccccc3)[N@H+](CCCO)CC2=O)c1 ZINC000091848349 132204447 /nfs/dbraw/zinc/20/44/47/132204447.db2.gz LXHXIBGBUZRFLV-LJQANCHMSA-N 1 2 354.450 2.338 50 0 FEAALO COc1cccc(N2C[C@@H](Cc3ccccc3)[N@@H+](CCCO)CC2=O)c1 ZINC000091848349 132204448 /nfs/dbraw/zinc/20/44/48/132204448.db2.gz LXHXIBGBUZRFLV-LJQANCHMSA-N 1 2 354.450 2.338 50 0 FEAALO CCS(=O)(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1N ZINC000095932357 132215855 /nfs/dbraw/zinc/21/58/55/132215855.db2.gz VSFZZCFEGIKUHD-UHFFFAOYSA-N 1 2 359.495 2.385 50 0 FEAALO CCn1nc(C)c(CCNC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)c1C ZINC000096179804 132221867 /nfs/dbraw/zinc/22/18/67/132221867.db2.gz DQRAVGHZAVVVLN-KRWDZBQOSA-N 1 2 355.486 2.490 50 0 FEAALO COc1ccc(C[N@@H+]2CCN(c3ccc(C)nn3)C[C@@H]2CCO)c(F)c1 ZINC000106990190 132240873 /nfs/dbraw/zinc/24/08/73/132240873.db2.gz SFBIGYVOGIOVFP-INIZCTEOSA-N 1 2 360.433 2.006 50 0 FEAALO COc1ccc(C[N@H+]2CCN(c3ccc(C)nn3)C[C@@H]2CCO)c(F)c1 ZINC000106990190 132240874 /nfs/dbraw/zinc/24/08/74/132240874.db2.gz SFBIGYVOGIOVFP-INIZCTEOSA-N 1 2 360.433 2.006 50 0 FEAALO Cc1nc([C@H]2CCC[N@H+](CCN3CCN(c4ccccc4)CC3)C2)n[nH]1 ZINC000244594082 132290010 /nfs/dbraw/zinc/29/00/10/132290010.db2.gz DGDRMBIKDQEBRM-SFHVURJKSA-N 1 2 354.502 2.115 50 0 FEAALO Cc1nc([C@H]2CCC[N@@H+](CCN3CCN(c4ccccc4)CC3)C2)n[nH]1 ZINC000244594082 132290011 /nfs/dbraw/zinc/29/00/11/132290011.db2.gz DGDRMBIKDQEBRM-SFHVURJKSA-N 1 2 354.502 2.115 50 0 FEAALO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1nnnn1-c1ccccc1Br ZINC000089761628 542770172 /nfs/dbraw/zinc/77/01/72/542770172.db2.gz WJMIZWOHVQJICW-CYBMUJFWSA-N 1 2 366.263 2.160 50 0 FEAALO CC(C)(O)[C@H]1CCC[N@H+]1Cc1nnnn1-c1ccccc1Br ZINC000089761628 542770178 /nfs/dbraw/zinc/77/01/78/542770178.db2.gz WJMIZWOHVQJICW-CYBMUJFWSA-N 1 2 366.263 2.160 50 0 FEAALO C[C@@H](c1ccccc1F)[NH+]1CCN([C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000089909722 542773127 /nfs/dbraw/zinc/77/31/27/542773127.db2.gz RWJAIAVZYAQHBG-KXBFYZLASA-N 1 2 371.460 2.043 50 0 FEAALO CC(C)c1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)nc2ncnn21 ZINC000091444968 542807948 /nfs/dbraw/zinc/80/79/48/542807948.db2.gz GMQQJOHOHANZDV-UHFFFAOYSA-N 1 2 361.409 2.363 50 0 FEAALO Cn1cc[nH+]c1C1CCN(C(=O)c2cnc3ccc(F)cc3c2O)CC1 ZINC000091915284 542832453 /nfs/dbraw/zinc/83/24/53/542832453.db2.gz WYUFQJKHPHFXKF-UHFFFAOYSA-N 1 2 354.385 2.421 50 0 FEAALO Cc1cnn(CC(=O)N2CCC[C@H](c3[nH+]ccn3Cc3cccnc3)C2)c1 ZINC000092045928 542841106 /nfs/dbraw/zinc/84/11/06/542841106.db2.gz LHBBSTFUPXLNMB-SFHVURJKSA-N 1 2 364.453 2.238 50 0 FEAALO COc1ccccc1N1CC[NH+](CCNC(=O)c2ccc(F)cc2)CC1 ZINC000052969696 136124709 /nfs/dbraw/zinc/12/47/09/136124709.db2.gz GTATVXRFYOQYFS-UHFFFAOYSA-N 1 2 357.429 2.386 50 0 FEAALO Cc1ncc(-c2ccc(C)c(S(=O)(=O)N3CCc4[nH]c[nH+]c4C3)c2)o1 ZINC000095370252 542961747 /nfs/dbraw/zinc/96/17/47/542961747.db2.gz MTCVTBYOTLHRDK-UHFFFAOYSA-N 1 2 358.423 2.429 50 0 FEAALO Cc1ncc(-c2ccc(C)c(S(=O)(=O)N3CCc4[nH+]c[nH]c4C3)c2)o1 ZINC000095370252 542961750 /nfs/dbraw/zinc/96/17/50/542961750.db2.gz MTCVTBYOTLHRDK-UHFFFAOYSA-N 1 2 358.423 2.429 50 0 FEAALO COc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2O)CC1 ZINC000057614889 136129657 /nfs/dbraw/zinc/12/96/57/136129657.db2.gz NEPBAPQDQJOVDO-MRXNPFEDSA-N 1 2 369.465 2.228 50 0 FEAALO Cc1cc(C)n(-c2cc[nH+]c(N3CCC(C(=O)NCC4CC4)CC3)n2)n1 ZINC000065240367 136135711 /nfs/dbraw/zinc/13/57/11/136135711.db2.gz ZZTHFDMJPSFGDY-UHFFFAOYSA-N 1 2 354.458 2.022 50 0 FEAALO Cc1nc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCc3ccccn3)C2)cc[nH+]1 ZINC000072427151 136146645 /nfs/dbraw/zinc/14/66/45/136146645.db2.gz PJDJIYAHFIXSFK-FUHWJXTLSA-N 1 2 351.454 2.240 50 0 FEAALO COCCN(Cc1cccnc1)C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000075560734 136150852 /nfs/dbraw/zinc/15/08/52/136150852.db2.gz HSZGRADGTCBVJF-GOSISDBHSA-N 1 2 354.454 2.368 50 0 FEAALO Cc1nc2ccccc2n1CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000095357648 542959086 /nfs/dbraw/zinc/95/90/86/542959086.db2.gz BIPGSTMKPVLEPI-KRWDZBQOSA-N 1 2 356.470 2.058 50 0 FEAALO C[NH+](C)[C@H](C(=O)NC1(CN2CCOCC2)CCCC1)c1ccc(F)cc1 ZINC000095364589 542960635 /nfs/dbraw/zinc/96/06/35/542960635.db2.gz DOQRXQOCDSSKQX-SFHVURJKSA-N 1 2 363.477 2.190 50 0 FEAALO C[C@@H](c1cccc(F)c1)[NH+]1CCN(S(=O)(=O)C[C@H]2CCCO2)CC1 ZINC000095462082 542972053 /nfs/dbraw/zinc/97/20/53/542972053.db2.gz UJEGDSWZGQGJCN-WMLDXEAASA-N 1 2 356.463 2.013 50 0 FEAALO C[N@H+](CC(=O)N1CCc2[nH]c(-c3ccccc3)nc2C1)Cc1cccnc1 ZINC000095516474 542978169 /nfs/dbraw/zinc/97/81/69/542978169.db2.gz SMCKSPWIJGYRQW-UHFFFAOYSA-N 1 2 361.449 2.488 50 0 FEAALO C[N@@H+](CC(=O)N1CCc2[nH]c(-c3ccccc3)nc2C1)Cc1cccnc1 ZINC000095516474 542978172 /nfs/dbraw/zinc/97/81/72/542978172.db2.gz SMCKSPWIJGYRQW-UHFFFAOYSA-N 1 2 361.449 2.488 50 0 FEAALO COC(=O)CC[N@@H+]1CCN(C(=O)c2csc(-c3ccoc3)n2)C[C@@H]1C ZINC000095992836 542985359 /nfs/dbraw/zinc/98/53/59/542985359.db2.gz AKGASLTZIWSEHR-LBPRGKRZSA-N 1 2 363.439 2.113 50 0 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/nfs/dbraw/zinc/02/53/80/210025380.db2.gz DCZCULFSWAEXCA-UHFFFAOYSA-N 1 2 370.424 2.448 50 0 FEAALO Cc1cnn(C2CCCC2)c1NC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000299768032 210016885 /nfs/dbraw/zinc/01/68/85/210016885.db2.gz FDABWXCHJTWEKA-UHFFFAOYSA-N 1 2 371.489 2.390 50 0 FEAALO CCOC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc(C(=O)OC)cc3)no2)C1 ZINC000012754351 539572864 /nfs/dbraw/zinc/57/28/64/539572864.db2.gz TVHREBFKMLRXSW-HNNXBMFYSA-N 1 2 373.409 2.298 50 0 FEAALO CCOC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(C(=O)OC)cc3)no2)C1 ZINC000012754351 539572867 /nfs/dbraw/zinc/57/28/67/539572867.db2.gz TVHREBFKMLRXSW-HNNXBMFYSA-N 1 2 373.409 2.298 50 0 FEAALO CO[C@]12CCN(C(=O)CCn3c(C)[nH+]c4ccccc43)[C@H]1C[C@@H](O)CC2 ZINC000299765050 210015892 /nfs/dbraw/zinc/01/58/92/210015892.db2.gz ZSDMSWDOUKNRCC-ZAAXVRCTSA-N 1 2 357.454 2.266 50 0 FEAALO Cc1nc2ccccc2nc1N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000012978418 539580254 /nfs/dbraw/zinc/58/02/54/539580254.db2.gz LAXCGEGPCRGJCH-UHFFFAOYSA-N 1 2 367.497 2.463 50 0 FEAALO CCCOc1c(CNC(=O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1OC ZINC000299755521 210008197 /nfs/dbraw/zinc/00/81/97/210008197.db2.gz DVAYDPWQKLUHDL-GASCZTMLSA-N 1 2 350.459 2.209 50 0 FEAALO CCCOc1c(CNC(=O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1OC ZINC000299755521 210008201 /nfs/dbraw/zinc/00/82/01/210008201.db2.gz DVAYDPWQKLUHDL-GASCZTMLSA-N 1 2 350.459 2.209 50 0 FEAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1cccc2nsnc21 ZINC000019077118 539651890 /nfs/dbraw/zinc/65/18/90/539651890.db2.gz NWJWNSPXDUOYAI-UHFFFAOYSA-N 1 2 353.451 2.452 50 0 FEAALO O=C1C[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000019335353 539655412 /nfs/dbraw/zinc/65/54/12/539655412.db2.gz BTQIPKUJKRCZMO-GOSISDBHSA-N 1 2 371.387 2.419 50 0 FEAALO O=S(=O)(c1ccccc1F)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000023718442 539719463 /nfs/dbraw/zinc/71/94/63/539719463.db2.gz GQWCBXMBOJFAGC-UHFFFAOYSA-N 1 2 364.442 2.211 50 0 FEAALO CC(C)N1C(=O)C(=O)N(C[N@H+](C)Cc2ccccc2N2CCCCC2)C1=O ZINC000023652620 539718477 /nfs/dbraw/zinc/71/84/77/539718477.db2.gz QPDCBUWHULKNLT-UHFFFAOYSA-N 1 2 372.469 2.265 50 0 FEAALO CC(C)N1C(=O)C(=O)N(C[N@@H+](C)Cc2ccccc2N2CCCCC2)C1=O ZINC000023652620 539718479 /nfs/dbraw/zinc/71/84/79/539718479.db2.gz QPDCBUWHULKNLT-UHFFFAOYSA-N 1 2 372.469 2.265 50 0 FEAALO Cc1ccc(S(=O)(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)cc1C ZINC000024976549 539745294 /nfs/dbraw/zinc/74/52/94/539745294.db2.gz ALFCOVVVCVJOGC-KRWDZBQOSA-N 1 2 354.516 2.329 50 0 FEAALO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1ccc(Br)o1 ZINC000025290210 539754175 /nfs/dbraw/zinc/75/41/75/539754175.db2.gz MWQFGXXTYADAAA-UHFFFAOYSA-N 1 2 366.215 2.204 50 0 FEAALO CN(C)c1cccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000025264730 539752725 /nfs/dbraw/zinc/75/27/25/539752725.db2.gz FQBCAGNRQSGELM-UHFFFAOYSA-N 1 2 367.449 2.439 50 0 FEAALO C[NH+](C)[C@H](CNC(=O)c1cccc(S(C)(=O)=O)c1)c1ccsc1 ZINC000025329508 539756202 /nfs/dbraw/zinc/75/62/02/539756202.db2.gz NBROCUOOUPGIKV-OAHLLOKOSA-N 1 2 352.481 2.184 50 0 FEAALO Cc1ccc(C)c(S(=O)(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)c1 ZINC000026233929 539781466 /nfs/dbraw/zinc/78/14/66/539781466.db2.gz JUBRGSMZJZBQCB-QGZVFWFLSA-N 1 2 354.516 2.329 50 0 FEAALO Cc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCOCC2)s1 ZINC000026358069 539785143 /nfs/dbraw/zinc/78/51/43/539785143.db2.gz UYGRVEPHLAYNND-UHFFFAOYSA-N 1 2 366.508 2.367 50 0 FEAALO CC1=C(C(N)=O)[C@@H](c2ccccc2OCc2ccccc2)N2NC=NC2=[NH+]1 ZINC000000936895 219342416 /nfs/dbraw/zinc/34/24/16/219342416.db2.gz BJVCOKIFCURMHH-GOSISDBHSA-N 1 2 361.405 2.284 50 0 FEAALO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C12CC3CC(CC(C3)C1)C2 ZINC000027566184 539810204 /nfs/dbraw/zinc/81/02/04/539810204.db2.gz RAHDGKQQMFVOKU-PIKUFOSFSA-N 1 2 361.530 2.260 50 0 FEAALO C[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C(=O)N(C)C)C12CC3CC(CC(C3)C1)C2 ZINC000027566184 539810208 /nfs/dbraw/zinc/81/02/08/539810208.db2.gz RAHDGKQQMFVOKU-PIKUFOSFSA-N 1 2 361.530 2.260 50 0 FEAALO COc1cc(OC)cc(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1 ZINC000028922508 539839872 /nfs/dbraw/zinc/83/98/72/539839872.db2.gz DFSUUDVBRHCLSG-FQEVSTJZSA-N 1 2 370.449 2.195 50 0 FEAALO Cc1ccc(C)c(-n2ncc3c2ncnc3NCC[NH+]2CCOCC2)c1 ZINC000032620480 539945223 /nfs/dbraw/zinc/94/52/23/539945223.db2.gz UFYKFTZWUWMATK-UHFFFAOYSA-N 1 2 352.442 2.176 50 0 FEAALO O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000032817003 539954711 /nfs/dbraw/zinc/95/47/11/539954711.db2.gz LRLIWMRHMSGAEA-QGZVFWFLSA-N 1 2 369.490 2.445 50 0 FEAALO Cc1nn(-c2ccc(Cl)cc2)c(C)c1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000036359714 539989040 /nfs/dbraw/zinc/98/90/40/539989040.db2.gz PYVDVZWIPNEHJZ-UHFFFAOYSA-N 1 2 368.890 2.079 50 0 FEAALO CCN(C(=O)C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1)C1CC1 ZINC000040120340 540007006 /nfs/dbraw/zinc/00/70/06/540007006.db2.gz AAKHHOJKBDPJQL-LJQANCHMSA-N 1 2 355.482 2.047 50 0 FEAALO CCN(C(=O)C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1)C1CC1 ZINC000040120340 540007008 /nfs/dbraw/zinc/00/70/08/540007008.db2.gz AAKHHOJKBDPJQL-LJQANCHMSA-N 1 2 355.482 2.047 50 0 FEAALO CCOc1c(Br)cc(C(=O)NCCn2cc[nH+]c2)cc1OC ZINC000043946363 540115855 /nfs/dbraw/zinc/11/58/55/540115855.db2.gz GGDVSXSAYMZRFG-UHFFFAOYSA-N 1 2 368.231 2.483 50 0 FEAALO C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000049538509 540390063 /nfs/dbraw/zinc/39/00/63/540390063.db2.gz OJOVYKHIXCPHFT-OAHLLOKOSA-N 1 2 374.485 2.061 50 0 FEAALO Cc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC(=O)OCc1ccccc1 ZINC000055421969 540652681 /nfs/dbraw/zinc/65/26/81/540652681.db2.gz CCOYRJYYDRTOML-LJQANCHMSA-N 1 2 352.434 2.429 50 0 FEAALO Cc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(=O)OCc1ccccc1 ZINC000055421969 540652684 /nfs/dbraw/zinc/65/26/84/540652684.db2.gz CCOYRJYYDRTOML-LJQANCHMSA-N 1 2 352.434 2.429 50 0 FEAALO C[C@H](C(=O)Nc1ccc(F)c(F)c1F)[NH+]1CCC(C(=O)NC2CC2)CC1 ZINC000055915187 540687008 /nfs/dbraw/zinc/68/70/08/540687008.db2.gz HGFIOPMPVQGHCF-SNVBAGLBSA-N 1 2 369.387 2.422 50 0 FEAALO O=C(C[NH+]1CCC(c2nnc(C3CC3)[nH]2)CC1)NC(=O)Nc1ccccc1 ZINC000058224999 540835294 /nfs/dbraw/zinc/83/52/94/540835294.db2.gz UAZZYRITIXIZQU-UHFFFAOYSA-N 1 2 368.441 2.210 50 0 FEAALO O=C(C[NH+]1CCC(c2nc(C3CC3)n[nH]2)CC1)NC(=O)Nc1ccccc1 ZINC000058224999 540835296 /nfs/dbraw/zinc/83/52/96/540835296.db2.gz UAZZYRITIXIZQU-UHFFFAOYSA-N 1 2 368.441 2.210 50 0 FEAALO O=C(C[NH+]1CCC(c2n[nH]c(C3CC3)n2)CC1)NC(=O)Nc1ccccc1 ZINC000058224999 540835298 /nfs/dbraw/zinc/83/52/98/540835298.db2.gz UAZZYRITIXIZQU-UHFFFAOYSA-N 1 2 368.441 2.210 50 0 FEAALO Cc1nc2c(c(N(C)C)n1)CCN(C(=O)[C@H](c1ccccc1F)[NH+](C)C)C2 ZINC000072145321 541787774 /nfs/dbraw/zinc/78/77/74/541787774.db2.gz XPQFSLRPKBFFSX-SFHVURJKSA-N 1 2 371.460 2.178 50 0 FEAALO COc1ccc(OC)c(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000072164384 541793334 /nfs/dbraw/zinc/79/33/34/541793334.db2.gz NGYJTLLCZNGUQR-HNNXBMFYSA-N 1 2 363.458 2.422 50 0 FEAALO CC[C@@H](Nc1[nH+]cnc2c1cnn2CC(=O)OC)[C@H](O)c1ccccc1F ZINC000072304136 541797627 /nfs/dbraw/zinc/79/76/27/541797627.db2.gz CZLIJJUYAJPIMX-GDBMZVCRSA-N 1 2 373.388 2.063 50 0 FEAALO Cc1ccc(C(=O)N2CCC[C@@H](c3nnc(C[NH+]4CCCC4)n3C)C2)cn1 ZINC000072412141 541807413 /nfs/dbraw/zinc/80/74/13/541807413.db2.gz JLDDTWOXPOOABN-QGZVFWFLSA-N 1 2 368.485 2.134 50 0 FEAALO O=C([O-])C1(n2cc[nH+]c2)CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000072438792 541815009 /nfs/dbraw/zinc/81/50/09/541815009.db2.gz OSWBZVQDMLDLMQ-UHFFFAOYSA-N 1 2 351.410 2.145 50 0 FEAALO Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCCN(C(=O)c2ccc[nH]2)C1 ZINC000072470280 541818877 /nfs/dbraw/zinc/81/88/77/541818877.db2.gz GFKWQDQTXNBRKQ-HNNXBMFYSA-N 1 2 356.474 2.149 50 0 FEAALO CC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC[C@@H](C)c2nc3ccccc3s2)C1 ZINC000058332442 212004894 /nfs/dbraw/zinc/00/48/94/212004894.db2.gz DHNLMXPZZIKPHM-HIFRSBDPSA-N 1 2 374.510 2.117 50 0 FEAALO CC(=O)N[C@H]1CCC[N@H+](CC(=O)NC[C@@H](C)c2nc3ccccc3s2)C1 ZINC000058332442 212004896 /nfs/dbraw/zinc/00/48/96/212004896.db2.gz DHNLMXPZZIKPHM-HIFRSBDPSA-N 1 2 374.510 2.117 50 0 FEAALO C[N@H+](CCOc1ccccc1F)CC(=O)Nc1nnc([C@H]2CCCO2)o1 ZINC000058307059 212003864 /nfs/dbraw/zinc/00/38/64/212003864.db2.gz VQOVUOWAWXJPKZ-CQSZACIVSA-N 1 2 364.377 2.010 50 0 FEAALO C[N@@H+](CCOc1ccccc1F)CC(=O)Nc1nnc([C@H]2CCCO2)o1 ZINC000058307059 212003872 /nfs/dbraw/zinc/00/38/72/212003872.db2.gz VQOVUOWAWXJPKZ-CQSZACIVSA-N 1 2 364.377 2.010 50 0 FEAALO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(SC)ccc2Cl)CC1 ZINC000058295814 212003245 /nfs/dbraw/zinc/00/32/45/212003245.db2.gz IPLPCMVAMCPOAU-UHFFFAOYSA-N 1 2 369.918 2.346 50 0 FEAALO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(SC)ccc2Cl)CC1 ZINC000058295814 212003248 /nfs/dbraw/zinc/00/32/48/212003248.db2.gz IPLPCMVAMCPOAU-UHFFFAOYSA-N 1 2 369.918 2.346 50 0 FEAALO Cc1ccc([C@@H](CNc2cncc(-n3cccn3)n2)[NH+]2CCOCC2)o1 ZINC000058297387 212002601 /nfs/dbraw/zinc/00/26/01/212002601.db2.gz UUIVWXQFBZWSEO-OAHLLOKOSA-N 1 2 354.414 2.049 50 0 FEAALO C[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(c1ccccc1)c1ccccc1 ZINC000016340811 220182170 /nfs/dbraw/zinc/18/21/70/220182170.db2.gz UPELQJRQOKAKRC-GOSISDBHSA-N 1 2 372.490 2.011 50 0 FEAALO C[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(c1ccccc1)c1ccccc1 ZINC000016340811 220182175 /nfs/dbraw/zinc/18/21/75/220182175.db2.gz UPELQJRQOKAKRC-GOSISDBHSA-N 1 2 372.490 2.011 50 0 FEAALO CCOc1ccc(-c2cc(C(=O)NC[C@H](C)[NH+]3CCOCC3)no2)cc1 ZINC000032594048 211552133 /nfs/dbraw/zinc/55/21/33/211552133.db2.gz GOSLYYPPLNWRMO-AWEZNQCLSA-N 1 2 359.426 2.191 50 0 FEAALO C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000075968264 542220628 /nfs/dbraw/zinc/22/06/28/542220628.db2.gz RFHCUPSFOHHEGV-JKSUJKDBSA-N 1 2 356.532 2.115 50 0 FEAALO C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCCC2(C1)CCCCCC2 ZINC000075968264 542220631 /nfs/dbraw/zinc/22/06/31/542220631.db2.gz RFHCUPSFOHHEGV-JKSUJKDBSA-N 1 2 356.532 2.115 50 0 FEAALO O=C1C(=O)N(C2CCCC2)C(=O)N1C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000023642111 211393353 /nfs/dbraw/zinc/39/33/53/211393353.db2.gz COTIKNGXSAYAHB-UHFFFAOYSA-N 1 2 359.401 2.481 50 0 FEAALO O=C1C(=O)N(C2CCCC2)C(=O)N1C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000023642111 211393358 /nfs/dbraw/zinc/39/33/58/211393358.db2.gz COTIKNGXSAYAHB-UHFFFAOYSA-N 1 2 359.401 2.481 50 0 FEAALO Cc1cnc(N(C)Cc2[nH+]ccn2Cc2ccccc2)nc1-c1ncnn1C ZINC000023619413 211391729 /nfs/dbraw/zinc/39/17/29/211391729.db2.gz JLWSUEIPADIMEQ-UHFFFAOYSA-N 1 2 374.452 2.462 50 0 FEAALO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000023389394 211385629 /nfs/dbraw/zinc/38/56/29/211385629.db2.gz GFMXQLFUXNISAE-INIZCTEOSA-N 1 2 367.449 2.412 50 0 FEAALO Cc1cccc(C)c1OC[C@@H](O)C[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000023389394 211385631 /nfs/dbraw/zinc/38/56/31/211385631.db2.gz GFMXQLFUXNISAE-INIZCTEOSA-N 1 2 367.449 2.412 50 0 FEAALO CC[NH+](CC)[C@@H](CNC(=O)CNC(=O)c1ccccc1)Cc1ccccc1 ZINC000023197519 211379778 /nfs/dbraw/zinc/37/97/78/211379778.db2.gz UNIGNDDPSNVEMT-HXUWFJFHSA-N 1 2 367.493 2.486 50 0 FEAALO O=C(CN1CC[NH+](Cc2ccc(F)cc2)CC1)Nc1cccc2nonc21 ZINC000022752134 211362111 /nfs/dbraw/zinc/36/21/11/211362111.db2.gz AXMJELSKRTUVDE-UHFFFAOYSA-N 1 2 369.400 2.118 50 0 FEAALO CCOC(=O)Cn1nnnc1[C@@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000015413614 211129273 /nfs/dbraw/zinc/12/92/73/211129273.db2.gz KNUBPPXHYZEMLV-SFHVURJKSA-N 1 2 351.410 2.115 50 0 FEAALO CCOc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCCCCC1 ZINC000015065672 211116264 /nfs/dbraw/zinc/11/62/64/211116264.db2.gz HKWAVGJVCMOVBD-SFHVURJKSA-N 1 2 373.497 2.178 50 0 FEAALO CCOc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCCCCC1 ZINC000015065672 211116267 /nfs/dbraw/zinc/11/62/67/211116267.db2.gz HKWAVGJVCMOVBD-SFHVURJKSA-N 1 2 373.497 2.178 50 0 FEAALO Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)N2CCCCCCC2)cc1 ZINC000014954202 211105546 /nfs/dbraw/zinc/10/55/46/211105546.db2.gz WAGODFGSVRRUSL-LJQANCHMSA-N 1 2 357.498 2.478 50 0 FEAALO Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)N2CCCCCCC2)cc1 ZINC000014954202 211105552 /nfs/dbraw/zinc/10/55/52/211105552.db2.gz WAGODFGSVRRUSL-LJQANCHMSA-N 1 2 357.498 2.478 50 0 FEAALO Cc1ccc(C)c(S(=O)(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000014098624 211073179 /nfs/dbraw/zinc/07/31/79/211073179.db2.gz LTBRAFNENZDLIN-HZPDHXFCSA-N 1 2 354.516 2.470 50 0 FEAALO O=C(C[NH+]1CCN(C(=O)N[C@H](c2ccccc2)C2CC2)CC1)N1CCCC1 ZINC000037198729 211039756 /nfs/dbraw/zinc/03/97/56/211039756.db2.gz XFACUTRTRFARBH-HXUWFJFHSA-N 1 2 370.497 2.087 50 0 FEAALO CC(C)c1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000012974586 211013668 /nfs/dbraw/zinc/01/36/68/211013668.db2.gz LDDKFUJKJOYSIN-OAHLLOKOSA-N 1 2 367.515 2.152 50 0 FEAALO CC(C)c1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000012974586 211013672 /nfs/dbraw/zinc/01/36/72/211013672.db2.gz LDDKFUJKJOYSIN-OAHLLOKOSA-N 1 2 367.515 2.152 50 0 FEAALO O=C(C1CC[NH+](Cc2nccn2Cc2ccccc2)CC1)N1CCOCC1 ZINC000076875864 542327738 /nfs/dbraw/zinc/32/77/38/542327738.db2.gz FUAGHIWQBYRFCO-UHFFFAOYSA-N 1 2 368.481 2.002 50 0 FEAALO CCCSCC(=O)N1CCC(c2nnc(C[NH+]3CCCC3)n2C)CC1 ZINC000077322925 542367992 /nfs/dbraw/zinc/36/79/92/542367992.db2.gz KYJDXYONHGVEFS-UHFFFAOYSA-N 1 2 365.547 2.260 50 0 FEAALO Cn1c(C[NH+](C)C)nnc1C1CCN(C(=O)c2ccc3c(c2)CCC3)CC1 ZINC000077523006 542391975 /nfs/dbraw/zinc/39/19/75/542391975.db2.gz AOUGZRRGJWCNEE-UHFFFAOYSA-N 1 2 367.497 2.385 50 0 FEAALO CCn1c(N)nc2cc(C(=O)N3CCC(Nc4cccc[nH+]4)CC3)cnc21 ZINC000077505623 542389663 /nfs/dbraw/zinc/38/96/63/542389663.db2.gz UUCQRPIJVKJJME-UHFFFAOYSA-N 1 2 365.441 2.145 50 0 FEAALO CC(=O)Nc1ccc(N2C(=O)C[C@H]([N@@H+]3CCc4ccccc4C3)C2=O)cc1 ZINC000000920650 210291117 /nfs/dbraw/zinc/29/11/17/210291117.db2.gz VZZFWABQPUJRGX-IBGZPJMESA-N 1 2 363.417 2.335 50 0 FEAALO CC(=O)Nc1ccc(N2C(=O)C[C@H]([N@H+]3CCc4ccccc4C3)C2=O)cc1 ZINC000000920650 210291122 /nfs/dbraw/zinc/29/11/22/210291122.db2.gz VZZFWABQPUJRGX-IBGZPJMESA-N 1 2 363.417 2.335 50 0 FEAALO O=C(c1ccc2nsnc2c1)N1CC[NH+](C[C@@H](O)c2cccs2)CC1 ZINC000049031247 221017060 /nfs/dbraw/zinc/01/70/60/221017060.db2.gz XSNBCAXEMQFVII-OAHLLOKOSA-N 1 2 374.491 2.244 50 0 FEAALO Cc1cc(C[N@@H+](C)Cc2nc(N)nc(N)n2)cc(C)c1OCC(F)(F)F ZINC000054395213 221053239 /nfs/dbraw/zinc/05/32/39/221053239.db2.gz ODLLYRFLVNMNFH-UHFFFAOYSA-N 1 2 370.379 2.226 50 0 FEAALO Cc1cc(C[N@H+](C)Cc2nc(N)nc(N)n2)cc(C)c1OCC(F)(F)F ZINC000054395213 221053241 /nfs/dbraw/zinc/05/32/41/221053241.db2.gz ODLLYRFLVNMNFH-UHFFFAOYSA-N 1 2 370.379 2.226 50 0 FEAALO CCOC(=O)C1CCN(C(=O)CCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000065269653 221191109 /nfs/dbraw/zinc/19/11/09/221191109.db2.gz IEOVLJJKCDAXBS-UHFFFAOYSA-N 1 2 359.470 2.416 50 0 FEAALO O=C(Cn1ncc2c1nc[nH+]c2N1CCCC1)Nc1cc(F)cc(F)c1 ZINC000065294981 221197158 /nfs/dbraw/zinc/19/71/58/221197158.db2.gz VWDKTEYOTNMKJY-UHFFFAOYSA-N 1 2 358.352 2.343 50 0 FEAALO Cc1ccc(NC(=O)C[N@@H+](Cc2ccncc2)C[C@@H]2CCC(=O)N2)cc1C ZINC000065460296 221222166 /nfs/dbraw/zinc/22/21/66/221222166.db2.gz KSBMNFJNKUMEOJ-IBGZPJMESA-N 1 2 366.465 2.418 50 0 FEAALO Cc1ccc(NC(=O)C[N@H+](Cc2ccncc2)C[C@@H]2CCC(=O)N2)cc1C ZINC000065460296 221222167 /nfs/dbraw/zinc/22/21/67/221222167.db2.gz KSBMNFJNKUMEOJ-IBGZPJMESA-N 1 2 366.465 2.418 50 0 FEAALO CCn1nc(C)c(NC(=O)C[NH2+]Cc2nc(C)c3c(n2)CCCC3)c1C ZINC000065491592 221226262 /nfs/dbraw/zinc/22/62/62/221226262.db2.gz DHASTRWAMYOVGS-UHFFFAOYSA-N 1 2 356.474 2.225 50 0 FEAALO Cc1nc(-n2cccn2)cc(N2CC[NH+](Cc3cc(C(C)C)no3)CC2)n1 ZINC000065527340 221231040 /nfs/dbraw/zinc/23/10/40/221231040.db2.gz DCQGXXKMKKSQFE-UHFFFAOYSA-N 1 2 367.457 2.404 50 0 FEAALO CCOC(=O)C1C(C[NH+]2CCCC2)=NC(=O)N[C@H]1c1ccc(F)c(F)c1 ZINC000067285922 221251025 /nfs/dbraw/zinc/25/10/25/221251025.db2.gz QZADEVXFMHEQDK-INIZCTEOSA-N 1 2 365.380 2.232 50 0 FEAALO CCn1c(=O)[nH]nc1[C@@H]1CCC[N@H+](Cc2c(Cl)nc3sccn23)C1 ZINC000067725205 221277645 /nfs/dbraw/zinc/27/76/45/221277645.db2.gz HJXTUXSDBWXBIN-SNVBAGLBSA-N 1 2 366.878 2.334 50 0 FEAALO CCn1c(=O)[nH]nc1[C@@H]1CCC[N@@H+](Cc2c(Cl)nc3sccn23)C1 ZINC000067725205 221277647 /nfs/dbraw/zinc/27/76/47/221277647.db2.gz HJXTUXSDBWXBIN-SNVBAGLBSA-N 1 2 366.878 2.334 50 0 FEAALO Cc1c([C@H]2c3[nH]cnc3CC[N@H+]2Cc2cc3ccccc3[nH]c2=O)cnn1C ZINC000067785619 221284001 /nfs/dbraw/zinc/28/40/01/221284001.db2.gz OLHYJTLNACFQBL-FQEVSTJZSA-N 1 2 374.448 2.441 50 0 FEAALO Cc1c([C@H]2c3[nH]cnc3CC[N@@H+]2Cc2cc3ccccc3[nH]c2=O)cnn1C ZINC000067785619 221284004 /nfs/dbraw/zinc/28/40/04/221284004.db2.gz OLHYJTLNACFQBL-FQEVSTJZSA-N 1 2 374.448 2.441 50 0 FEAALO CN(Cc1cc(-c2cccs2)n[nH]1)C(=O)c1cc2n(n1)CCC[N@H+](C)C2 ZINC000067872938 221300213 /nfs/dbraw/zinc/30/02/13/221300213.db2.gz WXPIKXSJPCKQDG-UHFFFAOYSA-N 1 2 370.482 2.442 50 0 FEAALO CN(Cc1cc(-c2cccs2)n[nH]1)C(=O)c1cc2n(n1)CCC[N@@H+](C)C2 ZINC000067872938 221300216 /nfs/dbraw/zinc/30/02/16/221300216.db2.gz WXPIKXSJPCKQDG-UHFFFAOYSA-N 1 2 370.482 2.442 50 0 FEAALO C[N@H+](Cc1cc(C(=O)N[C@@H](CO)c2cccnc2)no1)Cc1ccccc1 ZINC000067895339 221302860 /nfs/dbraw/zinc/30/28/60/221302860.db2.gz IUBXQJFXHUGEAS-IBGZPJMESA-N 1 2 366.421 2.165 50 0 FEAALO C[N@@H+](Cc1cc(C(=O)N[C@@H](CO)c2cccnc2)no1)Cc1ccccc1 ZINC000067895339 221302864 /nfs/dbraw/zinc/30/28/64/221302864.db2.gz IUBXQJFXHUGEAS-IBGZPJMESA-N 1 2 366.421 2.165 50 0 FEAALO NC(=O)c1cncc(NCc2ccc[nH+]c2N2CCc3ccccc3C2)n1 ZINC000067967834 221310841 /nfs/dbraw/zinc/31/08/41/221310841.db2.gz RBPKWHSKNWUNSS-UHFFFAOYSA-N 1 2 360.421 2.145 50 0 FEAALO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2sccc2-c2ccc(F)cc2)C1 ZINC000068463816 221315671 /nfs/dbraw/zinc/31/56/71/221315671.db2.gz QBJOYIWSOMGLCS-CQSZACIVSA-N 1 2 361.442 2.234 50 0 FEAALO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2sccc2-c2ccc(F)cc2)C1 ZINC000068463816 221315672 /nfs/dbraw/zinc/31/56/72/221315672.db2.gz QBJOYIWSOMGLCS-CQSZACIVSA-N 1 2 361.442 2.234 50 0 FEAALO CC[C@@H]1C[N@H+](Cc2cnc(OC)nc2)CCC(=O)N1Cc1ccccc1 ZINC000071416054 221346824 /nfs/dbraw/zinc/34/68/24/221346824.db2.gz OKCGBNBLAHGGMI-GOSISDBHSA-N 1 2 354.454 2.498 50 0 FEAALO CC[C@@H]1C[N@@H+](Cc2cnc(OC)nc2)CCC(=O)N1Cc1ccccc1 ZINC000071416054 221346827 /nfs/dbraw/zinc/34/68/27/221346827.db2.gz OKCGBNBLAHGGMI-GOSISDBHSA-N 1 2 354.454 2.498 50 0 FEAALO O=S(=O)(NCc1ccccc1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000071748878 221361453 /nfs/dbraw/zinc/36/14/53/221361453.db2.gz IQUAKEUUGCRQIC-GOSISDBHSA-N 1 2 356.451 2.249 50 0 FEAALO Cc1cn2cc(C(=O)N3CCCN(C(=O)c4ccoc4)CC3)ccc2[nH+]1 ZINC000082107074 542684703 /nfs/dbraw/zinc/68/47/03/542684703.db2.gz JQRYKUSAONAEJJ-UHFFFAOYSA-N 1 2 352.394 2.224 50 0 FEAALO Cn1c(C[NH+]2CCCCC2)nnc1C1CCN(c2ncc(F)cn2)CC1 ZINC000096132474 132219816 /nfs/dbraw/zinc/21/98/16/132219816.db2.gz KXUNVQOQZMIZER-UHFFFAOYSA-N 1 2 359.453 2.114 50 0 FEAALO O=C1C[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000100043374 132231915 /nfs/dbraw/zinc/23/19/15/132231915.db2.gz BTQIPKUJKRCZMO-SFHVURJKSA-N 1 2 371.387 2.419 50 0 FEAALO Cc1cccc(N2C[C@H](C)N(C(=O)CC3=CSC4=[NH+]CCN34)CC2=O)c1 ZINC000102329705 132234886 /nfs/dbraw/zinc/23/48/86/132234886.db2.gz TYIUSESDTWBFCC-AWEZNQCLSA-N 1 2 370.478 2.209 50 0 FEAALO Cc1nc(N2CCN(C(=O)c3cccs3)CC2)cc(C2CC(O)C2)[nH+]1 ZINC000219638248 132274801 /nfs/dbraw/zinc/27/48/01/132274801.db2.gz LEDLMSZCQZENFP-UHFFFAOYSA-N 1 2 358.467 2.047 50 0 FEAALO Cc1ccc(-c2ccnc(N3CC[C@@H]4OCc5cnnn5[C@H]4C3)n2)c(C)[nH+]1 ZINC000299797142 132300764 /nfs/dbraw/zinc/30/07/64/132300764.db2.gz PUFMOJRWSTYVNF-ROUUACIJSA-N 1 2 363.425 2.097 50 0 FEAALO O=C(NCCc1cccc(F)c1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000027337165 132916324 /nfs/dbraw/zinc/91/63/24/132916324.db2.gz QHCDYRNHLDNKDG-UHFFFAOYSA-N 1 2 358.417 2.099 50 0 FEAALO Cc1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3cccnc3)C2)n(C)n1 ZINC000091914608 542832582 /nfs/dbraw/zinc/83/25/82/542832582.db2.gz ONWAEPQPKFXSSS-QGZVFWFLSA-N 1 2 364.453 2.388 50 0 FEAALO CCN(C(=O)c1ccc(C[NH+]2CCC(C)CC2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000091965818 542834867 /nfs/dbraw/zinc/83/48/67/542834867.db2.gz DMFISEQOEJXYDX-HNNXBMFYSA-N 1 2 368.499 2.161 50 0 FEAALO COc1cccc(C(=O)NCC[NH+]2CCN(c3ccccc3OC)CC2)c1 ZINC000053084608 136124782 /nfs/dbraw/zinc/12/47/82/136124782.db2.gz LXCQKNOPMINDBU-UHFFFAOYSA-N 1 2 369.465 2.256 50 0 FEAALO CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccoc2C)C[N@@H+]1Cc1cccs1 ZINC000095376981 542964175 /nfs/dbraw/zinc/96/41/75/542964175.db2.gz QNKFXQDQQGNJEK-CJNGLKHVSA-N 1 2 361.467 2.159 50 0 FEAALO CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccoc2C)C[N@H+]1Cc1cccs1 ZINC000095376981 542964179 /nfs/dbraw/zinc/96/41/79/542964179.db2.gz QNKFXQDQQGNJEK-CJNGLKHVSA-N 1 2 361.467 2.159 50 0 FEAALO COc1cccc(CN(C)C(=O)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000069147214 136137940 /nfs/dbraw/zinc/13/79/40/136137940.db2.gz WVQHTDONEPWMGR-UHFFFAOYSA-N 1 2 353.466 2.476 50 0 FEAALO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000012553218 136152118 /nfs/dbraw/zinc/15/21/18/136152118.db2.gz HHWYIMBIDFGGNR-HNNXBMFYSA-N 1 2 359.449 2.325 50 0 FEAALO O=C([C@@H]1CCCN(c2cnccn2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000029757158 136153681 /nfs/dbraw/zinc/15/36/81/136153681.db2.gz QSSUIMVGDWITDD-MRXNPFEDSA-N 1 2 371.510 2.099 50 0 FEAALO C[C@@H](C[NH+]1CCOCC1)OC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000096010302 542987511 /nfs/dbraw/zinc/98/75/11/542987511.db2.gz NCYLKKSRUGPTIV-KRWDZBQOSA-N 1 2 355.434 2.186 50 0 FEAALO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)C1 ZINC000130428000 544150427 /nfs/dbraw/zinc/15/04/27/544150427.db2.gz UTJOECJLQARVSW-DOMZBBRYSA-N 1 2 364.829 2.247 50 0 FEAALO CCOC(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)C1 ZINC000130428000 544150429 /nfs/dbraw/zinc/15/04/29/544150429.db2.gz UTJOECJLQARVSW-DOMZBBRYSA-N 1 2 364.829 2.247 50 0 FEAALO CSCC[C@@H](O)C(=O)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000095526915 221952769 /nfs/dbraw/zinc/95/27/69/221952769.db2.gz LEYRPALYTUYQRP-QGZVFWFLSA-N 1 2 374.510 2.146 50 0 FEAALO COc1ccccc1[C@H](NC(=O)Nc1c[nH]c(=O)c(C)c1)c1[nH+]ccn1C ZINC000095975672 221984602 /nfs/dbraw/zinc/98/46/02/221984602.db2.gz MIYCAKHCPLETLS-INIZCTEOSA-N 1 2 367.409 2.337 50 0 FEAALO Cc1c[nH]c(C[N@@H+]2C[C@H]3C[NH+](C4CCCCC4)C[C@@]3(C(=O)[O-])C2)c(C)c1=O ZINC000096140862 222044113 /nfs/dbraw/zinc/04/41/13/222044113.db2.gz MNLRUCUUOHDLBQ-KKSFZXQISA-N 1 2 373.497 2.143 50 0 FEAALO 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CC(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@@H+](C)C3)cc1 ZINC000004087119 539376544 /nfs/dbraw/zinc/37/65/44/539376544.db2.gz MKEBLYJNIJYSBT-UHFFFAOYSA-N 1 2 357.435 2.290 50 0 FEAALO CC(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@H+](C)C3)cc1 ZINC000004087119 539376548 /nfs/dbraw/zinc/37/65/48/539376548.db2.gz MKEBLYJNIJYSBT-UHFFFAOYSA-N 1 2 357.435 2.290 50 0 FEAALO Cc1ccc2[nH+]c(-c3cccc(S(=O)(=O)N4CCOCC4)c3)cn2c1 ZINC000006143670 539422973 /nfs/dbraw/zinc/42/29/73/539422973.db2.gz IOJKRBRURJGAOZ-UHFFFAOYSA-N 1 2 357.435 2.331 50 0 FEAALO C[C@H]1Cc2ccccc2N1C(=O)C[NH+]1CCN(c2ccccc2O)CC1 ZINC000016481454 539632531 /nfs/dbraw/zinc/63/25/31/539632531.db2.gz DNHVHCKJXNFBSP-INIZCTEOSA-N 1 2 351.450 2.492 50 0 FEAALO O=C1C[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1cccc(F)c1 ZINC000020437897 539674826 /nfs/dbraw/zinc/67/48/26/539674826.db2.gz VOBSDLZDGLAKPQ-SFHVURJKSA-N 1 2 371.387 2.419 50 0 FEAALO CC(=O)c1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000022608514 539696650 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O=C(/C=C/c1ccccc1)N1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000029837524 539866414 /nfs/dbraw/zinc/86/64/14/539866414.db2.gz YFSQRUYTLKPHSG-MDZDMXLPSA-N 1 2 374.444 2.052 50 0 FEAALO O=C(CNC(=O)c1cccc(Cl)c1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000031315047 539904428 /nfs/dbraw/zinc/90/44/28/539904428.db2.gz ZKYDVALZSUJOBO-UHFFFAOYSA-N 1 2 372.856 2.381 50 0 FEAALO O=C(CCC(=O)c1ccc(F)cc1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000032017519 539926437 /nfs/dbraw/zinc/92/64/37/539926437.db2.gz XMAHYAXJHFZOBF-UHFFFAOYSA-N 1 2 371.412 2.337 50 0 FEAALO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000032434699 539939509 /nfs/dbraw/zinc/93/95/09/539939509.db2.gz LKUFPBDWFFISSZ-LBPRGKRZSA-N 1 2 364.870 2.114 50 0 FEAALO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000032434699 539939512 /nfs/dbraw/zinc/93/95/12/539939512.db2.gz LKUFPBDWFFISSZ-LBPRGKRZSA-N 1 2 364.870 2.114 50 0 FEAALO Cc1ccc(OC[C@H](O)Cn2c3ccccc3[nH+]c2NCCO)c(C)c1 ZINC000033014953 539963691 /nfs/dbraw/zinc/96/36/91/539963691.db2.gz 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GGPREJIBLOBYMO-CYBMUJFWSA-N 1 2 374.495 2.311 50 0 FEAALO COC(=O)c1ccc(S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000015329030 220151088 /nfs/dbraw/zinc/15/10/88/220151088.db2.gz JYSJSWLIMVIKSA-UHFFFAOYSA-N 1 2 358.375 2.427 50 0 FEAALO Cc1ccccc1C(=O)Nc1ccccc1C(=O)NCC[NH+]1CCOCC1 ZINC000016622623 220189284 /nfs/dbraw/zinc/18/92/84/220189284.db2.gz NMBWEAUZSHYQLI-UHFFFAOYSA-N 1 2 367.449 2.309 50 0 FEAALO Cc1cccc(Nc2nc(NCC[NH+]3CCOCC3)nc3c2cnn3C)c1 ZINC000017135439 220207657 /nfs/dbraw/zinc/20/76/57/220207657.db2.gz AIIJQVDLZGVUOR-UHFFFAOYSA-N 1 2 367.457 2.159 50 0 FEAALO O=C(c1ccc(-n2ccnc2)cc1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000077300091 542363255 /nfs/dbraw/zinc/36/32/55/542363255.db2.gz FBTBQLAABZKLIQ-LJQANCHMSA-N 1 2 354.454 2.199 50 0 FEAALO COc1cc(F)ccc1S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019733234 220291622 /nfs/dbraw/zinc/29/16/22/220291622.db2.gz DISPKCBFGPCRGF-UHFFFAOYSA-N 1 2 364.442 2.341 50 0 FEAALO O=C(Nc1ccc(Cl)cc1)O[C@@H]1CS(=O)(=O)C[C@H]1[NH+]1CCCC1 ZINC000019848699 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O=C(Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1)c1cccs1 ZINC000021874050 220368754 /nfs/dbraw/zinc/36/87/54/220368754.db2.gz MUDCSCWSZVQURV-UHFFFAOYSA-N 1 2 359.451 2.062 50 0 FEAALO CC(C)(CNC(=O)NCCCn1ccc2ccccc21)[NH+]1CCOCC1 ZINC000054040217 221049694 /nfs/dbraw/zinc/04/96/94/221049694.db2.gz DBTYFLZXPRGBFJ-UHFFFAOYSA-N 1 2 358.486 2.441 50 0 FEAALO CCCc1[nH+]c2ccccc2n1[C@@H](C)C(=O)NCCOc1nonc1C ZINC000055060546 221057514 /nfs/dbraw/zinc/05/75/14/221057514.db2.gz NEPQFQWVXNVHMI-ZDUSSCGKSA-N 1 2 357.414 2.436 50 0 FEAALO CCOC(=O)N1CC[NH+]([C@H]2CCCN(C(=O)c3ccsc3)C2)CC1 ZINC000055052786 221057568 /nfs/dbraw/zinc/05/75/68/221057568.db2.gz CULAGTKVARYRHR-HNNXBMFYSA-N 1 2 351.472 2.127 50 0 FEAALO COC(=O)[C@H]1Cc2[nH]c[nH+]c2CN1Cc1ccc(Sc2ncccn2)o1 ZINC000055413440 221069622 /nfs/dbraw/zinc/06/96/22/221069622.db2.gz IZXRTXMJXNJSAF-CQSZACIVSA-N 1 2 371.422 2.044 50 0 FEAALO COC(=O)[C@H]1Cc2[nH+]c[nH]c2CN1Cc1ccc(Sc2ncccn2)o1 ZINC000055413440 221069624 /nfs/dbraw/zinc/06/96/24/221069624.db2.gz 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373.420 2.472 50 0 FEAALO O[C@H]1CCC[N@H+](Cc2nc(-c3ccncc3)nn2Cc2ccc(F)cc2)C1 ZINC000096152982 222054863 /nfs/dbraw/zinc/05/48/63/222054863.db2.gz KYJVCUNXHLJHIG-SFHVURJKSA-N 1 2 367.428 2.484 50 0 FEAALO O[C@H]1CCC[N@@H+](Cc2nc(-c3ccncc3)nn2Cc2ccc(F)cc2)C1 ZINC000096152982 222054868 /nfs/dbraw/zinc/05/48/68/222054868.db2.gz KYJVCUNXHLJHIG-SFHVURJKSA-N 1 2 367.428 2.484 50 0 FEAALO CCCN(Cc1[nH+]ccn1C)C(=O)CCn1c(CO)nc2ccccc21 ZINC000096152907 222055256 /nfs/dbraw/zinc/05/52/56/222055256.db2.gz LQTRMFWMXSANPC-UHFFFAOYSA-N 1 2 355.442 2.091 50 0 FEAALO O=C(/C=C\c1ccco1)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000096801713 222130691 /nfs/dbraw/zinc/13/06/91/222130691.db2.gz AMFNJNWCPTXNPX-XQRVVYSFSA-N 1 2 354.406 2.408 50 0 FEAALO O=C(c1ccccc1-c1[nH]cc[nH+]1)N1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000097819722 222216691 /nfs/dbraw/zinc/21/66/91/222216691.db2.gz NLUIOAWFRSUYIT-GOSISDBHSA-N 1 2 360.417 2.260 50 0 FEAALO CN1CC[NH+]([C@@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000020441752 263380408 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ZINC000012387823 219988914 /nfs/dbraw/zinc/98/89/14/219988914.db2.gz GTZLIBZTOYCGKC-HXUWFJFHSA-N 1 2 353.466 2.374 50 0 FEAALO O=C(C1CC1)N1CCCCC[C@@H]1C1CC[NH+](Cc2nnnn2C2CC2)CC1 ZINC000071890535 541775147 /nfs/dbraw/zinc/77/51/47/541775147.db2.gz ZRHXBNCBSBDQLW-GOSISDBHSA-N 1 2 372.517 2.401 50 0 FEAALO O=C(Cc1c[nH+]c2ccccn12)N1CCC2(CC1)c1ccccc1C[C@@H]2O ZINC000072148151 541789211 /nfs/dbraw/zinc/78/92/11/541789211.db2.gz HVBDVQSIUKEKFJ-IBGZPJMESA-N 1 2 361.445 2.354 50 0 FEAALO CCCN(CC1CC1)C(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C)cc1 ZINC000072156903 541791746 /nfs/dbraw/zinc/79/17/46/541791746.db2.gz QAFKSLHOALFARK-LJQANCHMSA-N 1 2 357.498 2.334 50 0 FEAALO CCCN(CC1CC1)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C)cc1 ZINC000072156903 541791748 /nfs/dbraw/zinc/79/17/48/541791748.db2.gz QAFKSLHOALFARK-LJQANCHMSA-N 1 2 357.498 2.334 50 0 FEAALO C[N@H+](CC(=O)N1CCC[C@]2(C1)c1ccccc1NC2=O)Cc1cccnc1 ZINC000072162943 541792382 /nfs/dbraw/zinc/79/23/82/541792382.db2.gz AOCOYILVEFXWAS-NRFANRHFSA-N 1 2 364.449 2.026 50 0 FEAALO C[N@@H+](CC(=O)N1CCC[C@]2(C1)c1ccccc1NC2=O)Cc1cccnc1 ZINC000072162943 541792386 /nfs/dbraw/zinc/79/23/86/541792386.db2.gz AOCOYILVEFXWAS-NRFANRHFSA-N 1 2 364.449 2.026 50 0 FEAALO c1coc(CN2Cc3nnc(C4CCOCC4)n3[C@@H](Cc3c[nH]c[nH+]3)C2)c1 ZINC000072433135 541813646 /nfs/dbraw/zinc/81/36/46/541813646.db2.gz YYBLIGMIHQTUEJ-INIZCTEOSA-N 1 2 368.441 2.288 50 0 FEAALO c1coc(CN2Cc3nnc(C4CCOCC4)n3[C@@H](Cc3c[nH+]c[nH]3)C2)c1 ZINC000072433135 541813648 /nfs/dbraw/zinc/81/36/48/541813648.db2.gz YYBLIGMIHQTUEJ-INIZCTEOSA-N 1 2 368.441 2.288 50 0 FEAALO Cc1cccc(C(=O)N2CCC[C@H](c3nnc(C[NH+]4CCCC4)n3C)C2)n1 ZINC000072447994 541815538 /nfs/dbraw/zinc/81/55/38/541815538.db2.gz CNHOETIAGXHENH-INIZCTEOSA-N 1 2 368.485 2.134 50 0 FEAALO Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCCN(C(=O)c2ccc(O)cc2)C1 ZINC000072447460 541816181 /nfs/dbraw/zinc/81/61/81/541816181.db2.gz LBOZLNXXWSCMKW-MRXNPFEDSA-N 1 2 369.469 2.136 50 0 FEAALO Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000072480579 541821526 /nfs/dbraw/zinc/82/15/26/541821526.db2.gz VKUMDRUIERMHEK-QGZVFWFLSA-N 1 2 368.485 2.216 50 0 FEAALO CCOc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)N2CCC(C)CC2)cc1 ZINC000012711725 220019060 /nfs/dbraw/zinc/01/90/60/220019060.db2.gz HKDXNDRIAZFBKZ-LJQANCHMSA-N 1 2 373.497 2.034 50 0 FEAALO CCOc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)N2CCC(C)CC2)cc1 ZINC000012711725 220019062 /nfs/dbraw/zinc/01/90/62/220019062.db2.gz HKDXNDRIAZFBKZ-LJQANCHMSA-N 1 2 373.497 2.034 50 0 FEAALO CC[N@H+](CC(=O)NCc1ccc(C)cc1)CC(=O)NCc1ccc(F)cc1 ZINC000012763374 220025827 /nfs/dbraw/zinc/02/58/27/220025827.db2.gz NUGCMLSEEWEZEC-UHFFFAOYSA-N 1 2 371.456 2.389 50 0 FEAALO CC[N@@H+](CC(=O)NCc1ccc(C)cc1)CC(=O)NCc1ccc(F)cc1 ZINC000012763374 220025829 /nfs/dbraw/zinc/02/58/29/220025829.db2.gz NUGCMLSEEWEZEC-UHFFFAOYSA-N 1 2 371.456 2.389 50 0 FEAALO CC(C)C[C@H](CNS(=O)(=O)c1cccc(Cl)c1)[NH+]1CCOCC1 ZINC000012860959 220037444 /nfs/dbraw/zinc/03/74/44/220037444.db2.gz CPHMSTKELRDMDF-OAHLLOKOSA-N 1 2 360.907 2.365 50 0 FEAALO CC(=O)Nc1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000012989516 220049672 /nfs/dbraw/zinc/04/96/72/220049672.db2.gz HXKMZRDIPWHYOC-UHFFFAOYSA-N 1 2 367.449 2.407 50 0 FEAALO O=C(Nc1ccc2c(c1)OCCO2)N1CC[NH+](Cc2ccccn2)CC1 ZINC000013325037 220063366 /nfs/dbraw/zinc/06/33/66/220063366.db2.gz FAADHLIQOMFZPE-UHFFFAOYSA-N 1 2 354.410 2.203 50 0 FEAALO O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](CCc2ccccn2)CC1 ZINC000016518301 220186941 /nfs/dbraw/zinc/18/69/41/220186941.db2.gz RLNUADLYWDCHCC-UHFFFAOYSA-N 1 2 365.886 2.284 50 0 FEAALO CC(C)(C)OC(=O)N1CC[NH+](CCNC(=O)OCc2ccccc2)CC1 ZINC000016697255 220190915 /nfs/dbraw/zinc/19/09/15/220190915.db2.gz TVSZRCUJIBAGJV-UHFFFAOYSA-N 1 2 363.458 2.466 50 0 FEAALO Cc1ccc(-n2ncc3c2ncnc3NCC[NH+]2CCOCC2)cc1C ZINC000017120404 220207828 /nfs/dbraw/zinc/20/78/28/220207828.db2.gz CIWPWQUSMXWNRI-UHFFFAOYSA-N 1 2 352.442 2.176 50 0 FEAALO O=C(NCCOC1CCCCCC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000074316624 542068619 /nfs/dbraw/zinc/06/86/19/542068619.db2.gz ZBUOUUMQTHLXCA-QGZVFWFLSA-N 1 2 353.507 2.232 50 0 FEAALO CCn1c2cccc(F)c2nc1C[N@H+](CCC(F)(F)F)C[C@H](O)CO ZINC000075109335 542153575 /nfs/dbraw/zinc/15/35/75/542153575.db2.gz VBZASGIBSAPYRM-NSHDSACASA-N 1 2 363.355 2.303 50 0 FEAALO CCn1c2cccc(F)c2nc1C[N@@H+](CCC(F)(F)F)C[C@H](O)CO ZINC000075109335 542153579 /nfs/dbraw/zinc/15/35/79/542153579.db2.gz VBZASGIBSAPYRM-NSHDSACASA-N 1 2 363.355 2.303 50 0 FEAALO Cn1cc[nH+]c1CC[C@H]1CCCCN1S(=O)(=O)N1CCCCCC1 ZINC000077318885 542366691 /nfs/dbraw/zinc/36/66/91/542366691.db2.gz ROSXIDVBQMTNAC-MRXNPFEDSA-N 1 2 354.520 2.328 50 0 FEAALO Cc1nc(C)c(C(=O)N2CCC(c3nnc(C[NH+]4CCCC4)n3C)CC2)o1 ZINC000077425305 542380984 /nfs/dbraw/zinc/38/09/84/542380984.db2.gz NSYUQWLQLQBAKL-UHFFFAOYSA-N 1 2 372.473 2.036 50 0 FEAALO O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000077438606 542381545 /nfs/dbraw/zinc/38/15/45/542381545.db2.gz UZVIXNNJFCUCSC-UHFFFAOYSA-N 1 2 362.437 2.215 50 0 FEAALO O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000077438606 542381546 /nfs/dbraw/zinc/38/15/46/542381546.db2.gz UZVIXNNJFCUCSC-UHFFFAOYSA-N 1 2 362.437 2.215 50 0 FEAALO COc1cccc(CN2CC3(CC2=O)CC[NH+](Cc2ncc[nH]2)CC3)c1 ZINC000077471643 542385839 /nfs/dbraw/zinc/38/58/39/542385839.db2.gz DNSLGZVKRHEXOT-UHFFFAOYSA-N 1 2 354.454 2.433 50 0 FEAALO CCOc1ccc(C[NH+]2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1 ZINC000022787122 220398949 /nfs/dbraw/zinc/39/89/49/220398949.db2.gz SKZBCQJBXHLKMS-UHFFFAOYSA-N 1 2 358.442 2.138 50 0 FEAALO COc1cc2nc(C[N@H+](C)[C@H]3CCOC3)nc(N3CCCC3)c2cc1OC ZINC000299755970 533176380 /nfs/dbraw/zinc/17/63/80/533176380.db2.gz AXXVFTZQBQTGJW-AWEZNQCLSA-N 1 2 372.469 2.468 50 0 FEAALO COc1cc2nc(C[N@@H+](C)[C@H]3CCOC3)nc(N3CCCC3)c2cc1OC ZINC000299755970 533176384 /nfs/dbraw/zinc/17/63/84/533176384.db2.gz AXXVFTZQBQTGJW-AWEZNQCLSA-N 1 2 372.469 2.468 50 0 FEAALO CCCN(Cc1[nH+]ccn1C)C(=O)CCCn1cnc2ccccc2c1=O ZINC000055227466 221062537 /nfs/dbraw/zinc/06/25/37/221062537.db2.gz LJXVEBHODKQQRM-UHFFFAOYSA-N 1 2 367.453 2.349 50 0 FEAALO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1COc2ccccc2O1 ZINC000058180062 221103540 /nfs/dbraw/zinc/10/35/40/221103540.db2.gz XLMFCWZULBFKRR-IBGZPJMESA-N 1 2 354.406 2.297 50 0 FEAALO Cc1oc2nc[nH]c(=O)c2c1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000058209660 221107444 /nfs/dbraw/zinc/10/74/44/221107444.db2.gz NJQNNDAAOKQNHJ-UHFFFAOYSA-N 1 2 367.340 2.079 50 0 FEAALO COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1CCc2sccc2C1 ZINC000057442510 221088828 /nfs/dbraw/zinc/08/88/28/221088828.db2.gz PLJGAZWLHJQATR-UHFFFAOYSA-N 1 2 373.478 2.023 50 0 FEAALO COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CCc2sccc2C1 ZINC000057442510 221088831 /nfs/dbraw/zinc/08/88/31/221088831.db2.gz PLJGAZWLHJQATR-UHFFFAOYSA-N 1 2 373.478 2.023 50 0 FEAALO O=C(Cc1ccc(-n2cccn2)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000057997382 221096916 /nfs/dbraw/zinc/09/69/16/221096916.db2.gz ZTQXJGKJTIGGQB-UHFFFAOYSA-N 1 2 361.449 2.154 50 0 FEAALO O=C(CCn1cc[nH+]c1)NC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000058306179 221113970 /nfs/dbraw/zinc/11/39/70/221113970.db2.gz UZGZIKUNYGGHJU-QGZVFWFLSA-N 1 2 362.861 2.116 50 0 FEAALO CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 ZINC000058344021 221114462 /nfs/dbraw/zinc/11/44/62/221114462.db2.gz BKQPADDKPCIRQS-UHFFFAOYSA-N 1 2 363.889 2.042 50 0 FEAALO CCNC(=O)C[N@H+]1CCCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 ZINC000058344021 221114464 /nfs/dbraw/zinc/11/44/64/221114464.db2.gz BKQPADDKPCIRQS-UHFFFAOYSA-N 1 2 363.889 2.042 50 0 FEAALO CCCCNC(=O)C1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000065237162 221184173 /nfs/dbraw/zinc/18/41/73/221184173.db2.gz HWZQYBLQXRASGP-UHFFFAOYSA-N 1 2 363.531 2.163 50 0 FEAALO CCCCNC(=O)C1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000065237162 221184176 /nfs/dbraw/zinc/18/41/76/221184176.db2.gz HWZQYBLQXRASGP-UHFFFAOYSA-N 1 2 363.531 2.163 50 0 FEAALO CC[NH+]1CCC([NH+]2CCN(c3ccc(Cl)c(C(=O)[O-])n3)CC2)CC1 ZINC000065387520 221208252 /nfs/dbraw/zinc/20/82/52/221208252.db2.gz PPOBDYZXVMORCK-UHFFFAOYSA-N 1 2 352.866 2.040 50 0 FEAALO O=C(NC[C@@H]1CCCO1)c1cc2n(n1)CCC[N@H+](Cc1ccccc1)C2 ZINC000065393451 221209714 /nfs/dbraw/zinc/20/97/14/221209714.db2.gz LQWBFSDSLMQFLW-SFHVURJKSA-N 1 2 354.454 2.198 50 0 FEAALO O=C(NC[C@@H]1CCCO1)c1cc2n(n1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000065393451 221209717 /nfs/dbraw/zinc/20/97/17/221209717.db2.gz LQWBFSDSLMQFLW-SFHVURJKSA-N 1 2 354.454 2.198 50 0 FEAALO COC(=O)c1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2c2cccnc2)o1 ZINC000065467323 221223538 /nfs/dbraw/zinc/22/35/38/221223538.db2.gz RFBVQDDRDVSBJA-MRXNPFEDSA-N 1 2 357.410 2.305 50 0 FEAALO COC(=O)c1ccc(CNC(=O)C[N@H+]2CCCC[C@@H]2c2cccnc2)o1 ZINC000065467323 221223542 /nfs/dbraw/zinc/22/35/42/221223542.db2.gz RFBVQDDRDVSBJA-MRXNPFEDSA-N 1 2 357.410 2.305 50 0 FEAALO COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(Oc3ccccc3)cc2)C[N@@H+]1C ZINC000065526259 221229854 /nfs/dbraw/zinc/22/98/54/221229854.db2.gz HDNZZRKQNNGRAC-YJBOKZPZSA-N 1 2 354.406 2.454 50 0 FEAALO COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(Oc3ccccc3)cc2)C[N@H+]1C ZINC000065526259 221229857 /nfs/dbraw/zinc/22/98/57/221229857.db2.gz HDNZZRKQNNGRAC-YJBOKZPZSA-N 1 2 354.406 2.454 50 0 FEAALO C[C@H](NC(=O)C[N@@H+]1CCOc2ccccc2C1)c1cn2ccsc2n1 ZINC000065525966 221230069 /nfs/dbraw/zinc/23/00/69/221230069.db2.gz MLSGNHBHYGOSPO-ZDUSSCGKSA-N 1 2 356.451 2.468 50 0 FEAALO C[C@H](NC(=O)C[N@H+]1CCOc2ccccc2C1)c1cn2ccsc2n1 ZINC000065525966 221230072 /nfs/dbraw/zinc/23/00/72/221230072.db2.gz MLSGNHBHYGOSPO-ZDUSSCGKSA-N 1 2 356.451 2.468 50 0 FEAALO COc1cc2c(cc1C[NH+]1CCN(c3ncc(Cl)cn3)CC1)OCO2 ZINC000065527078 221231603 /nfs/dbraw/zinc/23/16/03/221231603.db2.gz ADDYCJNCGOODLL-UHFFFAOYSA-N 1 2 362.817 2.190 50 0 FEAALO CCn1c(=O)[nH]nc1[C@@H]1CCC[N@H+](Cc2cnccc2C(F)(F)F)C1 ZINC000067641305 221264115 /nfs/dbraw/zinc/26/41/15/221264115.db2.gz CXRJSVMEXVRDII-LLVKDONJSA-N 1 2 355.364 2.385 50 0 FEAALO CCn1c(=O)[nH]nc1[C@@H]1CCC[N@@H+](Cc2cnccc2C(F)(F)F)C1 ZINC000067641305 221264118 /nfs/dbraw/zinc/26/41/18/221264118.db2.gz CXRJSVMEXVRDII-LLVKDONJSA-N 1 2 355.364 2.385 50 0 FEAALO CC(C)(C)c1cc(C[NH+]2CCN(c3nnnn3-c3ccccc3)CC2)[nH]n1 ZINC000067885625 221300908 /nfs/dbraw/zinc/30/09/08/221300908.db2.gz CWJSJXKTWHSUSG-UHFFFAOYSA-N 1 2 366.473 2.005 50 0 FEAALO Cc1cc2[nH+]cn(Cc3cc(C(=O)NC[C@@H]4CCCO4)[nH]n3)c2cc1C ZINC000067946561 221306384 /nfs/dbraw/zinc/30/63/84/221306384.db2.gz CAFXFOMOLAGBHZ-HNNXBMFYSA-N 1 2 353.426 2.333 50 0 FEAALO CC[NH+](CC)Cc1nnc2sc(Cc3ccc4c(c3)OCCO4)nn12 ZINC000071260572 221337398 /nfs/dbraw/zinc/33/73/98/221337398.db2.gz BOAJCQGGBBHMJQ-UHFFFAOYSA-N 1 2 359.455 2.390 50 0 FEAALO CC(=O)N1CCc2c([nH+]c(N(C)C)nc2NCCCc2ccccc2)C1 ZINC000071419051 221348212 /nfs/dbraw/zinc/34/82/12/221348212.db2.gz QSQQUMFBZJINOX-UHFFFAOYSA-N 1 2 353.470 2.492 50 0 FEAALO NS(=O)(=O)c1ccc(Cn2cc[nH+]c2-c2ccc3c(c2)OCCO3)cc1 ZINC000071439423 221348732 /nfs/dbraw/zinc/34/87/32/221348732.db2.gz CVZHPWALVRYQLJ-UHFFFAOYSA-N 1 2 371.418 2.017 50 0 FEAALO CC(=O)N1CCc2c([nH+]c(N(C)C)nc2NCc2cc(CC(C)C)on2)C1 ZINC000071748297 221359064 /nfs/dbraw/zinc/35/90/64/221359064.db2.gz FATVDFAJDNKQGK-UHFFFAOYSA-N 1 2 372.473 2.246 50 0 FEAALO Cn1cc(CN2CCc3[nH+]c[nH]c3[C@@H]2c2cnc(-c3ccco3)nc2)cn1 ZINC000071776390 221375276 /nfs/dbraw/zinc/37/52/76/221375276.db2.gz TUSDQCFOKFECFF-SFHVURJKSA-N 1 2 361.409 2.341 50 0 FEAALO COc1ccc2c(c1)[C@H](NC(=O)c1[nH]nc3c1C[N@H+](C)CC3)CC(C)(C)O2 ZINC000299795404 533297538 /nfs/dbraw/zinc/29/75/38/533297538.db2.gz MAVHGTWERUNLMT-MRXNPFEDSA-N 1 2 370.453 2.438 50 0 FEAALO COc1ccc2c(c1)[C@H](NC(=O)c1[nH]nc3c1C[N@@H+](C)CC3)CC(C)(C)O2 ZINC000299795404 533297543 /nfs/dbraw/zinc/29/75/43/533297543.db2.gz MAVHGTWERUNLMT-MRXNPFEDSA-N 1 2 370.453 2.438 50 0 FEAALO CSc1ccccc1C[N@@H+]1CCn2nc(CNC(=O)N(C)C)cc2C1 ZINC000082086714 542683483 /nfs/dbraw/zinc/68/34/83/542683483.db2.gz SLVLTWRRAGSLRP-UHFFFAOYSA-N 1 2 359.499 2.392 50 0 FEAALO CSc1ccccc1C[N@H+]1CCn2nc(CNC(=O)N(C)C)cc2C1 ZINC000082086714 542683487 /nfs/dbraw/zinc/68/34/87/542683487.db2.gz SLVLTWRRAGSLRP-UHFFFAOYSA-N 1 2 359.499 2.392 50 0 FEAALO CC(C)Oc1cc(N2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)nc(N)[nH+]1 ZINC000082092890 132194346 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C[C@H](C(=O)N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000013039008 132866172 /nfs/dbraw/zinc/86/61/72/132866172.db2.gz SBBJIOXCFKOSDL-OWCLPIDISA-N 1 2 365.905 2.486 50 0 FEAALO Cc1nc2ccccc2nc1N1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000030003832 132921191 /nfs/dbraw/zinc/92/11/91/132921191.db2.gz WFPOYVNHYWTUAE-LJQANCHMSA-N 1 2 361.449 2.287 50 0 FEAALO COC(=O)C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000091461872 542809028 /nfs/dbraw/zinc/80/90/28/542809028.db2.gz FHGFOFLSGKGFKQ-GOSISDBHSA-N 1 2 356.466 2.420 50 0 FEAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(-c3nnn(C)n3)cc2)C1 ZINC000091289202 542803915 /nfs/dbraw/zinc/80/39/15/542803915.db2.gz JRVJKZVSGHQOEI-MRXNPFEDSA-N 1 2 365.441 2.113 50 0 FEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1cccc(F)c1)CC2 ZINC000091534977 542811349 /nfs/dbraw/zinc/81/13/49/542811349.db2.gz YISUFZCJRGLZPA-UHFFFAOYSA-N 1 2 370.428 2.475 50 0 FEAALO C[C@@H](NC(=O)c1cnc(COc2ccc(F)cc2)[nH]c1=O)c1[nH]cc[nH+]1 ZINC000091694759 542820796 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FEAALO COc1cccc(NC(=O)C[NH+]2CCN(c3ccccc3OC)CC2)c1 ZINC000055060285 136125727 /nfs/dbraw/zinc/12/57/27/136125727.db2.gz PKGPMUZFABRXFQ-UHFFFAOYSA-N 1 2 355.438 2.465 50 0 FEAALO COc1ccc(CCNC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000057363992 136128895 /nfs/dbraw/zinc/12/88/95/136128895.db2.gz CEUKKILFGDAROB-UHFFFAOYSA-N 1 2 371.456 2.315 50 0 FEAALO Cc1cccc(CC(=O)N[C@@H]2CCCN(c3cc(N(C)C)[nH+]cn3)C2)c1 ZINC000065269180 136135769 /nfs/dbraw/zinc/13/57/69/136135769.db2.gz HOCHTXOQIPZAOP-QGZVFWFLSA-N 1 2 353.470 2.179 50 0 FEAALO Cc1cccc(CC(=O)N[C@@H]2CCCN(c3cc(N(C)C)nc[nH+]3)C2)c1 ZINC000065269180 136135770 /nfs/dbraw/zinc/13/57/70/136135770.db2.gz HOCHTXOQIPZAOP-QGZVFWFLSA-N 1 2 353.470 2.179 50 0 FEAALO CCc1nc(N2CCC[C@H](c3nnc(C[NH+]4CCCC4)n3C)C2)ncc1C ZINC000072477259 136149406 /nfs/dbraw/zinc/14/94/06/136149406.db2.gz GCPWJDMQVHAUGJ-INIZCTEOSA-N 1 2 369.517 2.456 50 0 FEAALO COCc1noc(C[NH+]2CCC3(C[C@H](c4ccccc4)C(=O)N3C)CC2)n1 ZINC000095384757 542966116 /nfs/dbraw/zinc/96/61/16/542966116.db2.gz LSNCSSRJKQWMND-MRXNPFEDSA-N 1 2 370.453 2.197 50 0 FEAALO Cn1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)n1 ZINC000095390892 542968473 /nfs/dbraw/zinc/96/84/73/542968473.db2.gz SPQJHBABNJFMAH-CYBMUJFWSA-N 1 2 356.455 2.141 50 0 FEAALO COC(=O)C[N@H+](C)CCNC(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC000095448219 542969819 /nfs/dbraw/zinc/96/98/19/542969819.db2.gz PIUHTZWLQHNQRF-UHFFFAOYSA-N 1 2 364.486 2.364 50 0 FEAALO COC(=O)C[N@@H+](C)CCNC(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC000095448219 542969822 /nfs/dbraw/zinc/96/98/22/542969822.db2.gz PIUHTZWLQHNQRF-UHFFFAOYSA-N 1 2 364.486 2.364 50 0 FEAALO O=C(c1cnccn1)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095507708 542976423 /nfs/dbraw/zinc/97/64/23/542976423.db2.gz OTPYZABMXPLWDE-CYBMUJFWSA-N 1 2 354.439 2.198 50 0 FEAALO Cc1cc(Cl)ccc1C(=O)N1CCC[C@H](c2[nH+]ccn2CC(N)=O)C1 ZINC000095509738 542976827 /nfs/dbraw/zinc/97/68/27/542976827.db2.gz QFOQRUOJNBKAJM-ZDUSSCGKSA-N 1 2 360.845 2.350 50 0 FEAALO NC(=O)Cn1cc[nH+]c1C1CCN(C(=O)CCCCc2ccccc2)CC1 ZINC000095509964 542976889 /nfs/dbraw/zinc/97/68/89/542976889.db2.gz WXAHQFFBLRTRCS-UHFFFAOYSA-N 1 2 368.481 2.487 50 0 FEAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)Cn2nc(C)c(C(C)=O)c2C)C1 ZINC000095510490 542976936 /nfs/dbraw/zinc/97/69/36/542976936.db2.gz JRQLVDZGOOEBKB-INIZCTEOSA-N 1 2 357.458 2.325 50 0 FEAALO O=C(CN1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1)N1CCCCC1 ZINC000095946901 542984116 /nfs/dbraw/zinc/98/41/16/542984116.db2.gz PHJSRAHXHKKGLL-UHFFFAOYSA-N 1 2 368.481 2.472 50 0 FEAALO COc1ccc(-c2nn3c(nc(C[N@@H+]4CCCC[C@@H]4C)cc3=O)[nH]2)cc1 ZINC000101747577 543043330 /nfs/dbraw/zinc/04/33/30/543043330.db2.gz VTDBBYDXVROVIM-ZDUSSCGKSA-N 1 2 353.426 2.468 50 0 FEAALO COc1ccc(-c2nn3c(nc(C[N@H+]4CCCC[C@@H]4C)cc3=O)[nH]2)cc1 ZINC000101747577 543043333 /nfs/dbraw/zinc/04/33/33/543043333.db2.gz VTDBBYDXVROVIM-ZDUSSCGKSA-N 1 2 353.426 2.468 50 0 FEAALO O=C(c1cccnn1)N1CCC(c2[nH+]ccn2Cc2cscn2)CC1 ZINC000091656201 221779784 /nfs/dbraw/zinc/77/97/84/221779784.db2.gz GRAGSUMBEXOGPO-UHFFFAOYSA-N 1 2 354.439 2.198 50 0 FEAALO CCn1nc(C2CCCC2)nc1C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000096131340 222036583 /nfs/dbraw/zinc/03/65/83/222036583.db2.gz RFHFWYDNTQYFKU-MRXNPFEDSA-N 1 2 366.531 2.322 50 0 FEAALO CCn1c(C[NH+](C)C)nnc1C1CCN(C(=O)CCc2ccncc2)CC1 ZINC000096132710 222038460 /nfs/dbraw/zinc/03/84/60/222038460.db2.gz MLFZLOOKKTUIGW-UHFFFAOYSA-N 1 2 370.501 2.093 50 0 FEAALO CC1(C)c2cc(Cl)ccc2N(CC(=O)NCCCn2cc[nH+]c2)C1=O ZINC000096181615 222068851 /nfs/dbraw/zinc/06/88/51/222068851.db2.gz DZRUBGVTCBDEKM-UHFFFAOYSA-N 1 2 360.845 2.367 50 0 FEAALO O=C(NCCCn1nnc2ccccc21)c1cnc(C[NH+]2CCCC2)s1 ZINC000097570989 222192407 /nfs/dbraw/zinc/19/24/07/222192407.db2.gz BQIDYNBKYSUOBJ-UHFFFAOYSA-N 1 2 370.482 2.304 50 0 FEAALO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc2c(c1)ncn2CCO ZINC000097575016 222194043 /nfs/dbraw/zinc/19/40/43/222194043.db2.gz AVERNXNZSSKCSP-KRWDZBQOSA-N 1 2 355.442 2.070 50 0 FEAALO O=C(CCc1cn2ccccc2[nH+]1)N1CCNC(=O)[C@@H]1c1cccc(F)c1 ZINC000097635165 222201584 /nfs/dbraw/zinc/20/15/84/222201584.db2.gz DHIVHWWQPVFTNI-IBGZPJMESA-N 1 2 366.396 2.106 50 0 FEAALO Cc1nn(-c2ccccc2)c2sc(C(=O)N3CC[NH+](CCO)CC3)cc12 ZINC000098072688 222224667 /nfs/dbraw/zinc/22/46/67/222224667.db2.gz PZUHSRULWUZFBN-UHFFFAOYSA-N 1 2 370.478 2.146 50 0 FEAALO Cc1cccc2[nH]c(CNC(=O)N3CC[NH+](Cc4cccnc4)CC3)nc21 ZINC000132228937 544223908 /nfs/dbraw/zinc/22/39/08/544223908.db2.gz TXUNTHQZEAGNHU-UHFFFAOYSA-N 1 2 364.453 2.294 50 0 FEAALO O=C(c1ccsc1)N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000264649274 329044408 /nfs/dbraw/zinc/04/44/08/329044408.db2.gz IDIAFEYNZQMJNZ-UHFFFAOYSA-N 1 2 357.483 2.491 50 0 FEAALO O=C(c1ccsc1)N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000264649274 329044409 /nfs/dbraw/zinc/04/44/09/329044409.db2.gz IDIAFEYNZQMJNZ-UHFFFAOYSA-N 1 2 357.483 2.491 50 0 FEAALO Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)c3cc4ccccc4[nH]3)[C@H](O)C2)cs1 ZINC000299799809 534363555 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FEAALO Cc1ccc(OCC(=O)N2CC[NH+](CCc3ccccn3)CC2)cc1C ZINC000020897271 525381348 /nfs/dbraw/zinc/38/13/48/525381348.db2.gz SLCHKAFGCQARQB-UHFFFAOYSA-N 1 2 353.466 2.464 50 0 FEAALO Cc1cc(C(=O)N2CCC(c3nnc(Cn4cc[nH+]c4)n3C)CC2)cs1 ZINC000091656661 526240778 /nfs/dbraw/zinc/24/07/78/526240778.db2.gz VOAVWIQUVNNSHJ-UHFFFAOYSA-N 1 2 370.482 2.450 50 0 FEAALO CC(=O)c1c(C)nn([C@@H](C)CC(=O)NCC2=CSC3=[NH+]CCN23)c1C ZINC000299771261 527171959 /nfs/dbraw/zinc/17/19/59/527171959.db2.gz VBMZMTQCRVTKDC-JTQLQIEISA-N 1 2 361.471 2.030 50 0 FEAALO CCc1ccccc1NC(=O)NCCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000072117777 535955441 /nfs/dbraw/zinc/95/54/41/535955441.db2.gz WKWPKXNFNULAOI-UHFFFAOYSA-N 1 2 370.457 2.109 50 0 FEAALO CCc1ccccc1NC(=O)NCCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000072117777 535955446 /nfs/dbraw/zinc/95/54/46/535955446.db2.gz WKWPKXNFNULAOI-UHFFFAOYSA-N 1 2 370.457 2.109 50 0 FEAALO O=S(=O)(NCC[N@@H+]1CCO[C@]2(CCc3ccccc32)C1)c1ccccc1 ZINC000159253503 545936603 /nfs/dbraw/zinc/93/66/03/545936603.db2.gz 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C[C@@H](NC(=O)c1cccc(-n2cnnn2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000005270035 539407307 /nfs/dbraw/zinc/40/73/07/539407307.db2.gz HYQPRSANJQNIJJ-CQSZACIVSA-N 1 2 359.393 2.339 50 0 FEAALO Cn1ncc2c1nc[nH+]c2SCC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000011685391 539533302 /nfs/dbraw/zinc/53/33/02/539533302.db2.gz UIVDZDVJVNOQRQ-UHFFFAOYSA-N 1 2 367.434 2.465 50 0 FEAALO O=C(Cn1nnnc1C[NH+]1CCCC1)N(Cc1ccccc1)CC1CCC1 ZINC000011815403 539534926 /nfs/dbraw/zinc/53/49/26/539534926.db2.gz UNWXJTHJVUVRGS-UHFFFAOYSA-N 1 2 368.485 2.098 50 0 FEAALO CC[NH+](CC)Cc1cnc(S(=O)(=O)C[C@H]2CCCO2)n1CC(C)C ZINC000012303243 539553236 /nfs/dbraw/zinc/55/32/36/539553236.db2.gz DOPILYABGRATPG-MRXNPFEDSA-N 1 2 357.520 2.334 50 0 FEAALO Cc1cc(C[N@@H+](C)C[C@@]2(O)CCCN(Cc3cccc(C)c3)C2=O)n[nH]1 ZINC000012307387 539554228 /nfs/dbraw/zinc/55/42/28/539554228.db2.gz FGGWMPOMNJETLZ-FQEVSTJZSA-N 1 2 356.470 2.012 50 0 FEAALO Cc1cc(C[N@H+](C)C[C@@]2(O)CCCN(Cc3cccc(C)c3)C2=O)n[nH]1 ZINC000012307387 539554231 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Cc1cccc(OC[C@H](O)C[N@H+](C)Cc2nc3ccccc3c(=O)[nH]2)c1 ZINC000023389388 539713195 /nfs/dbraw/zinc/71/31/95/539713195.db2.gz VBJZNZMLPUTWEM-OAHLLOKOSA-N 1 2 353.422 2.103 50 0 FEAALO S=c1scnn1CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000024465252 539732336 /nfs/dbraw/zinc/73/23/36/539732336.db2.gz UKBJNIKTKSSEFY-UHFFFAOYSA-N 1 2 364.496 2.221 50 0 FEAALO c1coc(-c2noc(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)n2)c1 ZINC000024834394 539742367 /nfs/dbraw/zinc/74/23/67/539742367.db2.gz IAESBDQOMFXBOJ-UHFFFAOYSA-N 1 2 368.393 2.376 50 0 FEAALO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3c(C)cccc3C)C2=O)CC1 ZINC000025287016 539753623 /nfs/dbraw/zinc/75/36/23/539753623.db2.gz LSQYUFNJYDGTHV-INIZCTEOSA-N 1 2 358.438 2.210 50 0 FEAALO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000029862767 539867134 /nfs/dbraw/zinc/86/71/34/539867134.db2.gz VLGURNCGXJWCSS-LLVKDONJSA-N 1 2 368.865 2.223 50 0 FEAALO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000029862767 539867136 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CCNC(=O)NC(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000037187824 539996296 /nfs/dbraw/zinc/99/62/96/539996296.db2.gz FLIVXUILOLGTSV-LJQANCHMSA-N 1 2 366.465 2.396 50 0 FEAALO CSc1ncccc1C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000040012057 540003953 /nfs/dbraw/zinc/00/39/53/540003953.db2.gz FTHYDHCWABJDQU-UHFFFAOYSA-N 1 2 367.478 2.409 50 0 FEAALO O=C(C1CC1)N1CCC(C(=O)N2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000040160110 540008486 /nfs/dbraw/zinc/00/84/86/540008486.db2.gz QXSZLEIJLFLPSG-UHFFFAOYSA-N 1 2 373.472 2.119 50 0 FEAALO CC1CCN(c2cc(-n3cnc(C(=O)N4CCSCC4)c3)nc[nH+]2)CC1 ZINC000049411195 540389654 /nfs/dbraw/zinc/38/96/54/540389654.db2.gz DURZIBREWRCDCV-UHFFFAOYSA-N 1 2 372.498 2.088 50 0 FEAALO COc1c(C)c[nH+]c(CNC(=O)CCS(=O)(=O)C2CCCC2)c1C ZINC000050448067 540406369 /nfs/dbraw/zinc/40/63/69/540406369.db2.gz BPCMFXZPQIZJLR-UHFFFAOYSA-N 1 2 354.472 2.071 50 0 FEAALO O=C(NCc1noc(-c2ccccc2)n1)C1([NH+]2CCOCC2)CCCCC1 ZINC000299775557 223090940 /nfs/dbraw/zinc/09/09/40/223090940.db2.gz 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220004948 /nfs/dbraw/zinc/00/49/48/220004948.db2.gz VAZUMOUWOAJOAU-UHFFFAOYSA-N 1 2 372.425 2.474 50 0 FEAALO Cc1noc(CN(C)Cc2cc3n(n2)CCC[N@H+](Cc2ccoc2)C3)n1 ZINC000072134687 541786047 /nfs/dbraw/zinc/78/60/47/541786047.db2.gz PIEHDZQVPVGACK-UHFFFAOYSA-N 1 2 356.430 2.205 50 0 FEAALO Cc1noc(CN(C)Cc2cc3n(n2)CCC[N@@H+](Cc2ccoc2)C3)n1 ZINC000072134687 541786052 /nfs/dbraw/zinc/78/60/52/541786052.db2.gz PIEHDZQVPVGACK-UHFFFAOYSA-N 1 2 356.430 2.205 50 0 FEAALO NC(=O)c1noc(C[N@@H+]2CCC[C@H](CCc3c(F)cccc3F)C2)n1 ZINC000072163925 541793225 /nfs/dbraw/zinc/79/32/25/541793225.db2.gz ZAGSWCJTJKQCBB-LLVKDONJSA-N 1 2 350.369 2.292 50 0 FEAALO NC(=O)c1noc(C[N@H+]2CCC[C@H](CCc3c(F)cccc3F)C2)n1 ZINC000072163925 541793228 /nfs/dbraw/zinc/79/32/28/541793228.db2.gz ZAGSWCJTJKQCBB-LLVKDONJSA-N 1 2 350.369 2.292 50 0 FEAALO CC(C)[C@H](NC(=O)c1cn(Cc2c(F)cccc2F)nn1)c1[nH+]ccn1C ZINC000072166022 541794087 /nfs/dbraw/zinc/79/40/87/541794087.db2.gz BYKQXNFMUDFRPT-INIZCTEOSA-N 1 2 374.395 2.465 50 0 FEAALO Cc1nsc(N2CC[NH+]([C@H](C(=O)N3CCCC3)c3ccccc3)CC2)n1 ZINC000072308862 541798382 /nfs/dbraw/zinc/79/83/82/541798382.db2.gz QIWCVWWVJJRXJO-KRWDZBQOSA-N 1 2 371.510 2.332 50 0 FEAALO CCCC[N@@H+]1CCN(Cc2cc(C)cc(C)c2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072410066 541806500 /nfs/dbraw/zinc/80/65/00/541806500.db2.gz HGUNEWOETMLVHJ-MOPGFXCFSA-N 1 2 350.528 2.387 50 0 FEAALO CCCC[N@H+]1CCN(Cc2cc(C)cc(C)c2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072410066 541806503 /nfs/dbraw/zinc/80/65/03/541806503.db2.gz HGUNEWOETMLVHJ-MOPGFXCFSA-N 1 2 350.528 2.387 50 0 FEAALO O=C(CCc1n[nH]c2c1CCCC2)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000072421852 541809110 /nfs/dbraw/zinc/80/91/10/541809110.db2.gz NCOSNZRXVFZOSA-UHFFFAOYSA-N 1 2 367.497 2.351 50 0 FEAALO O=C(CCc1n[nH]c2c1CCCC2)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000072421852 541809113 /nfs/dbraw/zinc/80/91/13/541809113.db2.gz NCOSNZRXVFZOSA-UHFFFAOYSA-N 1 2 367.497 2.351 50 0 FEAALO Cc1c[nH]c(C(=O)N2CCC[C@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)c1 ZINC000072421097 541809227 /nfs/dbraw/zinc/80/92/27/541809227.db2.gz MFXCJXNYKAJXOH-INIZCTEOSA-N 1 2 370.501 2.457 50 0 FEAALO CCOc1ccccc1CN1CC[N@H+](CC(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000072423812 541810224 /nfs/dbraw/zinc/81/02/24/541810224.db2.gz NSOLSBXRNFQPMS-MSOLQXFVSA-N 1 2 366.527 2.025 50 0 FEAALO CCOc1ccccc1CN1CC[N@@H+](CC(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000072423812 541810225 /nfs/dbraw/zinc/81/02/25/541810225.db2.gz NSOLSBXRNFQPMS-MSOLQXFVSA-N 1 2 366.527 2.025 50 0 FEAALO CN1C(=O)CC[C@@H]1Cn1ccnc1-c1cccc(C[NH+]2CCOCC2)c1 ZINC000072428842 541811805 /nfs/dbraw/zinc/81/18/05/541811805.db2.gz SQOHNNVFCMOPLP-GOSISDBHSA-N 1 2 354.454 2.003 50 0 FEAALO Cc1ccc(CN2CC[N@H+](CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1F ZINC000072431351 541812454 /nfs/dbraw/zinc/81/24/54/541812454.db2.gz REIGMMYNGVDUSD-MSOLQXFVSA-N 1 2 366.502 2.136 50 0 FEAALO Cc1ccc(CN2CC[N@@H+](CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1F ZINC000072431351 541812458 /nfs/dbraw/zinc/81/24/58/541812458.db2.gz REIGMMYNGVDUSD-MSOLQXFVSA-N 1 2 366.502 2.136 50 0 FEAALO COc1ccc(C(=O)N2CC[NH+](Cc3cnn(C)c3C3CC3)CC2)cc1 ZINC000072459191 541816648 /nfs/dbraw/zinc/81/66/48/541816648.db2.gz HLBYJSXCXIFETL-UHFFFAOYSA-N 1 2 354.454 2.264 50 0 FEAALO COc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)NC2CCCCC2)cc1C ZINC000012718303 220020644 /nfs/dbraw/zinc/02/06/44/220020644.db2.gz MTPXLVXEKRZAAH-GOSISDBHSA-N 1 2 373.497 2.143 50 0 FEAALO COc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)NC2CCCCC2)cc1C ZINC000012718303 220020648 /nfs/dbraw/zinc/02/06/48/220020648.db2.gz MTPXLVXEKRZAAH-GOSISDBHSA-N 1 2 373.497 2.143 50 0 FEAALO CCc1nnc(SCC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)[nH]1 ZINC000012777434 220028474 /nfs/dbraw/zinc/02/84/74/220028474.db2.gz JIWKJOIVJDOGNY-AWEZNQCLSA-N 1 2 359.499 2.365 50 0 FEAALO CCc1nc(SCC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)n[nH]1 ZINC000012777434 220028478 /nfs/dbraw/zinc/02/84/78/220028478.db2.gz JIWKJOIVJDOGNY-AWEZNQCLSA-N 1 2 359.499 2.365 50 0 FEAALO CCc1n[nH]c(SCC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)n1 ZINC000012777434 220028481 /nfs/dbraw/zinc/02/84/81/220028481.db2.gz JIWKJOIVJDOGNY-AWEZNQCLSA-N 1 2 359.499 2.365 50 0 FEAALO O=S(=O)(NCc1ccccc1C[NH+]1CCOCC1)c1cccc(F)c1 ZINC000012896798 220040386 /nfs/dbraw/zinc/04/03/86/220040386.db2.gz USOLVZDANHMVOX-UHFFFAOYSA-N 1 2 364.442 2.136 50 0 FEAALO CC[N@@H+]1CCc2c(sc3c2c(NCc2cccnc2)nc2nnnn23)C1 ZINC000013206987 220061621 /nfs/dbraw/zinc/06/16/21/220061621.db2.gz BVLVTRJZKCQWSV-UHFFFAOYSA-N 1 2 366.454 2.119 50 0 FEAALO CC[N@H+]1CCc2c(sc3c2c(NCc2cccnc2)nc2nnnn23)C1 ZINC000013206987 220061624 /nfs/dbraw/zinc/06/16/24/220061624.db2.gz BVLVTRJZKCQWSV-UHFFFAOYSA-N 1 2 366.454 2.119 50 0 FEAALO Cn1c(CCCNC(=O)[C@H]2COc3ccccc3O2)[nH+]c2cc(N)ccc21 ZINC000013734989 220090448 /nfs/dbraw/zinc/09/04/48/220090448.db2.gz IUPUYLQMBLHLCI-GOSISDBHSA-N 1 2 366.421 2.044 50 0 FEAALO O=C(Cc1cn2ccsc2n1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000014084213 220105344 /nfs/dbraw/zinc/10/53/44/220105344.db2.gz UGODVGGOCDJIRX-QGZVFWFLSA-N 1 2 370.478 2.128 50 0 FEAALO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)CC(=O)N1CCOCC1 ZINC000014183627 220113352 /nfs/dbraw/zinc/11/33/52/220113352.db2.gz MNVQJKZGHJRHKX-HZPDHXFCSA-N 1 2 361.486 2.318 50 0 FEAALO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N1CCOCC1 ZINC000014183627 220113354 /nfs/dbraw/zinc/11/33/54/220113354.db2.gz MNVQJKZGHJRHKX-HZPDHXFCSA-N 1 2 361.486 2.318 50 0 FEAALO CCOC(=O)c1nn(Cc2ccccc2)c2c1CN(Cc1[nH]cc[nH+]1)CC2 ZINC000014748354 220132283 /nfs/dbraw/zinc/13/22/83/220132283.db2.gz AAGPXUDDKSXQAJ-UHFFFAOYSA-N 1 2 365.437 2.390 50 0 FEAALO CCN1CC[NH+](C2(C(=O)NCCCOC(C)C)Cc3ccccc3C2)CC1 ZINC000019227315 220240831 /nfs/dbraw/zinc/24/08/31/220240831.db2.gz UAEUAQZVPWCRLJ-UHFFFAOYSA-N 1 2 373.541 2.093 50 0 FEAALO O=C(CCn1ccccc1=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000073790073 542000501 /nfs/dbraw/zinc/00/05/01/542000501.db2.gz IDLXXRVGFGUIOS-UHFFFAOYSA-N 1 2 359.857 2.236 50 0 FEAALO O=C(c1ccc2c(c1)OCCO2)C1CC[NH+](CN2C(=O)[C@@H]3CCC[C@H]32)CC1 ZINC000075148710 542155606 /nfs/dbraw/zinc/15/56/06/542155606.db2.gz GTIPSEZLQNBSLM-IAGOWNOFSA-N 1 2 370.449 2.321 50 0 FEAALO CCOC(=O)c1cnc2c(OC)cccc2c1NCC[NH+]1CCOCC1 ZINC000019530845 220269319 /nfs/dbraw/zinc/26/93/19/220269319.db2.gz AUXHIDJIZHHLDW-UHFFFAOYSA-N 1 2 359.426 2.164 50 0 FEAALO O=c1[nH]c(=O)n(-c2ccccc2F)c2c1C[N@@H+](CCc1ccccc1)CN2 ZINC000019939333 220306778 /nfs/dbraw/zinc/30/67/78/220306778.db2.gz XWMTYCOVYQPKBX-UHFFFAOYSA-N 1 2 366.396 2.093 50 0 FEAALO O=c1[nH]c(=O)n(-c2ccccc2F)c2c1C[N@H+](CCc1ccccc1)CN2 ZINC000019939333 220306781 /nfs/dbraw/zinc/30/67/81/220306781.db2.gz XWMTYCOVYQPKBX-UHFFFAOYSA-N 1 2 366.396 2.093 50 0 FEAALO CS(=O)(=O)NC1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000077486460 542388258 /nfs/dbraw/zinc/38/82/58/542388258.db2.gz LPAZYLDURNYGGK-UHFFFAOYSA-N 1 2 351.497 2.324 50 0 FEAALO C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000020680435 220338802 /nfs/dbraw/zinc/33/88/02/220338802.db2.gz HQJPAAJTTQBNHD-DOPWVJJUSA-N 1 2 363.502 2.279 50 0 FEAALO C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000020680435 220338805 /nfs/dbraw/zinc/33/88/05/220338805.db2.gz HQJPAAJTTQBNHD-DOPWVJJUSA-N 1 2 363.502 2.279 50 0 FEAALO C[C@@H](CCc1ccccc1)NC(=O)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000022011775 220374698 /nfs/dbraw/zinc/37/46/98/220374698.db2.gz HOUMAHQQHRFZPW-IBGZPJMESA-N 1 2 366.509 2.337 50 0 FEAALO Cc1ccccc1Nc1nc(NCC[NH+]2CCOCC2)nc2c1cnn2C ZINC000021873555 220369029 /nfs/dbraw/zinc/36/90/29/220369029.db2.gz KIAIGXXPMDYVCD-UHFFFAOYSA-N 1 2 367.457 2.159 50 0 FEAALO COc1ccc([C@H](C2Sc3nc(C)nn3C2=O)N2CC[NH+](C)CC2)cc1 ZINC000022458898 220386691 /nfs/dbraw/zinc/38/66/91/220386691.db2.gz GYCNRLLRNNBFEY-OAHLLOKOSA-N 1 2 373.482 2.150 50 0 FEAALO Cc1ccc(C[NH+]2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1 ZINC000022547059 220390101 /nfs/dbraw/zinc/39/01/01/220390101.db2.gz WYBXOTONWKDFCG-UHFFFAOYSA-N 1 2 351.516 2.233 50 0 FEAALO CCCCOc1ccc(C[NH+]2CCN(CC(=O)NC)CC2)cc1OCC ZINC000022793182 220398632 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O=C(C[N@@H+]1CCCN(c2nccs2)CC1)NC(=O)Nc1ccccc1 ZINC000058162699 221101002 /nfs/dbraw/zinc/10/10/02/221101002.db2.gz AJRKZNKANBTJRL-UHFFFAOYSA-N 1 2 359.455 2.004 50 0 FEAALO O=C(C[N@H+]1CCCN(c2nccs2)CC1)NC(=O)Nc1ccccc1 ZINC000058162699 221101004 /nfs/dbraw/zinc/10/10/04/221101004.db2.gz AJRKZNKANBTJRL-UHFFFAOYSA-N 1 2 359.455 2.004 50 0 FEAALO COC(=O)CC[N@@H+](Cc1ccccc1)CN1C(=O)NC2(CCCCC2)C1=O ZINC000058298111 221113136 /nfs/dbraw/zinc/11/31/36/221113136.db2.gz LKMYVSIKQCSIBY-UHFFFAOYSA-N 1 2 373.453 2.264 50 0 FEAALO COC(=O)CC[N@H+](Cc1ccccc1)CN1C(=O)NC2(CCCCC2)C1=O ZINC000058298111 221113139 /nfs/dbraw/zinc/11/31/39/221113139.db2.gz LKMYVSIKQCSIBY-UHFFFAOYSA-N 1 2 373.453 2.264 50 0 FEAALO CC(C)[C@@H](C(=O)Nc1cccc(Cn2cncn2)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000058363797 221115801 /nfs/dbraw/zinc/11/58/01/221115801.db2.gz UUHVFYIWNVANBO-MDZRGWNJSA-N 1 2 371.485 2.399 50 0 FEAALO CC(C)[C@@H](C(=O)Nc1cccc(Cn2cncn2)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058363793 221115947 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Cc1cccc(N2C[C@@H](C)N(C(=O)CC3=CSC4=[NH+]CCN34)CC2=O)c1 ZINC000102329709 132234810 /nfs/dbraw/zinc/23/48/10/132234810.db2.gz TYIUSESDTWBFCC-CQSZACIVSA-N 1 2 370.478 2.209 50 0 FEAALO Cc1cc(C[NH+]2CCN(c3cc(C)nc(-c4cccnc4)n3)CC2)on1 ZINC000040154933 132301126 /nfs/dbraw/zinc/30/11/26/132301126.db2.gz KYPDSUSIYPOXLA-UHFFFAOYSA-N 1 2 350.426 2.466 50 0 FEAALO Cc1cc(N2CC[C@]3(C2)CCCN(CCO)C3=O)nc(-c2ccccc2)[nH+]1 ZINC000091269675 542802995 /nfs/dbraw/zinc/80/29/95/542802995.db2.gz GIWAOIGIVGQOEN-NRFANRHFSA-N 1 2 366.465 2.263 50 0 FEAALO Cc1[nH]c2ccc(CC(=O)N[C@@H]3CCCc4nc(N(C)C)ncc43)cc2[nH+]1 ZINC000091493716 542810664 /nfs/dbraw/zinc/81/06/64/542810664.db2.gz ASSQKGXOAJHHPN-OAHLLOKOSA-N 1 2 364.453 2.464 50 0 FEAALO Cc1[nH]c2cc(CC(=O)N[C@@H]3CCCc4nc(N(C)C)ncc43)ccc2[nH+]1 ZINC000091493716 542810665 /nfs/dbraw/zinc/81/06/65/542810665.db2.gz ASSQKGXOAJHHPN-OAHLLOKOSA-N 1 2 364.453 2.464 50 0 FEAALO CCC[C@H](NC(=O)CCc1nc2ccccc2[nH]c1=O)c1[nH+]ccn1C ZINC000091756949 542823590 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Cc1nccnc1N1CCC[C@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 ZINC000072421404 136146112 /nfs/dbraw/zinc/14/61/12/136146112.db2.gz IFHRNNBSOFOXFR-INIZCTEOSA-N 1 2 355.490 2.283 50 0 FEAALO O=C(c1ccn[nH]1)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095374078 542963923 /nfs/dbraw/zinc/96/39/23/542963923.db2.gz UDZCJHMHCKICJN-KBAYOESNSA-N 1 2 358.392 2.390 50 0 FEAALO CC(=O)NCc1ccc(N2CC[C@@]3(C2)CCCN(CC2CCC2)C3=O)[nH+]c1 ZINC000095382427 542965117 /nfs/dbraw/zinc/96/51/17/542965117.db2.gz YQZJDPPWZRPULG-OAQYLSRUSA-N 1 2 370.497 2.337 50 0 FEAALO CCNC(=O)[C@@H]1C[C@H](NC(=O)COc2ccc(C)cc2)C[N@@H+]1CC=C(C)C ZINC000095384991 542966409 /nfs/dbraw/zinc/96/64/09/542966409.db2.gz ZEMVRWAZQAVONS-HKUYNNGSSA-N 1 2 373.497 2.035 50 0 FEAALO CCNC(=O)[C@@H]1C[C@H](NC(=O)COc2ccc(C)cc2)C[N@H+]1CC=C(C)C ZINC000095384991 542966411 /nfs/dbraw/zinc/96/64/11/542966411.db2.gz ZEMVRWAZQAVONS-HKUYNNGSSA-N 1 2 373.497 2.035 50 0 FEAALO O=C(c1ccc[nH]c1=O)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095391761 542967902 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50 0 FEAALO Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000014122086 220107189 /nfs/dbraw/zinc/10/71/89/220107189.db2.gz BECRCQBZNCNHHP-UHFFFAOYSA-N 1 2 370.497 2.259 50 0 FEAALO Cc1ccc(CNC(=O)c2cc(C[N@@H+]3CCC[C@H](O)C3)on2)c(F)c1F ZINC000014962328 220137054 /nfs/dbraw/zinc/13/70/54/220137054.db2.gz PYEREVMJPPIEBW-ZDUSSCGKSA-N 1 2 365.380 2.148 50 0 FEAALO Cc1ccc(CNC(=O)c2cc(C[N@H+]3CCC[C@H](O)C3)on2)c(F)c1F ZINC000014962328 220137057 /nfs/dbraw/zinc/13/70/57/220137057.db2.gz PYEREVMJPPIEBW-ZDUSSCGKSA-N 1 2 365.380 2.148 50 0 FEAALO CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019535568 220268937 /nfs/dbraw/zinc/26/89/37/220268937.db2.gz PZYRIUKFVOLMJR-UHFFFAOYSA-N 1 2 373.478 2.152 50 0 FEAALO CCn1c(C[NH+](C)C)nnc1C1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000077297845 542363339 /nfs/dbraw/zinc/36/33/39/542363339.db2.gz AHOKTYNFLHFCEC-UHFFFAOYSA-N 1 2 371.485 2.388 50 0 FEAALO O=c1[nH]c(=O)n(-c2ccc(F)cc2)c2c1C[N@@H+](CCc1ccccc1)CN2 ZINC000019938911 220306615 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CCOC(=O)C1C(C[NH+]2CCCCC2)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000055562684 221071574 /nfs/dbraw/zinc/07/15/74/221071574.db2.gz YUESKADDVWBCKK-GOSISDBHSA-N 1 2 373.453 2.352 50 0 FEAALO Cc1csc(N2CCC[N@H+](Cc3nc4ccccc4c(=O)[nH]3)CC2)n1 ZINC000058162739 221100922 /nfs/dbraw/zinc/10/09/22/221100922.db2.gz QBZCZWHLHOZGKI-UHFFFAOYSA-N 1 2 355.467 2.400 50 0 FEAALO Cc1csc(N2CCC[N@@H+](Cc3nc4ccccc4c(=O)[nH]3)CC2)n1 ZINC000058162739 221100923 /nfs/dbraw/zinc/10/09/23/221100923.db2.gz QBZCZWHLHOZGKI-UHFFFAOYSA-N 1 2 355.467 2.400 50 0 FEAALO O=C(NC1CC[NH+](Cc2nc3ccccc3c(=O)[nH]2)CC1)c1cccs1 ZINC000058178162 221103214 /nfs/dbraw/zinc/10/32/14/221103214.db2.gz HGXJMIOUVATXEA-UHFFFAOYSA-N 1 2 368.462 2.379 50 0 FEAALO CCCCCCN(CC[NH+]1CCOCC1)C(=O)Nc1cc(C)nn1C ZINC000058129879 221098764 /nfs/dbraw/zinc/09/87/64/221098764.db2.gz RLQOVWMYUPDBAJ-UHFFFAOYSA-N 1 2 351.495 2.475 50 0 FEAALO COc1ccccc1OCC(=O)N(CC[NH+]1CCOCC1)c1ccccc1 ZINC000058161533 221100535 /nfs/dbraw/zinc/10/05/35/221100535.db2.gz PPRGCTSALQPUAR-UHFFFAOYSA-N 1 2 370.449 2.439 50 0 FEAALO O=C(NCc1cn2cc(Br)ccc2[nH+]1)c1ccc2nncn2c1 ZINC000058263964 221111702 /nfs/dbraw/zinc/11/17/02/221111702.db2.gz WMZWZTFBGXNXEA-UHFFFAOYSA-N 1 2 371.198 2.070 50 0 FEAALO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000058245732 221111842 /nfs/dbraw/zinc/11/18/42/221111842.db2.gz KMOIGDCMRHRCGM-INIZCTEOSA-N 1 2 370.428 2.276 50 0 FEAALO CCOC(=O)N1CCC(NC(=O)CCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000065269672 221190986 /nfs/dbraw/zinc/19/09/86/221190986.db2.gz VPJXKPWTUAVEHX-UHFFFAOYSA-N 1 2 374.485 2.352 50 0 FEAALO Cc1ccc2[nH+]c3c(n2c1)[C@H](c1cnc(N2CCCC2)nc1)CC(=O)NC3 ZINC000065370190 221204643 /nfs/dbraw/zinc/20/46/43/221204643.db2.gz YONZNMDOKJRGQY-HNNXBMFYSA-N 1 2 362.437 2.185 50 0 FEAALO CC(C)Cn1ncc2c1NC(=O)C[C@H]2c1ccc[nH+]c1N1CCOCC1 ZINC000065386775 221209104 /nfs/dbraw/zinc/20/91/04/221209104.db2.gz WTBKZENJKCLLBY-HNNXBMFYSA-N 1 2 355.442 2.245 50 0 FEAALO Cc1ccccc1-c1noc(CCC(=O)N(C)C[C@H](C)[NH+]2CCOCC2)n1 ZINC000065404516 221213656 /nfs/dbraw/zinc/21/36/56/221213656.db2.gz HWFUXWHGQFAORD-INIZCTEOSA-N 1 2 372.469 2.157 50 0 FEAALO O=S1(=O)CC[C@H](Cn2c[nH+]c(-c3ccccc3)c2CCn2cccn2)C1 ZINC000065406223 221213828 /nfs/dbraw/zinc/21/38/28/221213828.db2.gz WEQCPYQRRGQINP-MRXNPFEDSA-N 1 2 370.478 2.424 50 0 FEAALO Cc1cccnc1C[NH+]1CCN(CCC(=O)NCc2cccs2)CC1 ZINC000065406720 221214688 /nfs/dbraw/zinc/21/46/88/221214688.db2.gz GQDXKQXGVDDHHA-UHFFFAOYSA-N 1 2 358.511 2.276 50 0 FEAALO Cc1cccn2c1[nH+]c1c2[C@@H](c2cnc(NC(C)C)nc2)CC(=O)NC1 ZINC000065419241 221216542 /nfs/dbraw/zinc/21/65/42/221216542.db2.gz CNPZZWDVMKVDRZ-CQSZACIVSA-N 1 2 350.426 2.405 50 0 FEAALO O=C(Cn1cc[nH+]c1-c1ccccc1)N1CCC(Nc2ncccn2)CC1 ZINC000065426659 221216877 /nfs/dbraw/zinc/21/68/77/221216877.db2.gz QWLSWBMGVFUCCX-UHFFFAOYSA-N 1 2 362.437 2.443 50 0 FEAALO COc1cc2c(cc1C[NH+]1CCN(c3nc(C(N)=O)cs3)CC1)CCC2 ZINC000065491817 221224987 /nfs/dbraw/zinc/22/49/87/221224987.db2.gz ROEMUSGYYSMPAL-UHFFFAOYSA-N 1 2 372.494 2.062 50 0 FEAALO Cc1ccc(C(=O)N2CCN(c3cc(-n4cccn4)nc(C)[nH+]3)CC2)cc1 ZINC000067604165 221262354 /nfs/dbraw/zinc/26/23/54/221262354.db2.gz KMZKEWGZUDEQIS-UHFFFAOYSA-N 1 2 362.437 2.242 50 0 FEAALO CCN(CC)C(=O)NCc1cccnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000067714706 221275958 /nfs/dbraw/zinc/27/59/58/221275958.db2.gz QNTYEHZQLIEOFR-UHFFFAOYSA-N 1 2 368.485 2.355 50 0 FEAALO Cc1ccnc([C@H](NC(=O)c2cc(C[NH+]3CCC(O)CC3)on2)C2CC2)c1 ZINC000067695821 221273304 /nfs/dbraw/zinc/27/33/04/221273304.db2.gz IUIDLDMZDMZHNR-LJQANCHMSA-N 1 2 370.453 2.216 50 0 FEAALO CCn1cnnc1[C@H](C)NC(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000067713896 221274525 /nfs/dbraw/zinc/27/45/25/221274525.db2.gz ZNNXIIGGBYATMC-AWEZNQCLSA-N 1 2 368.441 2.409 50 0 FEAALO CCn1cnnc1[C@H](C)NC(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000067713896 221274527 /nfs/dbraw/zinc/27/45/27/221274527.db2.gz ZNNXIIGGBYATMC-AWEZNQCLSA-N 1 2 368.441 2.409 50 0 FEAALO CCn1cc(CN2CCc3[nH+]c[nH]c3[C@@H]2c2cccn2-c2ncccn2)cn1 ZINC000067786401 221285914 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CC(=O)N1CC[C@H]2CN(c3cc(Sc4cccs4)[nH+]c(N)n3)C[C@H]21 ZINC000082086565 542683438 /nfs/dbraw/zinc/68/34/38/542683438.db2.gz WXKVNAYCGQHJGT-NWDGAFQWSA-N 1 2 361.496 2.329 50 0 FEAALO O=C([C@H]1CCCN(c2cccc[nH+]2)C1)N1CCC(Oc2ncccn2)CC1 ZINC000096148943 132220611 /nfs/dbraw/zinc/22/06/11/132220611.db2.gz WOPVJIAPXMUUCM-INIZCTEOSA-N 1 2 367.453 2.158 50 0 FEAALO C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000096236601 132223272 /nfs/dbraw/zinc/22/32/72/132223272.db2.gz RUGCTZOCLYMTKL-PBHICJAKSA-N 1 2 351.878 2.146 50 0 FEAALO Cc1nc(-c2cccnc2)ncc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000097657293 132230642 /nfs/dbraw/zinc/23/06/42/132230642.db2.gz HWNTYIZQPTZLID-UHFFFAOYSA-N 1 2 360.421 2.204 50 0 FEAALO COc1ccc(-c2nc3c([nH]2)CN(c2cccc([C@@H](C)O)[nH+]2)CC3)cn1 ZINC000220620558 132276081 /nfs/dbraw/zinc/27/60/81/132276081.db2.gz KJHURXWDVRCXOJ-GFCCVEGCSA-N 1 2 351.410 2.491 50 0 FEAALO C[C@H](c1ccccc1F)[NH+]1CCN([C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000089909720 542772811 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/nfs/dbraw/zinc/99/95/70/539999570.db2.gz XIUQWTMPBRENHZ-QGZVFWFLSA-N 1 2 360.479 2.489 50 0 FEAALO C[C@@H](NC(=O)c1cnc2sccn2c1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000040009641 540004085 /nfs/dbraw/zinc/00/40/85/540004085.db2.gz FLYZERIMUTZGNB-GFCCVEGCSA-N 1 2 365.418 2.433 50 0 FEAALO C[NH+](C)[C@H](CNC(=O)CCS(=O)(=O)C1CCCC1)c1ccsc1 ZINC000040120910 540006712 /nfs/dbraw/zinc/00/67/12/540006712.db2.gz JMAJYKGFPXMXJY-OAHLLOKOSA-N 1 2 358.529 2.215 50 0 FEAALO COc1ccccc1[C@@H](CNS(=O)(=O)c1ccc(F)cc1)[NH+](C)C ZINC000040161401 540008905 /nfs/dbraw/zinc/00/89/05/540008905.db2.gz UVSPNZBRIWARQH-MRXNPFEDSA-N 1 2 352.431 2.416 50 0 FEAALO O=C1c2ccccc2C(=O)N1CCN1CC[NH+](Cc2ccccc2F)CC1 ZINC000041106180 540012056 /nfs/dbraw/zinc/01/20/56/540012056.db2.gz YBVJZQSKHQJEIH-UHFFFAOYSA-N 1 2 367.424 2.240 50 0 FEAALO O=C1c2ccccc2C(=O)N1CC[NH+]1CCN(Cc2ccccc2F)CC1 ZINC000041106180 540012059 /nfs/dbraw/zinc/01/20/59/540012059.db2.gz YBVJZQSKHQJEIH-UHFFFAOYSA-N 1 2 367.424 2.240 50 0 FEAALO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccco1 ZINC000047031456 540286115 /nfs/dbraw/zinc/28/61/15/540286115.db2.gz LDOSZHARRQTMBC-AWEZNQCLSA-N 1 2 366.439 2.022 50 0 FEAALO O=C(N[C@@H]1CC[N@@H+](Cc2cscn2)C[C@H]1O)c1ccc2ncsc2c1 ZINC000299768937 223088071 /nfs/dbraw/zinc/08/80/71/223088071.db2.gz NQTQRLWBPBPHBG-UKRRQHHQSA-N 1 2 374.491 2.118 50 0 FEAALO O=C(N[C@@H]1CC[N@H+](Cc2cscn2)C[C@H]1O)c1ccc2ncsc2c1 ZINC000299768937 223088074 /nfs/dbraw/zinc/08/80/74/223088074.db2.gz NQTQRLWBPBPHBG-UKRRQHHQSA-N 1 2 374.491 2.118 50 0 FEAALO O=C([O-])[C@]12CCC[NH2+][C@@H]1CC[N@H+](Cc1cc(F)ccc1-n1cccn1)C2 ZINC000072129109 541785181 /nfs/dbraw/zinc/78/51/81/541785181.db2.gz ZXVGBDYLXGKZDC-MJGOQNOKSA-N 1 2 358.417 2.040 50 0 FEAALO O=C([O-])[C@]12CCC[NH2+][C@@H]1CC[N@@H+](Cc1cc(F)ccc1-n1cccn1)C2 ZINC000072129109 541785183 /nfs/dbraw/zinc/78/51/83/541785183.db2.gz ZXVGBDYLXGKZDC-MJGOQNOKSA-N 1 2 358.417 2.040 50 0 FEAALO COc1ccc(NC(=O)[C@H](C)N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)cc1 ZINC000072312013 541798502 /nfs/dbraw/zinc/79/85/02/541798502.db2.gz QZAJUCFHXWSPDQ-KGLIPLIRSA-N 1 2 362.499 2.131 50 0 FEAALO Cn1c(=O)oc2ccc(C(=O)N3CC[NH+](Cc4cccc(F)c4)CC3)cc21 ZINC000072419619 541808410 /nfs/dbraw/zinc/80/84/10/541808410.db2.gz YNFUJFNBHKRYLE-UHFFFAOYSA-N 1 2 369.396 2.229 50 0 FEAALO COc1cccc2c1NC(=O)C[C@H]2C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000072435185 541813308 /nfs/dbraw/zinc/81/33/08/541813308.db2.gz JHJRHLCRDTVUAY-CQSZACIVSA-N 1 2 354.410 2.250 50 0 FEAALO Cc1ccc(C[N@@H+]2CCN(C(=O)CCc3ccc(O)cc3)C[C@@H]2CCO)o1 ZINC000072433378 541813725 /nfs/dbraw/zinc/81/37/25/541813725.db2.gz DERFIMVTKFQDSO-SFHVURJKSA-N 1 2 372.465 2.322 50 0 FEAALO Cc1ccc(C[N@H+]2CCN(C(=O)CCc3ccc(O)cc3)C[C@@H]2CCO)o1 ZINC000072433378 541813729 /nfs/dbraw/zinc/81/37/29/541813729.db2.gz DERFIMVTKFQDSO-SFHVURJKSA-N 1 2 372.465 2.322 50 0 FEAALO CCOCCn1nc(C)cc1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000072473070 541818650 /nfs/dbraw/zinc/81/86/50/541818650.db2.gz JZCLQFWJBTUOFF-UHFFFAOYSA-N 1 2 374.460 2.325 50 0 FEAALO CCN(CC)c1[nH+]cccc1CNC(=O)C[C@H]1NC(=O)c2ccccc21 ZINC000012705477 220018361 /nfs/dbraw/zinc/01/83/61/220018361.db2.gz UKLAZSLBSQUEEM-QGZVFWFLSA-N 1 2 352.438 2.419 50 0 FEAALO Cc1cc(=O)nc2sc(N3CC[NH+]([C@H](C)c4ccc(F)cc4)CC3)nn21 ZINC000012764472 220027168 /nfs/dbraw/zinc/02/71/68/220027168.db2.gz JSQPBFJPJHVCCY-CYBMUJFWSA-N 1 2 373.457 2.482 50 0 FEAALO Cc1noc(C)c1S(=O)(=O)N1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC000012864701 220037259 /nfs/dbraw/zinc/03/72/59/220037259.db2.gz GDWLKQGLUWPSNA-UHFFFAOYSA-N 1 2 363.483 2.415 50 0 FEAALO Cc1cc(NC[C@H](c2ccc(F)cc2)[NH+]2CCOCC2)n2ncnc2n1 ZINC000012972668 220047050 /nfs/dbraw/zinc/04/70/50/220047050.db2.gz GTBMZJYNRXEVSK-MRXNPFEDSA-N 1 2 356.405 2.057 50 0 FEAALO CCOC(=O)c1c(C)[nH]c(C(=O)C[NH+]2CCC(C(=O)OCC)CC2)c1C ZINC000013135243 220060268 /nfs/dbraw/zinc/06/02/68/220060268.db2.gz XJIRUWOEMVEDNR-UHFFFAOYSA-N 1 2 364.442 2.266 50 0 FEAALO Cc1ccc(C(=O)Nc2ccc(SCC[NH+]3CCOCC3)nn2)cc1 ZINC000013701731 220088110 /nfs/dbraw/zinc/08/81/10/220088110.db2.gz CFKSTEOQHRJGIY-UHFFFAOYSA-N 1 2 358.467 2.462 50 0 FEAALO COC(=O)c1ccc(CNC(=O)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000014016916 220102619 /nfs/dbraw/zinc/10/26/19/220102619.db2.gz LYNBJZZTWSXHNJ-UHFFFAOYSA-N 1 2 357.410 2.094 50 0 FEAALO O=C(CSc1nncn1C1CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000014115448 220107111 /nfs/dbraw/zinc/10/71/11/220107111.db2.gz CUZOOARMELBFJF-UHFFFAOYSA-N 1 2 357.483 2.050 50 0 FEAALO COc1ccc(OCC[NH+]2CCN(C(=O)c3c(C)noc3C)CC2)cc1 ZINC000014165025 220112699 /nfs/dbraw/zinc/11/26/99/220112699.db2.gz MMAXYKIUROPIJI-UHFFFAOYSA-N 1 2 359.426 2.137 50 0 FEAALO CNC(=O)c1nn(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c(=O)c2ccccc21 ZINC000014182831 220113290 /nfs/dbraw/zinc/11/32/90/220113290.db2.gz MELYFEZGWMFMAG-PBHICJAKSA-N 1 2 354.454 2.368 50 0 FEAALO CNC(=O)c1nn(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c(=O)c2ccccc21 ZINC000014182831 220113293 /nfs/dbraw/zinc/11/32/93/220113293.db2.gz MELYFEZGWMFMAG-PBHICJAKSA-N 1 2 354.454 2.368 50 0 FEAALO CNC(=O)CSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000016927326 220197595 /nfs/dbraw/zinc/19/75/95/220197595.db2.gz VZMFRAWSVASEFJ-SNVBAGLBSA-N 1 2 353.879 2.381 50 0 FEAALO Cn1nc(-c2ccc(Cl)cc2)nc1SCC(=O)N1CC[NH+](C)CC1 ZINC000075280159 542165528 /nfs/dbraw/zinc/16/55/28/542165528.db2.gz FSSSITFBZCEVNL-UHFFFAOYSA-N 1 2 365.890 2.002 50 0 FEAALO COc1cccc(OC)c1OCC[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000019708207 220289183 /nfs/dbraw/zinc/28/91/83/220289183.db2.gz JXLZUCSPUHUVGY-UHFFFAOYSA-N 1 2 360.410 2.134 50 0 FEAALO Cc1c(C)n(Cc2ccco2)c2ncnc(NCC[NH+]3CCOCC3)c12 ZINC000020547356 220333413 /nfs/dbraw/zinc/33/34/13/220333413.db2.gz PILGRPDIZKTKKO-UHFFFAOYSA-N 1 2 355.442 2.434 50 0 FEAALO COc1cc(OC)c(N2C(=O)C[C@H]([NH+]3CCCCC3)C2=O)cc1Cl ZINC000020500862 220329578 /nfs/dbraw/zinc/32/95/78/220329578.db2.gz KEKTXXMMDDZLSX-ZDUSSCGKSA-N 1 2 352.818 2.475 50 0 FEAALO CSCC(=O)N1CCC(c2nnc(C[NH+]3CCCC3)n2C2CC2)CC1 ZINC000077406963 542379239 /nfs/dbraw/zinc/37/92/39/542379239.db2.gz VGCMICCKYVHBLH-UHFFFAOYSA-N 1 2 363.531 2.278 50 0 FEAALO Cc1cc2oc(=O)cc(C[N@@H+](C)[C@H]3CCS(=O)(=O)C3)c2cc1Cl ZINC000020679351 220339252 /nfs/dbraw/zinc/33/92/52/220339252.db2.gz BAUWZKPBJIHCOW-LBPRGKRZSA-N 1 2 355.843 2.374 50 0 FEAALO Cc1cc2oc(=O)cc(C[N@H+](C)[C@H]3CCS(=O)(=O)C3)c2cc1Cl ZINC000020679351 220339254 /nfs/dbraw/zinc/33/92/54/220339254.db2.gz BAUWZKPBJIHCOW-LBPRGKRZSA-N 1 2 355.843 2.374 50 0 FEAALO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000020962888 220345513 /nfs/dbraw/zinc/34/55/13/220345513.db2.gz PLUSFJMDSFBZIR-DAYGRLMNSA-N 1 2 362.470 2.477 50 0 FEAALO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000020962888 220345516 /nfs/dbraw/zinc/34/55/16/220345516.db2.gz PLUSFJMDSFBZIR-DAYGRLMNSA-N 1 2 362.470 2.477 50 0 FEAALO COc1ccccc1CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022241898 220380040 /nfs/dbraw/zinc/38/00/40/220380040.db2.gz OZBHJOBYTDZAOG-UHFFFAOYSA-N 1 2 368.433 2.311 50 0 FEAALO CN1CC[NH+](CCC2N=NC(=S)N2c2cccc3ccccc32)CC1 ZINC000022590886 220391795 /nfs/dbraw/zinc/39/17/95/220391795.db2.gz ZMGKUXISUTVVET-UHFFFAOYSA-N 1 2 353.495 2.499 50 0 FEAALO Cc1cc(CN2CC[NH+](CC(=O)N[C@@H]3CCCc4ccccc43)CC2)no1 ZINC000022799307 220398182 /nfs/dbraw/zinc/39/81/82/220398182.db2.gz UEDSMWANFIGICA-HXUWFJFHSA-N 1 2 368.481 2.294 50 0 FEAALO CC(C)C(=O)Nc1nc(CC(=O)NCc2ccc(N(C)C)[nH+]c2)cs1 ZINC000048355009 221009713 /nfs/dbraw/zinc/00/97/13/221009713.db2.gz OKRSBZVXINQHMX-UHFFFAOYSA-N 1 2 361.471 2.058 50 0 FEAALO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NCCn1cc[nH+]c1 ZINC000048363986 221011002 /nfs/dbraw/zinc/01/10/02/221011002.db2.gz SUNJDIKEHUOECT-CYBMUJFWSA-N 1 2 350.831 2.156 50 0 FEAALO O=C(COc1cccc(Cl)c1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000052845160 221040369 /nfs/dbraw/zinc/04/03/69/221040369.db2.gz VOVNDKBBEFHMOJ-QGZVFWFLSA-N 1 2 370.902 2.043 50 0 FEAALO CCOC(=O)C1=C(C[N@H+]2CC=C(c3ccccc3)CC2)NC(=O)N[C@H]1C ZINC000058161808 221100706 /nfs/dbraw/zinc/10/07/06/221100706.db2.gz AWOIABQGWMWGTH-AWEZNQCLSA-N 1 2 355.438 2.294 50 0 FEAALO CCOC(=O)C1=C(C[N@@H+]2CC=C(c3ccccc3)CC2)NC(=O)N[C@H]1C ZINC000058161808 221100708 /nfs/dbraw/zinc/10/07/08/221100708.db2.gz AWOIABQGWMWGTH-AWEZNQCLSA-N 1 2 355.438 2.294 50 0 FEAALO CC(=O)N1CCC[C@H](C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000061477144 221133751 /nfs/dbraw/zinc/13/37/51/221133751.db2.gz MQIPVNTYYMSZPC-MRSBXDGLSA-N 1 2 355.482 2.103 50 0 FEAALO COC(=O)c1sccc1NC(=O)C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000058298297 221113358 /nfs/dbraw/zinc/11/33/58/221113358.db2.gz UZJYMMGEJCBGAB-UHFFFAOYSA-N 1 2 360.435 2.280 50 0 FEAALO COC(=O)c1sccc1NC(=O)C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000058298297 221113361 /nfs/dbraw/zinc/11/33/61/221113361.db2.gz UZJYMMGEJCBGAB-UHFFFAOYSA-N 1 2 360.435 2.280 50 0 FEAALO O=C(CCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)N1CCCCCC1 ZINC000058421007 221118723 /nfs/dbraw/zinc/11/87/23/221118723.db2.gz ASCQHVQUURECMU-UHFFFAOYSA-N 1 2 373.501 2.274 50 0 FEAALO C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 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CCCc1n[nH]cc1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000299797607 528680663 /nfs/dbraw/zinc/68/06/63/528680663.db2.gz OFWPAQATGCWEJZ-UHFFFAOYSA-N 1 2 356.426 2.049 50 0 FEAALO COc1ccc(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1Cl ZINC000159328407 545943177 /nfs/dbraw/zinc/94/31/77/545943177.db2.gz NVQMOGDYGKLAGS-GFCCVEGCSA-N 1 2 367.858 2.301 50 0 FEAALO C[C@@H]1CC[C@H](C)N(C(=O)NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)C1 ZINC000176412136 546442105 /nfs/dbraw/zinc/44/21/05/546442105.db2.gz VBANGNXYWIXIKJ-CABCVRRESA-N 1 2 373.501 2.113 50 0 FEAALO CNc1[nH+]cnc2c1cnn2CC(=O)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC000193702999 548394244 /nfs/dbraw/zinc/39/42/44/548394244.db2.gz XRUGSTFPXAMCMW-KRWDZBQOSA-N 1 2 366.425 2.144 50 0 FEAALO C[N@@H+]1CCN(C(=O)c2cnc(N)nc2C(F)(F)F)C[C@@H]1c1ccccc1 ZINC000215524694 548671154 /nfs/dbraw/zinc/67/11/54/548671154.db2.gz UOJDGEFCEGGRQV-CYBMUJFWSA-N 1 2 365.359 2.207 50 0 FEAALO C[N@H+]1CCN(C(=O)c2cnc(N)nc2C(F)(F)F)C[C@@H]1c1ccccc1 ZINC000215524694 548671157 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549587258 /nfs/dbraw/zinc/58/72/58/549587258.db2.gz XPJNARCUPLQYTP-HNNXBMFYSA-N 1 2 374.514 2.001 50 0 FEAALO COC[C@@H]1CC(F)(F)C[N@@H+]1C1CCN(C(=O)c2ncccc2F)CC1 ZINC000257189232 549714711 /nfs/dbraw/zinc/71/47/11/549714711.db2.gz HVDSQZRGXZFLAM-ZDUSSCGKSA-N 1 2 357.376 2.181 50 0 FEAALO COC[C@@H]1CC(F)(F)C[N@H+]1C1CCN(C(=O)c2ncccc2F)CC1 ZINC000257189232 549714716 /nfs/dbraw/zinc/71/47/16/549714716.db2.gz HVDSQZRGXZFLAM-ZDUSSCGKSA-N 1 2 357.376 2.181 50 0 FEAALO Cc1cccnc1OC1CCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)CC1 ZINC000290926597 552563380 /nfs/dbraw/zinc/56/33/80/552563380.db2.gz JALSBJNOWGSLDG-INIZCTEOSA-N 1 2 369.469 2.189 50 0 FEAALO Cc1cccnc1OC1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000290926597 552563382 /nfs/dbraw/zinc/56/33/82/552563382.db2.gz JALSBJNOWGSLDG-INIZCTEOSA-N 1 2 369.469 2.189 50 0 FEAALO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000298590920 553445695 /nfs/dbraw/zinc/44/56/95/553445695.db2.gz YTFWTTRFJGIURS-XHSDSOJGSA-N 1 2 364.511 2.109 50 0 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Cn1cc(NC(=O)C[N@H+]2CCc3[nH]nc(-c4ccc(F)c(F)c4)c3C2)cn1 ZINC000067696355 221273191 /nfs/dbraw/zinc/27/31/91/221273191.db2.gz FPTDBJCSUGHOJD-UHFFFAOYSA-N 1 2 372.379 2.085 50 0 FEAALO Cc1nc(C[N@H+]2CCC[C@@H](c3nn(C)c(=O)n3-c3ccccc3)C2)co1 ZINC000067713391 221274673 /nfs/dbraw/zinc/27/46/73/221274673.db2.gz SYVGNEKYJSRKLV-OAHLLOKOSA-N 1 2 353.426 2.247 50 0 FEAALO Cc1nc(C[N@@H+]2CCC[C@@H](c3nn(C)c(=O)n3-c3ccccc3)C2)co1 ZINC000067713391 221274677 /nfs/dbraw/zinc/27/46/77/221274677.db2.gz SYVGNEKYJSRKLV-OAHLLOKOSA-N 1 2 353.426 2.247 50 0 FEAALO O=C(C[NH+]1CCC(O)CC1)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000069245604 221322901 /nfs/dbraw/zinc/32/29/01/221322901.db2.gz YQLUALOXIFTMNW-HNNXBMFYSA-N 1 2 359.451 2.476 50 0 FEAALO CC(=O)N1CCc2c(nc(-c3ccncc3)nc2N[C@H](C)c2[nH]cc[nH+]2)C1 ZINC000071738470 221357306 /nfs/dbraw/zinc/35/73/06/221357306.db2.gz AJKBXLXQBQYISC-GFCCVEGCSA-N 1 2 363.425 2.339 50 0 FEAALO CC(=O)N1CCc2c(nc(-c3ccncc3)nc2N[C@@H](C)c2[nH]cc[nH+]2)C1 ZINC000071738469 221357461 /nfs/dbraw/zinc/35/74/61/221357461.db2.gz AJKBXLXQBQYISC-LBPRGKRZSA-N 1 2 363.425 2.339 50 0 FEAALO CC(=O)N1CCc2c(nc(-c3cccnc3)nc2N[C@@H](C)c2[nH]cc[nH+]2)C1 ZINC000071762493 221369384 /nfs/dbraw/zinc/36/93/84/221369384.db2.gz KCTSFKXJBPKJSR-LBPRGKRZSA-N 1 2 363.425 2.339 50 0 FEAALO Cc1ccccc1CNc1ccnc(C(=O)NCC[NH+]2CCOCC2)c1 ZINC000071764571 221370814 /nfs/dbraw/zinc/37/08/14/221370814.db2.gz HZZBLIAZSBSQIB-UHFFFAOYSA-N 1 2 354.454 2.064 50 0 FEAALO CN(C)C(=O)NCc1cc2n(n1)CC[N@H+](Cc1cccc3ncccc13)C2 ZINC000082119998 542684329 /nfs/dbraw/zinc/68/43/29/542684329.db2.gz UJTHRBKVWNPVOQ-UHFFFAOYSA-N 1 2 364.453 2.218 50 0 FEAALO CN(C)C(=O)NCc1cc2n(n1)CC[N@@H+](Cc1cccc3ncccc13)C2 ZINC000082119998 542684333 /nfs/dbraw/zinc/68/43/33/542684333.db2.gz UJTHRBKVWNPVOQ-UHFFFAOYSA-N 1 2 364.453 2.218 50 0 FEAALO Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCCN(c2ncccc2Cl)C1 ZINC000091997839 132205382 /nfs/dbraw/zinc/20/53/82/132205382.db2.gz NJOILAAYHVILLQ-CYBMUJFWSA-N 1 2 357.849 2.492 50 0 FEAALO NC(=O)c1cc2c([nH+]c1N1CCN(c3ccc(Cl)cn3)CC1)CCC2 ZINC000095525317 132214592 /nfs/dbraw/zinc/21/45/92/132214592.db2.gz NZOUIKQNVLXSJN-UHFFFAOYSA-N 1 2 357.845 2.044 50 0 FEAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N2CCC(C(N)=O)CC2)c(C)c1 ZINC000001249021 132381400 /nfs/dbraw/zinc/38/14/00/132381400.db2.gz WUQFTDKEKURMCO-UHFFFAOYSA-N 1 2 350.426 2.134 50 0 FEAALO COCCn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2cc(C)cs2)C1 ZINC000092045795 542841211 /nfs/dbraw/zinc/84/12/11/542841211.db2.gz SULLUNBMYUGUOU-AWEZNQCLSA-N 1 2 369.512 2.468 50 0 FEAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2nc3ccccc3n(C)c2=O)C1 ZINC000092097632 542845131 /nfs/dbraw/zinc/84/51/31/542845131.db2.gz ROQVPJQFUUFMSQ-CQSZACIVSA-N 1 2 365.437 2.170 50 0 FEAALO COc1cc(C[N@@H+]2CCOC3(CCCC3)C2)cc(Cl)c1OCC(N)=O ZINC000093588955 542934757 /nfs/dbraw/zinc/93/47/57/542934757.db2.gz MKNDWRLNLCHDHG-UHFFFAOYSA-N 1 2 368.861 2.358 50 0 FEAALO COc1cc(C[N@H+]2CCOC3(CCCC3)C2)cc(Cl)c1OCC(N)=O ZINC000093588955 542934759 /nfs/dbraw/zinc/93/47/59/542934759.db2.gz MKNDWRLNLCHDHG-UHFFFAOYSA-N 1 2 368.861 2.358 50 0 FEAALO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)Nc1cccc(Cl)c1 ZINC000047324063 136122677 /nfs/dbraw/zinc/12/26/77/136122677.db2.gz MATOZNZKTZJGHO-UHFFFAOYSA-N 1 2 360.849 2.074 50 0 FEAALO NC(=O)c1ccccc1NC(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000055070021 136125927 /nfs/dbraw/zinc/12/59/27/136125927.db2.gz GHHRFWNTBDUMCX-UHFFFAOYSA-N 1 2 372.856 2.200 50 0 FEAALO C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000057406129 136129221 /nfs/dbraw/zinc/12/92/21/136129221.db2.gz FGIGNOZNPJGSLE-INIZCTEOSA-N 1 2 351.450 2.492 50 0 FEAALO O=C(c1ccccc1)N1CC[NH+]=C1N1CCN(c2ccccc2F)CC1 ZINC000064677853 136133590 /nfs/dbraw/zinc/13/35/90/136133590.db2.gz BQIBYHRHMNVFFD-UHFFFAOYSA-N 1 2 352.413 2.460 50 0 FEAALO CN(CC(=O)N1CCN(c2cccc[nH+]2)CC1)c1nc2ccccc2s1 ZINC000070640842 136138459 /nfs/dbraw/zinc/13/84/59/136138459.db2.gz BOEUPKJMQRZBHL-UHFFFAOYSA-N 1 2 367.478 2.476 50 0 FEAALO CCC(CC)C(=O)N1CCN(c2cc(-n3c[nH+]c(C)c3C)ncn2)CC1 ZINC000072436906 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362.445 2.453 50 0 FEAALO COc1ccc(C[NH+]2C[C@H]3C[N@H+](CC4CCC4)C[C@@]3(C(=O)[O-])C2)c(F)c1 ZINC000096140966 222046028 /nfs/dbraw/zinc/04/60/28/222046028.db2.gz HWIJSHOQPOFJCM-OXQOHEQNSA-N 1 2 362.445 2.453 50 0 FEAALO COc1ccc(C[NH+]2C[C@H]3C[N@@H+](CC4CCC4)C[C@@]3(C(=O)[O-])C2)c(F)c1 ZINC000096140966 222046030 /nfs/dbraw/zinc/04/60/30/222046030.db2.gz HWIJSHOQPOFJCM-OXQOHEQNSA-N 1 2 362.445 2.453 50 0 FEAALO NC(=O)COc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000097001586 222149289 /nfs/dbraw/zinc/14/92/89/222149289.db2.gz JMLNUSKRNQCTOD-UHFFFAOYSA-N 1 2 374.404 2.292 50 0 FEAALO C[N@@H+]1CCc2n[nH]c(C(=O)NCc3cnc(-c4ccccc4)s3)c2C1 ZINC000097217355 222169185 /nfs/dbraw/zinc/16/91/85/222169185.db2.gz DXBRQUMKYBOOLS-UHFFFAOYSA-N 1 2 353.451 2.451 50 0 FEAALO C[N@H+]1CCc2n[nH]c(C(=O)NCc3cnc(-c4ccccc4)s3)c2C1 ZINC000097217355 222169189 /nfs/dbraw/zinc/16/91/89/222169189.db2.gz DXBRQUMKYBOOLS-UHFFFAOYSA-N 1 2 353.451 2.451 50 0 FEAALO O=c1c(=O)c(N2CC[NH+](Cc3ccccc3)CC2)c1NCc1ccccc1 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COc1ccccc1C(=O)NCC1CC[NH+](Cc2nnc(C)s2)CC1 ZINC000952981686 681795082 /nfs/dbraw/zinc/79/50/82/681795082.db2.gz VHJBAXJATLKYOC-UHFFFAOYSA-N 1 2 360.483 2.497 50 0 FEAALO O=C(C[C@H](C(=O)N1CCc2ccccc21)n1cc[nH+]c1)NC1CCCC1 ZINC000003046732 539359561 /nfs/dbraw/zinc/35/95/61/539359561.db2.gz DVWMRCJAHKORRI-GOSISDBHSA-N 1 2 352.438 2.462 50 0 FEAALO COC(=O)c1sc(NC(=O)C[NH+]2CCCCC2)c(C(=O)OC)c1C ZINC000006741022 539436065 /nfs/dbraw/zinc/43/60/65/539436065.db2.gz RTZKXDRVNYZFPC-UHFFFAOYSA-N 1 2 354.428 2.054 50 0 FEAALO Cc1ccc(NC(=O)Cn2cc[nH+]c2)cc1S(=O)(=O)N1CCCCC1 ZINC000010809308 539521178 /nfs/dbraw/zinc/52/11/78/539521178.db2.gz AYLMXFQACDLEMP-UHFFFAOYSA-N 1 2 362.455 2.005 50 0 FEAALO O=C(CSc1ccc(F)cc1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000011129211 539525338 /nfs/dbraw/zinc/52/53/38/539525338.db2.gz AKRGNEGXVOZFCU-UHFFFAOYSA-N 1 2 361.442 2.466 50 0 FEAALO CN(C)c1nc2nonc2nc1N1CCC[C@H](c2[nH]c3ccccc3[nH+]2)C1 ZINC000011935472 539539768 /nfs/dbraw/zinc/53/97/68/539539768.db2.gz CRRKEBZISARTMY-NSHDSACASA-N 1 2 364.413 2.339 50 0 FEAALO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3C(N)=O)c(C)o2)c(OC)c1C ZINC000012302041 539553017 /nfs/dbraw/zinc/55/30/17/539553017.db2.gz UQMOIZYZBWMDSV-HNNXBMFYSA-N 1 2 359.426 2.425 50 0 FEAALO COc1ccc(-c2nc(C[N@H+]3CCC[C@H]3C(N)=O)c(C)o2)c(OC)c1C ZINC000012302041 539553020 /nfs/dbraw/zinc/55/30/20/539553020.db2.gz UQMOIZYZBWMDSV-HNNXBMFYSA-N 1 2 359.426 2.425 50 0 FEAALO CC(C)Cc1cc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCOCC3)C2)n[nH]1 ZINC000012316664 539554158 /nfs/dbraw/zinc/55/41/58/539554158.db2.gz YJYAZLZCGOIMPW-QGZVFWFLSA-N 1 2 362.518 2.459 50 0 FEAALO CC(C)Cc1cc(C[N@H+]2CCC[C@H](CCC(=O)N3CCOCC3)C2)n[nH]1 ZINC000012316664 539554164 /nfs/dbraw/zinc/55/41/64/539554164.db2.gz YJYAZLZCGOIMPW-QGZVFWFLSA-N 1 2 362.518 2.459 50 0 FEAALO Cc1cccc(N2CC[NH+]([C@H](C)c3nc(N)nc(N(C)C)n3)CC2)c1C ZINC000012644275 539568982 /nfs/dbraw/zinc/56/89/82/539568982.db2.gz RNDZSCFDPZAJIB-OAHLLOKOSA-N 1 2 355.490 2.020 50 0 FEAALO O=C(C[NH+]1CCN(c2ccccc2F)CC1)NCCc1ccc(F)cc1 ZINC000013323522 539585915 /nfs/dbraw/zinc/58/59/15/539585915.db2.gz MKNURXIQPPDBBN-UHFFFAOYSA-N 1 2 359.420 2.446 50 0 FEAALO COc1cc(OC)c(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1OC ZINC000018254706 539648571 /nfs/dbraw/zinc/64/85/71/539648571.db2.gz BLXYDPZDXFSIEG-UHFFFAOYSA-N 1 2 357.410 2.070 50 0 FEAALO O=C(c1ccc(C[NH+]2CCOCC2)cc1)N1CC(=O)Nc2ccccc21 ZINC000020051328 539672557 /nfs/dbraw/zinc/67/25/57/539672557.db2.gz ZXSGRPASBRXXBF-UHFFFAOYSA-N 1 2 351.406 2.118 50 0 FEAALO Cn1cnn(CN2CC[NH+](CCOc3ccccc3Cl)CC2)c1=S ZINC000023249079 539710069 /nfs/dbraw/zinc/71/00/69/539710069.db2.gz OQVSIYDNGLQHRC-UHFFFAOYSA-N 1 2 367.906 2.259 50 0 FEAALO CCc1[nH]c(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c(C)c1C(=O)OC ZINC000023608426 539716979 /nfs/dbraw/zinc/71/69/79/539716979.db2.gz NKBRVMXQKOPSBK-UHFFFAOYSA-N 1 2 362.455 2.369 50 0 FEAALO CCc1[nH]c(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c(C)c1C(=O)OC ZINC000023608426 539716982 /nfs/dbraw/zinc/71/69/82/539716982.db2.gz NKBRVMXQKOPSBK-UHFFFAOYSA-N 1 2 362.455 2.369 50 0 FEAALO Nc1nccnc1C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000024014273 539723803 /nfs/dbraw/zinc/72/38/03/539723803.db2.gz SHNGFSSAJNSTMH-UHFFFAOYSA-N 1 2 365.359 2.036 50 0 FEAALO COc1ccc(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000024014441 539723929 /nfs/dbraw/zinc/72/39/29/539723929.db2.gz JLRZLZVTIAXPGQ-UHFFFAOYSA-N 1 2 354.450 2.386 50 0 FEAALO O=C(C[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000025540824 539762078 /nfs/dbraw/zinc/76/20/78/539762078.db2.gz FRQVMSLQGINXMK-GOSISDBHSA-N 1 2 369.444 2.101 50 0 FEAALO O=S(=O)(/C=C/c1ccccc1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000026231903 539780921 /nfs/dbraw/zinc/78/09/21/539780921.db2.gz SQKVXILKCJPYJX-RDPWEWGOSA-N 1 2 372.490 2.478 50 0 FEAALO O=S(=O)(/C=C/c1ccccc1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000026231903 539780926 /nfs/dbraw/zinc/78/09/26/539780926.db2.gz SQKVXILKCJPYJX-RDPWEWGOSA-N 1 2 372.490 2.478 50 0 FEAALO COC(=O)C1=C(C[NH+]2CCC(C)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000026455861 539787784 /nfs/dbraw/zinc/78/77/84/539787784.db2.gz FZSCHORFQFCQRM-GOSISDBHSA-N 1 2 373.453 2.208 50 0 FEAALO CC1=C(C(N)=O)[C@H](c2cccnc2)N2NC(c3ccc(Cl)cc3)=NC2=[NH+]1 ZINC000000940666 219343778 /nfs/dbraw/zinc/34/37/78/219343778.db2.gz BZXMRFYVXRPNSZ-HNNXBMFYSA-N 1 2 366.812 2.172 50 0 FEAALO Cn1ccnc1[C@H]([NH2+]C[C@H](O)COCc1ccco1)c1ccccc1F ZINC000028690066 539835261 /nfs/dbraw/zinc/83/52/61/539835261.db2.gz DPWASUDCZLTOSX-KBXCAEBGSA-N 1 2 359.401 2.409 50 0 FEAALO Cc1cccc([C@@H](CNc2cnn(C)c(=O)c2Cl)[NH+]2CCOCC2)c1 ZINC000029626763 539859217 /nfs/dbraw/zinc/85/92/17/539859217.db2.gz KBVIHDADALUWMJ-MRXNPFEDSA-N 1 2 362.861 2.228 50 0 FEAALO C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000029987194 539871838 /nfs/dbraw/zinc/87/18/38/539871838.db2.gz SAUVAMJFSRFSGX-IUODEOHRSA-N 1 2 360.433 2.316 50 0 FEAALO CCc1noc([C@@H](C)[NH+]2CCC(NS(=O)(=O)c3ccccc3)CC2)n1 ZINC000032760207 539951077 /nfs/dbraw/zinc/95/10/77/539951077.db2.gz YKHOPCSBYDKXTN-CYBMUJFWSA-N 1 2 364.471 2.136 50 0 FEAALO COCCNC(=O)C1CCN(c2[nH+]cccc2-n2c(C)ccc2C)CC1 ZINC000033034504 539964609 /nfs/dbraw/zinc/96/46/09/539964609.db2.gz DZPWGCSLCDRDPE-UHFFFAOYSA-N 1 2 356.470 2.468 50 0 FEAALO CC[C@@H](C)CN1C(=O)C[NH2+]C12CCN(C(=O)c1ccc(OC)cc1)CC2 ZINC000036026344 539984955 /nfs/dbraw/zinc/98/49/55/539984955.db2.gz HFKDKQPTUKAMRZ-OAHLLOKOSA-N 1 2 359.470 2.105 50 0 FEAALO CCNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000036255910 539988275 /nfs/dbraw/zinc/98/82/75/539988275.db2.gz KJMXUQSQQFRPGS-IBGZPJMESA-N 1 2 373.497 2.148 50 0 FEAALO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2ccc3nsnc3c2)CC1 ZINC000038679334 540000416 /nfs/dbraw/zinc/00/04/16/540000416.db2.gz MEAJPXGVZKEJCA-UHFFFAOYSA-N 1 2 357.439 2.254 50 0 FEAALO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000040030624 540004468 /nfs/dbraw/zinc/00/44/68/540004468.db2.gz UIZPAYUZYPEIOE-LJQANCHMSA-N 1 2 374.506 2.483 50 0 FEAALO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000040030624 540004471 /nfs/dbraw/zinc/00/44/71/540004471.db2.gz UIZPAYUZYPEIOE-LJQANCHMSA-N 1 2 374.506 2.483 50 0 FEAALO O=C(Cc1ccc(-n2cccn2)cc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000040107264 540006452 /nfs/dbraw/zinc/00/64/52/540006452.db2.gz QLZPYDGOKYNCBQ-UHFFFAOYSA-N 1 2 361.449 2.154 50 0 FEAALO O=C(NCCn1cc[nH+]c1)Nc1ccccc1I ZINC000040095953 540006231 /nfs/dbraw/zinc/00/62/31/540006231.db2.gz XDLUAYJXUQLDPB-UHFFFAOYSA-N 1 2 356.167 2.309 50 0 FEAALO O=C(C[NH+](C[C@H]1CCCO1)C[C@H]1CCCO1)N1CCC(c2ccccc2)=N1 ZINC000040120161 540007134 /nfs/dbraw/zinc/00/71/34/540007134.db2.gz MNZBJVJTOWNENS-RTBURBONSA-N 1 2 371.481 2.283 50 0 FEAALO CC(C)COc1ccc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)cn1 ZINC000040141872 540007630 /nfs/dbraw/zinc/00/76/30/540007630.db2.gz FSWGAJAGIBYTHN-UHFFFAOYSA-N 1 2 370.453 2.278 50 0 FEAALO C[C@H]1C[NH+](CCNC(=O)COCc2nc3ccccc3s2)C[C@H](C)O1 ZINC000042032176 540047074 /nfs/dbraw/zinc/04/70/74/540047074.db2.gz REQYTZNHUVWWIT-KBPBESRZSA-N 1 2 363.483 2.038 50 0 FEAALO Cn1c2ccccc2[nH+]c1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000042381469 540061213 /nfs/dbraw/zinc/06/12/13/540061213.db2.gz VKFZVFCAONOGNR-UHFFFAOYSA-N 1 2 370.478 2.225 50 0 FEAALO Nc1cc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC000042783828 540078792 /nfs/dbraw/zinc/07/87/92/540078792.db2.gz JXJZQCMQAXGUER-UHFFFAOYSA-N 1 2 365.886 2.429 50 0 FEAALO COC(=O)N1CC[NH+](CCNC(=O)NCc2cccc3ccccc32)CC1 ZINC000044227244 540120395 /nfs/dbraw/zinc/12/03/95/540120395.db2.gz XQCGWYBTQQWBQN-UHFFFAOYSA-N 1 2 370.453 2.023 50 0 FEAALO COc1cc(C(=O)N2CC[NH+](Cc3cccnc3)CC2)cc(OC)c1OC ZINC000052541491 540472456 /nfs/dbraw/zinc/47/24/56/540472456.db2.gz ZCLHEJUBDDDMKC-UHFFFAOYSA-N 1 2 371.437 2.065 50 0 FEAALO O=C(c1cccc(-c2cccs2)c1)N1CC[NH+](CCn2cncn2)CC1 ZINC000299765104 223086272 /nfs/dbraw/zinc/08/62/72/223086272.db2.gz VPVGTSURJLBCFO-UHFFFAOYSA-N 1 2 367.478 2.465 50 0 FEAALO COc1ccc(C(=O)N2CC[NH+](Cc3cccc4nonc43)CC2)cc1 ZINC000072132059 541785483 /nfs/dbraw/zinc/78/54/83/541785483.db2.gz GMQUDQPVIMWVRA-UHFFFAOYSA-N 1 2 352.394 2.189 50 0 FEAALO CC(C)CNC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2c1 ZINC000072161279 541792136 /nfs/dbraw/zinc/79/21/36/541792136.db2.gz DBBGMPOLNJIDLC-LJQANCHMSA-N 1 2 353.466 2.303 50 0 FEAALO CC(C)CNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000072161279 541792138 /nfs/dbraw/zinc/79/21/38/541792138.db2.gz DBBGMPOLNJIDLC-LJQANCHMSA-N 1 2 353.466 2.303 50 0 FEAALO Cc1cccc(OCC(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1 ZINC000072264672 541796295 /nfs/dbraw/zinc/79/62/95/541796295.db2.gz MIVRTCOJSCVCQB-HXUWFJFHSA-N 1 2 354.450 2.252 50 0 FEAALO Cc1cc2nc(C(C)C)cc(N3CCCO[C@@H](C[NH+]4CCOCC4)C3)n2n1 ZINC000072418797 541808379 /nfs/dbraw/zinc/80/83/79/541808379.db2.gz KWPJVMGAEPTCER-KRWDZBQOSA-N 1 2 373.501 2.089 50 0 FEAALO COCCCN1C[C@@]2(CCC[N@H+](Cc3nnc(C4CC4)o3)C2)CCC1=O ZINC000072428622 541811791 /nfs/dbraw/zinc/81/17/91/541811791.db2.gz PKIOMNDMYAFAKA-IBGZPJMESA-N 1 2 362.474 2.188 50 0 FEAALO COCCCN1C[C@@]2(CCC[N@@H+](Cc3nnc(C4CC4)o3)C2)CCC1=O ZINC000072428622 541811793 /nfs/dbraw/zinc/81/17/93/541811793.db2.gz PKIOMNDMYAFAKA-IBGZPJMESA-N 1 2 362.474 2.188 50 0 FEAALO COC(=O)C1=C(C[N@@H+]2CCC[C@@H](C)C2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000013566278 220074288 /nfs/dbraw/zinc/07/42/88/220074288.db2.gz CESBUDCKGYCTQM-FZKQIMNGSA-N 1 2 373.453 2.208 50 0 FEAALO COC(=O)C1=C(C[N@H+]2CCC[C@@H](C)C2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000013566278 220074291 /nfs/dbraw/zinc/07/42/91/220074291.db2.gz CESBUDCKGYCTQM-FZKQIMNGSA-N 1 2 373.453 2.208 50 0 FEAALO CCCNC(=O)CN1CCN(c2[nH+]ccn2-c2cccc(Cl)c2)CC1 ZINC000013694858 220086954 /nfs/dbraw/zinc/08/69/54/220086954.db2.gz SSWHYDGMSCEXBE-UHFFFAOYSA-N 1 2 361.877 2.174 50 0 FEAALO O=C(COC(=O)c1cccs1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000014161517 220112033 /nfs/dbraw/zinc/11/20/33/220112033.db2.gz YXLRYVYCQOUESF-UHFFFAOYSA-N 1 2 360.435 2.376 50 0 FEAALO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[N@@H+]1CCCC[C@H]1C ZINC000016484644 220184988 /nfs/dbraw/zinc/18/49/88/220184988.db2.gz WOVBBKHCTJSTAT-SNVBAGLBSA-N 1 2 367.471 2.145 50 0 FEAALO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[N@H+]1CCCC[C@H]1C ZINC000016484644 220184991 /nfs/dbraw/zinc/18/49/91/220184991.db2.gz WOVBBKHCTJSTAT-SNVBAGLBSA-N 1 2 367.471 2.145 50 0 FEAALO COc1cc(OC)c(OC)cc1CN1CC[NH+](Cc2ccccn2)CC1 ZINC000019369110 220252865 /nfs/dbraw/zinc/25/28/65/220252865.db2.gz LAZFCEDWAUOYQV-UHFFFAOYSA-N 1 2 357.454 2.425 50 0 FEAALO Cc1[nH]ccc1C(=O)N1CCC(c2nnc(C[NH+]3CCCCC3)n2C)CC1 ZINC000077298906 542363640 /nfs/dbraw/zinc/36/36/40/542363640.db2.gz MDBCXYGGLWTFPY-UHFFFAOYSA-N 1 2 370.501 2.457 50 0 FEAALO COc1ccc2ncc(C(=O)N3CCC[C@H](Cn4cc[nH+]c4)C3)c(O)c2c1 ZINC000077321250 542367151 /nfs/dbraw/zinc/36/71/51/542367151.db2.gz MYTWLQRVZNBPHR-CQSZACIVSA-N 1 2 366.421 2.286 50 0 FEAALO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)cc1 ZINC000021476147 220358415 /nfs/dbraw/zinc/35/84/15/220358415.db2.gz VXMAJYYUWKUJRQ-UHFFFAOYSA-N 1 2 365.437 2.315 50 0 FEAALO Cc1nc2n(n1)C(=O)C([C@@H](c1ccc(F)cc1)N1CC[NH+](C)CC1)S2 ZINC000022458956 220386584 /nfs/dbraw/zinc/38/65/84/220386584.db2.gz UTNSYSHBCDRBIQ-CQSZACIVSA-N 1 2 361.446 2.281 50 0 FEAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)Nc1ccccc1 ZINC000022804973 220397971 /nfs/dbraw/zinc/39/79/71/220397971.db2.gz FVCBYIDFUZGNCC-UHFFFAOYSA-N 1 2 351.450 2.378 50 0 FEAALO O=C(CCn1nnc2ccccc2c1=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000025175706 220477220 /nfs/dbraw/zinc/47/72/20/220477220.db2.gz VNMBGDHQHVBLCU-UHFFFAOYSA-N 1 2 374.404 2.065 50 0 FEAALO COc1ccc(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccco3)CC2)cc1OC ZINC000032851065 220687417 /nfs/dbraw/zinc/68/74/17/220687417.db2.gz AWFWUNHXUKIWEU-OAHLLOKOSA-N 1 2 373.453 2.442 50 0 FEAALO C[C@@H](CNC(=O)Nc1ccc(F)cc1Br)[NH+]1CCOCC1 ZINC000048451732 221012929 /nfs/dbraw/zinc/01/29/29/221012929.db2.gz LRFKVBXOUBVWHM-JTQLQIEISA-N 1 2 360.227 2.430 50 0 FEAALO Cc1cccc(NC(=O)C[NH+]2CC(c3nc(-c4ncccn4)no3)C2)c1C ZINC000049483095 221022842 /nfs/dbraw/zinc/02/28/42/221022842.db2.gz UIOYFILNDNMMJZ-UHFFFAOYSA-N 1 2 364.409 2.181 50 0 FEAALO C[C@@H]1CN(C(=O)C[N@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)CCO1 ZINC000052638658 221039019 /nfs/dbraw/zinc/03/90/19/221039019.db2.gz UGJYAUNWMFBOFK-TYFHEEPYSA-N 1 2 373.280 2.131 50 0 FEAALO C[C@@H]1CN(C(=O)C[N@@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)CCO1 ZINC000052638658 221039022 /nfs/dbraw/zinc/03/90/22/221039022.db2.gz UGJYAUNWMFBOFK-TYFHEEPYSA-N 1 2 373.280 2.131 50 0 FEAALO Cc1nc(C(C)C)ncc1C(=O)N1CC[NH+](Cc2ccccc2CO)CC1 ZINC000055405063 221069746 /nfs/dbraw/zinc/06/97/46/221069746.db2.gz SKFYSBHTEPIKDZ-UHFFFAOYSA-N 1 2 368.481 2.359 50 0 FEAALO Cn1c(CCC(N)=O)nn(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)c1=S ZINC000057089817 221084064 /nfs/dbraw/zinc/08/40/64/221084064.db2.gz CKEYTMAHFFJHRH-MRXNPFEDSA-N 1 2 371.510 2.478 50 0 FEAALO Cn1c(CCC(N)=O)nn(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)c1=S ZINC000057089817 221084066 /nfs/dbraw/zinc/08/40/66/221084066.db2.gz CKEYTMAHFFJHRH-MRXNPFEDSA-N 1 2 371.510 2.478 50 0 FEAALO O=C(/C=C\c1ccc2c(c1)OCO2)N1CC[NH+](Cc2ccncc2)CC1 ZINC000057291049 221086433 /nfs/dbraw/zinc/08/64/33/221086433.db2.gz RCJOQWVUELZPKL-RQOWECAXSA-N 1 2 351.406 2.168 50 0 FEAALO O=S(=O)(c1cccnc1)N1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000058003769 221097105 /nfs/dbraw/zinc/09/71/05/221097105.db2.gz HGWCUYLCFYIDPS-IBGZPJMESA-N 1 2 357.479 2.466 50 0 FEAALO O=C(c1ccc(OC(F)(F)F)cc1)N1CC[NH+](CCn2cccn2)CC1 ZINC000062022040 221139760 /nfs/dbraw/zinc/13/97/60/221139760.db2.gz GYFYUVLJJLAYLZ-UHFFFAOYSA-N 1 2 368.359 2.240 50 0 FEAALO O=C(C[N@@H+](Cc1ccncc1)C[C@@H]1CCC(=O)N1)NC1CCCCCCC1 ZINC000065407710 221215122 /nfs/dbraw/zinc/21/51/22/221215122.db2.gz UMJMPTXPLMZKLV-IBGZPJMESA-N 1 2 372.513 2.391 50 0 FEAALO O=C(C[N@H+](Cc1ccncc1)C[C@@H]1CCC(=O)N1)NC1CCCCCCC1 ZINC000065407710 221215123 /nfs/dbraw/zinc/21/51/23/221215123.db2.gz UMJMPTXPLMZKLV-IBGZPJMESA-N 1 2 372.513 2.391 50 0 FEAALO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000065427037 221217181 /nfs/dbraw/zinc/21/71/81/221217181.db2.gz SQRZBVGHYBLYAV-SFHVURJKSA-N 1 2 359.393 2.030 50 0 FEAALO C[N@@H+]1CCCn2nc(C(=O)N[C@H](Cn3cccn3)c3ccccc3)cc2C1 ZINC000065424726 221218168 /nfs/dbraw/zinc/21/81/68/221218168.db2.gz VZYNOVRXRNTYLD-LJQANCHMSA-N 1 2 364.453 2.086 50 0 FEAALO C[N@H+]1CCCn2nc(C(=O)N[C@H](Cn3cccn3)c3ccccc3)cc2C1 ZINC000065424726 221218172 /nfs/dbraw/zinc/21/81/72/221218172.db2.gz VZYNOVRXRNTYLD-LJQANCHMSA-N 1 2 364.453 2.086 50 0 FEAALO CCc1nn(C)c(Cl)c1C[N@@H+]1CCCn2nc(C(=O)OC)cc2C1 ZINC000065489244 221224470 /nfs/dbraw/zinc/22/44/70/221224470.db2.gz LYMYTGIATYMLGV-UHFFFAOYSA-N 1 2 351.838 2.025 50 0 FEAALO CCc1nn(C)c(Cl)c1C[N@H+]1CCCn2nc(C(=O)OC)cc2C1 ZINC000065489244 221224473 /nfs/dbraw/zinc/22/44/73/221224473.db2.gz LYMYTGIATYMLGV-UHFFFAOYSA-N 1 2 351.838 2.025 50 0 FEAALO O=C(NCc1cccnc1-n1cc[nH+]c1)c1cnc(-c2cccnc2)nc1 ZINC000067692002 221272258 /nfs/dbraw/zinc/27/22/58/221272258.db2.gz NXGTUSBTGNTNKT-UHFFFAOYSA-N 1 2 357.377 2.049 50 0 FEAALO O[C@H]1CCN(c2cc[nH+]c(N3Cc4cnc(-c5ccccc5)nc4C3)n2)C1 ZINC000067805453 221289055 /nfs/dbraw/zinc/28/90/55/221289055.db2.gz NGNVNYXWMLLZCN-INIZCTEOSA-N 1 2 360.421 2.025 50 0 FEAALO Fc1ccc(-c2cc(N3CC([NH+]4CCOCC4)C3)n3nccc3n2)cc1 ZINC000072422498 221511988 /nfs/dbraw/zinc/51/19/88/221511988.db2.gz YXILWYROEAQDAN-UHFFFAOYSA-N 1 2 353.401 2.056 50 0 FEAALO COc1cccc(C[NH+]2CCN(C(=O)Nc3ccc4n[nH]nc4c3)CC2)c1 ZINC000299780934 533480279 /nfs/dbraw/zinc/48/02/79/533480279.db2.gz BFFKWVUXKZZBHY-UHFFFAOYSA-N 1 2 366.425 2.316 50 0 FEAALO Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1N1CCNC1=O ZINC000082121235 542684650 /nfs/dbraw/zinc/68/46/50/542684650.db2.gz MIZKJIUPEXNTAX-INIZCTEOSA-N 1 2 367.453 2.278 50 0 FEAALO CC(C)Oc1cc(N2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)nc(N)[nH+]1 ZINC000082092891 132194214 /nfs/dbraw/zinc/19/42/14/132194214.db2.gz DCORQGNSMOSZLB-LJQANCHMSA-N 1 2 359.474 2.217 50 0 FEAALO CC(C)Oc1cc(N2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)[nH+]c(N)n1 ZINC000082092891 132194215 /nfs/dbraw/zinc/19/42/15/132194215.db2.gz DCORQGNSMOSZLB-LJQANCHMSA-N 1 2 359.474 2.217 50 0 FEAALO c1cn(Cc2nnc(C3CCN(c4cccnn4)CC3)n2C2CC2)c[nH+]1 ZINC000091998171 132205420 /nfs/dbraw/zinc/20/54/20/132205420.db2.gz HDILUQJLBHHZJK-UHFFFAOYSA-N 1 2 350.430 2.032 50 0 FEAALO COCc1nc(C[NH2+]C2CCN(c3ncnc4sc(C)cc43)CC2)no1 ZINC000096166101 132221714 /nfs/dbraw/zinc/22/17/14/132221714.db2.gz PUWUZSBABDQKRL-UHFFFAOYSA-N 1 2 374.470 2.288 50 0 FEAALO NC(=O)C1CCN(c2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)CC1 ZINC000001251067 132381530 /nfs/dbraw/zinc/38/15/30/132381530.db2.gz QNLXXUDFONLSHX-UHFFFAOYSA-N 1 2 356.817 2.171 50 0 FEAALO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000003351610 132385194 /nfs/dbraw/zinc/38/51/94/132385194.db2.gz XPEIMWFQESQJEV-IAGOWNOFSA-N 1 2 359.857 2.371 50 0 FEAALO Cn1c(Cn2cc[nH+]c2)nnc1C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000091563364 542813595 /nfs/dbraw/zinc/81/35/95/542813595.db2.gz BEPWNVNDLUJWLV-UHFFFAOYSA-N 1 2 368.416 2.219 50 0 FEAALO O=C(CCc1cc2n(n1)CC[N@H+](Cc1cccnc1)C2)NC1CCCC1 ZINC000092028804 542838719 /nfs/dbraw/zinc/83/87/19/542838719.db2.gz IMNAYKSTHMMGDL-UHFFFAOYSA-N 1 2 353.470 2.285 50 0 FEAALO O=C(CCc1cc2n(n1)CC[N@@H+](Cc1cccnc1)C2)NC1CCCC1 ZINC000092028804 542838723 /nfs/dbraw/zinc/83/87/23/542838723.db2.gz IMNAYKSTHMMGDL-UHFFFAOYSA-N 1 2 353.470 2.285 50 0 FEAALO COc1ccc(OC)c(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000052537698 136124471 /nfs/dbraw/zinc/12/44/71/136124471.db2.gz FNBJZOWBNKNWTJ-UHFFFAOYSA-N 1 2 355.438 2.465 50 0 FEAALO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)NC1Cc2ccccc2C1 ZINC000054254494 136125303 /nfs/dbraw/zinc/12/53/03/136125303.db2.gz XPYVTIDFJZQRLB-UHFFFAOYSA-N 1 2 353.441 2.231 50 0 FEAALO Cc1sc2ncnc(N3CC[NH+](CC(=O)NC(C)(C)C)CC3)c2c1C ZINC000057363103 136128821 /nfs/dbraw/zinc/12/88/21/136128821.db2.gz ZQQOIVNDOIKROF-UHFFFAOYSA-N 1 2 361.515 2.345 50 0 FEAALO C[C@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057395559 136129054 /nfs/dbraw/zinc/12/90/54/136129054.db2.gz ORBDQBJPAMRENH-QGZVFWFLSA-N 1 2 366.465 2.223 50 0 FEAALO CCCc1nc(N2CCN(Cc3cnn4cccnc34)CC2)cc(C)[nH+]1 ZINC000065409899 136136258 /nfs/dbraw/zinc/13/62/58/136136258.db2.gz MPQBTULACOKEOP-UHFFFAOYSA-N 1 2 351.458 2.102 50 0 FEAALO COC(=O)c1cc(C)nc(N2CC[NH+](Cc3cc(C(C)C)no3)CC2)n1 ZINC000065488339 136136614 /nfs/dbraw/zinc/13/66/14/136136614.db2.gz SFGQZUWXBQSOMR-UHFFFAOYSA-N 1 2 359.430 2.005 50 0 FEAALO O=C(/C=C/c1cccs1)N1CCN(c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000070641098 136138398 /nfs/dbraw/zinc/13/83/98/136138398.db2.gz NJAYJOLJGWZURF-ZZXKWVIFSA-N 1 2 366.450 2.086 50 0 FEAALO CCCc1nc2c(cnn2C)c(N2CC[NH+](Cc3csc(C)n3)CC2)n1 ZINC000072410607 136145451 /nfs/dbraw/zinc/14/54/51/136145451.db2.gz NEIZZRWFYFRKEO-UHFFFAOYSA-N 1 2 371.514 2.403 50 0 FEAALO Cn1cc[nH+]c1[C@@H](NC(=O)C1CCN(C(=O)C2CCCC2)CC1)C1CC1 ZINC000095361730 542960262 /nfs/dbraw/zinc/96/02/62/542960262.db2.gz XLLCNZQZIXGNJY-KRWDZBQOSA-N 1 2 358.486 2.416 50 0 FEAALO CCCCn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2cnn(CC)c2)C1 ZINC000095384230 542966179 /nfs/dbraw/zinc/96/61/79/542966179.db2.gz QOUGZSVHOQBWBT-HNNXBMFYSA-N 1 2 365.503 2.468 50 0 FEAALO Cc1ncc(S(C)(=O)=O)c(N[C@H](c2[nH+]ccn2C)c2ccccc2)n1 ZINC000095387017 542967310 /nfs/dbraw/zinc/96/73/10/542967310.db2.gz LATIXBXZFUXMBY-HNNXBMFYSA-N 1 2 357.439 2.124 50 0 FEAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)C2CCN(C(=O)N(C)C)CC2)C1 ZINC000095520288 542978852 /nfs/dbraw/zinc/97/88/52/542978852.db2.gz AFGCTMVJUCOMHY-MRXNPFEDSA-N 1 2 361.490 2.003 50 0 FEAALO CC(C)[N@H+](C)Cc1nnnn1CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000095516972 542977632 /nfs/dbraw/zinc/97/76/32/542977632.db2.gz CCOTWIACGVMTAD-HNNXBMFYSA-N 1 2 370.501 2.270 50 0 FEAALO CC(C)[N@@H+](C)Cc1nnnn1CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000095516972 542977636 /nfs/dbraw/zinc/97/76/36/542977636.db2.gz CCOTWIACGVMTAD-HNNXBMFYSA-N 1 2 370.501 2.270 50 0 FEAALO CCN(c1cc[nH+]cc1)S(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000096005501 542987338 /nfs/dbraw/zinc/98/73/38/542987338.db2.gz KPGXKPYGBXYQEL-KRWDZBQOSA-N 1 2 365.499 2.419 50 0 FEAALO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3n[nH]c4c3CCCC4)CC2)cn1 ZINC000109665910 543333124 /nfs/dbraw/zinc/33/31/24/543333124.db2.gz AGQOZCMCFXDXJX-UHFFFAOYSA-N 1 2 370.501 2.243 50 0 FEAALO CCCn1cc(C[N@H+]2CCCN(C(=O)c3n[nH]c4c3CCCC4)CC2)cn1 ZINC000109665910 543333125 /nfs/dbraw/zinc/33/31/25/543333125.db2.gz AGQOZCMCFXDXJX-UHFFFAOYSA-N 1 2 370.501 2.243 50 0 FEAALO O=C(NCC[NH+]1CCOCC1)c1ccc2nc(-c3ccccc3)cn2c1 ZINC000095374491 221878643 /nfs/dbraw/zinc/87/86/43/221878643.db2.gz CONLWJLWFGUFMR-UHFFFAOYSA-N 1 2 350.422 2.063 50 0 FEAALO CCCNC(=O)C[NH+]1CCC(Nc2nc(C)c(C(=O)OCC)s2)CC1 ZINC000095971344 221982860 /nfs/dbraw/zinc/98/28/60/221982860.db2.gz DDEHSYXXPRWTBZ-UHFFFAOYSA-N 1 2 368.503 2.031 50 0 FEAALO CSCCc1nc(C[N@@H+]2CCC[C@@H](O)C2)n(Cc2ccc(C)cc2)n1 ZINC000096151874 222054060 /nfs/dbraw/zinc/05/40/60/222054060.db2.gz TYTGMMCNJCJSHV-QGZVFWFLSA-N 1 2 360.527 2.497 50 0 FEAALO CSCCc1nc(C[N@H+]2CCC[C@@H](O)C2)n(Cc2ccc(C)cc2)n1 ZINC000096151874 222054066 /nfs/dbraw/zinc/05/40/66/222054066.db2.gz TYTGMMCNJCJSHV-QGZVFWFLSA-N 1 2 360.527 2.497 50 0 FEAALO Cc1ccc(-c2nc([C@@H]3[NH2+]CCc4nc[nH]c43)n(CC(F)(F)F)n2)o1 ZINC000096164305 222063328 /nfs/dbraw/zinc/06/33/28/222063328.db2.gz CVDALPDZYJNRKQ-GFCCVEGCSA-N 1 2 352.320 2.367 50 0 FEAALO CC(C)(CNc1ncnc2c1Cc1ccccc1OC2)[NH+]1CCOCC1 ZINC000096163699 222063389 /nfs/dbraw/zinc/06/33/89/222063389.db2.gz ZRFUNICJLGXWCU-UHFFFAOYSA-N 1 2 354.454 2.483 50 0 FEAALO CN(CC[NH+]1CCOCC1)Cc1nc(Cc2ccccc2Cl)no1 ZINC000096416632 222119591 /nfs/dbraw/zinc/11/95/91/222119591.db2.gz GZDJIRMJZYFQOR-UHFFFAOYSA-N 1 2 350.850 2.078 50 0 FEAALO COc1ccccc1Cc1nc([C@H]2CCOC2)n(CCc2c[nH]c[nH+]2)n1 ZINC000097675340 222204649 /nfs/dbraw/zinc/20/46/49/222204649.db2.gz CCQHDXZOKCPPTN-HNNXBMFYSA-N 1 2 353.426 2.347 50 0 FEAALO COc1ccccc1Cc1nc([C@H]2CCOC2)n(CCc2c[nH+]c[nH]2)n1 ZINC000097675340 222204652 /nfs/dbraw/zinc/20/46/52/222204652.db2.gz CCQHDXZOKCPPTN-HNNXBMFYSA-N 1 2 353.426 2.347 50 0 FEAALO O=C(c1cc(-c2ccncc2)[nH]n1)N1CC[NH+](C2CCSCC2)CC1 ZINC000097815104 222214326 /nfs/dbraw/zinc/21/43/26/222214326.db2.gz IWZZNVCVRUSPHQ-UHFFFAOYSA-N 1 2 357.483 2.125 50 0 FEAALO O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000102841975 222310879 /nfs/dbraw/zinc/31/08/79/222310879.db2.gz YSRCFPUWCRPEIK-CALCHBBNSA-N 1 2 366.421 2.376 50 0 FEAALO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Nc1cnn(-c3ncccn3)c1)C2 ZINC000186138605 327948773 /nfs/dbraw/zinc/94/87/73/327948773.db2.gz OJCPTLAPERNBAT-UHFFFAOYSA-N 1 2 366.429 2.109 50 0 FEAALO CC(C)(CNC(=O)CCc1nnc(C2CCCCC2)o1)[NH+]1CCOCC1 ZINC000020586956 519241606 /nfs/dbraw/zinc/24/16/06/519241606.db2.gz IMBACFSGWXOURZ-UHFFFAOYSA-N 1 2 364.490 2.277 50 0 FEAALO CC(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000091494437 519532804 /nfs/dbraw/zinc/53/28/04/519532804.db2.gz MQIPVNTYYMSZPC-MVHVFESUSA-N 1 2 355.482 2.103 50 0 FEAALO CCOC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2C(C)C)CC1 ZINC000020807160 520953979 /nfs/dbraw/zinc/95/39/79/520953979.db2.gz XKPQBHXMSIDCFI-INIZCTEOSA-N 1 2 350.459 2.324 50 0 FEAALO COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(C(C)C)[nH]c2=O)C1 ZINC000091304580 522139377 /nfs/dbraw/zinc/13/93/77/522139377.db2.gz HXHBVCHMIGPDNL-HNNXBMFYSA-N 1 2 372.469 2.361 50 0 FEAALO C[C@@H](CNC(=O)c1cccnc1)Oc1cccc(C[NH+]2CCOCC2)c1 ZINC000020166158 524725991 /nfs/dbraw/zinc/72/59/91/524725991.db2.gz IVGDVIDLPSXSIM-INIZCTEOSA-N 1 2 355.438 2.111 50 0 FEAALO C[C@H](NC(=O)c1cnc(COc2ccc(F)cc2)[nH]c1=O)c1[nH]cc[nH+]1 ZINC000091694757 525260556 /nfs/dbraw/zinc/26/05/56/525260556.db2.gz JKTGXCZRCLIZMR-JTQLQIEISA-N 1 2 357.345 2.114 50 0 FEAALO CSCc1noc(C[NH+]2CCC3(CC(=O)N(CC(C)C)C3)CC2)n1 ZINC000091288996 525770894 /nfs/dbraw/zinc/77/08/94/525770894.db2.gz KQOMMPBNZOSUGH-UHFFFAOYSA-N 1 2 352.504 2.403 50 0 FEAALO C[C@H](C(=O)NCCC[NH+]1CCOCC1)n1cccc1C(=O)c1ccccc1 ZINC000020414883 526046251 /nfs/dbraw/zinc/04/62/51/526046251.db2.gz YZOVCXXKYVNIML-QGZVFWFLSA-N 1 2 369.465 2.119 50 0 FEAALO O=C(CCn1cccn1)N1CCC[C@@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000091616915 526674367 /nfs/dbraw/zinc/67/43/67/526674367.db2.gz MNVPHBWBELQWIB-GOSISDBHSA-N 1 2 364.453 2.319 50 0 FEAALO O=C(NCc1cccs1)N1CC[NH+](C[C@@H](O)c2cccs2)CC1 ZINC000085466951 526782374 /nfs/dbraw/zinc/78/23/74/526782374.db2.gz BJMVPUBCUATUOU-CQSZACIVSA-N 1 2 351.497 2.370 50 0 FEAALO O=C(N1CCCC1)N1CCC(c2nnc(Cn3cc[nH+]c3)n2C2CC2)CC1 ZINC000091586670 527437454 /nfs/dbraw/zinc/43/74/54/527437454.db2.gz GQQACZDYHMZPKI-UHFFFAOYSA-N 1 2 369.473 2.253 50 0 FEAALO O=C(NC(=S)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1cccnc1 ZINC000020102345 527458143 /nfs/dbraw/zinc/45/81/43/527458143.db2.gz XBITVTVVSRRDDS-VMPITWQZSA-N 1 2 366.490 2.427 50 0 FEAALO O=c1cc(CO)oc([C@@H](Nc2cccc[nH+]2)c2ccc3c(c2)OCO3)c1O ZINC000020507208 527479182 /nfs/dbraw/zinc/47/91/82/527479182.db2.gz BLCGMDNJJCBDCD-KRWDZBQOSA-N 1 2 368.345 2.163 50 0 FEAALO CCc1cnc(C)nc1N1CCC(c2nnc(C[NH+]3CCCC3)n2C)CC1 ZINC000077379607 536019503 /nfs/dbraw/zinc/01/95/03/536019503.db2.gz 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ZINC000534662784 562539578 /nfs/dbraw/zinc/53/95/78/562539578.db2.gz YTGJABIADYEKHR-CQSZACIVSA-N 1 2 366.849 2.104 50 0 FEAALO COc1ccc(CC(=O)N2CC[NH+](Cc3ncccc3C)CC2)c(OC)c1 ZINC000222248475 568508587 /nfs/dbraw/zinc/50/85/87/568508587.db2.gz STYYOOHOQFJZFH-UHFFFAOYSA-N 1 2 369.465 2.294 50 0 FEAALO COC(=O)c1ccc(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000048008626 570933995 /nfs/dbraw/zinc/93/39/95/570933995.db2.gz KMTMSNBSUPZASL-UHFFFAOYSA-N 1 2 354.410 2.218 50 0 FEAALO CC(C)(CNC(=O)COc1cccc2c1OC(C)(C)C2)[NH+]1CCOCC1 ZINC000049984794 570966789 /nfs/dbraw/zinc/96/67/89/570966789.db2.gz VKYBOXLXPFPPGJ-UHFFFAOYSA-N 1 2 362.470 2.006 50 0 FEAALO Cc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1ccsc1 ZINC000426361820 571215778 /nfs/dbraw/zinc/21/57/78/571215778.db2.gz REAVLCRMCNJIFG-SFHVURJKSA-N 1 2 371.506 2.406 50 0 FEAALO Cc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1ccsc1 ZINC000426361820 571215779 /nfs/dbraw/zinc/21/57/79/571215779.db2.gz REAVLCRMCNJIFG-SFHVURJKSA-N 1 2 371.506 2.406 50 0 FEAALO CCc1nc(S(=O)(=O)N2CC[N@H+](C)Cc3ccccc32)cn1CC1CC1 ZINC000585094230 571320427 /nfs/dbraw/zinc/32/04/27/571320427.db2.gz SMIGUXWZWQPJHZ-UHFFFAOYSA-N 1 2 374.510 2.496 50 0 FEAALO CCc1nc(S(=O)(=O)N2CC[N@@H+](C)Cc3ccccc32)cn1CC1CC1 ZINC000585094230 571320428 /nfs/dbraw/zinc/32/04/28/571320428.db2.gz SMIGUXWZWQPJHZ-UHFFFAOYSA-N 1 2 374.510 2.496 50 0 FEAALO C[C@H]1C[C@H](C)CN(C(=O)CCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000004721848 539391222 /nfs/dbraw/zinc/39/12/22/539391222.db2.gz JLCANQGLAATBTK-ROUUACIJSA-N 1 2 372.513 2.405 50 0 FEAALO O=Cc1c(-[n+]2ccc(C(=O)c3ccccc3)cc2)[nH]c(=O)n1-c1ccccc1 ZINC000005768673 539416482 /nfs/dbraw/zinc/41/64/82/539416482.db2.gz HMWIPMCHSUTLCJ-UHFFFAOYSA-O 1 2 370.388 2.486 50 0 FEAALO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1ccc(-n2cccn2)cc1 ZINC000008981794 539495969 /nfs/dbraw/zinc/49/59/69/539495969.db2.gz KSXAEVOTZZBUCF-UHFFFAOYSA-N 1 2 363.421 2.034 50 0 FEAALO Cn1nc(C(=O)Nc2nc(C[NH+]3CCCC3)cs2)c2ccccc2c1=O ZINC000009217502 539498657 /nfs/dbraw/zinc/49/86/57/539498657.db2.gz GRYVWCAIHGRFDO-UHFFFAOYSA-N 1 2 369.450 2.238 50 0 FEAALO Cn1cc[nH+]c1[C@@H](NC1=NS(=O)(=O)c2ccccc21)c1cccc(F)c1 ZINC000009313979 539500597 /nfs/dbraw/zinc/50/05/97/539500597.db2.gz VVMVHCXYRFETFL-INIZCTEOSA-N 1 2 370.409 2.387 50 0 FEAALO Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000010355909 539516408 /nfs/dbraw/zinc/51/64/08/539516408.db2.gz ZZMFZXYGYPXUHX-UHFFFAOYSA-N 1 2 357.435 2.019 50 0 FEAALO Cc1cccn2cc(CN3C(=O)N[C@@]4(CCOc5ccccc54)C3=O)[nH+]c12 ZINC000010864418 539520895 /nfs/dbraw/zinc/52/08/95/539520895.db2.gz YFMBTXKDDOLLAN-HXUWFJFHSA-N 1 2 362.389 2.373 50 0 FEAALO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2ccc(NC(=O)[C@@H]3CCCO3)cc2C1 ZINC000011935950 539539445 /nfs/dbraw/zinc/53/94/45/539539445.db2.gz REXBGNLATQLTSB-QWNKOJSDSA-N 1 2 366.421 2.125 50 0 FEAALO Cc1ccnc(SCC(=O)N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC000222845629 222754210 /nfs/dbraw/zinc/75/42/10/222754210.db2.gz TUDDRQBRYXXYKV-UHFFFAOYSA-N 1 2 372.494 2.100 50 0 FEAALO O=C(C[C@H]1Sc2ccccc2NC1=O)NCCc1cn2ccccc2[nH+]1 ZINC000012507661 539562527 /nfs/dbraw/zinc/56/25/27/539562527.db2.gz LFTMWUQHQGRUSC-MRXNPFEDSA-N 1 2 366.446 2.496 50 0 FEAALO O=C(CN1CC[NH+](Cc2ccccn2)CC1)Nc1ccc2c(c1)CCC2 ZINC000022943288 539703216 /nfs/dbraw/zinc/70/32/16/539703216.db2.gz HVTQNEMTZFSRNP-UHFFFAOYSA-N 1 2 350.466 2.327 50 0 FEAALO O=C(CN1CC[NH+](Cc2ccco2)CC1)Nc1ccc(F)c(F)c1F ZINC000023249257 539710354 /nfs/dbraw/zinc/71/03/54/539710354.db2.gz UZWQXBASBBHUIG-UHFFFAOYSA-N 1 2 353.344 2.453 50 0 FEAALO O=C(COc1ccccc1F)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000024335933 539729352 /nfs/dbraw/zinc/72/93/52/539729352.db2.gz FIPJPPRCFDNINR-SFHVURJKSA-N 1 2 358.413 2.394 50 0 FEAALO O=C(Cn1c(=O)cnc2ccccc21)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000025173459 539750449 /nfs/dbraw/zinc/75/04/49/539750449.db2.gz YHXYKSDDXMPVDQ-UHFFFAOYSA-N 1 2 359.389 2.280 50 0 FEAALO C[NH+](C)[C@@H](CNC(=O)c1cccc(S(C)(=O)=O)c1)c1ccsc1 ZINC000025329506 539755711 /nfs/dbraw/zinc/75/57/11/539755711.db2.gz NBROCUOOUPGIKV-HNNXBMFYSA-N 1 2 352.481 2.184 50 0 FEAALO CC(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCCC2)[NH+]1CCOCC1 ZINC000025373894 539757573 /nfs/dbraw/zinc/75/75/73/539757573.db2.gz PZHXGOGRYVMOPZ-LJQANCHMSA-N 1 2 366.527 2.201 50 0 FEAALO COC(=O)C1=C(C[NH+]2CCC(C)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000026455880 539787456 /nfs/dbraw/zinc/78/74/56/539787456.db2.gz DLWADIYWRGQCNA-GOSISDBHSA-N 1 2 373.453 2.208 50 0 FEAALO CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1cccc[nH+]1 ZINC000000968330 219348094 /nfs/dbraw/zinc/34/80/94/219348094.db2.gz YASAKCUCGLMORW-OAHLLOKOSA-N 1 2 357.435 2.491 50 0 fda FEAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccccc1 ZINC000029071033 539842244 /nfs/dbraw/zinc/84/22/44/539842244.db2.gz BMXPDXYLVKAIIB-GOSISDBHSA-N 1 2 362.389 2.270 50 0 FEAALO Cc1nc2ccccc2nc1N1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000030003834 539872447 /nfs/dbraw/zinc/87/24/47/539872447.db2.gz WFPOYVNHYWTUAE-IBGZPJMESA-N 1 2 361.449 2.287 50 0 FEAALO C[C@H]1c2[nH+]c(N)nc(N)c2CN1C(=O)COc1ccc(Cl)cc1Cl ZINC000032236736 539931281 /nfs/dbraw/zinc/93/12/81/539931281.db2.gz SUEPAFUFSDNKTL-ZETCQYMHSA-N 1 2 368.224 2.430 50 0 FEAALO O=C(NCCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC1CCCCC1 ZINC000032899973 539957786 /nfs/dbraw/zinc/95/77/86/539957786.db2.gz YSLKLACQBNFEOP-UHFFFAOYSA-N 1 2 373.501 2.142 50 0 FEAALO COC(=O)CNC(=O)c1ccccc1OCc1cn2cccc(C)c2[nH+]1 ZINC000032907892 539958680 /nfs/dbraw/zinc/95/86/80/539958680.db2.gz GHFAIMKSNXJJSE-UHFFFAOYSA-N 1 2 353.378 2.125 50 0 FEAALO O=C(Cn1c(=O)oc2ccccc21)NCc1ccccc1Cn1cc[nH+]c1 ZINC000032860018 539956137 /nfs/dbraw/zinc/95/61/37/539956137.db2.gz KQYVVRUZHLIGOB-UHFFFAOYSA-N 1 2 362.389 2.156 50 0 FEAALO Cc1ccc(C(C)(C)CC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)cc1 ZINC000035421793 539982036 /nfs/dbraw/zinc/98/20/36/539982036.db2.gz WXJPKAJJWPTRCX-UHFFFAOYSA-N 1 2 371.525 2.429 50 0 FEAALO O=C(NCC[NH+]1CCOCC1)c1cc2occc2n1Cc1ccccc1 ZINC000036359774 539989007 /nfs/dbraw/zinc/98/90/07/539989007.db2.gz OPQXOUUBBKGJEA-UHFFFAOYSA-N 1 2 353.422 2.345 50 0 FEAALO O=C(NC1CC1)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036252755 539988683 /nfs/dbraw/zinc/98/86/83/539988683.db2.gz WSHWZASDDDDLJT-LJQANCHMSA-N 1 2 373.472 2.421 50 0 FEAALO COC(=O)c1sc(NCc2ccc[nH+]c2N2CCOCC2)nc1Cl ZINC000040149472 540008161 /nfs/dbraw/zinc/00/81/61/540008161.db2.gz QKWVTCIRLVZHLG-UHFFFAOYSA-N 1 2 368.846 2.427 50 0 FEAALO Cc1cc(C)nc(N2CCN(c3nc(N(C)C)c4ccccc4[nH+]3)CC2)n1 ZINC000041147175 540013391 /nfs/dbraw/zinc/01/33/91/540013391.db2.gz YHCYRXREJHIOOD-UHFFFAOYSA-N 1 2 363.469 2.429 50 0 FEAALO Cn1c(C[NH+](C)C)nnc1[C@H]1C[C@H](NC(=O)CC2Cc3ccccc3C2)C1 ZINC000243901019 222923317 /nfs/dbraw/zinc/92/33/17/222923317.db2.gz AYNJCWPCEHTIKD-IYARVYRRSA-N 1 2 367.497 2.044 50 0 FEAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)NCCc1ccc(F)cc1 ZINC000041624491 540027376 /nfs/dbraw/zinc/02/73/76/540027376.db2.gz BKILBIOFQJOBOM-NJAFHUGGSA-N 1 2 362.445 2.291 50 0 FEAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)NCCc1ccc(F)cc1 ZINC000041624491 540027378 /nfs/dbraw/zinc/02/73/78/540027378.db2.gz BKILBIOFQJOBOM-NJAFHUGGSA-N 1 2 362.445 2.291 50 0 FEAALO Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000043948660 540115948 /nfs/dbraw/zinc/11/59/48/540115948.db2.gz LFTAFURTKCJYLZ-LPHOPBHVSA-N 1 2 372.494 2.305 50 0 FEAALO O=C(C1CC1)N1CC[NH+](C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000048230042 540353244 /nfs/dbraw/zinc/35/32/44/540353244.db2.gz IUUBYBHCQKFSMS-IBGZPJMESA-N 1 2 354.450 2.134 50 0 FEAALO Cc1cc(C)n(-c2cc[nH+]c(N3CCC(C(=O)N4CCCC4)CC3)n2)n1 ZINC000049411621 540389562 /nfs/dbraw/zinc/38/95/62/540389562.db2.gz CFALHJJPWYNTPD-UHFFFAOYSA-N 1 2 354.458 2.118 50 0 FEAALO COc1c(C)c[nH+]c(CNC(=O)c2ccc(N3CCOCC3)cc2)c1C ZINC000050447780 540406727 /nfs/dbraw/zinc/40/67/27/540406727.db2.gz MJNASBHGGBPTKA-UHFFFAOYSA-N 1 2 355.438 2.474 50 0 FEAALO Cc1cc(N2CCN(C(=O)NCCc3nccs3)CC2)nc(C(C)C)[nH+]1 ZINC000051339673 540430994 /nfs/dbraw/zinc/43/09/94/540430994.db2.gz QMZJQDLEPDDFBL-UHFFFAOYSA-N 1 2 374.514 2.439 50 0 FEAALO C[C@H](Cc1cnccn1)NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000299771093 223088673 /nfs/dbraw/zinc/08/86/73/223088673.db2.gz SCNLGGIHDUOBPF-OAHLLOKOSA-N 1 2 355.442 2.062 50 0 FEAALO O=C(c1cccs1)N1CC[NH+](Cc2ccc(=O)n(CC3CC3)c2)CC1 ZINC000065285934 541232782 /nfs/dbraw/zinc/23/27/82/541232782.db2.gz YLXGKEWJYHSMDI-UHFFFAOYSA-N 1 2 357.479 2.278 50 0 FEAALO Cc1cc(N)nc(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)[nH+]1 ZINC000012534354 220003720 /nfs/dbraw/zinc/00/37/20/220003720.db2.gz VSEIPHDSAMNSOZ-NSHDSACASA-N 1 2 357.439 2.223 50 0 FEAALO O=C(NCCc1c[nH+]c[nH]1)c1cn(Cc2ccccc2C(F)(F)F)nn1 ZINC000072142941 541787514 /nfs/dbraw/zinc/78/75/14/541787514.db2.gz UJGBONYHTHEDLB-UHFFFAOYSA-N 1 2 364.331 2.041 50 0 FEAALO O=C(NCCc1c[nH]c[nH+]1)c1cn(Cc2ccccc2C(F)(F)F)nn1 ZINC000072142941 541787518 /nfs/dbraw/zinc/78/75/18/541787518.db2.gz UJGBONYHTHEDLB-UHFFFAOYSA-N 1 2 364.331 2.041 50 0 FEAALO Cc1ccnn1CC(=O)N1CCC[N@H+](Cc2ncc(C(C)(C)C)o2)CC1 ZINC000072254585 541796398 /nfs/dbraw/zinc/79/63/98/541796398.db2.gz ACGIECBUGHIPNU-UHFFFAOYSA-N 1 2 359.474 2.212 50 0 FEAALO Cc1ccnn1CC(=O)N1CCC[N@@H+](Cc2ncc(C(C)(C)C)o2)CC1 ZINC000072254585 541796403 /nfs/dbraw/zinc/79/64/03/541796403.db2.gz ACGIECBUGHIPNU-UHFFFAOYSA-N 1 2 359.474 2.212 50 0 FEAALO C[C@@H]1C[NH+]=C(N2CCN(C(=O)Cc3ccc(OC(F)F)cc3)CC2)S1 ZINC000072298017 541797641 /nfs/dbraw/zinc/79/76/41/541797641.db2.gz NTEBSVDXMWHNKF-GFCCVEGCSA-N 1 2 369.437 2.466 50 0 FEAALO CC(=O)c1ccc(N2CCCn3nc(C[NH+]4CCSCC4)cc3C2)nc1 ZINC000072407286 541805967 /nfs/dbraw/zinc/80/59/67/541805967.db2.gz UBHVEFYOMFRKIX-UHFFFAOYSA-N 1 2 371.510 2.440 50 0 FEAALO O=C(C[C@H]1COCC[N@@H+]1Cc1ccc2nsnc2c1)NC1CC=CC1 ZINC000072410219 541807443 /nfs/dbraw/zinc/80/74/43/541807443.db2.gz MGHRFFXWGQBRAN-HNNXBMFYSA-N 1 2 358.467 2.117 50 0 FEAALO O=C(C[C@H]1COCC[N@H+]1Cc1ccc2nsnc2c1)NC1CC=CC1 ZINC000072410219 541807448 /nfs/dbraw/zinc/80/74/48/541807448.db2.gz MGHRFFXWGQBRAN-HNNXBMFYSA-N 1 2 358.467 2.117 50 0 FEAALO COc1cccc2c1NC(=O)C[C@@H]2C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000072435182 541813356 /nfs/dbraw/zinc/81/33/56/541813356.db2.gz JHJRHLCRDTVUAY-AWEZNQCLSA-N 1 2 354.410 2.250 50 0 FEAALO COc1cc(SC)c(OC)cc1C[N@@H+]1CCOC[C@H]1CC(=O)N(C)C ZINC000072458901 541816570 /nfs/dbraw/zinc/81/65/70/541816570.db2.gz LLHFSPGIOQMCJL-CQSZACIVSA-N 1 2 368.499 2.105 50 0 FEAALO COc1cc(SC)c(OC)cc1C[N@H+]1CCOC[C@H]1CC(=O)N(C)C ZINC000072458901 541816572 /nfs/dbraw/zinc/81/65/72/541816572.db2.gz LLHFSPGIOQMCJL-CQSZACIVSA-N 1 2 368.499 2.105 50 0 FEAALO Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCCN(C(=O)c2cc[nH]c2)C1 ZINC000072479331 541821425 /nfs/dbraw/zinc/82/14/25/541821425.db2.gz QZZGZHIQOPKSDS-INIZCTEOSA-N 1 2 356.474 2.149 50 0 FEAALO CS(=O)(=O)NC1CC[NH+](Cc2cc3ccccc3nc2Cl)CC1 ZINC000014067248 220103861 /nfs/dbraw/zinc/10/38/61/220103861.db2.gz ZPFMSHSOASJXKZ-UHFFFAOYSA-N 1 2 353.875 2.402 50 0 FEAALO O=C(NCC[NH+]1CCOCC1)c1c2c(sc1-n1cccc1)CCCC2 ZINC000014189990 220114724 /nfs/dbraw/zinc/11/47/24/220114724.db2.gz WREQWUFYQAGDNE-UHFFFAOYSA-N 1 2 359.495 2.480 50 0 FEAALO CCC[NH+]1CCN(C(=O)c2n[nH]c3c2CCc2cc(OC)ccc2-3)CC1 ZINC000015772845 220164050 /nfs/dbraw/zinc/16/40/50/220164050.db2.gz FNGWNSPRHYXYLO-UHFFFAOYSA-N 1 2 354.454 2.352 50 0 FEAALO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000016446186 220185678 /nfs/dbraw/zinc/18/56/78/220185678.db2.gz HUKKXVVZZYRRTO-SNVBAGLBSA-N 1 2 367.471 2.003 50 0 FEAALO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000016446186 220185682 /nfs/dbraw/zinc/18/56/82/220185682.db2.gz HUKKXVVZZYRRTO-SNVBAGLBSA-N 1 2 367.471 2.003 50 0 FEAALO Cc1cc(N)nc(SCc2nc(N)nc(Nc3ccc(F)cc3)n2)[nH+]1 ZINC000016664573 220189591 /nfs/dbraw/zinc/18/95/91/220189591.db2.gz SEBPPTSACUWAFP-UHFFFAOYSA-N 1 2 358.406 2.309 50 0 FEAALO COc1cc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1O ZINC000019358968 220252620 /nfs/dbraw/zinc/25/26/20/220252620.db2.gz FOTMTEDXNFEPPJ-UHFFFAOYSA-N 1 2 356.422 2.447 50 0 FEAALO COc1cc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)ccc1O ZINC000019358968 220252627 /nfs/dbraw/zinc/25/26/27/220252627.db2.gz FOTMTEDXNFEPPJ-UHFFFAOYSA-N 1 2 356.422 2.447 50 0 FEAALO Cc1n[nH]c(CCC(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1C ZINC000077298269 542363670 /nfs/dbraw/zinc/36/36/70/542363670.db2.gz FFIJAHTWHOFZBR-UHFFFAOYSA-N 1 2 356.470 2.182 50 0 FEAALO CC(=O)c1cc(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3F)C2)[nH]n1 ZINC000019720653 220291154 /nfs/dbraw/zinc/29/11/54/220291154.db2.gz QSOJCKHUJXJWID-HNNXBMFYSA-N 1 2 358.417 2.488 50 0 FEAALO CC(=O)c1cc(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)[nH]n1 ZINC000019720653 220291157 /nfs/dbraw/zinc/29/11/57/220291157.db2.gz QSOJCKHUJXJWID-HNNXBMFYSA-N 1 2 358.417 2.488 50 0 FEAALO CCOc1cccc(C(=O)N2CCC(c3nnc(C[NH+](C)C)n3C)CC2)c1 ZINC000077407978 542379060 /nfs/dbraw/zinc/37/90/60/542379060.db2.gz DICKWOVAHFJACP-UHFFFAOYSA-N 1 2 371.485 2.295 50 0 FEAALO Cn1c(C[NH+](C)C)nnc1[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 ZINC000077407468 542379582 /nfs/dbraw/zinc/37/95/82/542379582.db2.gz VUZOEVROZZLBGU-HNNXBMFYSA-N 1 2 366.469 2.378 50 0 FEAALO CCn1c(C[NH+](C)C)nnc1C1CCN(C(=O)c2cc(C)ccc2O)CC1 ZINC000077487238 542388152 /nfs/dbraw/zinc/38/81/52/542388152.db2.gz QQTJAVZMPDMCBL-UHFFFAOYSA-N 1 2 371.485 2.393 50 0 FEAALO O=C(c1cccc(N2CCNC2=O)c1)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000077505051 542389757 /nfs/dbraw/zinc/38/97/57/542389757.db2.gz JJMQBKAUVMEUKG-KRWDZBQOSA-N 1 2 367.453 2.498 50 0 FEAALO CC(C)n1cc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cn1 ZINC000077541963 542394987 /nfs/dbraw/zinc/39/49/87/542394987.db2.gz VPOVUILPQOVYEO-UHFFFAOYSA-N 1 2 356.426 2.151 50 0 FEAALO O=C(C[NH+]1CCN(Cc2csc(-c3ccsc3)n2)CC1)NC1CC1 ZINC000022801442 220399328 /nfs/dbraw/zinc/39/93/28/220399328.db2.gz YMYDUOYSBLRHRQ-UHFFFAOYSA-N 1 2 362.524 2.268 50 0 FEAALO Cn1cc[nH+]c1CN(C(=O)C[C@H]1Sc2ccccc2NC1=O)C1CC1 ZINC000048362963 221011340 /nfs/dbraw/zinc/01/13/40/221011340.db2.gz UHLJYKRTYCEQID-OAHLLOKOSA-N 1 2 356.451 2.414 50 0 FEAALO Cc1cc(NC(=O)C[NH+]2CCC(c3nnc(-c4ccco4)o3)CC2)no1 ZINC000049372040 221021885 /nfs/dbraw/zinc/02/18/85/221021885.db2.gz OOZNDCLAQQUMNJ-UHFFFAOYSA-N 1 2 357.370 2.444 50 0 FEAALO CC[N@H+](Cc1nc(COC)no1)Cc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000055099798 221059131 /nfs/dbraw/zinc/05/91/31/221059131.db2.gz FPVJNRHHXHKNAB-UHFFFAOYSA-N 1 2 371.441 2.036 50 0 FEAALO CC[N@@H+](Cc1nc(COC)no1)Cc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000055099798 221059135 /nfs/dbraw/zinc/05/91/35/221059135.db2.gz FPVJNRHHXHKNAB-UHFFFAOYSA-N 1 2 371.441 2.036 50 0 FEAALO O=C(C[NH+]1CCN(CCOc2ccccc2Cl)CC1)N1CCCCC1 ZINC000053430099 221045632 /nfs/dbraw/zinc/04/56/32/221045632.db2.gz BPIPFBVAYULDRY-UHFFFAOYSA-N 1 2 365.905 2.349 50 0 FEAALO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)C1 ZINC000054274431 221052117 /nfs/dbraw/zinc/05/21/17/221052117.db2.gz UTJOECJLQARVSW-IUODEOHRSA-N 1 2 364.829 2.247 50 0 FEAALO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)C1 ZINC000054274431 221052119 /nfs/dbraw/zinc/05/21/19/221052119.db2.gz UTJOECJLQARVSW-IUODEOHRSA-N 1 2 364.829 2.247 50 0 FEAALO Cc1[nH+]c2ccccc2n1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000057911690 221095484 /nfs/dbraw/zinc/09/54/84/221095484.db2.gz HLQMLIBSSJCGJG-UHFFFAOYSA-N 1 2 358.348 2.378 50 0 FEAALO CN(C)C(=O)CN1CC[NH+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000058266802 221112706 /nfs/dbraw/zinc/11/27/06/221112706.db2.gz WDQCZQTUONWNJC-UHFFFAOYSA-N 1 2 354.454 2.080 50 0 FEAALO CN(C)C(=O)C[NH+]1CCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000058266802 221112709 /nfs/dbraw/zinc/11/27/09/221112709.db2.gz WDQCZQTUONWNJC-UHFFFAOYSA-N 1 2 354.454 2.080 50 0 FEAALO Cc1nnc(NC(=O)Nc2cnn(Cc3cn4ccccc4[nH+]3)c2)s1 ZINC000058299475 221113562 /nfs/dbraw/zinc/11/35/62/221113562.db2.gz MCNOELABNVUXQF-UHFFFAOYSA-N 1 2 354.399 2.383 50 0 FEAALO O=C(c1cccc(Br)c1)N1CC[NH+](CCn2cccn2)CC1 ZINC000062021974 221139676 /nfs/dbraw/zinc/13/96/76/221139676.db2.gz KCZOCEXXJFQLCE-UHFFFAOYSA-N 1 2 363.259 2.104 50 0 FEAALO Cc1c[nH+]c(N2CC=C(n3c4ccccc4[nH]c3=O)CC2)nc1N(C)C ZINC000065375166 221206524 /nfs/dbraw/zinc/20/65/24/221206524.db2.gz SPDJSUFSTSKUKC-UHFFFAOYSA-N 1 2 350.426 2.245 50 0 FEAALO CCCc1ccc(C[NH+]2CCN(c3cncc(C(=O)N(C)C)n3)CC2)o1 ZINC000065375731 221206547 /nfs/dbraw/zinc/20/65/47/221206547.db2.gz LKDDVYOWRIDUSS-UHFFFAOYSA-N 1 2 357.458 2.046 50 0 FEAALO COc1cc2c(cc1CNC(=O)c1cc3n(n1)CCC[N@H+](C)C3)CCC2 ZINC000065460924 221221336 /nfs/dbraw/zinc/22/13/36/221221336.db2.gz DGXZCDFFITXRAU-UHFFFAOYSA-N 1 2 354.454 2.146 50 0 FEAALO COc1cc2c(cc1CNC(=O)c1cc3n(n1)CCC[N@@H+](C)C3)CCC2 ZINC000065460924 221221340 /nfs/dbraw/zinc/22/13/40/221221340.db2.gz DGXZCDFFITXRAU-UHFFFAOYSA-N 1 2 354.454 2.146 50 0 FEAALO Cc1cccc(NC(=O)N2CCN(c3cc(-n4cc[nH+]c4)ncn3)CC2)c1 ZINC000067621438 221263893 /nfs/dbraw/zinc/26/38/93/221263893.db2.gz WBSZWEILRXYJRN-UHFFFAOYSA-N 1 2 363.425 2.325 50 0 FEAALO CN(Cc1[nH]cc[nH+]1)C(=O)c1coc(CN2CCc3ccccc3C2)n1 ZINC000067878432 221299580 /nfs/dbraw/zinc/29/95/80/221299580.db2.gz 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Cc1nc(C[N@H+]2CC[C@@H](NC(=O)c3ccc4cc[nH]c4c3)[C@H](O)C2)cs1 ZINC000426700092 559740560 /nfs/dbraw/zinc/74/05/60/559740560.db2.gz SVQOLXZMPXUTHG-SJLPKXTDSA-N 1 2 370.478 2.298 50 0 FEAALO CC(C)c1noc(CCCC(=O)N2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000046742491 570860847 /nfs/dbraw/zinc/86/08/47/570860847.db2.gz STVUOOLXKNRVGY-UHFFFAOYSA-N 1 2 357.458 2.255 50 0 FEAALO O=C(CC[NH+]1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000049718360 570965367 /nfs/dbraw/zinc/96/53/67/570965367.db2.gz JMTFHJUXCVNLSF-UHFFFAOYSA-N 1 2 366.417 2.446 50 0 FEAALO CNc1cc(C)[nH+]c(-c2cccc(C(=O)N(C)Cc3c[nH]nc3C)c2)n1 ZINC000426395412 571129785 /nfs/dbraw/zinc/12/97/85/571129785.db2.gz RBTHXLAYTSLZDQ-UHFFFAOYSA-N 1 2 350.426 2.797 50 0 FEAALO CC(C)(C)c1cc(C[N@@H+]2CC[C@@H](NC(=O)c3ccccc3)[C@H](O)C2)[nH]n1 ZINC000426421214 571223089 /nfs/dbraw/zinc/22/30/89/571223089.db2.gz PTWMYJNDSLSKPS-IAGOWNOFSA-N 1 2 356.470 2.072 50 0 FEAALO CC(C)(C)c1cc(C[N@H+]2CC[C@@H](NC(=O)c3ccccc3)[C@H](O)C2)[nH]n1 ZINC000426421214 571223090 /nfs/dbraw/zinc/22/30/90/571223090.db2.gz PTWMYJNDSLSKPS-IAGOWNOFSA-N 1 2 356.470 2.072 50 0 FEAALO CC(C)Cn1c[nH+]cc1CNC(=O)c1cccc(-c2cncc(=O)[nH]2)c1 ZINC000584888642 571314225 /nfs/dbraw/zinc/31/42/25/571314225.db2.gz NCRQBCYPFJRGIA-UHFFFAOYSA-N 1 2 351.410 2.219 50 0 FEAALO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC2(COC(=O)O2)CC1)c1ccccc1 ZINC000670448728 571351636 /nfs/dbraw/zinc/35/16/36/571351636.db2.gz JCOOIRARKKYKLF-HNNXBMFYSA-N 1 2 370.409 2.221 50 0 FEAALO C[NH+]1CCN(C[C@H]2CCCN(C(=O)C3(c4ccccc4F)CC3)C2)CC1 ZINC000670461989 571357085 /nfs/dbraw/zinc/35/70/85/571357085.db2.gz KKYOSBDCWFFCDG-QGZVFWFLSA-N 1 2 359.489 2.343 50 0 FEAALO Cc1ccn2cc(CNC(=O)C[N@@H+]3CCOc4ccccc4C3)nc2c1 ZINC000670469565 571359641 /nfs/dbraw/zinc/35/96/41/571359641.db2.gz GQLBSJNGQFZCPJ-UHFFFAOYSA-N 1 2 350.422 2.154 50 0 FEAALO Cc1ccn2cc(CNC(=O)C[N@H+]3CCOc4ccccc4C3)nc2c1 ZINC000670469565 571359642 /nfs/dbraw/zinc/35/96/42/571359642.db2.gz GQLBSJNGQFZCPJ-UHFFFAOYSA-N 1 2 350.422 2.154 50 0 FEAALO CCCS(=O)(=O)c1ncc(C[N@H+](C)CC(C)C)n1C[C@H]1CCCO1 ZINC000012315315 670001611 /nfs/dbraw/zinc/00/16/11/670001611.db2.gz ZSKMGFNCFRUVAY-MRXNPFEDSA-N 1 2 357.520 2.334 50 0 FEAALO CCCS(=O)(=O)c1ncc(C[N@@H+](C)CC(C)C)n1C[C@H]1CCCO1 ZINC000012315315 670001614 /nfs/dbraw/zinc/00/16/14/670001614.db2.gz ZSKMGFNCFRUVAY-MRXNPFEDSA-N 1 2 357.520 2.334 50 0 FEAALO Cc1cccn2cc(CN3C(=O)N[C@]4(CCOc5ccccc54)C3=O)[nH+]c12 ZINC000010864415 539520965 /nfs/dbraw/zinc/52/09/65/539520965.db2.gz YFMBTXKDDOLLAN-FQEVSTJZSA-N 1 2 362.389 2.373 50 0 FEAALO COc1ccccc1-n1c(=O)[nH]c(=O)c2c1NC[N@@H+](C1CCCCC1)C2 ZINC000012371799 539557268 /nfs/dbraw/zinc/55/72/68/539557268.db2.gz CBOUGJRTSWHQAN-UHFFFAOYSA-N 1 2 356.426 2.052 50 0 FEAALO COc1ccccc1-n1c(=O)[nH]c(=O)c2c1NC[N@H+](C1CCCCC1)C2 ZINC000012371799 539557270 /nfs/dbraw/zinc/55/72/70/539557270.db2.gz CBOUGJRTSWHQAN-UHFFFAOYSA-N 1 2 356.426 2.052 50 0 FEAALO Cc1cccc(N2CC[NH+]([C@@H](C)C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000012554811 539565931 /nfs/dbraw/zinc/56/59/31/539565931.db2.gz RWFWGLKFJBNCHL-SCTDSRPQSA-N 1 2 359.514 2.450 50 0 FEAALO O=C(Cc1cn2ccsc2n1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000012628622 539568972 /nfs/dbraw/zinc/56/89/72/539568972.db2.gz FUIHEVCSVQBALY-UHFFFAOYSA-N 1 2 370.478 2.087 50 0 FEAALO C[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000014006868 539593518 /nfs/dbraw/zinc/59/35/18/539593518.db2.gz BDWAZLOSMVUGAR-INIZCTEOSA-N 1 2 367.449 2.480 50 0 FEAALO CCOC(=O)Cn1nnnc1[C@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000015413617 539617811 /nfs/dbraw/zinc/61/78/11/539617811.db2.gz KNUBPPXHYZEMLV-GOSISDBHSA-N 1 2 351.410 2.115 50 0 FEAALO COc1ccc(N2C(=O)C[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000018143860 539647497 /nfs/dbraw/zinc/64/74/97/539647497.db2.gz IUHUZOGHNWENMW-LJQANCHMSA-N 1 2 365.433 2.149 50 0 FEAALO COc1cc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)cc(OC)c1O ZINC000019549416 539659173 /nfs/dbraw/zinc/65/91/73/539659173.db2.gz WCJIPBWRGMNKGY-UHFFFAOYSA-N 1 2 356.422 2.367 50 0 FEAALO Cc1c(C[N@@H+]2C[C@H]3OC(=O)N(CCc4ccc(F)cc4)[C@H]3C2)cnn1C ZINC000019837669 539670171 /nfs/dbraw/zinc/67/01/71/539670171.db2.gz WOJXMJCRXCUDMU-ZWKOTPCHSA-N 1 2 358.417 2.115 50 0 FEAALO Cc1c(C[N@H+]2C[C@H]3OC(=O)N(CCc4ccc(F)cc4)[C@H]3C2)cnn1C ZINC000019837669 539670173 /nfs/dbraw/zinc/67/01/73/539670173.db2.gz WOJXMJCRXCUDMU-ZWKOTPCHSA-N 1 2 358.417 2.115 50 0 FEAALO CCOC(=O)N1CC[NH+](C[C@H](O)COc2cc(C)c(Cl)c(C)c2)CC1 ZINC000019809469 539670186 /nfs/dbraw/zinc/67/01/86/539670186.db2.gz QSQCAJDUWGKIOT-HNNXBMFYSA-N 1 2 370.877 2.471 50 0 FEAALO Cc1ccccc1C(=O)NCC[NH+]1CCN(C(=O)c2ccccc2C)CC1 ZINC000020418403 539674248 /nfs/dbraw/zinc/67/42/48/539674248.db2.gz MZVFDTIYUFIGJT-UHFFFAOYSA-N 1 2 365.477 2.491 50 0 FEAALO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nncn2-c2ccccc2C)CC1 ZINC000021332535 539683012 /nfs/dbraw/zinc/68/30/12/539683012.db2.gz UFEWFGIKSCYIOT-HNNXBMFYSA-N 1 2 359.499 2.220 50 0 FEAALO COC(=O)[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022787319 539699763 /nfs/dbraw/zinc/69/97/63/539699763.db2.gz USMRZZIKAHMWJO-HXUWFJFHSA-N 1 2 368.433 2.447 50 0 FEAALO C[C@@H](C(=O)NC(=O)NC1CCCC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000023248996 539710320 /nfs/dbraw/zinc/71/03/20/539710320.db2.gz LAUWPMMBJKEOMP-AWEZNQCLSA-N 1 2 364.515 2.023 50 0 FEAALO O=C(/C=C/c1ccco1)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000023786771 539720696 /nfs/dbraw/zinc/72/06/96/539720696.db2.gz AMFNJNWCPTXNPX-GQCTYLIASA-N 1 2 354.406 2.408 50 0 FEAALO O=C(Nc1ccc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1)C1CC1 ZINC000023801054 539720779 /nfs/dbraw/zinc/72/07/79/539720779.db2.gz ISKWPINDOLVZDZ-UHFFFAOYSA-N 1 2 364.449 2.388 50 0 FEAALO O=S(=O)(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(F)c(F)c1 ZINC000023994329 539724130 /nfs/dbraw/zinc/72/41/30/539724130.db2.gz OEYIMCCPARVBCF-UHFFFAOYSA-N 1 2 374.453 2.278 50 0 FEAALO COc1ccc(C[N@H+](C)[C@@H](C(=O)NC(N)=O)c2ccccc2)cc1OC ZINC000024810439 539741267 /nfs/dbraw/zinc/74/12/67/539741267.db2.gz BDJPVBGWYLNAMO-QGZVFWFLSA-N 1 2 357.410 2.072 50 0 FEAALO COc1ccc(C[N@@H+](C)[C@@H](C(=O)NC(N)=O)c2ccccc2)cc1OC ZINC000024810439 539741272 /nfs/dbraw/zinc/74/12/72/539741272.db2.gz BDJPVBGWYLNAMO-QGZVFWFLSA-N 1 2 357.410 2.072 50 0 FEAALO CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCN(C[C@H]2CCCO2)CC1 ZINC000025764488 539768114 /nfs/dbraw/zinc/76/81/14/539768114.db2.gz NIAPNSAWYBGWMH-RTBURBONSA-N 1 2 362.514 2.346 50 0 FEAALO O[C@@H](C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1F ZINC000026898042 539796603 /nfs/dbraw/zinc/79/66/03/539796603.db2.gz GCMZZRKITHCFMD-SFHVURJKSA-N 1 2 358.413 2.406 50 0 FEAALO O[C@@H](CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccccc1F ZINC000026898042 539796607 /nfs/dbraw/zinc/79/66/07/539796607.db2.gz GCMZZRKITHCFMD-SFHVURJKSA-N 1 2 358.413 2.406 50 0 FEAALO C[NH+](C)[C@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1)c1cccc(F)c1 ZINC000027591535 539810982 /nfs/dbraw/zinc/81/09/82/539810982.db2.gz OGMUBORQIKWIAA-QGZVFWFLSA-N 1 2 364.442 2.262 50 0 FEAALO C[NH+](C)[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1)c1cccc(F)c1 ZINC000027591530 539811049 /nfs/dbraw/zinc/81/10/49/539811049.db2.gz OGMUBORQIKWIAA-KRWDZBQOSA-N 1 2 364.442 2.262 50 0 FEAALO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000029862769 539866933 /nfs/dbraw/zinc/86/69/33/539866933.db2.gz VLGURNCGXJWCSS-NSHDSACASA-N 1 2 368.865 2.223 50 0 FEAALO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000029862769 539866935 /nfs/dbraw/zinc/86/69/35/539866935.db2.gz VLGURNCGXJWCSS-NSHDSACASA-N 1 2 368.865 2.223 50 0 FEAALO CSc1ncccc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000032250339 539932597 /nfs/dbraw/zinc/93/25/97/539932597.db2.gz YUBXVZNRABATPT-MRXNPFEDSA-N 1 2 357.479 2.434 50 0 FEAALO CSc1ncccc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000032250339 539932600 /nfs/dbraw/zinc/93/26/00/539932600.db2.gz YUBXVZNRABATPT-MRXNPFEDSA-N 1 2 357.479 2.434 50 0 FEAALO COc1ccc(NC(=O)[C@H](C)N2CC[NH+](Cc3ccco3)CC2)cc1OC ZINC000032851066 539955864 /nfs/dbraw/zinc/95/58/64/539955864.db2.gz AWFWUNHXUKIWEU-HNNXBMFYSA-N 1 2 373.453 2.442 50 0 FEAALO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)CC1 ZINC000035877340 539984790 /nfs/dbraw/zinc/98/47/90/539984790.db2.gz WSGHZQPMPOSBBZ-UHFFFAOYSA-N 1 2 365.499 2.142 50 0 FEAALO O=C(NCCCOc1ccccc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000045210056 540207235 /nfs/dbraw/zinc/20/72/35/540207235.db2.gz TYGVYOUHDIFUPL-UHFFFAOYSA-N 1 2 354.454 2.378 50 0 FEAALO O=C(c1ccccc1)N1CC[NH+](Cc2ccc(=O)n(CC3CC3)c2)CC1 ZINC000065285955 541232811 /nfs/dbraw/zinc/23/28/11/541232811.db2.gz OIRMZLWDUYZSDC-UHFFFAOYSA-N 1 2 351.450 2.216 50 0 FEAALO C[N@H+](Cc1nc(-c2cccnc2)no1)Cc1ccc(N2CCNC2=O)cc1 ZINC000072142188 541787468 /nfs/dbraw/zinc/78/74/68/541787468.db2.gz CKMYPWRCFKZDRU-UHFFFAOYSA-N 1 2 364.409 2.293 50 0 FEAALO C[N@@H+](Cc1nc(-c2cccnc2)no1)Cc1ccc(N2CCNC2=O)cc1 ZINC000072142188 541787474 /nfs/dbraw/zinc/78/74/74/541787474.db2.gz CKMYPWRCFKZDRU-UHFFFAOYSA-N 1 2 364.409 2.293 50 0 FEAALO CCNC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000072151348 541789519 /nfs/dbraw/zinc/78/95/19/541789519.db2.gz 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ZINC000005206721 204197833 /nfs/dbraw/zinc/19/78/33/204197833.db2.gz LPCRBYVWCUPQNW-UHFFFAOYSA-N 1 2 355.394 2.061 50 0 FEAALO Cc1c(C)n(CC[NH+]2CCOCC2)c2ncn(Cc3ccccc3)c(=N)c12 ZINC000006719525 204263115 /nfs/dbraw/zinc/26/31/15/204263115.db2.gz UCOXEZCEAUCFSG-UHFFFAOYSA-N 1 2 365.481 2.315 50 0 FEAALO Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc[nH+]1 ZINC000009446288 204368667 /nfs/dbraw/zinc/36/86/67/204368667.db2.gz GDXBWGPRZWTWDT-UHFFFAOYSA-N 1 2 359.451 2.429 50 0 FEAALO Cc1occc1C(=O)OCC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000010376205 204395367 /nfs/dbraw/zinc/39/53/67/204395367.db2.gz GHCMZQTYYTVISN-KRWDZBQOSA-N 1 2 353.378 2.384 50 0 FEAALO CCNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC000036255865 205008604 /nfs/dbraw/zinc/00/86/04/205008604.db2.gz BDUCTCSHXKYGQV-GOSISDBHSA-N 1 2 361.461 2.278 50 0 FEAALO COc1cc(NS(C)(=O)=O)c(Oc2ccccc2)cc1C(=O)C[NH3+] ZINC000039061176 205044237 /nfs/dbraw/zinc/04/42/37/205044237.db2.gz NDZLXMPZNXTVLW-UHFFFAOYSA-N 1 2 350.396 2.000 50 0 FEAALO COc1ccc(OC[C@@H](O)Cn2c(CCCO)[nH+]c3ccccc32)cc1 ZINC000040115595 205057129 /nfs/dbraw/zinc/05/71/29/205057129.db2.gz ZXHACTTZOYIWNR-HNNXBMFYSA-N 1 2 356.422 2.410 50 0 FEAALO Cn1cc[nH+]c1[C@@H](NC(=O)CCCn1cncn1)c1ccc(Cl)cc1 ZINC000040151823 205059649 /nfs/dbraw/zinc/05/96/49/205059649.db2.gz GTDLEPXXMWTXOD-INIZCTEOSA-N 1 2 358.833 2.351 50 0 FEAALO Cc1cc(NCCS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)[nH+]c2ccccc12 ZINC000042108183 205094274 /nfs/dbraw/zinc/09/42/74/205094274.db2.gz NWUJGCFTFAIJAW-GASCZTMLSA-N 1 2 363.483 2.394 50 0 FEAALO O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054224882 205198928 /nfs/dbraw/zinc/19/89/28/205198928.db2.gz SJTHWJFZXOPEDF-UHFFFAOYSA-N 1 2 363.352 2.360 50 0 FEAALO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1COc2ccccc2O1 ZINC000058178938 205255878 /nfs/dbraw/zinc/25/58/78/205255878.db2.gz IXUSAVVDPIIWNC-GOSISDBHSA-N 1 2 353.353 2.468 50 0 FEAALO O=C([C@@H]1CCOC1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000058357725 205272558 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C[C@@H]1CN(C(=O)C[N@@H+]2CCc3onc(-c4ccccc4)c3C2)C[C@H](C)O1 ZINC000067696276 205386261 /nfs/dbraw/zinc/38/62/61/205386261.db2.gz USMZNUSAOJPSFU-GASCZTMLSA-N 1 2 355.438 2.336 50 0 FEAALO C[C@@H]1CN(C(=O)C[N@H+]2CCc3onc(-c4ccccc4)c3C2)C[C@H](C)O1 ZINC000067696276 205386264 /nfs/dbraw/zinc/38/62/64/205386264.db2.gz USMZNUSAOJPSFU-GASCZTMLSA-N 1 2 355.438 2.336 50 0 FEAALO COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)[nH]c2c3CCCC2)C[N@@H+]1C ZINC000067856626 205397075 /nfs/dbraw/zinc/39/70/75/205397075.db2.gz MWWXSVNNOLMBCR-ACJLOTCBSA-N 1 2 355.438 2.022 50 0 FEAALO COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)[nH]c2c3CCCC2)C[N@H+]1C ZINC000067856626 205397076 /nfs/dbraw/zinc/39/70/76/205397076.db2.gz MWWXSVNNOLMBCR-ACJLOTCBSA-N 1 2 355.438 2.022 50 0 FEAALO C[N@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)Cc1cccnc1 ZINC000132462670 206128182 /nfs/dbraw/zinc/12/81/82/206128182.db2.gz GBNBXQBRVKBHRV-UHFFFAOYSA-N 1 2 366.465 2.066 50 0 FEAALO C[N@@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)Cc1cccnc1 ZINC000132462670 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50 0 FEAALO Cn1c(C[NH+](C)C)nnc1C1CCN(C(=O)c2cc(F)cc(F)c2)CC1 ZINC000077428228 542380973 /nfs/dbraw/zinc/38/09/73/542380973.db2.gz ADKYLEOJKQAGJK-UHFFFAOYSA-N 1 2 363.412 2.175 50 0 FEAALO Cc1ccc(C)c(CC(=O)N2CCC(c3nnc(C[NH+](C)C)n3C)CC2)c1 ZINC000077522546 542391984 /nfs/dbraw/zinc/39/19/84/542391984.db2.gz MHMZRNXCZHGAOT-UHFFFAOYSA-N 1 2 369.513 2.442 50 0 FEAALO CC(=O)N1CCc2c(nc(N(C)C)nc2N[C@H](C)Cc2cccc(C)[nH+]2)C1 ZINC000077522009 542392446 /nfs/dbraw/zinc/39/24/46/542392446.db2.gz YILYBHSWRVPWCJ-CQSZACIVSA-N 1 2 368.485 2.194 50 0 FEAALO O=C(c1ccccn1)N1CCC(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000077455956 542383994 /nfs/dbraw/zinc/38/39/94/542383994.db2.gz IXLGVWQMNKTUQZ-MRXNPFEDSA-N 1 2 367.453 2.063 50 0 FEAALO Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)n(C)n1 ZINC000077503332 542389817 /nfs/dbraw/zinc/38/98/17/542389817.db2.gz UEBDYYKLOPADLH-AWEZNQCLSA-N 1 2 367.457 2.180 50 0 FEAALO Cn1ncc(C[N@@H+]2CCCN(C(=O)c3ccncc3)CC2)c1C(F)(F)F ZINC000079092915 542499307 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O=C(CC[C@@H]1CCCN(C(=O)C2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000095529235 132214996 /nfs/dbraw/zinc/21/49/96/132214996.db2.gz HSJNAEJREHAORD-KRWDZBQOSA-N 1 2 370.497 2.159 50 0 FEAALO Cn1cc[nH+]c1CN1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1 ZINC000244659541 132290077 /nfs/dbraw/zinc/29/00/77/132290077.db2.gz HENVLECBUBMAIH-UHFFFAOYSA-N 1 2 367.497 2.368 50 0 FEAALO CCC1=NO[C@H](C[NH+]2CCN(c3cc(=O)[nH]nc3-c3ccccc3)CC2)C1 ZINC000252482144 132292186 /nfs/dbraw/zinc/29/21/86/132292186.db2.gz CZPQSLZYPBAVRL-KRWDZBQOSA-N 1 2 367.453 2.114 50 0 FEAALO O=C1C[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1Cc1cccs1 ZINC000018271517 132886654 /nfs/dbraw/zinc/88/66/54/132886654.db2.gz QELGPBQEDPFPAX-KRWDZBQOSA-N 1 2 373.453 2.337 50 0 FEAALO Cc1ncc(C(=O)N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)cn1 ZINC000091269991 542803110 /nfs/dbraw/zinc/80/31/10/542803110.db2.gz GBZZCJXVXOCIEP-UHFFFAOYSA-N 1 2 362.437 2.445 50 0 FEAALO Cn1ccc([C@@H]2CCCC[N@@H+]2Cc2cc(=O)c3cc(C(N)=O)ccc3[nH]2)n1 ZINC000091562680 542812361 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COc1ccc(C[N@H+]2CCN(Cc3ccncc3)C[C@@H]2CCO)c(F)c1 ZINC000020209298 524033431 /nfs/dbraw/zinc/03/34/31/524033431.db2.gz TUKKOBAMRZAIEU-SFHVURJKSA-N 1 2 359.445 2.298 50 0 FEAALO Cc1cnc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)cn1 ZINC000091645639 525969584 /nfs/dbraw/zinc/96/95/84/525969584.db2.gz GONWHXQHUXXTAY-QGZVFWFLSA-N 1 2 362.437 2.445 50 0 FEAALO O=C(CCn1cccn1)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000091707142 526673662 /nfs/dbraw/zinc/67/36/62/526673662.db2.gz QSQVDNXLJUNUJJ-UHFFFAOYSA-N 1 2 364.453 2.319 50 0 FEAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1ccccc1F ZINC000019928571 526775496 /nfs/dbraw/zinc/77/54/96/526775496.db2.gz OLSUJZPVWIEYTI-UHFFFAOYSA-N 1 2 371.412 2.311 50 0 FEAALO Cn1c(C[NH+](C)C)nnc1[C@H]1CCCN(c2cnc3ccccc3n2)C1 ZINC000077319067 536063591 /nfs/dbraw/zinc/06/35/91/536063591.db2.gz FGIIBBHIJRIUOQ-AWEZNQCLSA-N 1 2 351.458 2.204 50 0 FEAALO COc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3OC)CC2)cc1 ZINC000055058925 536766520 /nfs/dbraw/zinc/76/65/20/536766520.db2.gz 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CC1(C(=O)[O-])CC[NH+](Cc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC000215109158 548667883 /nfs/dbraw/zinc/66/78/83/548667883.db2.gz XOKHVWWHOAVAGL-UHFFFAOYSA-N 1 2 362.470 2.084 50 0 FEAALO COCCn1nnnc1[C@H]1C[N@H+](Cc2cc3ccccc3s2)CCO1 ZINC000215276988 548669789 /nfs/dbraw/zinc/66/97/89/548669789.db2.gz JXIMGUWTTZFNJI-OAHLLOKOSA-N 1 2 359.455 2.108 50 0 FEAALO COCCn1nnnc1[C@H]1C[N@@H+](Cc2cc3ccccc3s2)CCO1 ZINC000215276988 548669791 /nfs/dbraw/zinc/66/97/91/548669791.db2.gz JXIMGUWTTZFNJI-OAHLLOKOSA-N 1 2 359.455 2.108 50 0 FEAALO CS(=O)(=O)c1ccc(C[NH+]2CCC([C@@H](O)c3ccccn3)CC2)cc1 ZINC000215884754 548674679 /nfs/dbraw/zinc/67/46/79/548674679.db2.gz BEOOSECDHZYLEM-LJQANCHMSA-N 1 2 360.479 2.431 50 0 FEAALO CC(=O)NCCOc1ccc(C(=O)NCc2ccc3[nH]c(C)[nH+]c3c2)cc1 ZINC000220754093 548702605 /nfs/dbraw/zinc/70/26/05/548702605.db2.gz MKISXWGEAPAZPB-UHFFFAOYSA-N 1 2 366.421 2.316 50 0 FEAALO CC(=O)NCCOc1ccc(C(=O)NCc2ccc3[nH+]c(C)[nH]c3c2)cc1 ZINC000220754093 548702607 /nfs/dbraw/zinc/70/26/07/548702607.db2.gz 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Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccsc2C(=O)[O-])C1 ZINC000244795042 548896444 /nfs/dbraw/zinc/89/64/44/548896444.db2.gz QYOGCUKARGGYJR-GFCCVEGCSA-N 1 2 362.455 2.388 50 0 FEAALO Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccsc2C(=O)[O-])C1 ZINC000244795042 548896447 /nfs/dbraw/zinc/89/64/47/548896447.db2.gz QYOGCUKARGGYJR-GFCCVEGCSA-N 1 2 362.455 2.388 50 0 FEAALO NC(=O)c1ccc(NC(=O)C[NH+]2CCC(Oc3ccccc3F)CC2)cc1 ZINC000244882492 548897992 /nfs/dbraw/zinc/89/79/92/548897992.db2.gz XSYFZASQGRFCSV-UHFFFAOYSA-N 1 2 371.412 2.407 50 0 FEAALO Cc1nc2c(c(C)n1)C[C@H](C[N@H+]1CCc3sc(C(=O)N(C)C)cc3C1)O2 ZINC000244899730 548899457 /nfs/dbraw/zinc/89/94/57/548899457.db2.gz ZPBAHDXPMPICHT-CQSZACIVSA-N 1 2 372.494 2.219 50 0 FEAALO Cc1nc2c(c(C)n1)C[C@H](C[N@@H+]1CCc3sc(C(=O)N(C)C)cc3C1)O2 ZINC000244899730 548899459 /nfs/dbraw/zinc/89/94/59/548899459.db2.gz ZPBAHDXPMPICHT-CQSZACIVSA-N 1 2 372.494 2.219 50 0 FEAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)NCCc1ccc(OC)cc1 ZINC000247817390 549383950 /nfs/dbraw/zinc/38/39/50/549383950.db2.gz GPAFMBNSVUMKLE-UHOSZYNNSA-N 1 2 374.481 2.160 50 0 FEAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)NCCc1ccc(OC)cc1 ZINC000247817390 549383952 /nfs/dbraw/zinc/38/39/52/549383952.db2.gz GPAFMBNSVUMKLE-UHOSZYNNSA-N 1 2 374.481 2.160 50 0 FEAALO CC(C)[C@@H](Nc1ncnc2ccccc21)C(=O)NCCc1[nH+]ccn1C ZINC000252480019 549666821 /nfs/dbraw/zinc/66/68/21/549666821.db2.gz BRRHECVPFHRBJB-QGZVFWFLSA-N 1 2 352.442 2.159 50 0 FEAALO Cc1cc(=O)n(CC[N@@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)c(=O)[nH]1 ZINC000253536443 549691950 /nfs/dbraw/zinc/69/19/50/549691950.db2.gz FVLHPXKNKFPUEM-MRXNPFEDSA-N 1 2 353.426 2.361 50 0 FEAALO Cc1cc(=O)n(CC[N@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)c(=O)[nH]1 ZINC000253536443 549691953 /nfs/dbraw/zinc/69/19/53/549691953.db2.gz FVLHPXKNKFPUEM-MRXNPFEDSA-N 1 2 353.426 2.361 50 0 FEAALO Cc1ccccc1CC(=O)N1CCC([N@@H+]2CC(F)(F)C[C@H]2CO)CC1 ZINC000257185365 549713664 /nfs/dbraw/zinc/71/36/64/549713664.db2.gz JLQVHVNSKDQSRI-KRWDZBQOSA-N 1 2 352.425 2.230 50 0 FEAALO Cc1ccccc1CC(=O)N1CCC([N@H+]2CC(F)(F)C[C@H]2CO)CC1 ZINC000257185365 549713665 /nfs/dbraw/zinc/71/36/65/549713665.db2.gz JLQVHVNSKDQSRI-KRWDZBQOSA-N 1 2 352.425 2.230 50 0 FEAALO CNS(=O)(=O)c1cccc2c1CCN(C(=O)Nc1ccc(C)[nH+]c1C)C2 ZINC000285732214 551802545 /nfs/dbraw/zinc/80/25/45/551802545.db2.gz KKNODFOYDQFUPG-UHFFFAOYSA-N 1 2 374.466 2.197 50 0 FEAALO Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(Cl)cc3)[C@H](O)C2)cs1 ZINC000299765729 553612687 /nfs/dbraw/zinc/61/26/87/553612687.db2.gz QPZUZAZTOFVAPG-HZPDHXFCSA-N 1 2 365.886 2.470 50 0 FEAALO Cc1nc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(Cl)cc3)[C@H](O)C2)cs1 ZINC000299765729 553612689 /nfs/dbraw/zinc/61/26/89/553612689.db2.gz QPZUZAZTOFVAPG-HZPDHXFCSA-N 1 2 365.886 2.470 50 0 FEAALO CCC(=O)NCc1cc2n(n1)CC[N@H+](Cc1c[nH]nc1-c1ccccc1)C2 ZINC000299796044 553615590 /nfs/dbraw/zinc/61/55/90/553615590.db2.gz NFTQINICNYOIBK-UHFFFAOYSA-N 1 2 364.453 2.315 50 0 FEAALO CCC(=O)NCc1cc2n(n1)CC[N@@H+](Cc1c[nH]nc1-c1ccccc1)C2 ZINC000299796044 553615592 /nfs/dbraw/zinc/61/55/92/553615592.db2.gz NFTQINICNYOIBK-UHFFFAOYSA-N 1 2 364.453 2.315 50 0 FEAALO OC[C@H]1CCCN1c1cc(N2CC[C@]3(C2)OCc2ccccc23)[nH+]cn1 ZINC000302261158 553713687 /nfs/dbraw/zinc/71/36/87/553713687.db2.gz PQBGBEQSYNEWEA-OXQOHEQNSA-N 1 2 352.438 2.074 50 0 FEAALO OC[C@H]1CCCN1c1cc(N2CC[C@]3(C2)OCc2ccccc23)nc[nH+]1 ZINC000302261158 553713691 /nfs/dbraw/zinc/71/36/91/553713691.db2.gz PQBGBEQSYNEWEA-OXQOHEQNSA-N 1 2 352.438 2.074 50 0 FEAALO CC[N@@H+]1CCOC[C@H]1C(=O)N[C@H](C)c1ccc(OC)c(Br)c1 ZINC000330663028 554153433 /nfs/dbraw/zinc/15/34/33/554153433.db2.gz PRJJYDMPVVVIHY-RISCZKNCSA-N 1 2 371.275 2.356 50 0 FEAALO CC[N@H+]1CCOC[C@H]1C(=O)N[C@H](C)c1ccc(OC)c(Br)c1 ZINC000330663028 554153437 /nfs/dbraw/zinc/15/34/37/554153437.db2.gz PRJJYDMPVVVIHY-RISCZKNCSA-N 1 2 371.275 2.356 50 0 FEAALO OC[C@@H]1CCCN(c2cc(N3CCOc4cccc(F)c4C3)nc[nH+]2)C1 ZINC000373860308 557775213 /nfs/dbraw/zinc/77/52/13/557775213.db2.gz RTMYPUCTSGKLCV-CQSZACIVSA-N 1 2 358.417 2.223 50 0 FEAALO OC[C@@H]1CCCN(c2cc(N3CCOc4cccc(F)c4C3)[nH+]cn2)C1 ZINC000373860308 557775214 /nfs/dbraw/zinc/77/52/14/557775214.db2.gz RTMYPUCTSGKLCV-CQSZACIVSA-N 1 2 358.417 2.223 50 0 FEAALO COCc1noc(C[N@@H+]2CC[C@]3(OC)CC[C@@H](Oc4ccccn4)C[C@H]23)n1 ZINC000426531736 559737010 /nfs/dbraw/zinc/73/70/10/559737010.db2.gz NDDWAAXCPCZQJB-ZRGWGRIASA-N 1 2 374.441 2.202 50 0 FEAALO COCc1noc(C[N@H+]2CC[C@]3(OC)CC[C@@H](Oc4ccccn4)C[C@H]23)n1 ZINC000426531736 559737011 /nfs/dbraw/zinc/73/70/11/559737011.db2.gz NDDWAAXCPCZQJB-ZRGWGRIASA-N 1 2 374.441 2.202 50 0 FEAALO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1cnc2ccccn2c1=O ZINC000464292597 560838254 /nfs/dbraw/zinc/83/82/54/560838254.db2.gz VTPHARDTDIASAA-UHFFFAOYSA-N 1 2 373.416 2.212 50 0 FEAALO COc1ccc2[nH]c(CCN(C)C(=O)NC[C@@H](C)n3cc[nH+]c3)nc2c1 ZINC000534645997 562539102 /nfs/dbraw/zinc/53/91/02/562539102.db2.gz ODRGDYFHICLCKH-CYBMUJFWSA-N 1 2 356.430 2.213 50 0 FEAALO CCOc1ccc(Cl)cc1NC(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000048309020 570943263 /nfs/dbraw/zinc/94/32/63/570943263.db2.gz HQKGTRFYQJLBPA-UHFFFAOYSA-N 1 2 368.865 2.024 50 0 FEAALO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@H](Oc2ncccn2)C1 ZINC000575612038 571165082 /nfs/dbraw/zinc/16/50/82/571165082.db2.gz IIKIVYHZELFWCU-SFHVURJKSA-N 1 2 363.421 2.405 50 0 FEAALO CSCC[C@@H](NC(C)=O)C(=O)N1CC[C@H](n2c(C)[nH+]c3ccccc32)C1 ZINC000575617422 571170216 /nfs/dbraw/zinc/17/02/16/571170216.db2.gz PUXUOJBOVAULBH-DOTOQJQBSA-N 1 2 374.510 2.376 50 0 FEAALO Cn1ccnc1-c1cccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000426430715 571224558 /nfs/dbraw/zinc/22/45/58/571224558.db2.gz KWOPQIFZYJNLBT-IBGZPJMESA-N 1 2 368.481 2.414 50 0 FEAALO NC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3c[nH+]c4ccc(F)cn43)cc2)C1 ZINC000584899041 571315945 /nfs/dbraw/zinc/31/59/45/571315945.db2.gz QVTAHIBBXJJGOS-OAHLLOKOSA-N 1 2 366.396 2.478 50 0 FEAALO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CN1CCOc2ccccc2C1 ZINC000670456116 571353981 /nfs/dbraw/zinc/35/39/81/571353981.db2.gz YXNQCIFKXCBBHX-GOSISDBHSA-N 1 2 356.470 2.309 50 0 FEAALO O=C(NCc1ccc(Cl)s1)c1cc(C[N@H+]2CCC[C@@H](O)C2)on1 ZINC000011844328 669999814 /nfs/dbraw/zinc/99/98/14/669999814.db2.gz RWIOCFSYTGLHOC-SNVBAGLBSA-N 1 2 355.847 2.276 50 0 FEAALO O=C(NCc1ccc(Cl)s1)c1cc(C[N@@H+]2CCC[C@@H](O)C2)on1 ZINC000011844328 669999817 /nfs/dbraw/zinc/99/98/17/669999817.db2.gz RWIOCFSYTGLHOC-SNVBAGLBSA-N 1 2 355.847 2.276 50 0 FEAALO Cc1cccnc1C[NH+]1CCN(C(=O)/C=C/c2cc(CO)cs2)CC1 ZINC000952970946 681793279 /nfs/dbraw/zinc/79/32/79/681793279.db2.gz UFWKQEQKSRVZTR-SNAWJCMRSA-N 1 2 357.479 2.301 50 0 FEAALO CN(CCc1ccccn1)c1[nH+]cccc1CNC(=O)C1CCOCC1 ZINC000011821421 539536136 /nfs/dbraw/zinc/53/61/36/539536136.db2.gz CEPWNARODZCZLZ-UHFFFAOYSA-N 1 2 354.454 2.198 50 0 FEAALO CCN(Cc1[nH+]ccn1C)C(=O)c1ccc(N2CCC[C@@H](COC)C2)nc1 ZINC000011820223 539536527 /nfs/dbraw/zinc/53/65/27/539536527.db2.gz ZRECNEMDHORGQP-MRXNPFEDSA-N 1 2 371.485 2.340 50 0 FEAALO COc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)N2CCCCC2)c(C)c1C ZINC000012299462 539552855 /nfs/dbraw/zinc/55/28/55/539552855.db2.gz RPFIPCJRHBUZBU-SFHVURJKSA-N 1 2 373.497 2.015 50 0 FEAALO COc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)N2CCCCC2)c(C)c1C ZINC000012299462 539552858 /nfs/dbraw/zinc/55/28/58/539552858.db2.gz RPFIPCJRHBUZBU-SFHVURJKSA-N 1 2 373.497 2.015 50 0 FEAALO Cc1cc(C)n(Cc2cc(C(=O)N(Cc3[nH+]ccn3C)C(C)C)[nH]n2)n1 ZINC000012316332 539554481 /nfs/dbraw/zinc/55/44/81/539554481.db2.gz AGSYFBPTDQTFDB-UHFFFAOYSA-N 1 2 355.446 2.056 50 0 FEAALO C[C@H](C(=O)NCc1ccc[nH+]c1N(C)C1CCCCC1)N1CCCC1=O ZINC000012479656 539562089 /nfs/dbraw/zinc/56/20/89/539562089.db2.gz VNQBAFZANJQJON-OAHLLOKOSA-N 1 2 358.486 2.478 50 0 FEAALO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000012534291 539563592 /nfs/dbraw/zinc/56/35/92/539563592.db2.gz JVUZUDJDHGVQNR-AEFFLSMTSA-N 1 2 358.486 2.213 50 0 FEAALO O=C(NCc1cn2ccccc2[nH+]1)[C@H]1CCCN1C(=O)c1cccs1 ZINC000012506815 539562255 /nfs/dbraw/zinc/56/22/55/539562255.db2.gz NIBRCGUBCVUGKN-CQSZACIVSA-N 1 2 354.435 2.317 50 0 FEAALO O=C(c1cc(-c2ccccn2)nc2ccccc21)N1CC[NH+](CCO)CC1 ZINC000012569706 539565682 /nfs/dbraw/zinc/56/56/82/539565682.db2.gz OCRXPJKEWFEPBI-UHFFFAOYSA-N 1 2 362.433 2.047 50 0 FEAALO O=C(C[NH+]1CCC(C(=O)c2ccccc2)CC1)NC(=O)NCc1ccco1 ZINC000014110435 539595955 /nfs/dbraw/zinc/59/59/55/539595955.db2.gz NIOHKCNOXUCERF-UHFFFAOYSA-N 1 2 369.421 2.200 50 0 FEAALO Cc1ccc(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000018180332 539647008 /nfs/dbraw/zinc/64/70/08/539647008.db2.gz DPHXBFJZXCFSDY-UHFFFAOYSA-N 1 2 352.438 2.458 50 0 FEAALO O=C(C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(N2CCCC2)cc1 ZINC000018709311 539649857 /nfs/dbraw/zinc/64/98/57/539649857.db2.gz NYCDIFBLRHMJOG-UHFFFAOYSA-N 1 2 365.481 2.443 50 0 FEAALO CCOC(=O)c1nn(Cc2ccccc2)c2c1C[N@@H+]([C@@H](C)CCO)CC2 ZINC000019111662 539651827 /nfs/dbraw/zinc/65/18/27/539651827.db2.gz JLCLZBVRTBEHAD-HNNXBMFYSA-N 1 2 357.454 2.237 50 0 FEAALO CCOC(=O)c1nn(Cc2ccccc2)c2c1C[N@H+]([C@@H](C)CCO)CC2 ZINC000019111662 539651833 /nfs/dbraw/zinc/65/18/33/539651833.db2.gz JLCLZBVRTBEHAD-HNNXBMFYSA-N 1 2 357.454 2.237 50 0 FEAALO CCCn1cc(C[N@@H+]2C[C@H]3OC(=O)N(Cc4ccccn4)[C@H]3C2)c(C)n1 ZINC000019739911 539668556 /nfs/dbraw/zinc/66/85/56/539668556.db2.gz XGAXMJNYWNYPFD-ZWKOTPCHSA-N 1 2 355.442 2.202 50 0 FEAALO CCCn1cc(C[N@H+]2C[C@H]3OC(=O)N(Cc4ccccn4)[C@H]3C2)c(C)n1 ZINC000019739911 539668560 /nfs/dbraw/zinc/66/85/60/539668560.db2.gz XGAXMJNYWNYPFD-ZWKOTPCHSA-N 1 2 355.442 2.202 50 0 FEAALO C[N@@H+]1CCc2c(sc3nc(NN)n(-c4ccc(Cl)cc4)c(=O)c23)C1 ZINC000020265974 539673393 /nfs/dbraw/zinc/67/33/93/539673393.db2.gz KKXMKHPAQSCBCB-UHFFFAOYSA-N 1 2 361.858 2.374 50 0 FEAALO C[N@H+]1CCc2c(sc3nc(NN)n(-c4ccc(Cl)cc4)c(=O)c23)C1 ZINC000020265974 539673395 /nfs/dbraw/zinc/67/33/95/539673395.db2.gz KKXMKHPAQSCBCB-UHFFFAOYSA-N 1 2 361.858 2.374 50 0 FEAALO O=c1oc2ccccc2n1CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022038667 539691562 /nfs/dbraw/zinc/69/15/62/539691562.db2.gz BIADKFCRZJSJFE-UHFFFAOYSA-N 1 2 367.405 2.099 50 0 FEAALO Cc1nc2n(n1)C(=O)C([C@@H](c1ccccc1)[NH+]1CCC(C(N)=O)CC1)S2 ZINC000023156780 539707871 /nfs/dbraw/zinc/70/78/71/539707871.db2.gz PKQTZEPWHWIUAK-CQSZACIVSA-N 1 2 371.466 2.092 50 0 FEAALO CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000022964382 539703689 /nfs/dbraw/zinc/70/36/89/539703689.db2.gz WPUZFTITQFAPFM-HNNXBMFYSA-N 1 2 367.515 2.104 50 0 FEAALO CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000022964382 539703692 /nfs/dbraw/zinc/70/36/92/539703692.db2.gz WPUZFTITQFAPFM-HNNXBMFYSA-N 1 2 367.515 2.104 50 0 FEAALO CC(C)(C)C(=O)N1CCC(C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000023320167 539712287 /nfs/dbraw/zinc/71/22/87/539712287.db2.gz SJZBCGHDVCSXEH-UHFFFAOYSA-N 1 2 356.470 2.278 50 0 FEAALO Cc1cccc(C)c1OC[C@H](O)C[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000023389392 539713372 /nfs/dbraw/zinc/71/33/72/539713372.db2.gz GFMXQLFUXNISAE-MRXNPFEDSA-N 1 2 367.449 2.412 50 0 FEAALO Cc1cccc(C)c1OC[C@H](O)C[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000023389392 539713375 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O=C(c1cc(=O)c2ccccc2o1)N1CC[NH+](CCc2ccccn2)CC1 ZINC000032594204 539944379 /nfs/dbraw/zinc/94/43/79/539944379.db2.gz CLXVJKZZPQZWNN-UHFFFAOYSA-N 1 2 363.417 2.189 50 0 FEAALO CC(C)c1nc(CC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cs1 ZINC000032638671 539945932 /nfs/dbraw/zinc/94/59/32/539945932.db2.gz SHVGOROPUKLBQD-UHFFFAOYSA-N 1 2 360.483 2.357 50 0 FEAALO C[C@H]1CN(c2ccc(CNC(=O)c3ccc4c(c3)OCO4)c[nH+]2)C[C@H](C)O1 ZINC000032930452 539960205 /nfs/dbraw/zinc/96/02/05/539960205.db2.gz MRNDVKBDYIYVMM-KBPBESRZSA-N 1 2 369.421 2.354 50 0 FEAALO CN(CCc1ccccn1)c1[nH+]cccc1CNc1ccc(C(N)=O)cn1 ZINC000067934864 541530209 /nfs/dbraw/zinc/53/02/09/541530209.db2.gz ULHPRTDQQCNGFK-UHFFFAOYSA-N 1 2 362.437 2.262 50 0 FEAALO C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000067968064 541534309 /nfs/dbraw/zinc/53/43/09/541534309.db2.gz IDSUFMSZVGRJLY-CYBMUJFWSA-N 1 2 366.377 2.080 50 0 FEAALO O=C(NCc1cccnc1-n1cc[nH+]c1)c1cc(-c2ccccc2O)n[nH]1 ZINC000067983410 541535735 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O=C(C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC1)NCCCc1ccccc1 ZINC000062581198 205290546 /nfs/dbraw/zinc/29/05/46/205290546.db2.gz QNKFRYFPYWSYKS-IBGZPJMESA-N 1 2 357.498 2.212 50 0 FEAALO O=C(C[N@H+]1CCCC[C@H]1C(=O)N1CCCC1)NCCCc1ccccc1 ZINC000062581198 205290548 /nfs/dbraw/zinc/29/05/48/205290548.db2.gz QNKFRYFPYWSYKS-IBGZPJMESA-N 1 2 357.498 2.212 50 0 FEAALO O=C(C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC1)NCCCc1ccccc1 ZINC000062581192 205290690 /nfs/dbraw/zinc/29/06/90/205290690.db2.gz QNKFRYFPYWSYKS-LJQANCHMSA-N 1 2 357.498 2.212 50 0 FEAALO O=C(C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC1)NCCCc1ccccc1 ZINC000062581192 205290696 /nfs/dbraw/zinc/29/06/96/205290696.db2.gz QNKFRYFPYWSYKS-LJQANCHMSA-N 1 2 357.498 2.212 50 0 FEAALO CCN(CC)c1[nH+]cnc2c1cnn2CC(=O)NCc1ccc(F)cc1 ZINC000065295930 205335401 /nfs/dbraw/zinc/33/54/01/205335401.db2.gz YMKGKGWEVHEACW-UHFFFAOYSA-N 1 2 356.405 2.128 50 0 FEAALO Cc1cc(C)n(-c2cc(NCCNC(=O)c3c(F)cccc3F)[nH+]cn2)n1 ZINC000067604024 205375879 /nfs/dbraw/zinc/37/58/79/205375879.db2.gz RFPGVCXMHPNTKJ-UHFFFAOYSA-N 1 2 372.379 2.399 50 0 FEAALO COc1ccccc1[C@@H](C)N(C)C(=O)c1cc(C[NH+]2CCC(O)CC2)on1 ZINC000067641326 205377670 /nfs/dbraw/zinc/37/76/70/205377670.db2.gz AQWSDAZVETWFSP-CQSZACIVSA-N 1 2 373.453 2.473 50 0 FEAALO O=C(Nc1ccc(F)cc1)N1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000067613474 205378082 /nfs/dbraw/zinc/37/80/82/205378082.db2.gz XFCCIDLMSVMKPN-UHFFFAOYSA-N 1 2 367.388 2.156 50 0 FEAALO Cc1nnc([C@H](C)NC(=O)c2cc(C[N@H+](C)Cc3ccccc3)on2)[nH]1 ZINC000067847257 205396249 /nfs/dbraw/zinc/39/62/49/205396249.db2.gz HIMRZKISSQYXSL-LBPRGKRZSA-N 1 2 354.414 2.224 50 0 FEAALO Cc1nnc([C@H](C)NC(=O)c2cc(C[N@@H+](C)Cc3ccccc3)on2)[nH]1 ZINC000067847257 205396253 /nfs/dbraw/zinc/39/62/53/205396253.db2.gz HIMRZKISSQYXSL-LBPRGKRZSA-N 1 2 354.414 2.224 50 0 FEAALO Cc1nc([C@H](C)NC(=O)c2cc(C[N@H+](C)Cc3ccccc3)on2)n[nH]1 ZINC000067847257 205396258 /nfs/dbraw/zinc/39/62/58/205396258.db2.gz HIMRZKISSQYXSL-LBPRGKRZSA-N 1 2 354.414 2.224 50 0 FEAALO Cc1nc([C@H](C)NC(=O)c2cc(C[N@@H+](C)Cc3ccccc3)on2)n[nH]1 ZINC000067847257 205396262 /nfs/dbraw/zinc/39/62/62/205396262.db2.gz HIMRZKISSQYXSL-LBPRGKRZSA-N 1 2 354.414 2.224 50 0 FEAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(=O)n2c(C)csc2n1 ZINC000106061559 206013010 /nfs/dbraw/zinc/01/30/10/206013010.db2.gz RHADBZSPOIPCNF-SNPRPXQTSA-N 1 2 361.467 2.371 50 0 FEAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc(=O)n2c(C)csc2n1 ZINC000106061559 206013015 /nfs/dbraw/zinc/01/30/15/206013015.db2.gz RHADBZSPOIPCNF-SNPRPXQTSA-N 1 2 361.467 2.371 50 0 FEAALO O[C@@H]1CCN(c2cc[nH+]c(N3Cc4cnc(-c5ccccc5)nc4C3)n2)C1 ZINC000106735586 206015585 /nfs/dbraw/zinc/01/55/85/206015585.db2.gz NGNVNYXWMLLZCN-MRXNPFEDSA-N 1 2 360.421 2.025 50 0 FEAALO Cc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)Nc3ccnn3C(C)C)CC2)nn1 ZINC000107497205 206018976 /nfs/dbraw/zinc/01/89/76/206018976.db2.gz BTDJILILNYPAKH-MRXNPFEDSA-N 1 2 371.489 2.102 50 0 FEAALO Cc1ccc(N2CCC[N@H+]([C@H](C)C(=O)Nc3ccnn3C(C)C)CC2)nn1 ZINC000107497205 206018981 /nfs/dbraw/zinc/01/89/81/206018981.db2.gz BTDJILILNYPAKH-MRXNPFEDSA-N 1 2 371.489 2.102 50 0 FEAALO CCc1cnc2c(c(=O)n(C)c(=O)n2C)c1Nc1ccc([NH+](C)C)cc1 ZINC000012227122 206289624 /nfs/dbraw/zinc/28/96/24/206289624.db2.gz HPIOEOUCVUONLD-UHFFFAOYSA-N 1 2 353.426 2.004 50 0 FEAALO Cn1ncc2c1nc[nH+]c2NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000175162478 206290616 /nfs/dbraw/zinc/29/06/16/206290616.db2.gz OEHBVLBBZLAPFI-UHFFFAOYSA-N 1 2 364.453 2.257 50 0 FEAALO O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)c1[nH]nc2ccccc21 ZINC000012574967 206293305 /nfs/dbraw/zinc/29/33/05/206293305.db2.gz SNKSTQWDLLABPT-OAHLLOKOSA-N 1 2 356.451 2.428 50 0 FEAALO CC(C)S(=O)(=O)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106529525 206311644 /nfs/dbraw/zinc/31/16/44/206311644.db2.gz TUTJQOUDMUIHAH-HLLBOEOZSA-N 1 2 352.500 2.150 50 0 FEAALO CC(C)S(=O)(=O)[C@@H](C)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000106529525 206311650 /nfs/dbraw/zinc/31/16/50/206311650.db2.gz TUTJQOUDMUIHAH-HLLBOEOZSA-N 1 2 352.500 2.150 50 0 FEAALO O=C(c1ccc[nH]1)N1CC[NH+](Cc2cnc(-c3cccs3)nc2)CC1 ZINC000215707882 206349297 /nfs/dbraw/zinc/34/92/97/206349297.db2.gz OYPLYOHCZBNYKH-UHFFFAOYSA-N 1 2 353.451 2.491 50 0 FEAALO O[C@H](c1ccccn1)C1CC[NH+](Cc2nc(-c3cccnc3)no2)CC1 ZINC000244794924 206557733 /nfs/dbraw/zinc/55/77/33/206557733.db2.gz QWMWTWVLBIBRAV-SFHVURJKSA-N 1 2 351.410 2.472 50 0 FEAALO CC(C)c1ccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)c(=O)[nH]1 ZINC000077421935 542380729 /nfs/dbraw/zinc/38/07/29/542380729.db2.gz YLXCLZCEUSVNKT-UHFFFAOYSA-N 1 2 369.465 2.335 50 0 FEAALO CCN(CC)C(=O)N1CCC(c2nnc(C[NH+]3CCCCC3)n2C)CC1 ZINC000077453763 542384195 /nfs/dbraw/zinc/38/41/95/542384195.db2.gz QOFLJJIMPCCGKN-UHFFFAOYSA-N 1 2 362.522 2.442 50 0 FEAALO Cn1c(C[NH+]2CCCCC2)nnc1C1CCN(C(=O)c2cc[nH]c2)CC1 ZINC000077505016 542390150 /nfs/dbraw/zinc/39/01/50/542390150.db2.gz KFKUELAEGXHNQG-UHFFFAOYSA-N 1 2 356.474 2.149 50 0 FEAALO Cc1ncc(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)s1 ZINC000078714530 542477762 /nfs/dbraw/zinc/47/77/62/542477762.db2.gz XXMZLMXUCUQWFO-UHFFFAOYSA-N 1 2 358.467 2.284 50 0 FEAALO Cc1cc(=O)c(O)c(CN2CC[NH+](Cc3ccccc3Cl)CC2)n1C ZINC000079490988 542522430 /nfs/dbraw/zinc/52/24/30/542522430.db2.gz HUPALYDUVXSKTR-UHFFFAOYSA-N 1 2 361.873 2.371 50 0 FEAALO Cn1nc(Br)c2c1nc[nH+]c2N[C@@H]1CCCCC[C@@H]1CO ZINC000084310279 542711449 /nfs/dbraw/zinc/71/14/49/542711449.db2.gz HEFVKMLSGYCKMT-NXEZZACHSA-N 1 2 354.252 2.479 50 0 FEAALO C[C@@]1(Cc2ccc3c(c2)OCO3)CCCN(c2cc3nncn3c(N)[nH+]2)C1 ZINC000095390052 132210458 /nfs/dbraw/zinc/21/04/58/132210458.db2.gz RBIFATCTBCGIFM-IBGZPJMESA-N 1 2 366.425 2.284 50 0 FEAALO O=c1[nH]ccnc1N1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000097569044 132229787 /nfs/dbraw/zinc/22/97/87/132229787.db2.gz BGTGFSXSPCLWDY-UHFFFAOYSA-N 1 2 353.451 2.216 50 0 FEAALO Cc1[nH+]c(N2CCCC2)ccc1NC(=O)N1CCN(c2ncccn2)CC1 ZINC000121897040 132248935 /nfs/dbraw/zinc/24/89/35/132248935.db2.gz SALOOUYERXQLAC-UHFFFAOYSA-N 1 2 367.457 2.134 50 0 FEAALO O=C(C[NH+]1CCN(c2ccc(OC(F)(F)F)cn2)CC1)N1CCCCC1 ZINC000170598796 132264404 /nfs/dbraw/zinc/26/44/04/132264404.db2.gz YVMMOAUVOZXJOZ-UHFFFAOYSA-N 1 2 372.391 2.115 50 0 FEAALO Cc1ccc(-c2ccnc(N3CC[C@H]4[C@H](C3)OCc3cnnn34)n2)c(C)[nH+]1 ZINC000299801838 132300835 /nfs/dbraw/zinc/30/08/35/132300835.db2.gz ZPSLDEUXPYTZNA-ROUUACIJSA-N 1 2 363.425 2.097 50 0 FEAALO COCCn1cc[nH+]c1C1CCN(S(=O)(=O)c2sccc2C)CC1 ZINC000091326182 542804455 /nfs/dbraw/zinc/80/44/55/542804455.db2.gz VRGGHHWBEVUFEL-UHFFFAOYSA-N 1 2 369.512 2.468 50 0 FEAALO CCn1cc[nH+]c1C1CCN(S(=O)(=O)N(C)Cc2ccccc2)CC1 ZINC000091586054 542813999 /nfs/dbraw/zinc/81/39/99/542813999.db2.gz JXBDZAMWJQZIFM-UHFFFAOYSA-N 1 2 362.499 2.459 50 0 FEAALO Cn1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3ccccn3)C2)n1 ZINC000091725230 542822146 /nfs/dbraw/zinc/82/21/46/542822146.db2.gz ORMIPIBIRUSPAD-OAHLLOKOSA-N 1 2 350.426 2.080 50 0 FEAALO O=C(CCc1nc(-c2ccncc2)no1)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000091769089 542824311 /nfs/dbraw/zinc/82/43/11/542824311.db2.gz GBNYDBFORBCVES-OAHLLOKOSA-N 1 2 366.425 2.200 50 0 FEAALO CCCc1ccc(C[N@@H+]2CCCn3nc(CNC(=O)COC)cc3C2)o1 ZINC000091819763 542827514 /nfs/dbraw/zinc/82/75/14/542827514.db2.gz GLWYYWRLDMBYIH-UHFFFAOYSA-N 1 2 360.458 2.097 50 0 FEAALO CCCc1ccc(C[N@H+]2CCCn3nc(CNC(=O)COC)cc3C2)o1 ZINC000091819763 542827515 /nfs/dbraw/zinc/82/75/15/542827515.db2.gz GLWYYWRLDMBYIH-UHFFFAOYSA-N 1 2 360.458 2.097 50 0 FEAALO COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc3c(c2)ncn3C)C1 ZINC000091906681 542832529 /nfs/dbraw/zinc/83/25/29/542832529.db2.gz YUOUOIWVCDDQTI-INIZCTEOSA-N 1 2 367.453 2.436 50 0 FEAALO CCCCn1cc[nH+]c1C1CCN(C(=O)C[C@H]2C=CS(=O)(=O)C2)CC1 ZINC000092001730 542836032 /nfs/dbraw/zinc/83/60/32/542836032.db2.gz NZQNXSHFSWNAGD-OAHLLOKOSA-N 1 2 365.499 2.338 50 0 FEAALO O=C(C[NH+]1CCN(c2ccccn2)CC1)NC1CCC(C(F)(F)F)CC1 ZINC000042287935 136121207 /nfs/dbraw/zinc/12/12/07/136121207.db2.gz CJIJNLJTOFOFQB-UHFFFAOYSA-N 1 2 370.419 2.441 50 0 FEAALO CC(=O)c1ccc(N2CC[NH+](CCn3c(C)csc3=O)CC2)c(F)c1 ZINC000052686882 136124642 /nfs/dbraw/zinc/12/46/42/136124642.db2.gz GAUOQHJOTKUJDG-UHFFFAOYSA-N 1 2 363.458 2.382 50 0 FEAALO Cc1nnc(SCCNC(=O)C[NH+]2CCC(c3ccccc3)CC2)[nH]1 ZINC000095367495 542962187 /nfs/dbraw/zinc/96/21/87/542962187.db2.gz PWENWCAQUBTZCK-UHFFFAOYSA-N 1 2 359.499 2.201 50 0 FEAALO Cc1sc2ccn(C)c(=O)c2c1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000065230054 136135602 /nfs/dbraw/zinc/13/56/02/136135602.db2.gz BHWSGJVUCSVWCZ-UHFFFAOYSA-N 1 2 368.462 2.266 50 0 FEAALO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000012553215 136152116 /nfs/dbraw/zinc/15/21/16/136152116.db2.gz HHWYIMBIDFGGNR-OAHLLOKOSA-N 1 2 359.449 2.325 50 0 FEAALO Cc1cc(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c(C)s1 ZINC000023462856 136152983 /nfs/dbraw/zinc/15/29/83/136152983.db2.gz CPVXFGNOYDJJJG-UHFFFAOYSA-N 1 2 356.455 2.004 50 0 FEAALO CC(C)(C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1)[NH+]1CCOCC1 ZINC000095356716 542958253 /nfs/dbraw/zinc/95/82/53/542958253.db2.gz VVIZWXZNHJCJLX-UHFFFAOYSA-N 1 2 365.905 2.095 50 0 FEAALO Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2ccc(-n3cc[nH+]c3)cc2)on1 ZINC000095358252 542959432 /nfs/dbraw/zinc/95/94/32/542959432.db2.gz JDKKJXQEQYCDEM-QAPCUYQASA-N 1 2 352.394 2.156 50 0 FEAALO Cc1cc(C(F)(F)F)nc(CNC(=O)[C@@H]2Cc3ccccc3C[N@H+]2C)n1 ZINC000095386390 542965787 /nfs/dbraw/zinc/96/57/87/542965787.db2.gz UTIYGPAKDRSPII-AWEZNQCLSA-N 1 2 364.371 2.477 50 0 FEAALO Cc1cc(C(F)(F)F)nc(CNC(=O)[C@@H]2Cc3ccccc3C[N@@H+]2C)n1 ZINC000095386390 542965790 /nfs/dbraw/zinc/96/57/90/542965790.db2.gz UTIYGPAKDRSPII-AWEZNQCLSA-N 1 2 364.371 2.477 50 0 FEAALO C[N@H+](CC(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1)C1CC[NH+](C)CC1 ZINC000095384366 542965837 /nfs/dbraw/zinc/96/58/37/542965837.db2.gz YOUPVNUNDOFATK-SFHVURJKSA-N 1 2 373.497 2.117 50 0 FEAALO C[N@@H+](CC(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1)C1CC[NH+](C)CC1 ZINC000095384366 542965839 /nfs/dbraw/zinc/96/58/39/542965839.db2.gz YOUPVNUNDOFATK-SFHVURJKSA-N 1 2 373.497 2.117 50 0 FEAALO Cc1ccc(C(=O)N2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)s1 ZINC000095388016 542967079 /nfs/dbraw/zinc/96/70/79/542967079.db2.gz NDOPYZVSZUKNSD-CQSZACIVSA-N 1 2 370.482 2.450 50 0 FEAALO CSc1ccccc1C(=O)N1CCC[C@@H](c2[nH+]ccn2CC(N)=O)C1 ZINC000095503781 542975264 /nfs/dbraw/zinc/97/52/64/542975264.db2.gz WHKDXILQVXKFSJ-CYBMUJFWSA-N 1 2 358.467 2.110 50 0 FEAALO O=C([O-])[C@@]12C[NH+](C3CCCCC3)C[C@@H]1C[N@@H+](CCn1cc(Cl)cn1)C2 ZINC000096151833 542993657 /nfs/dbraw/zinc/99/36/57/542993657.db2.gz GPFDIESVXMDGIO-KSSFIOAISA-N 1 2 366.893 2.188 50 0 FEAALO O=C([O-])[C@@]12C[NH+](C3CCCCC3)C[C@@H]1C[N@H+](CCn1cc(Cl)cn1)C2 ZINC000096151833 542993659 /nfs/dbraw/zinc/99/36/59/542993659.db2.gz GPFDIESVXMDGIO-KSSFIOAISA-N 1 2 366.893 2.188 50 0 FEAALO O=C([O-])[C@]12C[NH+](CCn3cc(Cl)cn3)C[C@H]1C[N@@H+](C1CCCCC1)C2 ZINC000096151833 542993662 /nfs/dbraw/zinc/99/36/62/542993662.db2.gz GPFDIESVXMDGIO-KSSFIOAISA-N 1 2 366.893 2.188 50 0 FEAALO O=C([O-])[C@]12C[NH+](CCn3cc(Cl)cn3)C[C@H]1C[N@H+](C1CCCCC1)C2 ZINC000096151833 542993664 /nfs/dbraw/zinc/99/36/64/542993664.db2.gz GPFDIESVXMDGIO-KSSFIOAISA-N 1 2 366.893 2.188 50 0 FEAALO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCCN(C(=O)C2CCC2)CC1 ZINC000097088430 543003889 /nfs/dbraw/zinc/00/38/89/543003889.db2.gz MRGYSDMQPSXILR-UHFFFAOYSA-N 1 2 352.438 2.347 50 0 FEAALO Cc1n[nH]c(CCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1C ZINC000097602496 543013700 /nfs/dbraw/zinc/01/37/00/543013700.db2.gz GVOBHGAPKCLOGS-UHFFFAOYSA-N 1 2 370.453 2.032 50 0 FEAALO O=C(N[C@@H](CCn1cc[nH+]c1)c1ccccc1)c1ccnc(-n2cnnc2)c1 ZINC000097785381 543016664 /nfs/dbraw/zinc/01/66/64/543016664.db2.gz LPTABOQOJFSMKL-SFHVURJKSA-N 1 2 373.420 2.420 50 0 FEAALO CNS(=O)(=O)c1ccc2c(c1)CCN2Cc1c[nH+]c2c(C)cccn12 ZINC000191549918 328270775 /nfs/dbraw/zinc/27/07/75/328270775.db2.gz GHZHMOGEQWTKHS-UHFFFAOYSA-N 1 2 356.451 2.114 50 0 FEAALO CC(C)[C@@H]1C[C@H](CC(=O)N2CC[C@@H]([N@H+](C)Cc3ncccn3)C2)CCO1 ZINC000276089576 330118277 /nfs/dbraw/zinc/11/82/77/330118277.db2.gz VSEKBIRKMWRXJK-KURKYZTESA-N 1 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/nfs/dbraw/zinc/67/47/58/526674758.db2.gz NQQTWRHLYFDSOW-UHFFFAOYSA-N 1 2 364.453 2.319 50 0 FEAALO Cc1nc(N2CC[N@@H+]3CCCC[C@H]3C2)nc2cc(S(C)(=O)=O)ccc12 ZINC000244626644 526968479 /nfs/dbraw/zinc/96/84/79/526968479.db2.gz FPSQHFWDQYAHET-AWEZNQCLSA-N 1 2 360.483 2.016 50 0 FEAALO Cc1nc(N2CC[N@H+]3CCCC[C@H]3C2)nc2cc(S(C)(=O)=O)ccc12 ZINC000244626644 526968483 /nfs/dbraw/zinc/96/84/83/526968483.db2.gz FPSQHFWDQYAHET-AWEZNQCLSA-N 1 2 360.483 2.016 50 0 FEAALO Cc1nn(C)cc1C(=O)N1CCC[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000091391032 527689545 /nfs/dbraw/zinc/68/95/45/527689545.db2.gz CCSMFDYFSFABLM-KRWDZBQOSA-N 1 2 364.453 2.388 50 0 FEAALO CCc1nnc(C2CC[NH+](CC(=O)Nc3ccc(NC(C)=O)cc3)CC2)[nH]1 ZINC000190688064 548333019 /nfs/dbraw/zinc/33/30/19/548333019.db2.gz WDHVYSOKCXGERV-UHFFFAOYSA-N 1 2 370.457 2.144 50 0 FEAALO CCc1n[nH]c(C2CC[NH+](CC(=O)Nc3ccc(NC(C)=O)cc3)CC2)n1 ZINC000190688064 548333022 /nfs/dbraw/zinc/33/30/22/548333022.db2.gz WDHVYSOKCXGERV-UHFFFAOYSA-N 1 2 370.457 2.144 50 0 FEAALO CCc1nc(C2CC[NH+](CC(=O)Nc3ccc(NC(C)=O)cc3)CC2)n[nH]1 ZINC000190688064 548333025 /nfs/dbraw/zinc/33/30/25/548333025.db2.gz WDHVYSOKCXGERV-UHFFFAOYSA-N 1 2 370.457 2.144 50 0 FEAALO COc1ccc(S(=O)(=O)N2C[C@@H](n3cc[nH+]c3)Cc3ccccc32)cn1 ZINC000193035286 548377408 /nfs/dbraw/zinc/37/74/08/548377408.db2.gz UNLARKWYNLGKFL-HNNXBMFYSA-N 1 2 370.434 2.279 50 0 FEAALO O=S(=O)(NCc1cccnc1-n1cc[nH+]c1)c1c[nH]c2cccc(F)c21 ZINC000195082682 548575000 /nfs/dbraw/zinc/57/50/00/548575000.db2.gz SVNPVMPIBBMGKF-UHFFFAOYSA-N 1 2 371.397 2.366 50 0 FEAALO Cc1ccc(C)c(C[N@H+]2CCn3nc([C@@H](O)c4nccn4C)cc3C2)c1 ZINC000221227981 548703648 /nfs/dbraw/zinc/70/36/48/548703648.db2.gz SHIIRDWNLIAUQR-LJQANCHMSA-N 1 2 351.454 2.331 50 0 FEAALO Cc1ccc(C)c(C[N@@H+]2CCn3nc([C@@H](O)c4nccn4C)cc3C2)c1 ZINC000221227981 548703651 /nfs/dbraw/zinc/70/36/51/548703651.db2.gz SHIIRDWNLIAUQR-LJQANCHMSA-N 1 2 351.454 2.331 50 0 FEAALO Cn1c(C[NH+](C)C)nnc1[C@H]1C[C@@H](NC(=O)c2ccc3scnc3c2)C1 ZINC000222532259 548709166 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CCc1nc(SCC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)n[nH]1 ZINC000012777439 539573578 /nfs/dbraw/zinc/57/35/78/539573578.db2.gz JIWKJOIVJDOGNY-CQSZACIVSA-N 1 2 359.499 2.365 50 0 FEAALO CCc1n[nH]c(SCC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)n1 ZINC000012777439 539573584 /nfs/dbraw/zinc/57/35/84/539573584.db2.gz JIWKJOIVJDOGNY-CQSZACIVSA-N 1 2 359.499 2.365 50 0 FEAALO C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000012807896 539575169 /nfs/dbraw/zinc/57/51/69/539575169.db2.gz FCBBXGXMLLODBK-CQSZACIVSA-N 1 2 373.840 2.448 50 0 FEAALO C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000012807896 539575174 /nfs/dbraw/zinc/57/51/74/539575174.db2.gz FCBBXGXMLLODBK-CQSZACIVSA-N 1 2 373.840 2.448 50 0 FEAALO COc1ccccc1-c1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)[nH]n1 ZINC000013366656 539586760 /nfs/dbraw/zinc/58/67/60/539586760.db2.gz INCFTMBSVDXVOP-UHFFFAOYSA-N 1 2 363.421 2.443 50 0 FEAALO Cn1nc(C(=O)NC2CCCC2)c2c1CC[N@H+](Cc1cccc(O)c1)C2 ZINC000014744914 539605112 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O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1n[nH]c2ccccc21 ZINC000023958712 539723172 /nfs/dbraw/zinc/72/31/72/539723172.db2.gz HYGQHSOGCCTOSQ-UHFFFAOYSA-N 1 2 350.422 2.325 50 0 FEAALO O=S(=O)(NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1F ZINC000024014232 539723923 /nfs/dbraw/zinc/72/39/23/539723923.db2.gz BAGQNHHGMLRGKQ-UHFFFAOYSA-N 1 2 364.442 2.136 50 0 FEAALO Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CCN(C(=O)c3ccco3)CC2)c1 ZINC000025336238 539757196 /nfs/dbraw/zinc/75/71/96/539757196.db2.gz JWLGIWOGPXYFME-KRWDZBQOSA-N 1 2 358.438 2.094 50 0 FEAALO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C12CC3CC(CC(C3)C1)C2 ZINC000027566182 539810080 /nfs/dbraw/zinc/81/00/80/539810080.db2.gz RAHDGKQQMFVOKU-DDLCOGFTSA-N 1 2 361.530 2.260 50 0 FEAALO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1C(=O)N(C)C)C12CC3CC(CC(C3)C1)C2 ZINC000027566182 539810084 /nfs/dbraw/zinc/81/00/84/539810084.db2.gz RAHDGKQQMFVOKU-DDLCOGFTSA-N 1 2 361.530 2.260 50 0 FEAALO O=S(=O)(c1ccc2c(c1)CCO2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000032679005 539946727 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COc1cccc(CC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000038643353 205041232 /nfs/dbraw/zinc/04/12/32/205041232.db2.gz XIUQWTMPBRENHZ-KRWDZBQOSA-N 1 2 360.479 2.489 50 0 FEAALO COc1ccccc1CNC(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000036397093 205016194 /nfs/dbraw/zinc/01/61/94/205016194.db2.gz XUCYGERCPOSUTK-UHFFFAOYSA-N 1 2 358.442 2.327 50 0 FEAALO CC(C)(C)NC(=O)C[N@@H+]1CCCN(C(=O)CCCc2ccccc2)CC1 ZINC000040107452 205056137 /nfs/dbraw/zinc/05/61/37/205056137.db2.gz BYQAIYGWWSVMAZ-UHFFFAOYSA-N 1 2 359.514 2.458 50 0 FEAALO CC(C)(C)NC(=O)C[N@H+]1CCCN(C(=O)CCCc2ccccc2)CC1 ZINC000040107452 205056143 /nfs/dbraw/zinc/05/61/43/205056143.db2.gz BYQAIYGWWSVMAZ-UHFFFAOYSA-N 1 2 359.514 2.458 50 0 FEAALO CC(C)[C@@H](C)NC(=O)C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000040120321 205058011 /nfs/dbraw/zinc/05/80/11/205058011.db2.gz VMPKLASRUQADHI-VQIMIIECSA-N 1 2 357.498 2.196 50 0 FEAALO CC(C)[C@@H](C)NC(=O)C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000040120321 205058014 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FEAALO Cc1ccccc1-c1noc([C@H]2CCC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000092028300 542838746 /nfs/dbraw/zinc/83/87/46/542838746.db2.gz TVTIQNTXKPNJLM-INIZCTEOSA-N 1 2 370.453 2.083 50 0 FEAALO COC(=O)NC[C@@H](c1cccnc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000056896276 136127788 /nfs/dbraw/zinc/12/77/88/136127788.db2.gz YWYGGJBECOMBAM-SFHVURJKSA-N 1 2 358.417 2.440 50 0 FEAALO Cc1ccc(S(=O)(=O)NCC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000056997487 136128045 /nfs/dbraw/zinc/12/80/45/136128045.db2.gz GCCNFXMZJRFSNH-UHFFFAOYSA-N 1 2 365.524 2.157 50 0 FEAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)N1CCN(c2ccccc2)CC1 ZINC000057267268 136128215 /nfs/dbraw/zinc/12/82/15/136128215.db2.gz XSCLFFNRRJTXCH-UHFFFAOYSA-N 1 2 364.493 2.157 50 0 FEAALO CC(C)CCC(=O)N1CCN(C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000058281670 136131470 /nfs/dbraw/zinc/13/14/70/136131470.db2.gz OEYHMGXLICJPRT-SFHVURJKSA-N 1 2 372.513 2.405 50 0 FEAALO Cc1cc(-n2cc(C(=O)N3CCN(c4cccc[nH+]4)CC3)nn2)ccc1F ZINC000067263174 136137202 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Cc1nn(CC(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1Cl ZINC000095355208 542958265 /nfs/dbraw/zinc/95/82/65/542958265.db2.gz CQFWUMRAUCOQLR-UHFFFAOYSA-N 1 2 362.861 2.068 50 0 FEAALO Cc1[nH+]c[nH]c1CSCCNC(=O)c1cnc(-c2ccncc2)nc1 ZINC000095357830 542959421 /nfs/dbraw/zinc/95/94/21/542959421.db2.gz NXAJPETWEPYHBS-UHFFFAOYSA-N 1 2 354.439 2.233 50 0 FEAALO COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCCC3)C1 ZINC000095504927 542975838 /nfs/dbraw/zinc/97/58/38/542975838.db2.gz ALKIAXHCYOSDAQ-CQSZACIVSA-N 1 2 357.458 2.151 50 0 FEAALO O=C(c1cc[nH]c1)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CCC1 ZINC000095506584 542975948 /nfs/dbraw/zinc/97/59/48/542975948.db2.gz IRSFFSGYMRSZAG-UHFFFAOYSA-N 1 2 367.453 2.054 50 0 FEAALO CCn1ccnc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1c(C)noc1C ZINC000095512588 542977925 /nfs/dbraw/zinc/97/79/25/542977925.db2.gz YLCIPYGHPUWFRM-JKSUJKDBSA-N 1 2 357.458 2.131 50 0 FEAALO CCn1ccnc1C[N@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1c(C)noc1C ZINC000095512588 542977927 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ZINC000257192175 549715640 /nfs/dbraw/zinc/71/56/40/549715640.db2.gz STSHCRXVQUUTBP-AWEZNQCLSA-N 1 2 357.401 2.252 50 0 FEAALO COCCn1c(C)c[nH+]c1CO[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000257191285 549715856 /nfs/dbraw/zinc/71/58/56/549715856.db2.gz PURRSNBZLDFVKC-KRWDZBQOSA-N 1 2 358.442 2.054 50 0 FEAALO COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)C2CC[NH+](CC(F)F)CC2)c1 ZINC000285208266 551720642 /nfs/dbraw/zinc/72/06/42/551720642.db2.gz WYGYDYRQXYKZLX-WBVHZDCISA-N 1 2 368.424 2.307 50 0 FEAALO Cc1cccnc1C[NH+]1CCN(C(=O)Nc2cccc3n[nH]nc32)CC1 ZINC000299797952 553616438 /nfs/dbraw/zinc/61/64/38/553616438.db2.gz PNTANDAJDCEWPG-UHFFFAOYSA-N 1 2 351.414 2.011 50 0 FEAALO Cn1cc[nH+]c1-c1ccccc1C(=O)N[C@@H]1CCCN(c2cnccn2)C1 ZINC000426661895 559739769 /nfs/dbraw/zinc/73/97/69/559739769.db2.gz BAIIYVXLSFEDCB-OAHLLOKOSA-N 1 2 362.437 2.276 50 0 FEAALO Cc1ccc(CN(Cc2ccncc2)C(=O)NC[C@H]2C[N@H+](C)CCO2)s1 ZINC000534574464 562536989 /nfs/dbraw/zinc/53/69/89/562536989.db2.gz VAPWJGKTQDMLKK-KRWDZBQOSA-N 1 2 374.510 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/nfs/dbraw/zinc/86/00/85/570860085.db2.gz AJELSKVJHJZEHQ-LJQANCHMSA-N 1 2 371.481 2.173 50 0 FEAALO COc1ccc(C[N@H+]2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)cc1O ZINC000104461660 570860089 /nfs/dbraw/zinc/86/00/89/570860089.db2.gz AJELSKVJHJZEHQ-LJQANCHMSA-N 1 2 371.481 2.173 50 0 FEAALO CCCCc1[nH]c2ccc(NC(=O)c3ccc(=O)n(CCOC)n3)cc2[nH+]1 ZINC000048339893 570947922 /nfs/dbraw/zinc/94/79/22/570947922.db2.gz ANHCTBDWICFFBE-UHFFFAOYSA-N 1 2 369.425 2.361 50 0 FEAALO Cc1cccc(C2(NC(=O)c3coc(C[N@@H+]4CC[C@@H](O)C4)n3)CCC2)c1 ZINC000685941322 571100818 /nfs/dbraw/zinc/10/08/18/571100818.db2.gz AFIZYTCMFXAICS-MRXNPFEDSA-N 1 2 355.438 2.359 50 0 FEAALO Cc1cccc(C2(NC(=O)c3coc(C[N@H+]4CC[C@@H](O)C4)n3)CCC2)c1 ZINC000685941322 571100819 /nfs/dbraw/zinc/10/08/19/571100819.db2.gz AFIZYTCMFXAICS-MRXNPFEDSA-N 1 2 355.438 2.359 50 0 FEAALO O=C(NCC[NH+]1CCOCC1)c1cccc(-c2ccc3c(c2)OCO3)c1 ZINC000426428681 571224210 /nfs/dbraw/zinc/22/42/10/571224210.db2.gz AYVFUIOLAZSLLE-UHFFFAOYSA-N 1 2 354.406 2.144 50 0 FEAALO CCOC(=O)N1CC[NH+]([C@@H]2CCCN(C(=O)CC3CCCC3)C2)CC1 ZINC000023128646 670046524 /nfs/dbraw/zinc/04/65/24/670046524.db2.gz DDANYBPGHGNRHU-QGZVFWFLSA-N 1 2 351.491 2.332 50 0 FEAALO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+](C)CC(C)(CO)CO ZINC000135865456 672135912 /nfs/dbraw/zinc/13/59/12/672135912.db2.gz YWEIDNHOMNNRTC-GFCCVEGCSA-N 1 2 353.850 2.298 50 0 FEAALO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+](C)CC(C)(CO)CO ZINC000135865456 672135916 /nfs/dbraw/zinc/13/59/16/672135916.db2.gz YWEIDNHOMNNRTC-GFCCVEGCSA-N 1 2 353.850 2.298 50 0 FEAALO COc1cccc2cc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c(=O)oc21 ZINC000006679500 539434114 /nfs/dbraw/zinc/43/41/14/539434114.db2.gz LUCWHOSVEZMKHT-UHFFFAOYSA-N 1 2 365.389 2.159 50 0 FEAALO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@H+](C)CC(=O)N1CCOCC1 ZINC000007607560 539461588 /nfs/dbraw/zinc/46/15/88/539461588.db2.gz LMUFRBWZAKHWCT-NSHDSACASA-N 1 2 374.268 2.111 50 0 FEAALO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@@H+](C)CC(=O)N1CCOCC1 ZINC000007607560 539461595 /nfs/dbraw/zinc/46/15/95/539461595.db2.gz LMUFRBWZAKHWCT-NSHDSACASA-N 1 2 374.268 2.111 50 0 FEAALO O=C(c1cccs1)N1CCC[C@@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000007737001 539465951 /nfs/dbraw/zinc/46/59/51/539465951.db2.gz UYAVRSWKGFOTDE-OAHLLOKOSA-N 1 2 370.478 2.097 50 0 FEAALO O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000008314015 539483480 /nfs/dbraw/zinc/48/34/80/539483480.db2.gz GPTOYNHJIMXKAC-INIZCTEOSA-N 1 2 368.462 2.233 50 0 FEAALO Cn1ccnc1C(=O)[C@H]1CCC[N@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000012202726 539549352 /nfs/dbraw/zinc/54/93/52/539549352.db2.gz VQAFWLRFWJLLEQ-INIZCTEOSA-N 1 2 365.437 2.489 50 0 FEAALO Cn1ccnc1C(=O)[C@H]1CCC[N@@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000012202726 539549355 /nfs/dbraw/zinc/54/93/55/539549355.db2.gz VQAFWLRFWJLLEQ-INIZCTEOSA-N 1 2 365.437 2.489 50 0 FEAALO O=C(NCCCn1cc[nH+]c1)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000012300197 539552699 /nfs/dbraw/zinc/55/26/99/539552699.db2.gz AKGBHWWVQPGJJX-KRWDZBQOSA-N 1 2 372.444 2.010 50 0 FEAALO O=C(c1ccc(=O)[nH]c1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000012393189 539558199 /nfs/dbraw/zinc/55/81/99/539558199.db2.gz QWAOCNKIMKPUQI-UHFFFAOYSA-N 1 2 365.355 2.352 50 0 FEAALO CN(Cc1c[nH+]c2ccccn12)c1nc2nonc2nc1N1CCCCC1 ZINC000012444607 539560093 /nfs/dbraw/zinc/56/00/93/539560093.db2.gz WWFAAXXOFFMYGA-UHFFFAOYSA-N 1 2 364.413 2.287 50 0 FEAALO Cc1cc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)n2ncnc2n1 ZINC000012814994 539575822 /nfs/dbraw/zinc/57/58/22/539575822.db2.gz WWGRXUMRLDWEDJ-UHFFFAOYSA-N 1 2 365.466 2.365 50 0 FEAALO Cc1cccc(C[NH+]2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)c1 ZINC000012948858 539580214 /nfs/dbraw/zinc/58/02/14/539580214.db2.gz LEFDXPAPWALQHA-UHFFFAOYSA-N 1 2 351.516 2.089 50 0 FEAALO c1nc2sc3c(c2c2nnc(SCC[NH+]4CCOCC4)n12)CCC3 ZINC000013691854 539590293 /nfs/dbraw/zinc/59/02/93/539590293.db2.gz YODXCGIBJVVZAQ-UHFFFAOYSA-N 1 2 361.496 2.252 50 0 FEAALO O=C(c1cn(CC2CCCCC2)nn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000014967361 539608178 /nfs/dbraw/zinc/60/81/78/539608178.db2.gz UXYOSMYYUMMXMQ-UHFFFAOYSA-N 1 2 354.458 2.216 50 0 FEAALO COc1ccccc1-c1noc(C[NH+]2CCN(c3ccccn3)CC2)n1 ZINC000015403674 539616968 /nfs/dbraw/zinc/61/69/68/539616968.db2.gz ULTHUAUHWRHXJI-UHFFFAOYSA-N 1 2 351.410 2.462 50 0 FEAALO Cn1cc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc2c1=O ZINC000015680458 539621585 /nfs/dbraw/zinc/62/15/85/539621585.db2.gz QMLYUOFBSLZCPP-UHFFFAOYSA-N 1 2 363.421 2.288 50 0 FEAALO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000016483571 539632875 /nfs/dbraw/zinc/63/28/75/539632875.db2.gz XZVGFQSULPFIER-UHFFFAOYSA-N 1 2 367.471 2.003 50 0 FEAALO COc1ccc(OC)c(NC(=O)C[N@H+](C)C[C@@H]2COc3ccccc3O2)c1 ZINC000016628708 539633927 /nfs/dbraw/zinc/63/39/27/539633927.db2.gz HXAPMWMZYUSHKD-OAHLLOKOSA-N 1 2 372.421 2.414 50 0 FEAALO COc1ccc(OC)c(NC(=O)C[N@@H+](C)C[C@@H]2COc3ccccc3O2)c1 ZINC000016628708 539633929 /nfs/dbraw/zinc/63/39/29/539633929.db2.gz HXAPMWMZYUSHKD-OAHLLOKOSA-N 1 2 372.421 2.414 50 0 FEAALO COc1cc(CN2CC[NH+](Cc3ccncc3)CC2)cc(OC)c1OC ZINC000019359452 539655854 /nfs/dbraw/zinc/65/58/54/539655854.db2.gz JVIHKMDIUYTWAE-UHFFFAOYSA-N 1 2 357.454 2.425 50 0 FEAALO COc1cc(C[NH+]2CCN(Cc3ccncc3)CC2)cc(OC)c1OC ZINC000019359452 539655858 /nfs/dbraw/zinc/65/58/58/539655858.db2.gz JVIHKMDIUYTWAE-UHFFFAOYSA-N 1 2 357.454 2.425 50 0 FEAALO O=C1O[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2ccccc21 ZINC000019359506 539656364 /nfs/dbraw/zinc/65/63/64/539656364.db2.gz SEDKWJLTQOQURF-IBGZPJMESA-N 1 2 352.390 2.402 50 0 FEAALO COc1ccc(CNC(=O)[C@H](C)[NH+]2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000021131089 539680685 /nfs/dbraw/zinc/68/06/85/539680685.db2.gz SVPGXAPAVKFBCM-INIZCTEOSA-N 1 2 369.465 2.228 50 0 FEAALO Cc1nc2n(n1)C(=O)C([C@@H](c1ccc(F)cc1)[NH+]1CCC(O)CC1)S2 ZINC000023157464 539708250 /nfs/dbraw/zinc/70/82/50/539708250.db2.gz WLWTXSXUYFQJLW-CQSZACIVSA-N 1 2 362.430 2.490 50 0 FEAALO Cc1ccc(C)c(S(=O)(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1 ZINC000023388066 539713230 /nfs/dbraw/zinc/71/32/30/539713230.db2.gz MLFQAVLHEPBDRT-LJQANCHMSA-N 1 2 374.506 2.343 50 0 FEAALO Cc1ccc(C(=O)NCC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1C ZINC000023736770 539720157 /nfs/dbraw/zinc/72/01/57/539720157.db2.gz IRSGEHDWXUXIRJ-UHFFFAOYSA-N 1 2 371.506 2.439 50 0 FEAALO CCOC(=O)C1=C(C[N@H+](C)[C@H](C)c2ccc(F)c(F)c2)NC(=O)N[C@@H]1C ZINC000024250452 539729087 /nfs/dbraw/zinc/72/90/87/539729087.db2.gz UROXXZZWNLGITJ-GHMZBOCLSA-N 1 2 367.396 2.476 50 0 FEAALO CCOC(=O)C1=C(C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)NC(=O)N[C@@H]1C ZINC000024250452 539729089 /nfs/dbraw/zinc/72/90/89/539729089.db2.gz UROXXZZWNLGITJ-GHMZBOCLSA-N 1 2 367.396 2.476 50 0 FEAALO Cc1ccc(C)n1CC[NH+]1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000025140157 539749691 /nfs/dbraw/zinc/74/96/91/539749691.db2.gz JRMJLEZJNBLHMW-UHFFFAOYSA-N 1 2 361.511 2.420 50 0 FEAALO O=C(Cc1ccccc1)NCCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000025397551 539759099 /nfs/dbraw/zinc/75/90/99/539759099.db2.gz DJQFKGFCJUWFIL-UHFFFAOYSA-N 1 2 371.506 2.141 50 0 FEAALO C[C@@H](CC(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)n1cc[nH+]c1 ZINC000025572568 539763846 /nfs/dbraw/zinc/76/38/46/539763846.db2.gz VGJXJRNHYVLETH-YJBOKZPZSA-N 1 2 360.433 2.163 50 0 FEAALO COc1ccc(NC(=O)N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)cc1 ZINC000040067705 540005165 /nfs/dbraw/zinc/00/51/65/540005165.db2.gz PBOWWZYTGOCALC-INIZCTEOSA-N 1 2 374.485 2.246 50 0 FEAALO Cc1nc(CSCC(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000040087307 540005814 /nfs/dbraw/zinc/00/58/14/540005814.db2.gz HREUTQOEEYKBQP-YNEHKIRRSA-N 1 2 357.545 2.299 50 0 FEAALO COc1ccc(C[NH+]2CCN(c3nnnn3-c3ccccc3)CC2)cc1F ZINC000058160805 540830579 /nfs/dbraw/zinc/83/05/79/540830579.db2.gz GSYQEYYPQJHHKC-UHFFFAOYSA-N 1 2 368.416 2.132 50 0 FEAALO Cc1ccc(C2(O)CCN(C(=O)c3ccc(Cn4cc[nH+]c4)o3)CC2)nc1 ZINC000067872884 541523645 /nfs/dbraw/zinc/52/36/45/541523645.db2.gz XFWZWUSLQXOKSA-UHFFFAOYSA-N 1 2 366.421 2.352 50 0 FEAALO O=C(C1=COCCC1)N1CC[NH+](CCOc2ccc3c(c2)CCC3)CC1 ZINC000069791803 541713569 /nfs/dbraw/zinc/71/35/69/541713569.db2.gz IFAZFVOQHYSQMH-UHFFFAOYSA-N 1 2 356.466 2.393 50 0 FEAALO CC(=O)N1CCc2c([nH+]c(N(C)C)nc2N(C)Cc2[nH]nc3c2CCC3)C1 ZINC000071415735 541767452 /nfs/dbraw/zinc/76/74/52/541767452.db2.gz YCZNKSNPIMMMAL-KRWDZBQOSA-N 1 2 369.473 2.156 50 0 FEAALO CC(=O)N1CCc2c([nH+]c(N(C)C)nc2N(C)Cc2[nH]nc3c2CCC3)C1 ZINC000071415734 541767810 /nfs/dbraw/zinc/76/78/10/541767810.db2.gz YCZNKSNPIMMMAL-QGZVFWFLSA-N 1 2 369.473 2.156 50 0 FEAALO CC(C)[C@H]1CN(c2cc(N)nc[nH+]2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071753769 541770678 /nfs/dbraw/zinc/77/06/78/541770678.db2.gz CWNDEZZQFUMXKF-MRXNPFEDSA-N 1 2 357.433 2.461 50 0 FEAALO Cc1[nH+]cn(-c2cc(NCCNC(=O)c3ccc(F)cc3)ncn2)c1C ZINC000072119353 541784492 /nfs/dbraw/zinc/78/44/92/541784492.db2.gz SCNNQNMUOCOYPE-UHFFFAOYSA-N 1 2 354.389 2.260 50 0 FEAALO NC(=O)c1noc(C[N@@H+]2CCC[C@H](CCc3ccc(F)cc3F)C2)n1 ZINC000072167596 541794398 /nfs/dbraw/zinc/79/43/98/541794398.db2.gz IZKDWXWAHKCNQZ-LLVKDONJSA-N 1 2 350.369 2.292 50 0 FEAALO NC(=O)c1noc(C[N@H+]2CCC[C@H](CCc3ccc(F)cc3F)C2)n1 ZINC000072167596 541794401 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FEAALO COC(=O)c1c(C)nc(C(C)(C)C)nc1SCC[NH+]1CCOCC1 ZINC000012773416 539573936 /nfs/dbraw/zinc/57/39/36/539573936.db2.gz DMSWQTLPGYBTTA-UHFFFAOYSA-N 1 2 353.488 2.293 50 0 FEAALO O=C(c1n[nH]c(=O)c2ccccc21)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000015742406 539622315 /nfs/dbraw/zinc/62/23/15/539622315.db2.gz AXGACCJXPQBRBE-UHFFFAOYSA-N 1 2 366.396 2.020 50 0 FEAALO CC(C)C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000018250310 539648745 /nfs/dbraw/zinc/64/87/45/539648745.db2.gz FFCXIAQEBGGPOG-MRXNPFEDSA-N 1 2 370.453 2.168 50 0 FEAALO COC(=O)c1ccc(N2C(=O)C[C@@H](Nc3ccc([NH+](C)C)cc3)C2=O)cc1 ZINC000017877521 539644792 /nfs/dbraw/zinc/64/47/92/539644792.db2.gz IHQAZLYYUKBKKE-QGZVFWFLSA-N 1 2 367.405 2.283 50 0 FEAALO O=S(=O)(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000019336135 539654745 /nfs/dbraw/zinc/65/47/45/539654745.db2.gz AYQCZQKMGKDZPS-CVEARBPZSA-N 1 2 358.891 2.262 50 0 in-vitro FEAALO CCOC(=O)C1C(C[NH+]2CCCCC2)=NC(=O)N[C@H]1c1cccc(F)c1 ZINC000019530275 539659162 /nfs/dbraw/zinc/65/91/62/539659162.db2.gz KEEIFDHKAAPMCU-KRWDZBQOSA-N 1 2 361.417 2.483 50 0 FEAALO CCCn1c(=O)c2ccc(C(=O)NCC[NH+](CC)CC)cc2[nH]c1=S ZINC000020645260 539677004 /nfs/dbraw/zinc/67/70/04/539677004.db2.gz OPXLNLIEYIQNKP-UHFFFAOYSA-N 1 2 362.499 2.167 50 0 FEAALO CCOC(=O)C1=C(Cn2cc[nH+]c2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020214150 539673301 /nfs/dbraw/zinc/67/33/01/539673301.db2.gz YNXFMXJFJXBLFN-HNNXBMFYSA-N 1 2 360.801 2.408 50 0 FEAALO CCOC(=O)C1C(Cn2cc[nH+]c2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020214150 539673304 /nfs/dbraw/zinc/67/33/04/539673304.db2.gz YNXFMXJFJXBLFN-HNNXBMFYSA-N 1 2 360.801 2.408 50 0 FEAALO C[N@@H+]1CCc2c(sc3c2c(NCCc2ccccc2)nc2nnnn23)C1 ZINC000020503410 539675102 /nfs/dbraw/zinc/67/51/02/539675102.db2.gz KVQVSTJHTUTDBD-UHFFFAOYSA-N 1 2 365.466 2.377 50 0 FEAALO C[N@H+]1CCc2c(sc3c2c(NCCc2ccccc2)nc2nnnn23)C1 ZINC000020503410 539675106 /nfs/dbraw/zinc/67/51/06/539675106.db2.gz KVQVSTJHTUTDBD-UHFFFAOYSA-N 1 2 365.466 2.377 50 0 FEAALO O=C(CN1CC[NH+](Cc2ccccc2F)CC1)Nc1cccc2nonc21 ZINC000022752266 539698914 /nfs/dbraw/zinc/69/89/14/539698914.db2.gz MMSOOTUVDKKQSZ-UHFFFAOYSA-N 1 2 369.400 2.118 50 0 FEAALO Nc1nc(NCCc2cc(=O)[nH]cn2)cc(Sc2ccc(F)cc2)[nH+]1 ZINC000023214850 539709122 /nfs/dbraw/zinc/70/91/22/539709122.db2.gz ZDDQJKGYNSJSFM-UHFFFAOYSA-N 1 2 358.402 2.087 50 0 FEAALO COc1ccccc1C[N@H+](CC(=O)N1CCNC1=O)Cc1cccs1 ZINC000025393594 539758602 /nfs/dbraw/zinc/75/86/02/539758602.db2.gz VVOQEGHTXAQHAN-UHFFFAOYSA-N 1 2 359.451 2.311 50 0 FEAALO COc1ccccc1C[N@@H+](CC(=O)N1CCNC1=O)Cc1cccs1 ZINC000025393594 539758607 /nfs/dbraw/zinc/75/86/07/539758607.db2.gz VVOQEGHTXAQHAN-UHFFFAOYSA-N 1 2 359.451 2.311 50 0 FEAALO COc1cc(OC)cc(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1 ZINC000028922507 539839803 /nfs/dbraw/zinc/83/98/03/539839803.db2.gz DFSUUDVBRHCLSG-HXUWFJFHSA-N 1 2 370.449 2.195 50 0 FEAALO Cc1cccc([C@H](CNc2cnn(C)c(=O)c2Cl)[NH+]2CCOCC2)c1 ZINC000029626765 539859135 /nfs/dbraw/zinc/85/91/35/539859135.db2.gz KBVIHDADALUWMJ-INIZCTEOSA-N 1 2 362.861 2.228 50 0 FEAALO COC(=O)c1cccc(NC(=O)C[N@H+](C)C[C@H]2COc3ccccc3O2)c1 ZINC000031183550 539900308 /nfs/dbraw/zinc/90/03/08/539900308.db2.gz SOZMTNFURVZVBM-INIZCTEOSA-N 1 2 370.405 2.184 50 0 FEAALO COC(=O)c1cccc(NC(=O)C[N@@H+](C)C[C@H]2COc3ccccc3O2)c1 ZINC000031183550 539900311 /nfs/dbraw/zinc/90/03/11/539900311.db2.gz SOZMTNFURVZVBM-INIZCTEOSA-N 1 2 370.405 2.184 50 0 FEAALO COc1ccc(OC)c(C[NH+]2CCN(c3cc(Cl)nc(N)n3)CC2)c1 ZINC000032778791 539952656 /nfs/dbraw/zinc/95/26/56/539952656.db2.gz NNTGBBQEDFGPFY-UHFFFAOYSA-N 1 2 363.849 2.052 50 0 FEAALO O=S(=O)(c1ccccc1Cl)N1CC[NH+](CCc2ccccn2)CC1 ZINC000035334242 539980365 /nfs/dbraw/zinc/98/03/65/539980365.db2.gz RDXIQYYCTHHSPG-UHFFFAOYSA-N 1 2 365.886 2.284 50 0 FEAALO Cn1cc[nH+]c1[C@@H](NC(=O)CCN1CCSC1=O)c1ccccc1F ZINC000040013281 540003771 /nfs/dbraw/zinc/00/37/71/540003771.db2.gz BUVQSVUAKALGIE-HNNXBMFYSA-N 1 2 362.430 2.324 50 0 FEAALO COC[C@@H](NC(=O)Cn1c2ccccc2[nH+]c1C(C)C)c1ccnn1C ZINC000243893604 222922899 /nfs/dbraw/zinc/92/28/99/222922899.db2.gz ASSBCJLIELJITD-OAHLLOKOSA-N 1 2 355.442 2.397 50 0 FEAALO CCCOc1ccc(C[NH+]2CCN(C(=O)Cc3cccnc3)CC2)cn1 ZINC000065267569 541231732 /nfs/dbraw/zinc/23/17/32/541231732.db2.gz BSUVABCLLMGAJL-UHFFFAOYSA-N 1 2 354.454 2.152 50 0 FEAALO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000068464493 541595533 /nfs/dbraw/zinc/59/55/33/541595533.db2.gz RCXIWHDYCVXNSH-INIZCTEOSA-N 1 2 363.889 2.218 50 0 FEAALO NC(=O)C[N@H+]1CCC[C@H](NC(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000068464493 541595537 /nfs/dbraw/zinc/59/55/37/541595537.db2.gz RCXIWHDYCVXNSH-INIZCTEOSA-N 1 2 363.889 2.218 50 0 FEAALO CC[N@H+](Cc1cnn(C)c1)Cc1nc(-c2ccc(C(=O)OC)cc2)no1 ZINC000072125601 541784680 /nfs/dbraw/zinc/78/46/80/541784680.db2.gz JPBIPNQPKACIRI-UHFFFAOYSA-N 1 2 355.398 2.279 50 0 FEAALO CC[N@@H+](Cc1cnn(C)c1)Cc1nc(-c2ccc(C(=O)OC)cc2)no1 ZINC000072125601 541784684 /nfs/dbraw/zinc/78/46/84/541784684.db2.gz JPBIPNQPKACIRI-UHFFFAOYSA-N 1 2 355.398 2.279 50 0 FEAALO CCOc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)N2CCCCCC2)cc1 ZINC000072150831 541789691 /nfs/dbraw/zinc/78/96/91/541789691.db2.gz ULYVBNURGCRQNX-LJQANCHMSA-N 1 2 373.497 2.178 50 0 FEAALO CCOc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)N2CCCCCC2)cc1 ZINC000072150831 541789692 /nfs/dbraw/zinc/78/96/92/541789692.db2.gz ULYVBNURGCRQNX-LJQANCHMSA-N 1 2 373.497 2.178 50 0 FEAALO COc1ccccc1/C=C/C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)CC(C)C ZINC000072170165 541794750 /nfs/dbraw/zinc/79/47/50/541794750.db2.gz GRKJCVRIDJCXDP-KOEDOTQGSA-N 1 2 373.497 2.013 50 0 FEAALO COc1ccccc1/C=C/C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)CC(C)C ZINC000072170165 541794751 /nfs/dbraw/zinc/79/47/51/541794751.db2.gz GRKJCVRIDJCXDP-KOEDOTQGSA-N 1 2 373.497 2.013 50 0 FEAALO COc1ccc(C[N@@H+]2CCN(C(=O)c3ccccn3)C[C@H]2CCO)cc1C ZINC000072410244 541806952 /nfs/dbraw/zinc/80/69/52/541806952.db2.gz YEQXSHOXTPJLAP-GOSISDBHSA-N 1 2 369.465 2.108 50 0 FEAALO COc1ccc(C[N@H+]2CCN(C(=O)c3ccccn3)C[C@H]2CCO)cc1C ZINC000072410244 541806955 /nfs/dbraw/zinc/80/69/55/541806955.db2.gz YEQXSHOXTPJLAP-GOSISDBHSA-N 1 2 369.465 2.108 50 0 FEAALO O=C1OC2(CN1CCOc1ccccc1)CC[NH+](Cc1ncc[nH]1)CC2 ZINC000072479088 541821082 /nfs/dbraw/zinc/82/10/82/541821082.db2.gz BUQXNRFMTQRYKM-UHFFFAOYSA-N 1 2 356.426 2.276 50 0 FEAALO O=C([O-])C1(n2cc[nH+]c2)CC[NH+](Cc2cccn2-c2ccccn2)CC1 ZINC000072477738 541820564 /nfs/dbraw/zinc/82/05/64/541820564.db2.gz NIDLVHFIMRTQMR-UHFFFAOYSA-N 1 2 351.410 2.145 50 0 FEAALO CC(C)(COC(=O)CN1CCCCC1)COC(=O)C[NH+]1CCCCC1 ZINC000004094056 204120977 /nfs/dbraw/zinc/12/09/77/204120977.db2.gz LWHVJUAZMLPIAN-UHFFFAOYSA-N 1 2 354.491 2.071 50 0 FEAALO O=C(Cc1cc(-c2ccc3c(c2)OCO3)on1)NCCCn1cc[nH+]c1 ZINC000035592717 204322346 /nfs/dbraw/zinc/32/23/46/204322346.db2.gz PUEWRDTWRGRHRY-UHFFFAOYSA-N 1 2 354.366 2.016 50 0 FEAALO C[C@H](C(=O)Nc1sccc1C(N)=O)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000009112380 204353776 /nfs/dbraw/zinc/35/37/76/204353776.db2.gz VHXUASDUEKRCHO-SNVBAGLBSA-N 1 2 361.423 2.035 50 0 FEAALO C[C@H](C(=O)Nc1sccc1C(N)=O)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000009112380 204353779 /nfs/dbraw/zinc/35/37/79/204353779.db2.gz VHXUASDUEKRCHO-SNVBAGLBSA-N 1 2 361.423 2.035 50 0 FEAALO O=S(=O)(NCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000036700248 204383525 /nfs/dbraw/zinc/38/35/25/204383525.db2.gz VAHVFCKVAMGJDK-LJQANCHMSA-N 1 2 360.479 2.429 50 0 FEAALO O=S(=O)(NCCC[N@H+]1CCO[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000036700248 204383530 /nfs/dbraw/zinc/38/35/30/204383530.db2.gz VAHVFCKVAMGJDK-LJQANCHMSA-N 1 2 360.479 2.429 50 0 FEAALO CCN(CC)S(=O)(=O)c1ccc(CNc2[nH+]cnc3c2cnn3C)cc1 ZINC000012913876 204508767 /nfs/dbraw/zinc/50/87/67/204508767.db2.gz KZYXHHQXACAQEU-UHFFFAOYSA-N 1 2 374.470 2.006 50 0 FEAALO CC(C)(C)NC(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000040030767 205050145 /nfs/dbraw/zinc/05/01/45/205050145.db2.gz OYHOAHUEEBYYDK-UHFFFAOYSA-N 1 2 351.878 2.403 50 0 FEAALO CC(C)(C)NC(=O)C[N@H+]1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000040030767 205050146 /nfs/dbraw/zinc/05/01/46/205050146.db2.gz 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Cc1nc2cc(C(=O)N3CC[N@H+](Cc4ccco4)[C@@H](CCO)C3)ccc2[nH]1 ZINC000055383189 205215603 /nfs/dbraw/zinc/21/56/03/205215603.db2.gz JHCUGZIOBQEFLM-INIZCTEOSA-N 1 2 368.437 2.173 50 0 FEAALO Cc1nc2cc(C(=O)N3CC[N@@H+](Cc4ccco4)[C@@H](CCO)C3)ccc2[nH]1 ZINC000055383189 205215607 /nfs/dbraw/zinc/21/56/07/205215607.db2.gz JHCUGZIOBQEFLM-INIZCTEOSA-N 1 2 368.437 2.173 50 0 FEAALO CCCCNC(=O)NC(=O)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000057352187 205236932 /nfs/dbraw/zinc/23/69/32/205236932.db2.gz ZMSDXIMDRKVRDY-AWEZNQCLSA-N 1 2 353.488 2.355 50 0 FEAALO CCCCNC(=O)NC(=O)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000057352187 205236937 /nfs/dbraw/zinc/23/69/37/205236937.db2.gz ZMSDXIMDRKVRDY-AWEZNQCLSA-N 1 2 353.488 2.355 50 0 FEAALO Cc1ccc(C)c(OC2CC[NH+](Cc3nc(N)nc(N(C)C)n3)CC2)c1 ZINC000058182829 205255366 /nfs/dbraw/zinc/25/53/66/205255366.db2.gz LPUDUPQOYCKSPW-UHFFFAOYSA-N 1 2 356.474 2.180 50 0 FEAALO O=C(CC[N@@H+]1CCO[C@@H](c2cccc(Br)c2)C1)NC1CC1 ZINC000058246529 205267283 /nfs/dbraw/zinc/26/72/83/205267283.db2.gz UKSPJDJUCBXYAM-OAHLLOKOSA-N 1 2 353.260 2.491 50 0 FEAALO O=C(CC[N@H+]1CCO[C@@H](c2cccc(Br)c2)C1)NC1CC1 ZINC000058246529 205267287 /nfs/dbraw/zinc/26/72/87/205267287.db2.gz UKSPJDJUCBXYAM-OAHLLOKOSA-N 1 2 353.260 2.491 50 0 FEAALO CCS(=O)(=O)c1ccccc1C(=O)N1CC[NH+](CCC(C)C)CC1 ZINC000059060584 205280793 /nfs/dbraw/zinc/28/07/93/205280793.db2.gz VLIVTRRVNNSUIA-UHFFFAOYSA-N 1 2 352.500 2.284 50 0 FEAALO O=C(CCc1cc[nH+]c(N2CCOCC2)c1)NCc1cc(F)ccc1F ZINC000065269864 205332576 /nfs/dbraw/zinc/33/25/76/205332576.db2.gz CHPREVCQKTZKRL-UHFFFAOYSA-N 1 2 361.392 2.445 50 0 FEAALO Cc1ccccc1CNC(=O)Cn1ncc2c1nc[nH+]c2N1CCCC1 ZINC000065294994 205336066 /nfs/dbraw/zinc/33/60/66/205336066.db2.gz HSNBBVMNECRFFI-UHFFFAOYSA-N 1 2 350.426 2.051 50 0 FEAALO CC(C)Cn1ncc2c1NC(=O)C[C@@H]2c1ccc[nH+]c1N1CCOCC1 ZINC000065386776 205343342 /nfs/dbraw/zinc/34/33/42/205343342.db2.gz WTBKZENJKCLLBY-OAHLLOKOSA-N 1 2 355.442 2.245 50 0 FEAALO Cc1ccc(Sc2cc(N3Cc4cnn(CCO)c4C3)nc(N)[nH+]2)cc1 ZINC000067515527 205375518 /nfs/dbraw/zinc/37/55/18/205375518.db2.gz WZJIHMKYYYJXLQ-UHFFFAOYSA-N 1 2 368.466 2.227 50 0 FEAALO Cc1nnsc1C[N@@H+](C)Cc1cccc(C(=O)Nc2cnn(C)c2)c1 ZINC000067654544 205380261 /nfs/dbraw/zinc/38/02/61/205380261.db2.gz ROYDWDIJIMKCFG-UHFFFAOYSA-N 1 2 356.455 2.464 50 0 FEAALO Cc1nnsc1C[N@H+](C)Cc1cccc(C(=O)Nc2cnn(C)c2)c1 ZINC000067654544 205380266 /nfs/dbraw/zinc/38/02/66/205380266.db2.gz ROYDWDIJIMKCFG-UHFFFAOYSA-N 1 2 356.455 2.464 50 0 FEAALO COC(=O)Cc1cc(C2CC[NH+](Cc3[nH]nc(C)c3Cl)CC2)n[nH]1 ZINC000067714538 205385322 /nfs/dbraw/zinc/38/53/22/205385322.db2.gz RTURYBKSPDIQRD-UHFFFAOYSA-N 1 2 351.838 2.190 50 0 FEAALO O=C(c1cccc(N2CCNC2=O)c1)N1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000077505050 205608430 /nfs/dbraw/zinc/60/84/30/205608430.db2.gz JJMQBKAUVMEUKG-QGZVFWFLSA-N 1 2 367.453 2.498 50 0 FEAALO Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000095376292 205741166 /nfs/dbraw/zinc/74/11/66/205741166.db2.gz AUXNUDJJAXHKDT-KRWDZBQOSA-N 1 2 364.453 2.009 50 0 FEAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)NCCc1ccc(OC)cc1 ZINC000106110726 206012918 /nfs/dbraw/zinc/01/29/18/206012918.db2.gz GPAFMBNSVUMKLE-NEWSRXKRSA-N 1 2 374.481 2.160 50 0 FEAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)NCCc1ccc(OC)cc1 ZINC000106110726 206012923 /nfs/dbraw/zinc/01/29/23/206012923.db2.gz GPAFMBNSVUMKLE-NEWSRXKRSA-N 1 2 374.481 2.160 50 0 FEAALO O=C(c1ccc2nsnc2c1)N1CC[NH+](C[C@H](O)c2cccs2)CC1 ZINC000049031250 206087450 /nfs/dbraw/zinc/08/74/50/206087450.db2.gz XSNBCAXEMQFVII-HNNXBMFYSA-N 1 2 374.491 2.244 50 0 FEAALO C[N@@H+]1CCc2c(sc(NC(=O)CCOc3ccccc3)c2C(N)=O)C1 ZINC000004087253 206166145 /nfs/dbraw/zinc/16/61/45/206166145.db2.gz LDSMOPONQDFXSB-UHFFFAOYSA-N 1 2 359.451 2.243 50 0 FEAALO C[N@H+]1CCc2c(sc(NC(=O)CCOc3ccccc3)c2C(N)=O)C1 ZINC000004087253 206166149 /nfs/dbraw/zinc/16/61/49/206166149.db2.gz LDSMOPONQDFXSB-UHFFFAOYSA-N 1 2 359.451 2.243 50 0 FEAALO C[C@@H](C(=O)NCc1ccc(N(C)C)[nH+]c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000170600185 206270890 /nfs/dbraw/zinc/27/08/90/206270890.db2.gz MEVZZTMYMQISNJ-CYBMUJFWSA-N 1 2 362.474 2.267 50 0 FEAALO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+](C)Cc2ccsc2)c1C ZINC000014095265 206308069 /nfs/dbraw/zinc/30/80/69/206308069.db2.gz VRWTZDFNGSWODT-UHFFFAOYSA-N 1 2 367.496 2.083 50 0 FEAALO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+](C)Cc2ccsc2)c1C ZINC000014095265 206308074 /nfs/dbraw/zinc/30/80/74/206308074.db2.gz VRWTZDFNGSWODT-UHFFFAOYSA-N 1 2 367.496 2.083 50 0 FEAALO CC(C)(CNC(=O)c1ccc(F)cc1Br)[NH+]1CCOCC1 ZINC000014246521 206310925 /nfs/dbraw/zinc/31/09/25/206310925.db2.gz VXWWPCPUIIOSJS-UHFFFAOYSA-N 1 2 359.239 2.429 50 0 FEAALO CCOC(=O)c1cc(CC)sc1NC(=O)C[N@H+](C)Cc1cnn(C)c1 ZINC000017074962 206322115 /nfs/dbraw/zinc/32/21/15/206322115.db2.gz OMHQTVIGASOAIA-UHFFFAOYSA-N 1 2 364.471 2.291 50 0 FEAALO CCOC(=O)c1cc(CC)sc1NC(=O)C[N@@H+](C)Cc1cnn(C)c1 ZINC000017074962 206322118 /nfs/dbraw/zinc/32/21/18/206322118.db2.gz OMHQTVIGASOAIA-UHFFFAOYSA-N 1 2 364.471 2.291 50 0 FEAALO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nnc(C)n2Cc2ccccc2)CC1 ZINC000021128686 206352127 /nfs/dbraw/zinc/35/21/27/206352127.db2.gz ZLWLUNKFFYENCJ-HNNXBMFYSA-N 1 2 373.526 2.280 50 0 FEAALO COc1cccc2c1OCC(C[NH+]1CCN(C(=O)c3ccc[nH]3)CC1)=C2 ZINC000216084866 206353079 /nfs/dbraw/zinc/35/30/79/206353079.db2.gz CFVYYLPCLUWWSI-UHFFFAOYSA-N 1 2 353.422 2.257 50 0 FEAALO COc1ccc(-n2cccn2)c(C[NH+]2CCN(C(=O)c3ccc[nH]3)CC2)c1 ZINC000216353369 206357308 /nfs/dbraw/zinc/35/73/08/206357308.db2.gz NJWSIGSSKFKSLC-UHFFFAOYSA-N 1 2 365.437 2.167 50 0 FEAALO C[C@@H](O)CNc1[nH+]c2ccccc2n1CC(=O)N1CCc2sccc2C1 ZINC000022020240 206366338 /nfs/dbraw/zinc/36/63/38/206366338.db2.gz CLRPYGNKUXXEPW-CYBMUJFWSA-N 1 2 370.478 2.475 50 0 FEAALO C[N@@H+]1CCN(C(=O)c2cc3c([nH]c2=O)CCCC3=O)[C@@H](c2ccccc2)C1 ZINC000023010511 206397087 /nfs/dbraw/zinc/39/70/87/206397087.db2.gz HWFZZZPPQSFOOZ-GOSISDBHSA-N 1 2 365.433 2.023 50 0 FEAALO C[N@H+]1CCN(C(=O)c2cc3c([nH]c2=O)CCCC3=O)[C@@H](c2ccccc2)C1 ZINC000023010511 206397089 /nfs/dbraw/zinc/39/70/89/206397089.db2.gz HWFZZZPPQSFOOZ-GOSISDBHSA-N 1 2 365.433 2.023 50 0 FEAALO Cn1c(C[NH+]2CCCC2)nnc1C1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000077338269 542368391 /nfs/dbraw/zinc/36/83/91/542368391.db2.gz MGTMJPDTNBCUAE-UHFFFAOYSA-N 1 2 369.469 2.136 50 0 FEAALO CCOc1ccc(C(=O)N2CCC[C@H](c3nnc(C[NH+](C)C)n3C)C2)cc1 ZINC000077376607 542374738 /nfs/dbraw/zinc/37/47/38/542374738.db2.gz DTOINYQQQJGLAB-INIZCTEOSA-N 1 2 371.485 2.295 50 0 FEAALO CCOc1ccccc1CN1CC[N@H+](Cc2cn(C)nc2C)C[C@@H]1CCO ZINC000077383571 542375873 /nfs/dbraw/zinc/37/58/73/542375873.db2.gz LTBFVLGWKSQPTN-FQEVSTJZSA-N 1 2 372.513 2.196 50 0 FEAALO CCOc1ccccc1CN1CC[N@@H+](Cc2cn(C)nc2C)C[C@@H]1CCO ZINC000077383571 542375877 /nfs/dbraw/zinc/37/58/77/542375877.db2.gz LTBFVLGWKSQPTN-FQEVSTJZSA-N 1 2 372.513 2.196 50 0 FEAALO CC[C@H](C(=O)N1CCC(Oc2ccccc2OC)CC1)[NH+]1CCOCC1 ZINC000077421687 542380198 /nfs/dbraw/zinc/38/01/98/542380198.db2.gz JRTWSPFABWVSOR-QGZVFWFLSA-N 1 2 362.470 2.176 50 0 FEAALO CCN1CC2(CCN(C(=O)[C@H](c3ccccc3F)[NH+](C)C)CC2)OC1=O ZINC000077427480 542380988 /nfs/dbraw/zinc/38/09/88/542380988.db2.gz PAKMPDLBRDLIOD-INIZCTEOSA-N 1 2 363.433 2.262 50 0 FEAALO CCn1c(C[NH+](C)C)nnc1C1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000077437138 542381867 /nfs/dbraw/zinc/38/18/67/542381867.db2.gz AKEXNJYJNQANKF-UHFFFAOYSA-N 1 2 357.458 2.085 50 0 FEAALO O=C(CC[N@@H+]1C[C@@H]2C[C@H]1C(=O)N2c1cccc(Cl)c1)NCc1ccco1 ZINC000077524356 542392378 /nfs/dbraw/zinc/39/23/78/542392378.db2.gz DJCFFQCNRJOWLM-RDJZCZTQSA-N 1 2 373.840 2.429 50 0 FEAALO O=C(CC[N@H+]1C[C@@H]2C[C@H]1C(=O)N2c1cccc(Cl)c1)NCc1ccco1 ZINC000077524356 542392381 /nfs/dbraw/zinc/39/23/81/542392381.db2.gz DJCFFQCNRJOWLM-RDJZCZTQSA-N 1 2 373.840 2.429 50 0 FEAALO C[N@@H+]1CCN(C(=O)Nc2ccc(F)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000079076035 542497819 /nfs/dbraw/zinc/49/78/19/542497819.db2.gz VBAAPHIFDUVYEY-HNNXBMFYSA-N 1 2 366.437 2.498 50 0 FEAALO C[N@H+]1CCN(C(=O)Nc2ccc(F)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000079076035 542497823 /nfs/dbraw/zinc/49/78/23/542497823.db2.gz VBAAPHIFDUVYEY-HNNXBMFYSA-N 1 2 366.437 2.498 50 0 FEAALO C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCN(c2ncccn2)CC1 ZINC000096983415 132226767 /nfs/dbraw/zinc/22/67/67/132226767.db2.gz CYPNVANFRGYBHF-OAHLLOKOSA-N 1 2 362.437 2.174 50 0 FEAALO O=C1C[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1Cc1cccs1 ZINC000100188958 132232444 /nfs/dbraw/zinc/23/24/44/132232444.db2.gz QELGPBQEDPFPAX-QGZVFWFLSA-N 1 2 373.453 2.337 50 0 FEAALO O=C(c1cccnc1O[C@H]1CCSC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000252528081 132292806 /nfs/dbraw/zinc/29/28/06/132292806.db2.gz FAAHPUFFAFTLQQ-HNNXBMFYSA-N 1 2 370.478 2.323 50 0 FEAALO Cn1cc(C(=O)N2CCC(c3[nH+]ccn3Cc3ccncc3)CC2)cn1 ZINC000091325820 542804523 /nfs/dbraw/zinc/80/45/23/542804523.db2.gz PRFNQLVGXAIGMT-UHFFFAOYSA-N 1 2 350.426 2.080 50 0 FEAALO Cc1[nH]c2ccc(CC(=O)N[C@H]3CCCc4nc(N(C)C)ncc43)cc2[nH+]1 ZINC000091493718 542810748 /nfs/dbraw/zinc/81/07/48/542810748.db2.gz ASSQKGXOAJHHPN-HNNXBMFYSA-N 1 2 364.453 2.464 50 0 FEAALO Cc1[nH]c2cc(CC(=O)N[C@H]3CCCc4nc(N(C)C)ncc43)ccc2[nH+]1 ZINC000091493718 542810750 /nfs/dbraw/zinc/81/07/50/542810750.db2.gz ASSQKGXOAJHHPN-HNNXBMFYSA-N 1 2 364.453 2.464 50 0 FEAALO CCNC(=O)[C@@H]1C[C@H](NC(C)=O)C[N@@H+]1Cc1ccc(OC2CCCC2)cc1 ZINC000091755011 542823774 /nfs/dbraw/zinc/82/37/74/542823774.db2.gz SLFMRJYORUPSHK-PXNSSMCTSA-N 1 2 373.497 2.223 50 0 FEAALO CCNC(=O)[C@@H]1C[C@H](NC(C)=O)C[N@H+]1Cc1ccc(OC2CCCC2)cc1 ZINC000091755011 542823775 /nfs/dbraw/zinc/82/37/75/542823775.db2.gz SLFMRJYORUPSHK-PXNSSMCTSA-N 1 2 373.497 2.223 50 0 FEAALO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1cc(=O)c2cc(C(N)=O)ccc2[nH]1 ZINC000091818690 542827704 /nfs/dbraw/zinc/82/77/04/542827704.db2.gz VQHLSGSESPWHGS-UHFFFAOYSA-N 1 2 367.453 2.280 50 0 FEAALO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1cc(=O)c2cc(C(N)=O)ccc2[nH]1 ZINC000091818690 542827707 /nfs/dbraw/zinc/82/77/07/542827707.db2.gz VQHLSGSESPWHGS-UHFFFAOYSA-N 1 2 367.453 2.280 50 0 FEAALO CCN(CCc1nc2ccc(F)cc2[nH]1)C(=O)[C@H]([NH3+])c1c(C)n[nH]c1C ZINC000091894453 542831843 /nfs/dbraw/zinc/83/18/43/542831843.db2.gz KKYGZBIWGWVJGU-QGZVFWFLSA-N 1 2 358.421 2.133 50 0 FEAALO Cc1cccc(N2CC[NH+](CC(=O)Nc3ccccc3C(N)=O)CC2)c1C ZINC000055062729 136125835 /nfs/dbraw/zinc/12/58/35/136125835.db2.gz WVENXEKZHZXMRB-UHFFFAOYSA-N 1 2 366.465 2.163 50 0 FEAALO CNC(=O)C[NH+]1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000057681904 136129989 /nfs/dbraw/zinc/12/99/89/136129989.db2.gz CTNHYUOUYHADMT-UHFFFAOYSA-N 1 2 367.478 2.226 50 0 FEAALO Cc1nn(C)c(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1Cl ZINC000095370177 542962172 /nfs/dbraw/zinc/96/21/72/542962172.db2.gz XIMOGCNIRMZLOG-UHFFFAOYSA-N 1 2 362.861 2.219 50 0 FEAALO C[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccccc1F ZINC000061718992 136132603 /nfs/dbraw/zinc/13/26/03/136132603.db2.gz CXZJTVSQPWGVIJ-AWEZNQCLSA-N 1 2 371.416 2.080 50 0 FEAALO Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCCN(C(=O)c2ccccc2F)C1 ZINC000095357317 542959275 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2.452 50 0 FEAALO Cc1nn(C[C@H](C)C(=O)NCCCn2cc[nH+]c2)c(C)c1Br ZINC000032501810 539941878 /nfs/dbraw/zinc/94/18/78/539941878.db2.gz JRQMQLLYLBIHFX-NSHDSACASA-N 1 2 368.279 2.302 50 0 FEAALO C[NH+]1CCN(C(=O)c2ccn(COc3cccc(C(F)(F)F)c3)n2)CC1 ZINC000032610878 539945283 /nfs/dbraw/zinc/94/52/83/539945283.db2.gz DMQBOHXZNNDULN-UHFFFAOYSA-N 1 2 368.359 2.326 50 0 FEAALO C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000032842304 539956001 /nfs/dbraw/zinc/95/60/01/539956001.db2.gz HDPFMDCLQOLTOD-BLLLJJGKSA-N 1 2 370.384 2.176 50 0 FEAALO CC(C)Oc1ccc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000033808229 539976265 /nfs/dbraw/zinc/97/62/65/539976265.db2.gz VKUXYSILDHDGOF-UHFFFAOYSA-N 1 2 361.467 2.380 50 0 FEAALO CN(C)c1nc(N2CCCC2)[nH+]c2c1CN(C(=O)Cc1cccs1)CC2 ZINC000034678676 539976929 /nfs/dbraw/zinc/97/69/29/539976929.db2.gz JGSSZENVLIWGKG-UHFFFAOYSA-N 1 2 371.510 2.332 50 0 FEAALO O=C(Cc1ccc(F)cc1)N1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000036708251 539992742 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C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ncc(C(C)(C)C)o2)CC1 ZINC000071804925 541772807 /nfs/dbraw/zinc/77/28/07/541772807.db2.gz TWVZTNLBUZWGGR-INIZCTEOSA-N 1 2 362.518 2.491 50 0 FEAALO Cc1ccccc1-c1ncc(C[N@@H+]2CCN[C@H](C(=O)NC3CC3)C2)s1 ZINC000072124204 541784214 /nfs/dbraw/zinc/78/42/14/541784214.db2.gz XTDTUBFJCUTHPF-KRWDZBQOSA-N 1 2 356.495 2.171 50 0 FEAALO Cc1ccccc1-c1ncc(C[N@H+]2CCN[C@H](C(=O)NC3CC3)C2)s1 ZINC000072124204 541784219 /nfs/dbraw/zinc/78/42/19/541784219.db2.gz XTDTUBFJCUTHPF-KRWDZBQOSA-N 1 2 356.495 2.171 50 0 FEAALO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000072308875 541798362 /nfs/dbraw/zinc/79/83/62/541798362.db2.gz RPXGURFANZPGCM-HNNXBMFYSA-N 1 2 374.529 2.193 50 0 FEAALO Nc1ncccc1C[N@@H+]1CCOC[C@@H]1CC(=O)Nc1ccc2c(c1)CCC2 ZINC000072424951 541810081 /nfs/dbraw/zinc/81/00/81/541810081.db2.gz QATVMFZIPBGCPH-IBGZPJMESA-N 1 2 366.465 2.382 50 0 FEAALO Nc1ncccc1C[N@H+]1CCOC[C@@H]1CC(=O)Nc1ccc2c(c1)CCC2 ZINC000072424951 541810084 /nfs/dbraw/zinc/81/00/84/541810084.db2.gz QATVMFZIPBGCPH-IBGZPJMESA-N 1 2 366.465 2.382 50 0 FEAALO Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCC3)C1 ZINC000072428300 541812114 /nfs/dbraw/zinc/81/21/14/541812114.db2.gz BBJDRIBCEWQEMK-GOSISDBHSA-N 1 2 367.497 2.385 50 0 FEAALO O=S1(=O)C[C@H]2[C@@H](C1)N(Cc1ccccc1)CC[N@H+]2CCc1ccccc1 ZINC000072432266 541812727 /nfs/dbraw/zinc/81/27/27/541812727.db2.gz RCOJPHGQOQGCBC-LEWJYISDSA-N 1 2 370.518 2.213 50 0 FEAALO O=S1(=O)C[C@H]2[C@@H](C1)N(Cc1ccccc1)CC[N@@H+]2CCc1ccccc1 ZINC000072432266 541812729 /nfs/dbraw/zinc/81/27/29/541812729.db2.gz RCOJPHGQOQGCBC-LEWJYISDSA-N 1 2 370.518 2.213 50 0 FEAALO O=C(c1ccsc1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH+]c[nH]2)C1 ZINC000072438586 541815058 /nfs/dbraw/zinc/81/50/58/541815058.db2.gz YLTNHSYLBLQUOT-XJKSGUPXSA-N 1 2 358.467 2.167 50 0 FEAALO O=C(c1ccsc1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH]c[nH+]2)C1 ZINC000072438586 541815061 /nfs/dbraw/zinc/81/50/61/541815061.db2.gz YLTNHSYLBLQUOT-XJKSGUPXSA-N 1 2 358.467 2.167 50 0 FEAALO C[NH+](C)C[C@]1(O)CCN(c2[nH+]c(-c3ccc(F)cc3)ccc2C(=O)[O-])C1 ZINC000072478876 541820296 /nfs/dbraw/zinc/82/02/96/541820296.db2.gz ZCAONEDSSMTRKA-LJQANCHMSA-N 1 2 359.401 2.089 50 0 FEAALO CCOC(=O)C1=C(O)NC(N2CCc3ccccc32)=[NH+][C@H]1c1ccco1 ZINC000002435819 204038913 /nfs/dbraw/zinc/03/89/13/204038913.db2.gz DJDQYDHCBZSGKE-CVEARBPZSA-N 1 2 353.378 2.049 50 0 FEAALO COc1cc(OC)c(N2C(=O)C[C@@H]([NH+]3CCCCC3)C2=O)cc1Cl ZINC000004820378 204167236 /nfs/dbraw/zinc/16/72/36/204167236.db2.gz KEKTXXMMDDZLSX-CYBMUJFWSA-N 1 2 352.818 2.475 50 0 FEAALO [NH2+]=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC(F)(F)F)cc1 ZINC000004335283 204134862 /nfs/dbraw/zinc/13/48/62/204134862.db2.gz RTZBSGKXRRUKJJ-ZJUUUORDSA-N 1 2 352.359 2.239 50 0 FEAALO CC[N@H+](CCCNC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1 ZINC000008704194 204338810 /nfs/dbraw/zinc/33/88/10/204338810.db2.gz LMVGGYXOJZNPFY-UHFFFAOYSA-N 1 2 364.449 2.429 50 0 FEAALO CC[N@@H+](CCCNC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1 ZINC000008704194 204338812 /nfs/dbraw/zinc/33/88/12/204338812.db2.gz LMVGGYXOJZNPFY-UHFFFAOYSA-N 1 2 364.449 2.429 50 0 FEAALO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000011662693 204410081 /nfs/dbraw/zinc/41/00/81/204410081.db2.gz UAWAQQUFSBUKMP-HNNXBMFYSA-N 1 2 359.455 2.477 50 0 FEAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000010391395 204395325 /nfs/dbraw/zinc/39/53/25/204395325.db2.gz CADCZFDGTXZEKU-UHFFFAOYSA-N 1 2 372.450 2.146 50 0 FEAALO CNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000036256540 205008958 /nfs/dbraw/zinc/00/89/58/205008958.db2.gz NEIVKKPPDLTYIC-QGZVFWFLSA-N 1 2 363.889 2.403 50 0 FEAALO COc1cccc(NC(=O)[C@H](C2CCCC2)[NH+]2CCN(C(C)=O)CC2)c1 ZINC000036311696 205009091 /nfs/dbraw/zinc/00/90/91/205009091.db2.gz SPLIMZNNRUQSSI-IBGZPJMESA-N 1 2 359.470 2.357 50 0 FEAALO CCNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC000036255867 205009535 /nfs/dbraw/zinc/00/95/35/205009535.db2.gz BDUCTCSHXKYGQV-SFHVURJKSA-N 1 2 361.461 2.278 50 0 FEAALO C[N@@H+]1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)[C@H](c2ccccc2)C1 ZINC000038312536 205040418 /nfs/dbraw/zinc/04/04/18/205040418.db2.gz XMQTWOZROSGBLY-KRWDZBQOSA-N 1 2 374.462 2.135 50 0 FEAALO C[N@H+]1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)[C@H](c2ccccc2)C1 ZINC000038312536 205040421 /nfs/dbraw/zinc/04/04/21/205040421.db2.gz XMQTWOZROSGBLY-KRWDZBQOSA-N 1 2 374.462 2.135 50 0 FEAALO Cn1c(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3s2)cc(=O)n(C)c1=O ZINC000040024435 205050260 /nfs/dbraw/zinc/05/02/60/205050260.db2.gz FAMRYQQVXAHMSV-OAHLLOKOSA-N 1 2 370.478 2.421 50 0 FEAALO Cn1c(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3s2)cc(=O)n(C)c1=O ZINC000040024435 205050264 /nfs/dbraw/zinc/05/02/64/205050264.db2.gz FAMRYQQVXAHMSV-OAHLLOKOSA-N 1 2 370.478 2.421 50 0 FEAALO COc1ccc(CCNC(=O)c2ccc(-n3cc[nH+]c3)nc2)cc1OC ZINC000040043277 205051488 /nfs/dbraw/zinc/05/14/88/205051488.db2.gz NJHRBVJPJKGWKI-UHFFFAOYSA-N 1 2 352.394 2.257 50 0 FEAALO CC(C)C(=O)N1CCC[C@@H](C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000042497601 205095955 /nfs/dbraw/zinc/09/59/55/205095955.db2.gz MUZKBZIKDXSOGU-QGZVFWFLSA-N 1 2 358.486 2.193 50 0 FEAALO Cn1cc[nH+]c1[C@H](NC(=O)CCNc1ncccn1)c1ccccc1F ZINC000045767949 205124823 /nfs/dbraw/zinc/12/48/23/205124823.db2.gz WTVPJGNGQZATLC-MRXNPFEDSA-N 1 2 354.389 2.057 50 0 FEAALO O=C(CCc1ccccn1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000049680118 205175332 /nfs/dbraw/zinc/17/53/32/205175332.db2.gz ALRCICQVYXXNCD-UHFFFAOYSA-N 1 2 353.422 2.087 50 0 FEAALO Cc1nc2c(nc(C)nc2NC[C@H](c2ccccn2)[NH+]2CCOCC2)o1 ZINC000055108872 205206738 /nfs/dbraw/zinc/20/67/38/205206738.db2.gz HKJRICRAVXXVJB-OAHLLOKOSA-N 1 2 354.414 2.115 50 0 FEAALO CCOC(=O)CN(C)c1ncc(C[NH2+][C@H](C)c2cn3ccsc3n2)cn1 ZINC000055225572 205211233 /nfs/dbraw/zinc/21/12/33/205211233.db2.gz UBQWFGGHGYCQND-GFCCVEGCSA-N 1 2 374.470 2.036 50 0 FEAALO COc1c(F)cccc1C(=O)N1CC[N@H+](Cc2ccco2)[C@@H](CCO)C1 ZINC000055226898 205211359 /nfs/dbraw/zinc/21/13/59/205211359.db2.gz VLHUSERYKTWWJS-AWEZNQCLSA-N 1 2 362.401 2.136 50 0 FEAALO COc1c(F)cccc1C(=O)N1CC[N@@H+](Cc2ccco2)[C@@H](CCO)C1 ZINC000055226898 205211365 /nfs/dbraw/zinc/21/13/65/205211365.db2.gz VLHUSERYKTWWJS-AWEZNQCLSA-N 1 2 362.401 2.136 50 0 FEAALO CCOC(=O)N[C@@H]1CCC[N@H+](Cn2c(=O)oc3cc(Cl)ccc32)C1 ZINC000058162856 205251816 /nfs/dbraw/zinc/25/18/16/205251816.db2.gz KHEOZFBDDTVYNH-GFCCVEGCSA-N 1 2 353.806 2.416 50 0 FEAALO CCOC(=O)N[C@@H]1CCC[N@@H+](Cn2c(=O)oc3cc(Cl)ccc32)C1 ZINC000058162856 205251821 /nfs/dbraw/zinc/25/18/21/205251821.db2.gz KHEOZFBDDTVYNH-GFCCVEGCSA-N 1 2 353.806 2.416 50 0 FEAALO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@H]1COc2ccccc2O1 ZINC000058180061 205255829 /nfs/dbraw/zinc/25/58/29/205255829.db2.gz XLMFCWZULBFKRR-LJQANCHMSA-N 1 2 354.406 2.297 50 0 FEAALO CCNC(=O)C[N@@H+]1CCCN(C(=O)CSc2ccc(Cl)cc2)CC1 ZINC000058193991 205257721 /nfs/dbraw/zinc/25/77/21/205257721.db2.gz PIHBBNBMRZYOPV-UHFFFAOYSA-N 1 2 369.918 2.103 50 0 FEAALO CCNC(=O)C[N@H+]1CCCN(C(=O)CSc2ccc(Cl)cc2)CC1 ZINC000058193991 205257724 /nfs/dbraw/zinc/25/77/24/205257724.db2.gz PIHBBNBMRZYOPV-UHFFFAOYSA-N 1 2 369.918 2.103 50 0 FEAALO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1NC(=O)c1ccsc1 ZINC000058226383 205265576 /nfs/dbraw/zinc/26/55/76/205265576.db2.gz FPZPKZUFLRBACM-AWEZNQCLSA-N 1 2 373.478 2.451 50 0 FEAALO COc1cc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)ccn1 ZINC000058246553 205266672 /nfs/dbraw/zinc/26/66/72/205266672.db2.gz KCXZOHGPDSVGSD-GOSISDBHSA-N 1 2 357.479 2.497 50 0 FEAALO CC(C)[C@@H](C(=O)NCc1nc(-c2ccccc2)no1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000058344149 205271843 /nfs/dbraw/zinc/27/18/43/205271843.db2.gz BRJKSODYLXEQFL-RKVPGOIHSA-N 1 2 372.469 2.487 50 0 FEAALO C[C@@H](c1ccc2c(c1)OCCO2)N(C)C(=O)c1cc2n(n1)CCC[N@H+](C)C2 ZINC000065422049 205350213 /nfs/dbraw/zinc/35/02/13/205350213.db2.gz GHNGOQLVMRNGMT-AWEZNQCLSA-N 1 2 370.453 2.323 50 0 FEAALO C[C@@H](c1ccc2c(c1)OCCO2)N(C)C(=O)c1cc2n(n1)CCC[N@@H+](C)C2 ZINC000065422049 205350218 /nfs/dbraw/zinc/35/02/18/205350218.db2.gz GHNGOQLVMRNGMT-AWEZNQCLSA-N 1 2 370.453 2.323 50 0 FEAALO Cc1cnn(C)c1NC(=O)c1cccc(C[N@H+](C)Cc2cnccn2)c1 ZINC000065456820 205352502 /nfs/dbraw/zinc/35/25/02/205352502.db2.gz DXVRJXYZMKXUDQ-UHFFFAOYSA-N 1 2 350.426 2.403 50 0 FEAALO Cc1cnn(C)c1NC(=O)c1cccc(C[N@@H+](C)Cc2cnccn2)c1 ZINC000065456820 205352507 /nfs/dbraw/zinc/35/25/07/205352507.db2.gz DXVRJXYZMKXUDQ-UHFFFAOYSA-N 1 2 350.426 2.403 50 0 FEAALO O=C(Cn1ncc2c1nc[nH+]c2N1CCCCC1)NCc1ccccc1F ZINC000065295064 205335188 /nfs/dbraw/zinc/33/51/88/205335188.db2.gz XNBKNYKUDIOJCY-UHFFFAOYSA-N 1 2 368.416 2.272 50 0 FEAALO COc1cc2c(cc1C[NH+]1CCN(c3ncc(F)cn3)CC1)OCCCO2 ZINC000065394007 205345203 /nfs/dbraw/zinc/34/52/03/205345203.db2.gz KYVISYSOXLDQEY-UHFFFAOYSA-N 1 2 374.416 2.108 50 0 FEAALO COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2nn(C)c(C)c2Cl)C1 ZINC000091792713 205695156 /nfs/dbraw/zinc/69/51/56/205695156.db2.gz XNPNDBBJMTUHSH-ZDUSSCGKSA-N 1 2 365.865 2.245 50 0 FEAALO O=c1[nH]c(=O)n(-c2ccccc2Cl)c(O)c1[C@H]1[NH2+]CCc2ccccc21 ZINC000100750669 206225531 /nfs/dbraw/zinc/22/55/31/206225531.db2.gz 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C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000012807893 539575254 /nfs/dbraw/zinc/57/52/54/539575254.db2.gz FCBBXGXMLLODBK-AWEZNQCLSA-N 1 2 373.840 2.448 50 0 FEAALO C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000012807893 539575256 /nfs/dbraw/zinc/57/52/56/539575256.db2.gz FCBBXGXMLLODBK-AWEZNQCLSA-N 1 2 373.840 2.448 50 0 FEAALO C[C@@H](C(=O)N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000013039010 539583586 /nfs/dbraw/zinc/58/35/86/539583586.db2.gz SBBJIOXCFKOSDL-XHSDSOJGSA-N 1 2 365.905 2.486 50 0 FEAALO COc1ccc(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1OC ZINC000013324482 539585890 /nfs/dbraw/zinc/58/58/90/539585890.db2.gz UIFDPKIURVEQEL-UHFFFAOYSA-N 1 2 356.426 2.449 50 0 FEAALO c1coc(CN2CN(CC[NH+]3CCOCC3)Cn3c4ccccc4nc32)c1 ZINC000019921552 539670848 /nfs/dbraw/zinc/67/08/48/539670848.db2.gz OWOJMKURUVVVPI-UHFFFAOYSA-N 1 2 367.453 2.199 50 0 FEAALO COc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000020059797 539672640 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C[C@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)c1ccc(F)cc1F ZINC000023702434 539719451 /nfs/dbraw/zinc/71/94/51/539719451.db2.gz ALBMJHVKLKUPEQ-AWEZNQCLSA-N 1 2 360.408 2.359 50 0 FEAALO O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000023889753 539721435 /nfs/dbraw/zinc/72/14/35/539721435.db2.gz YSRCFPUWCRPEIK-IAGOWNOFSA-N 1 2 366.421 2.376 50 0 FEAALO COC(=O)c1ccc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000023994665 539724006 /nfs/dbraw/zinc/72/40/06/539724006.db2.gz YABJNRQEHHHVKM-LJQANCHMSA-N 1 2 368.433 2.277 50 0 FEAALO C[C@@H](O)c1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2ccccn2)CC1 ZINC000024763810 539739840 /nfs/dbraw/zinc/73/98/40/539739840.db2.gz NWRZQEQWKXBYGD-JKSUJKDBSA-N 1 2 354.454 2.284 50 0 FEAALO CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000024663316 539737260 /nfs/dbraw/zinc/73/72/60/539737260.db2.gz LZABNTPELGKLPB-HNNXBMFYSA-N 1 2 350.378 2.179 50 0 FEAALO COc1ccc(C(=O)N2CC[NH+](CCc3ccccn3)CC2)cc1OC ZINC000025279657 539753704 /nfs/dbraw/zinc/75/37/04/539753704.db2.gz JLVMEHBBAPNAIZ-UHFFFAOYSA-N 1 2 355.438 2.099 50 0 FEAALO O[C@@H](CN1CC[NH+](C[C@H](O)c2ccccc2F)CC1)c1ccccc1F ZINC000026897793 539797029 /nfs/dbraw/zinc/79/70/29/539797029.db2.gz OHSOZSCGACZDJM-PMACEKPBSA-N 1 2 362.420 2.349 50 0 FEAALO CCNC(=O)C1CC[NH+](Cc2nc(COc3ccc(F)cc3)no2)CC1 ZINC000027416479 539807463 /nfs/dbraw/zinc/80/74/63/539807463.db2.gz CKQFCZVHFPXSHL-UHFFFAOYSA-N 1 2 362.405 2.136 50 0 FEAALO O=C(NCC[NH+]1CCOCC1)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000028836001 539837755 /nfs/dbraw/zinc/83/77/55/539837755.db2.gz DPMKAXIGPOTUQH-UHFFFAOYSA-N 1 2 368.481 2.339 50 0 FEAALO C[C@H](CNC(=O)c1cnn(Cc2ccccc2Cl)c1)[NH+]1CCOCC1 ZINC000029961133 539870526 /nfs/dbraw/zinc/87/05/26/539870526.db2.gz CJQMOIMLHRVFFW-CQSZACIVSA-N 1 2 362.861 2.035 50 0 FEAALO COc1ccccc1NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000031095313 539897755 /nfs/dbraw/zinc/89/77/55/539897755.db2.gz UKPXTMLWHAMALC-QGZVFWFLSA-N 1 2 351.472 2.025 50 0 FEAALO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000032434700 539939062 /nfs/dbraw/zinc/93/90/62/539939062.db2.gz LKUFPBDWFFISSZ-GFCCVEGCSA-N 1 2 364.870 2.114 50 0 FEAALO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000032434700 539939064 /nfs/dbraw/zinc/93/90/64/539939064.db2.gz LKUFPBDWFFISSZ-GFCCVEGCSA-N 1 2 364.870 2.114 50 0 FEAALO CCOc1ccc(-c2cc(C(=O)NC[C@@H](C)[NH+]3CCOCC3)no2)cc1 ZINC000032594047 539944419 /nfs/dbraw/zinc/94/44/19/539944419.db2.gz GOSLYYPPLNWRMO-CQSZACIVSA-N 1 2 359.426 2.191 50 0 FEAALO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccc2c(c1)OCO2 ZINC000032862307 539956257 /nfs/dbraw/zinc/95/62/57/539956257.db2.gz TUDGERKXUHLCFY-QGZVFWFLSA-N 1 2 369.421 2.438 50 0 FEAALO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccc2c(c1)OCO2 ZINC000032862307 539956260 /nfs/dbraw/zinc/95/62/60/539956260.db2.gz TUDGERKXUHLCFY-QGZVFWFLSA-N 1 2 369.421 2.438 50 0 FEAALO COc1ccccc1[C@H](CNS(=O)(=O)c1ccccc1F)[NH+](C)C ZINC000033047876 539965346 /nfs/dbraw/zinc/96/53/46/539965346.db2.gz ZKRJTFGGDJTVRL-HNNXBMFYSA-N 1 2 352.431 2.416 50 0 FEAALO Cc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000035358143 539981383 /nfs/dbraw/zinc/98/13/83/539981383.db2.gz XQLHWMUARORELP-UHFFFAOYSA-N 1 2 373.478 2.183 50 0 FEAALO Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000035877333 539985008 /nfs/dbraw/zinc/98/50/08/539985008.db2.gz LRWGXKLZCZFPDZ-UHFFFAOYSA-N 1 2 373.478 2.183 50 0 FEAALO COc1ccc(S(=O)(=O)N2CC[NH+](CCOCCC(C)C)CC2)cc1 ZINC000040157193 540007967 /nfs/dbraw/zinc/00/79/67/540007967.db2.gz RYKYYSSLHFGGJB-UHFFFAOYSA-N 1 2 370.515 2.064 50 0 FEAALO COc1cc2c(cc1CN1CCc3[nH+]c[nH]c3[C@H]1c1cnn(C)c1)OCO2 ZINC000067982381 541535490 /nfs/dbraw/zinc/53/54/90/541535490.db2.gz MLWZAWSVZDPBRO-LJQANCHMSA-N 1 2 367.409 2.028 50 0 FEAALO O=C(COC[C@@H]1CCCO1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000069229857 541669886 /nfs/dbraw/zinc/66/98/86/541669886.db2.gz FLUKSFYNNNBNBK-KRWDZBQOSA-N 1 2 352.862 2.180 50 0 FEAALO CCCCNC(=O)NC(=O)C[N@H+](CCC)[C@H](C)C(=O)Nc1ccccc1 ZINC000070007028 541729768 /nfs/dbraw/zinc/72/97/68/541729768.db2.gz RESHRLLCWNROGQ-OAHLLOKOSA-N 1 2 362.474 2.352 50 0 FEAALO CCCCNC(=O)NC(=O)C[N@@H+](CCC)[C@H](C)C(=O)Nc1ccccc1 ZINC000070007028 541729770 /nfs/dbraw/zinc/72/97/70/541729770.db2.gz RESHRLLCWNROGQ-OAHLLOKOSA-N 1 2 362.474 2.352 50 0 FEAALO CNS(=O)(=O)c1ccc(C[N@H+](C)Cc2nc3cc(F)ccc3[nH]2)cc1 ZINC000071750442 541770256 /nfs/dbraw/zinc/77/02/56/541770256.db2.gz HGWOTQYKNLKXDP-UHFFFAOYSA-N 1 2 362.430 2.242 50 0 FEAALO CNS(=O)(=O)c1ccc(C[N@@H+](C)Cc2nc3cc(F)ccc3[nH]2)cc1 ZINC000071750442 541770259 /nfs/dbraw/zinc/77/02/59/541770259.db2.gz HGWOTQYKNLKXDP-UHFFFAOYSA-N 1 2 362.430 2.242 50 0 FEAALO COc1cccc(C(=O)N2CC[NH+](Cc3ccc4nonc4c3)CC2)c1 ZINC000072139151 541785946 /nfs/dbraw/zinc/78/59/46/541785946.db2.gz WFNHXYWDZOVSBB-UHFFFAOYSA-N 1 2 352.394 2.189 50 0 FEAALO COC(=O)c1ccc(C[N@@H+]2CCN(Cc3cccc(OC)c3)C(=O)C2)cc1 ZINC000072151629 541789561 /nfs/dbraw/zinc/78/95/61/541789561.db2.gz HBNMRLCFFDNXBE-UHFFFAOYSA-N 1 2 368.433 2.326 50 0 FEAALO COC(=O)c1ccc(C[N@H+]2CCN(Cc3cccc(OC)c3)C(=O)C2)cc1 ZINC000072151629 541789564 /nfs/dbraw/zinc/78/95/64/541789564.db2.gz HBNMRLCFFDNXBE-UHFFFAOYSA-N 1 2 368.433 2.326 50 0 FEAALO CCCNC(=O)CN1CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000072304833 541798260 /nfs/dbraw/zinc/79/82/60/541798260.db2.gz DBKMSLGFBAVYMP-UHFFFAOYSA-N 1 2 373.419 2.272 50 0 FEAALO Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCCN(C(=O)CC(F)(F)F)C1 ZINC000072423964 541810337 /nfs/dbraw/zinc/81/03/37/541810337.db2.gz UOVSPTAFXSTPFQ-LBPRGKRZSA-N 1 2 359.396 2.069 50 0 FEAALO Cc1nn(C)c(C)c1CCC(=O)N1CC[NH+](Cc2ncccc2C)CC1 ZINC000072428381 541811739 /nfs/dbraw/zinc/81/17/39/541811739.db2.gz XFOCXLNJULWYKJ-UHFFFAOYSA-N 1 2 355.486 2.017 50 0 FEAALO Cc1cc(NC(=O)C(=O)NCCCn2cc[nH+]c2)ccc1Br ZINC000002852785 204062524 /nfs/dbraw/zinc/06/25/24/204062524.db2.gz LFJMOHBRNWFKIL-UHFFFAOYSA-N 1 2 365.231 2.099 50 0 FEAALO NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(Br)cc1 ZINC000005575365 204216404 /nfs/dbraw/zinc/21/64/04/204216404.db2.gz QPZDYBNESQYVDT-UHFFFAOYSA-N 1 2 364.228 2.155 50 0 FEAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)NC(=O)NCC(C)C)c1 ZINC000007718449 204304909 /nfs/dbraw/zinc/30/49/09/204304909.db2.gz NKYBNKMYBYGSNF-MRXNPFEDSA-N 1 2 363.458 2.323 50 0 FEAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)NC(=O)NCC(C)C)c1 ZINC000007718449 204304912 /nfs/dbraw/zinc/30/49/12/204304912.db2.gz NKYBNKMYBYGSNF-MRXNPFEDSA-N 1 2 363.458 2.323 50 0 FEAALO Cn1cc[nH+]c1[C@H](NC1=NS(=O)(=O)c2ccccc21)c1ccc(F)cc1 ZINC000009313976 204362653 /nfs/dbraw/zinc/36/26/53/204362653.db2.gz SSICISZCHKKSQK-MRXNPFEDSA-N 1 2 370.409 2.387 50 0 FEAALO C[C@@]1(C2CC2)NC(=O)N(C[NH+]2CCC(C(=O)c3ccccc3)CC2)C1=O ZINC000014122339 204567502 /nfs/dbraw/zinc/56/75/02/204567502.db2.gz ZMWZUNCDWMHNDC-FQEVSTJZSA-N 1 2 355.438 2.259 50 0 FEAALO O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000036383874 205012758 /nfs/dbraw/zinc/01/27/58/205012758.db2.gz HDWZTXHAYPIKIH-OAHLLOKOSA-N 1 2 358.891 2.215 50 0 FEAALO O=C(C[NH+]1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1nccs1 ZINC000075165335 205035894 /nfs/dbraw/zinc/03/58/94/205035894.db2.gz DHJVHBDHZLPWJY-UHFFFAOYSA-N 1 2 361.349 2.363 50 0 FEAALO CCn1cc(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)c(C)n1 ZINC000039388025 205044677 /nfs/dbraw/zinc/04/46/77/205044677.db2.gz YBFMHFNZAVYXCA-HXUWFJFHSA-N 1 2 360.477 2.419 50 0 FEAALO CCn1cc(C[N@H+]2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)c(C)n1 ZINC000039388025 205044685 /nfs/dbraw/zinc/04/46/85/205044685.db2.gz YBFMHFNZAVYXCA-HXUWFJFHSA-N 1 2 360.477 2.419 50 0 FEAALO CCOc1ccccc1CN1CC[N@H+](Cc2cnn(CC)c2)C[C@H]1CCO ZINC000039379931 205045074 /nfs/dbraw/zinc/04/50/74/205045074.db2.gz XDDKPHOURTVLQI-HXUWFJFHSA-N 1 2 372.513 2.371 50 0 FEAALO CCOc1ccccc1CN1CC[N@@H+](Cc2cnn(CC)c2)C[C@H]1CCO ZINC000039379931 205045079 /nfs/dbraw/zinc/04/50/79/205045079.db2.gz XDDKPHOURTVLQI-HXUWFJFHSA-N 1 2 372.513 2.371 50 0 FEAALO O=C(Nc1ccc(C(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1)C1CC1 ZINC000040033944 205049803 /nfs/dbraw/zinc/04/98/03/205049803.db2.gz PKEVTWQJEPTFSD-UHFFFAOYSA-N 1 2 364.449 2.388 50 0 FEAALO COc1ccc(-n2c(=O)[nH]c(=O)c3c2NC[N@H+](CC(C)C)C3)cc1Cl ZINC000040286465 205065367 /nfs/dbraw/zinc/06/53/67/205065367.db2.gz YDFLGAGDMASTQB-UHFFFAOYSA-N 1 2 364.833 2.029 50 0 FEAALO COc1ccc(-n2c(=O)[nH]c(=O)c3c2NC[N@@H+](CC(C)C)C3)cc1Cl ZINC000040286465 205065372 /nfs/dbraw/zinc/06/53/72/205065372.db2.gz YDFLGAGDMASTQB-UHFFFAOYSA-N 1 2 364.833 2.029 50 0 FEAALO C[C@@H](c1ccon1)[N@H+](C)Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000055061154 205205283 /nfs/dbraw/zinc/20/52/83/205205283.db2.gz VIFDRXNBOGQVNQ-HNNXBMFYSA-N 1 2 359.426 2.105 50 0 FEAALO C[C@@H](c1ccon1)[N@@H+](C)Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000055061154 205205286 /nfs/dbraw/zinc/20/52/86/205205286.db2.gz VIFDRXNBOGQVNQ-HNNXBMFYSA-N 1 2 359.426 2.105 50 0 FEAALO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccco1 ZINC000058173323 205254393 /nfs/dbraw/zinc/25/43/93/205254393.db2.gz DKWZGOFALUCJRE-AWEZNQCLSA-N 1 2 351.447 2.275 50 0 FEAALO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccco1 ZINC000058173323 205254397 /nfs/dbraw/zinc/25/43/97/205254397.db2.gz DKWZGOFALUCJRE-AWEZNQCLSA-N 1 2 351.447 2.275 50 0 FEAALO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2csc(-c3ccccc3)n2)CC1 ZINC000060093150 205283818 /nfs/dbraw/zinc/28/38/18/205283818.db2.gz BHSJCMPCVRMPKY-UHFFFAOYSA-N 1 2 372.494 2.094 50 0 FEAALO CCNC(=O)C[N@H+]1CCCN(C(=O)c2csc(-c3ccccc3)n2)CC1 ZINC000060093150 205283821 /nfs/dbraw/zinc/28/38/21/205283821.db2.gz BHSJCMPCVRMPKY-UHFFFAOYSA-N 1 2 372.494 2.094 50 0 FEAALO COc1cccc(CNC(=O)CCc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000065269815 205332963 /nfs/dbraw/zinc/33/29/63/205332963.db2.gz FVAINWLTHHYXAQ-UHFFFAOYSA-N 1 2 355.438 2.176 50 0 FEAALO O=C(Cn1ncc2c1nc[nH+]c2N1CCCCCC1)NCc1ccco1 ZINC000065295227 205336168 /nfs/dbraw/zinc/33/61/68/205336168.db2.gz VNJSRRXIJGPLAP-UHFFFAOYSA-N 1 2 354.414 2.116 50 0 FEAALO COc1ccccc1[C@H](C)N(C)C(=O)c1cc(C[NH+]2CCC(O)CC2)on1 ZINC000067641324 205378353 /nfs/dbraw/zinc/37/83/53/205378353.db2.gz AQWSDAZVETWFSP-AWEZNQCLSA-N 1 2 373.453 2.473 50 0 FEAALO C[C@@H](Cc1cnccn1)NC(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000067879437 205399086 /nfs/dbraw/zinc/39/90/86/205399086.db2.gz OLXUBUKVRBQYDE-HNNXBMFYSA-N 1 2 365.437 2.458 50 0 FEAALO C[C@@H](Cc1cnccn1)NC(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000067879437 205399090 /nfs/dbraw/zinc/39/90/90/205399090.db2.gz OLXUBUKVRBQYDE-HNNXBMFYSA-N 1 2 365.437 2.458 50 0 FEAALO CCNC(=O)[C@@H]1C[C@H](NC(=O)CC2CCCC2)C[N@@H+]1Cc1cccc(O)c1 ZINC000096152337 205837622 /nfs/dbraw/zinc/83/76/22/205837622.db2.gz VULGLKNMUNVFBP-HKUYNNGSSA-N 1 2 373.497 2.168 50 0 FEAALO CCNC(=O)[C@@H]1C[C@H](NC(=O)CC2CCCC2)C[N@H+]1Cc1cccc(O)c1 ZINC000096152337 205837625 /nfs/dbraw/zinc/83/76/25/205837625.db2.gz VULGLKNMUNVFBP-HKUYNNGSSA-N 1 2 373.497 2.168 50 0 FEAALO CCN(C(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O)c1nc2ccccc2s1 ZINC000170594526 206269806 /nfs/dbraw/zinc/26/98/06/206269806.db2.gz RXWQDFYIWHQCET-MYODQAERSA-N 1 2 353.513 2.348 50 0 FEAALO CCN(C(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O)c1nc2ccccc2s1 ZINC000170594526 206269810 /nfs/dbraw/zinc/26/98/10/206269810.db2.gz RXWQDFYIWHQCET-MYODQAERSA-N 1 2 353.513 2.348 50 0 FEAALO CCOc1ccccc1C[N@@H+]1CCN(Cc2ccc(CO)o2)C[C@H]1CCO ZINC000107100683 206312375 /nfs/dbraw/zinc/31/23/75/206312375.db2.gz GQVMPPCYDGWSKF-GOSISDBHSA-N 1 2 374.481 2.239 50 0 FEAALO CCOc1ccccc1C[N@H+]1CCN(Cc2ccc(CO)o2)C[C@H]1CCO ZINC000107100683 206312378 /nfs/dbraw/zinc/31/23/78/206312378.db2.gz GQVMPPCYDGWSKF-GOSISDBHSA-N 1 2 374.481 2.239 50 0 FEAALO CCOc1ccccc1CN1CC[N@H+](Cc2ccc(CO)o2)C[C@H]1CCO ZINC000107100683 206312381 /nfs/dbraw/zinc/31/23/81/206312381.db2.gz GQVMPPCYDGWSKF-GOSISDBHSA-N 1 2 374.481 2.239 50 0 FEAALO CCOc1ccccc1CN1CC[N@@H+](Cc2ccc(CO)o2)C[C@H]1CCO ZINC000107100683 206312386 /nfs/dbraw/zinc/31/23/86/206312386.db2.gz GQVMPPCYDGWSKF-GOSISDBHSA-N 1 2 374.481 2.239 50 0 FEAALO CC[C@H]1C[N@H+](Cc2ccc(OC)c(OCCN3CCOCC3)c2)CCO1 ZINC000215673421 206350796 /nfs/dbraw/zinc/35/07/96/206350796.db2.gz HEYISJVPHILDMS-SFHVURJKSA-N 1 2 364.486 2.017 50 0 FEAALO CC[C@H]1C[N@@H+](Cc2ccc(OC)c(OCCN3CCOCC3)c2)CCO1 ZINC000215673421 206350802 /nfs/dbraw/zinc/35/08/02/206350802.db2.gz HEYISJVPHILDMS-SFHVURJKSA-N 1 2 364.486 2.017 50 0 FEAALO O=C(N[C@@H]1COCC[C@@H]1OCC1CC1)c1cnc(C[NH+]2CCCC2)s1 ZINC000219852811 206391981 /nfs/dbraw/zinc/39/19/81/206391981.db2.gz IMLIFCBYHXUEIB-CABCVRRESA-N 1 2 365.499 2.053 50 0 FEAALO Cn1c(C[NH+]2CCCCC2)nnc1C1CCN(C(=O)c2ccccn2)CC1 ZINC000077407414 542379087 /nfs/dbraw/zinc/37/90/87/542379087.db2.gz DMACOPMWHWXQFS-UHFFFAOYSA-N 1 2 368.485 2.216 50 0 FEAALO CSCCC(=O)N1CCC(c2nnc(C[NH+]3CCCCC3)n2C)CC1 ZINC000077518857 542391669 /nfs/dbraw/zinc/39/16/69/542391669.db2.gz LJJLHJDPWUEABO-UHFFFAOYSA-N 1 2 365.547 2.260 50 0 FEAALO CCn1c(C[NH+](C)C)nnc1C1CCN(C(=O)COc2ccccc2)CC1 ZINC000077452955 542384086 /nfs/dbraw/zinc/38/40/86/542384086.db2.gz 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132211771 /nfs/dbraw/zinc/21/17/71/132211771.db2.gz YWAGGHWHHCNQFN-JTQLQIEISA-N 1 2 359.459 2.143 50 0 FEAALO Cc1cccc(N2CC[NH+](CC(=O)NCCc3cccc(C)n3)CC2)c1 ZINC000244852489 132291217 /nfs/dbraw/zinc/29/12/17/132291217.db2.gz UTJNRBWVMLTBML-UHFFFAOYSA-N 1 2 352.482 2.179 50 0 FEAALO O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000091526408 542811832 /nfs/dbraw/zinc/81/18/32/542811832.db2.gz AWGNYWUKWSADAA-GOSISDBHSA-N 1 2 354.454 2.404 50 0 FEAALO O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000091526409 542811835 /nfs/dbraw/zinc/81/18/35/542811835.db2.gz AWGNYWUKWSADAA-SFHVURJKSA-N 1 2 354.454 2.404 50 0 FEAALO C[NH+](C)[C@H](C(=O)N1CCCN(C(=O)C2CCC2)CC1)c1ccccc1F ZINC000091574741 542813218 /nfs/dbraw/zinc/81/32/18/542813218.db2.gz PSVIJUMFSYVBRS-SFHVURJKSA-N 1 2 361.461 2.289 50 0 FEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1cccc(O)c1)CC2 ZINC000091713226 542821210 /nfs/dbraw/zinc/82/12/10/542821210.db2.gz HQGYGOOVQQERHZ-UHFFFAOYSA-N 1 2 368.437 2.042 50 0 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KAHOHECWGFBZJX-UHFFFAOYSA-N 1 2 351.450 2.294 50 0 FEAALO CCOC(=O)C1=C(C[N@H+](C)[C@@H](C)c2ccc(F)c(F)c2)NC(=O)N[C@@H]1C ZINC000024250449 539728867 /nfs/dbraw/zinc/72/88/67/539728867.db2.gz UROXXZZWNLGITJ-MNOVXSKESA-N 1 2 367.396 2.476 50 0 FEAALO CCOC(=O)C1=C(C[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)NC(=O)N[C@@H]1C ZINC000024250449 539728870 /nfs/dbraw/zinc/72/88/70/539728870.db2.gz UROXXZZWNLGITJ-MNOVXSKESA-N 1 2 367.396 2.476 50 0 FEAALO Cc1cc(C)c(C)c(S(=O)(=O)NCC(C)(C)[NH+]2CCOCC2)c1C ZINC000025784647 539768883 /nfs/dbraw/zinc/76/88/83/539768883.db2.gz RCNCXQYTUXOHQP-UHFFFAOYSA-N 1 2 354.516 2.309 50 0 FEAALO O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC[C@H]1COc2ccccc2O1 ZINC000026303239 539782952 /nfs/dbraw/zinc/78/29/52/539782952.db2.gz GLVXRTJFDIJINZ-INIZCTEOSA-N 1 2 368.437 2.321 50 0 FEAALO N=C1N(CCN2CCOCC2)c2ccccc2[N@@H+]1CC(=O)c1ccccc1 ZINC000000863768 219332937 /nfs/dbraw/zinc/33/29/37/219332937.db2.gz SMZKMLBMMSWXPD-UHFFFAOYSA-N 1 2 364.449 2.137 50 0 FEAALO N=C1N(CCN2CCOCC2)c2ccccc2[N@H+]1CC(=O)c1ccccc1 ZINC000000863768 219332940 /nfs/dbraw/zinc/33/29/40/219332940.db2.gz SMZKMLBMMSWXPD-UHFFFAOYSA-N 1 2 364.449 2.137 50 0 FEAALO O[C@H](C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1F ZINC000026898045 539796694 /nfs/dbraw/zinc/79/66/94/539796694.db2.gz GCMZZRKITHCFMD-GOSISDBHSA-N 1 2 358.413 2.406 50 0 FEAALO O[C@H](CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccccc1F ZINC000026898045 539796699 /nfs/dbraw/zinc/79/66/99/539796699.db2.gz GCMZZRKITHCFMD-GOSISDBHSA-N 1 2 358.413 2.406 50 0 FEAALO C[C@@H](C(=O)Nc1nccs1)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000027424902 539807333 /nfs/dbraw/zinc/80/73/33/539807333.db2.gz LGOQDEKPVLQXLM-AWEZNQCLSA-N 1 2 372.494 2.499 50 0 FEAALO C[C@H](O)CNc1[nH+]c2ccccc2n1CC(=O)NCc1ccc(F)cc1 ZINC000028914922 539839844 /nfs/dbraw/zinc/83/98/44/539839844.db2.gz ROVLHPGIELFUBS-ZDUSSCGKSA-N 1 2 356.401 2.285 50 0 FEAALO Cc1nn(C)c(C)c1CC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000029874595 539867310 /nfs/dbraw/zinc/86/73/10/539867310.db2.gz UBAYEJLMBKMLSN-GOSISDBHSA-N 1 2 355.417 2.358 50 0 FEAALO O=S(=O)(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1F ZINC000039197679 540001336 /nfs/dbraw/zinc/00/13/36/540001336.db2.gz QMSCQQXETQSYFE-MRXNPFEDSA-N 1 2 364.442 2.005 50 0 FEAALO O=S(=O)(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1F ZINC000039197679 540001338 /nfs/dbraw/zinc/00/13/38/540001338.db2.gz QMSCQQXETQSYFE-MRXNPFEDSA-N 1 2 364.442 2.005 50 0 FEAALO Cc1ccc(C(=O)C2CC[NH+](CC(=O)NC[C@H]3CCCO3)CC2)c(C)c1 ZINC000040086392 540005410 /nfs/dbraw/zinc/00/54/10/540005410.db2.gz RYRCBKWEEARDKF-GOSISDBHSA-N 1 2 358.482 2.493 50 0 FEAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)NC(=O)Nc1ccccc1 ZINC000048364962 540359288 /nfs/dbraw/zinc/35/92/88/540359288.db2.gz FBSINHKZFKBDAS-KBMXLJTQSA-N 1 2 359.426 2.141 50 0 FEAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)NC(=O)Nc1ccccc1 ZINC000048364962 540359291 /nfs/dbraw/zinc/35/92/91/540359291.db2.gz FBSINHKZFKBDAS-KBMXLJTQSA-N 1 2 359.426 2.141 50 0 FEAALO COC(=O)c1cc(CNC(=O)NCc2[nH+]cc(C)c(OC)c2C)oc1C ZINC000051755691 540442643 /nfs/dbraw/zinc/44/26/43/540442643.db2.gz SHXJMHVEAVHHRG-UHFFFAOYSA-N 1 2 361.398 2.394 50 0 FEAALO O=C(CCc1cc(Cl)no1)N1CC[NH+](Cc2ccccc2CO)CC1 ZINC000055108757 540628584 /nfs/dbraw/zinc/62/85/84/540628584.db2.gz UFCIFRUPIUXGBW-UHFFFAOYSA-N 1 2 363.845 2.097 50 0 FEAALO Cc1ccc([C@H](CNc2cncc(-n3cccn3)n2)[NH+]2CCOCC2)o1 ZINC000058297391 540838715 /nfs/dbraw/zinc/83/87/15/540838715.db2.gz UUIVWXQFBZWSEO-HNNXBMFYSA-N 1 2 354.414 2.049 50 0 FEAALO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1ccc2c(c1)NC(=O)CS2 ZINC000058380242 540841138 /nfs/dbraw/zinc/84/11/38/540841138.db2.gz GYNNJNKFJAVRGW-UHFFFAOYSA-N 1 2 365.418 2.242 50 0 FEAALO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCC(F)(F)F ZINC000058202518 540833464 /nfs/dbraw/zinc/83/34/64/540833464.db2.gz DDQREDOBVAGNKH-NSHDSACASA-N 1 2 353.385 2.044 50 0 FEAALO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCC(F)(F)F ZINC000058202518 540833467 /nfs/dbraw/zinc/83/34/67/540833467.db2.gz DDQREDOBVAGNKH-NSHDSACASA-N 1 2 353.385 2.044 50 0 FEAALO CC(C)(C)c1nc(CN2CCN(Cc3cn4ccccc4[nH+]3)CC2)no1 ZINC000058265105 540836674 /nfs/dbraw/zinc/83/66/74/540836674.db2.gz DBMZOMLZBKQTTI-UHFFFAOYSA-N 1 2 354.458 2.333 50 0 FEAALO COc1ccc(CCN2C(=O)O[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]32)cc1 ZINC000064103123 541194637 /nfs/dbraw/zinc/19/46/37/541194637.db2.gz QOKVALVPQRFLDM-RBUKOAKNSA-N 1 2 353.422 2.338 50 0 FEAALO COc1ccc(CCN2C(=O)O[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]32)cc1 ZINC000064103123 541194640 /nfs/dbraw/zinc/19/46/40/541194640.db2.gz QOKVALVPQRFLDM-RBUKOAKNSA-N 1 2 353.422 2.338 50 0 FEAALO O=C(c1ccco1)N1CCN(C(=O)c2cc3c(s2)C[N@@H+](C2CC2)C3)CC1 ZINC000065238810 541229753 /nfs/dbraw/zinc/22/97/53/541229753.db2.gz XFUWTRXECNZFIV-UHFFFAOYSA-N 1 2 371.462 2.417 50 0 FEAALO O=C(c1ccco1)N1CCN(C(=O)c2cc3c(s2)C[N@H+](C2CC2)C3)CC1 ZINC000065238810 541229755 /nfs/dbraw/zinc/22/97/55/541229755.db2.gz XFUWTRXECNZFIV-UHFFFAOYSA-N 1 2 371.462 2.417 50 0 FEAALO COc1ccccc1C(=O)NCCNc1cc(-n2nc(C)cc2C)nc[nH+]1 ZINC000065364691 541235232 /nfs/dbraw/zinc/23/52/32/541235232.db2.gz ZWHWSOWEMBPANZ-UHFFFAOYSA-N 1 2 366.425 2.130 50 0 FEAALO Cc1cc(NCCc2ccc(S(N)(=O)=O)cc2)nc(-c2cccnc2)[nH+]1 ZINC000065370748 541235248 /nfs/dbraw/zinc/23/52/48/541235248.db2.gz ZJVGHVHRZMXPQA-UHFFFAOYSA-N 1 2 369.450 2.149 50 0 FEAALO CC(C)Cc1nc(C[C@@H]2C(=O)NCC[N@@H+]2C(C)C)n(-c2ccccc2F)n1 ZINC000065406546 541236029 /nfs/dbraw/zinc/23/60/29/541236029.db2.gz KKTWOTGKUXSTEO-QGZVFWFLSA-N 1 2 373.476 2.356 50 0 FEAALO CC(C)Cc1nc(C[C@@H]2C(=O)NCC[N@H+]2C(C)C)n(-c2ccccc2F)n1 ZINC000065406546 541236032 /nfs/dbraw/zinc/23/60/32/541236032.db2.gz KKTWOTGKUXSTEO-QGZVFWFLSA-N 1 2 373.476 2.356 50 0 FEAALO O=C(Cn1c[nH+]c2cc3c(cc21)OCCO3)NCCc1ccc(F)cc1 ZINC000064814323 541219142 /nfs/dbraw/zinc/21/91/42/541219142.db2.gz VWYLDFWZTDCBKC-UHFFFAOYSA-N 1 2 355.369 2.306 50 0 FEAALO COc1ccc(Cn2c(C[N@@H+]3CCc4ccccc4C3)n[nH]c2=O)cc1 ZINC000065526139 541242911 /nfs/dbraw/zinc/24/29/11/541242911.db2.gz DDSQQGHPQBFTLS-UHFFFAOYSA-N 1 2 350.422 2.187 50 0 FEAALO COc1ccc(Cn2c(C[N@H+]3CCc4ccccc4C3)n[nH]c2=O)cc1 ZINC000065526139 541242915 /nfs/dbraw/zinc/24/29/15/541242915.db2.gz DDSQQGHPQBFTLS-UHFFFAOYSA-N 1 2 350.422 2.187 50 0 FEAALO CN(CCc1ccccn1)c1[nH+]cccc1CNC(=O)C1(O)CCCC1 ZINC000067491318 541471848 /nfs/dbraw/zinc/47/18/48/541471848.db2.gz QTEGZSCLXFARJF-UHFFFAOYSA-N 1 2 354.454 2.077 50 0 FEAALO CC(C)(C)OC(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[NH2+]CC4)C1 ZINC000100003389 209208086 /nfs/dbraw/zinc/20/80/86/209208086.db2.gz JGVNIQUKMCURKK-GFCCVEGCSA-N 1 2 373.457 2.195 50 0 FEAALO COC(=O)c1ccncc1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000098056619 209203347 /nfs/dbraw/zinc/20/33/47/209203347.db2.gz MVBXRXUICXLOMG-YVMONPNESA-N 1 2 365.433 2.339 50 0 FEAALO CCNC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000072149643 541788666 /nfs/dbraw/zinc/78/86/66/541788666.db2.gz YVKFVGFFWCBARS-LJQANCHMSA-N 1 2 351.450 2.180 50 0 FEAALO CCNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000072149643 541788671 /nfs/dbraw/zinc/78/86/71/541788671.db2.gz YVKFVGFFWCBARS-LJQANCHMSA-N 1 2 351.450 2.180 50 0 FEAALO O=C([O-])C1(n2cccn2)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000072423985 541810061 /nfs/dbraw/zinc/81/00/61/541810061.db2.gz BUVYYDSDMSZCJX-UHFFFAOYSA-N 1 2 351.410 2.145 50 0 FEAALO CN1C[C@@]2(CC[N@H+](Cc3cnc(NCc4ccccc4)nc3)C2)OC1=O ZINC000072480175 541821549 /nfs/dbraw/zinc/82/15/49/541821549.db2.gz DXQMOJANMNHUIX-LJQANCHMSA-N 1 2 353.426 2.115 50 0 FEAALO CN1C[C@@]2(CC[N@@H+](Cc3cnc(NCc4ccccc4)nc3)C2)OC1=O ZINC000072480175 541821551 /nfs/dbraw/zinc/82/15/51/541821551.db2.gz DXQMOJANMNHUIX-LJQANCHMSA-N 1 2 353.426 2.115 50 0 FEAALO O=C(C[C@H]1COCC[N@H+]1Cc1cnn(-c2cccc(F)c2)c1)NC1CCC1 ZINC000072478191 541820096 /nfs/dbraw/zinc/82/00/96/541820096.db2.gz DMCWNGMJTREQJA-IBGZPJMESA-N 1 2 372.444 2.271 50 0 FEAALO O=C(C[C@H]1COCC[N@@H+]1Cc1cnn(-c2cccc(F)c2)c1)NC1CCC1 ZINC000072478191 541820099 /nfs/dbraw/zinc/82/00/99/541820099.db2.gz DMCWNGMJTREQJA-IBGZPJMESA-N 1 2 372.444 2.271 50 0 FEAALO O=C(C[C@@H]1COCC[N@H+]1Cc1cnn(-c2cccc(F)c2)c1)NC1CCC1 ZINC000072478192 541820313 /nfs/dbraw/zinc/82/03/13/541820313.db2.gz DMCWNGMJTREQJA-LJQANCHMSA-N 1 2 372.444 2.271 50 0 FEAALO O=C(C[C@@H]1COCC[N@@H+]1Cc1cnn(-c2cccc(F)c2)c1)NC1CCC1 ZINC000072478192 541820317 /nfs/dbraw/zinc/82/03/17/541820317.db2.gz DMCWNGMJTREQJA-LJQANCHMSA-N 1 2 372.444 2.271 50 0 FEAALO CCOC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3ccc(CC)cc3)C2=O)CC1 ZINC000096301169 209150355 /nfs/dbraw/zinc/15/03/55/209150355.db2.gz OXDVFSWAOKAXHR-QGZVFWFLSA-N 1 2 358.438 2.156 50 0 FEAALO O=S(=O)(NCCNc1cccc[nH+]1)c1ccccc1OC(F)(F)F ZINC000075110752 542153266 /nfs/dbraw/zinc/15/32/66/542153266.db2.gz UUGRYECBXAGSCN-UHFFFAOYSA-N 1 2 361.345 2.371 50 0 FEAALO Cc1noc(-c2cc(S(=O)(=O)N3CC[NH+](C)CC3)c(C)s2)c1C ZINC000075435363 542179405 /nfs/dbraw/zinc/17/94/05/542179405.db2.gz XPPDVNMVTDPQJM-UHFFFAOYSA-N 1 2 355.485 2.264 50 0 FEAALO CCn1cc[nH+]c1CN1CCN(C(=O)c2[nH]c(C)c(C(C)=O)c2C)C[C@@H]1C ZINC000075610953 542192567 /nfs/dbraw/zinc/19/25/67/542192567.db2.gz JJPHDDUBJWJWON-ZDUSSCGKSA-N 1 2 371.485 2.397 50 0 FEAALO COc1cccc(C[N@H+](C)[C@H](C)C(=O)NC(=O)NC2CCCC2)c1OC ZINC000008533851 207235884 /nfs/dbraw/zinc/23/58/84/207235884.db2.gz HYBQDJHLOMITNH-CYBMUJFWSA-N 1 2 363.458 2.293 50 0 FEAALO COc1cccc(C[N@@H+](C)[C@H](C)C(=O)NC(=O)NC2CCCC2)c1OC ZINC000008533851 207235887 /nfs/dbraw/zinc/23/58/87/207235887.db2.gz HYBQDJHLOMITNH-CYBMUJFWSA-N 1 2 363.458 2.293 50 0 FEAALO c1coc(CN2Cn3c4ccccc4nc3N(CC[NH+]3CCOCC3)C2)c1 ZINC000009421338 207270989 /nfs/dbraw/zinc/27/09/89/207270989.db2.gz HFVZCHRGJIEIKF-UHFFFAOYSA-N 1 2 367.453 2.199 50 0 FEAALO Cc1cc2[nH+]cn(Cc3cc(C(=O)N4CCCC[C@@H]4CO)[nH]n3)c2cc1C ZINC000011664258 207317495 /nfs/dbraw/zinc/31/74/95/207317495.db2.gz WXTKYEHJGAYEHZ-MRXNPFEDSA-N 1 2 367.453 2.412 50 0 FEAALO COc1ccc(OCC[NH+]2CCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)cc1 ZINC000030514540 208002647 /nfs/dbraw/zinc/00/26/47/208002647.db2.gz KREYPVPDPFSXEU-UHFFFAOYSA-N 1 2 370.453 2.133 50 0 FEAALO O[C@@H](CSc1ncnc2sc3c(c21)CCCC3)C[NH+]1CCOCC1 ZINC000032750901 208040064 /nfs/dbraw/zinc/04/00/64/208040064.db2.gz AJAXTZXYZHBVOB-GFCCVEGCSA-N 1 2 365.524 2.355 50 0 FEAALO CCOc1ccc(C[NH+]2CCN([C@H](C)C(=O)Nc3ncccn3)CC2)cc1 ZINC000032891627 208053154 /nfs/dbraw/zinc/05/31/54/208053154.db2.gz QVVHCDNFKSEMSL-MRXNPFEDSA-N 1 2 369.469 2.020 50 0 FEAALO Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000032781277 208042559 /nfs/dbraw/zinc/04/25/59/208042559.db2.gz JFKPHPMRZGMGTG-GOSISDBHSA-N 1 2 360.479 2.431 50 0 FEAALO Cc1ccc(OC[C@@H](O)Cn2c3ccccc3[nH+]c2NCCO)c(C)c1 ZINC000033014951 208066671 /nfs/dbraw/zinc/06/66/71/208066671.db2.gz XMUOPSPTFPILAJ-INIZCTEOSA-N 1 2 355.438 2.497 50 0 FEAALO NC(=O)[C@H]1CCC[N@@H+]1CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000036389765 208162392 /nfs/dbraw/zinc/16/23/92/208162392.db2.gz PRBSDRVSUFXFDM-RTBURBONSA-N 1 2 351.450 2.036 50 0 FEAALO NC(=O)[C@H]1CCC[N@H+]1CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000036389765 208162399 /nfs/dbraw/zinc/16/23/99/208162399.db2.gz PRBSDRVSUFXFDM-RTBURBONSA-N 1 2 351.450 2.036 50 0 FEAALO CC[N@@H+](Cc1nc(=O)c2c(C)c(C(=O)OC(C)C)sc2[nH]1)C[C@@H](C)O ZINC000036207426 208148784 /nfs/dbraw/zinc/14/87/84/208148784.db2.gz QTCHXUMCWOSLKT-SNVBAGLBSA-N 1 2 367.471 2.061 50 0 FEAALO CC[N@H+](Cc1nc(=O)c2c(C)c(C(=O)OC(C)C)sc2[nH]1)C[C@@H](C)O ZINC000036207426 208148790 /nfs/dbraw/zinc/14/87/90/208148790.db2.gz QTCHXUMCWOSLKT-SNVBAGLBSA-N 1 2 367.471 2.061 50 0 FEAALO CCc1ccc(C(=O)N2CC[NH+]([C@@H](C(=O)NC)C3CCCC3)CC2)cc1 ZINC000036256770 208151966 /nfs/dbraw/zinc/15/19/66/208151966.db2.gz ORBZQQCFRXPMHS-LJQANCHMSA-N 1 2 357.498 2.312 50 0 FEAALO CC(=O)N1CC[NH+]([C@@H](C(=O)NCc2ccccc2F)C2CCCC2)CC1 ZINC000036255422 208152856 /nfs/dbraw/zinc/15/28/56/208152856.db2.gz IZIRWUVZDKENIP-LJQANCHMSA-N 1 2 361.461 2.165 50 0 FEAALO CC(C)C(=O)NCCNC(=O)c1c[nH+]c2ccccc2c1N1CCCC1 ZINC000040088096 208225562 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CCn1cc[nH+]c1C1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000091877249 209002265 /nfs/dbraw/zinc/00/22/65/209002265.db2.gz JXOPFRSDRSSXNI-INIZCTEOSA-N 1 2 358.486 2.400 50 0 FEAALO Cc1[nH+]c[nH]c1CSCCNC(=O)c1ccc(C)c(N2CCNC2=O)c1 ZINC000091932411 209006302 /nfs/dbraw/zinc/00/63/02/209006302.db2.gz FVXQHPWVOVXKPJ-UHFFFAOYSA-N 1 2 373.482 2.219 50 0 FEAALO Cc1c[nH+]ccc1NC(=O)N[C@@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C ZINC000095981967 209092466 /nfs/dbraw/zinc/09/24/66/209092466.db2.gz YGTWOGTUMIDNLH-NSHDSACASA-N 1 2 356.390 2.467 50 0 FEAALO CSc1ccccc1[C@@H](C(=O)[O-])[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000095385837 209044560 /nfs/dbraw/zinc/04/45/60/209044560.db2.gz BETWOVFSNXLBTO-KRWDZBQOSA-N 1 2 360.483 2.086 50 0 FEAALO O=C(CCn1cccn1)N1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095390841 209046216 /nfs/dbraw/zinc/04/62/16/209046216.db2.gz WHSQGPPBFGHIJS-HNNXBMFYSA-N 1 2 370.482 2.381 50 0 FEAALO C[C@@H]1Cc2cc(NC(=O)N3CCC(O)(Cn4cc[nH+]c4)CC3)ccc2O1 ZINC000095507004 209066291 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CCc1cnc(C)nc1N1CCC[C@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000095357179 132207532 /nfs/dbraw/zinc/20/75/32/132207532.db2.gz DLXOCXIMEUVMCJ-INIZCTEOSA-N 1 2 366.473 2.105 50 0 FEAALO CCCc1cncnc1N1CCC[C@@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000095381988 132209848 /nfs/dbraw/zinc/20/98/48/132209848.db2.gz AIGYAXGNSKKVKT-MRXNPFEDSA-N 1 2 366.473 2.186 50 0 FEAALO O=C(NCCCn1nnc2ccccc21)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000096139075 132220179 /nfs/dbraw/zinc/22/01/79/132220179.db2.gz FJVGGUYGTHFOFX-INIZCTEOSA-N 1 2 364.453 2.249 50 0 FEAALO S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2cccc[nH+]2)CC1 ZINC000003330107 132385102 /nfs/dbraw/zinc/38/51/02/132385102.db2.gz BWBPHVPQKGMRJB-UHFFFAOYSA-N 1 2 356.451 2.007 50 0 FEAALO Cc1cc(N2CC[C@@]3(C2)CCCN(CCO)C3=O)nc(-c2ccccc2)[nH+]1 ZINC000091269673 542803054 /nfs/dbraw/zinc/80/30/54/542803054.db2.gz GIWAOIGIVGQOEN-OAQYLSRUSA-N 1 2 366.465 2.263 50 0 FEAALO O=C(c1ccn(C(F)F)n1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cscn1)C2 ZINC000091255274 542803287 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Cc1ccc(C(N)=O)c(N2CCC[C@]3(C2)c2ccccc2N(C)C3=O)[nH+]1 ZINC000072164691 136143530 /nfs/dbraw/zinc/14/35/30/136143530.db2.gz QJMHLJMYXPYVIN-FQEVSTJZSA-N 1 2 350.422 2.004 50 0 FEAALO CCc1cc(N2CCC(O)(Cn3cc[nH+]c3)CC2)n2nc(C)c(C)c2n1 ZINC000072472851 136148940 /nfs/dbraw/zinc/14/89/40/136148940.db2.gz ZCIBKFHDPCJAMA-UHFFFAOYSA-N 1 2 354.458 2.137 50 0 FEAALO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ncccn3)C2)c1 ZINC000095518277 542978610 /nfs/dbraw/zinc/97/86/10/542978610.db2.gz HHSGODPPUAYNJJ-HNNXBMFYSA-N 1 2 370.453 2.136 50 0 FEAALO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ncccn3)C2)c1 ZINC000095518277 542978614 /nfs/dbraw/zinc/97/86/14/542978614.db2.gz HHSGODPPUAYNJJ-HNNXBMFYSA-N 1 2 370.453 2.136 50 0 FEAALO Cc1cc2nc(C[N@@H+]3CCC[C@@H](C(=O)Cc4ccccc4)C3)cc(=O)n2[nH]1 ZINC000102390828 543068467 /nfs/dbraw/zinc/06/84/67/543068467.db2.gz AFASEDKSVOUJGR-QGZVFWFLSA-N 1 2 364.449 2.355 50 0 FEAALO Cc1cc2nc(C[N@H+]3CCC[C@@H](C(=O)Cc4ccccc4)C3)cc(=O)n2[nH]1 ZINC000102390828 543068470 /nfs/dbraw/zinc/06/84/70/543068470.db2.gz AFASEDKSVOUJGR-QGZVFWFLSA-N 1 2 364.449 2.355 50 0 FEAALO CCOc1ccc(CN2CC[N@H+](Cc3cnn(C)c3C)C[C@H]2CCO)cc1 ZINC000104510401 543133467 /nfs/dbraw/zinc/13/34/67/543133467.db2.gz UMEFJXCEDSJFFS-HXUWFJFHSA-N 1 2 372.513 2.196 50 0 FEAALO CCOc1ccc(CN2CC[N@@H+](Cc3cnn(C)c3C)C[C@H]2CCO)cc1 ZINC000104510401 543133469 /nfs/dbraw/zinc/13/34/69/543133469.db2.gz UMEFJXCEDSJFFS-HXUWFJFHSA-N 1 2 372.513 2.196 50 0 FEAALO Cc1cc2cccc(C(=O)N3CCC[C@H](c4[nH+]ccn4CC(N)=O)C3)c2o1 ZINC000095520542 209073286 /nfs/dbraw/zinc/07/32/86/209073286.db2.gz HNTATOKOCPRDFL-HNNXBMFYSA-N 1 2 366.421 2.443 50 0 FEAALO COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cn2ncc3ccccc32)C1 ZINC000095526887 209076380 /nfs/dbraw/zinc/07/63/80/209076380.db2.gz XBEYLYZWXPUQJT-QGZVFWFLSA-N 1 2 367.453 2.285 50 0 FEAALO CCn1cc[nH+]c1C1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1 ZINC000095529290 209078002 /nfs/dbraw/zinc/07/80/02/209078002.db2.gz SYDLWSJLWJXXNQ-UHFFFAOYSA-N 1 2 365.437 2.019 50 0 FEAALO Cc1cccc(C)c1OC[C@@H](O)Cn1c2ccccc2[nH+]c1NCCO ZINC000012506645 263371315 /nfs/dbraw/zinc/37/13/15/263371315.db2.gz QOSQPBLRRFARHX-INIZCTEOSA-N 1 2 355.438 2.497 50 0 FEAALO CCc1nc(CNC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)cs1 ZINC000111861672 325741492 /nfs/dbraw/zinc/74/14/92/325741492.db2.gz UDEKZANGEYKDRS-UHFFFAOYSA-N 1 2 365.528 2.498 50 0 FEAALO C[N@H+](CC(=O)N1CC[C@H](Cc2ccc(CO)cc2)C1)Cc1ccncc1 ZINC000091663591 522450011 /nfs/dbraw/zinc/45/00/11/522450011.db2.gz KOJQLNVOYMHHPF-HXUWFJFHSA-N 1 2 353.466 2.097 50 0 FEAALO C[N@@H+](CC(=O)N1CC[C@H](Cc2ccc(CO)cc2)C1)Cc1ccncc1 ZINC000091663591 522450017 /nfs/dbraw/zinc/45/00/17/522450017.db2.gz KOJQLNVOYMHHPF-HXUWFJFHSA-N 1 2 353.466 2.097 50 0 FEAALO CNc1nc(C)c(C(=O)N2CCC[C@@H](c3[nH+]ccn3CCOC)C2)s1 ZINC000091304681 522679127 /nfs/dbraw/zinc/67/91/27/522679127.db2.gz KRNBGDBYBIUIBV-CYBMUJFWSA-N 1 2 363.487 2.356 50 0 FEAALO Cc1cccc(C[N@@H+]2CCCn3nc(CCC(=O)NC4CC4)cc3C2)n1 ZINC000091364629 524396633 /nfs/dbraw/zinc/39/66/33/524396633.db2.gz 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CCOc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(=O)N1CCCCCC1 ZINC000015065673 539610149 /nfs/dbraw/zinc/61/01/49/539610149.db2.gz HKWAVGJVCMOVBD-GOSISDBHSA-N 1 2 373.497 2.178 50 0 FEAALO Cc1ccc(-n2c(O)c([C@H]3[NH2+]CCc4ccccc43)c(=O)[nH]c2=O)cc1C ZINC000017057383 539638275 /nfs/dbraw/zinc/63/82/75/539638275.db2.gz UCDNZHDQQCKXSP-SFHVURJKSA-N 1 2 363.417 2.083 50 0 FEAALO Cc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000016599214 539634212 /nfs/dbraw/zinc/63/42/12/539634212.db2.gz ZXEFVHBTMWJQRQ-SFHVURJKSA-N 1 2 360.479 2.431 50 0 FEAALO CC(C)C[C@H](NC(=O)c1ccco1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000018250312 539648667 /nfs/dbraw/zinc/64/86/67/539648667.db2.gz FFCXIAQEBGGPOG-INIZCTEOSA-N 1 2 370.453 2.168 50 0 FEAALO COc1ccc2nc(N3CN(Cc4ccccc4)CNC3=[NH2+])nc(C)c2c1 ZINC000019325395 539655347 /nfs/dbraw/zinc/65/53/47/539655347.db2.gz QWOXWLYDPIMGFV-UHFFFAOYSA-N 1 2 362.437 2.499 50 0 FEAALO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CC(=O)N(c3ccccc3)C1=O)CC2 ZINC000022609120 539696415 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C[N@@H+](Cc1ccc2c(c1)OCCO2)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000023652642 539718214 /nfs/dbraw/zinc/71/82/14/539718214.db2.gz RLFTYRYUAKOGGM-UHFFFAOYSA-N 1 2 373.453 2.492 50 0 FEAALO C[N@H+](Cc1ccc2c(c1)OCCO2)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000023652642 539718219 /nfs/dbraw/zinc/71/82/19/539718219.db2.gz RLFTYRYUAKOGGM-UHFFFAOYSA-N 1 2 373.453 2.492 50 0 FEAALO O=C(CCNC(=O)c1ccco1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000023673323 539718405 /nfs/dbraw/zinc/71/84/05/539718405.db2.gz IJLJSXJJOKHXQX-XBXARRHUSA-N 1 2 367.449 2.257 50 0 FEAALO CCCCNC(=O)C[NH+]1CCN(Cc2ccccc2Br)CC1 ZINC000023288375 539711243 /nfs/dbraw/zinc/71/12/43/539711243.db2.gz TZRJRZZIRVBCEE-UHFFFAOYSA-N 1 2 368.319 2.483 50 0 FEAALO CC(=O)Nc1nc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cs1 ZINC000024166692 539727776 /nfs/dbraw/zinc/72/77/76/539727776.db2.gz WDPQRSUBTQUDKA-UHFFFAOYSA-N 1 2 374.466 2.148 50 0 FEAALO CC1CCC2(CC1)NC(=O)N(C[NH+]1CCN(c3ccccc3)CC1)C2=O ZINC000025561338 539762769 /nfs/dbraw/zinc/76/27/69/539762769.db2.gz QRTYZRPTMZLNAS-UHFFFAOYSA-N 1 2 356.470 2.267 50 0 FEAALO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCN(C[C@H]2CCCO2)CC1 ZINC000025764483 539768051 /nfs/dbraw/zinc/76/80/51/539768051.db2.gz NIAPNSAWYBGWMH-RBUKOAKNSA-N 1 2 362.514 2.346 50 0 FEAALO CCC[C@H](NC(=O)C[NH+]1CCN(c2cnccn2)CC1)c1ccccc1 ZINC000027631921 539813175 /nfs/dbraw/zinc/81/31/75/539813175.db2.gz UBPBZZQLYVSXAF-SFHVURJKSA-N 1 2 353.470 2.256 50 0 FEAALO O=C(CNC(=O)c1ccccc1F)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000028695262 539835596 /nfs/dbraw/zinc/83/55/96/539835596.db2.gz FUHMEKJSGDOQAH-UHFFFAOYSA-N 1 2 366.396 2.117 50 0 FEAALO COc1cc(OC)cc([C@@H](NC(=O)c2ccccn2)c2[nH+]ccn2C)c1 ZINC000029130520 539843844 /nfs/dbraw/zinc/84/38/44/539843844.db2.gz RSSNWYFKBWLHHA-QGZVFWFLSA-N 1 2 352.394 2.352 50 0 FEAALO Cc1cc(N2CCN(CC(=O)N(C)Cc3ccco3)CC2)nc(C(C)C)[nH+]1 ZINC000029632149 539858976 /nfs/dbraw/zinc/85/89/76/539858976.db2.gz JFTSGEXCQUQGRZ-UHFFFAOYSA-N 1 2 371.485 2.282 50 0 FEAALO CSc1ncccc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000032250343 539932077 /nfs/dbraw/zinc/93/20/77/539932077.db2.gz YUBXVZNRABATPT-INIZCTEOSA-N 1 2 357.479 2.434 50 0 FEAALO CSc1ncccc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000032250343 539932083 /nfs/dbraw/zinc/93/20/83/539932083.db2.gz YUBXVZNRABATPT-INIZCTEOSA-N 1 2 357.479 2.434 50 0 FEAALO CNC(=O)NC(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2ccccc2C)CC1 ZINC000035973898 539984576 /nfs/dbraw/zinc/98/45/76/539984576.db2.gz WILIRAPELQTCFU-LJQANCHMSA-N 1 2 366.465 2.314 50 0 FEAALO Cn1c(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3s2)cc(=O)n(C)c1=O ZINC000040024436 540004030 /nfs/dbraw/zinc/00/40/30/540004030.db2.gz FAMRYQQVXAHMSV-HNNXBMFYSA-N 1 2 370.478 2.421 50 0 FEAALO Cn1c(C[N@H+]2CCCC[C@H]2c2nc3ccccc3s2)cc(=O)n(C)c1=O ZINC000040024436 540004033 /nfs/dbraw/zinc/00/40/33/540004033.db2.gz FAMRYQQVXAHMSV-HNNXBMFYSA-N 1 2 370.478 2.421 50 0 FEAALO CC(C)(C)OC(=O)N1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000048311045 540356703 /nfs/dbraw/zinc/35/67/03/540356703.db2.gz RLDWIYHFCSVJDX-OAHLLOKOSA-N 1 2 354.422 2.118 50 0 FEAALO COc1cc(C[N@H+](C)CC(=O)Nc2nncs2)ccc1OC(F)F ZINC000052929173 540500727 /nfs/dbraw/zinc/50/07/27/540500727.db2.gz JXYZVXGPMTYOOG-UHFFFAOYSA-N 1 2 358.370 2.219 50 0 FEAALO COc1cc(C[N@@H+](C)CC(=O)Nc2nncs2)ccc1OC(F)F ZINC000052929173 540500730 /nfs/dbraw/zinc/50/07/30/540500730.db2.gz JXYZVXGPMTYOOG-UHFFFAOYSA-N 1 2 358.370 2.219 50 0 FEAALO C[C@H](C(=O)Nc1nccs1)[NH+]1CCC(C(=O)NCc2ccco2)CC1 ZINC000058182669 540832192 /nfs/dbraw/zinc/83/21/92/540832192.db2.gz WWZKSHSBGVIWBV-GFCCVEGCSA-N 1 2 362.455 2.092 50 0 FEAALO Cc1ccc(C(=O)NCC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)s1 ZINC000058209031 540833190 /nfs/dbraw/zinc/83/31/90/540833190.db2.gz UXGMVSGGJAFUNM-UHFFFAOYSA-N 1 2 372.425 2.428 50 0 FEAALO CN(Cc1ccccc1-n1cccn1)C(=O)c1cc2n(n1)CCC[N@H+](C)C2 ZINC000065372232 541235488 /nfs/dbraw/zinc/23/54/88/541235488.db2.gz YCZJWIVILZCVMY-UHFFFAOYSA-N 1 2 364.453 2.177 50 0 FEAALO CN(Cc1ccccc1-n1cccn1)C(=O)c1cc2n(n1)CCC[N@@H+](C)C2 ZINC000065372232 541235492 /nfs/dbraw/zinc/23/54/92/541235492.db2.gz YCZJWIVILZCVMY-UHFFFAOYSA-N 1 2 364.453 2.177 50 0 FEAALO O=C1C[C@@H](c2ccc[nH+]c2N2CCOCC2)c2c(n[nH]c2-c2ccco2)N1 ZINC000065525857 541243175 /nfs/dbraw/zinc/24/31/75/541243175.db2.gz LDGPLKSYSVQESS-ZDUSSCGKSA-N 1 2 365.393 2.375 50 0 FEAALO CO[C@@H]1CCCOC12CCN(C(=O)CC1=CSC3=[NH+]CCCN13)CC2 ZINC000102180414 209233936 /nfs/dbraw/zinc/23/39/36/209233936.db2.gz LOVFZKIVUYOBAA-OAHLLOKOSA-N 1 2 365.499 2.213 50 0 FEAALO CO[C@H]1CCCOC12CCN(C(=O)CC1=CSC3=[NH+]CCCN13)CC2 ZINC000102180417 209233571 /nfs/dbraw/zinc/23/35/71/209233571.db2.gz LOVFZKIVUYOBAA-HNNXBMFYSA-N 1 2 365.499 2.213 50 0 FEAALO O=C(c1cc(C[NH+]2CCC(O)CC2)on1)N1CCCC[C@H]1c1ccccn1 ZINC000067540368 541477337 /nfs/dbraw/zinc/47/73/37/541477337.db2.gz PTKUQSOCWLXXKW-IBGZPJMESA-N 1 2 370.453 2.394 50 0 FEAALO O=C(c1ccc(N2CCCOCC2)nc1)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000067642289 541493938 /nfs/dbraw/zinc/49/39/38/541493938.db2.gz MKYXXVHZSMKXLQ-QGZVFWFLSA-N 1 2 369.469 2.057 50 0 FEAALO CS(=O)(=O)NC1CC[NH+](Cc2cnc(C3CCCCC3)nc2)CC1 ZINC000067691041 541499419 /nfs/dbraw/zinc/49/94/19/541499419.db2.gz IPVQUCKPYAXJAY-UHFFFAOYSA-N 1 2 352.504 2.038 50 0 FEAALO Cc1cc(C)n(C[C@@H](C)[NH2+]Cc2noc(-c3ccc4c(c3)OCO4)n2)n1 ZINC000067742352 541507829 /nfs/dbraw/zinc/50/78/29/541507829.db2.gz JRAOTKLTXYBHQN-GFCCVEGCSA-N 1 2 355.398 2.457 50 0 FEAALO COc1ccc2[nH]c(CCN(C)C(=O)c3cnn4cc(C)cnc34)[nH+]c2c1 ZINC000067847509 541519880 /nfs/dbraw/zinc/51/98/80/541519880.db2.gz DTOKKUFYRRGNAQ-UHFFFAOYSA-N 1 2 364.409 2.237 50 0 FEAALO O=C(c1cnc(N2CCCC2)nc1)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000097742918 209195806 /nfs/dbraw/zinc/19/58/06/209195806.db2.gz QXVJURBNDAQRBO-UHFFFAOYSA-N 1 2 369.444 2.174 50 0 FEAALO Cc1cccn2c(CC(=O)N3CCN(C(=O)c4cccs4)CC3)c[nH+]c12 ZINC000097604307 209188987 /nfs/dbraw/zinc/18/89/87/209188987.db2.gz PQJRPABYKTXZHI-UHFFFAOYSA-N 1 2 368.462 2.231 50 0 FEAALO O=C(C[NH+]1CCC(O)CC1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000069245606 541670676 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COc1ccc2[nH]c(CCN(C)C(=O)c3c(C)[nH]c(C)cc3=O)[nH+]c2c1 ZINC000426494052 559735745 /nfs/dbraw/zinc/73/57/45/559735745.db2.gz MEWQFRJLRHOHFS-UHFFFAOYSA-N 1 2 354.410 2.191 50 0 FEAALO Cc1c[nH]c([C@@H](C)NC(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)[nH+]1 ZINC000534636746 562538914 /nfs/dbraw/zinc/53/89/14/562538914.db2.gz MYPCSBCJOAVWOW-CYBMUJFWSA-N 1 2 368.441 2.388 50 0 FEAALO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(OCCn2cccn2)c1 ZINC000048342342 570948267 /nfs/dbraw/zinc/94/82/67/570948267.db2.gz KSGBFKKAMFNPTQ-HNNXBMFYSA-N 1 2 354.414 2.369 50 0 FEAALO O=C(NCc1ccc2nsnc2c1)C1([NH+]2CCOCC2)CCCCC1 ZINC000670473111 571054132 /nfs/dbraw/zinc/05/41/32/571054132.db2.gz JMQBGROEHODDCU-UHFFFAOYSA-N 1 2 360.483 2.343 50 0 FEAALO CCOC(=O)N[C@@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)o1)CC(C)C ZINC000084794361 571100453 /nfs/dbraw/zinc/10/04/53/571100453.db2.gz DEUQQKQLJHPFLH-CQSZACIVSA-N 1 2 362.430 2.415 50 0 FEAALO CN(CCCc1[nH+]ccn1C)C(=O)c1cccc(-c2ccc(C(N)=O)o2)c1 ZINC000426359403 571214776 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C[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000003420690 539366284 /nfs/dbraw/zinc/36/62/84/539366284.db2.gz BYVHXLPPRYJCDG-UHFFFAOYSA-N 1 2 362.842 2.480 50 0 FEAALO CN(C)C(=O)c1ccc(NC(=O)C[N@H+](C)Cc2ccc3c(c2)OCO3)cc1 ZINC000007641310 539462334 /nfs/dbraw/zinc/46/23/34/539462334.db2.gz VUDYKGUDPAQRBM-UHFFFAOYSA-N 1 2 369.421 2.188 50 0 FEAALO CN(C)C(=O)c1ccc(NC(=O)C[N@@H+](C)Cc2ccc3c(c2)OCO3)cc1 ZINC000007641310 539462340 /nfs/dbraw/zinc/46/23/40/539462340.db2.gz VUDYKGUDPAQRBM-UHFFFAOYSA-N 1 2 369.421 2.188 50 0 FEAALO CC[NH+](CC)CCCn1c(=O)c2cc(OC)c(OC)cc2[nH]c1=S ZINC000009012126 539496472 /nfs/dbraw/zinc/49/64/72/539496472.db2.gz CKQIOEBVWGELGN-UHFFFAOYSA-N 1 2 351.472 2.434 50 0 FEAALO COc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1Br ZINC000009356077 539501228 /nfs/dbraw/zinc/50/12/28/539501228.db2.gz SUKSXQJMWXHRIO-UHFFFAOYSA-N 1 2 374.260 2.023 50 0 FEAALO CN(C)c1nc2nonc2nc1N1CCC[C@@H](c2[nH]c3ccccc3[nH+]2)C1 ZINC000011935471 539540157 /nfs/dbraw/zinc/54/01/57/539540157.db2.gz 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ZINC000012983835 539581585 /nfs/dbraw/zinc/58/15/85/539581585.db2.gz YPYFWNNXFRXAJH-UHFFFAOYSA-N 1 2 370.453 2.268 50 0 FEAALO C[N@@H+]1CCc2nc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)sc2C1 ZINC000015880101 539624916 /nfs/dbraw/zinc/62/49/16/539624916.db2.gz HTRQQSZTPGJFEZ-UHFFFAOYSA-N 1 2 370.434 2.037 50 0 FEAALO C[N@H+]1CCc2nc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)sc2C1 ZINC000015880101 539624921 /nfs/dbraw/zinc/62/49/21/539624921.db2.gz HTRQQSZTPGJFEZ-UHFFFAOYSA-N 1 2 370.434 2.037 50 0 FEAALO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH+]1CCCCCC1 ZINC000016442739 539631781 /nfs/dbraw/zinc/63/17/81/539631781.db2.gz ZFYSUJGMDZEUOX-UHFFFAOYSA-N 1 2 367.471 2.147 50 0 FEAALO CC(=O)Nc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCc4ccccc4C3)C2=O)cc1 ZINC000018106651 539646074 /nfs/dbraw/zinc/64/60/74/539646074.db2.gz VZZFWABQPUJRGX-LJQANCHMSA-N 1 2 363.417 2.335 50 0 FEAALO CC(=O)Nc1ccc(N2C(=O)C[C@@H]([N@H+]3CCc4ccccc4C3)C2=O)cc1 ZINC000018106651 539646077 /nfs/dbraw/zinc/64/60/77/539646077.db2.gz VZZFWABQPUJRGX-LJQANCHMSA-N 1 2 363.417 2.335 50 0 FEAALO COC(=O)Cc1ccc(NC(=S)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000018250586 539649070 /nfs/dbraw/zinc/64/90/70/539649070.db2.gz RLEZCBSUVLBLSW-UHFFFAOYSA-N 1 2 370.478 2.316 50 0 FEAALO Cc1ccccc1NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019237309 539653534 /nfs/dbraw/zinc/65/35/34/539653534.db2.gz MICVNHIFSHLEMY-UHFFFAOYSA-N 1 2 367.449 2.480 50 0 FEAALO CN(C)c1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019865704 539670530 /nfs/dbraw/zinc/67/05/30/539670530.db2.gz HKPAIHPMHYQJAK-UHFFFAOYSA-N 1 2 367.449 2.439 50 0 FEAALO CC[NH+]1CCN(C2=C(Cl)C(=O)N(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000019911947 539670887 /nfs/dbraw/zinc/67/08/87/539670887.db2.gz ABWCFOLYAGBBIS-UHFFFAOYSA-N 1 2 372.227 2.440 50 0 FEAALO Cc1nnc(NC(=O)CN2CC[NH+](C/C=C/c3ccccc3)CC2)s1 ZINC000020427220 539674602 /nfs/dbraw/zinc/67/46/02/539674602.db2.gz AREAVNINVMCXDR-VMPITWQZSA-N 1 2 357.483 2.116 50 0 FEAALO C[N@H+](Cc1ccc2c(c1)OCO2)[C@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000021698155 539686802 /nfs/dbraw/zinc/68/68/02/539686802.db2.gz VASRCRAATHWONE-FQEVSTJZSA-N 1 2 368.433 2.447 50 0 FEAALO C[N@@H+](Cc1ccc2c(c1)OCO2)[C@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000021698155 539686804 /nfs/dbraw/zinc/68/68/04/539686804.db2.gz VASRCRAATHWONE-FQEVSTJZSA-N 1 2 368.433 2.447 50 0 FEAALO CC(C)(C)OC(=O)N1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000021984957 539690331 /nfs/dbraw/zinc/69/03/31/539690331.db2.gz QMHODGIAXJQWCY-UHFFFAOYSA-N 1 2 373.453 2.225 50 0 FEAALO Cc1cc(CN2CC[NH+](CC(=O)N[C@H]3CCCc4ccccc43)CC2)no1 ZINC000022799315 539699707 /nfs/dbraw/zinc/69/97/07/539699707.db2.gz UEDSMWANFIGICA-FQEVSTJZSA-N 1 2 368.481 2.294 50 0 FEAALO CCCCc1cc(=O)[nH]c(-c2cccc(C[N@@H+]3CCO[C@H](CCO)C3)c2)n1 ZINC000023159015 539708742 /nfs/dbraw/zinc/70/87/42/539708742.db2.gz OVERUSUZQXQTJB-LJQANCHMSA-N 1 2 371.481 2.363 50 0 FEAALO CCCCc1cc(=O)[nH]c(-c2cccc(C[N@H+]3CCO[C@H](CCO)C3)c2)n1 ZINC000023159015 539708746 /nfs/dbraw/zinc/70/87/46/539708746.db2.gz OVERUSUZQXQTJB-LJQANCHMSA-N 1 2 371.481 2.363 50 0 FEAALO COC(=O)c1ccc(C(=O)N2CC[NH+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000023718136 539719499 /nfs/dbraw/zinc/71/94/99/539719499.db2.gz GPZILMLYMGADOA-UHFFFAOYSA-N 1 2 368.433 2.440 50 0 FEAALO Cc1nn(-c2ccccc2)c(C)c1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000023718018 539719471 /nfs/dbraw/zinc/71/94/71/539719471.db2.gz YPMMJNFXYPHPAW-UHFFFAOYSA-N 1 2 356.470 2.330 50 0 FEAALO COc1ccc(-c2nnc(C[NH+]3CCN(c4ccccn4)CC3)o2)cc1 ZINC000023818497 539720553 /nfs/dbraw/zinc/72/05/53/539720553.db2.gz NCMWRKANTBGDDI-UHFFFAOYSA-N 1 2 351.410 2.462 50 0 FEAALO CC(=O)Nc1ccc(C)c(S(=O)(=O)NCCc2cn3ccccc3[nH+]2)c1 ZINC000024471686 539732161 /nfs/dbraw/zinc/73/21/61/539732161.db2.gz XGIAOCSMTCKCKP-UHFFFAOYSA-N 1 2 372.450 2.122 50 0 FEAALO CN1C(=O)c2ccc(C(=O)Nc3cccc(Cn4cc[nH+]c4)c3)cc2C1=O ZINC000025178020 539750327 /nfs/dbraw/zinc/75/03/27/539750327.db2.gz JRUYOBZKNIFDOR-UHFFFAOYSA-N 1 2 360.373 2.410 50 0 FEAALO O=S(=O)(Cc1ccc(F)cc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000025367450 539758019 /nfs/dbraw/zinc/75/80/19/539758019.db2.gz ZQJVNRMJWJEXGW-UHFFFAOYSA-N 1 2 370.490 2.280 50 0 FEAALO O=C(COc1cccc(F)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000026539265 539788981 /nfs/dbraw/zinc/78/89/81/539788981.db2.gz VKCOZWVWYFGPQL-UHFFFAOYSA-N 1 2 372.396 2.278 50 0 FEAALO Cn1cc[nH+]c1[C@H](NC(=O)Cn1c(=O)cnc2ccccc21)c1ccccc1 ZINC000029067628 539842117 /nfs/dbraw/zinc/84/21/17/539842117.db2.gz YPUVWMYMUZIMQJ-HXUWFJFHSA-N 1 2 373.416 2.036 50 0 FEAALO Cc1nn(C)c(C)c1CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000029087892 539843055 /nfs/dbraw/zinc/84/30/55/539843055.db2.gz ONGKMDHUSCKBBC-GOSISDBHSA-N 1 2 355.417 2.358 50 0 FEAALO Cc1ccc(/C=C/C(=O)N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)o1 ZINC000029361401 539851672 /nfs/dbraw/zinc/85/16/72/539851672.db2.gz UHEJUBPVVREZHC-FDMDGMSGSA-N 1 2 359.470 2.146 50 0 FEAALO COc1ccc(CC(=O)NCc2cccnc2-n2cc[nH+]c2)cc1OC ZINC000029917461 539869279 /nfs/dbraw/zinc/86/92/79/539869279.db2.gz BNGPPWVASJIJAK-UHFFFAOYSA-N 1 2 352.394 2.143 50 0 FEAALO COc1c(C)c[nH+]c(CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)c1C ZINC000050448866 540406581 /nfs/dbraw/zinc/40/65/81/540406581.db2.gz QQUFVRRMFKUTSG-OAHLLOKOSA-N 1 2 355.442 2.030 50 0 FEAALO C=C1c2ccccc2C(=O)N1CC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000050448662 540406787 /nfs/dbraw/zinc/40/67/87/540406787.db2.gz JIVKWTBGDAHJTL-UHFFFAOYSA-N 1 2 351.406 2.450 50 0 FEAALO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)C1 ZINC000054274433 540580105 /nfs/dbraw/zinc/58/01/05/540580105.db2.gz UTJOECJLQARVSW-SWLSCSKDSA-N 1 2 364.829 2.247 50 0 FEAALO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)C1 ZINC000054274433 540580109 /nfs/dbraw/zinc/58/01/09/540580109.db2.gz UTJOECJLQARVSW-SWLSCSKDSA-N 1 2 364.829 2.247 50 0 FEAALO Cc1nnc(C2CC[NH+](CC(=O)Nc3ccc4c(c3)OCO4)CC2)s1 ZINC000049365599 209334586 /nfs/dbraw/zinc/33/45/86/209334586.db2.gz ZUDNLRGIFRGOOE-UHFFFAOYSA-N 1 2 360.439 2.393 50 0 FEAALO Cc1[nH]cc(-c2c(-c3ccccc3)ncn2CCN(C)S(C)(=O)=O)[nH+]1 ZINC000065462603 541240003 /nfs/dbraw/zinc/24/00/03/541240003.db2.gz LLEBPKIMWCEKIQ-UHFFFAOYSA-N 1 2 359.455 2.140 50 0 FEAALO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000065427033 541238018 /nfs/dbraw/zinc/23/80/18/541238018.db2.gz SQRZBVGHYBLYAV-GOSISDBHSA-N 1 2 359.393 2.030 50 0 FEAALO O=C(c1cc(C[NH+]2CCC(O)CC2)on1)N1CC[C@@H](c2ccccc2F)C1 ZINC000067446807 541466264 /nfs/dbraw/zinc/46/62/64/541466264.db2.gz UDFOJXFTRIRRMK-CQSZACIVSA-N 1 2 373.428 2.400 50 0 FEAALO O=C(c1ccc(NC2CCOCC2)nc1)N1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000067654333 541496000 /nfs/dbraw/zinc/49/60/00/541496000.db2.gz SOILPVNRHBJMJL-INIZCTEOSA-N 1 2 369.469 2.421 50 0 FEAALO Cc1ncc(C(=O)NCc2ccc[nH+]c2N(C)Cc2ccccc2)c(=O)[nH]1 ZINC000067818186 541517392 /nfs/dbraw/zinc/51/73/92/541517392.db2.gz SLSYIOVUTVPWEA-UHFFFAOYSA-N 1 2 363.421 2.040 50 0 FEAALO COc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(Cl)cc1OCC(=O)[O-] ZINC000097773184 209196793 /nfs/dbraw/zinc/19/67/93/209196793.db2.gz CULANKWHPSDBBW-SFHVURJKSA-N 1 2 368.861 2.388 50 0 FEAALO COc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(Cl)cc1OCC(=O)[O-] ZINC000097773184 209196789 /nfs/dbraw/zinc/19/67/89/209196789.db2.gz CULANKWHPSDBBW-SFHVURJKSA-N 1 2 368.861 2.388 50 0 FEAALO O=C(CCc1n[nH]c2c1CCCC2)N1CC[NH+](C2CCSCC2)CC1 ZINC000097601030 209188766 /nfs/dbraw/zinc/18/87/66/209188766.db2.gz WFKJVPUDWAJPMI-UHFFFAOYSA-N 1 2 362.543 2.261 50 0 FEAALO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Nc2cccc(Cl)c2F)CC1 ZINC000097595599 209187902 /nfs/dbraw/zinc/18/79/02/209187902.db2.gz ZNSDSVJSNVTWMP-LLVKDONJSA-N 1 2 368.840 2.296 50 0 FEAALO O=S(=O)(NCc1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000071748198 541769691 /nfs/dbraw/zinc/76/96/91/541769691.db2.gz NXHBHZTUKSSVIA-KPKJPENVSA-N 1 2 371.506 2.352 50 0 FEAALO O=C(c1cn(-c2ccccc2)nn1)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000072133530 541785227 /nfs/dbraw/zinc/78/52/27/541785227.db2.gz XTJVZVUPQZQNRP-UHFFFAOYSA-N 1 2 362.437 2.010 50 0 FEAALO O=C(c1cn(-c2ccccc2)nn1)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000072133530 541785230 /nfs/dbraw/zinc/78/52/30/541785230.db2.gz XTJVZVUPQZQNRP-UHFFFAOYSA-N 1 2 362.437 2.010 50 0 FEAALO Cc1nn2c(nc(C[N@@H+]3CCC[C@H](Nc4ccc(F)c(F)c4)C3)cc2=O)[nH]1 ZINC000072151764 541790021 /nfs/dbraw/zinc/79/00/21/541790021.db2.gz PFDOMHGBANDFCN-ZDUSSCGKSA-N 1 2 374.395 2.493 50 0 FEAALO Cc1nn2c(nc(C[N@H+]3CCC[C@H](Nc4ccc(F)c(F)c4)C3)cc2=O)[nH]1 ZINC000072151764 541790023 /nfs/dbraw/zinc/79/00/23/541790023.db2.gz PFDOMHGBANDFCN-ZDUSSCGKSA-N 1 2 374.395 2.493 50 0 FEAALO COc1cccc(-n2cc(C[N@H+](C)Cc3cnc(N(C)C)nc3)cn2)c1 ZINC000072164211 541793380 /nfs/dbraw/zinc/79/33/80/541793380.db2.gz IHNZDDOYRVIQMA-UHFFFAOYSA-N 1 2 352.442 2.369 50 0 FEAALO COc1cccc(-n2cc(C[N@@H+](C)Cc3cnc(N(C)C)nc3)cn2)c1 ZINC000072164211 541793385 /nfs/dbraw/zinc/79/33/85/541793385.db2.gz IHNZDDOYRVIQMA-UHFFFAOYSA-N 1 2 352.442 2.369 50 0 FEAALO COc1cccc(C(=O)N2CC[NH+](Cc3cnn(C)c3C3CC3)CC2)c1 ZINC000072169651 541794999 /nfs/dbraw/zinc/79/49/99/541794999.db2.gz AGSKQVKRYRWUAF-UHFFFAOYSA-N 1 2 354.454 2.264 50 0 FEAALO CCCCCCN(CC[NH+]1CCOCC1)c1nccc(-n2cccn2)n1 ZINC000072312217 541798888 /nfs/dbraw/zinc/79/88/88/541798888.db2.gz BMXWIDKYLBXLBL-UHFFFAOYSA-N 1 2 358.490 2.381 50 0 FEAALO Cc1ccc(C(=O)N2CCC[C@H](c3nnc(C[NH+]4CCCC4)n3C)C2)cn1 ZINC000072412140 541807482 /nfs/dbraw/zinc/80/74/82/541807482.db2.gz JLDDTWOXPOOABN-KRWDZBQOSA-N 1 2 368.485 2.134 50 0 FEAALO Cc1nc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3ccccc3)C2)no1 ZINC000072412362 541808151 /nfs/dbraw/zinc/80/81/51/541808151.db2.gz XYFLYSZZOBWKPI-ZWKOTPCHSA-N 1 2 354.454 2.434 50 0 FEAALO Cc1nc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3ccccc3)C2)no1 ZINC000072412362 541808153 /nfs/dbraw/zinc/80/81/53/541808153.db2.gz XYFLYSZZOBWKPI-ZWKOTPCHSA-N 1 2 354.454 2.434 50 0 FEAALO Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCCN(C(=O)CC(F)(F)F)C1 ZINC000072423962 541810154 /nfs/dbraw/zinc/81/01/54/541810154.db2.gz UOVSPTAFXSTPFQ-GFCCVEGCSA-N 1 2 359.396 2.069 50 0 FEAALO Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(C(=O)NCCc2ccccc2)C1 ZINC000072432307 541812319 /nfs/dbraw/zinc/81/23/19/541812319.db2.gz QTDUHLDLIOBLMM-QGZVFWFLSA-N 1 2 370.501 2.008 50 0 FEAALO Cc1[nH+]cn(-c2cc(NCCNC(=O)Cc3ccc(F)cc3)ncn2)c1C ZINC000072437695 541814278 /nfs/dbraw/zinc/81/42/78/541814278.db2.gz YGWRQZXMPMYCKN-UHFFFAOYSA-N 1 2 368.416 2.189 50 0 FEAALO CCc1nc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(Cc4ccccn4)C3)C2)no1 ZINC000072480157 541821101 /nfs/dbraw/zinc/82/11/01/541821101.db2.gz KWNDHDDUPRZZJZ-HXUWFJFHSA-N 1 2 369.469 2.432 50 0 FEAALO CCc1nc(C[N@H+]2CCC[C@@]3(CCC(=O)N(Cc4ccccn4)C3)C2)no1 ZINC000072480157 541821106 /nfs/dbraw/zinc/82/11/06/541821106.db2.gz KWNDHDDUPRZZJZ-HXUWFJFHSA-N 1 2 369.469 2.432 50 0 FEAALO CC(=O)N1CCc2[nH+]c(N(C)C)nc(NCCc3ccccc3)c2CC1 ZINC000072477575 541820157 /nfs/dbraw/zinc/82/01/57/541820157.db2.gz DNQRGHRHXHRFIK-UHFFFAOYSA-N 1 2 353.470 2.144 50 0 FEAALO Cc1nc(NC[C@@H]2CCCCO2)c2c([nH+]1)CCN(c1cnccn1)CC2 ZINC000072478683 541820162 /nfs/dbraw/zinc/82/01/62/541820162.db2.gz WZDBJHSOKOILGP-HNNXBMFYSA-N 1 2 354.458 2.161 50 0 FEAALO C[C@H](NC(=O)/C=C\c1ccccc1)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000097015735 209167410 /nfs/dbraw/zinc/16/74/10/209167410.db2.gz JZDYVKNOOSLDIK-YXVBKTCISA-N 1 2 370.478 2.288 50 0 FEAALO C[C@H](NC(=O)/C=C\c1ccccc1)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000097015735 209167413 /nfs/dbraw/zinc/16/74/13/209167413.db2.gz JZDYVKNOOSLDIK-YXVBKTCISA-N 1 2 370.478 2.288 50 0 FEAALO COc1cccc2c1OCC(C[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1)=C2 ZINC000097088449 209169839 /nfs/dbraw/zinc/16/98/39/209169839.db2.gz CLYDCIAGVPVQTB-AWEZNQCLSA-N 1 2 351.468 2.228 50 0 FEAALO COc1cccc2c1OCC(C[N@H+]1CCC[C@H](CS(C)(=O)=O)C1)=C2 ZINC000097088449 209169843 /nfs/dbraw/zinc/16/98/43/209169843.db2.gz CLYDCIAGVPVQTB-AWEZNQCLSA-N 1 2 351.468 2.228 50 0 FEAALO CCOc1ccc(NC(=O)C[C@@H]2[NH+]=C(N3C[C@H](C)C[C@H](C)C3)NC2=O)cc1 ZINC000013685069 220086419 /nfs/dbraw/zinc/08/64/19/220086419.db2.gz BIYLAXXTVMHDRX-VBQJREDUSA-N 1 2 372.469 2.246 50 0 FEAALO CCn1c(Cn2cc[nH+]c2)nnc1C1CCN(C(=O)c2ccoc2C)CC1 ZINC000096160987 209127943 /nfs/dbraw/zinc/12/79/43/209127943.db2.gz LPQNYOAPWBHGPH-UHFFFAOYSA-N 1 2 368.441 2.464 50 0 FEAALO Cc1cc(=O)[nH]c(CCNC(=O)Nc2ccc3[nH]c(C(C)C)[nH+]c3c2)n1 ZINC000096137776 209118754 /nfs/dbraw/zinc/11/87/54/209118754.db2.gz QWQQLQHUNQGOEO-UHFFFAOYSA-N 1 2 354.414 2.442 50 0 FEAALO CCOc1ccc(NCc2[nH+]ccn2CC)cc1S(=O)(=O)N(C)C ZINC000075107688 542153026 /nfs/dbraw/zinc/15/30/26/542153026.db2.gz IWHIKUWPVASLDR-UHFFFAOYSA-N 1 2 352.460 2.164 50 0 FEAALO Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCCCn3cc[nH+]c3)ccc12 ZINC000005207892 207086866 /nfs/dbraw/zinc/08/68/66/207086866.db2.gz NFRVBBOCGFMMQK-AWEZNQCLSA-N 1 2 355.394 2.272 50 0 FEAALO C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@H+](C)CC(=O)N1CCOCC1 ZINC000007607561 207198816 /nfs/dbraw/zinc/19/88/16/207198816.db2.gz LMUFRBWZAKHWCT-LLVKDONJSA-N 1 2 374.268 2.111 50 0 FEAALO C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@@H+](C)CC(=O)N1CCOCC1 ZINC000007607561 207198821 /nfs/dbraw/zinc/19/88/21/207198821.db2.gz LMUFRBWZAKHWCT-LLVKDONJSA-N 1 2 374.268 2.111 50 0 FEAALO Cc1cccn2cc(CN3c4ccc(S(N)(=O)=O)cc4C[C@@H]3C)[nH+]c12 ZINC000008746419 207246583 /nfs/dbraw/zinc/24/65/83/207246583.db2.gz SWKCCAMGWCPYIH-ZDUSSCGKSA-N 1 2 356.451 2.241 50 0 FEAALO C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2cn3ccccc3[nH+]2)C1=O ZINC000009338023 207267495 /nfs/dbraw/zinc/26/74/95/207267495.db2.gz UIXUKMXOVCRWKJ-LJQANCHMSA-N 1 2 364.361 2.030 50 0 FEAALO O=C(C[N@@H+]1CCc2sccc2C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000010341391 207299993 /nfs/dbraw/zinc/29/99/93/207299993.db2.gz OPHVWCOADFCUIU-UHFFFAOYSA-N 1 2 373.434 2.226 50 0 FEAALO O=C(C[N@H+]1CCc2sccc2C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000010341391 207299997 /nfs/dbraw/zinc/29/99/97/207299997.db2.gz OPHVWCOADFCUIU-UHFFFAOYSA-N 1 2 373.434 2.226 50 0 FEAALO Cn1ncc2c1nc[nH+]c2SCC(=O)N1CCC(c2ccccc2)=N1 ZINC000011682770 207318659 /nfs/dbraw/zinc/31/86/59/207318659.db2.gz ANPXKGPPLGGBSJ-UHFFFAOYSA-N 1 2 352.423 2.092 50 0 FEAALO CCN(Cc1[nH+]ccn1C)C(=O)c1ccc(NC[C@@H]2CCCOC2)nc1 ZINC000011819071 207323767 /nfs/dbraw/zinc/32/37/67/207323767.db2.gz AFORMXPVMUXJPM-HNNXBMFYSA-N 1 2 357.458 2.316 50 0 FEAALO CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000011662101 207316795 /nfs/dbraw/zinc/31/67/95/207316795.db2.gz HNAKGSHEJZRYEM-FQEVSTJZSA-N 1 2 373.428 2.437 50 0 FEAALO CCN(Cc1[nH+]ccn1C)C(=O)c1ccc(N[C@@H](C)c2cnn(C)c2)nc1 ZINC000011934436 207330398 /nfs/dbraw/zinc/33/03/98/207330398.db2.gz UHOGETCEBQDQJW-AWEZNQCLSA-N 1 2 367.457 2.384 50 0 FEAALO Cc1nn(C)cc1CNC(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000012005040 207332262 /nfs/dbraw/zinc/33/22/62/207332262.db2.gz TUFIYNLYVFHTCT-UHFFFAOYSA-N 1 2 353.426 2.279 50 0 FEAALO Cc1nn(C)cc1CNC(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000012005040 207332265 /nfs/dbraw/zinc/33/22/65/207332265.db2.gz TUFIYNLYVFHTCT-UHFFFAOYSA-N 1 2 353.426 2.279 50 0 FEAALO C[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000012027148 207333758 /nfs/dbraw/zinc/33/37/58/207333758.db2.gz SNDACYNBPLXGBR-HXUWFJFHSA-N 1 2 365.477 2.145 50 0 FEAALO C[N@H+]1CCNC(=O)[C@H]1CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000012027148 207333762 /nfs/dbraw/zinc/33/37/62/207333762.db2.gz SNDACYNBPLXGBR-HXUWFJFHSA-N 1 2 365.477 2.145 50 0 FEAALO Cc1cc(C(=O)NCc2ccc[nH+]c2N(C)CCc2ccccn2)[nH]n1 ZINC000012299589 207355357 /nfs/dbraw/zinc/35/53/57/207355357.db2.gz ZQMISLMWGVAUSU-UHFFFAOYSA-N 1 2 350.426 2.117 50 0 FEAALO COc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NC1CCCCCC1 ZINC000012315878 207359902 /nfs/dbraw/zinc/35/99/02/207359902.db2.gz XQMVKJQCHWMJHB-SFHVURJKSA-N 1 2 373.497 2.225 50 0 FEAALO COc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)NC1CCCCCC1 ZINC000012315878 207359908 /nfs/dbraw/zinc/35/99/08/207359908.db2.gz XQMVKJQCHWMJHB-SFHVURJKSA-N 1 2 373.497 2.225 50 0 FEAALO NC(=O)Cn1c(SCc2cn3ccccc3[nH+]2)nnc1-c1cccs1 ZINC000012544630 207388963 /nfs/dbraw/zinc/38/89/63/207388963.db2.gz JBMYNFBVCVRUNJ-UHFFFAOYSA-N 1 2 370.463 2.432 50 0 FEAALO CCc1ccc(Oc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)cc1 ZINC000012537269 207390107 /nfs/dbraw/zinc/39/01/07/207390107.db2.gz JDRBPYYYAHCOJW-UHFFFAOYSA-N 1 2 361.467 2.372 50 0 FEAALO Cn1cc[nH+]c1[C@H](NC(=O)CNC(=O)c1ccccc1)c1ccc(F)cc1 ZINC000012560169 207393597 /nfs/dbraw/zinc/39/35/97/207393597.db2.gz STLZQHXPHMVPDG-GOSISDBHSA-N 1 2 366.396 2.195 50 0 FEAALO C1=Nc2ccccc2/C1=C1/NN=C(SCC[NH+]2CCOCC2)N1C1CC1 ZINC000023652678 207852366 /nfs/dbraw/zinc/85/23/66/207852366.db2.gz RRJCCTNBQGFHGT-VLGSPTGOSA-N 1 2 369.494 2.475 50 0 FEAALO Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000032987885 208062793 /nfs/dbraw/zinc/06/27/93/208062793.db2.gz SUTCDZFCPPUCPY-IBGZPJMESA-N 1 2 368.481 2.426 50 0 FEAALO Cc1cc(C)cc(OC[C@H](O)C[N@@H+](C)Cc2nc3ccccc3c(=O)[nH]2)c1 ZINC000033015086 208067716 /nfs/dbraw/zinc/06/77/16/208067716.db2.gz VMPHDWCBNRKCPE-MRXNPFEDSA-N 1 2 367.449 2.412 50 0 FEAALO Cc1cc(C)cc(OC[C@H](O)C[N@H+](C)Cc2nc3ccccc3c(=O)[nH]2)c1 ZINC000033015086 208067720 /nfs/dbraw/zinc/06/77/20/208067720.db2.gz VMPHDWCBNRKCPE-MRXNPFEDSA-N 1 2 367.449 2.412 50 0 FEAALO CC1CC[NH+](Cc2csc(NC(=O)CN3CCSC3=O)n2)CC1 ZINC000039995554 208216322 /nfs/dbraw/zinc/21/63/22/208216322.db2.gz QZXYAGPHAGUTFJ-UHFFFAOYSA-N 1 2 354.501 2.482 50 0 FEAALO Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NCCn2cc[nH+]c2)cc1 ZINC000040043264 208219218 /nfs/dbraw/zinc/21/92/18/208219218.db2.gz MNOJRCWGWBSFGA-UHFFFAOYSA-N 1 2 356.455 2.319 50 0 FEAALO C[NH+](C)[C@H](CNC(=O)c1ccccc1S(C)(=O)=O)c1cccs1 ZINC000041795434 208285863 /nfs/dbraw/zinc/28/58/63/208285863.db2.gz CIRGYUXJHVCZHN-CYBMUJFWSA-N 1 2 352.481 2.184 50 0 FEAALO C[NH+](C)[C@H](CNC(=O)CCS(=O)(=O)C1CCCC1)c1cccs1 ZINC000047718315 208382252 /nfs/dbraw/zinc/38/22/52/208382252.db2.gz GMTJKUHSDKEWFQ-CQSZACIVSA-N 1 2 358.529 2.215 50 0 FEAALO CCn1c(C[NH+](C)C)nnc1C1CCN(C(=O)CCc2cccnc2)CC1 ZINC000077338651 542368567 /nfs/dbraw/zinc/36/85/67/542368567.db2.gz AQKUDCKTNPNDJH-UHFFFAOYSA-N 1 2 370.501 2.093 50 0 FEAALO Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(C(=O)/C=C/c2ccccc2)C1 ZINC000077353339 542371441 /nfs/dbraw/zinc/37/14/41/542371441.db2.gz 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CCn1ncc(S(=O)(=O)N2CC[NH+](Cc3ccc(C)cc3)CC2)c1C ZINC000017074641 539639374 /nfs/dbraw/zinc/63/93/74/539639374.db2.gz JDCIITQIJLIPBG-UHFFFAOYSA-N 1 2 362.499 2.026 50 0 FEAALO Cc1ccc(C[NH+]2CCN(S(=O)(=O)c3cccc4nonc43)CC2)cc1 ZINC000017076283 539639437 /nfs/dbraw/zinc/63/94/37/539639437.db2.gz OVYTWRLHCVXTEW-UHFFFAOYSA-N 1 2 372.450 2.038 50 0 FEAALO COc1cc(OC)c(OC)cc1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000019361216 539655997 /nfs/dbraw/zinc/65/59/97/539655997.db2.gz VTPBRLRBOHIIDF-UHFFFAOYSA-N 1 2 357.454 2.425 50 0 FEAALO COc1cc(OC)c(OC)cc1C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000019361216 539656001 /nfs/dbraw/zinc/65/60/01/539656001.db2.gz VTPBRLRBOHIIDF-UHFFFAOYSA-N 1 2 357.454 2.425 50 0 FEAALO COc1ccccc1N1CC[NH+]([C@@H]2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000019536941 539659496 /nfs/dbraw/zinc/65/94/96/539659496.db2.gz UIGHCCFLBGMWNU-GOSISDBHSA-N 1 2 365.433 2.149 50 0 FEAALO O=C1C[C@@H]([NH+]2CCSCC2)C(=O)N1c1cccc(Br)c1 ZINC000019757370 539668989 /nfs/dbraw/zinc/66/89/89/539668989.db2.gz 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CC[NH+]1CCN(C(=O)[C@@H](C)Sc2n[nH]c(-c3ccc(C)cc3)n2)CC1 ZINC000032944911 539960995 /nfs/dbraw/zinc/96/09/95/539960995.db2.gz CJIIXRHGWHPYPB-CQSZACIVSA-N 1 2 359.499 2.425 50 0 FEAALO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nc(-c3ccc(C)cc3)n[nH]2)CC1 ZINC000032944911 539961000 /nfs/dbraw/zinc/96/10/00/539961000.db2.gz CJIIXRHGWHPYPB-CQSZACIVSA-N 1 2 359.499 2.425 50 0 FEAALO CCc1ccc([C@@H](C)NC(=O)C[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000036390082 539990048 /nfs/dbraw/zinc/99/00/48/539990048.db2.gz JCDQSYFHDWRMTD-MRXNPFEDSA-N 1 2 353.470 2.038 50 0 FEAALO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000040030626 540004370 /nfs/dbraw/zinc/00/43/70/540004370.db2.gz UIZPAYUZYPEIOE-IBGZPJMESA-N 1 2 374.506 2.483 50 0 FEAALO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000040030626 540004371 /nfs/dbraw/zinc/00/43/71/540004371.db2.gz UIZPAYUZYPEIOE-IBGZPJMESA-N 1 2 374.506 2.483 50 0 FEAALO COCCOc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cn1 ZINC000058139691 540829713 /nfs/dbraw/zinc/82/97/13/540829713.db2.gz MKDPGKIPGMRTLR-UHFFFAOYSA-N 1 2 371.441 2.424 50 0 FEAALO O=C(C[NH+]1CCC(O)CC1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000058191914 540832852 /nfs/dbraw/zinc/83/28/52/540832852.db2.gz KKLZAUMZVDKNNK-UHFFFAOYSA-N 1 2 359.451 2.396 50 0 FEAALO CCN(CC)c1ccc(C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)cc1 ZINC000106290113 209272580 /nfs/dbraw/zinc/27/25/80/209272580.db2.gz PGNXKSQPKIXDOW-UHFFFAOYSA-N 1 2 355.486 2.224 50 0 FEAALO Cc1cc(C)cc(C(=O)N[C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000065212812 541229132 /nfs/dbraw/zinc/22/91/32/541229132.db2.gz CUVFODBXAZQUSV-KRWDZBQOSA-N 1 2 366.465 2.166 50 0 FEAALO O=C(c1ccsc1)N1CC[NH+](Cc2ccc(=O)n(CC3CC3)c2)CC1 ZINC000065285942 541232883 /nfs/dbraw/zinc/23/28/83/541232883.db2.gz TZTQNHLSYVTTNU-UHFFFAOYSA-N 1 2 357.479 2.278 50 0 FEAALO Cc1ccc2[nH+]c3c(n2c1)[C@@H](c1cnc(N2CCCC2)nc1)CC(=O)NC3 ZINC000065370191 541235290 /nfs/dbraw/zinc/23/52/90/541235290.db2.gz YONZNMDOKJRGQY-OAHLLOKOSA-N 1 2 362.437 2.185 50 0 FEAALO COC(=O)c1ccc(CNC(=O)C[N@@H+]2CCCC[C@H]2c2cccnc2)o1 ZINC000065467328 541240029 /nfs/dbraw/zinc/24/00/29/541240029.db2.gz RFBVQDDRDVSBJA-INIZCTEOSA-N 1 2 357.410 2.305 50 0 FEAALO COC(=O)c1ccc(CNC(=O)C[N@H+]2CCCC[C@H]2c2cccnc2)o1 ZINC000065467328 541240032 /nfs/dbraw/zinc/24/00/32/541240032.db2.gz RFBVQDDRDVSBJA-INIZCTEOSA-N 1 2 357.410 2.305 50 0 FEAALO COc1cc(N2CC[NH+](Cc3cnn(-c4cccc(C)c4)c3)CC2)ncn1 ZINC000065397588 541236082 /nfs/dbraw/zinc/23/60/82/541236082.db2.gz JVEFECZRILLBGI-UHFFFAOYSA-N 1 2 364.453 2.302 50 0 FEAALO Cc1ccccc1C(=O)N1CC[NH+](CCNC(=O)c2ccsc2)CC1 ZINC000042382976 209258582 /nfs/dbraw/zinc/25/85/82/209258582.db2.gz HACFEQOICTXYDN-UHFFFAOYSA-N 1 2 357.479 2.244 50 0 FEAALO CCOC(=O)C1C(C[NH+]2CCCC2)=NC(=O)N[C@@H]1c1ccc(F)c(F)c1 ZINC000067285920 541440817 /nfs/dbraw/zinc/44/08/17/541440817.db2.gz QZADEVXFMHEQDK-MRXNPFEDSA-N 1 2 365.380 2.232 50 0 FEAALO Cc1ccc(-c2cc(O)c3c(c2)C[N@@H+](CCc2nn[nH]n2)CCO3)s1 ZINC000067691192 541499801 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O=C(CCc1cc(=O)[nH]o1)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071419427 541767704 /nfs/dbraw/zinc/76/77/04/541767704.db2.gz GUJXEHOQIPOWJI-DUXKGJEZSA-N 1 2 367.449 2.402 50 0 FEAALO COc1ccc(-n2ccnc2C[NH+]2CCC(N3CCCC3=O)CC2)cc1 ZINC000071745523 541769892 /nfs/dbraw/zinc/76/98/92/541769892.db2.gz ZYLPMWRGHKSKMX-UHFFFAOYSA-N 1 2 354.454 2.468 50 0 FEAALO Cc1[nH+]cn(-c2cc(NCCNC(=O)c3cccc(C)c3)ncn2)c1C ZINC000072117469 541783929 /nfs/dbraw/zinc/78/39/29/541783929.db2.gz CWKJGPIPANMMMM-UHFFFAOYSA-N 1 2 350.426 2.429 50 0 FEAALO COc1ccccc1NC(=O)NCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000072117299 541783437 /nfs/dbraw/zinc/78/34/37/541783437.db2.gz LNNUUMMVFUYWNL-UHFFFAOYSA-N 1 2 356.430 2.319 50 0 FEAALO COc1ccccc1NC(=O)NCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000072117299 541783441 /nfs/dbraw/zinc/78/34/41/541783441.db2.gz LNNUUMMVFUYWNL-UHFFFAOYSA-N 1 2 356.430 2.319 50 0 FEAALO Cc1cccc(OC[C@H](O)CN(C(=O)NCCCn2cc[nH+]c2)C(C)C)c1 ZINC000072305571 541798285 /nfs/dbraw/zinc/79/82/85/541798285.db2.gz 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ZINC000014246680 539599886 /nfs/dbraw/zinc/59/98/86/539599886.db2.gz BAIYQYBEOPPHGN-FQEVSTJZSA-N 1 2 370.449 2.335 50 0 FEAALO COc1cc(OC)cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000014246680 539599889 /nfs/dbraw/zinc/59/98/89/539599889.db2.gz BAIYQYBEOPPHGN-FQEVSTJZSA-N 1 2 370.449 2.335 50 0 FEAALO CC(C)CN1C[C@H](OCc2cccnc2)C[N@H+](Cc2cccnc2)CC1=O ZINC000014533009 539604245 /nfs/dbraw/zinc/60/42/45/539604245.db2.gz SBNNATCWANTPPC-HXUWFJFHSA-N 1 2 368.481 2.362 50 0 FEAALO CC(C)CN1C[C@H](OCc2cccnc2)C[N@@H+](Cc2cccnc2)CC1=O ZINC000014533009 539604247 /nfs/dbraw/zinc/60/42/47/539604247.db2.gz SBNNATCWANTPPC-HXUWFJFHSA-N 1 2 368.481 2.362 50 0 FEAALO CCOCCCNC(=O)C1([N@H+]2C[C@@H](C)O[C@@H](C)C2)Cc2ccccc2C1 ZINC000014963610 539608417 /nfs/dbraw/zinc/60/84/17/539608417.db2.gz XAAHRPKACDCZEO-CALCHBBNSA-N 1 2 360.498 2.176 50 0 FEAALO CCOCCCNC(=O)C1([N@@H+]2C[C@@H](C)O[C@@H](C)C2)Cc2ccccc2C1 ZINC000014963610 539608422 /nfs/dbraw/zinc/60/84/22/539608422.db2.gz XAAHRPKACDCZEO-CALCHBBNSA-N 1 2 360.498 2.176 50 0 FEAALO COc1cc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc(OC)c1OC ZINC000018172784 539647054 /nfs/dbraw/zinc/64/70/54/539647054.db2.gz CHJZWJNBAFZJPY-UHFFFAOYSA-N 1 2 372.425 2.462 50 0 FEAALO [NH3+]CC(=O)Oc1ccc2c(c1)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000019703050 539666190 /nfs/dbraw/zinc/66/61/90/539666190.db2.gz VMRQYSUTTHLPME-UHFFFAOYSA-N 1 2 353.330 2.095 50 0 FEAALO Clc1ccc(-n2ncc3c2ncnc3NCC[NH+]2CCOCC2)cc1 ZINC000019928403 539670683 /nfs/dbraw/zinc/67/06/83/539670683.db2.gz ALPSMPXMGQWGAF-UHFFFAOYSA-N 1 2 358.833 2.213 50 0 FEAALO COc1c2c(cc3c1[C@@H](CC(=O)CCn1cccn1)[N@H+](C)CC3)OCO2 ZINC000020111921 539672382 /nfs/dbraw/zinc/67/23/82/539672382.db2.gz FQUNUXZWGCFXRJ-OAHLLOKOSA-N 1 2 357.410 2.199 50 0 FEAALO COc1c2c(cc3c1[C@@H](CC(=O)CCn1cccn1)[N@@H+](C)CC3)OCO2 ZINC000020111921 539672383 /nfs/dbraw/zinc/67/23/83/539672383.db2.gz FQUNUXZWGCFXRJ-OAHLLOKOSA-N 1 2 357.410 2.199 50 0 FEAALO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cc(=O)c3ccccc3o2)C[C@H](C)O1 ZINC000021056228 539680159 /nfs/dbraw/zinc/68/01/59/539680159.db2.gz PGMQMFMKOAWWLW-OKILXGFUSA-N 1 2 358.438 2.411 50 0 FEAALO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cc(=O)c3ccccc3o2)C[C@H](C)O1 ZINC000021056228 539680160 /nfs/dbraw/zinc/68/01/60/539680160.db2.gz PGMQMFMKOAWWLW-OKILXGFUSA-N 1 2 358.438 2.411 50 0 FEAALO FC(F)n1ccnc1CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022924311 539702608 /nfs/dbraw/zinc/70/26/08/539702608.db2.gz FUFNTYWUHRZUJT-UHFFFAOYSA-N 1 2 350.369 2.325 50 0 FEAALO c1c(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc2ccccn12 ZINC000022868524 539701372 /nfs/dbraw/zinc/70/13/72/539701372.db2.gz CCAAKQVJLMVSJT-UHFFFAOYSA-N 1 2 350.422 2.381 50 0 FEAALO CCNC(=O)N1CCC(n2cc(Cn3c(C)[nH+]c4ccccc43)nn2)CC1 ZINC000023231962 539709269 /nfs/dbraw/zinc/70/92/69/539709269.db2.gz APDWPEJSYCNTIE-UHFFFAOYSA-N 1 2 367.457 2.351 50 0 FEAALO O=C(NCc1cn2ccccc2[nH+]1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000023110542 539706148 /nfs/dbraw/zinc/70/61/48/539706148.db2.gz WUKUBMXHTXIXQJ-KRWDZBQOSA-N 1 2 374.444 2.492 50 0 FEAALO CC(=O)N[C@H](C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1)C(C)C ZINC000023549039 539716962 /nfs/dbraw/zinc/71/69/62/539716962.db2.gz DCDRLEKDKNTYAM-KRWDZBQOSA-N 1 2 351.878 2.145 50 0 FEAALO COc1cc(C(=O)NCC(C)(C)[NH+]2CCOCC2)ccc1OC(F)F ZINC000023641576 539717449 /nfs/dbraw/zinc/71/74/49/539717449.db2.gz XHSCJAUTGSUBKJ-UHFFFAOYSA-N 1 2 358.385 2.137 50 0 FEAALO O=C(Cc1cn2ccsc2n1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000023641921 539717578 /nfs/dbraw/zinc/71/75/78/539717578.db2.gz NLDSSEVSOIONTQ-UHFFFAOYSA-N 1 2 370.478 2.162 50 0 FEAALO O=C(C[NH+]1CCN(c2ccccn2)CC1)NCCc1ccc(Cl)cc1 ZINC000023995465 539723744 /nfs/dbraw/zinc/72/37/44/539723744.db2.gz NBVFTIBLKQMEHT-UHFFFAOYSA-N 1 2 358.873 2.216 50 0 FEAALO CCOC(=O)c1sc2nc(C)nc(NCC[NH+]3CCOCC3)c2c1C ZINC000025265330 539752696 /nfs/dbraw/zinc/75/26/96/539752696.db2.gz IGHYZVFKVWKWFT-UHFFFAOYSA-N 1 2 364.471 2.229 50 0 FEAALO COCC[NH+](CCOC)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000026228019 539781651 /nfs/dbraw/zinc/78/16/51/539781651.db2.gz 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C[C@@H]1CN(c2ccc(CNC(=O)c3ccc4c(c3)OCO4)c[nH+]2)C[C@@H](C)O1 ZINC000032930450 539960450 /nfs/dbraw/zinc/96/04/50/539960450.db2.gz MRNDVKBDYIYVMM-ZIAGYGMSSA-N 1 2 369.421 2.354 50 0 FEAALO Cc1nn(C)c(C)c1NC(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000036389908 539990466 /nfs/dbraw/zinc/99/04/66/539990466.db2.gz NTFDJKXIWQWZPT-UHFFFAOYSA-N 1 2 361.877 2.451 50 0 FEAALO CC(C)(CNC(=O)CCc1cnn(-c2ccccc2)c1)[NH+]1CCOCC1 ZINC000040009462 540003891 /nfs/dbraw/zinc/00/38/91/540003891.db2.gz SOVNZHADEAEDPS-UHFFFAOYSA-N 1 2 356.470 2.032 50 0 FEAALO C[N@H+](CC(=O)NCCc1csc(-c2cccnc2)n1)Cc1ccccn1 ZINC000223898657 209772122 /nfs/dbraw/zinc/77/21/22/209772122.db2.gz AHWXBUMYRFVEBQ-UHFFFAOYSA-N 1 2 367.478 2.391 50 0 FEAALO C[N@@H+](CC(=O)NCCc1csc(-c2cccnc2)n1)Cc1ccccn1 ZINC000223898657 209772126 /nfs/dbraw/zinc/77/21/26/209772126.db2.gz AHWXBUMYRFVEBQ-UHFFFAOYSA-N 1 2 367.478 2.391 50 0 FEAALO Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(N3CCC(C(N)=O)CC3)c12 ZINC000040456199 540010521 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CC(C)[C@@H](C(=O)Nc1ccc(N2CCNC2=O)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000058265462 540836558 /nfs/dbraw/zinc/83/65/58/540836558.db2.gz SBYYRAXEEKWANK-RKVPGOIHSA-N 1 2 374.485 2.289 50 0 FEAALO CC[NH+]1CCN(S(=O)(=O)c2c(C)sc(C)c2-c2ccno2)CC1 ZINC000064845199 541219698 /nfs/dbraw/zinc/21/96/98/541219698.db2.gz SMAMBYNGVGBWIP-UHFFFAOYSA-N 1 2 355.485 2.346 50 0 FEAALO CCN(CC)c1[nH+]cnc2c1cnn2CC(=O)NCc1ccc(C)cc1 ZINC000065295888 541233511 /nfs/dbraw/zinc/23/35/11/541233511.db2.gz ZWPCZQJTDSMPIV-UHFFFAOYSA-N 1 2 352.442 2.297 50 0 FEAALO C[N@@H+]1CCCn2nc(C(=O)NCCOc3cccc4cccnc43)cc2C1 ZINC000065380626 541235240 /nfs/dbraw/zinc/23/52/40/541235240.db2.gz VDKIXZAOCMWHOD-UHFFFAOYSA-N 1 2 365.437 2.076 50 0 FEAALO C[N@H+]1CCCn2nc(C(=O)NCCOc3cccc4cccnc43)cc2C1 ZINC000065380626 541235242 /nfs/dbraw/zinc/23/52/42/541235242.db2.gz VDKIXZAOCMWHOD-UHFFFAOYSA-N 1 2 365.437 2.076 50 0 FEAALO O=C(NC[C@H]1CCCO1)c1cc2n(n1)CCC[N@H+](Cc1ccccc1)C2 ZINC000065393452 541235933 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C[C@@H](C(=O)NCc1cccnc1N(C)CCc1ccccn1)n1cc[nH+]c1 ZINC000067541151 541478024 /nfs/dbraw/zinc/47/80/24/541478024.db2.gz WJNLLLYPMPWSKZ-INIZCTEOSA-N 1 2 364.453 2.229 50 0 FEAALO CCOC(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(F)ccc1F)C2 ZINC000067675428 541497963 /nfs/dbraw/zinc/49/79/63/541497963.db2.gz PECOIDCRLNYAJQ-LJQANCHMSA-N 1 2 366.408 2.456 50 0 FEAALO CCOC(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(F)ccc1F)C2 ZINC000067675428 541497967 /nfs/dbraw/zinc/49/79/67/541497967.db2.gz PECOIDCRLNYAJQ-LJQANCHMSA-N 1 2 366.408 2.456 50 0 FEAALO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC2(CC1)CCNC(=O)CC2 ZINC000067712666 541503837 /nfs/dbraw/zinc/50/38/37/541503837.db2.gz ZFJVLPHCVPFSJW-UHFFFAOYSA-N 1 2 354.454 2.094 50 0 FEAALO Cc1ccsc1CCNC(=O)C1=C(C)NC(=O)N[C@@H]1c1[nH]c[nH+]c1C ZINC000067847625 541519730 /nfs/dbraw/zinc/51/97/30/541519730.db2.gz SGEYOQKSAXBEMU-HNNXBMFYSA-N 1 2 359.455 2.075 50 0 FEAALO COC(=O)Cc1cc(C2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)[nH]n1 ZINC000067947098 541531610 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O=S(=O)(C1CC1)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095360946 209027733 /nfs/dbraw/zinc/02/77/33/209027733.db2.gz LHJGUBAKPFROJS-RCCFBDPRSA-N 1 2 368.449 2.319 50 0 FEAALO CSc1cccc([C@@H](C(=O)[O-])N2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000095361334 209028257 /nfs/dbraw/zinc/02/82/57/209028257.db2.gz OAWMQQWWZODDPV-SFHVURJKSA-N 1 2 363.527 2.246 50 0 FEAALO c1c(CN2CCN(Cc3nnc(C4CCC4)o3)CC2)[nH+]c2ccccn12 ZINC000095958272 209090568 /nfs/dbraw/zinc/09/05/68/209090568.db2.gz MSIMGXWLYIBODU-UHFFFAOYSA-N 1 2 352.442 2.303 50 0 FEAALO CCc1[nH+]c2ccccc2n1[C@@H](CC)C(=O)NCCc1nc(C)cc(=O)[nH]1 ZINC000095380123 209041104 /nfs/dbraw/zinc/04/11/04/209041104.db2.gz ACVYAGCLGRXGPW-HNNXBMFYSA-N 1 2 367.453 2.300 50 0 FEAALO Cc1cnn(CC(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)c1 ZINC000095517892 209070718 /nfs/dbraw/zinc/07/07/18/209070718.db2.gz MNDGIEQJEHRDPN-GOSISDBHSA-N 1 2 364.453 2.238 50 0 FEAALO O=C(Cn1cc[nH+]c1-c1ccccc1)N1CCCO[C@@H](Cn2cccn2)C1 ZINC000095515299 209071128 /nfs/dbraw/zinc/07/11/28/209071128.db2.gz PLCCBDRFZRHHDN-GOSISDBHSA-N 1 2 365.437 2.064 50 0 FEAALO CCCOc1ccccc1C(=O)N1CCC(c2[nH+]ccn2CC(N)=O)CC1 ZINC000095518060 209071304 /nfs/dbraw/zinc/07/13/04/209071304.db2.gz YKKQYOFKNOFUJJ-UHFFFAOYSA-N 1 2 370.453 2.177 50 0 FEAALO O=C(CC[C@H]1CCCN(C(=O)C2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000095529236 132215015 /nfs/dbraw/zinc/21/50/15/132215015.db2.gz HSJNAEJREHAORD-QGZVFWFLSA-N 1 2 370.497 2.159 50 0 FEAALO CCC1=NO[C@@H](C[NH+]2CCN(c3cc(=O)[nH]nc3-c3ccccc3)CC2)C1 ZINC000252482145 132292256 /nfs/dbraw/zinc/29/22/56/132292256.db2.gz CZPQSLZYPBAVRL-QGZVFWFLSA-N 1 2 367.453 2.114 50 0 FEAALO Cc1cccc(-n2ncc3c2nc[nH+]c3N2CCC3(CC2)OCCO3)c1 ZINC000000792113 132378528 /nfs/dbraw/zinc/37/85/28/132378528.db2.gz QPAZDBLSPLVXKS-UHFFFAOYSA-N 1 2 351.410 2.467 50 0 FEAALO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000043305678 132950508 /nfs/dbraw/zinc/95/05/08/132950508.db2.gz JUSYQQAIYZRKHP-CQSZACIVSA-N 1 2 371.403 2.075 50 0 FEAALO CC(=O)N1CCCCC[C@@H]1C1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000071889372 136141410 /nfs/dbraw/zinc/14/14/10/136141410.db2.gz IQPAGUMZTKKVPM-QGZVFWFLSA-N 1 2 356.474 2.371 50 0 FEAALO Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)N2CCN(c3ccccc3O)CC2)n1 ZINC000072308491 136144164 /nfs/dbraw/zinc/14/41/64/136144164.db2.gz FMFHMFTYMKLQCP-QGZVFWFLSA-N 1 2 368.481 2.265 50 0 FEAALO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)N2CCN(c3ccccc3O)CC2)n1 ZINC000072308491 136144165 /nfs/dbraw/zinc/14/41/65/136144165.db2.gz FMFHMFTYMKLQCP-QGZVFWFLSA-N 1 2 368.481 2.265 50 0 FEAALO CCOc1ccc(CN2CC[N@H+](Cc3ccc(CO)o3)C[C@H]2CCO)cc1 ZINC000104500841 543132592 /nfs/dbraw/zinc/13/25/92/543132592.db2.gz MGTXXKGGNXJZBX-GOSISDBHSA-N 1 2 374.481 2.239 50 0 FEAALO CCOc1ccc(CN2CC[N@@H+](Cc3ccc(CO)o3)C[C@H]2CCO)cc1 ZINC000104500841 543132596 /nfs/dbraw/zinc/13/25/96/543132596.db2.gz MGTXXKGGNXJZBX-GOSISDBHSA-N 1 2 374.481 2.239 50 0 FEAALO Cc1nc2n(c1C(=O)N(C)C)CC[N@@H+](C[C@@H]1CCOc3ccccc3C1)C2 ZINC000095522511 209074151 /nfs/dbraw/zinc/07/41/51/209074151.db2.gz BVHVLIFUPMSTKB-MRXNPFEDSA-N 1 2 368.481 2.350 50 0 FEAALO Cc1nc2n(c1C(=O)N(C)C)CC[N@H+](C[C@@H]1CCOc3ccccc3C1)C2 ZINC000095522511 209074155 /nfs/dbraw/zinc/07/41/55/209074155.db2.gz BVHVLIFUPMSTKB-MRXNPFEDSA-N 1 2 368.481 2.350 50 0 FEAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc(C(C)(C)C)nc(=O)[nH]2)C1 ZINC000095530891 209079714 /nfs/dbraw/zinc/07/97/14/209079714.db2.gz KCOIMOLEZQUWNK-ZDUSSCGKSA-N 1 2 357.458 2.304 50 0 FEAALO Cn1c(CCNC(=O)N2CCC[C@H](Cn3cc[nH+]c3)C2)nc2ccccc21 ZINC000426707482 263662465 /nfs/dbraw/zinc/66/24/65/263662465.db2.gz ULSVKJPUQQEIGI-MRXNPFEDSA-N 1 2 366.469 2.434 50 0 FEAALO CCn1cc([C@@H]2C[N@H+](Cc3cc(-c4cnn(C)c4C)no3)CCO2)cn1 ZINC000190797049 328233152 /nfs/dbraw/zinc/23/31/52/328233152.db2.gz LZIJOSNTIRPQJP-SFHVURJKSA-N 1 2 356.430 2.173 50 0 FEAALO CCn1cc([C@@H]2C[N@@H+](Cc3cc(-c4cnn(C)c4C)no3)CCO2)cn1 ZINC000190797049 328233153 /nfs/dbraw/zinc/23/31/53/328233153.db2.gz LZIJOSNTIRPQJP-SFHVURJKSA-N 1 2 356.430 2.173 50 0 FEAALO CCn1c(Cn2cccn2)nnc1C1CC[NH+](Cc2cscn2)CC1 ZINC000091664778 523203501 /nfs/dbraw/zinc/20/35/01/523203501.db2.gz LASQHVKZCASXGI-UHFFFAOYSA-N 1 2 357.487 2.379 50 0 FEAALO COc1ccccc1-c1cnn2c1nc(C)cc2NCC[NH+]1CCOCC1 ZINC000020566066 524274459 /nfs/dbraw/zinc/27/44/59/524274459.db2.gz ZQUZMHVGROVSJA-UHFFFAOYSA-N 1 2 367.453 2.457 50 0 FEAALO Cc1ccnn1CC(=O)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000091664578 525774216 /nfs/dbraw/zinc/77/42/16/525774216.db2.gz WONDPJZQJPVLBU-UHFFFAOYSA-N 1 2 364.453 2.238 50 0 FEAALO Cc1ccc(C(=O)Nc2ccccc2C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000020725452 526226744 /nfs/dbraw/zinc/22/67/44/526226744.db2.gz RYGWDIWEDDKLTA-UHFFFAOYSA-N 1 2 367.449 2.309 50 0 FEAALO O=C(C1CCCC1)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000082086670 526297745 /nfs/dbraw/zinc/29/77/45/526297745.db2.gz YLCMJRNMIRDQGP-FQEVSTJZSA-N 1 2 358.486 2.374 50 0 FEAALO O=C(C1CCCC1)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000082086670 526297749 /nfs/dbraw/zinc/29/77/49/526297749.db2.gz YLCMJRNMIRDQGP-FQEVSTJZSA-N 1 2 358.486 2.374 50 0 FEAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)NC1CCCCCC1 ZINC000020493967 526774584 /nfs/dbraw/zinc/77/45/84/526774584.db2.gz NNNWRCCAPZLTLL-UHFFFAOYSA-N 1 2 373.497 2.372 50 0 FEAALO Cc1[nH+]c[nH]c1CSCCNC(=O)[C@@H]1CC(=O)Nc2ccc(F)cc21 ZINC000091547067 527215189 /nfs/dbraw/zinc/21/51/89/527215189.db2.gz OZEXZDPOFMXPTP-CYBMUJFWSA-N 1 2 362.430 2.333 50 0 FEAALO Cc1nccc(-c2ccccc2)c1C(=O)N(CCO)Cc1[nH+]ccn1C ZINC000215118168 548667477 /nfs/dbraw/zinc/66/74/77/548667477.db2.gz GGFMMZCVJKZFLJ-UHFFFAOYSA-N 1 2 350.422 2.425 50 0 FEAALO COc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1OCC(=O)[O-] ZINC000215485468 548670584 /nfs/dbraw/zinc/67/05/84/548670584.db2.gz CFGOLARWSQXKLA-FQEVSTJZSA-N 1 2 362.470 2.466 50 0 FEAALO COc1ccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1OCC(=O)[O-] ZINC000215485468 548670590 /nfs/dbraw/zinc/67/05/90/548670590.db2.gz CFGOLARWSQXKLA-FQEVSTJZSA-N 1 2 362.470 2.466 50 0 FEAALO COc1ccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)cc1OCC(=O)[O-] ZINC000215485468 548670596 /nfs/dbraw/zinc/67/05/96/548670596.db2.gz CFGOLARWSQXKLA-FQEVSTJZSA-N 1 2 362.470 2.466 50 0 FEAALO COc1ccc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)cc1OCC(=O)[O-] ZINC000215485468 548670600 /nfs/dbraw/zinc/67/06/00/548670600.db2.gz CFGOLARWSQXKLA-FQEVSTJZSA-N 1 2 362.470 2.466 50 0 FEAALO CC[C@@H](C)Sc1ncc(CN2CCN(Cc3[nH+]ccn3C)CC2)cn1 ZINC000215373001 548671014 /nfs/dbraw/zinc/67/10/14/548671014.db2.gz SZIXOEVHWZWEMQ-OAHLLOKOSA-N 1 2 360.531 2.419 50 0 FEAALO CC[C@H](C)Sc1ncc(CN2CCN(Cc3[nH+]ccn3C)CC2)cn1 ZINC000215373043 548671046 /nfs/dbraw/zinc/67/10/46/548671046.db2.gz SZIXOEVHWZWEMQ-HNNXBMFYSA-N 1 2 360.531 2.419 50 0 FEAALO Fc1ccccc1-c1ccc(CN2CC[NH+](CCn3cncn3)CC2)o1 ZINC000215815313 548674349 /nfs/dbraw/zinc/67/43/49/548674349.db2.gz GQPADSSDFCZDRY-UHFFFAOYSA-N 1 2 355.417 2.495 50 0 FEAALO C[N@H+](CC(=O)N1CCOc2ccc(CO)cc2C1)Cc1ccccc1F ZINC000220526630 548701096 /nfs/dbraw/zinc/70/10/96/548701096.db2.gz IPLHEBNPKRDPSO-UHFFFAOYSA-N 1 2 358.413 2.171 50 0 FEAALO C[N@@H+](CC(=O)N1CCOc2ccc(CO)cc2C1)Cc1ccccc1F ZINC000220526630 548701101 /nfs/dbraw/zinc/70/11/01/548701101.db2.gz IPLHEBNPKRDPSO-UHFFFAOYSA-N 1 2 358.413 2.171 50 0 FEAALO COc1ccc2[nH]c(CCNC(=O)[C@@H]3CCCCN3C(=O)C3CC3)[nH+]c2c1 ZINC000221282825 548704095 /nfs/dbraw/zinc/70/40/95/548704095.db2.gz KTULGQISGDTNKO-KRWDZBQOSA-N 1 2 370.453 2.021 50 0 FEAALO O=C(Cn1cc[nH+]c1-c1ccccc1)NCc1ccccc1-n1cncn1 ZINC000221257717 548704399 /nfs/dbraw/zinc/70/43/99/548704399.db2.gz FZQJUTJWJCCNKR-UHFFFAOYSA-N 1 2 358.405 2.447 50 0 FEAALO CC[C@H](O)c1cc2n(n1)CCCN(C(=O)Cc1ccc3[nH]c(C)[nH+]c3c1)C2 ZINC000221333538 548705691 /nfs/dbraw/zinc/70/56/91/548705691.db2.gz LWDACSKZOOVRPD-IBGZPJMESA-N 1 2 367.453 2.486 50 0 FEAALO CC[C@H](O)c1cc2n(n1)CCCN(C(=O)Cc1ccc3[nH+]c(C)[nH]c3c1)C2 ZINC000221333538 548705695 /nfs/dbraw/zinc/70/56/95/548705695.db2.gz LWDACSKZOOVRPD-IBGZPJMESA-N 1 2 367.453 2.486 50 0 FEAALO O=C(N[C@H]1CC(=O)Nc2ccccc21)C1([NH+]2CCOCC2)CCCCC1 ZINC000222994532 548714402 /nfs/dbraw/zinc/71/44/02/548714402.db2.gz TVSAERDUFPDJSE-KRWDZBQOSA-N 1 2 357.454 2.221 50 0 FEAALO COc1nc(C)cc(C)c1CNC(=O)C[N@@H+]1CCOc2ccccc2C1 ZINC000223823463 548724483 /nfs/dbraw/zinc/72/44/83/548724483.db2.gz XPNFIWGECLJQEB-UHFFFAOYSA-N 1 2 355.438 2.218 50 0 FEAALO COc1nc(C)cc(C)c1CNC(=O)C[N@H+]1CCOc2ccccc2C1 ZINC000223823463 548724490 /nfs/dbraw/zinc/72/44/90/548724490.db2.gz XPNFIWGECLJQEB-UHFFFAOYSA-N 1 2 355.438 2.218 50 0 FEAALO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@@H](Oc2cnccn2)C1 ZINC000225468149 548735380 /nfs/dbraw/zinc/73/53/80/548735380.db2.gz ABYXNTPTTYMDSD-GOSISDBHSA-N 1 2 363.421 2.405 50 0 FEAALO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@H](Oc2cnccn2)C1 ZINC000225468110 548735493 /nfs/dbraw/zinc/73/54/93/548735493.db2.gz ABYXNTPTTYMDSD-SFHVURJKSA-N 1 2 363.421 2.405 50 0 FEAALO COc1cc2[nH]c(=S)n(CCC[NH+]3CCOCC3)c(=O)c2cc1OC ZINC000239254639 548883630 /nfs/dbraw/zinc/88/36/30/548883630.db2.gz 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O=C(C[NH+]1CCC(C(=O)N2CCCC2)CC1)Nc1cc(F)cc(F)c1 ZINC000024989046 539745992 /nfs/dbraw/zinc/74/59/92/539745992.db2.gz YYZWDWVIANTGLX-UHFFFAOYSA-N 1 2 351.397 2.238 50 0 FEAALO O=C(NC(=S)NC[C@H](c1cccs1)[NH+]1CCOCC1)c1ccco1 ZINC000025325910 539755816 /nfs/dbraw/zinc/75/58/16/539755816.db2.gz JPLYITDFPXDADO-GFCCVEGCSA-N 1 2 365.480 2.019 50 0 FEAALO CNc1nc(-n2cnc(SCCOc3ccc(C)cc3)n2)nc(NC)[nH+]1 ZINC000027739080 539815585 /nfs/dbraw/zinc/81/55/85/539815585.db2.gz VWURTJJNBYYJDH-UHFFFAOYSA-N 1 2 372.458 2.015 50 0 FEAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc2n[nH]nc2c1)c1cccc(F)c1 ZINC000032613477 539945489 /nfs/dbraw/zinc/94/54/89/539945489.db2.gz DHHXTNCTBACDTM-MRXNPFEDSA-N 1 2 350.357 2.350 50 0 FEAALO NC(=O)c1cc2c(nc1NC[C@H]1CCCN(c3cccc[nH+]3)C1)CCC2 ZINC000032561075 539943409 /nfs/dbraw/zinc/94/34/09/539943409.db2.gz BNULYCFUFCGTDT-CQSZACIVSA-N 1 2 351.454 2.393 50 0 FEAALO CC[C@H](C)NC(=O)C[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000032888410 539956830 /nfs/dbraw/zinc/95/68/30/539956830.db2.gz 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CCOC(=O)c1cnn2cc(C[N@@H+]3CCC[C@H](c4ccn[nH]4)C3)cnc12 ZINC000067871462 541523627 /nfs/dbraw/zinc/52/36/27/541523627.db2.gz ZWDAUCYTTFXPPT-AWEZNQCLSA-N 1 2 354.414 2.009 50 0 FEAALO CCOC(=O)c1cnn2cc(C[N@H+]3CCC[C@H](c4ccn[nH]4)C3)cnc12 ZINC000067871462 541523629 /nfs/dbraw/zinc/52/36/29/541523629.db2.gz ZWDAUCYTTFXPPT-AWEZNQCLSA-N 1 2 354.414 2.009 50 0 FEAALO COc1cccc(OCc2cc(C(=O)N(C)Cc3[nH+]ccn3C)n[nH]2)c1 ZINC000067879191 541523893 /nfs/dbraw/zinc/52/38/93/541523893.db2.gz LOMLJGRLLVPXCD-UHFFFAOYSA-N 1 2 355.398 2.003 50 0 FEAALO COC(=O)c1ccc(C(=O)OC)c(NC(=O)Cc2cn3ccccc3[nH+]2)c1 ZINC000068368591 541583845 /nfs/dbraw/zinc/58/38/45/541583845.db2.gz WMMYJFOPWUHQHK-UHFFFAOYSA-N 1 2 367.361 2.089 50 0 FEAALO CC(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071613870 541768836 /nfs/dbraw/zinc/76/88/36/541768836.db2.gz OXDVFEZVVFZFSV-GOSISDBHSA-N 1 2 372.444 2.308 50 0 FEAALO COc1ccc(C(C)(C)NC(=O)C[C@H]2C(=O)NCC[N@H+]2CC=C(C)C)cc1 ZINC000072124116 541784642 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C[C@@H](c1nc2ccccc2n1C(F)F)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000096941529 209164363 /nfs/dbraw/zinc/16/43/63/209164363.db2.gz ZCHGGFVUSLFHRP-ZDUSSCGKSA-N 1 2 365.428 2.198 50 0 FEAALO COc1cccc([C@@H](NC(=O)/C=C\c2cnn(C)c2)c2[nH+]ccn2C)c1 ZINC000096926048 209162834 /nfs/dbraw/zinc/16/28/34/209162834.db2.gz UHTLBFJGBDCFGZ-JTHGQSKGSA-N 1 2 351.410 2.081 50 0 FEAALO C[C@@H](Sc1nc2ccccc2c(=O)[nH]1)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000096131296 209116232 /nfs/dbraw/zinc/11/62/32/209116232.db2.gz GTRKCMLUGXTCNP-SNVBAGLBSA-N 1 2 355.423 2.124 50 0 FEAALO C[C@@H](Sc1nc2ccccc2c(=O)[nH]1)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000096131296 209116234 /nfs/dbraw/zinc/11/62/34/209116234.db2.gz GTRKCMLUGXTCNP-SNVBAGLBSA-N 1 2 355.423 2.124 50 0 FEAALO O=C(c1ccc2c(c1)OCCO2)C1CC[NH+](CN2C(=O)[C@@H]3CCC[C@@H]32)CC1 ZINC000075148713 542155555 /nfs/dbraw/zinc/15/55/55/542155555.db2.gz GTIPSEZLQNBSLM-SJORKVTESA-N 1 2 370.449 2.321 50 0 FEAALO O=C(NC[C@@H](O)c1cccc(O)c1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000299755684 206633188 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COC(=O)c1ccccc1NC(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000020736903 522276104 /nfs/dbraw/zinc/27/61/04/522276104.db2.gz YDCAOHFUUYYODK-UHFFFAOYSA-N 1 2 368.437 2.260 50 0 FEAALO Cc1cc(N2CCC(c3nnc(Cn4cccn4)n3C3CC3)CC2)nc[nH+]1 ZINC000091468668 525060415 /nfs/dbraw/zinc/06/04/15/525060415.db2.gz OFPPSURUYIPPJO-UHFFFAOYSA-N 1 2 364.457 2.340 50 0 FEAALO Cc1cc(N2CC[NH+](C[C@H]3CCCO3)CC2)nc(-c2ccccc2O)n1 ZINC000091664484 525080197 /nfs/dbraw/zinc/08/01/97/525080197.db2.gz FKJHOOUIIHOQFO-MRXNPFEDSA-N 1 2 354.454 2.459 50 0 FEAALO Cc1ccc(-c2ncc(C(=O)N(C)CCCc3[nH+]ccn3C)c(=O)[nH]2)cc1 ZINC000091390661 525827541 /nfs/dbraw/zinc/82/75/41/525827541.db2.gz VPTOBELOESDZAV-UHFFFAOYSA-N 1 2 365.437 2.184 50 0 FEAALO O=C(CCCn1cc[nH+]c1)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1)C2 ZINC000091707992 526472074 /nfs/dbraw/zinc/47/20/74/526472074.db2.gz BGOGGNZCSOOOJB-PKOBYXMFSA-N 1 2 366.465 2.427 50 0 FEAALO O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CCN(c2ccccc2)CC1 ZINC000020106798 526754949 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FEAALO CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3c(ncn(CC)c3=O)C2)cc1 ZINC000170619494 546167108 /nfs/dbraw/zinc/16/71/08/546167108.db2.gz DYDVBIUJSYUFRA-CQSZACIVSA-N 1 2 354.454 2.211 50 0 FEAALO CC1CCN(C(=O)COc2ccccc2C[N@@H+]2CCN(C)[C@H](C)C2)CC1 ZINC000215033261 548667849 /nfs/dbraw/zinc/66/78/49/548667849.db2.gz XAYCMRRSNOURBX-GOSISDBHSA-N 1 2 359.514 2.460 50 0 FEAALO CC1CCN(C(=O)COc2ccccc2C[N@H+]2CCN(C)[C@H](C)C2)CC1 ZINC000215033261 548667855 /nfs/dbraw/zinc/66/78/55/548667855.db2.gz XAYCMRRSNOURBX-GOSISDBHSA-N 1 2 359.514 2.460 50 0 FEAALO Cn1nc(C[NH+]2CCC(O)(Cn3ccnc3)CC2)c2c1cccc2Cl ZINC000215002202 548668111 /nfs/dbraw/zinc/66/81/11/548668111.db2.gz GEHSUYKKDMWBOE-UHFFFAOYSA-N 1 2 359.861 2.450 50 0 FEAALO CN(C)C(=O)c1[nH]nc2c1C[N@H+](Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000215727930 548673043 /nfs/dbraw/zinc/67/30/43/548673043.db2.gz VCWACIRHTHNNCI-UHFFFAOYSA-N 1 2 350.426 2.060 50 0 FEAALO CN(C)C(=O)c1[nH]nc2c1C[N@@H+](Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000215727930 548673052 /nfs/dbraw/zinc/67/30/52/548673052.db2.gz VCWACIRHTHNNCI-UHFFFAOYSA-N 1 2 350.426 2.060 50 0 FEAALO Cc1cccnc1C[NH+]1CCN(C(=O)c2scc3c2OCCO3)CC1 ZINC000218983168 548691028 /nfs/dbraw/zinc/69/10/28/548691028.db2.gz ILROOIKPWMIOLK-UHFFFAOYSA-N 1 2 359.451 2.181 50 0 FEAALO Cc1cccn2c(CC(=O)N[C@H](c3ccccn3)[C@H]3C[C@H](O)C3)c[nH+]c12 ZINC000223507884 548721210 /nfs/dbraw/zinc/72/12/10/548721210.db2.gz FKKXXCMYWDJHKR-GMBSWORKSA-N 1 2 350.422 2.209 50 0 FEAALO COCc1ccccc1CNC(=O)C[N@@H+]1CCCC[C@H]1c1ccnn1C ZINC000225632002 548739157 /nfs/dbraw/zinc/73/91/57/548739157.db2.gz SOCYCLGOOUQHHT-IBGZPJMESA-N 1 2 356.470 2.410 50 0 FEAALO COCc1ccccc1CNC(=O)C[N@H+]1CCCC[C@H]1c1ccnn1C ZINC000225632002 548739161 /nfs/dbraw/zinc/73/91/61/548739161.db2.gz SOCYCLGOOUQHHT-IBGZPJMESA-N 1 2 356.470 2.410 50 0 FEAALO C[NH+](C)[C@H](CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)c1ccco1 ZINC000228073188 548753323 /nfs/dbraw/zinc/75/33/23/548753323.db2.gz DKLJTUXMEMPJHX-IYOUNJFTSA-N 1 2 368.499 2.197 50 0 FEAALO O=C(N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1)C1([NH+]2CCOCC2)CCCCC1 ZINC000252572057 549674904 /nfs/dbraw/zinc/67/49/04/549674904.db2.gz YWKBOXJECVNHJK-SCTDSRPQSA-N 1 2 373.497 2.045 50 0 FEAALO O=C(c1ccc2cc[nH]c2c1)N1CCC([N@H+]2CC(F)(F)C[C@H]2CO)CC1 ZINC000257195713 549716717 /nfs/dbraw/zinc/71/67/17/549716717.db2.gz WSLARJORGSISIT-INIZCTEOSA-N 1 2 363.408 2.474 50 0 FEAALO O=C(c1ccc2cc[nH]c2c1)N1CCC([N@@H+]2CC(F)(F)C[C@H]2CO)CC1 ZINC000257195713 549716721 /nfs/dbraw/zinc/71/67/21/549716721.db2.gz WSLARJORGSISIT-INIZCTEOSA-N 1 2 363.408 2.474 50 0 FEAALO Cn1ncc2c1nc(N1CCN(c3ccc(F)cc3Cl)CC1)[nH+]c2N ZINC000278196104 550759567 /nfs/dbraw/zinc/75/95/67/550759567.db2.gz DVZSXUGPIQAKGE-UHFFFAOYSA-N 1 2 361.812 2.065 50 0 FEAALO Cc1nc(SCC(=O)N2CCC[N@H+](Cc3cccc(F)c3)CC2)n[nH]1 ZINC000299761741 553611953 /nfs/dbraw/zinc/61/19/53/553611953.db2.gz NKNYRKBYWGQKIQ-UHFFFAOYSA-N 1 2 363.462 2.079 50 0 FEAALO Cc1nc(SCC(=O)N2CCC[N@@H+](Cc3cccc(F)c3)CC2)n[nH]1 ZINC000299761741 553611954 /nfs/dbraw/zinc/61/19/54/553611954.db2.gz NKNYRKBYWGQKIQ-UHFFFAOYSA-N 1 2 363.462 2.079 50 0 FEAALO Cc1nnc(SCC(=O)N2CCC[N@H+](Cc3cccc(F)c3)CC2)[nH]1 ZINC000299761741 553611957 /nfs/dbraw/zinc/61/19/57/553611957.db2.gz NKNYRKBYWGQKIQ-UHFFFAOYSA-N 1 2 363.462 2.079 50 0 FEAALO Cc1nnc(SCC(=O)N2CCC[N@@H+](Cc3cccc(F)c3)CC2)[nH]1 ZINC000299761741 553611959 /nfs/dbraw/zinc/61/19/59/553611959.db2.gz NKNYRKBYWGQKIQ-UHFFFAOYSA-N 1 2 363.462 2.079 50 0 FEAALO CN(C)c1[nH+]cc(CN2CCC(NC(=O)NC3CCCCC3)CC2)n1C ZINC000331917231 554346289 /nfs/dbraw/zinc/34/62/89/554346289.db2.gz SSZMCPSSJQQZQW-UHFFFAOYSA-N 1 2 362.522 2.082 50 0 FEAALO CCC(=O)NCc1cc2n(n1)CC[N@H+](Cc1ccc(C(F)(F)F)nc1)C2 ZINC000426509298 559736179 /nfs/dbraw/zinc/73/61/79/559736179.db2.gz FXDPKBWVPDWAPA-UHFFFAOYSA-N 1 2 367.375 2.339 50 0 FEAALO CCC(=O)NCc1cc2n(n1)CC[N@@H+](Cc1ccc(C(F)(F)F)nc1)C2 ZINC000426509298 559736180 /nfs/dbraw/zinc/73/61/80/559736180.db2.gz FXDPKBWVPDWAPA-UHFFFAOYSA-N 1 2 367.375 2.339 50 0 FEAALO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@@H](Oc2ncccn2)C1 ZINC000575612037 571165250 /nfs/dbraw/zinc/16/52/50/571165250.db2.gz IIKIVYHZELFWCU-GOSISDBHSA-N 1 2 363.421 2.405 50 0 FEAALO CC[NH+]1CCN(S(=O)(=O)c2c(C)cc(Br)cc2C)CC1 ZINC000230537857 571175569 /nfs/dbraw/zinc/17/55/69/571175569.db2.gz OAVCQKBVERHANY-UHFFFAOYSA-N 1 2 361.305 2.392 50 0 FEAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N[C@H]3CCOC3)csc2C1 ZINC000426387880 571218473 /nfs/dbraw/zinc/21/84/73/571218473.db2.gz NXIBPDFFUAIXBD-ZDUSSCGKSA-N 1 2 361.467 2.430 50 0 FEAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N[C@H]3CCOC3)csc2C1 ZINC000426387880 571218474 /nfs/dbraw/zinc/21/84/74/571218474.db2.gz NXIBPDFFUAIXBD-ZDUSSCGKSA-N 1 2 361.467 2.430 50 0 FEAALO C[C@H]([NH2+]Cc1cnccc1N(C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000185142320 672521095 /nfs/dbraw/zinc/52/10/95/672521095.db2.gz TWHJXUOUYJSMHQ-AWEZNQCLSA-N 1 2 362.499 2.249 50 0 FEAALO C[C@H](NCc1c[nH+]ccc1N(C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000185142320 672521098 /nfs/dbraw/zinc/52/10/98/672521098.db2.gz TWHJXUOUYJSMHQ-AWEZNQCLSA-N 1 2 362.499 2.249 50 0 FEAALO O=C(C[C@@H](C(=O)N1CCc2ccccc21)n1cc[nH+]c1)NC1CCCC1 ZINC000003046735 539360022 /nfs/dbraw/zinc/36/00/22/539360022.db2.gz DVWMRCJAHKORRI-SFHVURJKSA-N 1 2 352.438 2.462 50 0 FEAALO C[C@H](C(=O)NC1CC1)[N@H+](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000007607152 539461864 /nfs/dbraw/zinc/46/18/64/539461864.db2.gz XGDOCZMHBSLXIW-SNVBAGLBSA-N 1 2 359.348 2.123 50 0 FEAALO C[C@H](C(=O)NC1CC1)[N@@H+](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000007607152 539461867 /nfs/dbraw/zinc/46/18/67/539461867.db2.gz XGDOCZMHBSLXIW-SNVBAGLBSA-N 1 2 359.348 2.123 50 0 FEAALO COc1cccc([C@@H](NC(=O)c2cc(C(C)=O)c[nH]2)c2[nH+]ccn2C)c1 ZINC000008746619 539491382 /nfs/dbraw/zinc/49/13/82/539491382.db2.gz DXOLVHGVJJQHFG-QGZVFWFLSA-N 1 2 352.394 2.479 50 0 FEAALO O=C(NCCn1ncc2c1nc[nH+]c2N1CCCCC1)c1cccs1 ZINC000011666019 539532283 /nfs/dbraw/zinc/53/22/83/539532283.db2.gz NYQUCCYLERSYBM-UHFFFAOYSA-N 1 2 356.455 2.308 50 0 FEAALO CCn1cc[nH+]c1CN(C)C(=O)c1cn(Cc2ccccc2Cl)nn1 ZINC000011663700 539531504 /nfs/dbraw/zinc/53/15/04/539531504.db2.gz SXLQNSFZGKRSDG-UHFFFAOYSA-N 1 2 358.833 2.468 50 0 FEAALO CN(Cc1cccc2ccccc21)C(=O)Cn1nnnc1C[NH+]1CCCC1 ZINC000011813069 539535381 /nfs/dbraw/zinc/53/53/81/539535381.db2.gz UVYKCWJADRDGSA-UHFFFAOYSA-N 1 2 364.453 2.081 50 0 FEAALO CN(CCc1ccccn1)c1[nH+]cccc1CNC(=O)[C@H]1CCCCO1 ZINC000012430847 539559441 /nfs/dbraw/zinc/55/94/41/539559441.db2.gz RYYWVQRMPKVEPZ-GOSISDBHSA-N 1 2 354.454 2.341 50 0 FEAALO COC(=O)c1cccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000299791393 210034016 /nfs/dbraw/zinc/03/40/16/210034016.db2.gz FJWQLQAOVMUSHZ-KRWDZBQOSA-N 1 2 361.442 2.192 50 0 FEAALO C[N@H+](CCOc1ccc(Cl)cc1)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000012745667 539572203 /nfs/dbraw/zinc/57/22/03/539572203.db2.gz YHGXOHROBIPCFV-QGZVFWFLSA-N 1 2 351.834 2.329 50 0 FEAALO C[N@@H+](CCOc1ccc(Cl)cc1)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000012745667 539572206 /nfs/dbraw/zinc/57/22/06/539572206.db2.gz YHGXOHROBIPCFV-QGZVFWFLSA-N 1 2 351.834 2.329 50 0 FEAALO O=C(CNC(=O)c1ccccc1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000012768622 539572781 /nfs/dbraw/zinc/57/27/81/539572781.db2.gz HSXJLOWADXPOGU-UHFFFAOYSA-N 1 2 358.467 2.498 50 0 FEAALO Cc1ccc(C)c(-n2ncc3c2nc[nH+]c3N2CCC(C(N)=O)CC2)c1 ZINC000015880909 539625123 /nfs/dbraw/zinc/62/51/23/539625123.db2.gz LUIKXTDJMREPQP-UHFFFAOYSA-N 1 2 350.426 2.134 50 0 FEAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccccc1)[NH+]1CCC(C(N)=O)CC1)S2 ZINC000023156778 539707444 /nfs/dbraw/zinc/70/74/44/539707444.db2.gz PKQTZEPWHWIUAK-AWEZNQCLSA-N 1 2 371.466 2.092 50 0 FEAALO C[N@@H+]1CCN(C(=O)c2cc3c([nH]c2=O)CCCC3=O)[C@H](c2ccccc2)C1 ZINC000023010515 539704338 /nfs/dbraw/zinc/70/43/38/539704338.db2.gz HWFZZZPPQSFOOZ-SFHVURJKSA-N 1 2 365.433 2.023 50 0 FEAALO C[N@H+]1CCN(C(=O)c2cc3c([nH]c2=O)CCCC3=O)[C@H](c2ccccc2)C1 ZINC000023010515 539704341 /nfs/dbraw/zinc/70/43/41/539704341.db2.gz HWFZZZPPQSFOOZ-SFHVURJKSA-N 1 2 365.433 2.023 50 0 FEAALO O=C(Nc1ccc(SCC[NH+]2CCOCC2)nn1)c1cccc(F)c1 ZINC000023128290 539706462 /nfs/dbraw/zinc/70/64/62/539706462.db2.gz IWQCNUZTLLNNNX-UHFFFAOYSA-N 1 2 362.430 2.292 50 0 FEAALO CCCCn1nc(C(=O)NCCn2c(C)[nH+]c3ccccc32)ccc1=O ZINC000024382093 539730664 /nfs/dbraw/zinc/73/06/64/539730664.db2.gz GRUWBXRZGXOMNK-UHFFFAOYSA-N 1 2 353.426 2.132 50 0 FEAALO Cn1nc(CC(=O)Nc2cccc(Cn3cc[nH+]c3)c2)c2ccccc2c1=O ZINC000025172989 539750412 /nfs/dbraw/zinc/75/04/12/539750412.db2.gz MKNADASJHPPWPC-UHFFFAOYSA-N 1 2 373.416 2.360 50 0 FEAALO O=C(CN1CC[NH+](Cc2ccccc2F)CC1)Nc1ccc2c(c1)OCO2 ZINC000025412126 539758883 /nfs/dbraw/zinc/75/88/83/539758883.db2.gz CJYVLLWLYCSRRS-UHFFFAOYSA-N 1 2 371.412 2.311 50 0 FEAALO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCN(C[C@@H]2CCCO2)CC1 ZINC000025764472 539767833 /nfs/dbraw/zinc/76/78/33/539767833.db2.gz NIAPNSAWYBGWMH-OALUTQOASA-N 1 2 362.514 2.346 50 0 FEAALO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C)CC1 ZINC000026981110 539798932 /nfs/dbraw/zinc/79/89/32/539798932.db2.gz 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ZINC000036137045 539986986 /nfs/dbraw/zinc/98/69/86/539986986.db2.gz LEJDBWVABCDKMT-UHFFFAOYSA-N 1 2 353.669 2.039 50 0 FEAALO Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000035877338 539984489 /nfs/dbraw/zinc/98/44/89/539984489.db2.gz WVIUWUIMMGCYCO-UHFFFAOYSA-N 1 2 373.478 2.183 50 0 FEAALO CC[C@@H](C)[C@@H]1[NH2+]C2(CCN(C(=S)NC(C)C)CC2)N(CC2CC2)C1=O ZINC000036029834 539986095 /nfs/dbraw/zinc/98/60/95/539986095.db2.gz DXCRLKIMXCMRGQ-ZBFHGGJFSA-N 1 2 366.575 2.318 50 0 FEAALO CCOC[C@@H](O)C[N@H+](CC)Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000036160925 539988635 /nfs/dbraw/zinc/98/86/35/539988635.db2.gz MGPCHGKBTQLLGT-LBPRGKRZSA-N 1 2 365.499 2.083 50 0 FEAALO CCOC[C@@H](O)C[N@@H+](CC)Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000036160925 539988639 /nfs/dbraw/zinc/98/86/39/539988639.db2.gz MGPCHGKBTQLLGT-LBPRGKRZSA-N 1 2 365.499 2.083 50 0 FEAALO Cc1csc(=O)n1CCC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000036697755 539992988 /nfs/dbraw/zinc/99/29/88/539992988.db2.gz KYFVHNPQFBDCHR-INIZCTEOSA-N 1 2 374.441 2.387 50 0 FEAALO Cc1noc(C)c1C[NH+]1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1 ZINC000038679345 540000219 /nfs/dbraw/zinc/00/02/19/540000219.db2.gz MWQNZIRMPHCCDV-GQCTYLIASA-N 1 2 369.421 2.378 50 0 FEAALO CC(C)n1cnnc1SCC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000039983568 540003305 /nfs/dbraw/zinc/00/33/05/540003305.db2.gz BRDXMHJOOJQMKU-MRXNPFEDSA-N 1 2 359.499 2.466 50 0 FEAALO CC(C)n1cnnc1SCC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000039983568 540003307 /nfs/dbraw/zinc/00/33/07/540003307.db2.gz BRDXMHJOOJQMKU-MRXNPFEDSA-N 1 2 359.499 2.466 50 0 FEAALO CCN(CC)C(=O)C[NH+]1CCN(Cc2cc(Cl)ccc2OC)CC1 ZINC000040013693 540003822 /nfs/dbraw/zinc/00/38/22/540003822.db2.gz QBCUJGXZBORJJR-UHFFFAOYSA-N 1 2 353.894 2.335 50 0 FEAALO O=C(COC(c1ccccc1)c1ccccc1)NCC[NH+]1CCOCC1 ZINC000044999751 540146136 /nfs/dbraw/zinc/14/61/36/540146136.db2.gz CVAHDQNSQHBYLL-UHFFFAOYSA-N 1 2 354.450 2.241 50 0 FEAALO Cc1ccc(CN2C[C@@H](C(=O)N(Cc3[nH+]ccn3C)C3CC3)CC2=O)cc1 ZINC000055200305 540635400 /nfs/dbraw/zinc/63/54/00/540635400.db2.gz RLPYJUOZHIYSNG-KRWDZBQOSA-N 1 2 366.465 2.268 50 0 FEAALO O=C(COc1ccccc1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000058178960 540831438 /nfs/dbraw/zinc/83/14/38/540831438.db2.gz DIZYWRGQJISUPX-UHFFFAOYSA-N 1 2 370.449 2.093 50 0 FEAALO CCOc1nnc(C[NH+]2CCC(C(=O)Nc3ccc(C)cn3)CC2)s1 ZINC000058181797 540832204 /nfs/dbraw/zinc/83/22/04/540832204.db2.gz UAFYTLAXCWBZTI-UHFFFAOYSA-N 1 2 361.471 2.491 50 0 FEAALO O=S(=O)(NCC[N@@H+]1CCc2sccc2C1)c1ccc2c(c1)COC2 ZINC000069114718 541658837 /nfs/dbraw/zinc/65/88/37/541658837.db2.gz VXVUEXDHUKMEAS-UHFFFAOYSA-N 1 2 364.492 2.115 50 0 FEAALO O=S(=O)(NCC[N@H+]1CCc2sccc2C1)c1ccc2c(c1)COC2 ZINC000069114718 541658839 /nfs/dbraw/zinc/65/88/39/541658839.db2.gz VXVUEXDHUKMEAS-UHFFFAOYSA-N 1 2 364.492 2.115 50 0 FEAALO O=C(c1cccc(OCc2cccnc2)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000072297659 541797491 /nfs/dbraw/zinc/79/74/91/541797491.db2.gz GVFKAMUGPFDBIS-LJQANCHMSA-N 1 2 367.449 2.207 50 0 FEAALO Cc1ccsc1CN(C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000072309725 541799076 /nfs/dbraw/zinc/79/90/76/541799076.db2.gz KJIKGWNFZQLAQF-UHFFFAOYSA-N 1 2 363.487 2.249 50 0 FEAALO Cc1cc2c(cc1C[NH+]1CCC(C(=O)[O-])(n3cc[nH+]c3)CC1)OCCO2 ZINC000072447360 541815966 /nfs/dbraw/zinc/81/59/66/541815966.db2.gz OMCMBMABMMKFSN-UHFFFAOYSA-N 1 2 357.410 2.039 50 0 FEAALO Cc1nn(C)c2nc[nH+]c(NCCn3nc(-c4ccccc4)ccc3=O)c12 ZINC000072476887 541819760 /nfs/dbraw/zinc/81/97/60/541819760.db2.gz KBABCJAKBGHBOA-UHFFFAOYSA-N 1 2 361.409 2.008 50 0 FEAALO COc1cc2[nH]c3c(ncn(CCCn4cc[nH+]c4)c3=O)c2cc1OC ZINC000012661679 220017338 /nfs/dbraw/zinc/01/73/38/220017338.db2.gz QEYKTHZYLYGTRG-UHFFFAOYSA-N 1 2 353.382 2.182 50 0 FEAALO CC(C)(CNC(=O)c1cc(Br)ccc1F)[NH+]1CCOCC1 ZINC000012762031 220026351 /nfs/dbraw/zinc/02/63/51/220026351.db2.gz PEUIADJELOPQBB-UHFFFAOYSA-N 1 2 359.239 2.429 50 0 FEAALO O=C([C@H]1CCOC1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000058357726 212006744 /nfs/dbraw/zinc/00/67/44/212006744.db2.gz CJJXICAXBPAAPW-AWEZNQCLSA-N 1 2 358.360 2.266 50 0 FEAALO Cc1cc(=O)oc2c(C)c(OCC(=O)N3CCc4[nH]c[nH+]c4C3)ccc12 ZINC000013550672 220073697 /nfs/dbraw/zinc/07/36/97/220073697.db2.gz PEWLYKPNOHGYRK-UHFFFAOYSA-N 1 2 353.378 2.097 50 0 FEAALO Cc1cc(=O)oc2c(C)c(OCC(=O)N3CCc4[nH+]c[nH]c4C3)ccc12 ZINC000013550672 220073701 /nfs/dbraw/zinc/07/37/01/220073701.db2.gz PEWLYKPNOHGYRK-UHFFFAOYSA-N 1 2 353.378 2.097 50 0 FEAALO Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc1C ZINC000023732229 211394994 /nfs/dbraw/zinc/39/49/94/211394994.db2.gz RMVXQDMYRWGHLW-FQEVSTJZSA-N 1 2 374.506 2.343 50 0 FEAALO COc1cccc([C@@]2(C)NC(=O)N(C[N@@H+]3CCc4ccccc4C3)C2=O)c1 ZINC000023381324 211386797 /nfs/dbraw/zinc/38/67/97/211386797.db2.gz WSMUJOSIPZFBQO-OAQYLSRUSA-N 1 2 365.433 2.478 50 0 FEAALO COc1cccc([C@@]2(C)NC(=O)N(C[N@H+]3CCc4ccccc4C3)C2=O)c1 ZINC000023381324 211386801 /nfs/dbraw/zinc/38/68/01/211386801.db2.gz WSMUJOSIPZFBQO-OAQYLSRUSA-N 1 2 365.433 2.478 50 0 FEAALO CC(C)(CNC(=O)c1cccc(OC[C@@H]2CCCO2)c1)[NH+]1CCOCC1 ZINC000022618256 211357096 /nfs/dbraw/zinc/35/70/96/211357096.db2.gz SVNWVVPWJFBYTO-SFHVURJKSA-N 1 2 362.470 2.085 50 0 FEAALO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nncn2-c2ccccc2C)CC1 ZINC000021332532 211312855 /nfs/dbraw/zinc/31/28/55/211312855.db2.gz UFEWFGIKSCYIOT-OAHLLOKOSA-N 1 2 359.499 2.220 50 0 FEAALO O=C1c2ccccc2C(=O)N1CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000020045302 211265485 /nfs/dbraw/zinc/26/54/85/211265485.db2.gz UAHYKYUKWFEUEZ-UHFFFAOYSA-N 1 2 353.397 2.197 50 0 FEAALO CCN1CC[NH+](C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000019885656 211258867 /nfs/dbraw/zinc/25/88/67/211258867.db2.gz QOHAERYEFNYIPK-UHFFFAOYSA-N 1 2 371.934 2.131 50 0 FEAALO C[C@@H]1C[N@H+](C2(C(=O)NCc3ccncc3)Cc3ccccc3C2)C[C@H](C)O1 ZINC000019841081 211256497 /nfs/dbraw/zinc/25/64/97/211256497.db2.gz JMDBQJOPMOWLRC-CALCHBBNSA-N 1 2 365.477 2.345 50 0 FEAALO C[C@@H]1C[N@@H+](C2(C(=O)NCc3ccncc3)Cc3ccccc3C2)C[C@H](C)O1 ZINC000019841081 211256501 /nfs/dbraw/zinc/25/65/01/211256501.db2.gz JMDBQJOPMOWLRC-CALCHBBNSA-N 1 2 365.477 2.345 50 0 FEAALO COc1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3OC)CC2)cc1 ZINC000019556791 211232523 /nfs/dbraw/zinc/23/25/23/211232523.db2.gz CUOLWPAMEMOJGW-UHFFFAOYSA-N 1 2 370.449 2.427 50 0 FEAALO COc1cc(CN2CC[NH+](Cc3cccnc3)CC2)cc(OC)c1OC ZINC000019369884 211218657 /nfs/dbraw/zinc/21/86/57/211218657.db2.gz IFLFMLLTIBCALM-UHFFFAOYSA-N 1 2 357.454 2.425 50 0 FEAALO COc1cc(C[NH+]2CCN(Cc3cccnc3)CC2)cc(OC)c1OC ZINC000019369884 211218666 /nfs/dbraw/zinc/21/86/66/211218666.db2.gz IFLFMLLTIBCALM-UHFFFAOYSA-N 1 2 357.454 2.425 50 0 FEAALO O=C(NCC[NH+]1CCOCC1)c1cc2cc(Cl)cc(Cl)c2oc1=O ZINC000019292490 211213913 /nfs/dbraw/zinc/21/39/13/211213913.db2.gz USZJTVFPAYDWRR-UHFFFAOYSA-N 1 2 371.220 2.162 50 0 FEAALO Cc1cccc(C)c1OCC(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000015669923 211136497 /nfs/dbraw/zinc/13/64/97/211136497.db2.gz QSAMHVYYYNWQRK-UHFFFAOYSA-N 1 2 353.466 2.464 50 0 FEAALO COc1cc2c(cc1NC(=O)C(=O)N1CC[NH+](C)CC1)oc1ccccc12 ZINC000013629098 211044127 /nfs/dbraw/zinc/04/41/27/211044127.db2.gz MLBGGPXMGZHWLO-UHFFFAOYSA-N 1 2 367.405 2.307 50 0 FEAALO O=C(C[NH+]1CCCCCC1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000012889951 211003996 /nfs/dbraw/zinc/00/39/96/211003996.db2.gz XMESTSXEOBLBIE-KRWDZBQOSA-N 1 2 350.484 2.083 50 0 FEAALO Cn1c(C[NH+](C)C)nnc1C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000077285813 542362044 /nfs/dbraw/zinc/36/20/44/542362044.db2.gz GNYFTUPNYUEKEP-UHFFFAOYSA-N 1 2 366.469 2.378 50 0 FEAALO Cc1cc(C)n(CCCC(=O)N2CC[NH+](Cc3ncccc3C)CC2)n1 ZINC000077437302 542381591 /nfs/dbraw/zinc/38/15/91/542381591.db2.gz XPGHAUHOSKDALU-UHFFFAOYSA-N 1 2 355.486 2.328 50 0 FEAALO CC[NH+]1CCN([C@@H](c2cccc(F)c2)C2Sc3ncnn3C2=O)CC1 ZINC000022031230 220374780 /nfs/dbraw/zinc/37/47/80/220374780.db2.gz RUPVYMQJJNOVBW-AWEZNQCLSA-N 1 2 361.446 2.362 50 0 FEAALO CC[NH+]1CCN([C@H](c2ccc(F)cc2)C2Sc3ncnn3C2=O)CC1 ZINC000022031271 220373940 /nfs/dbraw/zinc/37/39/40/220373940.db2.gz GHROGGCQUFSVEG-CQSZACIVSA-N 1 2 361.446 2.362 50 0 FEAALO CCOc1ccc([C@H]2NC(=O)NC(C[NH+]3CCCCC3)=C2C(=O)OC)cc1 ZINC000067287144 221250984 /nfs/dbraw/zinc/25/09/84/221250984.db2.gz CBDPCCHMWZJUHU-GOSISDBHSA-N 1 2 373.453 2.352 50 0 FEAALO CCOc1ccc(CN2CCc3[nH+]c[nH]c3[C@H]2c2cnn(C)c2C)cn1 ZINC000067587911 221261039 /nfs/dbraw/zinc/26/10/39/221261039.db2.gz JTQMGVIYDVBTFS-LJQANCHMSA-N 1 2 352.442 2.393 50 0 FEAALO Cc1csc([C@H](C)N(C)C(=O)c2cc(C[NH+]3CCC(O)CC3)on2)n1 ZINC000067804016 221287697 /nfs/dbraw/zinc/28/76/97/221287697.db2.gz OXGHLNQPWAWIMO-LBPRGKRZSA-N 1 2 364.471 2.229 50 0 FEAALO Cc1nc(N2CC[N@@H+]3CCCC[C@@H]3C2)nc2cc(S(C)(=O)=O)ccc12 ZINC000067805148 221287960 /nfs/dbraw/zinc/28/79/60/221287960.db2.gz FPSQHFWDQYAHET-CQSZACIVSA-N 1 2 360.483 2.016 50 0 FEAALO Cc1nc(N2CC[N@H+]3CCCC[C@@H]3C2)nc2cc(S(C)(=O)=O)ccc12 ZINC000067805148 221287962 /nfs/dbraw/zinc/28/79/62/221287962.db2.gz FPSQHFWDQYAHET-CQSZACIVSA-N 1 2 360.483 2.016 50 0 FEAALO Cc1csc([C@@H](C)N(C)C(=O)c2cc(C[NH+]3CCC(O)CC3)on2)n1 ZINC000067804013 221287518 /nfs/dbraw/zinc/28/75/18/221287518.db2.gz OXGHLNQPWAWIMO-GFCCVEGCSA-N 1 2 364.471 2.229 50 0 FEAALO OC[C@@H](O)C[N@@H+]1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067934454 221306237 /nfs/dbraw/zinc/30/62/37/221306237.db2.gz MIQDOQATOUPYLT-AWEZNQCLSA-N 1 2 372.446 2.217 50 0 FEAALO OC[C@@H](O)C[N@H+]1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067934454 221306240 /nfs/dbraw/zinc/30/62/40/221306240.db2.gz MIQDOQATOUPYLT-AWEZNQCLSA-N 1 2 372.446 2.217 50 0 FEAALO CC(C)c1[nH]c2ccc(NC(=O)Cn3nnc4ccccc4c3=O)cc2[nH+]1 ZINC000079495711 542522178 /nfs/dbraw/zinc/52/21/78/542522178.db2.gz DYRLYKBOWYAHCJ-UHFFFAOYSA-N 1 2 362.393 2.430 50 0 FEAALO COc1cccc(N2C[C@H](NC(=O)c3ccc4[nH+]c(C)cn4c3)CC2=O)c1 ZINC000082106544 542684226 /nfs/dbraw/zinc/68/42/26/542684226.db2.gz ITOVEUJDQXXMFR-OAHLLOKOSA-N 1 2 364.405 2.187 50 0 FEAALO COc1cccc(CN2CC3(CC2=O)CCN(c2cc(N)nc[nH+]2)CC3)c1 ZINC000077406174 132184077 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Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1C[C@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000253535518 549690796 /nfs/dbraw/zinc/69/07/96/549690796.db2.gz YPRFLUUWLOKLDT-OKILXGFUSA-N 1 2 351.410 2.211 50 0 FEAALO Cc1ccn(CC(=O)N2CCC(n3c(C)c[nH+]c3[C@@H]3CCCO3)CC2)n1 ZINC000257189822 549714530 /nfs/dbraw/zinc/71/45/30/549714530.db2.gz KAPKYWDYDJPQCT-KRWDZBQOSA-N 1 2 357.458 2.412 50 0 FEAALO CCc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1S(C)(=O)=O ZINC000278020353 550739720 /nfs/dbraw/zinc/73/97/20/550739720.db2.gz SXULEJVXCLRVCV-KRWDZBQOSA-N 1 2 364.511 2.399 50 0 FEAALO CCc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1S(C)(=O)=O ZINC000278020353 550739722 /nfs/dbraw/zinc/73/97/22/550739722.db2.gz SXULEJVXCLRVCV-KRWDZBQOSA-N 1 2 364.511 2.399 50 0 FEAALO Cc1cc(C(F)(F)F)nn1CCNC(=O)C[NH+]1Cc2ccccc2C1 ZINC000299799276 553616188 /nfs/dbraw/zinc/61/61/88/553616188.db2.gz RWBSOBVLISINFK-UHFFFAOYSA-N 1 2 352.360 2.342 50 0 FEAALO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2n[nH]c3c2CCC3)c2ccc(Cl)cc2)C1 ZINC000329006238 553863051 /nfs/dbraw/zinc/86/30/51/553863051.db2.gz YZGZMRKUYYESTO-IRXDYDNUSA-N 1 2 374.872 2.354 50 0 FEAALO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2n[nH]c3c2CCC3)c2ccc(Cl)cc2)C1 ZINC000329006238 553863053 /nfs/dbraw/zinc/86/30/53/553863053.db2.gz YZGZMRKUYYESTO-IRXDYDNUSA-N 1 2 374.872 2.354 50 0 FEAALO CC[C@@H](C(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O)[N@@H+]1CCO[C@H](CC)C1 ZINC000332274564 554415290 /nfs/dbraw/zinc/41/52/90/554415290.db2.gz IBYDMPHMYBCMMO-QYZOEREBSA-N 1 2 373.497 2.140 50 0 FEAALO CC[C@@H](C(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O)[N@H+]1CCO[C@H](CC)C1 ZINC000332274564 554415291 /nfs/dbraw/zinc/41/52/91/554415291.db2.gz IBYDMPHMYBCMMO-QYZOEREBSA-N 1 2 373.497 2.140 50 0 FEAALO CC[C@@H](C(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O)[N@@H+]1CCO[C@H](CC)C1 ZINC000332274553 554415657 /nfs/dbraw/zinc/41/56/57/554415657.db2.gz IBYDMPHMYBCMMO-CEXWTWQISA-N 1 2 373.497 2.140 50 0 FEAALO CC[C@@H](C(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O)[N@H+]1CCO[C@H](CC)C1 ZINC000332274553 554415659 /nfs/dbraw/zinc/41/56/59/554415659.db2.gz IBYDMPHMYBCMMO-CEXWTWQISA-N 1 2 373.497 2.140 50 0 FEAALO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1Cc1cnn(C(C)(C)C)c1 ZINC000362375335 554967309 /nfs/dbraw/zinc/96/73/09/554967309.db2.gz DCDQXCZKHIZRFD-GOSISDBHSA-N 1 2 366.469 2.267 50 0 FEAALO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cnc(-c2ccccn2)s1 ZINC000367955090 556181596 /nfs/dbraw/zinc/18/15/96/556181596.db2.gz GCFBTYDMCFWSGA-UKRRQHHQSA-N 1 2 358.467 2.140 50 0 FEAALO Cc1cc(C(F)(F)F)nc(CNc2cc([C@@H]3CCOC3)[nH+]c(C)n2)n1 ZINC000426493215 559735759 /nfs/dbraw/zinc/73/57/59/559735759.db2.gz PPGAZNBNGLMGRY-LLVKDONJSA-N 1 2 353.348 3.018 50 0 FEAALO Cc1nc(CNC(=O)N2CCC[C@H](Cn3cc[nH+]c3)C2)nc2c1CCCC2 ZINC000426514932 559736582 /nfs/dbraw/zinc/73/65/82/559736582.db2.gz YJNWSYYNCQSUMY-MRXNPFEDSA-N 1 2 368.485 2.482 50 0 FEAALO Cc1ccc(SCCN(C)C(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000534665359 562539826 /nfs/dbraw/zinc/53/98/26/562539826.db2.gz AAOYJHPCIUQHEA-INIZCTEOSA-N 1 2 351.516 2.449 50 0 FEAALO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCCn1cc[nH+]c1 ZINC000048141541 570935492 /nfs/dbraw/zinc/93/54/92/570935492.db2.gz OVVDUUWZSUURJW-SNVBAGLBSA-N 1 2 355.225 2.125 50 0 FEAALO CC[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cc(OC)c(Cl)cc1OC ZINC000670472276 571050143 /nfs/dbraw/zinc/05/01/43/571050143.db2.gz VDKDRTUEQWONFH-LLVKDONJSA-N 1 2 373.862 2.311 50 0 FEAALO Cc1cc(C)c(CNC(=O)N2CCC([C@H](O)c3nccn3C)CC2)c[nH+]1 ZINC000584895297 571315194 /nfs/dbraw/zinc/31/51/94/571315194.db2.gz RNQHYGWVFAOEDG-KRWDZBQOSA-N 1 2 357.458 2.087 50 0 FEAALO Cc1nn2c(nc(C[NH+]3CCC(Oc4ccc(F)cc4)CC3)cc2=O)[nH]1 ZINC000670461410 571356790 /nfs/dbraw/zinc/35/67/90/571356790.db2.gz HMAHJGORWQRIJW-UHFFFAOYSA-N 1 2 357.389 2.321 50 0 FEAALO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(C)c(C)cc2OC(F)F)C1 ZINC000181566108 672428210 /nfs/dbraw/zinc/42/82/10/672428210.db2.gz NNKBAFUFZFVLEU-AWEZNQCLSA-N 1 2 362.442 2.418 50 0 FEAALO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(C)c(C)cc2OC(F)F)C1 ZINC000181566108 672428211 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COc1ccc([C@@H]2CC(=O)c3c(C)nc(N4CC[NH+](C)CC4)nc3C2)cc1 ZINC000010156553 539513655 /nfs/dbraw/zinc/51/36/55/539513655.db2.gz AMYGEVFZSQRVMY-INIZCTEOSA-N 1 2 366.465 2.458 50 0 FEAALO COC(=O)[C@@H]1CN(C(=O)C[N@H+](C)Cc2cccc(F)c2)c2ccccc2O1 ZINC000011202933 539526018 /nfs/dbraw/zinc/52/60/18/539526018.db2.gz ROHSJCXOWDCJRM-SFHVURJKSA-N 1 2 372.396 2.225 50 0 FEAALO COC(=O)[C@@H]1CN(C(=O)C[N@@H+](C)Cc2cccc(F)c2)c2ccccc2O1 ZINC000011202933 539526019 /nfs/dbraw/zinc/52/60/19/539526019.db2.gz ROHSJCXOWDCJRM-SFHVURJKSA-N 1 2 372.396 2.225 50 0 FEAALO Cc1oc(NC(=O)C[N@H+](C)CCOc2ccccc2)c2c1c(C)n[nH]c2=O ZINC000011290324 539526553 /nfs/dbraw/zinc/52/65/53/539526553.db2.gz MJNIXZNMDQCDJU-UHFFFAOYSA-N 1 2 370.409 2.082 50 0 FEAALO Cc1oc(NC(=O)C[N@@H+](C)CCOc2ccccc2)c2c1c(C)n[nH]c2=O ZINC000011290324 539526557 /nfs/dbraw/zinc/52/65/57/539526557.db2.gz MJNIXZNMDQCDJU-UHFFFAOYSA-N 1 2 370.409 2.082 50 0 FEAALO O=C(NC1CCN(C(=O)N2CCCC2)CC1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000299799726 210039263 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Cc1ccc2[nH]c(CCC(=O)NCCS(=O)(=O)C(C)C)[nH+]c2c1C ZINC000299787420 210029408 /nfs/dbraw/zinc/02/94/08/210029408.db2.gz LODAHOZEZQYZJD-UHFFFAOYSA-N 1 2 351.472 2.052 50 0 FEAALO Cn1cc[nH+]c1[C@H](NS(=O)(=O)N1CCCCCC1)c1ccccc1F ZINC000012541471 539564171 /nfs/dbraw/zinc/56/41/71/539564171.db2.gz OPRBKCKRHVYSEN-MRXNPFEDSA-N 1 2 366.462 2.359 50 0 FEAALO NS(=O)(=O)c1ccc2c(c1)CCN2Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000012559125 539565436 /nfs/dbraw/zinc/56/54/36/539565436.db2.gz ZWHMONWHBNFWEM-UHFFFAOYSA-N 1 2 362.842 2.198 50 0 FEAALO C[N@H+](CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)Cc1ccccc1Cl ZINC000012863912 539577094 /nfs/dbraw/zinc/57/70/94/539577094.db2.gz QWAHMWTVBDCOQS-KRWDZBQOSA-N 1 2 373.840 2.051 50 0 FEAALO C[N@@H+](CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)Cc1ccccc1Cl ZINC000012863912 539577096 /nfs/dbraw/zinc/57/70/96/539577096.db2.gz QWAHMWTVBDCOQS-KRWDZBQOSA-N 1 2 373.840 2.051 50 0 FEAALO COc1ccccc1N1C(=O)C[C@H]([NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000019337431 539654593 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COc1cccc(OC[C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3)CCO2)c1 ZINC000034670765 539977117 /nfs/dbraw/zinc/97/71/17/539977117.db2.gz WWZDXJLZQXXRPA-UWJYYQICSA-N 1 2 373.449 2.215 50 0 FEAALO CC[C@H](C)CN1C(=O)C[NH2+]C12CCN(C(=O)c1ccc(OC)cc1)CC2 ZINC000036026345 539984806 /nfs/dbraw/zinc/98/48/06/539984806.db2.gz HFKDKQPTUKAMRZ-HNNXBMFYSA-N 1 2 359.470 2.105 50 0 FEAALO CN(C)C(=O)C[N@@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000053140625 540513423 /nfs/dbraw/zinc/51/34/23/540513423.db2.gz PTPKXIUINIUSIR-UHFFFAOYSA-N 1 2 364.799 2.354 50 0 FEAALO CN(C)C(=O)C[N@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000053140625 540513425 /nfs/dbraw/zinc/51/34/25/540513425.db2.gz PTPKXIUINIUSIR-UHFFFAOYSA-N 1 2 364.799 2.354 50 0 FEAALO COc1cc(C(=O)N2CC[NH+](Cc3ccco3)CC2)cc(OC)c1OC ZINC000055008650 540621425 /nfs/dbraw/zinc/62/14/25/540621425.db2.gz ZPDILVCNXCBGIS-UHFFFAOYSA-N 1 2 360.410 2.263 50 0 FEAALO O=C(Nc1ccc(F)cc1)[C@@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000057784913 540815349 /nfs/dbraw/zinc/81/53/49/540815349.db2.gz ZBJLULOAFNPZPO-IRXDYDNUSA-N 1 2 362.426 2.282 50 0 FEAALO NC(=O)c1ccc(NC(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000058121676 540829072 /nfs/dbraw/zinc/82/90/72/540829072.db2.gz KHFLBENSPHAZRT-UHFFFAOYSA-N 1 2 372.856 2.200 50 0 FEAALO CN(C)c1cc(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)ccn1 ZINC000058202047 540833181 /nfs/dbraw/zinc/83/31/81/540833181.db2.gz JPPZUBJSSAMQDL-UHFFFAOYSA-N 1 2 374.242 2.488 50 0 FEAALO O=C(CCn1cc[nH+]c1)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000058201547 540833525 /nfs/dbraw/zinc/83/35/25/540833525.db2.gz JDTWWTZVOASLIV-ZDUSSCGKSA-N 1 2 361.833 2.199 50 0 FEAALO CCNC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000072151347 541790128 /nfs/dbraw/zinc/79/01/28/541790128.db2.gz XFZORNLQBRXFKK-LJQANCHMSA-N 1 2 367.449 2.306 50 0 FEAALO CCNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000072151347 541790131 /nfs/dbraw/zinc/79/01/31/541790131.db2.gz XFZORNLQBRXFKK-LJQANCHMSA-N 1 2 367.449 2.306 50 0 FEAALO COc1ccc(F)c(F)c1CN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000072167042 541794299 /nfs/dbraw/zinc/79/42/99/541794299.db2.gz QBGHVIAVRBVMBG-UHFFFAOYSA-N 1 2 367.440 2.104 50 0 FEAALO NC(=O)c1noc(C[N@@H+]2CCC[C@@H](CCc3ccc(F)cc3F)C2)n1 ZINC000072167595 541794335 /nfs/dbraw/zinc/79/43/35/541794335.db2.gz IZKDWXWAHKCNQZ-NSHDSACASA-N 1 2 350.369 2.292 50 0 FEAALO NC(=O)c1noc(C[N@H+]2CCC[C@@H](CCc3ccc(F)cc3F)C2)n1 ZINC000072167595 541794338 /nfs/dbraw/zinc/79/43/38/541794338.db2.gz IZKDWXWAHKCNQZ-NSHDSACASA-N 1 2 350.369 2.292 50 0 FEAALO COc1ccc(C(=O)N2CC[NH+](Cc3ccc4nonc4c3)CC2)cc1 ZINC000072172966 541795692 /nfs/dbraw/zinc/79/56/92/541795692.db2.gz KLOTYTWGOPRXEY-UHFFFAOYSA-N 1 2 352.394 2.189 50 0 FEAALO CCSCCN(C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O)C1CCCCC1 ZINC000063881602 212036084 /nfs/dbraw/zinc/03/60/84/212036084.db2.gz AJASCXWLJJMWEP-KRWDZBQOSA-N 1 2 366.531 2.371 50 0 FEAALO CCSCCN(C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C1CCCCC1 ZINC000063881602 212036086 /nfs/dbraw/zinc/03/60/86/212036086.db2.gz AJASCXWLJJMWEP-KRWDZBQOSA-N 1 2 366.531 2.371 50 0 FEAALO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000072268815 541796872 /nfs/dbraw/zinc/79/68/72/541796872.db2.gz WPVPUTVHCHLJRL-INIZCTEOSA-N 1 2 354.516 2.061 50 0 FEAALO Cc1[nH]ccc1C(=O)N1CCC[C@@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 ZINC000072412018 541807493 /nfs/dbraw/zinc/80/74/93/541807493.db2.gz DWDSFBPVBJTOIB-MRXNPFEDSA-N 1 2 370.501 2.457 50 0 FEAALO Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCCN(C(=O)c2cscn2)C1 ZINC000072423670 541810133 /nfs/dbraw/zinc/81/01/33/541810133.db2.gz OOSBDGNUHSOHMB-CQSZACIVSA-N 1 2 374.514 2.277 50 0 FEAALO CC(C)C[N@@H+]1CCN(Cc2ccc(Cl)c(F)c2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072423646 541810179 /nfs/dbraw/zinc/81/01/79/541810179.db2.gz GPPFIPIVVDRESP-SJORKVTESA-N 1 2 374.909 2.418 50 0 FEAALO CC(C)C[N@H+]1CCN(Cc2ccc(Cl)c(F)c2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072423646 541810182 /nfs/dbraw/zinc/81/01/82/541810182.db2.gz GPPFIPIVVDRESP-SJORKVTESA-N 1 2 374.909 2.418 50 0 FEAALO Cc1cc(C(=O)N2CCC[C@@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)no1 ZINC000072430716 541812554 /nfs/dbraw/zinc/81/25/54/541812554.db2.gz RIWKMKKYLSQIBJ-OAHLLOKOSA-N 1 2 372.473 2.117 50 0 FEAALO COc1ccc(OCCNC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000072437521 541814238 /nfs/dbraw/zinc/81/42/38/541814238.db2.gz IPTRAXWDUHRMLD-UHFFFAOYSA-N 1 2 370.449 2.336 50 0 FEAALO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccccn2)C[C@@H]1CCO ZINC000072462832 541817018 /nfs/dbraw/zinc/81/70/18/541817018.db2.gz IQDMLZMXSSQENA-SFHVURJKSA-N 1 2 369.465 2.189 50 0 FEAALO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccccn2)C[C@@H]1CCO ZINC000072462832 541817020 /nfs/dbraw/zinc/81/70/20/541817020.db2.gz IQDMLZMXSSQENA-SFHVURJKSA-N 1 2 369.465 2.189 50 0 FEAALO O=C(CN1CC[NH+](Cc2ccccc2Oc2cccnc2)CC1)NC1CC1 ZINC000058343476 212006725 /nfs/dbraw/zinc/00/67/25/212006725.db2.gz AYBWARKRWSYQHX-UHFFFAOYSA-N 1 2 366.465 2.270 50 0 FEAALO NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CC=C(c3ccccc3)CC2)cc1 ZINC000013063370 220055957 /nfs/dbraw/zinc/05/59/57/220055957.db2.gz UWFXTOFSORFDDH-UHFFFAOYSA-N 1 2 371.462 2.062 50 0 FEAALO NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CC=C(c3ccccc3)CC2)cc1 ZINC000013063370 220055960 /nfs/dbraw/zinc/05/59/60/220055960.db2.gz UWFXTOFSORFDDH-UHFFFAOYSA-N 1 2 371.462 2.062 50 0 FEAALO CNC(=O)NC(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000015521167 220155227 /nfs/dbraw/zinc/15/52/27/220155227.db2.gz MMOGHURVSXAQAJ-QGZVFWFLSA-N 1 2 355.394 2.044 50 0 FEAALO CNC(=O)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000015521167 220155230 /nfs/dbraw/zinc/15/52/30/220155230.db2.gz MMOGHURVSXAQAJ-QGZVFWFLSA-N 1 2 355.394 2.044 50 0 FEAALO CCCCc1cc(=O)[nH]c(-c2cccc(C[N@H+]3CCO[C@@H](CCO)C3)c2)n1 ZINC000023159012 211377781 /nfs/dbraw/zinc/37/77/81/211377781.db2.gz OVERUSUZQXQTJB-IBGZPJMESA-N 1 2 371.481 2.363 50 0 FEAALO CCCCc1cc(=O)[nH]c(-c2cccc(C[N@@H+]3CCO[C@@H](CCO)C3)c2)n1 ZINC000023159012 211377776 /nfs/dbraw/zinc/37/77/76/211377776.db2.gz OVERUSUZQXQTJB-IBGZPJMESA-N 1 2 371.481 2.363 50 0 FEAALO COc1ccc(C[NH+]2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000024014299 211399875 /nfs/dbraw/zinc/39/98/75/211399875.db2.gz YXVUGXMWJLMPTD-UHFFFAOYSA-N 1 2 354.406 2.382 50 0 FEAALO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cnc(N)nc3)C2)c(OC)c1 ZINC000012090004 211395428 /nfs/dbraw/zinc/39/54/28/211395428.db2.gz UROATBBAKXGQOT-AWEZNQCLSA-N 1 2 356.426 2.171 50 0 FEAALO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cnc(N)nc3)C2)c(OC)c1 ZINC000012090004 211395433 /nfs/dbraw/zinc/39/54/33/211395433.db2.gz UROATBBAKXGQOT-AWEZNQCLSA-N 1 2 356.426 2.171 50 0 FEAALO O=S(=O)(c1ccccc1)N1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000023717995 211395078 /nfs/dbraw/zinc/39/50/78/211395078.db2.gz QATQXDGKVIMQCM-UHFFFAOYSA-N 1 2 364.442 2.211 50 0 FEAALO C[NH+]1CCN(S(=O)(=O)c2ccc(NCC3CCCCC3)nc2)CC1 ZINC000023652576 211393687 /nfs/dbraw/zinc/39/36/87/211393687.db2.gz HYHICIVAMXCQGA-UHFFFAOYSA-N 1 2 352.504 2.010 50 0 FEAALO COc1cccc(C[NH+]2CCN(CC(=O)Nc3ccc(Cl)cn3)CC2)c1 ZINC000023095788 211375196 /nfs/dbraw/zinc/37/51/96/211375196.db2.gz VGFFRCHHBQKLGZ-UHFFFAOYSA-N 1 2 374.872 2.500 50 0 FEAALO COc1ccc(OC)c(C[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)c1 ZINC000022929514 211369649 /nfs/dbraw/zinc/36/96/49/211369649.db2.gz RXXVBCFPALIPSQ-UHFFFAOYSA-N 1 2 369.465 2.460 50 0 FEAALO COc1ccc(C[NH+]2CCN(C(=O)Nc3cc(C)on3)CC2)cc1OC ZINC000022385718 211348491 /nfs/dbraw/zinc/34/84/91/211348491.db2.gz CWDVPOFWJQYOHY-UHFFFAOYSA-N 1 2 360.414 2.350 50 0 FEAALO CN(c1[nH+]cccc1CNC(=O)[C@H]1CCCN(C(N)=O)C1)C1CCCCC1 ZINC000019113095 211202511 /nfs/dbraw/zinc/20/25/11/211202511.db2.gz QCTKRKNTDDNSQC-INIZCTEOSA-N 1 2 373.501 2.257 50 0 FEAALO COc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)N2CCCCCC2)cc1C ZINC000014979422 211109959 /nfs/dbraw/zinc/10/99/59/211109959.db2.gz WJZMFOYWPKDNRR-SFHVURJKSA-N 1 2 373.497 2.097 50 0 FEAALO COc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)N2CCCCCC2)cc1C ZINC000014979422 211109965 /nfs/dbraw/zinc/10/99/65/211109965.db2.gz WJZMFOYWPKDNRR-SFHVURJKSA-N 1 2 373.497 2.097 50 0 FEAALO O=C(CSc1nncs1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000014229779 211087714 /nfs/dbraw/zinc/08/77/14/211087714.db2.gz PJKLOXOKQPKLRN-QPJJXVBHSA-N 1 2 360.508 2.488 50 0 FEAALO C[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000014006869 211067793 /nfs/dbraw/zinc/06/77/93/211067793.db2.gz BDWAZLOSMVUGAR-MRXNPFEDSA-N 1 2 367.449 2.480 50 0 FEAALO Cc1cc(NC[C@@H](c2ccc(F)cc2)[NH+]2CCOCC2)n2ncnc2n1 ZINC000012972670 211012257 /nfs/dbraw/zinc/01/22/57/211012257.db2.gz GTBMZJYNRXEVSK-INIZCTEOSA-N 1 2 356.405 2.057 50 0 FEAALO C[C@H](NC(=O)c1ccccc1-n1cnnn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007990232 210763642 /nfs/dbraw/zinc/76/36/42/210763642.db2.gz VUMNJMBKOQDSPT-AWEZNQCLSA-N 1 2 359.393 2.339 50 0 FEAALO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C[NH+]1CCSCC1 ZINC000002286923 210388749 /nfs/dbraw/zinc/38/87/49/210388749.db2.gz SZNOCEHDSQVQDI-UHFFFAOYSA-N 1 2 365.430 2.471 50 0 FEAALO C[C@H](O)CNc1[nH+]c2ccccc2n1CC(=O)N1CCc2sccc2C1 ZINC000022020243 220373916 /nfs/dbraw/zinc/37/39/16/220373916.db2.gz CLRPYGNKUXXEPW-ZDUSSCGKSA-N 1 2 370.478 2.475 50 0 FEAALO CC[NH+]1CCN([C@@H](c2ccc(F)cc2)C2Sc3ncnn3C2=O)CC1 ZINC000022031267 220374103 /nfs/dbraw/zinc/37/41/03/220374103.db2.gz GHROGGCQUFSVEG-AWEZNQCLSA-N 1 2 361.446 2.362 50 0 FEAALO C[C@H](NC(=O)N1CCC(n2cc(C[NH+](C)C)nn2)CC1)c1ccccc1 ZINC000055243660 221062562 /nfs/dbraw/zinc/06/25/62/221062562.db2.gz ISKIRGPMUIVNKC-HNNXBMFYSA-N 1 2 356.474 2.447 50 0 FEAALO Cc1nc(C2([NH2+]CC(=O)NC(=O)Nc3ccccc3)CCCCC2)no1 ZINC000058214190 221108075 /nfs/dbraw/zinc/10/80/75/221108075.db2.gz USTGPSWXCWKTPN-UHFFFAOYSA-N 1 2 357.414 2.475 50 0 FEAALO COc1ccc(CNC(=O)Cn2c[nH+]c3cc4c(cc32)OCCO4)cc1 ZINC000064794745 221152751 /nfs/dbraw/zinc/15/27/51/221152751.db2.gz BBAPWJGIMBEDAN-UHFFFAOYSA-N 1 2 353.378 2.133 50 0 FEAALO CCCc1cnc(C)nc1N1CC[NH+](Cc2cnn3cccnc23)CC1 ZINC000065403277 221212066 /nfs/dbraw/zinc/21/20/66/221212066.db2.gz GBGDFNIMHKUVPD-UHFFFAOYSA-N 1 2 351.458 2.102 50 0 FEAALO Cc1ccnc(-n2cccc2C[NH+]2CCN(c3ncc(F)cn3)CC2)c1 ZINC000065398077 221212335 /nfs/dbraw/zinc/21/23/35/221212335.db2.gz DZHKYQJCHBYZAQ-UHFFFAOYSA-N 1 2 352.417 2.432 50 0 FEAALO Cc1ccsc1[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2cccnc2)C[C@H]1O ZINC000065430417 221218947 /nfs/dbraw/zinc/21/89/47/221218947.db2.gz XLUADQVVQJRQLZ-IAGOWNOFSA-N 1 2 359.495 2.260 50 0 FEAALO Cc1ccsc1[C@@H]1CCN(C(=O)C[N@H+](C)Cc2cccnc2)C[C@H]1O ZINC000065430417 221218949 /nfs/dbraw/zinc/21/89/49/221218949.db2.gz XLUADQVVQJRQLZ-IAGOWNOFSA-N 1 2 359.495 2.260 50 0 FEAALO Nc1nc2c(s1)[C@@H](c1ccc(OCCn3cc[nH+]c3)cc1)CC(=O)NC2 ZINC000065462622 221223174 /nfs/dbraw/zinc/22/31/74/221223174.db2.gz BSXOCBGMWOIIIL-CQSZACIVSA-N 1 2 369.450 2.153 50 0 FEAALO COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)Nc2cnn(C)c2)cc1 ZINC000065496847 221227569 /nfs/dbraw/zinc/22/75/69/221227569.db2.gz FQLQBPIGGZWFOY-QGZVFWFLSA-N 1 2 356.426 2.200 50 0 FEAALO COC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)Nc2cnn(C)c2)cc1 ZINC000065496847 221227571 /nfs/dbraw/zinc/22/75/71/221227571.db2.gz FQLQBPIGGZWFOY-QGZVFWFLSA-N 1 2 356.426 2.200 50 0 FEAALO CCOc1ccccc1[C@@H]1NC(=O)N=C(C[NH+]2CCCCC2)C1C(=O)OC ZINC000067287853 221251154 /nfs/dbraw/zinc/25/11/54/221251154.db2.gz LLUYJQOAPQFMMX-SFHVURJKSA-N 1 2 373.453 2.352 50 0 FEAALO CCCCc1nc(Cl)c(C[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)[nH]1 ZINC000067434394 221253799 /nfs/dbraw/zinc/25/37/99/221253799.db2.gz GXOCLZYAJBWCGV-KRWDZBQOSA-N 1 2 367.881 2.216 50 0 FEAALO CC(C)N1C[C@H](NC(=O)c2cc(C[N@H+](C)Cc3ccccc3)on2)CC1=O ZINC000067804795 221288624 /nfs/dbraw/zinc/28/86/24/221288624.db2.gz GEGSHYQWVANECF-MRXNPFEDSA-N 1 2 370.453 2.046 50 0 FEAALO CC(C)N1C[C@H](NC(=O)c2cc(C[N@@H+](C)Cc3ccccc3)on2)CC1=O ZINC000067804795 221288626 /nfs/dbraw/zinc/28/86/26/221288626.db2.gz GEGSHYQWVANECF-MRXNPFEDSA-N 1 2 370.453 2.046 50 0 FEAALO COc1cccc2c1OC[C@H](C(=O)NCc1cccnc1-n1cc[nH+]c1)C2 ZINC000067879635 221299443 /nfs/dbraw/zinc/29/94/43/221299443.db2.gz PPWZGBIQFHOCIV-MRXNPFEDSA-N 1 2 364.405 2.143 50 0 FEAALO O=C(NC1(CO)CCCC1)c1cc(C[N@@H+]2CCc3ccccc3C2)on1 ZINC000067955308 221309507 /nfs/dbraw/zinc/30/95/07/221309507.db2.gz OYULJXVENQZEBU-UHFFFAOYSA-N 1 2 355.438 2.268 50 0 FEAALO O=C(NC1(CO)CCCC1)c1cc(C[N@H+]2CCc3ccccc3C2)on1 ZINC000067955308 221309510 /nfs/dbraw/zinc/30/95/10/221309510.db2.gz OYULJXVENQZEBU-UHFFFAOYSA-N 1 2 355.438 2.268 50 0 FEAALO O=C(C[N@@H+]1CCC[C@@H]1c1cccc2ccccc21)N[C@@H]1CCS(=O)(=O)C1 ZINC000069925661 221328799 /nfs/dbraw/zinc/32/87/99/221328799.db2.gz BDYWUEBJOJSPSO-VQIMIIECSA-N 1 2 372.490 2.280 50 0 FEAALO O=C(C[N@H+]1CCC[C@@H]1c1cccc2ccccc21)N[C@@H]1CCS(=O)(=O)C1 ZINC000069925661 221328800 /nfs/dbraw/zinc/32/88/00/221328800.db2.gz BDYWUEBJOJSPSO-VQIMIIECSA-N 1 2 372.490 2.280 50 0 FEAALO C[NH+](C)Cc1nnc(C2CCN(C(=O)c3cscn3)CC2)n1C1CC1 ZINC000082087168 542683248 /nfs/dbraw/zinc/68/32/48/542683248.db2.gz SVWPCKAXBXCFHF-UHFFFAOYSA-N 1 2 360.487 2.151 50 0 FEAALO CC(C)Nc1cc(N2CCC3(CC2)Nc2ccccc2NC3=O)nc(N)[nH+]1 ZINC000082106799 132194886 /nfs/dbraw/zinc/19/48/86/132194886.db2.gz VOUUOIFFIQWUAP-UHFFFAOYSA-N 1 2 367.457 2.282 50 0 FEAALO CC(C)Nc1cc(N2CCC3(CC2)Nc2ccccc2NC3=O)[nH+]c(N)n1 ZINC000082106799 132194888 /nfs/dbraw/zinc/19/48/88/132194888.db2.gz VOUUOIFFIQWUAP-UHFFFAOYSA-N 1 2 367.457 2.282 50 0 FEAALO CCCc1cncnc1N1CCC[C@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000095381987 132209860 /nfs/dbraw/zinc/20/98/60/132209860.db2.gz AIGYAXGNSKKVKT-INIZCTEOSA-N 1 2 366.473 2.186 50 0 FEAALO COc1ccc(/C=C\C(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1 ZINC000097015851 132226908 /nfs/dbraw/zinc/22/69/08/132226908.db2.gz GHJNAJZTTLPFMG-TWGQIWQCSA-N 1 2 353.422 2.256 50 0 FEAALO c1ccc(CNc2ncc(C[NH+]3CCN(c4cnccn4)CC3)cn2)cc1 ZINC000215113388 132269618 /nfs/dbraw/zinc/26/96/18/132269618.db2.gz HZLMZXQIRRHEKR-UHFFFAOYSA-N 1 2 361.453 2.201 50 0 FEAALO CCC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000000816488 132378819 /nfs/dbraw/zinc/37/88/19/132378819.db2.gz RWNLJHDVRNBWFB-SFHVURJKSA-N 1 2 369.465 2.236 50 0 FEAALO O=C(c1ccco1)N1CCN(c2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000001508032 132382172 /nfs/dbraw/zinc/38/21/72/132382172.db2.gz CHLORPGMEWBIMT-UHFFFAOYSA-N 1 2 374.404 2.371 50 0 FEAALO CSc1nc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)cs1 ZINC000011878343 132851610 /nfs/dbraw/zinc/85/16/10/132851610.db2.gz CMEHRTJLQYTGPY-UHFFFAOYSA-N 1 2 350.469 2.027 50 0 FEAALO COC(=O)C[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000091461875 542809508 /nfs/dbraw/zinc/80/95/08/542809508.db2.gz FHGFOFLSGKGFKQ-SFHVURJKSA-N 1 2 356.466 2.420 50 0 FEAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000091695511 542820686 /nfs/dbraw/zinc/82/06/86/542820686.db2.gz HRHOGQBZADUQGH-HNNXBMFYSA-N 1 2 361.467 2.326 50 0 FEAALO COc1ccc2ncc(C(=O)N3CCC(c4[nH+]ccn4C)CC3)c(O)c2c1 ZINC000091746102 542823678 /nfs/dbraw/zinc/82/36/78/542823678.db2.gz XEAOSXBZUJZYRM-UHFFFAOYSA-N 1 2 366.421 2.290 50 0 FEAALO C[C@@H]1CN(C(=O)C[N@@H+]2CCOc3ccccc3C2)CC[C@@]1(O)C1CCC1 ZINC000091650732 542818084 /nfs/dbraw/zinc/81/80/84/542818084.db2.gz GEZCARYNRNYUSA-IERDGZPVSA-N 1 2 358.482 2.281 50 0 FEAALO C[C@@H]1CN(C(=O)C[N@H+]2CCOc3ccccc3C2)CC[C@@]1(O)C1CCC1 ZINC000091650732 542818086 /nfs/dbraw/zinc/81/80/86/542818086.db2.gz GEZCARYNRNYUSA-IERDGZPVSA-N 1 2 358.482 2.281 50 0 FEAALO O=C(c1ccc[nH]c1=O)N1CCC(c2[nH+]ccn2Cc2cscn2)CC1 ZINC000091780185 542825329 /nfs/dbraw/zinc/82/53/29/542825329.db2.gz BKKYICJDBHMFJS-UHFFFAOYSA-N 1 2 369.450 2.096 50 0 FEAALO Cc1cc(N2CC[C@]3(C2)CCCN(CCO)C3=O)[nH+]c2cc(F)ccc12 ZINC000091871976 542830560 /nfs/dbraw/zinc/83/05/60/542830560.db2.gz NQKVHWBWYFSZRI-FQEVSTJZSA-N 1 2 357.429 2.494 50 0 FEAALO COc1ccccc1N1CC[NH+](CCNC(=O)NCc2cccs2)CC1 ZINC000038598702 136118916 /nfs/dbraw/zinc/11/89/16/136118916.db2.gz BGPCCTGRQNMFKT-UHFFFAOYSA-N 1 2 374.510 2.378 50 0 FEAALO NC(=O)c1ccccc1NC(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000055562770 136127254 /nfs/dbraw/zinc/12/72/54/136127254.db2.gz JXILOQXDCMMVQV-UHFFFAOYSA-N 1 2 372.856 2.200 50 0 FEAALO Cc1ccc(C)c(S(=O)(=O)NCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000056997492 136128147 /nfs/dbraw/zinc/12/81/47/136128147.db2.gz BNHXHOGINGCQOM-UHFFFAOYSA-N 1 2 373.522 2.404 50 0 FEAALO COC(=O)COc1ccc(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000058245706 136131333 /nfs/dbraw/zinc/13/13/33/136131333.db2.gz NOZXTICFNFAALC-HNNXBMFYSA-N 1 2 369.421 2.489 50 0 FEAALO O=C(c1cnc(Nc2ccccc2)nc1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000095371297 542962604 /nfs/dbraw/zinc/96/26/04/542962604.db2.gz XPPZBGINHZFSAV-GOSISDBHSA-N 1 2 367.453 2.157 50 0 FEAALO CN(C)c1cc(N2CCC[C@@H](NC(=O)CCc3ccccc3)C2)nc[nH+]1 ZINC000065269155 136135814 /nfs/dbraw/zinc/13/58/14/136135814.db2.gz KLRWLOSCNCLTQN-QGZVFWFLSA-N 1 2 353.470 2.260 50 0 FEAALO CN(C)c1cc(N2CCC[C@@H](NC(=O)CCc3ccccc3)C2)[nH+]cn1 ZINC000065269155 136135815 /nfs/dbraw/zinc/13/58/15/136135815.db2.gz KLRWLOSCNCLTQN-QGZVFWFLSA-N 1 2 353.470 2.260 50 0 FEAALO CN(Cc1[nH]cc[nH+]1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2)c1 ZINC000095352651 542957724 /nfs/dbraw/zinc/95/77/24/542957724.db2.gz CIMZGIHXFICREX-UHFFFAOYSA-N 1 2 370.434 2.483 50 0 FEAALO Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCCN(C(=O)c2cccc(F)c2)C1 ZINC000095354605 542958177 /nfs/dbraw/zinc/95/81/77/542958177.db2.gz YQBVSWOXSKVVNS-OAHLLOKOSA-N 1 2 368.416 2.219 50 0 FEAALO Cn1ccc2ccc(C(=O)N3CC[N@H+](Cc4ccoc4)[C@@H](CCO)C3)cc21 ZINC000095383764 542965778 /nfs/dbraw/zinc/96/57/78/542965778.db2.gz DLJNFVBOPWQKFJ-IBGZPJMESA-N 1 2 367.449 2.480 50 0 FEAALO Cn1ccc2ccc(C(=O)N3CC[N@@H+](Cc4ccoc4)[C@@H](CCO)C3)cc21 ZINC000095383764 542965780 /nfs/dbraw/zinc/96/57/80/542965780.db2.gz DLJNFVBOPWQKFJ-IBGZPJMESA-N 1 2 367.449 2.480 50 0 FEAALO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2c(O)cc(F)cc2F)C[C@H](C)O1 ZINC000095390027 542967885 /nfs/dbraw/zinc/96/78/85/542967885.db2.gz ZZENENKNUPRGAA-SCRDCRAPSA-N 1 2 354.397 2.384 50 0 FEAALO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2c(O)cc(F)cc2F)C[C@H](C)O1 ZINC000095390027 542967887 /nfs/dbraw/zinc/96/78/87/542967887.db2.gz ZZENENKNUPRGAA-SCRDCRAPSA-N 1 2 354.397 2.384 50 0 FEAALO O=C(Nc1cccc(-c2ccccc2)c1)N1C[C@H](O)[C@@H]([NH+]2CCOCC2)C1 ZINC000095518068 542978996 /nfs/dbraw/zinc/97/89/96/542978996.db2.gz SNVJENQSBMRCGQ-PMACEKPBSA-N 1 2 367.449 2.263 50 0 FEAALO CCc1nc(N)sc1C(=O)N1CCC[C@@H](c2[nH+]ccn2CCOC)C1 ZINC000095518806 542979015 /nfs/dbraw/zinc/97/90/15/542979015.db2.gz KTDKARMULOFXFK-GFCCVEGCSA-N 1 2 363.487 2.150 50 0 FEAALO C[N@H+](CC(=O)N1CCc2[nH]c(-c3ccccc3)nc2C1)Cc1ccccn1 ZINC000095526836 542981307 /nfs/dbraw/zinc/98/13/07/542981307.db2.gz ZZOCRIVQYLZXQW-UHFFFAOYSA-N 1 2 361.449 2.488 50 0 FEAALO C[N@@H+](CC(=O)N1CCc2[nH]c(-c3ccccc3)nc2C1)Cc1ccccn1 ZINC000095526836 542981311 /nfs/dbraw/zinc/98/13/11/542981311.db2.gz ZZOCRIVQYLZXQW-UHFFFAOYSA-N 1 2 361.449 2.488 50 0 FEAALO CC(C)c1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)nc2ncnn21 ZINC000095529153 542981512 /nfs/dbraw/zinc/98/15/12/542981512.db2.gz AICHEKKQKJQOSL-ZDUSSCGKSA-N 1 2 353.430 2.001 50 0 FEAALO CS(=O)(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@H]3CO)cs2)cc1 ZINC000104961475 543153127 /nfs/dbraw/zinc/15/31/27/543153127.db2.gz BWWMVDUVMIABNS-AWEZNQCLSA-N 1 2 352.481 2.170 50 0 FEAALO CS(=O)(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@H]3CO)cs2)cc1 ZINC000104961475 543153129 /nfs/dbraw/zinc/15/31/29/543153129.db2.gz BWWMVDUVMIABNS-AWEZNQCLSA-N 1 2 352.481 2.170 50 0 FEAALO COCCn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000091635888 221776047 /nfs/dbraw/zinc/77/60/47/221776047.db2.gz VOONWXRHNYJOHI-CQSZACIVSA-N 1 2 367.446 2.237 50 0 FEAALO CC(=O)OCCc1cccc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000096013037 221992074 /nfs/dbraw/zinc/99/20/74/221992074.db2.gz UJBYFXODJRLZRN-UHFFFAOYSA-N 1 2 363.458 2.025 50 0 FEAALO C/C=C\c1ccc(OC[C@H](O)C[NH+]2CCN(C(=O)C3CC3)CC2)c(OC)c1 ZINC000096128277 222035790 /nfs/dbraw/zinc/03/57/90/222035790.db2.gz JGIGPNHQYHQOFP-DDKKJVIOSA-N 1 2 374.481 2.022 50 0 FEAALO CC[C@H](NC(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1)c1[nH]cc(C)[nH+]1 ZINC000096152118 222053782 /nfs/dbraw/zinc/05/37/82/222053782.db2.gz UETDQEHYQZRQHM-AWEZNQCLSA-N 1 2 370.413 2.389 50 0 FEAALO CC(=O)Nc1ccc(C)c(NC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)c1 ZINC000096162341 222060951 /nfs/dbraw/zinc/06/09/51/222060951.db2.gz HTBBWPAVFWURCU-UHFFFAOYSA-N 1 2 370.457 2.037 50 0 FEAALO C[N@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000097011562 222151377 /nfs/dbraw/zinc/15/13/77/222151377.db2.gz GBEZXFVOTKOSLG-MRXNPFEDSA-N 1 2 352.390 2.175 50 0 FEAALO C[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000097011562 222151378 /nfs/dbraw/zinc/15/13/78/222151378.db2.gz GBEZXFVOTKOSLG-MRXNPFEDSA-N 1 2 352.390 2.175 50 0 FEAALO CC(C)Sc1ccccc1NC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000097413257 222179144 /nfs/dbraw/zinc/17/91/44/222179144.db2.gz AJDHZIPUWCSCKH-UHFFFAOYSA-N 1 2 350.488 2.131 50 0 FEAALO CC(C)Sc1ccccc1NC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000097413257 222179147 /nfs/dbraw/zinc/17/91/47/222179147.db2.gz AJDHZIPUWCSCKH-UHFFFAOYSA-N 1 2 350.488 2.131 50 0 FEAALO COc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(Cl)cc1OCC(=O)[O-] ZINC000097773183 222211662 /nfs/dbraw/zinc/21/16/62/222211662.db2.gz CULANKWHPSDBBW-GOSISDBHSA-N 1 2 368.861 2.388 50 0 FEAALO COc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(Cl)cc1OCC(=O)[O-] ZINC000097773183 222211664 /nfs/dbraw/zinc/21/16/64/222211664.db2.gz CULANKWHPSDBBW-GOSISDBHSA-N 1 2 368.861 2.388 50 0 FEAALO CCOc1ccccc1CN1CC[N@H+](Cc2cn(C)nc2C)C[C@H]1CCO ZINC000107100639 222390944 /nfs/dbraw/zinc/39/09/44/222390944.db2.gz LTBFVLGWKSQPTN-HXUWFJFHSA-N 1 2 372.513 2.196 50 0 FEAALO CCOc1ccccc1CN1CC[N@@H+](Cc2cn(C)nc2C)C[C@H]1CCO ZINC000107100639 222390946 /nfs/dbraw/zinc/39/09/46/222390946.db2.gz LTBFVLGWKSQPTN-HXUWFJFHSA-N 1 2 372.513 2.196 50 0 FEAALO CC(C)Oc1cccnc1C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000079406494 325089860 /nfs/dbraw/zinc/08/98/60/325089860.db2.gz CPIZATZBHFDANS-HNNXBMFYSA-N 1 2 370.453 2.419 50 0 FEAALO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2csc(C(C)(C)C)n2)C1 ZINC000275602574 330068998 /nfs/dbraw/zinc/06/89/98/330068998.db2.gz IBLXMGTZAXYNOB-GFCCVEGCSA-N 1 2 374.514 2.159 50 0 FEAALO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2csc(C(C)(C)C)n2)C1 ZINC000275602574 330069000 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Cc1cccc2nc(C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)cn21 ZINC000032250512 539932370 /nfs/dbraw/zinc/93/23/70/539932370.db2.gz OWQLHHXCVOHRLU-GOSISDBHSA-N 1 2 364.449 2.274 50 0 FEAALO Cc1cccc2nc(C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)cn21 ZINC000032250512 539932374 /nfs/dbraw/zinc/93/23/74/539932374.db2.gz OWQLHHXCVOHRLU-GOSISDBHSA-N 1 2 364.449 2.274 50 0 FEAALO CCCNC(=O)NC(=O)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000032911842 539958717 /nfs/dbraw/zinc/95/87/17/539958717.db2.gz XDSTWQOGHSPQBY-DZGCQCFKSA-N 1 2 374.268 2.119 50 0 FEAALO CCCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000032911842 539958718 /nfs/dbraw/zinc/95/87/18/539958718.db2.gz XDSTWQOGHSPQBY-DZGCQCFKSA-N 1 2 374.268 2.119 50 0 FEAALO CNC(=O)C1=C(Nc2ccc([NH+](C)C)cc2)c2ccccc2S1(=O)=O ZINC000033027467 539964677 /nfs/dbraw/zinc/96/46/77/539964677.db2.gz STZGOMKLWNAJMB-UHFFFAOYSA-N 1 2 357.435 2.067 50 0 FEAALO O=C(NCC[NH+]1CCOCC1)c1sc2ncccc2c1-n1cccc1 ZINC000033059831 539966567 /nfs/dbraw/zinc/96/65/67/539966567.db2.gz WRJXYGCUTSKLIF-UHFFFAOYSA-N 1 2 356.451 2.149 50 0 FEAALO O=C(NCC1CC1)c1coc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)n1 ZINC000034678227 539976892 /nfs/dbraw/zinc/97/68/92/539976892.db2.gz RCEFWNFXJLKBHF-UHFFFAOYSA-N 1 2 372.444 2.271 50 0 FEAALO O=C(C[NH+]1CCN(C(=O)N[C@@H](c2ccccc2)C2CC2)CC1)N1CCCC1 ZINC000036391060 539990453 /nfs/dbraw/zinc/99/04/53/539990453.db2.gz XFACUTRTRFARBH-FQEVSTJZSA-N 1 2 370.497 2.087 50 0 FEAALO O=C(COc1ccc(F)cc1)NCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000036699905 539992891 /nfs/dbraw/zinc/99/28/91/539992891.db2.gz ZZEXWZGKRGXWPQ-LJQANCHMSA-N 1 2 358.413 2.394 50 0 FEAALO O=C(COc1ccc(F)cc1)NCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000036699905 539992895 /nfs/dbraw/zinc/99/28/95/539992895.db2.gz ZZEXWZGKRGXWPQ-LJQANCHMSA-N 1 2 358.413 2.394 50 0 FEAALO O=C(C[NH+](C[C@@H]1CCCO1)C[C@@H]1CCCO1)N1CCC(c2ccccc2)=N1 ZINC000040120159 540006792 /nfs/dbraw/zinc/00/67/92/540006792.db2.gz MNZBJVJTOWNENS-OALUTQOASA-N 1 2 371.481 2.283 50 0 FEAALO O=Cc1cccn1-c1nnc(N2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000045796071 540228271 /nfs/dbraw/zinc/22/82/71/540228271.db2.gz LGSZVJMQETZBPT-UHFFFAOYSA-N 1 2 353.451 2.464 50 0 FEAALO CC(C)c1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)[nH]n1 ZINC000048366125 535365804 /nfs/dbraw/zinc/36/58/04/535365804.db2.gz KQYPOAZPEBASIO-ZIAGYGMSSA-N 1 2 357.458 2.472 50 0 FEAALO O=C(CCS(=O)(=O)C1CCCC1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000048111722 540345914 /nfs/dbraw/zinc/34/59/14/540345914.db2.gz QLZWESMCMPOTIS-UHFFFAOYSA-N 1 2 365.499 2.046 50 0 FEAALO O=C(CCNC(=O)c1ccco1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000048263132 540354290 /nfs/dbraw/zinc/35/42/90/540354290.db2.gz SEBVETMVEVQOKV-UHFFFAOYSA-N 1 2 370.453 2.491 50 0 FEAALO O=C(CCC(=O)N1CC[NH+](Cc2ccccc2CO)CC1)c1ccccc1 ZINC000055091105 540627097 /nfs/dbraw/zinc/62/70/97/540627097.db2.gz WCAXHUIRJGVKHT-UHFFFAOYSA-N 1 2 366.461 2.486 50 0 FEAALO Cc1c[nH]c(CN(C)C(=O)c2ccc(OCC(=O)N3CCCCC3)cc2)[nH+]1 ZINC000055168179 540633134 /nfs/dbraw/zinc/63/31/34/540633134.db2.gz AWFFVTBPEZLLLV-UHFFFAOYSA-N 1 2 370.453 2.382 50 0 FEAALO CC(C)Cc1cc(C(=O)N2CC[NH+](Cc3ccccc3CO)CC2)on1 ZINC000055197546 540635022 /nfs/dbraw/zinc/63/50/22/540635022.db2.gz GOFDDNMMATUQDW-UHFFFAOYSA-N 1 2 357.454 2.323 50 0 FEAALO CCOC(=O)N1CC[NH+]([C@@H]2CCCN(C(=O)c3ccsc3)C2)CC1 ZINC000055052784 540624369 /nfs/dbraw/zinc/62/43/69/540624369.db2.gz CULAGTKVARYRHR-OAHLLOKOSA-N 1 2 351.472 2.127 50 0 FEAALO C[C@@H](C(=O)Nc1ccc(F)c(F)c1F)[NH+]1CCC(C(=O)NC2CC2)CC1 ZINC000055915186 540687324 /nfs/dbraw/zinc/68/73/24/540687324.db2.gz HGFIOPMPVQGHCF-JTQLQIEISA-N 1 2 369.387 2.422 50 0 FEAALO CN1CC[NH+](Cc2cccc(NC(=O)[C@@H]3COc4ccccc4O3)c2)CC1 ZINC000057053990 540765265 /nfs/dbraw/zinc/76/52/65/540765265.db2.gz OECZJERHHRDGLQ-FQEVSTJZSA-N 1 2 367.449 2.213 50 0 FEAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2oc(CO)cc(=O)c2O)c(OC)c1 ZINC000070666269 541734908 /nfs/dbraw/zinc/73/49/08/541734908.db2.gz LZAZLIVRMAHUHL-OAHLLOKOSA-N 1 2 361.394 2.192 50 0 FEAALO COc1ccc([C@H]2CCC[N@H+]2Cc2oc(CO)cc(=O)c2O)c(OC)c1 ZINC000070666269 541734910 /nfs/dbraw/zinc/73/49/10/541734910.db2.gz LZAZLIVRMAHUHL-OAHLLOKOSA-N 1 2 361.394 2.192 50 0 FEAALO Cc1nonc1C(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072146441 541787770 /nfs/dbraw/zinc/78/77/70/541787770.db2.gz FYYICTYOZSBOMJ-CGTJXYLNSA-N 1 2 374.391 2.359 50 0 FEAALO Cc1c(F)cccc1CN1CC[N@@H+](CC(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000072412007 541807455 /nfs/dbraw/zinc/80/74/55/541807455.db2.gz ZZWCNTZNDQYQTE-MSOLQXFVSA-N 1 2 354.491 2.073 50 0 FEAALO Cc1c(F)cccc1CN1CC[N@H+](CC(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000072412007 541807457 /nfs/dbraw/zinc/80/74/57/541807457.db2.gz ZZWCNTZNDQYQTE-MSOLQXFVSA-N 1 2 354.491 2.073 50 0 FEAALO O=C(C[C@@H]1NC(=O)c2ccccc21)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000072475331 541819267 /nfs/dbraw/zinc/81/92/67/541819267.db2.gz ZLSRZOTZUHUKAT-IBGZPJMESA-N 1 2 367.424 2.345 50 0 FEAALO Cc1nn(C)c2nc[nH+]c(NCc3ccccc3CN3CCCC3=O)c12 ZINC000072474507 541819693 /nfs/dbraw/zinc/81/96/93/541819693.db2.gz YEHFKQQGHFMVEK-UHFFFAOYSA-N 1 2 350.426 2.406 50 0 FEAALO CN(C)C(=O)N1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000058281624 212001495 /nfs/dbraw/zinc/00/14/95/212001495.db2.gz OBGIDEGIVSQWQI-UHFFFAOYSA-N 1 2 354.454 2.460 50 0 FEAALO Cc1noc(C)c1S(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000047031386 211844427 /nfs/dbraw/zinc/84/44/27/211844427.db2.gz WABMWSOVTQSYKE-CQSZACIVSA-N 1 2 353.444 2.390 50 0 FEAALO C[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)C(c1ccccc1)c1ccccc1 ZINC000016340812 220182863 /nfs/dbraw/zinc/18/28/63/220182863.db2.gz UPELQJRQOKAKRC-SFHVURJKSA-N 1 2 372.490 2.011 50 0 FEAALO C[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)C(c1ccccc1)c1ccccc1 ZINC000016340812 220182867 /nfs/dbraw/zinc/18/28/67/220182867.db2.gz UPELQJRQOKAKRC-SFHVURJKSA-N 1 2 372.490 2.011 50 0 FEAALO Cc1ccc(S(=O)(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c(Cl)c1 ZINC000025374086 211429448 /nfs/dbraw/zinc/42/94/48/211429448.db2.gz WYQOOSOHGKJTFJ-OAHLLOKOSA-N 1 2 360.907 2.284 50 0 FEAALO O=C(CN1CCc2ccccc21)NCc1ccccc1C[NH+]1CCOCC1 ZINC000024002154 211399885 /nfs/dbraw/zinc/39/98/85/211399885.db2.gz SJQAUNUHEFTXFN-UHFFFAOYSA-N 1 2 365.477 2.198 50 0 FEAALO C[C@H]1CCCC[C@]12NC(=O)N(C[N@H+](C)Cc1ccc3c(c1)OCCO3)C2=O ZINC000023652737 211393386 /nfs/dbraw/zinc/39/33/86/211393386.db2.gz PCESZMRMYPAYMT-XOBRGWDASA-N 1 2 373.453 2.348 50 0 FEAALO C[C@H]1CCCC[C@]12NC(=O)N(C[N@@H+](C)Cc1ccc3c(c1)OCCO3)C2=O ZINC000023652737 211393389 /nfs/dbraw/zinc/39/33/89/211393389.db2.gz PCESZMRMYPAYMT-XOBRGWDASA-N 1 2 373.453 2.348 50 0 FEAALO CC[NH+](CC)[C@H](CNC(=O)CCNC(=O)c1ccco1)Cc1ccccc1 ZINC000023196895 211379459 /nfs/dbraw/zinc/37/94/59/211379459.db2.gz AWJHYEMMZZPQGZ-SFHVURJKSA-N 1 2 371.481 2.469 50 0 FEAALO Cc1ccc(C[NH+]2CCN(CC(=O)Nc3cccc4nsnc43)CC2)o1 ZINC000022923356 211371927 /nfs/dbraw/zinc/37/19/27/211371927.db2.gz BMOXTWVPQZAXHM-UHFFFAOYSA-N 1 2 371.466 2.349 50 0 FEAALO Cc1cccc(C[NH+]2CCN(S(=O)(=O)N3CCCCCC3)CC2)c1 ZINC000022475262 211352216 /nfs/dbraw/zinc/35/22/16/211352216.db2.gz ILGCIJDPSFVRLB-UHFFFAOYSA-N 1 2 351.516 2.233 50 0 FEAALO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)COc2ccc(F)cc2)CC1 ZINC000022465874 211350829 /nfs/dbraw/zinc/35/08/29/211350829.db2.gz HYIJNLYJEQLVAK-UHFFFAOYSA-N 1 2 371.412 2.231 50 0 FEAALO O=C(NCc1cccs1)c1ccc(SCC[NH+]2CCOCC2)nc1 ZINC000021663568 211320516 /nfs/dbraw/zinc/32/05/16/211320516.db2.gz KBBPLOBUHNFTTJ-UHFFFAOYSA-N 1 2 363.508 2.497 50 0 FEAALO CCOCC(=O)Nc1c2ccccc2oc1C(=O)N1CC[NH+](CC)CC1 ZINC000020942339 211300575 /nfs/dbraw/zinc/30/05/75/211300575.db2.gz NVNBZIYJSOEDSI-UHFFFAOYSA-N 1 2 359.426 2.186 50 0 FEAALO Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CC[NH+](C)CC3)cs2)n1 ZINC000020386577 211276390 /nfs/dbraw/zinc/27/63/90/211276390.db2.gz YGEMUJZOTRNFKG-UHFFFAOYSA-N 1 2 359.377 2.044 50 0 FEAALO O=C(Nc1ccc(Cl)cc1)O[C@H]1CS(=O)(=O)C[C@H]1[NH+]1CCCC1 ZINC000019848700 211260495 /nfs/dbraw/zinc/26/04/95/211260495.db2.gz KMQWTBWVBPRDIK-KGLIPLIRSA-N 1 2 358.847 2.150 50 0 FEAALO CC(=O)n1c2ccccc2c2nnc(SCC[NH+]3CCOCC3)nc21 ZINC000019797023 211256939 /nfs/dbraw/zinc/25/69/39/211256939.db2.gz PXIYKMVAWFYHNH-UHFFFAOYSA-N 1 2 357.439 2.064 50 0 FEAALO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000019229201 211210432 /nfs/dbraw/zinc/21/04/32/211210432.db2.gz AQWUBYMQCHAICF-QGZVFWFLSA-N 1 2 359.389 2.291 50 0 FEAALO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000019336144 211216313 /nfs/dbraw/zinc/21/63/13/211216313.db2.gz AYQCZQKMGKDZPS-HZPDHXFCSA-N 1 2 358.891 2.262 50 0 in-vitro FEAALO COc1ccc([C@H](NC(=O)Cc2c(C)noc2C)c2[nH+]ccn2C)cc1 ZINC000016475700 211161257 /nfs/dbraw/zinc/16/12/57/211161257.db2.gz HRWAXAMQNGRGCT-SFHVURJKSA-N 1 2 354.410 2.482 50 0 FEAALO CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1cc(Br)ccc1OC ZINC000015444118 211131384 /nfs/dbraw/zinc/13/13/84/211131384.db2.gz WTFUBLVYTIBXQS-SNVBAGLBSA-N 1 2 372.263 2.124 50 0 FEAALO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Br)ccc1OC ZINC000015444118 211131389 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CCCc1[nH+]c2ccccc2n1[C@H](C)C(=O)NCCOc1nonc1C ZINC000055060547 540625614 /nfs/dbraw/zinc/62/56/14/540625614.db2.gz NEPQFQWVXNVHMI-CYBMUJFWSA-N 1 2 357.414 2.436 50 0 FEAALO CCCN(CCC)C(=O)CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000058072700 540828316 /nfs/dbraw/zinc/82/83/16/540828316.db2.gz NXRBDWZGOQZTSZ-UHFFFAOYSA-N 1 2 359.514 2.388 50 0 FEAALO CCCN(CCC)C(=O)C[NH+]1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000058072700 540828320 /nfs/dbraw/zinc/82/83/20/540828320.db2.gz NXRBDWZGOQZTSZ-UHFFFAOYSA-N 1 2 359.514 2.388 50 0 FEAALO CCC[NH+]1CCN(C(=O)c2sc3nc4n(c(=O)c3c2C)CCCC4)CC1 ZINC000058138092 540829961 /nfs/dbraw/zinc/82/99/61/540829961.db2.gz XWZMUZAWAYZYMA-UHFFFAOYSA-N 1 2 374.510 2.271 50 0 FEAALO COCCOc1ccc(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cn1 ZINC000058157629 540830780 /nfs/dbraw/zinc/83/07/80/540830780.db2.gz VGQGUXMNZHWYIG-UHFFFAOYSA-N 1 2 371.441 2.424 50 0 FEAALO CCC(=O)Nc1ccc(S(=O)(=O)N(Cc2[nH+]ccn2C)C2CC2)cc1 ZINC000058210916 540833970 /nfs/dbraw/zinc/83/39/70/540833970.db2.gz QQBHLKSTSACGMF-UHFFFAOYSA-N 1 2 362.455 2.122 50 0 FEAALO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3CCCS(=O)(=O)N(C)C)nc2c1 ZINC000072146630 541787804 /nfs/dbraw/zinc/78/78/04/541787804.db2.gz VXNLPUAUPNETBG-INIZCTEOSA-N 1 2 350.488 2.290 50 0 FEAALO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3CCCS(=O)(=O)N(C)C)nc2c1 ZINC000072146630 541787806 /nfs/dbraw/zinc/78/78/06/541787806.db2.gz VXNLPUAUPNETBG-INIZCTEOSA-N 1 2 350.488 2.290 50 0 FEAALO Cc1ccc2nc([C@@H]3CCC[N@H+]3CCCS(=O)(=O)N(C)C)[nH]c2c1 ZINC000072146630 541787808 /nfs/dbraw/zinc/78/78/08/541787808.db2.gz VXNLPUAUPNETBG-INIZCTEOSA-N 1 2 350.488 2.290 50 0 FEAALO Cc1ccc2nc([C@@H]3CCC[N@@H+]3CCCS(=O)(=O)N(C)C)[nH]c2c1 ZINC000072146630 541787809 /nfs/dbraw/zinc/78/78/09/541787809.db2.gz VXNLPUAUPNETBG-INIZCTEOSA-N 1 2 350.488 2.290 50 0 FEAALO CNc1nc2c(c(C(=O)N3CCCC3)n1)C[N@H+](Cc1ccsc1)CC2 ZINC000072144072 541787332 /nfs/dbraw/zinc/78/73/32/541787332.db2.gz LDTDFYWMYDALCU-UHFFFAOYSA-N 1 2 357.483 2.374 50 0 FEAALO CNc1nc2c(c(C(=O)N3CCCC3)n1)C[N@@H+](Cc1ccsc1)CC2 ZINC000072144072 541787335 /nfs/dbraw/zinc/78/73/35/541787335.db2.gz LDTDFYWMYDALCU-UHFFFAOYSA-N 1 2 357.483 2.374 50 0 FEAALO O=C(Cc1c[nH+]c2ccccn12)N1CCC2(CC1)c1ccccc1C[C@H]2O ZINC000072148152 541788952 /nfs/dbraw/zinc/78/89/52/541788952.db2.gz HVBDVQSIUKEKFJ-LJQANCHMSA-N 1 2 361.445 2.354 50 0 FEAALO COc1ccccc1/C=C/C[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(C)CC(C)C ZINC000072170164 541795181 /nfs/dbraw/zinc/79/51/81/541795181.db2.gz GRKJCVRIDJCXDP-PDFOZTTASA-N 1 2 373.497 2.013 50 0 FEAALO COc1ccccc1/C=C/C[N@H+]1CCNC(=O)[C@H]1CC(=O)N(C)CC(C)C ZINC000072170164 541795182 /nfs/dbraw/zinc/79/51/82/541795182.db2.gz GRKJCVRIDJCXDP-PDFOZTTASA-N 1 2 373.497 2.013 50 0 FEAALO C[NH+](C)[C@H](C(=O)NCCCC(=O)N1Cc2ccccc2C1)c1cccnc1 ZINC000072310122 541798841 /nfs/dbraw/zinc/79/88/41/541798841.db2.gz WOYURFMVPZVEFL-FQEVSTJZSA-N 1 2 366.465 2.123 50 0 FEAALO CN(C)c1ccc(CNC(=O)Nc2ccc(C3=NNC(=O)CC3)cc2)c[nH+]1 ZINC000072314260 541798985 /nfs/dbraw/zinc/79/89/85/541798985.db2.gz XIZZRJBUXMPLBF-UHFFFAOYSA-N 1 2 366.425 2.083 50 0 FEAALO CCN1C[C@]2(CCCN(C(=O)c3ccc(Cn4cc[nH+]c4)o3)C2)CCC1=O ZINC000072454021 541815588 /nfs/dbraw/zinc/81/55/88/541815588.db2.gz LUONTLZEVZGFPB-FQEVSTJZSA-N 1 2 370.453 2.389 50 0 FEAALO Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000072479841 541821197 /nfs/dbraw/zinc/82/11/97/541821197.db2.gz FWEDWWNTYUDSQZ-GOSISDBHSA-N 1 2 367.497 2.360 50 0 FEAALO O=C(c1cccc(-n2cnnc2)c1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000072476033 541819480 /nfs/dbraw/zinc/81/94/80/541819480.db2.gz RIZQEVLKMDZOBO-UHFFFAOYSA-N 1 2 365.412 2.364 50 0 FEAALO CC(C)[C@@H](C(=O)Nc1cnn(Cc2ccncc2)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000058380739 212007539 /nfs/dbraw/zinc/00/75/39/212007539.db2.gz WVUCXHCFROEYSO-MDZRGWNJSA-N 1 2 371.485 2.399 50 0 FEAALO CN(C(=O)C[NH+]1CCN(C(=O)c2cccc3ccccc32)CC1)C1CC1 ZINC000058367629 212005743 /nfs/dbraw/zinc/00/57/43/212005743.db2.gz CRZKGVXEXNEJHI-UHFFFAOYSA-N 1 2 351.450 2.218 50 0 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CCc1noc([C@@H](C)n2cc[nH+]c2-c2ccc(S(=O)(=O)NC)cc2)n1 ZINC000071763437 221370199 /nfs/dbraw/zinc/37/01/99/221370199.db2.gz GXRQJIZCPYXETR-LLVKDONJSA-N 1 2 361.427 2.013 50 0 FEAALO CN(C)C(=O)NCc1cc2n(n1)CC[N@H+](Cc1cc3ccccc3n1C)C2 ZINC000082133938 542685218 /nfs/dbraw/zinc/68/52/18/542685218.db2.gz CGRIJIMOVQXLBY-UHFFFAOYSA-N 1 2 366.469 2.162 50 0 FEAALO CN(C)C(=O)NCc1cc2n(n1)CC[N@@H+](Cc1cc3ccccc3n1C)C2 ZINC000082133938 542685219 /nfs/dbraw/zinc/68/52/19/542685219.db2.gz CGRIJIMOVQXLBY-UHFFFAOYSA-N 1 2 366.469 2.162 50 0 FEAALO Cc1cc(N2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)nc(C(C)C)[nH+]1 ZINC000077303076 132180416 /nfs/dbraw/zinc/18/04/16/132180416.db2.gz ROPAPIFCZWWILX-HXUWFJFHSA-N 1 2 360.502 2.500 50 0 FEAALO COc1ccc(N2CCN(Cc3[nH+]ccc(OC)c3OC)[C@H](C)C2=O)cc1 ZINC000077485949 132186777 /nfs/dbraw/zinc/18/67/77/132186777.db2.gz PTPWULHCFPMIDT-CQSZACIVSA-N 1 2 371.437 2.345 50 0 FEAALO COc1ccccc1N1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000225516522 132285404 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O=C(c1c[nH]c(=O)cn1)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082139008 526579446 /nfs/dbraw/zinc/57/94/46/526579446.db2.gz YTWRTNGGXQWWQA-MRXNPFEDSA-N 1 2 363.421 2.035 50 0 FEAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1ccccc1 ZINC000020523247 526776537 /nfs/dbraw/zinc/77/65/37/526776537.db2.gz BKGNBUVYHOOFCC-UHFFFAOYSA-N 1 2 353.422 2.172 50 0 FEAALO COc1cccc(N2CC[NH+](CC(=O)Nc3ccccc3OC)CC2)c1 ZINC000057362953 537122882 /nfs/dbraw/zinc/12/28/82/537122882.db2.gz PTKFYSQCKYSXNA-UHFFFAOYSA-N 1 2 355.438 2.465 50 0 FEAALO Cc1nc(-c2ccccc2)ncc1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000177861690 546697617 /nfs/dbraw/zinc/69/76/17/546697617.db2.gz DEULIFCRCZTBIW-UHFFFAOYSA-N 1 2 354.454 2.293 50 0 FEAALO Cc1nc(-c2ccccc2)ncc1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000177861690 546697623 /nfs/dbraw/zinc/69/76/23/546697623.db2.gz DEULIFCRCZTBIW-UHFFFAOYSA-N 1 2 354.454 2.293 50 0 FEAALO Cc1ccc([C@@H](CNC(=O)c2c[nH]nc2C2CC2)[NH+]2CCOCC2)s1 ZINC000190577373 548328944 /nfs/dbraw/zinc/32/89/44/548328944.db2.gz 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Cc1cc(C)nc(SCC(=O)NCc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000030299436 539878185 /nfs/dbraw/zinc/87/81/85/539878185.db2.gz BSSMCIPSTQZWAG-UHFFFAOYSA-N 1 2 357.483 2.497 50 0 FEAALO COc1ccc(CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000032247968 539931896 /nfs/dbraw/zinc/93/18/96/539931896.db2.gz ITLJZJLLBCKQEI-FQEVSTJZSA-N 1 2 354.450 2.255 50 0 FEAALO COc1ccc(CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000032247968 539931897 /nfs/dbraw/zinc/93/18/97/539931897.db2.gz ITLJZJLLBCKQEI-FQEVSTJZSA-N 1 2 354.450 2.255 50 0 FEAALO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC000032928290 539960433 /nfs/dbraw/zinc/96/04/33/539960433.db2.gz BKSWYQTUCHAZMB-LLVKDONJSA-N 1 2 365.231 2.270 50 0 FEAALO COc1ccccc1[C@@H](CNS(=O)(=O)c1ccccc1F)[NH+](C)C ZINC000033047874 539965243 /nfs/dbraw/zinc/96/52/43/539965243.db2.gz ZKRJTFGGDJTVRL-OAHLLOKOSA-N 1 2 352.431 2.416 50 0 FEAALO O=S(=O)(c1ccc2c(c1)CCC2)N1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000036383951 539989224 /nfs/dbraw/zinc/98/92/24/539989224.db2.gz JXYXIGAYWTVVDD-GOSISDBHSA-N 1 2 364.511 2.051 50 0 FEAALO O=S(=O)(NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1)c1ccccc1 ZINC000036700247 539992608 /nfs/dbraw/zinc/99/26/08/539992608.db2.gz VAHVFCKVAMGJDK-IBGZPJMESA-N 1 2 360.479 2.429 50 0 FEAALO O=S(=O)(NCCC[N@H+]1CCO[C@H](c2ccccc2)C1)c1ccccc1 ZINC000036700247 539992611 /nfs/dbraw/zinc/99/26/11/539992611.db2.gz VAHVFCKVAMGJDK-IBGZPJMESA-N 1 2 360.479 2.429 50 0 FEAALO CCNC(=O)NC(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000036386899 539990447 /nfs/dbraw/zinc/99/04/47/539990447.db2.gz FLIVXUILOLGTSV-IBGZPJMESA-N 1 2 366.465 2.396 50 0 FEAALO C[C@H]1CCCN(C(=O)C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)C1 ZINC000040120330 540006960 /nfs/dbraw/zinc/00/69/60/540006960.db2.gz ITGQDKJWHMMRKY-FXAWDEMLSA-N 1 2 369.509 2.294 50 0 FEAALO C[C@H]1CCCN(C(=O)C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)C1 ZINC000040120330 540006963 /nfs/dbraw/zinc/00/69/63/540006963.db2.gz ITGQDKJWHMMRKY-FXAWDEMLSA-N 1 2 369.509 2.294 50 0 FEAALO Cc1cc(C[NH+]2CCN(Cc3csc(-c4ncccn4)n3)CC2)on1 ZINC000040153366 540008236 /nfs/dbraw/zinc/00/82/36/540008236.db2.gz ZLVFXIAJTJTALD-UHFFFAOYSA-N 1 2 356.455 2.214 50 0 FEAALO C[C@H](C(=O)Nc1nccs1)[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000052702787 540484384 /nfs/dbraw/zinc/48/43/84/540484384.db2.gz SFOIVUKTEASEAC-UONOGXRCSA-N 1 2 364.515 2.441 50 0 FEAALO C[C@@H]([NH3+])c1n[nH]c(CC(=O)Nc2ccc(C(=O)OC3CCCC3)cc2)n1 ZINC000055132255 540630676 /nfs/dbraw/zinc/63/06/76/540630676.db2.gz ZNQYHSUNHAUYDP-LLVKDONJSA-N 1 2 357.414 2.105 50 0 FEAALO CCCCNC(=O)NC(=O)C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000057352189 540791169 /nfs/dbraw/zinc/79/11/69/540791169.db2.gz ZMSDXIMDRKVRDY-CQSZACIVSA-N 1 2 353.488 2.355 50 0 FEAALO CCCCNC(=O)NC(=O)C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000057352189 540791172 /nfs/dbraw/zinc/79/11/72/540791172.db2.gz ZMSDXIMDRKVRDY-CQSZACIVSA-N 1 2 353.488 2.355 50 0 FEAALO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+](C)Cc1ccccc1F ZINC000058044685 540827896 /nfs/dbraw/zinc/82/78/96/540827896.db2.gz IAUJYHKUKIWFOX-IBGZPJMESA-N 1 2 370.424 2.384 50 0 FEAALO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+](C)Cc1ccccc1F ZINC000058044685 540827900 /nfs/dbraw/zinc/82/79/00/540827900.db2.gz IAUJYHKUKIWFOX-IBGZPJMESA-N 1 2 370.424 2.384 50 0 FEAALO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CCn1ncc(=O)c2ccccc21 ZINC000058148159 540829823 /nfs/dbraw/zinc/82/98/23/540829823.db2.gz XXNNGPMYNGQQRQ-SFHVURJKSA-N 1 2 367.453 2.214 50 0 FEAALO Cc1cc(NCCC(=O)N2C[C@H](C)O[C@@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000058223834 540834636 /nfs/dbraw/zinc/83/46/36/540834636.db2.gz UOZZZXXBKWANMX-GJZGRUSLSA-N 1 2 355.442 2.285 50 0 FEAALO CCn1ncc(C(=O)NCCc2[nH+]ccn2C(F)F)c1C(F)(F)F ZINC000069924915 541724160 /nfs/dbraw/zinc/72/41/60/541724160.db2.gz GLVNNZOEQWOPPZ-UHFFFAOYSA-N 1 2 351.279 2.486 50 0 FEAALO CC(C)CC1(NC(=O)C[C@@H]2C(=O)NCC[N@H+]2CCc2ccccc2)CC1 ZINC000072126383 541784497 /nfs/dbraw/zinc/78/44/97/541784497.db2.gz BBADUWBJTCXLHJ-GOSISDBHSA-N 1 2 357.498 2.115 50 0 FEAALO CC(C)CC1(NC(=O)C[C@@H]2C(=O)NCC[N@@H+]2CCc2ccccc2)CC1 ZINC000072126383 541784498 /nfs/dbraw/zinc/78/44/98/541784498.db2.gz BBADUWBJTCXLHJ-GOSISDBHSA-N 1 2 357.498 2.115 50 0 FEAALO CC(C)CNC(=O)[C@H](C)N1CCn2nc(C[N@H+](C)Cc3ccoc3)cc2C1 ZINC000072150864 541789613 /nfs/dbraw/zinc/78/96/13/541789613.db2.gz NQKZFHAHIIQRLF-INIZCTEOSA-N 1 2 373.501 2.084 50 0 FEAALO CC(C)CNC(=O)[C@H](C)N1CCn2nc(C[N@@H+](C)Cc3ccoc3)cc2C1 ZINC000072150864 541789616 /nfs/dbraw/zinc/78/96/16/541789616.db2.gz NQKZFHAHIIQRLF-INIZCTEOSA-N 1 2 373.501 2.084 50 0 FEAALO C[NH+](C)[C@@H](C(=O)NCCCC(=O)N1Cc2ccccc2C1)c1cccnc1 ZINC000072310123 541798519 /nfs/dbraw/zinc/79/85/19/541798519.db2.gz WOYURFMVPZVEFL-HXUWFJFHSA-N 1 2 366.465 2.123 50 0 FEAALO CC(C)=CCN1CC[N@H+](CCCc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072427915 541811064 /nfs/dbraw/zinc/81/10/64/541811064.db2.gz HFCKCIXWEJYPAC-VQTJNVASSA-N 1 2 362.539 2.369 50 0 FEAALO CC(C)=CCN1CC[N@@H+](CCCc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072427915 541811067 /nfs/dbraw/zinc/81/10/67/541811067.db2.gz HFCKCIXWEJYPAC-VQTJNVASSA-N 1 2 362.539 2.369 50 0 FEAALO CCN1C[C@@]2(CCC[N@H+](CCS(=O)(=O)c3ccccc3)C2)CCC1=O ZINC000072432389 541812827 /nfs/dbraw/zinc/81/28/27/541812827.db2.gz OEISAVUIMMFETN-IBGZPJMESA-N 1 2 364.511 2.185 50 0 FEAALO CCN1C[C@@]2(CCC[N@@H+](CCS(=O)(=O)c3ccccc3)C2)CCC1=O ZINC000072432389 541812829 /nfs/dbraw/zinc/81/28/29/541812829.db2.gz OEISAVUIMMFETN-IBGZPJMESA-N 1 2 364.511 2.185 50 0 FEAALO Cc1ccn(-c2cc(NCCNC(=O)c3ccc(F)cc3F)[nH+]cn2)n1 ZINC000072446680 541814942 /nfs/dbraw/zinc/81/49/42/541814942.db2.gz OIKNJZXMGOVODJ-UHFFFAOYSA-N 1 2 358.352 2.091 50 0 FEAALO Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCCN(C(=O)c2ccc[nH]2)C1 ZINC000072470278 541818984 /nfs/dbraw/zinc/81/89/84/541818984.db2.gz GFKWQDQTXNBRKQ-OAHLLOKOSA-N 1 2 356.474 2.149 50 0 FEAALO COc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)NC2CCCCC2)cc1C ZINC000012718301 220021728 /nfs/dbraw/zinc/02/17/28/220021728.db2.gz MTPXLVXEKRZAAH-SFHVURJKSA-N 1 2 373.497 2.143 50 0 FEAALO COc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)NC2CCCCC2)cc1C ZINC000012718301 220021730 /nfs/dbraw/zinc/02/17/30/220021730.db2.gz MTPXLVXEKRZAAH-SFHVURJKSA-N 1 2 373.497 2.143 50 0 FEAALO Cn1c(-c2ccc(Cl)cc2)nn(C[NH+]2CCC(C(N)=O)CC2)c1=S ZINC000013063485 220055924 /nfs/dbraw/zinc/05/59/24/220055924.db2.gz ALQFDXOGHSBRJZ-UHFFFAOYSA-N 1 2 365.890 2.426 50 0 FEAALO Cc1ccc(NC(=O)CN(C)C(=O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000016442964 220184294 /nfs/dbraw/zinc/18/42/94/220184294.db2.gz AWLQRMJFXRVDHF-UHFFFAOYSA-N 1 2 351.450 2.450 50 0 FEAALO Cc1ccc(NC(=O)CN(C)C(=O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000016442964 220184296 /nfs/dbraw/zinc/18/42/96/220184296.db2.gz AWLQRMJFXRVDHF-UHFFFAOYSA-N 1 2 351.450 2.450 50 0 FEAALO COc1ccc(OCC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000024002067 211399748 /nfs/dbraw/zinc/39/97/48/211399748.db2.gz UHTZQNAMFCIACW-HXUWFJFHSA-N 1 2 370.449 2.091 50 0 FEAALO COc1ccc(OCC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000024002067 211399752 /nfs/dbraw/zinc/39/97/52/211399752.db2.gz UHTZQNAMFCIACW-HXUWFJFHSA-N 1 2 370.449 2.091 50 0 FEAALO CCCCNC(=O)C[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000023288266 211382384 /nfs/dbraw/zinc/38/23/84/211382384.db2.gz QYYVFYFGWQZDRW-UHFFFAOYSA-N 1 2 368.319 2.483 50 0 FEAALO COc1ccc(C)cc1C[NH+]1CCN([C@@H](C)C(=O)Nc2cc(C)on2)CC1 ZINC000022924152 211370446 /nfs/dbraw/zinc/37/04/46/211370446.db2.gz DICJOVKCNPMORX-INIZCTEOSA-N 1 2 372.469 2.445 50 0 FEAALO CN1CC[NH+]([C@@H](CNc2nnnn2-c2ccccc2)c2cccs2)CC1 ZINC000022804235 211365096 /nfs/dbraw/zinc/36/50/96/211365096.db2.gz CGBLSHZHYLMMOT-INIZCTEOSA-N 1 2 369.498 2.124 50 0 FEAALO CN1CC[NH+]([C@H](CNc2nnnn2-c2ccccc2)c2cccs2)CC1 ZINC000022804240 211364280 /nfs/dbraw/zinc/36/42/80/211364280.db2.gz CGBLSHZHYLMMOT-MRXNPFEDSA-N 1 2 369.498 2.124 50 0 FEAALO COC(=O)[C@H](c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022787325 211362879 /nfs/dbraw/zinc/36/28/79/211362879.db2.gz USMRZZIKAHMWJO-FQEVSTJZSA-N 1 2 368.433 2.447 50 0 FEAALO O=C(C[N@@H+]1CCOc2ccccc2C1)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000019742083 211253721 /nfs/dbraw/zinc/25/37/21/211253721.db2.gz SYGYSKNXCOSELI-FQEVSTJZSA-N 1 2 366.461 2.351 50 0 FEAALO O=C(C[N@H+]1CCOc2ccccc2C1)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000019742083 211253723 /nfs/dbraw/zinc/25/37/23/211253723.db2.gz SYGYSKNXCOSELI-FQEVSTJZSA-N 1 2 366.461 2.351 50 0 FEAALO COc1ccc(N=c2sc(C(C)=O)c(C)n2N2CC[NH+](C)CC2)cc1 ZINC000016949840 211174075 /nfs/dbraw/zinc/17/40/75/211174075.db2.gz BNLCLQMPJRQCFR-HNENSFHCSA-N 1 2 360.483 2.185 50 0 FEAALO CNC(=O)CSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000016927330 211171516 /nfs/dbraw/zinc/17/15/16/211171516.db2.gz VZMFRAWSVASEFJ-JTQLQIEISA-N 1 2 353.879 2.381 50 0 FEAALO COc1cc(C)c(C)cc1S(=O)(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000010334699 210358203 /nfs/dbraw/zinc/35/82/03/210358203.db2.gz MWJYDGXHMHHOAL-CQSZACIVSA-N 1 2 352.456 2.486 50 0 FEAALO CCOc1ccccc1C[N@@H+]1CCN(Cc2ccc(CO)o2)C[C@@H]1CCO ZINC000077387146 542376212 /nfs/dbraw/zinc/37/62/12/542376212.db2.gz GQVMPPCYDGWSKF-SFHVURJKSA-N 1 2 374.481 2.239 50 0 FEAALO CCOc1ccccc1C[N@H+]1CCN(Cc2ccc(CO)o2)C[C@@H]1CCO ZINC000077387146 542376213 /nfs/dbraw/zinc/37/62/13/542376213.db2.gz GQVMPPCYDGWSKF-SFHVURJKSA-N 1 2 374.481 2.239 50 0 FEAALO CCOc1ccccc1CN1CC[N@H+](Cc2ccc(CO)o2)C[C@@H]1CCO ZINC000077387146 542376216 /nfs/dbraw/zinc/37/62/16/542376216.db2.gz GQVMPPCYDGWSKF-SFHVURJKSA-N 1 2 374.481 2.239 50 0 FEAALO CCOc1ccccc1CN1CC[N@@H+](Cc2ccc(CO)o2)C[C@@H]1CCO ZINC000077387146 542376218 /nfs/dbraw/zinc/37/62/18/542376218.db2.gz GQVMPPCYDGWSKF-SFHVURJKSA-N 1 2 374.481 2.239 50 0 FEAALO COc1ccc(CCNc2nc(N(C)C)[nH+]c3c2CCN(C(C)=O)C3)cc1 ZINC000077386753 542376318 /nfs/dbraw/zinc/37/63/18/542376318.db2.gz ZVUAJNSZJGQWGP-UHFFFAOYSA-N 1 2 369.469 2.110 50 0 FEAALO CCOC(=O)N1CC[NH+](C[C@H](O)COC23CC4CC(CC(C4)C2)C3)CC1 ZINC000020683496 220339642 /nfs/dbraw/zinc/33/96/42/220339642.db2.gz KIOJJOCLXNBOMS-AZRLCKCBSA-N 1 2 366.502 2.107 50 0 FEAALO CC[NH+]1CCN([C@H](c2cccc(F)c2)C2Sc3ncnn3C2=O)CC1 ZINC000022031234 220373834 /nfs/dbraw/zinc/37/38/34/220373834.db2.gz RUPVYMQJJNOVBW-CQSZACIVSA-N 1 2 361.446 2.362 50 0 FEAALO C[C@H](CCc1ccccc1)NC(=O)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000022011780 220373970 /nfs/dbraw/zinc/37/39/70/220373970.db2.gz HOUMAHQQHRFZPW-LJQANCHMSA-N 1 2 366.509 2.337 50 0 FEAALO Cn1cc[nH+]c1[C@@H](NC(=O)CCN1CCSC1=O)c1cccc(F)c1 ZINC000045561310 220972542 /nfs/dbraw/zinc/97/25/42/220972542.db2.gz CUHMKXFLUUAFOU-HNNXBMFYSA-N 1 2 362.430 2.324 50 0 FEAALO CC(=O)Nc1ccc(C(=O)N2CC[NH+](C[C@H](O)c3cccs3)CC2)cc1 ZINC000049031241 221017248 /nfs/dbraw/zinc/01/72/48/221017248.db2.gz OGVAFBJJAYMMMP-KRWDZBQOSA-N 1 2 373.478 2.198 50 0 FEAALO O=C(c1cccc2ccccc21)N1CC[NH+](CCN2CCCC2=O)CC1 ZINC000065497313 221227156 /nfs/dbraw/zinc/22/71/56/221227156.db2.gz UGLPCGFTAZAYIC-UHFFFAOYSA-N 1 2 351.450 2.220 50 0 FEAALO Cc1n[nH]c(C)c1CNC(=O)c1cc(Cn2c(C)[nH+]c3ccccc32)n[nH]1 ZINC000067432615 221253027 /nfs/dbraw/zinc/25/30/27/221253027.db2.gz JVKBRTKZXDWTDD-UHFFFAOYSA-N 1 2 363.425 2.386 50 0 FEAALO NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc2ccc(F)cc2[nH]c1=O ZINC000067604259 221262009 /nfs/dbraw/zinc/26/20/09/221262009.db2.gz NWLVKLANTMOOEI-SFHVURJKSA-N 1 2 351.381 2.079 50 0 FEAALO NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc2ccc(F)cc2[nH]c1=O ZINC000067604259 221262011 /nfs/dbraw/zinc/26/20/11/221262011.db2.gz NWLVKLANTMOOEI-SFHVURJKSA-N 1 2 351.381 2.079 50 0 FEAALO O=C(NC1C2CC3CC(C2)CC1C3)c1cc(C[NH+]2CCC(O)CC2)on1 ZINC000067675059 221269643 /nfs/dbraw/zinc/26/96/43/221269643.db2.gz CUJWQIZKJAMEPM-UHFFFAOYSA-N 1 2 359.470 2.186 50 0 FEAALO Cc1ccc(C2(O)CC[NH+](Cc3nnc(-c4cccnc4)o3)CC2)nc1 ZINC000067689351 221272204 /nfs/dbraw/zinc/27/22/04/221272204.db2.gz MSVHENLPOXVYJL-UHFFFAOYSA-N 1 2 351.410 2.319 50 0 FEAALO O=c1oc2ccccc2n1CCN1CCc2[nH+]c[nH]c2[C@@H]1c1ccncc1 ZINC000067821361 221290513 /nfs/dbraw/zinc/29/05/13/221290513.db2.gz DQYGICQNDSYUAV-IBGZPJMESA-N 1 2 361.405 2.360 50 0 FEAALO Cc1c([C@@H]2c3[nH]cnc3CC[N@H+]2Cc2cc3ccccc3[nH]c2=O)cnn1C ZINC000067785618 221284551 /nfs/dbraw/zinc/28/45/51/221284551.db2.gz OLHYJTLNACFQBL-HXUWFJFHSA-N 1 2 374.448 2.441 50 0 FEAALO Cc1c([C@@H]2c3[nH]cnc3CC[N@@H+]2Cc2cc3ccccc3[nH]c2=O)cnn1C ZINC000067785618 221284552 /nfs/dbraw/zinc/28/45/52/221284552.db2.gz OLHYJTLNACFQBL-HXUWFJFHSA-N 1 2 374.448 2.441 50 0 FEAALO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3[nH]nc(-c4ccccc4F)c3C2)C[C@H](C)O1 ZINC000067847128 221294031 /nfs/dbraw/zinc/29/40/31/221294031.db2.gz IGZJUSTWLLLGLV-OKILXGFUSA-N 1 2 372.444 2.210 50 0 FEAALO C[C@@H]1CN(C(=O)C[N@H+]2CCc3[nH]nc(-c4ccccc4F)c3C2)C[C@H](C)O1 ZINC000067847128 221294034 /nfs/dbraw/zinc/29/40/34/221294034.db2.gz IGZJUSTWLLLGLV-OKILXGFUSA-N 1 2 372.444 2.210 50 0 FEAALO CNS(=O)(=O)c1ccc(-c2[nH+]ccn2Cc2ccc3c(c2)OCO3)cc1 ZINC000067955209 221309041 /nfs/dbraw/zinc/30/90/41/221309041.db2.gz HIULDBLMMBDRAJ-UHFFFAOYSA-N 1 2 371.418 2.235 50 0 FEAALO CCc1noc([C@H](C)n2cc[nH+]c2-c2ccc(S(=O)(=O)NC)cc2)n1 ZINC000071763438 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Cc1cc(C)nc(N2CCN(C(=O)c3ccccc3-c3[nH]cc[nH+]3)CC2)n1 ZINC000097088010 132227802 /nfs/dbraw/zinc/22/78/02/132227802.db2.gz AJOZXXREHVNRRH-UHFFFAOYSA-N 1 2 362.437 2.446 50 0 FEAALO C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000013039009 132267453 /nfs/dbraw/zinc/26/74/53/132267453.db2.gz SBBJIOXCFKOSDL-OAGGEKHMSA-N 1 2 365.905 2.486 50 0 FEAALO Cc1cc(C)n(C2CN(C(=O)C[NH+]3CCN(c4cccc(C)c4)CC3)C2)n1 ZINC000240128329 132289082 /nfs/dbraw/zinc/28/90/82/132289082.db2.gz IPYNZDBTJDKTHQ-UHFFFAOYSA-N 1 2 367.497 2.014 50 0 FEAALO FC(F)(F)c1nc2nc[nH]c2c(N2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000241383269 132289507 /nfs/dbraw/zinc/28/95/07/132289507.db2.gz MTUWQZRGFQWGSP-UHFFFAOYSA-N 1 2 363.347 2.089 50 0 FEAALO FC(F)(F)c1nc2[nH]cnc2c(N2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000241383269 132289509 /nfs/dbraw/zinc/28/95/09/132289509.db2.gz MTUWQZRGFQWGSP-UHFFFAOYSA-N 1 2 363.347 2.089 50 0 FEAALO COc1ccc(-n2ncc3c2nc[nH+]c3N2CCC3(CC2)OCCO3)cc1 ZINC000000792115 132378580 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Cc1ccccc1C(=O)N1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000038528180 136118812 /nfs/dbraw/zinc/11/88/12/136118812.db2.gz PMTHGOIWCNSCJJ-UHFFFAOYSA-N 1 2 351.454 2.348 50 0 FEAALO Cc1ccccc1C(=O)N1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000038528180 136118813 /nfs/dbraw/zinc/11/88/13/136118813.db2.gz PMTHGOIWCNSCJJ-UHFFFAOYSA-N 1 2 351.454 2.348 50 0 FEAALO Cc1noc(C)c1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000040106808 136119337 /nfs/dbraw/zinc/11/93/37/136119337.db2.gz QMODRGLKCMQPPB-BETUJISGSA-N 1 2 358.442 2.159 50 0 FEAALO CC(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000042211506 136121233 /nfs/dbraw/zinc/12/12/33/136121233.db2.gz LTTZORCNHKOXMP-UHFFFAOYSA-N 1 2 373.478 2.226 50 0 FEAALO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000052537488 136124479 /nfs/dbraw/zinc/12/44/79/136124479.db2.gz QAMFEBZBOJEUOF-UHFFFAOYSA-N 1 2 371.412 2.358 50 0 FEAALO CCCc1cnc(C)nc1N1CCC(Cn2cc(C[NH+](C)C)nn2)CC1 ZINC000063855789 136133089 /nfs/dbraw/zinc/13/30/89/136133089.db2.gz 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COc1ccc(CN2CC[N@@H+](Cc3cccnc3)C[C@H]2CCO)c(F)c1 ZINC000104389373 222356800 /nfs/dbraw/zinc/35/68/00/222356800.db2.gz PVCJXCIEFJBAKW-GOSISDBHSA-N 1 2 359.445 2.298 50 0 FEAALO COc1ccc(C[N@@H+]2CCN(Cc3cccnc3)C[C@H]2CCO)c(F)c1 ZINC000104389373 222356805 /nfs/dbraw/zinc/35/68/05/222356805.db2.gz PVCJXCIEFJBAKW-GOSISDBHSA-N 1 2 359.445 2.298 50 0 FEAALO COc1ccc(C[N@H+]2CCN(Cc3cccnc3)C[C@H]2CCO)c(F)c1 ZINC000104389373 222356808 /nfs/dbraw/zinc/35/68/08/222356808.db2.gz PVCJXCIEFJBAKW-GOSISDBHSA-N 1 2 359.445 2.298 50 0 FEAALO OCCOc1ccc(C[N@@H+]2CCN(Cc3ccccc3)[C@H](CCO)C2)cc1 ZINC000104499867 222359102 /nfs/dbraw/zinc/35/91/02/222359102.db2.gz BJPPVWQOHBTAJX-OAQYLSRUSA-N 1 2 370.493 2.127 50 0 FEAALO OCCOc1ccc(C[N@H+]2CCN(Cc3ccccc3)[C@H](CCO)C2)cc1 ZINC000104499867 222359105 /nfs/dbraw/zinc/35/91/05/222359105.db2.gz BJPPVWQOHBTAJX-OAQYLSRUSA-N 1 2 370.493 2.127 50 0 FEAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)NCCc1ccc(OC)cc1 ZINC000106110730 222382593 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O=C(NCc1c(F)cccc1Cl)c1cc(C[N@@H+]2CCC[C@H](O)C2)on1 ZINC000012745353 539571887 /nfs/dbraw/zinc/57/18/87/539571887.db2.gz UWWGIHKMWFLUBU-NSHDSACASA-N 1 2 367.808 2.354 50 0 FEAALO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(Cc2ccc(Cl)cc2)CC1 ZINC000299761808 210012717 /nfs/dbraw/zinc/01/27/17/210012717.db2.gz AMIBFPXAICKBEQ-INIZCTEOSA-N 1 2 360.845 2.002 50 0 FEAALO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(Cc2ccc(Cl)cc2)CC1 ZINC000299761808 210012719 /nfs/dbraw/zinc/01/27/19/210012719.db2.gz AMIBFPXAICKBEQ-INIZCTEOSA-N 1 2 360.845 2.002 50 0 FEAALO COc1ccc(C(=O)C2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1 ZINC000014111281 539595764 /nfs/dbraw/zinc/59/57/64/539595764.db2.gz BRMVTXHHCLXJGM-UHFFFAOYSA-N 1 2 351.410 2.471 50 0 FEAALO COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000016622044 539634179 /nfs/dbraw/zinc/63/41/79/539634179.db2.gz CVHPZVJPHSXXJJ-UHFFFAOYSA-N 1 2 367.858 2.255 50 0 FEAALO CC[NH+](CC)CCn1c(=O)c2ccc(C(=O)NC(C)C)cc2[nH]c1=S ZINC000020645259 539677010 /nfs/dbraw/zinc/67/70/10/539677010.db2.gz HLLUIJMONSZTSB-UHFFFAOYSA-N 1 2 362.499 2.165 50 0 FEAALO CC(C)(C)C(=O)NCC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000023639642 539717465 /nfs/dbraw/zinc/71/74/65/539717465.db2.gz HFRLHBPNZRCLPW-UHFFFAOYSA-N 1 2 351.878 2.147 50 0 FEAALO COc1ccc([C@@H](O)C2CC[NH+](CC(=O)Nc3cc(C)no3)CC2)cc1 ZINC000024763974 539739894 /nfs/dbraw/zinc/73/98/94/539739894.db2.gz VHYPITBWNUAGTP-LJQANCHMSA-N 1 2 359.426 2.376 50 0 FEAALO CCCC[C@H](C(=O)Nc1cc(C)on1)[NH+]1CCN(c2ncccn2)CC1 ZINC000025378215 539758953 /nfs/dbraw/zinc/75/89/53/539758953.db2.gz JQWPINYJOFFUHU-OAHLLOKOSA-N 1 2 358.446 2.093 50 0 FEAALO C[C@H](CC(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)n1cc[nH+]c1 ZINC000025572572 539763799 /nfs/dbraw/zinc/76/37/99/539763799.db2.gz VGJXJRNHYVLETH-QAPCUYQASA-N 1 2 360.433 2.163 50 0 FEAALO COc1cc(OC)cc([C@@H](NC(=O)c2cc(C)no2)c2[nH+]ccn2C)c1 ZINC000029131228 539844103 /nfs/dbraw/zinc/84/41/03/539844103.db2.gz SRMMDWRHJIPKQK-MRXNPFEDSA-N 1 2 356.382 2.253 50 0 FEAALO O=C(Cc1csc(-n2cccc2)n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000030819509 539891846 /nfs/dbraw/zinc/89/18/46/539891846.db2.gz KAFHPNULIYRGCE-UHFFFAOYSA-N 1 2 353.451 2.220 50 0 FEAALO CCOc1ccc(C[NH+]2CCN([C@@H](C)C(=O)Nc3ncccn3)CC2)cc1 ZINC000032891626 539957249 /nfs/dbraw/zinc/95/72/49/539957249.db2.gz QVVHCDNFKSEMSL-INIZCTEOSA-N 1 2 369.469 2.020 50 0 FEAALO COc1c(C(=O)N2CCCC2)cn(C)c1-c1[nH+]c2cc(N)ccc2n1C ZINC000036370059 539989298 /nfs/dbraw/zinc/98/92/98/539989298.db2.gz IRQFYTBCBYYOMY-UHFFFAOYSA-N 1 2 353.426 2.406 50 0 FEAALO O=C(CN1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1)N1CCCC1 ZINC000040019951 540003967 /nfs/dbraw/zinc/00/39/67/540003967.db2.gz LSTYXWYFKKLHER-UHFFFAOYSA-N 1 2 371.403 2.325 50 0 FEAALO O=C(C[NH+]1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)N1CCCC1 ZINC000040019951 540003969 /nfs/dbraw/zinc/00/39/69/540003969.db2.gz LSTYXWYFKKLHER-UHFFFAOYSA-N 1 2 371.403 2.325 50 0 FEAALO O=C(NCCCn1cc[nH+]c1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000040039579 540004616 /nfs/dbraw/zinc/00/46/16/540004616.db2.gz VSXZDEMSCMXCEH-UHFFFAOYSA-N 1 2 353.426 2.447 50 0 FEAALO Cc1oc(-c2ccccc2)nc1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000046699030 540267278 /nfs/dbraw/zinc/26/72/78/540267278.db2.gz QUEUHEOEDFEAKY-UHFFFAOYSA-N 1 2 357.454 2.420 50 0 FEAALO CCOC(=O)C1C(C[NH+]2CCCCC2)=NC(=O)N[C@H]1c1ccccc1OC ZINC000049942578 540394957 /nfs/dbraw/zinc/39/49/57/540394957.db2.gz MRCPEALVXQVOJO-SFHVURJKSA-N 1 2 373.453 2.352 50 0 FEAALO O=C(NCC[NH+]1CCOCC1)c1ccccc1SC[C@@H]1CCCO1 ZINC000052893789 540497699 /nfs/dbraw/zinc/49/76/99/540497699.db2.gz CKUAWCPNTWWCNR-HNNXBMFYSA-N 1 2 350.484 2.020 50 0 FEAALO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)C1 ZINC000055529334 540656773 /nfs/dbraw/zinc/65/67/73/540656773.db2.gz VYEKBXVEFQKKCO-SWLSCSKDSA-N 1 2 364.829 2.247 50 0 FEAALO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)C1 ZINC000055529334 540656775 /nfs/dbraw/zinc/65/67/75/540656775.db2.gz VYEKBXVEFQKKCO-SWLSCSKDSA-N 1 2 364.829 2.247 50 0 FEAALO CCNC(=O)c1cccc(NC(=O)C[N@H+](Cc2cnn(C)c2)C(C)C)c1 ZINC000055921014 540687407 /nfs/dbraw/zinc/68/74/07/540687407.db2.gz BXTCLDJZVDZXFK-UHFFFAOYSA-N 1 2 357.458 2.019 50 0 FEAALO CCNC(=O)c1cccc(NC(=O)C[N@@H+](Cc2cnn(C)c2)C(C)C)c1 ZINC000055921014 540687409 /nfs/dbraw/zinc/68/74/09/540687409.db2.gz BXTCLDJZVDZXFK-UHFFFAOYSA-N 1 2 357.458 2.019 50 0 FEAALO O=C(c1cnnn1-c1ccccc1Cl)N1CC[NH+](Cc2ccco2)CC1 ZINC000058098955 540829290 /nfs/dbraw/zinc/82/92/90/540829290.db2.gz CESWDQROLZURTC-UHFFFAOYSA-N 1 2 371.828 2.472 50 0 FEAALO O=C(CCn1c(=O)oc2ccccc21)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000058174407 540831665 /nfs/dbraw/zinc/83/16/65/540831665.db2.gz MAMVRPKKFRWGCU-UHFFFAOYSA-N 1 2 362.389 2.487 50 0 FEAALO C[N@H+](CCOc1ccc(Cl)cc1)CN1C(=O)C[C@]2(CCSC2)C1=O ZINC000058204980 540833610 /nfs/dbraw/zinc/83/36/10/540833610.db2.gz BRRNLRFPOJNBIB-KRWDZBQOSA-N 1 2 368.886 2.490 50 0 FEAALO C[N@@H+](CCOc1ccc(Cl)cc1)CN1C(=O)C[C@]2(CCSC2)C1=O ZINC000058204980 540833613 /nfs/dbraw/zinc/83/36/13/540833613.db2.gz BRRNLRFPOJNBIB-KRWDZBQOSA-N 1 2 368.886 2.490 50 0 FEAALO Cc1cc(NCCC(=O)N2C[C@@H](C)O[C@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000058223832 540834593 /nfs/dbraw/zinc/83/45/93/540834593.db2.gz UOZZZXXBKWANMX-HUUCEWRRSA-N 1 2 355.442 2.285 50 0 FEAALO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000058218180 540834608 /nfs/dbraw/zinc/83/46/08/540834608.db2.gz ZIYIYVJFKMWIST-HNNXBMFYSA-N 1 2 370.428 2.419 50 0 FEAALO Cc1ccn(-c2cc(NCCNC(=O)Nc3ccccc3F)[nH+]cn2)n1 ZINC000072115682 541783908 /nfs/dbraw/zinc/78/39/08/541783908.db2.gz ZSTPYVCETAECAZ-UHFFFAOYSA-N 1 2 355.377 2.343 50 0 FEAALO O=C(CCc1n[nH]c2c1CCCC2)N[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000072133716 541785011 /nfs/dbraw/zinc/78/50/11/541785011.db2.gz SJROYTRZSKBHGF-KRWDZBQOSA-N 1 2 367.497 2.397 50 0 FEAALO O=C(CCc1n[nH]c2c1CCCC2)N[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000072133716 541785014 /nfs/dbraw/zinc/78/50/14/541785014.db2.gz SJROYTRZSKBHGF-KRWDZBQOSA-N 1 2 367.497 2.397 50 0 FEAALO O=C(Cn1c2ccccc2[nH+]c1C1CC1)N1CCC[C@@]2(CNC(=O)O2)CC1 ZINC000072163927 541793507 /nfs/dbraw/zinc/79/35/07/541793507.db2.gz ZMKGSAVPBKCQGU-FQEVSTJZSA-N 1 2 368.437 2.405 50 0 FEAALO COC(=O)c1ccc(CNC(=O)C[N@@H+]2CCCC[C@H]2c2ccccn2)o1 ZINC000072164570 541793557 /nfs/dbraw/zinc/79/35/57/541793557.db2.gz DDSZMHLEGDVYJO-INIZCTEOSA-N 1 2 357.410 2.305 50 0 FEAALO COC(=O)c1ccc(CNC(=O)C[N@H+]2CCCC[C@H]2c2ccccn2)o1 ZINC000072164570 541793558 /nfs/dbraw/zinc/79/35/58/541793558.db2.gz DDSZMHLEGDVYJO-INIZCTEOSA-N 1 2 357.410 2.305 50 0 FEAALO Cc1nsc(N2CC[NH+]([C@@H](C(=O)N3CCCC3)c3ccccc3)CC2)n1 ZINC000072308863 541798306 /nfs/dbraw/zinc/79/83/06/541798306.db2.gz QIWCVWWVJJRXJO-QGZVFWFLSA-N 1 2 371.510 2.332 50 0 FEAALO COc1ccc(NC(=O)[C@@H](C)N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)cc1 ZINC000072312015 541799063 /nfs/dbraw/zinc/79/90/63/541799063.db2.gz QZAJUCFHXWSPDQ-ZIAGYGMSSA-N 1 2 362.499 2.131 50 0 FEAALO Cc1noc(C)c1CN(C)C(=O)C[C@@H]1COCC[N@@H+]1Cc1cccc(C)n1 ZINC000072410895 541806985 /nfs/dbraw/zinc/80/69/85/541806985.db2.gz IVUCQLMYHPKEMS-GOSISDBHSA-N 1 2 372.469 2.244 50 0 FEAALO Cc1noc(C)c1CN(C)C(=O)C[C@@H]1COCC[N@H+]1Cc1cccc(C)n1 ZINC000072410895 541806988 /nfs/dbraw/zinc/80/69/88/541806988.db2.gz IVUCQLMYHPKEMS-GOSISDBHSA-N 1 2 372.469 2.244 50 0 FEAALO Cc1cccnc1C[NH+]1CCN(C(=O)c2cc(-c3cccn3C)n[nH]2)CC1 ZINC000072408646 541806662 /nfs/dbraw/zinc/80/66/62/541806662.db2.gz UVIGCVRSXNMKKW-UHFFFAOYSA-N 1 2 364.453 2.077 50 0 FEAALO CC(C)=CC(=O)N1CCc2ncnc(NCCCn3cc[nH+]c3)c2CC1 ZINC000072408011 541806788 /nfs/dbraw/zinc/80/67/88/541806788.db2.gz SHPMYKQCBKSDPW-UHFFFAOYSA-N 1 2 354.458 2.069 50 0 FEAALO CN1CC[N@H+](Cc2ccccc2-c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072418443 541807915 /nfs/dbraw/zinc/80/79/15/541807915.db2.gz PPDCAMGMTKQMJJ-UXHICEINSA-N 1 2 356.491 2.267 50 0 FEAALO CN1CC[N@@H+](Cc2ccccc2-c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072418443 541807917 /nfs/dbraw/zinc/80/79/17/541807917.db2.gz PPDCAMGMTKQMJJ-UXHICEINSA-N 1 2 356.491 2.267 50 0 FEAALO O=C(CCc1cc(=O)[nH]o1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000072423912 541809733 /nfs/dbraw/zinc/80/97/33/541809733.db2.gz LUFWPDBMPRGDHU-UHFFFAOYSA-N 1 2 355.438 2.015 50 0 FEAALO O=C(CCc1cc(=O)[nH]o1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000072423912 541809736 /nfs/dbraw/zinc/80/97/36/541809736.db2.gz LUFWPDBMPRGDHU-UHFFFAOYSA-N 1 2 355.438 2.015 50 0 FEAALO CCN1C[C@]2(CCC[N@H+](CCS(=O)(=O)c3ccccc3)C2)CCC1=O ZINC000072432391 541812638 /nfs/dbraw/zinc/81/26/38/541812638.db2.gz OEISAVUIMMFETN-LJQANCHMSA-N 1 2 364.511 2.185 50 0 FEAALO CCN1C[C@]2(CCC[N@@H+](CCS(=O)(=O)c3ccccc3)C2)CCC1=O ZINC000072432391 541812642 /nfs/dbraw/zinc/81/26/42/541812642.db2.gz OEISAVUIMMFETN-LJQANCHMSA-N 1 2 364.511 2.185 50 0 FEAALO CCc1noc(C)c1C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000058202838 211994719 /nfs/dbraw/zinc/99/47/19/211994719.db2.gz GALBGNHURRITJS-UHFFFAOYSA-N 1 2 373.453 2.186 50 0 FEAALO CC(C)[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000551094982 674123703 /nfs/dbraw/zinc/12/37/03/674123703.db2.gz GWJOMROLFAOCBD-IBGZPJMESA-N 1 2 362.495 2.163 50 0 FEAALO C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000075968267 542219839 /nfs/dbraw/zinc/21/98/39/542219839.db2.gz RFHCUPSFOHHEGV-HOTGVXAUSA-N 1 2 356.532 2.115 50 0 FEAALO C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@H+]1CCCC2(C1)CCCCCC2 ZINC000075968267 542219842 /nfs/dbraw/zinc/21/98/42/542219842.db2.gz RFHCUPSFOHHEGV-HOTGVXAUSA-N 1 2 356.532 2.115 50 0 FEAALO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000075968266 542220747 /nfs/dbraw/zinc/22/07/47/542220747.db2.gz RFHCUPSFOHHEGV-HZPDHXFCSA-N 1 2 356.532 2.115 50 0 FEAALO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCCC2(C1)CCCCCC2 ZINC000075968266 542220748 /nfs/dbraw/zinc/22/07/48/542220748.db2.gz RFHCUPSFOHHEGV-HZPDHXFCSA-N 1 2 356.532 2.115 50 0 FEAALO COc1cccc(NC(=O)CN(C)C(=O)C[N@H+](Cc2ccco2)C2CC2)c1 ZINC000023146371 211378156 /nfs/dbraw/zinc/37/81/56/211378156.db2.gz QSICTUHWAQOVDM-UHFFFAOYSA-N 1 2 371.437 2.350 50 0 FEAALO COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+](Cc2ccco2)C2CC2)c1 ZINC000023146371 211378161 /nfs/dbraw/zinc/37/81/61/211378161.db2.gz QSICTUHWAQOVDM-UHFFFAOYSA-N 1 2 371.437 2.350 50 0 FEAALO CC(=O)N1CCC(Cn2cc(C[N@@H+]3CCc4ccccc4C3)nn2)CC1 ZINC000023311201 211383450 /nfs/dbraw/zinc/38/34/50/211383450.db2.gz MOIPFAOOODANFF-UHFFFAOYSA-N 1 2 353.470 2.095 50 0 FEAALO CC(=O)N1CCC(Cn2cc(C[N@H+]3CCc4ccccc4C3)nn2)CC1 ZINC000023311201 211383453 /nfs/dbraw/zinc/38/34/53/211383453.db2.gz MOIPFAOOODANFF-UHFFFAOYSA-N 1 2 353.470 2.095 50 0 FEAALO CC(C)c1ccc(C[NH+]2CCN(Cc3oc(CO)cc(=O)c3O)CC2)cc1 ZINC000022804627 211364808 /nfs/dbraw/zinc/36/48/08/211364808.db2.gz SZVTWAAXTDRGME-UHFFFAOYSA-N 1 2 372.465 2.279 50 0 FEAALO CCc1ccc(OCC(=O)N2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000021786941 211325432 /nfs/dbraw/zinc/32/54/32/211325432.db2.gz UDIKDKCEVWWHEP-UHFFFAOYSA-N 1 2 353.466 2.410 50 0 FEAALO CCn1ncc(S(=O)(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)c1C ZINC000020045029 211266200 /nfs/dbraw/zinc/26/62/00/211266200.db2.gz ZFMFSKYGGBFNQX-UHFFFAOYSA-N 1 2 362.499 2.026 50 0 FEAALO O=C(NCC[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000019683315 211245343 /nfs/dbraw/zinc/24/53/43/211245343.db2.gz IWLNDLAOIQIZGD-UHFFFAOYSA-N 1 2 373.403 2.153 50 0 FEAALO COc1cc(OC)cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000014246679 211088225 /nfs/dbraw/zinc/08/82/25/211088225.db2.gz BAIYQYBEOPPHGN-HXUWFJFHSA-N 1 2 370.449 2.335 50 0 FEAALO COc1cc(OC)cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000014246679 211088228 /nfs/dbraw/zinc/08/82/28/211088228.db2.gz BAIYQYBEOPPHGN-HXUWFJFHSA-N 1 2 370.449 2.335 50 0 FEAALO COc1ccc(NC(=O)[C@H]([NH2+][C@@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 ZINC000014167879 211080859 /nfs/dbraw/zinc/08/08/59/211080859.db2.gz QPWUDXKYPIGMFV-SJLPKXTDSA-N 1 2 374.462 2.152 50 0 FEAALO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+](C)CCOc1cccc(Cl)c1 ZINC000014167922 211080609 /nfs/dbraw/zinc/08/06/09/211080609.db2.gz GXXDTGAVQNDACD-LLVKDONJSA-N 1 2 350.854 2.245 50 0 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CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000024901183 539743508 /nfs/dbraw/zinc/74/35/08/539743508.db2.gz YZTZDLMRHZLRSR-INIZCTEOSA-N 1 2 353.382 2.253 50 0 FEAALO O=C(c1ccnc(Cl)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000025384705 539758550 /nfs/dbraw/zinc/75/85/50/539758550.db2.gz HSWVTALIQNTMTR-UHFFFAOYSA-N 1 2 359.813 2.422 50 0 FEAALO CCOc1ccc(C[NH+]2CCN(C(=O)/C=C/c3cnn(C)c3)CC2)cc1 ZINC000027238509 539802885 /nfs/dbraw/zinc/80/28/85/539802885.db2.gz RBUZWACWLUUEAF-RMKNXTFCSA-N 1 2 354.454 2.176 50 0 FEAALO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)COCc1ccco1)c1ccccc1F ZINC000028690055 539835070 /nfs/dbraw/zinc/83/50/70/539835070.db2.gz DPWASUDCZLTOSX-KDOFPFPSSA-N 1 2 359.401 2.409 50 0 FEAALO O=C([C@@H]1Cc2ccccc2O1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000029632568 539859393 /nfs/dbraw/zinc/85/93/93/539859393.db2.gz HOCLTTVLRWNPDQ-FQEVSTJZSA-N 1 2 366.417 2.063 50 0 FEAALO O=C(NCc1ccncc1)c1nc(-c2ccc(Cn3cc[nH+]c3)cc2)no1 ZINC000031808979 539920422 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CC(C)(C)NC(=O)NC(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000036380231 539988962 /nfs/dbraw/zinc/98/89/62/539988962.db2.gz DFEKTQJALPKHPK-UHFFFAOYSA-N 1 2 352.866 2.086 50 0 FEAALO CNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000036311032 539989311 /nfs/dbraw/zinc/98/93/11/539989311.db2.gz ROPALQHYPTWOMV-QGZVFWFLSA-N 1 2 362.449 2.280 50 0 FEAALO O=C(NC1CC1)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000036252661 539988483 /nfs/dbraw/zinc/98/84/83/539988483.db2.gz GBXADUZTNFFABD-LJQANCHMSA-N 1 2 373.472 2.421 50 0 FEAALO CNC(=O)NC(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000037187939 539996240 /nfs/dbraw/zinc/99/62/40/539996240.db2.gz BCASRWAIOMKYLH-GOSISDBHSA-N 1 2 370.428 2.145 50 0 FEAALO CC(C)(C)NC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000040030778 540004598 /nfs/dbraw/zinc/00/45/98/540004598.db2.gz AQESZTYTABOTLZ-UHFFFAOYSA-N 1 2 365.905 2.332 50 0 FEAALO CC(C)(C)NC(=O)C[N@H+]1CCCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000040030778 540004601 /nfs/dbraw/zinc/00/46/01/540004601.db2.gz AQESZTYTABOTLZ-UHFFFAOYSA-N 1 2 365.905 2.332 50 0 FEAALO CCOc1ccccc1C(=O)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000040030774 540004643 /nfs/dbraw/zinc/00/46/43/540004643.db2.gz NEUMJKARPARJSY-UHFFFAOYSA-N 1 2 361.486 2.148 50 0 FEAALO CCOc1ccccc1C(=O)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000040030774 540004647 /nfs/dbraw/zinc/00/46/47/540004647.db2.gz NEUMJKARPARJSY-UHFFFAOYSA-N 1 2 361.486 2.148 50 0 FEAALO COc1ccc(OC[C@H](O)Cn2c(CCCO)[nH+]c3ccccc32)cc1 ZINC000040115593 540007035 /nfs/dbraw/zinc/00/70/35/540007035.db2.gz ZXHACTTZOYIWNR-OAHLLOKOSA-N 1 2 356.422 2.410 50 0 FEAALO CC(=O)N1CC[NH+](CCNc2ncnc3sc4c(c32)CC[C@H](C)C4)CC1 ZINC000052129248 540455646 /nfs/dbraw/zinc/45/56/46/540455646.db2.gz GBZRAGFZZJYEBL-ZDUSSCGKSA-N 1 2 373.526 2.392 50 0 FEAALO Cc1cc(N)nc(SCC(=O)NCC2(c3ccccc3)CCOCC2)[nH+]1 ZINC000053562036 540543695 /nfs/dbraw/zinc/54/36/95/540543695.db2.gz BOLCYLRTSWRECL-UHFFFAOYSA-N 1 2 372.494 2.324 50 0 FEAALO O=C(NCCCn1cc[nH+]c1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000054029094 540565132 /nfs/dbraw/zinc/56/51/32/540565132.db2.gz XMHMGQSBYQSIRJ-UHFFFAOYSA-N 1 2 361.490 2.097 50 0 FEAALO CCOc1cccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000056493936 540729885 /nfs/dbraw/zinc/72/98/85/540729885.db2.gz AEFWAZPBYACJCD-GOSISDBHSA-N 1 2 350.484 2.023 50 0 FEAALO CCOC(=O)C1CC[NH+]([C@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)CC1 ZINC000057327653 540790063 /nfs/dbraw/zinc/79/00/63/540790063.db2.gz BTYBUUJMDVTPDW-CYBMUJFWSA-N 1 2 364.442 2.264 50 0 FEAALO C[C@@H](C(=O)Nc1nccs1)[NH+]1CCC(C(=O)NCc2ccco2)CC1 ZINC000058182666 540832177 /nfs/dbraw/zinc/83/21/77/540832177.db2.gz WWZKSHSBGVIWBV-LBPRGKRZSA-N 1 2 362.455 2.092 50 0 FEAALO C[C@@H](Cn1cnc2ccccc2c1=O)[NH2+]Cc1noc(-c2ccco2)n1 ZINC000067540906 541477743 /nfs/dbraw/zinc/47/77/43/541477743.db2.gz HKZFHONFCCFBDC-LBPRGKRZSA-N 1 2 351.366 2.218 50 0 FEAALO Cc1cccc(OCC(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1 ZINC000072264671 541796635 /nfs/dbraw/zinc/79/66/35/541796635.db2.gz MIVRTCOJSCVCQB-FQEVSTJZSA-N 1 2 354.450 2.252 50 0 FEAALO COc1ccc(C(=O)NCCNc2cc(-n3c[nH+]c(C)c3C)ncn2)cc1 ZINC000072437821 541814203 /nfs/dbraw/zinc/81/42/03/541814203.db2.gz FKNKIFBXRJJNHI-UHFFFAOYSA-N 1 2 366.425 2.130 50 0 FEAALO CCC[N@@H+]1CCN(Cc2ccc(C)c(F)c2C)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072475502 541819618 /nfs/dbraw/zinc/81/96/18/541819618.db2.gz FQKUWSPURDLVPU-SJORKVTESA-N 1 2 354.491 2.136 50 0 FEAALO CCC[N@H+]1CCN(Cc2ccc(C)c(F)c2C)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072475502 541819619 /nfs/dbraw/zinc/81/96/19/541819619.db2.gz FQKUWSPURDLVPU-SJORKVTESA-N 1 2 354.491 2.136 50 0 FEAALO CCOCCO[C@@H](C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000058377665 212007453 /nfs/dbraw/zinc/00/74/53/212007453.db2.gz ZEEHMUMVQIQEQV-NSHDSACASA-N 1 2 370.247 2.155 50 0 FEAALO Cc1nc(NC(=O)C[N@@H+]2CCc3ccccc3C2)sc1C(=O)N(C)C ZINC000013322663 220063661 /nfs/dbraw/zinc/06/36/61/220063661.db2.gz JYQAVRJIFKQVSK-UHFFFAOYSA-N 1 2 358.467 2.150 50 0 FEAALO Cc1nc(NC(=O)C[N@H+]2CCc3ccccc3C2)sc1C(=O)N(C)C ZINC000013322663 220063662 /nfs/dbraw/zinc/06/36/62/220063662.db2.gz JYQAVRJIFKQVSK-UHFFFAOYSA-N 1 2 358.467 2.150 50 0 FEAALO CC(C)[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000551094994 674123775 /nfs/dbraw/zinc/12/37/75/674123775.db2.gz GWJOMROLFAOCBD-LJQANCHMSA-N 1 2 362.495 2.163 50 0 FEAALO O=C(NCCNc1cc(-n2cccc2)nc[nH+]1)Nc1ccc2c(c1)OCO2 ZINC000075172269 542157704 /nfs/dbraw/zinc/15/77/04/542157704.db2.gz ZNVWQQYRFCERMH-UHFFFAOYSA-N 1 2 366.381 2.230 50 0 FEAALO COc1ccc(CC[N@H+](C)CN2C(=O)c3ccccc3C2=O)cc1OC ZINC000023996037 211399408 /nfs/dbraw/zinc/39/94/08/211399408.db2.gz POMWKOAUZNCQFV-UHFFFAOYSA-N 1 2 354.406 2.432 50 0 FEAALO COc1ccc(CC[N@@H+](C)CN2C(=O)c3ccccc3C2=O)cc1OC ZINC000023996037 211399413 /nfs/dbraw/zinc/39/94/13/211399413.db2.gz POMWKOAUZNCQFV-UHFFFAOYSA-N 1 2 354.406 2.432 50 0 FEAALO O=C1C(=O)N(C[N@@H+]2CCc3ccccc3C2)C(=O)N1CCc1cccs1 ZINC000023732116 211395238 /nfs/dbraw/zinc/39/52/38/211395238.db2.gz 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ZINC000014085543 211072196 /nfs/dbraw/zinc/07/21/96/211072196.db2.gz DVVKYYDERVIDKM-UHFFFAOYSA-N 1 2 356.401 2.137 50 0 FEAALO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000013001737 211018270 /nfs/dbraw/zinc/01/82/70/211018270.db2.gz RTISUHSMKOTYFN-UHFFFAOYSA-N 1 2 350.422 2.497 50 0 FEAALO Cc1cccn2cc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)[nH+]c12 ZINC000013038778 211022288 /nfs/dbraw/zinc/02/22/88/211022288.db2.gz SYKBJSZRGGFTOW-UHFFFAOYSA-N 1 2 370.478 2.149 50 0 FEAALO CC(C)[NH+]1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000012927370 211008368 /nfs/dbraw/zinc/00/83/68/211008368.db2.gz OEAFXAATPFONQO-UHFFFAOYSA-N 1 2 353.307 2.225 50 0 FEAALO CCn1c(C[NH+]2CCCC2)nnc1C1CCN(C(=O)N2CCCC2)CC1 ZINC000077287942 542362852 /nfs/dbraw/zinc/36/28/52/542362852.db2.gz OYGLMGWFHVHPSS-UHFFFAOYSA-N 1 2 360.506 2.289 50 0 FEAALO O=C(c1ccc2c(c1)ncn2CCO)N1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000077338579 542368550 /nfs/dbraw/zinc/36/85/50/542368550.db2.gz LEFVBDSBRILKDV-QGZVFWFLSA-N 1 2 367.453 2.310 50 0 FEAALO 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C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1cnc(N2CCOCC2)nc1 ZINC000216282015 132271070 /nfs/dbraw/zinc/27/10/70/132271070.db2.gz MEHJTQVWZIBQQV-UHFFFAOYSA-N 1 2 364.453 2.335 50 0 FEAALO C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1cnc(N2CCOCC2)nc1 ZINC000216282015 132271072 /nfs/dbraw/zinc/27/10/72/132271072.db2.gz MEHJTQVWZIBQQV-UHFFFAOYSA-N 1 2 364.453 2.335 50 0 FEAALO OCc1cc2n(n1)CC[N@@H+](C1CCN(c3ccc4c(c3)CCC4)CC1)C2 ZINC000220740968 132276294 /nfs/dbraw/zinc/27/62/94/132276294.db2.gz CHBNURDYMJQZIU-UHFFFAOYSA-N 1 2 352.482 2.349 50 0 FEAALO OCc1cc2n(n1)CC[N@H+](C1CCN(c3ccc4c(c3)CCC4)CC1)C2 ZINC000220740968 132276296 /nfs/dbraw/zinc/27/62/96/132276296.db2.gz CHBNURDYMJQZIU-UHFFFAOYSA-N 1 2 352.482 2.349 50 0 FEAALO CCc1c[nH+]c(C)nc1N1C[C@H](NC(=O)C2CCOCC2)[C@@H](C2CC2)C1 ZINC000091364743 542805283 /nfs/dbraw/zinc/80/52/83/542805283.db2.gz QOGNCEWSICTBDT-MSOLQXFVSA-N 1 2 358.486 2.105 50 0 FEAALO CC(C)n1cc[nH+]c1C1CCN(C(=O)c2cccc(OCC(N)=O)c2)CC1 ZINC000091460855 542808942 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O=C(Cc1ccc(F)cc1)NCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000056997426 136127858 /nfs/dbraw/zinc/12/78/58/136127858.db2.gz MRBJINQEBQNJKD-UHFFFAOYSA-N 1 2 359.420 2.446 50 0 FEAALO C[C@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057406268 136129256 /nfs/dbraw/zinc/12/92/56/136129256.db2.gz SBBJIOXCFKOSDL-BZUAXINKSA-N 1 2 365.905 2.486 50 0 FEAALO COc1ccc2[nH]c(CCN(C)C(=O)c3cnc(N(C)C)nc3C)[nH+]c2c1 ZINC000095368406 542961920 /nfs/dbraw/zinc/96/19/20/542961920.db2.gz LOUUHHKDLGDYRQ-UHFFFAOYSA-N 1 2 368.441 2.051 50 0 FEAALO C[C@H]1CCCN(C(=O)CNc2ccc([NH+]3CCCCC3)cc2C(N)=O)C1 ZINC000057948724 136130346 /nfs/dbraw/zinc/13/03/46/136130346.db2.gz KRILHRMPQWBELI-HNNXBMFYSA-N 1 2 358.486 2.446 50 0 FEAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)C1 ZINC000095372296 542963063 /nfs/dbraw/zinc/96/30/63/542963063.db2.gz DXBKHHGRJZLUFG-MRXNPFEDSA-N 1 2 371.485 2.332 50 0 FEAALO CC(=O)c1ccc(N2CCC[C@@H](c3nnc(C[NH+]4CCCC4)n3C)C2)nc1 ZINC000072473373 136149082 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CC(C)CNC(=O)NC(=O)C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000057352263 540790982 /nfs/dbraw/zinc/79/09/82/540790982.db2.gz FWWUUWCDRZJCBS-CQSZACIVSA-N 1 2 353.488 2.211 50 0 FEAALO O=C(NCc1cn2cc(Br)ccc2[nH+]1)c1ccc2n[nH]nc2c1 ZINC000058177766 540831349 /nfs/dbraw/zinc/83/13/49/540831349.db2.gz AMUFYLQTJKLWFC-UHFFFAOYSA-N 1 2 371.198 2.298 50 0 FEAALO Cc1cc(NCCc2ccc(S(N)(=O)=O)cc2)nc(-c2ccncc2)[nH+]1 ZINC000060112778 540869107 /nfs/dbraw/zinc/86/91/07/540869107.db2.gz KKKGNBJYZSNIOL-UHFFFAOYSA-N 1 2 369.450 2.149 50 0 FEAALO CC(C)Oc1ccc(NC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)c(F)c1 ZINC000072270426 541796531 /nfs/dbraw/zinc/79/65/31/541796531.db2.gz ZNYPVYYZWRPVKU-CQSZACIVSA-N 1 2 352.454 2.370 50 0 FEAALO CC(C)Cc1[nH]c2ccc(NC(=O)CCNC(=O)c3cnccn3)cc2[nH+]1 ZINC000072405118 541805370 /nfs/dbraw/zinc/80/53/70/541805370.db2.gz TVODLEAKDBFAHX-UHFFFAOYSA-N 1 2 366.425 2.310 50 0 FEAALO C[C@@H]1C[N@H+](C2CCN(C(=O)c3cc(C(F)(F)F)[nH]n3)CC2)C[C@H](C)O1 ZINC000072418954 541808247 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368.485 2.216 50 0 FEAALO Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000072480580 541821493 /nfs/dbraw/zinc/82/14/93/541821493.db2.gz VKUMDRUIERMHEK-KRWDZBQOSA-N 1 2 368.485 2.216 50 0 FEAALO Cc1nonc1N1CC[NH+](Cc2cn(C)nc2-c2ccccc2F)CC1 ZINC000055108767 211937713 /nfs/dbraw/zinc/93/77/13/211937713.db2.gz XBKKLXQCXGJLFI-UHFFFAOYSA-N 1 2 356.405 2.240 50 0 FEAALO CC(C)N1C(=O)C(=O)N(C[N@H+](C)Cc2ccc(Br)cc2)C1=O ZINC000023641252 211392769 /nfs/dbraw/zinc/39/27/69/211392769.db2.gz IBDAAWRWFRYWOC-UHFFFAOYSA-N 1 2 368.231 2.038 50 0 FEAALO CC(C)N1C(=O)C(=O)N(C[N@@H+](C)Cc2ccc(Br)cc2)C1=O ZINC000023641252 211392773 /nfs/dbraw/zinc/39/27/73/211392773.db2.gz IBDAAWRWFRYWOC-UHFFFAOYSA-N 1 2 368.231 2.038 50 0 FEAALO Cc1nc(CN2CC[NH+](Cc3cc(=O)n4cccc(C)c4n3)CC2)cs1 ZINC000022924546 211369498 /nfs/dbraw/zinc/36/94/98/211369498.db2.gz ROLHGPDVRSGTHP-UHFFFAOYSA-N 1 2 369.494 2.086 50 0 FEAALO C[C@@H]1C[NH+](C(C)(C)CNS(=O)(=O)/C=C/c2ccccc2)C[C@@H](C)O1 ZINC000021870007 211328181 /nfs/dbraw/zinc/32/81/81/211328181.db2.gz LQHXOQCTDUYPBU-NUPWCOBBSA-N 1 2 352.500 2.465 50 0 FEAALO Fc1cc(F)cc(-c2noc3ncnc(NCC[NH+]4CCOCC4)c32)c1 ZINC000021714822 211321494 /nfs/dbraw/zinc/32/14/94/211321494.db2.gz WWBYNUPJTRKBAV-UHFFFAOYSA-N 1 2 361.352 2.307 50 0 FEAALO COc1ccc(Cn2c(=O)[nH]c(=O)c3c2NC[N@@H+](C2CCCCC2)C3)cc1 ZINC000020573343 211288367 /nfs/dbraw/zinc/28/83/67/211288367.db2.gz QIWBOQYUSXHNJH-UHFFFAOYSA-N 1 2 370.453 2.111 50 0 FEAALO COc1ccc(Cn2c(=O)[nH]c(=O)c3c2NC[N@H+](C2CCCCC2)C3)cc1 ZINC000020573343 211288372 /nfs/dbraw/zinc/28/83/72/211288372.db2.gz QIWBOQYUSXHNJH-UHFFFAOYSA-N 1 2 370.453 2.111 50 0 FEAALO O=C(c1cccnc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020436577 211278395 /nfs/dbraw/zinc/27/83/95/211278395.db2.gz FMBWSAMRWYXTHY-UHFFFAOYSA-N 1 2 359.813 2.422 50 0 FEAALO CN1CC[NH+]([C@@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000020441743 211279150 /nfs/dbraw/zinc/27/91/50/211279150.db2.gz ODZGWRYCXWERTP-DLBZAZTESA-N 1 2 371.934 2.177 50 0 FEAALO COc1ccc(-n2ccnc2C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)cc1 ZINC000020166823 211270149 /nfs/dbraw/zinc/27/01/49/211270149.db2.gz LPFLNRBEEPJAKH-GOSISDBHSA-N 1 2 356.470 2.178 50 0 FEAALO COc1ccc(-n2ccnc2C[N@H+]2CCC[C@@H](N3CCOCC3)C2)cc1 ZINC000020166823 211270154 /nfs/dbraw/zinc/27/01/54/211270154.db2.gz LPFLNRBEEPJAKH-GOSISDBHSA-N 1 2 356.470 2.178 50 0 FEAALO COCCN1C[NH+]=C2N[C@H](c3cccs3)n3c4ccccc4nc3N2C1 ZINC000020102199 211268526 /nfs/dbraw/zinc/26/85/26/211268526.db2.gz QPWRYHSYGPBDNU-INIZCTEOSA-N 1 2 368.466 2.287 50 0 FEAALO O=C1c2ccccc2C(=O)N1CN1CC[NH+](Cc2ccccc2F)CC1 ZINC000020045306 211265456 /nfs/dbraw/zinc/26/54/56/211265456.db2.gz UJXYUOFVXWRRIN-UHFFFAOYSA-N 1 2 353.397 2.197 50 0 FEAALO O=C1CS[C@@H](c2cccc(Br)c2)N1CC[NH+]1CCOCC1 ZINC000019898644 211261233 /nfs/dbraw/zinc/26/12/33/211261233.db2.gz YOOYFGXHSWKASC-HNNXBMFYSA-N 1 2 371.300 2.355 50 0 FEAALO Cc1ccc(Nc2nc(NCC[NH+]3CCOCC3)nc3c2cnn3C)cc1 ZINC000017042489 211174748 /nfs/dbraw/zinc/17/47/48/211174748.db2.gz RQVYAWNUNISDKO-UHFFFAOYSA-N 1 2 367.457 2.159 50 0 FEAALO COc1cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc(OC)c1OC ZINC000016916161 211171676 /nfs/dbraw/zinc/17/16/76/211171676.db2.gz VDKNDEAGBQGHTL-UHFFFAOYSA-N 1 2 363.439 2.409 50 0 FEAALO COc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc(OC)c1OC ZINC000016916161 211171680 /nfs/dbraw/zinc/17/16/80/211171680.db2.gz VDKNDEAGBQGHTL-UHFFFAOYSA-N 1 2 363.439 2.409 50 0 FEAALO Cc1cccn2cc(COC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)[nH+]c12 ZINC000016209932 211156526 /nfs/dbraw/zinc/15/65/26/211156526.db2.gz DUYLBNYFRXKHLQ-UHFFFAOYSA-N 1 2 373.434 2.250 50 0 FEAALO COc1cc(NC(=O)C[N@H+](C)Cc2cnn(C)c2)c(OC)cc1Cl ZINC000014191743 211083641 /nfs/dbraw/zinc/08/36/41/211083641.db2.gz CSDDLXTZVSUBAT-UHFFFAOYSA-N 1 2 352.822 2.161 50 0 FEAALO COc1cc(NC(=O)C[N@@H+](C)Cc2cnn(C)c2)c(OC)cc1Cl ZINC000014191743 211083648 /nfs/dbraw/zinc/08/36/48/211083648.db2.gz CSDDLXTZVSUBAT-UHFFFAOYSA-N 1 2 352.822 2.161 50 0 FEAALO Cn1c(=O)c2c(n(C)c1=O)[NH+]=C1CCCCCN1[C@H]2c1cccc(F)c1 ZINC000012892901 211003610 /nfs/dbraw/zinc/00/36/10/211003610.db2.gz KEMAUKMRODVLAE-INIZCTEOSA-N 1 2 356.401 2.232 50 0 FEAALO Cn1c(C[NH+]2CCCCC2)nnc1C1CCN(C(=O)N2CCCC2)CC1 ZINC000077288069 542362782 /nfs/dbraw/zinc/36/27/82/542362782.db2.gz UTLBAHWNRNCLBU-UHFFFAOYSA-N 1 2 360.506 2.196 50 0 FEAALO CNc1nc(C)c(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)s1 ZINC000077301866 542364137 /nfs/dbraw/zinc/36/41/37/542364137.db2.gz CBTUQOHKZHRBOJ-UHFFFAOYSA-N 1 2 360.483 2.330 50 0 FEAALO Cn1c(C[NH+](C)C)nnc1C1CCN(c2noc(-c3ccccc3)n2)CC1 ZINC000077391122 542377199 /nfs/dbraw/zinc/37/71/99/542377199.db2.gz OFMSKTDYXHIRNI-UHFFFAOYSA-N 1 2 367.457 2.311 50 0 FEAALO c1ncn(CC[NH+]2CCN(Cc3nc(-c4ccccc4)cs3)CC2)n1 ZINC000077356733 542371951 /nfs/dbraw/zinc/37/19/51/542371951.db2.gz MPQAYZISMYNTNP-UHFFFAOYSA-N 1 2 354.483 2.219 50 0 FEAALO O=C(c1ccccn1)N1CCC(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000077455952 542384391 /nfs/dbraw/zinc/38/43/91/542384391.db2.gz IXLGVWQMNKTUQZ-INIZCTEOSA-N 1 2 367.453 2.063 50 0 FEAALO O=C(c1scc2c1OCCO2)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000077472138 542385877 /nfs/dbraw/zinc/38/58/77/542385877.db2.gz HXSODPSGHUBTAM-UHFFFAOYSA-N 1 2 359.451 2.262 50 0 FEAALO O=C(c1scc2c1OCCO2)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000077472138 542385881 /nfs/dbraw/zinc/38/58/81/542385881.db2.gz HXSODPSGHUBTAM-UHFFFAOYSA-N 1 2 359.451 2.262 50 0 FEAALO C/C=C/c1ccc(OC[C@@H](O)C[NH+]2CCN(C(=O)C3CC3)CC2)c(OC)c1 ZINC000048286835 221005066 /nfs/dbraw/zinc/00/50/66/221005066.db2.gz JGIGPNHQYHQOFP-WHLIDYPQSA-N 1 2 374.481 2.022 50 0 FEAALO Cc1noc(C2C[NH+](CC(=O)N3CCC(Cc4ccccc4)CC3)C2)n1 ZINC000049482555 221023131 /nfs/dbraw/zinc/02/31/31/221023131.db2.gz IBRVFHRDBZBNSA-UHFFFAOYSA-N 1 2 354.454 2.259 50 0 FEAALO Cc1ccccc1-n1cc(C[NH+]2CCN(c3ncc(C)c(N)n3)CC2)cn1 ZINC000065433380 221219002 /nfs/dbraw/zinc/21/90/02/221219002.db2.gz NKWXNJTZXHGDMT-UHFFFAOYSA-N 1 2 363.469 2.184 50 0 FEAALO COc1ccc(F)c(C[NH+]2CCC(NS(C)(=O)=O)CC2)c1Cl ZINC000065526682 221229708 /nfs/dbraw/zinc/22/97/08/221229708.db2.gz 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O=S(=O)(c1cccc2nsnc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019607220 220281079 /nfs/dbraw/zinc/28/10/79/220281079.db2.gz XGHGBZRMVNHXSR-UHFFFAOYSA-N 1 2 374.491 2.198 50 0 FEAALO COc1cc2nc(Cl)nc(NCC[NH+]3CCOCC3)c2cc1OC ZINC000019862339 220301827 /nfs/dbraw/zinc/30/18/27/220301827.db2.gz FWFIEHWLQUDVMZ-UHFFFAOYSA-N 1 2 352.822 2.045 50 0 FEAALO O=S(=O)(c1cc(F)ccc1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020522590 220331439 /nfs/dbraw/zinc/33/14/39/220331439.db2.gz ABSRHKMMEQDNIL-UHFFFAOYSA-N 1 2 352.406 2.471 50 0 FEAALO CCCc1cc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)n(C)n1 ZINC000077489248 542388494 /nfs/dbraw/zinc/38/84/94/542388494.db2.gz UVGMBBKPGZSMAS-UHFFFAOYSA-N 1 2 370.453 2.059 50 0 FEAALO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cc(=O)c3ccccc3o2)C[C@H](C)O1 ZINC000021056236 220351159 /nfs/dbraw/zinc/35/11/59/220351159.db2.gz PGMQMFMKOAWWLW-KBPBESRZSA-N 1 2 358.438 2.411 50 0 FEAALO COc1cc2nc(C[N@H+](C)[C@@H]3CCOC3)nc(N3CCCC3)c2cc1OC ZINC000299755973 533176182 /nfs/dbraw/zinc/17/61/82/533176182.db2.gz 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ZINC000040017923 540003670 /nfs/dbraw/zinc/00/36/70/540003670.db2.gz CXJQNJXOQTVAOM-LJQANCHMSA-N 1 2 373.497 2.061 50 0 FEAALO O=C(c1cccc(N2CCNC2=O)c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000040105413 540006437 /nfs/dbraw/zinc/00/64/37/540006437.db2.gz ILLDRLPTPAAHGP-UHFFFAOYSA-N 1 2 370.478 2.236 50 0 FEAALO C[NH+](C)[C@@H](CNC(=O)CCS(=O)(=O)C1CCCC1)c1ccsc1 ZINC000040120909 540007068 /nfs/dbraw/zinc/00/70/68/540007068.db2.gz JMAJYKGFPXMXJY-HNNXBMFYSA-N 1 2 358.529 2.215 50 0 FEAALO O=C(CCCNC(=O)C1CC1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000040122112 540007558 /nfs/dbraw/zinc/00/75/58/540007558.db2.gz YDFYUOBNQWFNCT-UHFFFAOYSA-N 1 2 358.486 2.385 50 0 FEAALO C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000040154800 540007790 /nfs/dbraw/zinc/00/77/90/540007790.db2.gz APWYDIATIZEPDW-CQSZACIVSA-N 1 2 356.426 2.100 50 0 FEAALO COC[C@H](NC(=O)Cn1c2ccccc2[nH+]c1C(C)C)c1ccnn1C ZINC000243893602 222923551 /nfs/dbraw/zinc/92/35/51/222923551.db2.gz ASSBCJLIELJITD-HNNXBMFYSA-N 1 2 355.442 2.397 50 0 FEAALO CC(C)n1cnnc1SCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000041770210 540032629 /nfs/dbraw/zinc/03/26/29/540032629.db2.gz FOZSBHBADUIMNV-UHFFFAOYSA-N 1 2 359.499 2.296 50 0 FEAALO CCOC(=O)N1CC[NH+](Cc2ccc(OCc3nccn3C)cc2)CC1 ZINC000042743394 540076828 /nfs/dbraw/zinc/07/68/28/540076828.db2.gz XUYXTTVVXGQZEW-UHFFFAOYSA-N 1 2 358.442 2.273 50 0 FEAALO O=C(CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)NC1CC1 ZINC000007318293 219800970 /nfs/dbraw/zinc/80/09/70/219800970.db2.gz RHVZGZHZIDURHO-UHFFFAOYSA-N 1 2 357.483 2.234 50 0 FEAALO Cc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCC1=CCCCC1 ZINC000299757724 223081553 /nfs/dbraw/zinc/08/15/53/223081553.db2.gz AOKOGYDWZKJTCA-LJQANCHMSA-N 1 2 355.482 2.302 50 0 FEAALO Cc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(=O)NCC1=CCCCC1 ZINC000299757724 223081554 /nfs/dbraw/zinc/08/15/54/223081554.db2.gz AOKOGYDWZKJTCA-LJQANCHMSA-N 1 2 355.482 2.302 50 0 FEAALO O=C(N[C@H]1CC(=O)N(c2ccccc2Cl)C1)C1(Cn2cc[nH+]c2)CC1 ZINC000299773796 223090949 /nfs/dbraw/zinc/09/09/49/223090949.db2.gz DYZFCYKHECOXPA-ZDUSSCGKSA-N 1 2 358.829 2.238 50 0 FEAALO CCC[N@H+](CC(=O)NC(=O)NCC(C)C)[C@H](C)C(=O)Nc1ccccc1 ZINC000069951106 541725947 /nfs/dbraw/zinc/72/59/47/541725947.db2.gz UHRUBNHHHLPWBZ-OAHLLOKOSA-N 1 2 362.474 2.207 50 0 FEAALO CCC[N@@H+](CC(=O)NC(=O)NCC(C)C)[C@H](C)C(=O)Nc1ccccc1 ZINC000069951106 541725952 /nfs/dbraw/zinc/72/59/52/541725952.db2.gz UHRUBNHHHLPWBZ-OAHLLOKOSA-N 1 2 362.474 2.207 50 0 FEAALO O=C(c1ccc2[nH]nnc2c1)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072164321 541793302 /nfs/dbraw/zinc/79/33/02/541793302.db2.gz SZHPNRSRZJIFFC-SFHVURJKSA-N 1 2 361.449 2.273 50 0 FEAALO COc1ccc(NC(=O)[C@@H](C)N2CCN(C3=[NH+]C[C@H](C)S3)CC2)cc1 ZINC000072312016 541798740 /nfs/dbraw/zinc/79/87/40/541798740.db2.gz QZAJUCFHXWSPDQ-UONOGXRCSA-N 1 2 362.499 2.131 50 0 FEAALO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccncc2)C[C@@H]1CCO ZINC000072433205 541813320 /nfs/dbraw/zinc/81/33/20/541813320.db2.gz VITKHDCAPCWLFQ-IBGZPJMESA-N 1 2 369.465 2.189 50 0 FEAALO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccncc2)C[C@@H]1CCO ZINC000072433205 541813321 /nfs/dbraw/zinc/81/33/21/541813321.db2.gz VITKHDCAPCWLFQ-IBGZPJMESA-N 1 2 369.465 2.189 50 0 FEAALO Cn1cc[nH+]c1CN1CCN(C(=O)c2ccc(CCC(C)(C)O)cc2)CC1 ZINC000072427788 541811330 /nfs/dbraw/zinc/81/13/30/541811330.db2.gz GIFNBBINFWJOQP-UHFFFAOYSA-N 1 2 370.497 2.082 50 0 FEAALO Cn1cnc2cc(C(=O)N3CC[NH+](Cc4cccc(F)c4)CC3)cnc21 ZINC000072463514 541817589 /nfs/dbraw/zinc/81/75/89/541817589.db2.gz PPBZBNRDGSQTNO-UHFFFAOYSA-N 1 2 353.401 2.065 50 0 FEAALO CCCc1cc(C(=O)N2CCC[C@H](c3nnc(C[NH+](C)C)n3C)C2)ccn1 ZINC000072463582 541817850 /nfs/dbraw/zinc/81/78/50/541817850.db2.gz CXNFNJBCMKTYOP-INIZCTEOSA-N 1 2 370.501 2.244 50 0 FEAALO COc1ccc(C(=O)NCCc2cn3ccccc3[nH+]2)c(OC)c1OC ZINC000012666425 220016238 /nfs/dbraw/zinc/01/62/38/220016238.db2.gz MMHPNOWGKACDPL-UHFFFAOYSA-N 1 2 355.394 2.333 50 0 FEAALO Cc1ccc(C)c(NC(=O)C[N@@H+](C)[C@@H](C)C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000012889047 220039259 /nfs/dbraw/zinc/03/92/59/220039259.db2.gz AUVZMQOPUIVCFP-BBWFWOEESA-N 1 2 361.486 2.198 50 0 FEAALO Cc1ccc(C)c(NC(=O)C[N@H+](C)[C@@H](C)C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000012889047 220039261 /nfs/dbraw/zinc/03/92/61/220039261.db2.gz AUVZMQOPUIVCFP-BBWFWOEESA-N 1 2 361.486 2.198 50 0 FEAALO COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000013146723 220059399 /nfs/dbraw/zinc/05/93/99/220059399.db2.gz PETTUSLHKJQRDZ-XQQFMLRXSA-N 1 2 359.426 2.391 50 0 FEAALO COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000013146723 220059404 /nfs/dbraw/zinc/05/94/04/220059404.db2.gz PETTUSLHKJQRDZ-XQQFMLRXSA-N 1 2 359.426 2.391 50 0 FEAALO COCCNC(=O)c1cccc(OC2CC[NH+](Cc3ccon3)CC2)c1 ZINC000014964650 220137702 /nfs/dbraw/zinc/13/77/02/220137702.db2.gz ZNTHVHQHNKVPEX-UHFFFAOYSA-N 1 2 359.426 2.094 50 0 FEAALO COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016012919 220174485 /nfs/dbraw/zinc/17/44/85/220174485.db2.gz BLGPLBYDOVDAHJ-MANSERQUSA-N 1 2 374.396 2.375 50 0 FEAALO COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016012919 220174487 /nfs/dbraw/zinc/17/44/87/220174487.db2.gz BLGPLBYDOVDAHJ-MANSERQUSA-N 1 2 374.396 2.375 50 0 FEAALO O=C(c1ccc2c(c1)OCCO2)C1CC[NH+](CN2C(=O)[C@H]3CCC[C@H]32)CC1 ZINC000075148702 542155571 /nfs/dbraw/zinc/15/55/71/542155571.db2.gz GTIPSEZLQNBSLM-DLBZAZTESA-N 1 2 370.449 2.321 50 0 FEAALO Cc1ccn(-c2cc(NCCNC(=O)c3ccc(C)cc3C)[nH+]cn2)n1 ZINC000077134187 542346873 /nfs/dbraw/zinc/34/68/73/542346873.db2.gz CGVUQHJCDMCIEW-UHFFFAOYSA-N 1 2 350.426 2.429 50 0 FEAALO O=C(c1ccc2c(c1)ncn2CCO)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000077338581 542368807 /nfs/dbraw/zinc/36/88/07/542368807.db2.gz LEFVBDSBRILKDV-KRWDZBQOSA-N 1 2 367.453 2.310 50 0 FEAALO COc1ccccc1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019809121 220299667 /nfs/dbraw/zinc/29/96/67/220299667.db2.gz OJTYWARUNJZXRJ-UHFFFAOYSA-N 1 2 354.406 2.382 50 0 FEAALO O=c1[nH]c(=O)n(Cc2ccccc2)c2c1C[N@@H+](CCc1ccccc1)CN2 ZINC000019938923 220306964 /nfs/dbraw/zinc/30/69/64/220306964.db2.gz ISEODWOSWJWOKT-UHFFFAOYSA-N 1 2 362.433 2.013 50 0 FEAALO O=c1[nH]c(=O)n(Cc2ccccc2)c2c1C[N@H+](CCc1ccccc1)CN2 ZINC000019938923 220306968 /nfs/dbraw/zinc/30/69/68/220306968.db2.gz ISEODWOSWJWOKT-UHFFFAOYSA-N 1 2 362.433 2.013 50 0 FEAALO Cc1c(C)n(-c2ccccn2)c2ncnc(NCC[NH+]3CCOCC3)c12 ZINC000020547229 220332771 /nfs/dbraw/zinc/33/27/71/220332771.db2.gz HIYCQICAMVBWFV-UHFFFAOYSA-N 1 2 352.442 2.176 50 0 FEAALO CCOC(=O)C1C(C[NH+]2CCCCC2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020557934 220333839 /nfs/dbraw/zinc/33/38/39/220333839.db2.gz LSGUPUUFIXWZKF-QGZVFWFLSA-N 1 2 361.417 2.483 50 0 FEAALO O=c1c(C[NH+]2CCOCC2)cc2ccc(F)cc2n1Cc1ccncc1 ZINC000020599790 220335086 /nfs/dbraw/zinc/33/50/86/220335086.db2.gz OMOUNLAYDFNQSR-UHFFFAOYSA-N 1 2 353.397 2.416 50 0 FEAALO O=C(NCC[NH+]1CCOCC1)c1ccc2nc(-n3cccc3)sc2c1 ZINC000020650484 220338012 /nfs/dbraw/zinc/33/80/12/220338012.db2.gz HDCWPXVOZFMIFF-UHFFFAOYSA-N 1 2 356.451 2.149 50 0 FEAALO Cn1c(C[NH+]2CCCCC2)nnc1C1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000077405964 542378584 /nfs/dbraw/zinc/37/85/84/542378584.db2.gz ARCLDJFOFQUABK-UHFFFAOYSA-N 1 2 356.474 2.149 50 0 FEAALO Cc1cc2oc(=O)cc(C[N@@H+](C)[C@@H]3CCS(=O)(=O)C3)c2cc1Cl ZINC000020679348 220338771 /nfs/dbraw/zinc/33/87/71/220338771.db2.gz BAUWZKPBJIHCOW-GFCCVEGCSA-N 1 2 355.843 2.374 50 0 FEAALO Cc1cc2oc(=O)cc(C[N@H+](C)[C@@H]3CCS(=O)(=O)C3)c2cc1Cl ZINC000020679348 220338773 /nfs/dbraw/zinc/33/87/73/220338773.db2.gz BAUWZKPBJIHCOW-GFCCVEGCSA-N 1 2 355.843 2.374 50 0 FEAALO O=C(c1n[nH]c(=O)c2ccccc21)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000021865943 220369193 /nfs/dbraw/zinc/36/91/93/220369193.db2.gz PXSQPAMTIHNWQU-RMKNXTFCSA-N 1 2 374.444 2.394 50 0 FEAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccc(F)cc1)N1CC[NH+](C)CC1)S2 ZINC000022458961 220386876 /nfs/dbraw/zinc/38/68/76/220386876.db2.gz UTNSYSHBCDRBIQ-AWEZNQCLSA-N 1 2 361.446 2.281 50 0 FEAALO CCCCc1cc(=O)[nH]c(-c2ccc(C[N@@H+]3CCN(C)C(=O)C3)cc2)n1 ZINC000048428184 221011971 /nfs/dbraw/zinc/01/19/71/221011971.db2.gz WZNFKMAJHFXVLI-UHFFFAOYSA-N 1 2 354.454 2.054 50 0 FEAALO CCCCc1cc(=O)[nH]c(-c2ccc(C[N@H+]3CCN(C)C(=O)C3)cc2)n1 ZINC000048428184 221011975 /nfs/dbraw/zinc/01/19/75/221011975.db2.gz WZNFKMAJHFXVLI-UHFFFAOYSA-N 1 2 354.454 2.054 50 0 FEAALO C[C@@H](NC(=O)Cn1c2ccccc2[nH+]c1NCCO)c1ccc(F)cc1 ZINC000049874859 221028338 /nfs/dbraw/zinc/02/83/38/221028338.db2.gz ATDNFOFJTYJWNY-CYBMUJFWSA-N 1 2 356.401 2.457 50 0 FEAALO COc1cc(Cl)ccc1OCc1cc(C(=O)N2CC[NH+](C)CC2)no1 ZINC000055042594 221057850 /nfs/dbraw/zinc/05/78/50/221057850.db2.gz JCALHPHGAKGYKV-UHFFFAOYSA-N 1 2 365.817 2.303 50 0 FEAALO Cc1nn(C)c(Cl)c1CN(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000055134144 221060316 /nfs/dbraw/zinc/06/03/16/221060316.db2.gz WRNCUCSNSYENEB-UHFFFAOYSA-N 1 2 352.866 2.309 50 0 FEAALO OCC[C@H]1C[N@H+](Cc2ccc(-c3cc[nH]n3)o2)CCN1Cc1ccco1 ZINC000055282179 221064940 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CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)COc1ccc(C)cc1 ZINC000057386074 221088016 /nfs/dbraw/zinc/08/80/16/221088016.db2.gz GCYAJCHUUJWDJM-INIZCTEOSA-N 1 2 367.449 2.493 50 0 FEAALO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)COc1ccc(C)cc1 ZINC000057386074 221088018 /nfs/dbraw/zinc/08/80/18/221088018.db2.gz GCYAJCHUUJWDJM-INIZCTEOSA-N 1 2 367.449 2.493 50 0 FEAALO COc1cccc(N2CC[N@H+](C3CCN(C(=O)C4CC4)CC3)[C@@H](C)C2=O)c1 ZINC000067755610 221280769 /nfs/dbraw/zinc/28/07/69/221280769.db2.gz LPOZTGZRKUGYKX-HNNXBMFYSA-N 1 2 371.481 2.133 50 0 FEAALO COc1cccc(N2CC[N@@H+](C3CCN(C(=O)C4CC4)CC3)[C@@H](C)C2=O)c1 ZINC000067755610 221280773 /nfs/dbraw/zinc/28/07/73/221280773.db2.gz LPOZTGZRKUGYKX-HNNXBMFYSA-N 1 2 371.481 2.133 50 0 FEAALO COc1ccc(OCc2nc(C(=O)NCc3ccc[nH+]c3N)co2)cc1 ZINC000067855555 221295763 /nfs/dbraw/zinc/29/57/63/221295763.db2.gz WLVSXHUSAFCMMA-UHFFFAOYSA-N 1 2 354.366 2.169 50 0 FEAALO O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(C[NH+]2CCC(O)CC2)on1 ZINC000067982978 221311630 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O=C(Cc1cccc(F)c1)N1CCC[N@@H+](Cc2cn3cccnc3n2)CC1 ZINC000178032680 546726117 /nfs/dbraw/zinc/72/61/17/546726117.db2.gz OIJNFUANEJJAQS-UHFFFAOYSA-N 1 2 367.428 2.145 50 0 FEAALO O=C(NCC1(CCO)CC1)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000187075927 548250753 /nfs/dbraw/zinc/25/07/53/548250753.db2.gz DJJWVYXTOZRSHG-AWEZNQCLSA-N 1 2 367.440 2.391 50 0 FEAALO O=C(NCC1(CCO)CC1)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000187075927 548250755 /nfs/dbraw/zinc/25/07/55/548250755.db2.gz DJJWVYXTOZRSHG-AWEZNQCLSA-N 1 2 367.440 2.391 50 0 FEAALO O=C(c1cn(-c2cccc(Cl)c2)nn1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188153909 548272721 /nfs/dbraw/zinc/27/27/21/548272721.db2.gz IUQFWBWVMXQKEL-OAHLLOKOSA-N 1 2 356.817 2.422 50 0 FEAALO CC(=O)N1CCc2cc(C(=O)N3CC[NH+](Cc4ccco4)CC3)ccc21 ZINC000198428018 548661073 /nfs/dbraw/zinc/66/10/73/548661073.db2.gz NQNQFZRLJJUVOI-UHFFFAOYSA-N 1 2 353.422 2.147 50 0 FEAALO CN1C[C@]2(CC[N@H+](Cc3sc(N4CCCC4)nc3Cl)C2)OC1=O ZINC000215598132 548672767 /nfs/dbraw/zinc/67/27/67/548672767.db2.gz BDVNDOJXEFRVDX-HNNXBMFYSA-N 1 2 356.879 2.423 50 0 FEAALO CN1C[C@]2(CC[N@@H+](Cc3sc(N4CCCC4)nc3Cl)C2)OC1=O ZINC000215598132 548672773 /nfs/dbraw/zinc/67/27/73/548672773.db2.gz BDVNDOJXEFRVDX-HNNXBMFYSA-N 1 2 356.879 2.423 50 0 FEAALO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(Sc4nncn4C)o3)C2)n[nH]1 ZINC000216317922 548677082 /nfs/dbraw/zinc/67/70/82/548677082.db2.gz TZGVAINFKUFTSR-LBPRGKRZSA-N 1 2 359.459 2.365 50 0 FEAALO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(Sc4nncn4C)o3)C2)n[nH]1 ZINC000216317922 548677086 /nfs/dbraw/zinc/67/70/86/548677086.db2.gz TZGVAINFKUFTSR-LBPRGKRZSA-N 1 2 359.459 2.365 50 0 FEAALO C[N@H+](CC(=O)NCc1c[nH]nc1-c1ccc(F)cc1)Cc1cccnc1 ZINC000218969656 548691912 /nfs/dbraw/zinc/69/19/12/548691912.db2.gz DHKIAXKIAAMCJG-UHFFFAOYSA-N 1 2 353.401 2.359 50 0 FEAALO C[N@@H+](CC(=O)NCc1c[nH]nc1-c1ccc(F)cc1)Cc1cccnc1 ZINC000218969656 548691915 /nfs/dbraw/zinc/69/19/15/548691915.db2.gz DHKIAXKIAAMCJG-UHFFFAOYSA-N 1 2 353.401 2.359 50 0 FEAALO Cc1nc(CNC(=O)C[N@@H+]2CCOc3ccccc3C2)nc2c1CCCC2 ZINC000220012655 548697402 /nfs/dbraw/zinc/69/74/02/548697402.db2.gz RUYDPSRAVHPSSJ-UHFFFAOYSA-N 1 2 366.465 2.175 50 0 FEAALO Cc1nc(CNC(=O)C[N@H+]2CCOc3ccccc3C2)nc2c1CCCC2 ZINC000220012655 548697406 /nfs/dbraw/zinc/69/74/06/548697406.db2.gz RUYDPSRAVHPSSJ-UHFFFAOYSA-N 1 2 366.465 2.175 50 0 FEAALO Cc1[nH]c2ccc(CNC(=O)CCNC(=O)c3ccc(F)cc3)cc2[nH+]1 ZINC000220148459 548698615 /nfs/dbraw/zinc/69/86/15/548698615.db2.gz YKJKMXHSPXXTKQ-UHFFFAOYSA-N 1 2 354.385 2.447 50 0 FEAALO Cc1[nH]c2cc(CNC(=O)CCNC(=O)c3ccc(F)cc3)ccc2[nH+]1 ZINC000220148459 548698620 /nfs/dbraw/zinc/69/86/20/548698620.db2.gz YKJKMXHSPXXTKQ-UHFFFAOYSA-N 1 2 354.385 2.447 50 0 FEAALO C[N@H+](CC(=O)N[C@@H]1[C@@H](Cc2ccccc2)[C@H]2OCC[C@@H]12)Cc1cccnc1 ZINC000222370563 548708137 /nfs/dbraw/zinc/70/81/37/548708137.db2.gz AJPDOFUCYRRMHR-MXNKGDRCSA-N 1 2 365.477 2.276 50 0 FEAALO C[N@@H+](CC(=O)N[C@@H]1[C@@H](Cc2ccccc2)[C@H]2OCC[C@@H]12)Cc1cccnc1 ZINC000222370563 548708144 /nfs/dbraw/zinc/70/81/44/548708144.db2.gz AJPDOFUCYRRMHR-MXNKGDRCSA-N 1 2 365.477 2.276 50 0 FEAALO COC[C@@H]1[C@H](NC(=O)Cn2c3ccccc3[nH+]c2C2CC2)[C@@H]2CCO[C@H]12 ZINC000223632296 548722173 /nfs/dbraw/zinc/72/21/73/548722173.db2.gz MCQQUXHSMBTOMA-RAKLQZGLSA-N 1 2 355.438 2.080 50 0 FEAALO CS(=O)(=O)c1ccc2ncnc(N[C@@H]3CCN(c4cccc[nH+]4)C3)c2c1 ZINC000252494034 549669088 /nfs/dbraw/zinc/66/90/88/549669088.db2.gz NIZBULXMROVRBY-CYBMUJFWSA-N 1 2 369.450 2.119 50 0 FEAALO COC[C@@H]1CC(F)(F)C[N@@H+]1C1CCN(C(=O)c2ncccc2C)CC1 ZINC000257187881 549713252 /nfs/dbraw/zinc/71/32/52/549713252.db2.gz CQJIOIJBJBCGIK-HNNXBMFYSA-N 1 2 353.413 2.351 50 0 FEAALO COC[C@@H]1CC(F)(F)C[N@H+]1C1CCN(C(=O)c2ncccc2C)CC1 ZINC000257187881 549713255 /nfs/dbraw/zinc/71/32/55/549713255.db2.gz CQJIOIJBJBCGIK-HNNXBMFYSA-N 1 2 353.413 2.351 50 0 FEAALO Cc1c[nH+]c([C@H]2CCCO2)n1CC1CCN(C(=O)c2cncn2C)CC1 ZINC000257189266 549714397 /nfs/dbraw/zinc/71/43/97/549714397.db2.gz IBYQWTOPIPADCW-QGZVFWFLSA-N 1 2 357.458 2.329 50 0 FEAALO CN(Cc1c[nH]nc1-c1ccccc1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000426487313 559735564 /nfs/dbraw/zinc/73/55/64/559735564.db2.gz IGOJWRXWFYOAAQ-UHFFFAOYSA-N 1 2 371.485 2.329 50 0 FEAALO Cc1cc(C)n(-c2cccc(-c3cc(N)nc(N4CCOCC4)[nH+]3)c2)n1 ZINC000426489647 559735710 /nfs/dbraw/zinc/73/57/10/559735710.db2.gz OIJGOCKJZIGHHZ-UHFFFAOYSA-N 1 2 350.426 2.365 50 0 FEAALO Cc1nc(CNC(=O)N2CCC[C@@H](Cn3cc[nH+]c3)C2)nc2c1CCCC2 ZINC000426514931 559736485 /nfs/dbraw/zinc/73/64/85/559736485.db2.gz YJNWSYYNCQSUMY-INIZCTEOSA-N 1 2 368.485 2.482 50 0 FEAALO CCc1noc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccccc3OC)CC2)n1 ZINC000426563518 559737815 /nfs/dbraw/zinc/73/78/15/559737815.db2.gz SVUMNGRQGCKAHJ-CQSZACIVSA-N 1 2 373.457 2.229 50 0 FEAALO O=C(NCC1(Cn2cc[nH+]c2)CC1)N1CCC(OCc2cccnc2)CC1 ZINC000534581182 562537289 /nfs/dbraw/zinc/53/72/89/562537289.db2.gz RUFHBCIARVCMPJ-UHFFFAOYSA-N 1 2 369.469 2.449 50 0 FEAALO Cc1c[nH]c([C@@H](C)NC(=O)N2CCN(c3nc4ccccc4o3)CC2)[nH+]1 ZINC000534632966 562538662 /nfs/dbraw/zinc/53/86/62/562538662.db2.gz XECFUVGKLOOYMD-CYBMUJFWSA-N 1 2 354.414 2.452 50 0 FEAALO Cc1ccc(CN2CC[N@H+](Cc3ccc4c(c3)OCCO4)C[C@H]2CCO)o1 ZINC000106946145 570894180 /nfs/dbraw/zinc/89/41/80/570894180.db2.gz UKWRHPDGYZRXBK-GOSISDBHSA-N 1 2 372.465 2.428 50 0 FEAALO Cc1ccc(CN2CC[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@H]2CCO)o1 ZINC000106946145 570894182 /nfs/dbraw/zinc/89/41/82/570894182.db2.gz UKWRHPDGYZRXBK-GOSISDBHSA-N 1 2 372.465 2.428 50 0 FEAALO O=C(NCCC1=CCCCC1)C1CN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000575605004 571163436 /nfs/dbraw/zinc/16/34/36/571163436.db2.gz KBYWPUMUWJUGSP-UHFFFAOYSA-N 1 2 352.442 2.105 50 0 FEAALO Cc1ccc(F)c(CNC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)c1F ZINC000426412519 571221938 /nfs/dbraw/zinc/22/19/38/571221938.db2.gz WWCXSLJYKSCONH-UHFFFAOYSA-N 1 2 363.412 2.034 50 0 FEAALO CSc1ncc(CNC(=O)N2CCCC[C@@H]2CCn2cc[nH+]c2)n1C ZINC000584891595 571314739 /nfs/dbraw/zinc/31/47/39/571314739.db2.gz RFVQPOQAAJSQPJ-CQSZACIVSA-N 1 2 362.503 2.493 50 0 FEAALO CC[C@H](NC(=O)c1nccnc1C(=O)N1CCCCC1)c1[nH]cc(C)[nH+]1 ZINC000670457856 571355250 /nfs/dbraw/zinc/35/52/50/571355250.db2.gz DFRNWQDWDJGOFF-ZDUSSCGKSA-N 1 2 356.430 2.015 50 0 FEAALO Cc1noc([C@H]2CC[N@H+](Cc3scnc3C)C[C@H]2NC(=O)C2CC2)n1 ZINC000169782862 672322165 /nfs/dbraw/zinc/32/21/65/672322165.db2.gz PWKHBOHAGVMNOK-UONOGXRCSA-N 1 2 361.471 2.027 50 0 FEAALO Cc1noc([C@H]2CC[N@@H+](Cc3scnc3C)C[C@H]2NC(=O)C2CC2)n1 ZINC000169782862 672322168 /nfs/dbraw/zinc/32/21/68/672322168.db2.gz PWKHBOHAGVMNOK-UONOGXRCSA-N 1 2 361.471 2.027 50 0 FEAALO COc1c2c(cc3c1[C@H](c1nnnn1C1CCCC1)[N@H+](C)CC3)OCO2 ZINC000002130559 539344964 /nfs/dbraw/zinc/34/49/64/539344964.db2.gz HVLXXZUBUPSSFW-OAHLLOKOSA-N 1 2 357.414 2.103 50 0 biogenic FEAALO COc1c2c(cc3c1[C@H](c1nnnn1C1CCCC1)[N@@H+](C)CC3)OCO2 ZINC000002130559 539344969 /nfs/dbraw/zinc/34/49/69/539344969.db2.gz HVLXXZUBUPSSFW-OAHLLOKOSA-N 1 2 357.414 2.103 50 0 biogenic FEAALO C[N@H+](CC(=O)NC[C@H](O)C12CC3CC(CC(C3)C1)C2)Cc1cccnc1 ZINC000299789082 529834678 /nfs/dbraw/zinc/83/46/78/529834678.db2.gz WRGOAKTVDZYMAR-TWJKGYNYSA-N 1 2 357.498 2.207 50 0 FEAALO C[N@@H+](CC(=O)NC[C@H](O)C12CC3CC(CC(C3)C1)C2)Cc1cccnc1 ZINC000299789082 529834679 /nfs/dbraw/zinc/83/46/79/529834679.db2.gz WRGOAKTVDZYMAR-TWJKGYNYSA-N 1 2 357.498 2.207 50 0 FEAALO NC(=O)C1CC[NH+](CC(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 ZINC000003301274 539362633 /nfs/dbraw/zinc/36/26/33/539362633.db2.gz APSOEGKOPQDCGN-UHFFFAOYSA-N 1 2 365.433 2.053 50 0 FEAALO O=C(C[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)NC1CCCC1 ZINC000004400357 539384179 /nfs/dbraw/zinc/38/41/79/539384179.db2.gz UEZSXWCRPVLAIU-UHFFFAOYSA-N 1 2 372.465 2.411 50 0 FEAALO CCOc1ccc(NC2=[NH+][C@@H](C(=O)NCc3ccccc3)C=C(O)N2)cc1 ZINC000006492195 539429558 /nfs/dbraw/zinc/42/95/58/539429558.db2.gz VJCGIBLBROKIAS-QGZVFWFLSA-N 1 2 366.421 2.058 50 0 FEAALO CC[N@H+](CCCNS(=O)(=O)c1csc(C(N)=O)c1)c1ccccc1 ZINC000006902241 539440972 /nfs/dbraw/zinc/44/09/72/539440972.db2.gz QNDRUJHAQZSZMS-UHFFFAOYSA-N 1 2 367.496 2.042 50 0 FEAALO CC[N@@H+](CCCNS(=O)(=O)c1csc(C(N)=O)c1)c1ccccc1 ZINC000006902241 539440976 /nfs/dbraw/zinc/44/09/76/539440976.db2.gz QNDRUJHAQZSZMS-UHFFFAOYSA-N 1 2 367.496 2.042 50 0 FEAALO C[N@H+](CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)Cc1ccc(F)cc1 ZINC000006976766 539444003 /nfs/dbraw/zinc/44/40/03/539444003.db2.gz KBTFOQBETITVGX-UHFFFAOYSA-N 1 2 365.355 2.291 50 0 FEAALO C[N@@H+](CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)Cc1ccc(F)cc1 ZINC000006976766 539444007 /nfs/dbraw/zinc/44/40/07/539444007.db2.gz KBTFOQBETITVGX-UHFFFAOYSA-N 1 2 365.355 2.291 50 0 FEAALO Cc1cc(C)cc(-n2ncc3c2nc[nH+]c3N2CCC(C(N)=O)CC2)c1 ZINC000009627531 539506028 /nfs/dbraw/zinc/50/60/28/539506028.db2.gz NYZQPCIJFHVZCC-UHFFFAOYSA-N 1 2 350.426 2.134 50 0 FEAALO O=C(Cc1c[nH]c2ccccc12)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000011114994 539524353 /nfs/dbraw/zinc/52/43/53/539524353.db2.gz XZXLXQBKWKGRGQ-UHFFFAOYSA-N 1 2 350.422 2.258 50 0 FEAALO CC(=O)N1CCN(c2[nH+]cccc2CNC(=O)C2C(C)(C)C2(C)C)CC1 ZINC000012755718 539572643 /nfs/dbraw/zinc/57/26/43/539572643.db2.gz 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O=S(=O)(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000019336147 220251059 /nfs/dbraw/zinc/25/10/59/220251059.db2.gz AYQCZQKMGKDZPS-JKSUJKDBSA-N 1 2 358.891 2.262 50 0 in-vitro FEAALO O=S(=O)(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000019336139 220251449 /nfs/dbraw/zinc/25/14/49/220251449.db2.gz AYQCZQKMGKDZPS-HOTGVXAUSA-N 1 2 358.891 2.262 50 0 in-vitro FEAALO Cc1ccccc1-n1c2nncn2c2sc3c(c2c1=O)CC[N@@H+](C)C3 ZINC000019996135 220308846 /nfs/dbraw/zinc/30/88/46/220308846.db2.gz FDMLPWKTVNPCEG-UHFFFAOYSA-N 1 2 351.435 2.391 50 0 FEAALO Cc1ccccc1-n1c2nncn2c2sc3c(c2c1=O)CC[N@H+](C)C3 ZINC000019996135 220308849 /nfs/dbraw/zinc/30/88/49/220308849.db2.gz FDMLPWKTVNPCEG-UHFFFAOYSA-N 1 2 351.435 2.391 50 0 FEAALO Cc1nc(C[NH+]2CCC(c3nnc(CN4CCCCC4)n3C)CC2)co1 ZINC000077437818 542381691 /nfs/dbraw/zinc/38/16/91/542381691.db2.gz GBNOMYDBRDTYRV-UHFFFAOYSA-N 1 2 358.490 2.477 50 0 FEAALO CCc1[nH+]c2ccccc2n1CCC(=O)N1CCC2(CNC(=O)C2)CC1 ZINC000077358226 542372910 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C[C@@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057395557 136129063 /nfs/dbraw/zinc/12/90/63/136129063.db2.gz ORBDQBJPAMRENH-KRWDZBQOSA-N 1 2 366.465 2.223 50 0 FEAALO Cc1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)[nH]n1 ZINC000095367705 542962006 /nfs/dbraw/zinc/96/20/06/542962006.db2.gz AKDOLTSIJPLAEN-CYBMUJFWSA-N 1 2 356.455 2.439 50 0 FEAALO Cc1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)n[nH]1 ZINC000095367705 542962009 /nfs/dbraw/zinc/96/20/09/542962009.db2.gz AKDOLTSIJPLAEN-CYBMUJFWSA-N 1 2 356.455 2.439 50 0 FEAALO CN(C)c1cc(N2CCC[C@@H](NC(=O)Cc3cccc(F)c3)C2)nc[nH+]1 ZINC000065269111 136135716 /nfs/dbraw/zinc/13/57/16/136135716.db2.gz PRGWGOCIAVZYIW-MRXNPFEDSA-N 1 2 357.433 2.009 50 0 FEAALO CN(C)c1cc(N2CCC[C@@H](NC(=O)Cc3cccc(F)c3)C2)[nH+]cn1 ZINC000065269111 136135717 /nfs/dbraw/zinc/13/57/17/136135717.db2.gz PRGWGOCIAVZYIW-MRXNPFEDSA-N 1 2 357.433 2.009 50 0 FEAALO O=C1NC[C@H](c2ccc(Cl)cc2)Cc2nc(CC[NH+]3CCOCC3)[nH]c21 ZINC000095372341 542962800 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O=C(C[NH+]1CCN(c2ccccn2)CC1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000042081017 136121041 /nfs/dbraw/zinc/12/10/41/136121041.db2.gz YWZBRRKSVFOQPZ-CABCVRRESA-N 1 2 370.419 2.441 50 0 FEAALO Cc1ccc(N2CC[N@@H+](CC(=O)Nc3ccccc3C(N)=O)C[C@@H]2C)cc1 ZINC000055058979 136125685 /nfs/dbraw/zinc/12/56/85/136125685.db2.gz KLUPNJQWWISKLY-INIZCTEOSA-N 1 2 366.465 2.243 50 0 FEAALO Cc1ccc(N2CC[N@H+](CC(=O)Nc3ccccc3C(N)=O)C[C@@H]2C)cc1 ZINC000055058979 136125686 /nfs/dbraw/zinc/12/56/86/136125686.db2.gz KLUPNJQWWISKLY-INIZCTEOSA-N 1 2 366.465 2.243 50 0 FEAALO COc1cccc(N2CC[NH+](CC(=O)NCCc3ccccc3)CC2)c1 ZINC000055062606 136125979 /nfs/dbraw/zinc/12/59/79/136125979.db2.gz FAVHHSMZIWFBHC-UHFFFAOYSA-N 1 2 353.466 2.176 50 0 FEAALO CN(C)c1cc(N2CCC[C@@H](NC(=O)Cc3ccccc3F)C2)nc[nH+]1 ZINC000065269118 136135761 /nfs/dbraw/zinc/13/57/61/136135761.db2.gz GDXXLUGCNJLQKP-OAHLLOKOSA-N 1 2 357.433 2.009 50 0 FEAALO CN(C)c1cc(N2CCC[C@@H](NC(=O)Cc3ccccc3F)C2)[nH+]cn1 ZINC000065269118 136135762 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Cc1cccc(N2CC[NH+](CC(=O)N3CCC(c4ncc[nH]4)CC3)CC2)c1 ZINC000072477780 136149609 /nfs/dbraw/zinc/14/96/09/136149609.db2.gz KDXMZLFORLWMGU-UHFFFAOYSA-N 1 2 367.497 2.246 50 0 FEAALO Cc1[nH+]c[nH]c1CSCCNC(=O)C1CCN(C(=O)C2CCC2)CC1 ZINC000095359360 542958984 /nfs/dbraw/zinc/95/89/84/542958984.db2.gz GMIWCCDCJZQQNX-UHFFFAOYSA-N 1 2 364.515 2.106 50 0 FEAALO CC(C)S(=O)(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095363572 542960974 /nfs/dbraw/zinc/96/09/74/542960974.db2.gz DRODFNQPFMDMEM-CYBMUJFWSA-N 1 2 354.501 2.306 50 0 FEAALO Cc1nc(CCNC(=O)[C@@H](c2ccccc2F)[NH+](C)C)nc2c1CCC2 ZINC000095383987 542966237 /nfs/dbraw/zinc/96/62/37/542966237.db2.gz GIHVVHVLNWURKD-LJQANCHMSA-N 1 2 356.445 2.374 50 0 FEAALO CCOC(=O)C[NH+]1CCC2(CC(=O)N(Cc3cc(F)cc(F)c3)C2)CC1 ZINC000095390773 542968581 /nfs/dbraw/zinc/96/85/81/542968581.db2.gz FZXNBQUBCKBFQG-UHFFFAOYSA-N 1 2 366.408 2.342 50 0 FEAALO Cc1n[nH]c(C)c1[C@@H]([NH3+])C(=O)N1CCc2nc(-c3ccccc3)[nH]c2C1 ZINC000095497685 542974079 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351.450 2.036 50 0 FEAALO Cc1ncc(C(=O)N2CCC(c3[nH+]ccn3CC3CCC3)CC2)c(=O)[nH]1 ZINC000091651554 527226230 /nfs/dbraw/zinc/22/62/30/527226230.db2.gz YRFWWSFKIFTGMB-UHFFFAOYSA-N 1 2 355.442 2.095 50 0 FEAALO CCCc1c[nH+]c(C)nc1NCC1CCN(c2cnn(C)c(=O)c2)CC1 ZINC000077437782 535437592 /nfs/dbraw/zinc/43/75/92/535437592.db2.gz WRGRHCPUMRNBHF-UHFFFAOYSA-N 1 2 356.474 2.160 50 0 FEAALO COc1cc(N2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)nc(N)[nH+]1 ZINC000077455848 536829215 /nfs/dbraw/zinc/82/92/15/536829215.db2.gz UTWZSNLOBHCXHR-LJQANCHMSA-N 1 2 361.490 2.323 50 0 FEAALO COc1cc(N2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)[nH+]c(N)n1 ZINC000077455848 536829220 /nfs/dbraw/zinc/82/92/20/536829220.db2.gz UTWZSNLOBHCXHR-LJQANCHMSA-N 1 2 361.490 2.323 50 0 FEAALO COc1cccc(-c2cc(C(=O)N3CCN(c4cccc[nH+]4)CC3)[nH]n2)c1 ZINC000051315786 537061676 /nfs/dbraw/zinc/06/16/76/537061676.db2.gz HGAIBZZXLAOLCX-UHFFFAOYSA-N 1 2 363.421 2.443 50 0 FEAALO COc1ccnc(N2CC[NH+](Cc3cc(=O)oc4cc(C)ccc34)CC2)n1 ZINC000058174873 537117254 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C[N@H+]1CCO[C@H](CNC(=O)N(CCc2ccccc2)Cc2ccccn2)C1 ZINC000534655920 562539475 /nfs/dbraw/zinc/53/94/75/562539475.db2.gz SNUIHFZMDASUKS-HXUWFJFHSA-N 1 2 368.481 2.167 50 0 FEAALO O=C(NCC1(Cn2cc[nH+]c2)CC1)N1CCC(Oc2ccncc2)CC1 ZINC000534671605 562539964 /nfs/dbraw/zinc/53/99/64/562539964.db2.gz VDSKSMSVSFCASQ-UHFFFAOYSA-N 1 2 355.442 2.311 50 0 FEAALO CC(C)[C@H](C(=O)Nc1ccc(N(C)CCO)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000222045717 568490860 /nfs/dbraw/zinc/49/08/60/568490860.db2.gz NGGIZWGYZOFUBO-JTDSTZFVSA-N 1 2 363.502 2.187 50 0 FEAALO CC(C)[C@H](C(=O)Nc1ccc(N(C)CCO)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000222045717 568490861 /nfs/dbraw/zinc/49/08/61/568490861.db2.gz NGGIZWGYZOFUBO-JTDSTZFVSA-N 1 2 363.502 2.187 50 0 FEAALO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000084514521 571087925 /nfs/dbraw/zinc/08/79/25/571087925.db2.gz KPHGCNDZTGVSAO-GFCCVEGCSA-N 1 2 361.829 2.280 50 0 FEAALO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000084514521 571087927 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C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+](C)CC(C)(CO)CO ZINC000135865419 672136091 /nfs/dbraw/zinc/13/60/91/672136091.db2.gz YWEIDNHOMNNRTC-LBPRGKRZSA-N 1 2 353.850 2.298 50 0 FEAALO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+](C)CC(C)(CO)CO ZINC000135865419 672136092 /nfs/dbraw/zinc/13/60/92/672136092.db2.gz YWEIDNHOMNNRTC-LBPRGKRZSA-N 1 2 353.850 2.298 50 0 FEAALO Cc1nn(C)c(C)c1C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000684300551 672922141 /nfs/dbraw/zinc/92/21/41/672922141.db2.gz BKSPABHGJVIEMF-KBPBESRZSA-N 1 2 350.463 2.441 50 0 FEAALO Cc1nn(C)c(C)c1C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000684300551 672922144 /nfs/dbraw/zinc/92/21/44/672922144.db2.gz BKSPABHGJVIEMF-KBPBESRZSA-N 1 2 350.463 2.441 50 0 FEAALO C[NH+](C)[C@@H](CNC(=O)CCS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000003293247 539362430 /nfs/dbraw/zinc/36/24/30/539362430.db2.gz SUMDIJSMVIPOGS-SFHVURJKSA-N 1 2 360.479 2.270 50 0 FEAALO O=C1C[C@@H]([NH+]2CCSCC2)C(=O)N1c1ccc(Br)cc1 ZINC000004860433 539394280 /nfs/dbraw/zinc/39/42/80/539394280.db2.gz WPWSMMJCDHPQHG-GFCCVEGCSA-N 1 2 355.257 2.130 50 0 FEAALO O=C(NCCCn1cc[nH+]c1)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000004892250 539394723 /nfs/dbraw/zinc/39/47/23/539394723.db2.gz NEJJIKMXHSDIAX-JXAWBTAJSA-N 1 2 364.405 2.454 50 0 FEAALO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000008923083 539494646 /nfs/dbraw/zinc/49/46/46/539494646.db2.gz MRUQWLWBGRMFAJ-AZUAARDMSA-N 1 2 353.466 2.479 50 0 FEAALO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000008923083 539494651 /nfs/dbraw/zinc/49/46/51/539494651.db2.gz MRUQWLWBGRMFAJ-AZUAARDMSA-N 1 2 353.466 2.479 50 0 FEAALO COc1ccccc1[C@H]1[NH+]=C(NCc2ccco2)Nc2nc(C)cc(=O)n21 ZINC000009426321 539502519 /nfs/dbraw/zinc/50/25/19/539502519.db2.gz PDXKHIVULZTOQZ-KRWDZBQOSA-N 1 2 365.393 2.272 50 0 FEAALO O=C(Cn1cc[nH+]c1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000010809275 539520941 /nfs/dbraw/zinc/52/09/41/539520941.db2.gz OMIDJKNQWBYQTE-UHFFFAOYSA-N 1 2 354.332 2.377 50 0 FEAALO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000011153370 539525395 /nfs/dbraw/zinc/52/53/95/539525395.db2.gz CVWVRYATAYUYKJ-QGZVFWFLSA-N 1 2 373.840 2.192 50 0 FEAALO COc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)NC2CCCC2)c(C)c1C ZINC000011934396 539538107 /nfs/dbraw/zinc/53/81/07/539538107.db2.gz XDQJCIYVURZVJH-SFHVURJKSA-N 1 2 373.497 2.061 50 0 FEAALO COc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)NC2CCCC2)c(C)c1C ZINC000011934396 539538112 /nfs/dbraw/zinc/53/81/12/539538112.db2.gz XDQJCIYVURZVJH-SFHVURJKSA-N 1 2 373.497 2.061 50 0 FEAALO CC(=O)c1ccc(OCC(=O)NCc2cccnc2-n2cc[nH+]c2)cc1 ZINC000011934057 539538371 /nfs/dbraw/zinc/53/83/71/539538371.db2.gz ZMVTYPHVTWUHTH-UHFFFAOYSA-N 1 2 350.378 2.165 50 0 FEAALO O=C(NCCCn1cc[nH+]c1)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000012300200 539553069 /nfs/dbraw/zinc/55/30/69/539553069.db2.gz AKGBHWWVQPGJJX-QGZVFWFLSA-N 1 2 372.444 2.010 50 0 FEAALO COc1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cn1 ZINC000016263513 539628985 /nfs/dbraw/zinc/62/89/85/539628985.db2.gz XCUYVOQSFCXMAA-UHFFFAOYSA-N 1 2 355.442 2.274 50 0 FEAALO COc1cccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccccc4)CC3)C2=O)c1 ZINC000018143950 539647454 /nfs/dbraw/zinc/64/74/54/539647454.db2.gz QDHPGLIIWBDMJY-IBGZPJMESA-N 1 2 365.433 2.149 50 0 FEAALO COc1ccc(-c2noc(C[NH+]3CCN(c4ccccn4)CC3)n2)cc1 ZINC000020029590 539671593 /nfs/dbraw/zinc/67/15/93/539671593.db2.gz ICYHLSYGFMJZJT-UHFFFAOYSA-N 1 2 351.410 2.462 50 0 FEAALO COc1ccc([C@@H](C2Sc3nc(C)nn3C2=O)[NH+]2CCC(O)CC2)cc1 ZINC000023157262 539708346 /nfs/dbraw/zinc/70/83/46/539708346.db2.gz DZBRHOAYFNZIJO-HNNXBMFYSA-N 1 2 374.466 2.360 50 0 FEAALO O=C(Cc1csc(NC(=O)c2ccccc2)n1)NCCCn1cc[nH+]c1 ZINC000023238780 539709132 /nfs/dbraw/zinc/70/91/32/539709132.db2.gz GPIBNMKQMSDPFA-UHFFFAOYSA-N 1 2 369.450 2.341 50 0 FEAALO C[C@@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)c1ccc(F)cc1F ZINC000023702430 539718935 /nfs/dbraw/zinc/71/89/35/539718935.db2.gz ALBMJHVKLKUPEQ-CQSZACIVSA-N 1 2 360.408 2.359 50 0 FEAALO Cc1noc(C)c1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000024136675 539726627 /nfs/dbraw/zinc/72/66/27/539726627.db2.gz MMSDSGLRGFMODT-UHFFFAOYSA-N 1 2 355.438 2.113 50 0 FEAALO c1ccc(-n2nnnc2N2CC[NH+](Cc3nc4ccccc4o3)CC2)cc1 ZINC000026203015 539780442 /nfs/dbraw/zinc/78/04/42/539780442.db2.gz PZNFDFRUDXGTIV-UHFFFAOYSA-N 1 2 361.409 2.126 50 0 FEAALO CNc1snc(C)c1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000027674513 539814941 /nfs/dbraw/zinc/81/49/41/539814941.db2.gz FHRKUGKYGFRTSQ-OAHLLOKOSA-N 1 2 360.483 2.124 50 0 FEAALO CNc1snc(C)c1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000027674513 539814945 /nfs/dbraw/zinc/81/49/45/539814945.db2.gz FHRKUGKYGFRTSQ-OAHLLOKOSA-N 1 2 360.483 2.124 50 0 FEAALO COc1cccc(N2CC[NH+](Cc3cc(=O)n4c(C)csc4n3)CC2)c1 ZINC000030963651 539895150 /nfs/dbraw/zinc/89/51/50/539895150.db2.gz CPKMLPQXYBRLHG-UHFFFAOYSA-N 1 2 370.478 2.395 50 0 FEAALO Cc1cc(C[NH+]2CCN(C(=O)/C=C/c3ccc4c(c3)CCO4)CC2)on1 ZINC000032272627 539933073 /nfs/dbraw/zinc/93/30/73/539933073.db2.gz DNHSPTRTTPRIRC-HWKANZROSA-N 1 2 353.422 2.276 50 0 FEAALO CCc1noc([C@@H](C)[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)n1 ZINC000032760189 539951240 /nfs/dbraw/zinc/95/12/40/539951240.db2.gz NDEMXPNQYKLPGO-LLVKDONJSA-N 1 2 370.500 2.197 50 0 FEAALO COC(=O)c1ccc2c(c1)[nH]c(=S)n(CC[C@@H](C)[NH+]1CCCC1)c2=O ZINC000032959216 539961181 /nfs/dbraw/zinc/96/11/81/539961181.db2.gz QUPJXKXMOVVQOU-GFCCVEGCSA-N 1 2 361.467 2.346 50 0 FEAALO Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)NC(=O)c2cccn2C)CC1 ZINC000035355424 539980629 /nfs/dbraw/zinc/98/06/29/539980629.db2.gz FIAXNJOMYFAGKI-UHFFFAOYSA-N 1 2 374.872 2.066 50 0 FEAALO Cc1c(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cnn1C(F)F ZINC000036614583 539991363 /nfs/dbraw/zinc/99/13/63/539991363.db2.gz GWOPRSLOFSVYNZ-UHFFFAOYSA-N 1 2 370.425 2.093 50 0 FEAALO COc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(O)c1 ZINC000036722761 539993350 /nfs/dbraw/zinc/99/33/50/539993350.db2.gz MSQKHUYTZGFMMT-KRWDZBQOSA-N 1 2 356.422 2.032 50 0 FEAALO COc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(O)c1 ZINC000036722761 539993352 /nfs/dbraw/zinc/99/33/52/539993352.db2.gz MSQKHUYTZGFMMT-KRWDZBQOSA-N 1 2 356.422 2.032 50 0 FEAALO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000049538508 540390264 /nfs/dbraw/zinc/39/02/64/540390264.db2.gz OJOVYKHIXCPHFT-HNNXBMFYSA-N 1 2 374.485 2.061 50 0 FEAALO Cc1cccc(N2CC[C@H](CNC(=O)C[N@@H+](C)Cc3ccccn3)C2)c1 ZINC000299760433 223083491 /nfs/dbraw/zinc/08/34/91/223083491.db2.gz HMXJEUUQEAVCIG-GOSISDBHSA-N 1 2 352.482 2.465 50 0 FEAALO Cc1cccc(N2CC[C@H](CNC(=O)C[N@H+](C)Cc3ccccn3)C2)c1 ZINC000299760433 223083496 /nfs/dbraw/zinc/08/34/96/223083496.db2.gz HMXJEUUQEAVCIG-GOSISDBHSA-N 1 2 352.482 2.465 50 0 FEAALO Cc1ccc([C@@H](CCO)NC(=O)C[N@@H+]2CCOc3ccccc3C2)cc1 ZINC000299775952 223090433 /nfs/dbraw/zinc/09/04/33/223090433.db2.gz LQQHXXDKMYDUKZ-LJQANCHMSA-N 1 2 354.450 2.429 50 0 FEAALO Cc1ccc([C@@H](CCO)NC(=O)C[N@H+]2CCOc3ccccc3C2)cc1 ZINC000299775952 223090436 /nfs/dbraw/zinc/09/04/36/223090436.db2.gz LQQHXXDKMYDUKZ-LJQANCHMSA-N 1 2 354.450 2.429 50 0 FEAALO O=C(N[C@H]1CCOC1)c1cccc(-c2ccc(C[NH+]3CCOCC3)cn2)c1 ZINC000299797192 223101899 /nfs/dbraw/zinc/10/18/99/223101899.db2.gz MTZWMMOIPMXPFR-IBGZPJMESA-N 1 2 367.449 2.100 50 0 FEAALO C[C@H](C(=O)NCc1cccnc1N(C)CCc1ccccn1)n1cc[nH+]c1 ZINC000067541154 541478039 /nfs/dbraw/zinc/47/80/39/541478039.db2.gz WJNLLLYPMPWSKZ-MRXNPFEDSA-N 1 2 364.453 2.229 50 0 FEAALO CCOCc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@]3(C(=O)[O-])C2)ccc1OC ZINC000072163932 541792967 /nfs/dbraw/zinc/79/29/67/541792967.db2.gz XFTPFVUWCPDQKH-QUCCMNQESA-N 1 2 362.470 2.260 50 0 FEAALO CCOCc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@]3(C(=O)[O-])C2)ccc1OC ZINC000072163932 541792971 /nfs/dbraw/zinc/79/29/71/541792971.db2.gz XFTPFVUWCPDQKH-QUCCMNQESA-N 1 2 362.470 2.260 50 0 FEAALO Cc1noc(C)c1S(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000072172736 541796135 /nfs/dbraw/zinc/79/61/35/541796135.db2.gz XHIAACHDHYJFOT-HNNXBMFYSA-N 1 2 367.446 2.373 50 0 FEAALO Cc1noc(C)c1S(=O)(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000072172736 541796138 /nfs/dbraw/zinc/79/61/38/541796138.db2.gz XHIAACHDHYJFOT-HNNXBMFYSA-N 1 2 367.446 2.373 50 0 FEAALO Cc1nn(C)c(C)c1CCC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000072240453 541796929 /nfs/dbraw/zinc/79/69/29/541796929.db2.gz LGOFQFYWYFDLOD-UHFFFAOYSA-N 1 2 358.461 2.453 50 0 FEAALO CN(Cc1nc(-c2ccccc2)no1)C(=O)C[N@H+](C)Cc1ccccn1 ZINC000072424817 541809807 /nfs/dbraw/zinc/80/98/07/541809807.db2.gz MDILJNNGFNNUJQ-UHFFFAOYSA-N 1 2 351.410 2.222 50 0 FEAALO CN(Cc1nc(-c2ccccc2)no1)C(=O)C[N@@H+](C)Cc1ccccn1 ZINC000072424817 541809812 /nfs/dbraw/zinc/80/98/12/541809812.db2.gz MDILJNNGFNNUJQ-UHFFFAOYSA-N 1 2 351.410 2.222 50 0 FEAALO CCc1nc(C[N@@H+]2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)no1 ZINC000072480156 541821808 /nfs/dbraw/zinc/82/18/08/541821808.db2.gz KWNDHDDUPRZZJZ-FQEVSTJZSA-N 1 2 369.469 2.432 50 0 FEAALO CCc1nc(C[N@H+]2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)no1 ZINC000072480156 541821811 /nfs/dbraw/zinc/82/18/11/541821811.db2.gz KWNDHDDUPRZZJZ-FQEVSTJZSA-N 1 2 369.469 2.432 50 0 FEAALO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000012785488 220029359 /nfs/dbraw/zinc/02/93/59/220029359.db2.gz ONOJLFUMCJCEDO-NXEZZACHSA-N 1 2 356.348 2.458 50 0 FEAALO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000012785488 220029361 /nfs/dbraw/zinc/02/93/61/220029361.db2.gz ONOJLFUMCJCEDO-NXEZZACHSA-N 1 2 356.348 2.458 50 0 FEAALO O=C(Nc1ccc(SCC[NH+]2CCOCC2)nn1)c1cccs1 ZINC000013806041 220096043 /nfs/dbraw/zinc/09/60/43/220096043.db2.gz AYHXOKFITDKGOG-UHFFFAOYSA-N 1 2 350.469 2.215 50 0 FEAALO Cc1ccc(S(=O)(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000014098628 220106889 /nfs/dbraw/zinc/10/68/89/220106889.db2.gz FOHFHEHTTMCXBY-HZPDHXFCSA-N 1 2 354.516 2.470 50 0 FEAALO O=C(COc1ccc(Oc2ccccc2)cc1)NCC[NH+]1CCOCC1 ZINC000014266782 220121880 /nfs/dbraw/zinc/12/18/80/220121880.db2.gz FZEDWQAQYRIQPW-UHFFFAOYSA-N 1 2 356.422 2.306 50 0 FEAALO O=C(CC1=CSC2=[NH+]CCN12)N1CCO[C@H](Cc2cccc(F)c2)C1 ZINC000015078410 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FEAALO CCOC(=O)C1=C(Cn2cc[nH+]c2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214146 220318186 /nfs/dbraw/zinc/31/81/86/220318186.db2.gz YNXFMXJFJXBLFN-OAHLLOKOSA-N 1 2 360.801 2.408 50 0 FEAALO CCOC(=O)C1C(Cn2cc[nH+]c2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214146 220318190 /nfs/dbraw/zinc/31/81/90/220318190.db2.gz YNXFMXJFJXBLFN-OAHLLOKOSA-N 1 2 360.801 2.408 50 0 FEAALO Cn1c(C[NH+]2CCCC2)nnc1C1CCN(C(=O)Cc2ccsc2)CC1 ZINC000077407915 542379155 /nfs/dbraw/zinc/37/91/55/542379155.db2.gz VROUBNARHJMPKA-UHFFFAOYSA-N 1 2 373.526 2.421 50 0 FEAALO CN1CC[NH+](CC2(Cn3cc[nH+]c3-c3ccc(C(=O)[O-])cc3)CC2)CC1 ZINC000077537711 542394532 /nfs/dbraw/zinc/39/45/32/542394532.db2.gz FMEGVKUBBNPCMN-UHFFFAOYSA-N 1 2 354.454 2.276 50 0 FEAALO CCn1c(C[NH+](C)C)nnc1C1CCN(C(=O)c2scnc2C)CC1 ZINC000077540921 542395159 /nfs/dbraw/zinc/39/51/59/542395159.db2.gz HCZHCZBCTLVOKY-UHFFFAOYSA-N 1 2 362.503 2.144 50 0 FEAALO O=C(NCc1ccccc1)c1ccc(SCC[NH+]2CCOCC2)nc1 ZINC000021663521 220361856 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Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000095359212 542959373 /nfs/dbraw/zinc/95/93/73/542959373.db2.gz NGKDMOBRKDSYIL-OAHLLOKOSA-N 1 2 371.489 2.282 50 0 FEAALO Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cccc(-c3[nH]cc[nH+]3)c2)on1 ZINC000095388417 542966879 /nfs/dbraw/zinc/96/68/79/542966879.db2.gz MQVDHUMERCMYSX-WBVHZDCISA-N 1 2 352.394 2.361 50 0 FEAALO Cc1ncc(S(C)(=O)=O)c(N[C@@H](c2[nH+]ccn2C)c2ccccc2)n1 ZINC000095387018 542967300 /nfs/dbraw/zinc/96/73/00/542967300.db2.gz LATIXBXZFUXMBY-OAHLLOKOSA-N 1 2 357.439 2.124 50 0 FEAALO CCC[C@@H]1C[N@H+](Cc2c(F)c(F)ccc2OC)C[C@H]1NS(C)(=O)=O ZINC000095517182 542978655 /nfs/dbraw/zinc/97/86/55/542978655.db2.gz UWBLRMPVDCBYLD-BXUZGUMPSA-N 1 2 362.442 2.123 50 0 FEAALO CCC[C@@H]1C[N@@H+](Cc2c(F)c(F)ccc2OC)C[C@H]1NS(C)(=O)=O ZINC000095517182 542978658 /nfs/dbraw/zinc/97/86/58/542978658.db2.gz UWBLRMPVDCBYLD-BXUZGUMPSA-N 1 2 362.442 2.123 50 0 FEAALO CSc1ccc(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)o1 ZINC000095463347 542971816 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O[C@@H](COc1ccccc1-c1ccc2c(c1)OCO2)C[NH+]1CCOCC1 ZINC000096135689 222039157 /nfs/dbraw/zinc/03/91/57/222039157.db2.gz UDTZGLBBXMLAMU-MRXNPFEDSA-N 1 2 357.406 2.154 50 0 FEAALO O=C(NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1)[C@H]1CCC(=O)NC1 ZINC000097213127 222169414 /nfs/dbraw/zinc/16/94/14/222169414.db2.gz JWOLCQCWRPBZOH-NRXISQOPSA-N 1 2 354.454 2.479 50 0 FEAALO O=C(CCc1cn2ccccc2[nH+]1)N1CCNC(=O)[C@H]1c1cccc(F)c1 ZINC000097635166 222201416 /nfs/dbraw/zinc/20/14/16/222201416.db2.gz DHIVHWWQPVFTNI-LJQANCHMSA-N 1 2 366.396 2.106 50 0 FEAALO CCOC(=O)N1CCC(NC(=O)c2cnc(C[NH+]3CCCC3)s2)CC1 ZINC000097553142 222191606 /nfs/dbraw/zinc/19/16/06/222191606.db2.gz ZFXJKPIVVHOZLQ-UHFFFAOYSA-N 1 2 366.487 2.090 50 0 FEAALO Cc1nc(-c2ccccc2)ncc1C(=O)NCC1=CSC2=[NH+]CCN12 ZINC000101729612 222282699 /nfs/dbraw/zinc/28/26/99/222282699.db2.gz NLPDNDOHOXMIFM-UHFFFAOYSA-N 1 2 351.435 2.442 50 0 FEAALO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000120960793 326302542 /nfs/dbraw/zinc/30/25/42/326302542.db2.gz 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C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)N[C@H]2CCCCNC2=O)C2CC2)o1 ZINC000252463514 525338561 /nfs/dbraw/zinc/33/85/61/525338561.db2.gz QVDNFZTVDPAIEJ-COXVUDFISA-N 1 2 359.470 2.152 50 0 FEAALO Cc1ccc(OCC[NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000019862520 525417359 /nfs/dbraw/zinc/41/73/59/525417359.db2.gz WWIIZXZINWEIBL-UHFFFAOYSA-N 1 2 360.479 2.380 50 0 FEAALO COc1cccc(C[NH+]2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 ZINC000019851223 525944528 /nfs/dbraw/zinc/94/45/28/525944528.db2.gz NUPYMDUFVAFUJB-UHFFFAOYSA-N 1 2 360.479 2.343 50 0 FEAALO O=C(C1CCOCC1)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000091494286 526309898 /nfs/dbraw/zinc/30/98/98/526309898.db2.gz SBGTXBFFGQZYGZ-UHFFFAOYSA-N 1 2 354.454 2.459 50 0 FEAALO O=C(c1cccc2c(Cl)cccc12)N1CC[NH+](CCOCCO)CC1 ZINC000216387090 526780268 /nfs/dbraw/zinc/78/02/68/526780268.db2.gz JZFRYRSAGKQPJD-UHFFFAOYSA-N 1 2 362.857 2.260 50 0 FEAALO Cc1[nH+]c2ccccc2n1CCC(=O)NCc1nnnn1-c1ccccc1 ZINC000217908250 527165566 /nfs/dbraw/zinc/16/55/66/527165566.db2.gz 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548388273 /nfs/dbraw/zinc/38/82/73/548388273.db2.gz NALWBNFGGYURCC-KRWDZBQOSA-N 1 2 363.433 2.109 50 0 FEAALO Cc1cc(Cl)ccc1OCC[NH+]1CCN(C(=O)[C@H]2CCOC2)CC1 ZINC000215237352 548669447 /nfs/dbraw/zinc/66/94/47/548669447.db2.gz KMDRXALHVHYECK-HNNXBMFYSA-N 1 2 352.862 2.208 50 0 FEAALO O=C([C@@H]1CCCO1)N1CCC[N@@H+](Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000216283251 548677377 /nfs/dbraw/zinc/67/73/77/548677377.db2.gz PDKSQVXFQQEYQE-HNNXBMFYSA-N 1 2 366.845 2.282 50 0 FEAALO O=C([C@@H]1CCCO1)N1CCC[N@H+](Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000216283251 548677382 /nfs/dbraw/zinc/67/73/82/548677382.db2.gz PDKSQVXFQQEYQE-HNNXBMFYSA-N 1 2 366.845 2.282 50 0 FEAALO CCc1csc(CCNC(=O)C2([NH+]3CCOCC3)CCCCC2)n1 ZINC000222251711 548706744 /nfs/dbraw/zinc/70/67/44/548706744.db2.gz NHRKKMSJDZVGMG-UHFFFAOYSA-N 1 2 351.516 2.399 50 0 FEAALO C[N@H+](CC(=O)N1CCC(Cc2noc(C3CC3)n2)CC1)Cc1ccncc1 ZINC000222812275 548712074 /nfs/dbraw/zinc/71/20/74/548712074.db2.gz ZVHIYXQWSXVQRT-UHFFFAOYSA-N 1 2 369.469 2.255 50 0 FEAALO C[N@@H+](CC(=O)N1CCC(Cc2noc(C3CC3)n2)CC1)Cc1ccncc1 ZINC000222812275 548712078 /nfs/dbraw/zinc/71/20/78/548712078.db2.gz ZVHIYXQWSXVQRT-UHFFFAOYSA-N 1 2 369.469 2.255 50 0 FEAALO O=C(Cn1cc[nH+]c1-c1ccccc1)N[C@@H]1COCC[C@@H]1OCC1CC1 ZINC000223285171 548718161 /nfs/dbraw/zinc/71/81/61/548718161.db2.gz XUIKINHEIKCDFC-MSOLQXFVSA-N 1 2 355.438 2.250 50 0 FEAALO CN(C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000225460305 548734694 /nfs/dbraw/zinc/73/46/94/548734694.db2.gz OCBXYUHLWAOVBS-UHFFFAOYSA-N 1 2 362.455 2.249 50 0 FEAALO CN(C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000225460305 548734698 /nfs/dbraw/zinc/73/46/98/548734698.db2.gz OCBXYUHLWAOVBS-UHFFFAOYSA-N 1 2 362.455 2.249 50 0 FEAALO CC(C)[C@H](Nc1ncnc2ccccc21)C(=O)NCCc1[nH+]ccn1C ZINC000252480018 549666765 /nfs/dbraw/zinc/66/67/65/549666765.db2.gz BRRHECVPFHRBJB-KRWDZBQOSA-N 1 2 352.442 2.159 50 0 FEAALO O=C(Cc1ccc(F)cc1)N1CCC([N@H+]2CC(F)(F)C[C@H]2CO)CC1 ZINC000257180636 549712790 /nfs/dbraw/zinc/71/27/90/549712790.db2.gz DRYXYIJFDULXNY-INIZCTEOSA-N 1 2 356.388 2.061 50 0 FEAALO O=C(Cc1ccc(F)cc1)N1CCC([N@@H+]2CC(F)(F)C[C@H]2CO)CC1 ZINC000257180636 549712793 /nfs/dbraw/zinc/71/27/93/549712793.db2.gz DRYXYIJFDULXNY-INIZCTEOSA-N 1 2 356.388 2.061 50 0 FEAALO Cn1cc([C@H]2c3[nH+]ccn3CCCN2C(=O)Cc2cccc(F)c2)cn1 ZINC000257182238 549712880 /nfs/dbraw/zinc/71/28/80/549712880.db2.gz GIGCYIGQPSFYOG-SFHVURJKSA-N 1 2 353.401 2.320 50 0 FEAALO COCCNC(=O)[C@H]1C[C@H](Oc2ccccc2)C[N@@H+]1Cc1ccc(C)o1 ZINC000257184550 549713823 /nfs/dbraw/zinc/71/38/23/549713823.db2.gz IQZXPHUBYKOJEF-RBUKOAKNSA-N 1 2 358.438 2.373 50 0 FEAALO COCCNC(=O)[C@H]1C[C@H](Oc2ccccc2)C[N@H+]1Cc1ccc(C)o1 ZINC000257184550 549713827 /nfs/dbraw/zinc/71/38/27/549713827.db2.gz IQZXPHUBYKOJEF-RBUKOAKNSA-N 1 2 358.438 2.373 50 0 FEAALO CCCn1nc(C)c(C[NH+]2CCN([C@H](C(N)=O)c3ccccc3)CC2)c1C ZINC000289907517 552397564 /nfs/dbraw/zinc/39/75/64/552397564.db2.gz UVLLAJHOPMBUHN-FQEVSTJZSA-N 1 2 369.513 2.254 50 0 FEAALO CCN(Cc1ccccc1F)c1cc([C@@H]2CCOC2)[nH+]c(N2CC(O)C2)n1 ZINC000426490753 559735708 /nfs/dbraw/zinc/73/57/08/559735708.db2.gz SUHXCSWJPHOVKP-OAHLLOKOSA-N 1 2 372.444 2.327 50 0 FEAALO Cc1nc(NCc2nncn2CCc2ccccc2)cc([C@H]2CCOC2)[nH+]1 ZINC000426526845 559736993 /nfs/dbraw/zinc/73/69/93/559736993.db2.gz IBYDZRKVRFYRKF-KRWDZBQOSA-N 1 2 364.453 2.735 50 0 FEAALO Cc1cc(C)nc(CCNC(=O)N2CCC(Oc3cc[nH+]cc3)CC2)n1 ZINC000426684576 559740286 /nfs/dbraw/zinc/74/02/86/559740286.db2.gz WMAVSOAKSNYVQK-UHFFFAOYSA-N 1 2 355.442 2.284 50 0 FEAALO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2c(O)cc(F)cc2F)C[C@H](C)O1 ZINC000222171647 568502642 /nfs/dbraw/zinc/50/26/42/568502642.db2.gz ZZENENKNUPRGAA-MBNYWOFBSA-N 1 2 354.397 2.384 50 0 FEAALO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2c(O)cc(F)cc2F)C[C@H](C)O1 ZINC000222171647 568502644 /nfs/dbraw/zinc/50/26/44/568502644.db2.gz ZZENENKNUPRGAA-MBNYWOFBSA-N 1 2 354.397 2.384 50 0 FEAALO CCN(CC(=O)Nc1cccc(OC)c1)C(=O)C[NH+]1Cc2ccccc2C1 ZINC000084765596 571099483 /nfs/dbraw/zinc/09/94/83/571099483.db2.gz PJWUTWMRMOEVHK-UHFFFAOYSA-N 1 2 367.449 2.498 50 0 FEAALO CCCN(Cc1[nH+]ccn1C)C(=O)C1CCN(C(=O)c2ccncc2)CC1 ZINC000426360423 571215362 /nfs/dbraw/zinc/21/53/62/571215362.db2.gz QRARIXQAHRKIBX-UHFFFAOYSA-N 1 2 369.469 2.106 50 0 FEAALO Cc1[nH+]c2ccccn2c1CC(=O)N1CCNC(=O)[C@H]1c1ccc(F)cc1 ZINC000426361952 571215704 /nfs/dbraw/zinc/21/57/04/571215704.db2.gz NZFNDMYEYJRGLX-LJQANCHMSA-N 1 2 366.396 2.024 50 0 FEAALO CCCC[C@H]1C(=O)N(C)CCN1C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000426397668 571219475 /nfs/dbraw/zinc/21/94/75/571219475.db2.gz XGSBGDSLPDORJW-INIZCTEOSA-N 1 2 357.458 2.185 50 0 FEAALO C[C@@H](CNC(=O)N1CCC2(CCc3ccccc32)CC1)[NH+]1CCOCC1 ZINC000584897969 571315733 /nfs/dbraw/zinc/31/57/33/571315733.db2.gz XGCIVARSVJXRIP-KRWDZBQOSA-N 1 2 357.498 2.397 50 0 FEAALO Cc1nc(-c2nc([C@@H]3[NH2+]CCc4nc[nH]c43)n(CC(F)(F)F)n2)cs1 ZINC000096150363 670760414 /nfs/dbraw/zinc/76/04/14/670760414.db2.gz WAKJLIPNHOWHJX-LLVKDONJSA-N 1 2 369.376 2.231 50 0 FEAALO CCc1nnc(C[N@@H+]2CC[C@]3(OC)CC[C@@H](Oc4ccccn4)C[C@H]23)[nH]1 ZINC000299757893 529737058 /nfs/dbraw/zinc/73/70/58/529737058.db2.gz CYHBDFJGIZVZRF-ZRGWGRIASA-N 1 2 357.458 2.353 50 0 FEAALO CCc1nnc(C[N@H+]2CC[C@]3(OC)CC[C@@H](Oc4ccccn4)C[C@H]23)[nH]1 ZINC000299757893 529737059 /nfs/dbraw/zinc/73/70/59/529737059.db2.gz CYHBDFJGIZVZRF-ZRGWGRIASA-N 1 2 357.458 2.353 50 0 FEAALO CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)C[NH+]1CCCCC1 ZINC000003100316 539359726 /nfs/dbraw/zinc/35/97/26/539359726.db2.gz XITPOWMVYJXOEV-UHFFFAOYSA-N 1 2 356.426 2.473 50 0 FEAALO Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000003363285 539364646 /nfs/dbraw/zinc/36/46/46/539364646.db2.gz LHCAUOXOVKFEPJ-UHFFFAOYSA-N 1 2 373.478 2.183 50 0 FEAALO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)COc2ccccc2)CC1 ZINC000004195842 539378290 /nfs/dbraw/zinc/37/82/90/539378290.db2.gz PIJOSIUIXDLINX-UHFFFAOYSA-N 1 2 353.422 2.092 50 0 FEAALO O=C1N(C[NH+]2CCCCC2)c2ccc(Br)cc2C12OCCO2 ZINC000004377824 539383337 /nfs/dbraw/zinc/38/33/37/539383337.db2.gz KOSKFBGPEMOHEH-UHFFFAOYSA-N 1 2 367.243 2.439 50 0 FEAALO C[C@H](C(=O)N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000005930555 539419494 /nfs/dbraw/zinc/41/94/94/539419494.db2.gz QZSPCUHRAOVRIO-OWCLPIDISA-N 1 2 365.905 2.486 50 0 FEAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1 ZINC000008778743 539492423 /nfs/dbraw/zinc/49/24/23/539492423.db2.gz JNWHTGKMAFQCNQ-KRWDZBQOSA-N 1 2 369.446 2.343 50 0 FEAALO COc1ccc2c(C)c(CCC(=O)NCCCn3cc[nH+]c3)c(=O)oc2c1 ZINC000009421566 539502216 /nfs/dbraw/zinc/50/22/16/539502216.db2.gz LKMQVVXMJCHPET-UHFFFAOYSA-N 1 2 369.421 2.446 50 0 FEAALO Cn1cccc1[C@@H](CNS(=O)(=O)c1cc(F)ccc1F)[NH+]1CCCC1 ZINC000011846856 539537427 /nfs/dbraw/zinc/53/74/27/539537427.db2.gz HGAKLUPXHZKHSS-MRXNPFEDSA-N 1 2 369.437 2.419 50 0 FEAALO CCN(Cc1[nH+]ccn1C)C(=O)c1ccc(N(C)Cc2cc(C)no2)nc1 ZINC000012303927 539553439 /nfs/dbraw/zinc/55/34/39/539553439.db2.gz KVGZUOTXJDXIFX-UHFFFAOYSA-N 1 2 368.441 2.410 50 0 FEAALO COc1cc(NC(=O)CN2CC[NH+](Cc3ccco3)CC2)cc(OC)c1 ZINC000022915171 539702551 /nfs/dbraw/zinc/70/25/51/539702551.db2.gz VURJXFOLDHQMHX-UHFFFAOYSA-N 1 2 359.426 2.053 50 0 FEAALO O=C(NCc1nn[nH]n1)c1ccc([C@@H]2CCC[N@H+]2CCC(F)(F)F)s1 ZINC000023232017 539709496 /nfs/dbraw/zinc/70/94/96/539709496.db2.gz SVVVCNHNOOPRBX-VIFPVBQESA-N 1 2 374.392 2.281 50 0 FEAALO O=C(NCc1nn[nH]n1)c1ccc([C@@H]2CCC[N@@H+]2CCC(F)(F)F)s1 ZINC000023232017 539709501 /nfs/dbraw/zinc/70/95/01/539709501.db2.gz SVVVCNHNOOPRBX-VIFPVBQESA-N 1 2 374.392 2.281 50 0 FEAALO C[C@@H]1C[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)C[C@@H](C)O1 ZINC000023584713 539716997 /nfs/dbraw/zinc/71/69/97/539716997.db2.gz PGGKZHNTPAVIAU-GHMZBOCLSA-N 1 2 352.232 2.066 50 0 FEAALO O=C(c1ccccc1)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000024049791 539724838 /nfs/dbraw/zinc/72/48/38/539724838.db2.gz BPYDWMUFUZYRSO-UHFFFAOYSA-N 1 2 360.417 2.471 50 0 FEAALO COc1ccc(OCC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000024002069 539724166 /nfs/dbraw/zinc/72/41/66/539724166.db2.gz UHTZQNAMFCIACW-FQEVSTJZSA-N 1 2 370.449 2.091 50 0 FEAALO COc1ccc(OCC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000024002069 539724169 /nfs/dbraw/zinc/72/41/69/539724169.db2.gz UHTZQNAMFCIACW-FQEVSTJZSA-N 1 2 370.449 2.091 50 0 FEAALO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000024477526 539732574 /nfs/dbraw/zinc/73/25/74/539732574.db2.gz LZTXIPDHKVPRPO-OAHLLOKOSA-N 1 2 354.454 2.252 50 0 FEAALO C[NH+](C)[C@@H](CNC(=O)c1ccccc1S(C)(=O)=O)c1ccsc1 ZINC000025814623 539769674 /nfs/dbraw/zinc/76/96/74/539769674.db2.gz PTVJRLMEIDVCHE-AWEZNQCLSA-N 1 2 352.481 2.184 50 0 FEAALO COC(=O)c1sc(NC(=O)C[N@@H+]2CCCC[C@H]2C)c(C(=O)OC)c1C ZINC000000944633 219344397 /nfs/dbraw/zinc/34/43/97/219344397.db2.gz GKSHXEWMLCBKDT-SNVBAGLBSA-N 1 2 368.455 2.443 50 0 FEAALO COC(=O)c1sc(NC(=O)C[N@H+]2CCCC[C@H]2C)c(C(=O)OC)c1C ZINC000000944633 219344400 /nfs/dbraw/zinc/34/44/00/219344400.db2.gz GKSHXEWMLCBKDT-SNVBAGLBSA-N 1 2 368.455 2.443 50 0 FEAALO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)COCc1ccco1)c1ccccc1F ZINC000028690058 539835319 /nfs/dbraw/zinc/83/53/19/539835319.db2.gz DPWASUDCZLTOSX-RDTXWAMCSA-N 1 2 359.401 2.409 50 0 FEAALO COc1ccc(CC[N@H+](C)Cc2nnnn2-c2ccccc2)cc1OC ZINC000030537532 539884497 /nfs/dbraw/zinc/88/44/97/539884497.db2.gz YSWXZLRXFRVKJD-UHFFFAOYSA-N 1 2 353.426 2.354 50 0 FEAALO COc1ccc(CC[N@@H+](C)Cc2nnnn2-c2ccccc2)cc1OC ZINC000030537532 539884500 /nfs/dbraw/zinc/88/45/00/539884500.db2.gz YSWXZLRXFRVKJD-UHFFFAOYSA-N 1 2 353.426 2.354 50 0 FEAALO O=C(Nc1nc2ccccc2n1CC[NH+]1CCOCC1)c1ccncc1 ZINC000032501867 539941797 /nfs/dbraw/zinc/94/17/97/539941797.db2.gz KBUXRAWIGOYHSU-UHFFFAOYSA-N 1 2 351.410 2.016 50 0 FEAALO O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000032817004 539954724 /nfs/dbraw/zinc/95/47/24/539954724.db2.gz LRLIWMRHMSGAEA-KRWDZBQOSA-N 1 2 369.490 2.445 50 0 FEAALO Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000032987886 539962277 /nfs/dbraw/zinc/96/22/77/539962277.db2.gz SUTCDZFCPPUCPY-LJQANCHMSA-N 1 2 368.481 2.426 50 0 FEAALO COC(=O)C1=C(C[N@@H+]2CCC[C@H](C)C2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000034087024 539975821 /nfs/dbraw/zinc/97/58/21/539975821.db2.gz CESBUDCKGYCTQM-UGSOOPFHSA-N 1 2 373.453 2.208 50 0 FEAALO COC(=O)C1=C(C[N@H+]2CCC[C@H](C)C2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000034087024 539975824 /nfs/dbraw/zinc/97/58/24/539975824.db2.gz CESBUDCKGYCTQM-UGSOOPFHSA-N 1 2 373.453 2.208 50 0 FEAALO COCCCNC(=O)C1CCN(c2[nH+]c3ccccc3n2CCOC)CC1 ZINC000034906745 539978474 /nfs/dbraw/zinc/97/84/74/539978474.db2.gz CPRIQEFHTQOPBM-UHFFFAOYSA-N 1 2 374.485 2.052 50 0 FEAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000035360232 539981209 /nfs/dbraw/zinc/98/12/09/539981209.db2.gz HZWWEBIDHWXPKH-UHFFFAOYSA-N 1 2 373.478 2.265 50 0 FEAALO CC(C)N(C(=O)C[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1)C(C)C ZINC000035598341 539983868 /nfs/dbraw/zinc/98/38/68/539983868.db2.gz UOXXDUYMJYMFPF-UHFFFAOYSA-N 1 2 357.502 2.326 50 0 FEAALO CCC[C@H](NC(=O)C[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000036391720 539990260 /nfs/dbraw/zinc/99/02/60/539990260.db2.gz UFPDAHCJDYDEDF-SFHVURJKSA-N 1 2 353.470 2.256 50 0 FEAALO CNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000036311034 539989235 /nfs/dbraw/zinc/98/92/35/539989235.db2.gz ROPALQHYPTWOMV-KRWDZBQOSA-N 1 2 362.449 2.280 50 0 FEAALO Cc1ccc(C(=O)C2CC[NH+](CC(=O)NC[C@@H]3CCCO3)CC2)c(C)c1 ZINC000040086391 540005400 /nfs/dbraw/zinc/00/54/00/540005400.db2.gz RYRCBKWEEARDKF-SFHVURJKSA-N 1 2 358.482 2.493 50 0 FEAALO O=C(NCCn1cc[nH+]c1)Nc1ccc(I)cc1 ZINC000040096928 540006288 /nfs/dbraw/zinc/00/62/88/540006288.db2.gz BWIUIELASCHSNK-UHFFFAOYSA-N 1 2 356.167 2.309 50 0 FEAALO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)Nc1ccc(F)cc1F ZINC000042309945 540058396 /nfs/dbraw/zinc/05/83/96/540058396.db2.gz BHUZCXBMALHTHX-MRXNPFEDSA-N 1 2 357.426 2.294 50 0 FEAALO COC(=O)N1CC[NH+](CCNC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000044227519 540120451 /nfs/dbraw/zinc/12/04/51/540120451.db2.gz CICZVUYADGWTJQ-UHFFFAOYSA-N 1 2 374.363 2.211 50 0 FEAALO O=C(NCCc1ccco1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000053555300 540542936 /nfs/dbraw/zinc/54/29/36/540542936.db2.gz LDRRZOMRLQUFNJ-UHFFFAOYSA-N 1 2 357.410 2.078 50 0 FEAALO CCOC(=O)CN(C)c1ncc(C[NH2+][C@@H](C)c2cn3ccsc3n2)cn1 ZINC000055225568 540638241 /nfs/dbraw/zinc/63/82/41/540638241.db2.gz UBQWFGGHGYCQND-LBPRGKRZSA-N 1 2 374.470 2.036 50 0 FEAALO COc1ccccc1C(=O)NCC(=O)OCc1cn2cc(C)ccc2[nH+]1 ZINC000008481921 219863311 /nfs/dbraw/zinc/86/33/11/219863311.db2.gz FCYNQZXXXSLNIG-UHFFFAOYSA-N 1 2 353.378 2.125 50 0 FEAALO CN(C)C(=O)c1ccc(CNC(=O)CC2=CSC3=[NH+]CCCN23)cc1 ZINC000299800859 223104405 /nfs/dbraw/zinc/10/44/05/223104405.db2.gz WCEDKCYSCPBPFC-UHFFFAOYSA-N 1 2 358.467 2.045 50 0 FEAALO Cc1nnc(CCNC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000299799512 223102717 /nfs/dbraw/zinc/10/27/17/223102717.db2.gz GXLSNZGNZOPYOP-UHFFFAOYSA-N 1 2 361.471 2.043 50 0 FEAALO Cc1[nH+]c2ccccc2n1Cc1cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)[nH]n1 ZINC000012372713 219986447 /nfs/dbraw/zinc/98/64/47/219986447.db2.gz DHZZEDXJRLONOO-BETUJISGSA-N 1 2 353.426 2.366 50 0 FEAALO COc1ccc(NC(=O)NCCNc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000072117714 541783761 /nfs/dbraw/zinc/78/37/61/541783761.db2.gz MARGYTRACYBCAY-UHFFFAOYSA-N 1 2 356.430 2.319 50 0 FEAALO COc1ccc(NC(=O)NCCNc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000072117714 541783764 /nfs/dbraw/zinc/78/37/64/541783764.db2.gz MARGYTRACYBCAY-UHFFFAOYSA-N 1 2 356.430 2.319 50 0 FEAALO Cn1cc[nH+]c1CN1CCN(c2cc(-c3ccccc3)nc3ccnn32)CC1 ZINC000072132062 541785121 /nfs/dbraw/zinc/78/51/21/541785121.db2.gz KCTWSHJUUWWJPT-UHFFFAOYSA-N 1 2 373.464 2.452 50 0 FEAALO CCc1ccc(Cn2cc[nH+]c2-c2ccc(S(=O)(=O)NC)cc2)nc1 ZINC000072142110 541787000 /nfs/dbraw/zinc/78/70/00/541787000.db2.gz OBPJHOCQZJTJNE-UHFFFAOYSA-N 1 2 356.451 2.464 50 0 FEAALO O=C(c1ccc2[nH]nnc2c1)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000072164322 541792884 /nfs/dbraw/zinc/79/28/84/541792884.db2.gz SZHPNRSRZJIFFC-GOSISDBHSA-N 1 2 361.449 2.273 50 0 FEAALO Cc1[nH]ccc1C(=O)N1CCC[C@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 ZINC000072412017 541807313 /nfs/dbraw/zinc/80/73/13/541807313.db2.gz DWDSFBPVBJTOIB-INIZCTEOSA-N 1 2 370.501 2.457 50 0 FEAALO CCc1nc(N2CCC[C@@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)no1 ZINC000072448026 541815943 /nfs/dbraw/zinc/81/59/43/541815943.db2.gz GDZHNSOALLYCRV-CQSZACIVSA-N 1 2 359.478 2.130 50 0 FEAALO COc1ccc(-c2n[nH]c(=S)n2CCC[NH+]2CCOCC2)cc1OC ZINC000013718651 220089038 /nfs/dbraw/zinc/08/90/38/220089038.db2.gz IUNZKCYHDUZADP-UHFFFAOYSA-N 1 2 364.471 2.347 50 0 FEAALO CN(C)c1nc(N)nc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)n1 ZINC000014184316 220115165 /nfs/dbraw/zinc/11/51/65/220115165.db2.gz SCBUCOJFHFBMIR-UHFFFAOYSA-N 1 2 353.430 2.041 50 0 FEAALO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000016484643 220184716 /nfs/dbraw/zinc/18/47/16/220184716.db2.gz WOVBBKHCTJSTAT-JTQLQIEISA-N 1 2 367.471 2.145 50 0 FEAALO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[N@H+]1CCCC[C@@H]1C ZINC000016484643 220184718 /nfs/dbraw/zinc/18/47/18/220184718.db2.gz WOVBBKHCTJSTAT-JTQLQIEISA-N 1 2 367.471 2.145 50 0 FEAALO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000016446187 220184909 /nfs/dbraw/zinc/18/49/09/220184909.db2.gz HUKKXVVZZYRRTO-JTQLQIEISA-N 1 2 367.471 2.003 50 0 FEAALO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[N@H+]1CCC[C@H](C)C1 ZINC000016446187 220184914 /nfs/dbraw/zinc/18/49/14/220184914.db2.gz HUKKXVVZZYRRTO-JTQLQIEISA-N 1 2 367.471 2.003 50 0 FEAALO O=c1c2c3c(sc2[nH]c(=S)n1CCC[NH+]1CCOCC1)CCC3 ZINC000017072969 220201850 /nfs/dbraw/zinc/20/18/50/220201850.db2.gz FWYPMLCOVWODRH-UHFFFAOYSA-N 1 2 351.497 2.332 50 0 FEAALO O=C1O[C@@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2ccccc21 ZINC000019359508 220253769 /nfs/dbraw/zinc/25/37/69/220253769.db2.gz SEDKWJLTQOQURF-LJQANCHMSA-N 1 2 352.390 2.402 50 0 FEAALO COc1ccc(C[NH+]2CCN(C(=O)CC(C)C)CC2)c(OC)c1OC ZINC000019446473 220258049 /nfs/dbraw/zinc/25/80/49/220258049.db2.gz WMXSHSWUBOZEEI-UHFFFAOYSA-N 1 2 350.459 2.403 50 0 FEAALO CCOC(=O)N1CC[NH+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000019809475 220298331 /nfs/dbraw/zinc/29/83/31/220298331.db2.gz KASOYPJFSBQJMH-KRWDZBQOSA-N 1 2 364.486 2.498 50 0 FEAALO C[N@@H+]1CCc2n[nH]c(C(=O)N3CCC[C@H](COc4cccc(F)c4)C3)c2C1 ZINC000077439092 542381568 /nfs/dbraw/zinc/38/15/68/542381568.db2.gz VMCGMLHXOXCCOI-AWEZNQCLSA-N 1 2 372.444 2.468 50 0 FEAALO C[N@H+]1CCc2n[nH]c(C(=O)N3CCC[C@H](COc4cccc(F)c4)C3)c2C1 ZINC000077439092 542381569 /nfs/dbraw/zinc/38/15/69/542381569.db2.gz VMCGMLHXOXCCOI-AWEZNQCLSA-N 1 2 372.444 2.468 50 0 FEAALO O=S(=O)(Cc1ccc(F)cc1)N1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000077503566 542389673 /nfs/dbraw/zinc/38/96/73/542389673.db2.gz WCKGMSONQHJXHE-SFHVURJKSA-N 1 2 370.490 2.232 50 0 FEAALO CCOC(=O)C[C@@H]1COCC[N@@H+]1Cc1cn(C)nc1-c1ccccc1F ZINC000020999385 220347921 /nfs/dbraw/zinc/34/79/21/220347921.db2.gz OEZMKYBNUFEDSN-OAHLLOKOSA-N 1 2 361.417 2.380 50 0 FEAALO CCOC(=O)C[C@@H]1COCC[N@H+]1Cc1cn(C)nc1-c1ccccc1F ZINC000020999385 220347922 /nfs/dbraw/zinc/34/79/22/220347922.db2.gz OEZMKYBNUFEDSN-OAHLLOKOSA-N 1 2 361.417 2.380 50 0 FEAALO C[C@@H]1C[N@H+](C(C)(C)CNS(=O)(=O)/C=C/c2ccccc2)C[C@H](C)O1 ZINC000021870012 220369054 /nfs/dbraw/zinc/36/90/54/220369054.db2.gz LQHXOQCTDUYPBU-VQAKBWMISA-N 1 2 352.500 2.465 50 0 FEAALO C[C@@H]1C[N@@H+](C(C)(C)CNS(=O)(=O)/C=C/c2ccccc2)C[C@H](C)O1 ZINC000021870012 220369056 /nfs/dbraw/zinc/36/90/56/220369056.db2.gz LQHXOQCTDUYPBU-VQAKBWMISA-N 1 2 352.500 2.465 50 0 FEAALO CC(C)(CNC(=O)c1cccc(OC[C@H]2CCCO2)c1)[NH+]1CCOCC1 ZINC000022618258 220393088 /nfs/dbraw/zinc/39/30/88/220393088.db2.gz SVNWVVPWJFBYTO-GOSISDBHSA-N 1 2 362.470 2.085 50 0 FEAALO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1[nH]nc2ccccc21 ZINC000022687400 220393495 /nfs/dbraw/zinc/39/34/95/220393495.db2.gz SKQVYYYWMZENKJ-INIZCTEOSA-N 1 2 350.422 2.194 50 0 FEAALO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1[nH]nc2ccccc21 ZINC000022687400 220393501 /nfs/dbraw/zinc/39/35/01/220393501.db2.gz SKQVYYYWMZENKJ-INIZCTEOSA-N 1 2 350.422 2.194 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2.113 50 0 FEAALO COc1cc2c(cc1C[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1)OCCCO2 ZINC000216286065 548678095 /nfs/dbraw/zinc/67/80/95/548678095.db2.gz SFADSOSJZLGXAZ-CQSZACIVSA-N 1 2 369.483 2.113 50 0 FEAALO Cc1cn2cc(C(=O)N[C@@H]3CCOC[C@H]3Oc3ccccn3)ccc2[nH+]1 ZINC000220228079 548699266 /nfs/dbraw/zinc/69/92/66/548699266.db2.gz UQBDBDNTJQOBHO-HZPDHXFCSA-N 1 2 352.394 2.004 50 0 FEAALO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1cc2c([nH]c1=O)CCC2 ZINC000221174010 548704133 /nfs/dbraw/zinc/70/41/33/548704133.db2.gz PJVYPMKRBHNVFD-UHFFFAOYSA-N 1 2 362.433 2.381 50 0 FEAALO COCc1ccccc1CNC(=O)C[N@@H+]1CCCC[C@@H]1c1ccnn1C ZINC000225631972 548739096 /nfs/dbraw/zinc/73/90/96/548739096.db2.gz SOCYCLGOOUQHHT-LJQANCHMSA-N 1 2 356.470 2.410 50 0 FEAALO COCc1ccccc1CNC(=O)C[N@H+]1CCCC[C@@H]1c1ccnn1C ZINC000225631972 548739099 /nfs/dbraw/zinc/73/90/99/548739099.db2.gz SOCYCLGOOUQHHT-LJQANCHMSA-N 1 2 356.470 2.410 50 0 FEAALO CN1CCC[N@H+](CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)CC1=O ZINC000241701801 548886023 /nfs/dbraw/zinc/88/60/23/548886023.db2.gz QLGFTRIUXZRMQH-HXUWFJFHSA-N 1 2 365.477 2.251 50 0 FEAALO CN1CCC[N@@H+](CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)CC1=O ZINC000241701801 548886028 /nfs/dbraw/zinc/88/60/28/548886028.db2.gz QLGFTRIUXZRMQH-HXUWFJFHSA-N 1 2 365.477 2.251 50 0 FEAALO Cc1cccc(CN2CC[N@@H+](CCC(=O)Nc3cccnc3)[C@H](C)C2=O)c1 ZINC000243893546 548889680 /nfs/dbraw/zinc/88/96/80/548889680.db2.gz ARZUQVAAKYAEDF-QGZVFWFLSA-N 1 2 366.465 2.452 50 0 FEAALO Cc1cccc(CN2CC[N@H+](CCC(=O)Nc3cccnc3)[C@H](C)C2=O)c1 ZINC000243893546 548889684 /nfs/dbraw/zinc/88/96/84/548889684.db2.gz ARZUQVAAKYAEDF-QGZVFWFLSA-N 1 2 366.465 2.452 50 0 FEAALO CCCc1nnc(NC(=O)C[NH+]2CCC(Cc3noc(C)n3)CC2)s1 ZINC000244899954 548898789 /nfs/dbraw/zinc/89/87/89/548898789.db2.gz ZTNMBWJAZQUNJV-UHFFFAOYSA-N 1 2 364.475 2.075 50 0 FEAALO Cc1[nH+]c2ccccn2c1CN(C)C(=O)c1cc(CC(C)C)nc(N)n1 ZINC000252485595 549668221 /nfs/dbraw/zinc/66/82/21/549668221.db2.gz GZVLZYDELABTLS-UHFFFAOYSA-N 1 2 352.442 2.486 50 0 FEAALO COC(=O)c1cc(C[NH+]2CCN(C(=O)c3ccc(C)cc3)CC2)cn1C ZINC000252509446 549671219 /nfs/dbraw/zinc/67/12/19/549671219.db2.gz YNZUUVIXIZCKPA-UHFFFAOYSA-N 1 2 355.438 2.078 50 0 FEAALO Cn1cc([C@@H]2c3[nH+]ccn3CCCN2C(=O)Cc2cccc(F)c2)cn1 ZINC000257182237 549712432 /nfs/dbraw/zinc/71/24/32/549712432.db2.gz GIGCYIGQPSFYOG-GOSISDBHSA-N 1 2 353.401 2.320 50 0 FEAALO CC(C)c1ccc([C@@H](C)NC(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000426494320 559735985 /nfs/dbraw/zinc/73/59/85/559735985.db2.gz OQKUZFHBDZTAHD-QGZVFWFLSA-N 1 2 370.501 2.490 50 0 FEAALO Cc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCc1ccsc1 ZINC000426544907 559737443 /nfs/dbraw/zinc/73/74/43/559737443.db2.gz DGMAVHDGCHNYNA-QGZVFWFLSA-N 1 2 357.479 2.063 50 0 FEAALO Cc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(=O)NCc1ccsc1 ZINC000426544907 559737444 /nfs/dbraw/zinc/73/74/44/559737444.db2.gz DGMAVHDGCHNYNA-QGZVFWFLSA-N 1 2 357.479 2.063 50 0 FEAALO CCc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3csc(C)n3)C[C@H]2O)cs1 ZINC000426621557 559739117 /nfs/dbraw/zinc/73/91/17/559739117.db2.gz DXWSXGYNKDNJDO-HZPDHXFCSA-N 1 2 365.524 2.441 50 0 FEAALO CCc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3csc(C)n3)C[C@H]2O)cs1 ZINC000426621557 559739118 /nfs/dbraw/zinc/73/91/18/559739118.db2.gz DXWSXGYNKDNJDO-HZPDHXFCSA-N 1 2 365.524 2.441 50 0 FEAALO Cn1cc[nH+]c1-c1ccc(C(=O)N2CCN(Cc3ccccn3)CC2)cc1 ZINC000426693769 559740385 /nfs/dbraw/zinc/74/03/85/559740385.db2.gz OIVYQAHUYSGTES-UHFFFAOYSA-N 1 2 361.449 2.440 50 0 FEAALO CCCOCC[NH+]1CCN(C(=O)c2ccc(-c3cncc(=O)[nH]3)cc2)CC1 ZINC000534673713 562540176 /nfs/dbraw/zinc/54/01/76/562540176.db2.gz LGVRBHNPIDVSBA-UHFFFAOYSA-N 1 2 370.453 2.034 50 0 FEAALO Cn1cc(-c2nc([C@H]3CCCCCN3C(=O)CCc3c[nH+]c[nH]3)no2)cn1 ZINC000329367552 570612564 /nfs/dbraw/zinc/61/25/64/570612564.db2.gz HLMPDSVIWZGFTD-OAHLLOKOSA-N 1 2 369.429 2.270 50 0 FEAALO Cn1cc(-c2nc([C@H]3CCCCCN3C(=O)CCc3c[nH]c[nH+]3)no2)cn1 ZINC000329367552 570612570 /nfs/dbraw/zinc/61/25/70/570612570.db2.gz HLMPDSVIWZGFTD-OAHLLOKOSA-N 1 2 369.429 2.270 50 0 FEAALO COC(=O)c1ncn(C[NH+]2CCC(CCc3ccc(OC)cc3)CC2)n1 ZINC000048275905 570941673 /nfs/dbraw/zinc/94/16/73/570941673.db2.gz DTBQZDQOEGYOTC-UHFFFAOYSA-N 1 2 358.442 2.376 50 0 FEAALO COCc1nc(NCCc2[nH]c3c(cccc3C)[nH+]2)cc([C@H]2CCOC2)n1 ZINC000426412766 571132299 /nfs/dbraw/zinc/13/22/99/571132299.db2.gz LPEOGAMHBCQCAW-AWEZNQCLSA-N 1 2 367.453 2.966 50 0 FEAALO COCc1nc(NCCc2[nH]c3cccc(C)c3[nH+]2)cc([C@H]2CCOC2)n1 ZINC000426412766 571132301 /nfs/dbraw/zinc/13/23/01/571132301.db2.gz LPEOGAMHBCQCAW-AWEZNQCLSA-N 1 2 367.453 2.966 50 0 FEAALO CCCN(Cc1[nH+]ccn1C)C(=O)NCCc1nc2ccccc2c(=O)[nH]1 ZINC000426404234 571220740 /nfs/dbraw/zinc/22/07/40/571220740.db2.gz KZJCSQNMQACZTG-UHFFFAOYSA-N 1 2 368.441 2.233 50 0 FEAALO CN(Cc1cccc(O)c1)C(=O)NCC1(N2CC[NH+](C)CC2)CCCCC1 ZINC000426422678 571223426 /nfs/dbraw/zinc/22/34/26/571223426.db2.gz ABACQZNEYFTKLX-UHFFFAOYSA-N 1 2 374.529 2.484 50 0 FEAALO Cc1c(NC(=O)c2coc(C[NH3+])n2)cccc1C(=O)Nc1nccs1 ZINC000952979688 681794318 /nfs/dbraw/zinc/79/43/18/681794318.db2.gz RFHFLTKSERLNEC-UHFFFAOYSA-N 1 2 357.395 2.403 50 0 FEAALO COc1c2c(cc3c1[C@H](c1nnnn1C1CCCCC1)[N@H+](C)CC3)OCO2 ZINC000002128396 539344937 /nfs/dbraw/zinc/34/49/37/539344937.db2.gz BKDUDYJWAQAMQE-MRXNPFEDSA-N 1 2 371.441 2.493 50 0 biogenic FEAALO COc1c2c(cc3c1[C@H](c1nnnn1C1CCCCC1)[N@@H+](C)CC3)OCO2 ZINC000002128396 539344941 /nfs/dbraw/zinc/34/49/41/539344941.db2.gz BKDUDYJWAQAMQE-MRXNPFEDSA-N 1 2 371.441 2.493 50 0 biogenic FEAALO O=C(CCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCc1cccs1 ZINC000004721829 539391108 /nfs/dbraw/zinc/39/11/08/539391108.db2.gz FDKUMEGZUAEBQF-UHFFFAOYSA-N 1 2 372.494 2.278 50 0 FEAALO COc1ccc(Br)cc1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000004810441 539393083 /nfs/dbraw/zinc/39/30/83/539393083.db2.gz SJYGHCFZAKDZJB-UHFFFAOYSA-N 1 2 374.260 2.023 50 0 FEAALO O=C1C[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1Cc1ccccc1 ZINC000004856195 539394001 /nfs/dbraw/zinc/39/40/01/539394001.db2.gz LSMNCBJCPYTVSV-LJQANCHMSA-N 1 2 367.424 2.275 50 0 FEAALO Cc1cc(=O)oc2cc(OCC(=O)NCCc3c[nH+]c[nH]3)c(Cl)cc12 ZINC000006665252 539433810 /nfs/dbraw/zinc/43/38/10/539433810.db2.gz CSKQMQCRGGJJPS-UHFFFAOYSA-N 1 2 361.785 2.216 50 0 FEAALO Cc1cc(=O)oc2cc(OCC(=O)NCCc3c[nH]c[nH+]3)c(Cl)cc12 ZINC000006665252 539433812 /nfs/dbraw/zinc/43/38/12/539433812.db2.gz CSKQMQCRGGJJPS-UHFFFAOYSA-N 1 2 361.785 2.216 50 0 FEAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000008173686 539479299 /nfs/dbraw/zinc/47/92/99/539479299.db2.gz WIMKNUWWWZVTFN-UHFFFAOYSA-N 1 2 371.462 2.487 50 0 FEAALO CC[N@H+](CCCNC(=O)CNC(=O)Cc1ccccc1)c1ccccc1 ZINC000009154858 539499034 /nfs/dbraw/zinc/49/90/34/539499034.db2.gz LMAQGWIYYIQYPR-UHFFFAOYSA-N 1 2 353.466 2.378 50 0 FEAALO CC[N@@H+](CCCNC(=O)CNC(=O)Cc1ccccc1)c1ccccc1 ZINC000009154858 539499038 /nfs/dbraw/zinc/49/90/38/539499038.db2.gz LMAQGWIYYIQYPR-UHFFFAOYSA-N 1 2 353.466 2.378 50 0 FEAALO O=C(COc1ccc2c(c1)CCC2)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000012172886 539547699 /nfs/dbraw/zinc/54/76/99/539547699.db2.gz GHYUPUKFBBFVNE-UHFFFAOYSA-N 1 2 367.449 2.102 50 0 FEAALO Cc1cc(Cl)ccc1-n1ncc2c1nc[nH+]c2N1CCC(C(N)=O)CC1 ZINC000015880935 539625300 /nfs/dbraw/zinc/62/53/00/539625300.db2.gz NFQPNXKQDJLBIY-UHFFFAOYSA-N 1 2 370.844 2.479 50 0 FEAALO COc1ccc(C[NH+]2CCN(c3nc(C)cnc3C)CC2)c(OC)c1OC ZINC000020535863 539675909 /nfs/dbraw/zinc/67/59/09/539675909.db2.gz MHFZTZOIOIAVPX-UHFFFAOYSA-N 1 2 372.469 2.441 50 0 FEAALO O=C1c2ccccc2N[C@H](c2ccccn2)N1CCC[NH+]1CCOCC1 ZINC000020421650 539674362 /nfs/dbraw/zinc/67/43/62/539674362.db2.gz JGQRSSVDUOJHQV-IBGZPJMESA-N 1 2 352.438 2.370 50 0 FEAALO O=C(NCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)c1ccc2c(c1)OCO2 ZINC000023127763 539706660 /nfs/dbraw/zinc/70/66/60/539706660.db2.gz OXZQOTDBPPNFSL-LJQANCHMSA-N 1 2 354.406 2.219 50 0 FEAALO O=C(NCC[N@H+]1CCO[C@@H](c2ccccc2)C1)c1ccc2c(c1)OCO2 ZINC000023127763 539706662 /nfs/dbraw/zinc/70/66/62/539706662.db2.gz OXZQOTDBPPNFSL-LJQANCHMSA-N 1 2 354.406 2.219 50 0 FEAALO O=C(C[NH+]1CCN(Cc2csc(-c3cccs3)n2)CC1)NC1CC1 ZINC000023249353 539710256 /nfs/dbraw/zinc/71/02/56/539710256.db2.gz KSTBHDBQQJESAT-UHFFFAOYSA-N 1 2 362.524 2.268 50 0 FEAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cnc2ccccc2n1 ZINC000023956204 539722327 /nfs/dbraw/zinc/72/23/27/539722327.db2.gz UMTYEJQSDBSHGA-UHFFFAOYSA-N 1 2 362.433 2.392 50 0 FEAALO O=C([C@@H]1Cc2ccccc2O1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000025105331 539748684 /nfs/dbraw/zinc/74/86/84/539748684.db2.gz ADXPEABRPITELT-NRFANRHFSA-N 1 2 364.445 2.269 50 0 FEAALO COC(=O)c1ccc(CNC(=O)NCCc2cn3ccccc3[nH+]2)cc1 ZINC000026287429 539782088 /nfs/dbraw/zinc/78/20/88/539782088.db2.gz UUSBAMQGGAQCIK-UHFFFAOYSA-N 1 2 352.394 2.163 50 0 FEAALO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)N1CCc2ccccc2C1 ZINC000026383590 539785826 /nfs/dbraw/zinc/78/58/26/539785826.db2.gz IWLOEPJDYQGEFH-UHFFFAOYSA-N 1 2 352.438 2.186 50 0 FEAALO C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000029987193 539871451 /nfs/dbraw/zinc/87/14/51/539871451.db2.gz SAUVAMJFSRFSGX-WFASDCNBSA-N 1 2 360.433 2.316 50 0 FEAALO O=C(c1ccc2c(c1)OCC(=O)N2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000030542017 539885218 /nfs/dbraw/zinc/88/52/18/539885218.db2.gz NSUHJGDREWVTCA-UHFFFAOYSA-N 1 2 357.435 2.037 50 0 FEAALO C[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000032841811 539956181 /nfs/dbraw/zinc/95/61/81/539956181.db2.gz DLCHFXXOLTYCPC-YJBOKZPZSA-N 1 2 362.433 2.444 50 0 FEAALO C[NH+]1CCN(C(=O)CSc2nccnc2Sc2ccccc2)CC1 ZINC000033288865 539973151 /nfs/dbraw/zinc/97/31/51/539973151.db2.gz WAWMKYIHAOUCIM-UHFFFAOYSA-N 1 2 360.508 2.494 50 0 FEAALO O=S(=O)(NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1)c1cccs1 ZINC000036700213 539993015 /nfs/dbraw/zinc/99/30/15/539993015.db2.gz KGMDPYBILAFNNQ-INIZCTEOSA-N 1 2 366.508 2.490 50 0 FEAALO O=S(=O)(NCCC[N@H+]1CCO[C@H](c2ccccc2)C1)c1cccs1 ZINC000036700213 539993017 /nfs/dbraw/zinc/99/30/17/539993017.db2.gz KGMDPYBILAFNNQ-INIZCTEOSA-N 1 2 366.508 2.490 50 0 FEAALO Cc1cccc(Cc2cnc(NC(=O)C[NH+]3CCC(C(N)=O)CC3)s2)c1 ZINC000040007934 540004050 /nfs/dbraw/zinc/00/40/50/540004050.db2.gz FQFYZIBRQSGGJH-UHFFFAOYSA-N 1 2 372.494 2.178 50 0 FEAALO Cc1nc(CSCC(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000040087305 540005444 /nfs/dbraw/zinc/00/54/44/540005444.db2.gz HREUTQOEEYKBQP-RWMBFGLXSA-N 1 2 357.545 2.299 50 0 FEAALO Cc1nc(CSCC(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000040087305 540005446 /nfs/dbraw/zinc/00/54/46/540005446.db2.gz HREUTQOEEYKBQP-RWMBFGLXSA-N 1 2 357.545 2.299 50 0 FEAALO C[C@H](Cn1cc[nH+]c1)NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000040092410 540006040 /nfs/dbraw/zinc/00/60/40/540006040.db2.gz VZKOILFQWUYVPT-ZIUDEIKKSA-N 1 2 358.486 2.111 50 0 FEAALO C[C@H]1C[C@H]1C(=O)NCCC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000040122106 540007656 /nfs/dbraw/zinc/00/76/56/540007656.db2.gz TYTDZXFQFWFDRR-DOTOQJQBSA-N 1 2 358.486 2.241 50 0 FEAALO O=C(c1cn(-c2cccc(F)c2)nn1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000044168142 540119021 /nfs/dbraw/zinc/11/90/21/540119021.db2.gz MPJAXWFCBVASLU-UHFFFAOYSA-N 1 2 365.412 2.364 50 0 FEAALO O=C(C[NH+]1CCN(c2cnc3ccccc3n2)CC1)N1CCc2ccccc21 ZINC000052357503 540463890 /nfs/dbraw/zinc/46/38/90/540463890.db2.gz QADQQDQGFRABMK-UHFFFAOYSA-N 1 2 373.460 2.341 50 0 FEAALO COc1ccc(CNC(=O)[C@@H](C)Sc2nc(N)cc(C)[nH+]2)cc1OC ZINC000007177473 219794071 /nfs/dbraw/zinc/79/40/71/219794071.db2.gz NKQJYGSZXCFQRV-LLVKDONJSA-N 1 2 362.455 2.181 50 0 FEAALO COC(=O)CNC(=O)c1c(C)oc2c1C[N@H+](Cc1ccc(OC)cc1)CC2 ZINC000065289727 541233888 /nfs/dbraw/zinc/23/38/88/541233888.db2.gz KZCRGAUEMQGEJW-UHFFFAOYSA-N 1 2 372.421 2.058 50 0 FEAALO COC(=O)CNC(=O)c1c(C)oc2c1C[N@@H+](Cc1ccc(OC)cc1)CC2 ZINC000065289727 541233891 /nfs/dbraw/zinc/23/38/91/541233891.db2.gz KZCRGAUEMQGEJW-UHFFFAOYSA-N 1 2 372.421 2.058 50 0 FEAALO CNC(=O)c1nc(C[N@@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)no1 ZINC000072147213 541788185 /nfs/dbraw/zinc/78/81/85/541788185.db2.gz WHRCNUDEFXJHBQ-TWOQFEAHSA-N 1 2 370.453 2.082 50 0 FEAALO CNC(=O)c1nc(C[N@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)no1 ZINC000072147213 541788189 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CC(=O)c1cc(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)[nH]n1 ZINC000019720652 220292579 /nfs/dbraw/zinc/29/25/79/220292579.db2.gz QSOJCKHUJXJWID-OAHLLOKOSA-N 1 2 358.417 2.488 50 0 FEAALO C[NH+]1CCN(C2=C(Cl)C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000019791768 220296606 /nfs/dbraw/zinc/29/66/06/220296606.db2.gz GOGCMGTXGBSALS-UHFFFAOYSA-N 1 2 373.762 2.276 50 0 FEAALO O=c1[nH]c(=O)n(Cc2ccccc2Cl)c2c1C[N@H+](C1CCCC1)CN2 ZINC000019939422 220307152 /nfs/dbraw/zinc/30/71/52/220307152.db2.gz HEHKGVZWRYYQRY-UHFFFAOYSA-N 1 2 360.845 2.366 50 0 FEAALO O=c1[nH]c(=O)n(Cc2ccccc2Cl)c2c1C[N@@H+](C1CCCC1)CN2 ZINC000019939422 220307154 /nfs/dbraw/zinc/30/71/54/220307154.db2.gz HEHKGVZWRYYQRY-UHFFFAOYSA-N 1 2 360.845 2.366 50 0 FEAALO COC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)CC1 ZINC000020638273 220338097 /nfs/dbraw/zinc/33/80/97/220338097.db2.gz LOADDIDBTWCIFG-HNNXBMFYSA-N 1 2 364.829 2.165 50 0 FEAALO Cc1ccc(CN2C[C@H](C(=O)N(C)CCCc3[nH+]ccn3C)CC2=O)cc1 ZINC000055254301 221063815 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CCC(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000054865632 221056764 /nfs/dbraw/zinc/05/67/64/221056764.db2.gz CFSJLMUYDOBOPZ-CLOLKSBNSA-N 1 2 369.509 2.493 50 0 FEAALO Cn1c(CCC(N)=O)nn(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)c1=S ZINC000057089819 221084265 /nfs/dbraw/zinc/08/42/65/221084265.db2.gz CKEYTMAHFFJHRH-INIZCTEOSA-N 1 2 371.510 2.478 50 0 FEAALO Cn1c(CCC(N)=O)nn(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)c1=S ZINC000057089819 221084268 /nfs/dbraw/zinc/08/42/68/221084268.db2.gz CKEYTMAHFFJHRH-INIZCTEOSA-N 1 2 371.510 2.478 50 0 FEAALO O=C(CCNC(=O)c1ccc(F)cc1F)N1CCC(n2cc[nH+]c2)CC1 ZINC000058166867 221102108 /nfs/dbraw/zinc/10/21/08/221102108.db2.gz RPEIMCFHHXVTHN-UHFFFAOYSA-N 1 2 362.380 2.145 50 0 FEAALO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1COc2ccccc2O1 ZINC000058178939 221103136 /nfs/dbraw/zinc/10/31/36/221103136.db2.gz IXUSAVVDPIIWNC-SFHVURJKSA-N 1 2 353.353 2.468 50 0 FEAALO CCOc1ccccc1NC(=O)c1cn(-c2cc(N(C)C)[nH+]cn2)cn1 ZINC000065240026 221184234 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CCC[C@@H](C(=O)N1CCc2c([nH+]c(N(C)C)nc2N(C)C)C1)n1cccc1 ZINC000071738598 221356845 /nfs/dbraw/zinc/35/68/45/221356845.db2.gz FGMQHCMRQJGLQM-KRWDZBQOSA-N 1 2 370.501 2.336 50 0 FEAALO O=S1(=O)CC[C@@H](Cn2cc[nH+]c2-c2cc3c(cc2Cl)OCO3)C1 ZINC000071763355 221369731 /nfs/dbraw/zinc/36/97/31/221369731.db2.gz WJANWBOPOGVUJY-JTQLQIEISA-N 1 2 354.815 2.367 50 0 FEAALO COc1ccc(C(=O)N2CCCC[C@H]2CCc2[nH+]ccn2C)c(OC)n1 ZINC000082107318 542684315 /nfs/dbraw/zinc/68/43/15/542684315.db2.gz MSQBYZXZJKMJPP-AWEZNQCLSA-N 1 2 358.442 2.460 50 0 FEAALO Cc1cc(N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)nc[nH+]1 ZINC000077200578 132178664 /nfs/dbraw/zinc/17/86/64/132178664.db2.gz OSPQCSKRFZLJOU-UHFFFAOYSA-N 1 2 370.837 2.088 50 0 FEAALO CCn1nc(C)c(CCNC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)c1C ZINC000096179803 132221807 /nfs/dbraw/zinc/22/18/07/132221807.db2.gz DQRAVGHZAVVVLN-QGZVFWFLSA-N 1 2 355.486 2.490 50 0 FEAALO C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000096236600 132223341 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COC(=O)c1ccc(NC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000055231599 136126166 /nfs/dbraw/zinc/12/61/66/136126166.db2.gz PCULSFFWNZESOG-UHFFFAOYSA-N 1 2 371.412 2.373 50 0 FEAALO Cc1ccc(Cl)cc1N1CC[NH+]([C@H](C)C(=O)NC(=O)NC(C)C)CC1 ZINC000057358707 136128731 /nfs/dbraw/zinc/12/87/31/136128731.db2.gz YQWMWFYTTQHHAH-CQSZACIVSA-N 1 2 366.893 2.393 50 0 FEAALO CCn1cc(C[NH+]2CCN(c3nc(C)cc(C(F)(F)F)n3)CC2)cn1 ZINC000072157230 136143186 /nfs/dbraw/zinc/14/31/86/136143186.db2.gz BKCGXIPUQJURSW-UHFFFAOYSA-N 1 2 354.380 2.342 50 0 FEAALO CCOC(=O)c1ccc(N2CCN(Cc3[nH+]ccn3C(C)C)CC2)nc1 ZINC000072271294 136143921 /nfs/dbraw/zinc/14/39/21/136143921.db2.gz GRQKWYSUIRAUNA-UHFFFAOYSA-N 1 2 357.458 2.358 50 0 FEAALO c1cc2c(ncnc2N2CCn3nc(C[NH+]4CCSCC4)cc3C2)s1 ZINC000072410196 136145443 /nfs/dbraw/zinc/14/54/43/136145443.db2.gz UJQIMTJMCPZXJM-UHFFFAOYSA-N 1 2 372.523 2.457 50 0 FEAALO Cn1cc[nH+]c1[C@H](NC(=O)C1CCN(C(=O)C2CCCC2)CC1)C1CC1 ZINC000095361729 542960293 /nfs/dbraw/zinc/96/02/93/542960293.db2.gz 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CSc1ccccc1C(=O)N1CCC(c2[nH+]ccn2CC(N)=O)CC1 ZINC000095521964 542980152 /nfs/dbraw/zinc/98/01/52/542980152.db2.gz DQTYYEVRASZNJR-UHFFFAOYSA-N 1 2 358.467 2.110 50 0 FEAALO CC(C)[N@H+](C)Cc1nnnn1CC(=O)NCc1ccc2sccc2c1 ZINC000095528357 542982006 /nfs/dbraw/zinc/98/20/06/542982006.db2.gz JHYFJWXFEVBFBR-UHFFFAOYSA-N 1 2 358.471 2.044 50 0 FEAALO CC(C)[N@@H+](C)Cc1nnnn1CC(=O)NCc1ccc2sccc2c1 ZINC000095528357 542982009 /nfs/dbraw/zinc/98/20/09/542982009.db2.gz JHYFJWXFEVBFBR-UHFFFAOYSA-N 1 2 358.471 2.044 50 0 FEAALO Cc1cccc(-c2noc(CNC(=O)CC3=CSC4=[NH+]CCN34)n2)c1 ZINC000102794307 543080765 /nfs/dbraw/zinc/08/07/65/543080765.db2.gz FULYDCGPQDHFNZ-UHFFFAOYSA-N 1 2 355.423 2.311 50 0 FEAALO CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C)CC[N@@H+]1C[C@@H](C)O ZINC000122761742 543722237 /nfs/dbraw/zinc/72/22/37/543722237.db2.gz KAAPESZFLDDAKW-HIFRSBDPSA-N 1 2 360.907 2.114 50 0 FEAALO CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C)CC[N@H+]1C[C@@H](C)O ZINC000122761742 543722241 /nfs/dbraw/zinc/72/22/41/543722241.db2.gz KAAPESZFLDDAKW-HIFRSBDPSA-N 1 2 360.907 2.114 50 0 FEAALO CC(C)(C)c1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)s1 ZINC000122150276 543703983 /nfs/dbraw/zinc/70/39/83/543703983.db2.gz JVUGUEABBGHEQT-CYBMUJFWSA-N 1 2 358.529 2.187 50 0 FEAALO CC(C)(C)c1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)s1 ZINC000122150276 543703986 /nfs/dbraw/zinc/70/39/86/543703986.db2.gz JVUGUEABBGHEQT-CYBMUJFWSA-N 1 2 358.529 2.187 50 0 FEAALO CC[N@@H+]1CCNC(=O)[C@@H]1Cc1nc(-c2ccncc2)nn1C1CCCCC1 ZINC000096133292 222039549 /nfs/dbraw/zinc/03/95/49/222039549.db2.gz COGVIPRBRTWUDR-KRWDZBQOSA-N 1 2 368.485 2.208 50 0 FEAALO CC[N@H+]1CCNC(=O)[C@@H]1Cc1nc(-c2ccncc2)nn1C1CCCCC1 ZINC000096133292 222039551 /nfs/dbraw/zinc/03/95/51/222039551.db2.gz COGVIPRBRTWUDR-KRWDZBQOSA-N 1 2 368.485 2.208 50 0 FEAALO CCn1c(C[NH+](C)C)nnc1C1CCN(C(=O)c2cc(C(C)C)on2)CC1 ZINC000096140456 222045000 /nfs/dbraw/zinc/04/50/00/222045000.db2.gz LLQKHOXIUDBYJJ-UHFFFAOYSA-N 1 2 374.489 2.491 50 0 FEAALO CC[C@@H](NC(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1)c1[nH]cc(C)[nH+]1 ZINC000096152119 222053083 /nfs/dbraw/zinc/05/30/83/222053083.db2.gz UETDQEHYQZRQHM-CQSZACIVSA-N 1 2 370.413 2.389 50 0 FEAALO C/C=C(\C)C[N@H+]1C[C@@H](NC(=O)c2ccc(F)c(F)c2)C[C@H]1C(=O)NCC ZINC000096165089 222064699 /nfs/dbraw/zinc/06/46/99/222064699.db2.gz QAWBAIMIYCZFFK-FJACNZAWSA-N 1 2 365.424 2.240 50 0 FEAALO C/C=C(\C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(F)c(F)c2)C[C@H]1C(=O)NCC ZINC000096165089 222064703 /nfs/dbraw/zinc/06/47/03/222064703.db2.gz QAWBAIMIYCZFFK-FJACNZAWSA-N 1 2 365.424 2.240 50 0 FEAALO COc1ccc(CN2CC[NH+](CC(=O)N3CCCC3)CC2)c(Cl)c1 ZINC000096993928 222147708 /nfs/dbraw/zinc/14/77/08/222147708.db2.gz AMOMRKWTUXETDZ-UHFFFAOYSA-N 1 2 351.878 2.089 50 0 FEAALO O=C(C[N@@H+]1CCCN(C(=O)c2cc3c(s2)CCC3)CC1)N1CCCC1 ZINC000097211778 222168475 /nfs/dbraw/zinc/16/84/75/222168475.db2.gz HFFSCNWDSAAFHE-UHFFFAOYSA-N 1 2 361.511 2.007 50 0 FEAALO O=C(C[N@H+]1CCCN(C(=O)c2cc3c(s2)CCC3)CC1)N1CCCC1 ZINC000097211778 222168477 /nfs/dbraw/zinc/16/84/77/222168477.db2.gz HFFSCNWDSAAFHE-UHFFFAOYSA-N 1 2 361.511 2.007 50 0 FEAALO O=c1[nH]c(=O)n(-c2ccccc2Cl)c(O)c1[C@@H]1[NH2+]CCc2ccccc21 ZINC000100750670 222252108 /nfs/dbraw/zinc/25/21/08/222252108.db2.gz ZGZVEJMSZMWYHP-MRXNPFEDSA-N 1 2 369.808 2.120 50 0 FEAALO COc1cc(CN2CC[N@H+](Cc3cccnc3)C[C@H]2CCO)cc(OC)c1 ZINC000104481204 222358453 /nfs/dbraw/zinc/35/84/53/222358453.db2.gz CGISDTKFILCPMZ-LJQANCHMSA-N 1 2 371.481 2.168 50 0 FEAALO COc1cc(CN2CC[N@@H+](Cc3cccnc3)C[C@H]2CCO)cc(OC)c1 ZINC000104481204 222358457 /nfs/dbraw/zinc/35/84/57/222358457.db2.gz CGISDTKFILCPMZ-LJQANCHMSA-N 1 2 371.481 2.168 50 0 FEAALO CC(C)[C@H](C(=O)Nc1ccc(N2CCNC2=O)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106142552 222383880 /nfs/dbraw/zinc/38/38/80/222383880.db2.gz SBYYRAXEEKWANK-RVKKMQEKSA-N 1 2 374.485 2.289 50 0 FEAALO CC(C)[C@H](C(=O)Nc1ccc(N2CCNC2=O)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106142552 222383885 /nfs/dbraw/zinc/38/38/85/222383885.db2.gz SBYYRAXEEKWANK-RVKKMQEKSA-N 1 2 374.485 2.289 50 0 FEAALO CC(=O)N1CCC(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000020161749 263379086 /nfs/dbraw/zinc/37/90/86/263379086.db2.gz DUVUEEXTBFMGNL-UHFFFAOYSA-N 1 2 363.889 2.243 50 0 FEAALO CNc1cc(N2CCC[C@H]2CNC(=O)N2Cc3ccccc3C2)nc[nH+]1 ZINC000173429593 327256325 /nfs/dbraw/zinc/25/63/25/327256325.db2.gz IGQVZRRSAUGMRW-INIZCTEOSA-N 1 2 352.442 2.213 50 0 FEAALO CNc1cc(N2CCC[C@H]2CNC(=O)N2Cc3ccccc3C2)[nH+]cn1 ZINC000173429593 327256327 /nfs/dbraw/zinc/25/63/27/327256327.db2.gz IGQVZRRSAUGMRW-INIZCTEOSA-N 1 2 352.442 2.213 50 0 FEAALO C[C@H](CCC(=O)NC1(c2cc(F)cc(F)c2)CC1)N1CC[NH+](C)CC1 ZINC000299770617 533791734 /nfs/dbraw/zinc/79/17/34/533791734.db2.gz XBABDUMJUPLPRT-CQSZACIVSA-N 1 2 351.441 2.486 50 0 FEAALO Cc1cccc(-n2cc(CNC(=O)CC[C@H](C)N3CC[NH+](C)CC3)cn2)c1 ZINC000299771975 534567170 /nfs/dbraw/zinc/56/71/70/534567170.db2.gz YNZFMQQTHHGSAN-SFHVURJKSA-N 1 2 369.513 2.213 50 0 FEAALO CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)C[N@H+](C)Cc1ccncc1 ZINC000082096295 522424828 /nfs/dbraw/zinc/42/48/28/522424828.db2.gz HCGFDHFQXBFYFN-LJQANCHMSA-N 1 2 352.482 2.498 50 0 FEAALO CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)C[N@@H+](C)Cc1ccncc1 ZINC000082096295 522424838 /nfs/dbraw/zinc/42/48/38/522424838.db2.gz HCGFDHFQXBFYFN-LJQANCHMSA-N 1 2 352.482 2.498 50 0 FEAALO CCn1c(C[NH+]2CCCC2)nnc1C1CCN(C(=O)c2cccn2C)CC1 ZINC000082121483 523188591 /nfs/dbraw/zinc/18/85/91/523188591.db2.gz XWXBYCTXKFTUGQ-UHFFFAOYSA-N 1 2 370.501 2.252 50 0 FEAALO C[C@H](C[NH+]1CCN(C)CC1)OC(=O)COc1ccc(Br)cc1 ZINC000020328336 524346705 /nfs/dbraw/zinc/34/67/05/524346705.db2.gz FIPQYVPSHGCNDX-CYBMUJFWSA-N 1 2 371.275 2.007 50 0 FEAALO Cc1cccc(N2CC[NH+](CC(=O)N(C)Cc3noc(C(C)C)n3)CC2)c1 ZINC000091602471 524551637 /nfs/dbraw/zinc/55/16/37/524551637.db2.gz IKLGHUZMNIHWPV-UHFFFAOYSA-N 1 2 371.485 2.282 50 0 FEAALO COc1ccccc1OC[C@H](O)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020726932 524683796 /nfs/dbraw/zinc/68/37/96/524683796.db2.gz YSQWVHVGQQWDNT-LJQANCHMSA-N 1 2 356.466 2.253 50 0 FEAALO CC(C)(C)OC(=O)NCC[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000095414116 534886089 /nfs/dbraw/zinc/88/60/89/534886089.db2.gz QHNZNIJBGNCJCM-UHFFFAOYSA-N 1 2 363.487 2.338 50 0 FEAALO O=C(c1c[nH]nc1-c1cccc(F)c1)N1CCC(O)(Cn2cc[nH+]c2)CC1 ZINC000091595962 526584518 /nfs/dbraw/zinc/58/45/18/526584518.db2.gz FPINFNXMJYDKPY-UHFFFAOYSA-N 1 2 369.400 2.080 50 0 FEAALO Cc1nc([C@H]2CCCN(C(=O)CCc3cn4ccccc4[nH+]3)C2)cc(=O)[nH]1 ZINC000082136785 527075066 /nfs/dbraw/zinc/07/50/66/527075066.db2.gz HAPMOBBNOAUSNP-HNNXBMFYSA-N 1 2 365.437 2.065 50 0 FEAALO NC(=O)c1cccc(C[C@@H]2CCN(C(=O)Cc3c[nH+]c4ccccn34)C2)c1 ZINC000091444980 527081823 /nfs/dbraw/zinc/08/18/23/527081823.db2.gz LUWPEHVJTTYRBB-INIZCTEOSA-N 1 2 362.433 2.067 50 0 FEAALO Cc1ncc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCC3)c2)s1 ZINC000084290654 527303839 /nfs/dbraw/zinc/30/38/39/527303839.db2.gz JYZHVRFUKIUQCT-UHFFFAOYSA-N 1 2 352.485 2.315 50 0 FEAALO O=C(NCc1cccc(COC2CCOCC2)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161594467 546131465 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FEAALO COc1cc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)cc(OC)c1OC ZINC000055456067 221070918 /nfs/dbraw/zinc/07/09/18/221070918.db2.gz RNWHFAKTVDWRPX-UHFFFAOYSA-N 1 2 371.437 2.065 50 0 FEAALO CN1CC[NH+](Cc2cccc(NC(=O)[C@H]3COc4ccccc4O3)c2)CC1 ZINC000057053991 221084032 /nfs/dbraw/zinc/08/40/32/221084032.db2.gz OECZJERHHRDGLQ-HXUWFJFHSA-N 1 2 367.449 2.213 50 0 FEAALO O=C(NCCOc1cccc(F)c1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000058209495 221107066 /nfs/dbraw/zinc/10/70/66/221107066.db2.gz DJRSNQVPBJTETA-UHFFFAOYSA-N 1 2 368.368 2.145 50 0 FEAALO Cc1ccc2nc(C[NH+]3CCN(C(=O)C4CCCCC4)CC3)cc(=O)n2c1 ZINC000058217513 221108618 /nfs/dbraw/zinc/10/86/18/221108618.db2.gz IUJZDMWXHOWIDG-UHFFFAOYSA-N 1 2 368.481 2.227 50 0 FEAALO Cn1nc(Br)c2c1nc[nH+]c2NC[C@@H](O)c1ccccc1F ZINC000060363099 221130109 /nfs/dbraw/zinc/13/01/09/221130109.db2.gz UZGYLSNQNOJERU-SNVBAGLBSA-N 1 2 366.194 2.410 50 0 FEAALO CC1CCN(C(=O)[C@@H]([NH2+]CC(=O)NCc2ccco2)c2ccccc2)CC1 ZINC000058305626 221114029 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NC(=O)c1cccnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000096444311 132225237 /nfs/dbraw/zinc/22/52/37/132225237.db2.gz MQJMNGJRSDLVOF-UHFFFAOYSA-N 1 2 360.845 2.035 50 0 FEAALO CCc1cc(N2CC[NH+](C[C@@H]3CC(c4ccccc4)=NO3)CC2)ncn1 ZINC000244787976 132290638 /nfs/dbraw/zinc/29/06/38/132290638.db2.gz QHFJPHFHJIVHTF-SFHVURJKSA-N 1 2 351.454 2.354 50 0 FEAALO CCOC(=O)c1cn(CC)c2cc(N3CC[NH+](C)CC3)c(F)cc2c1=O ZINC000000753680 132378301 /nfs/dbraw/zinc/37/83/01/132378301.db2.gz FEGDMGCSHVIWNR-UHFFFAOYSA-N 1 2 361.417 2.089 50 0 FEAALO O=C(CCNC(=O)c1ccc(Cl)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000003279197 132384966 /nfs/dbraw/zinc/38/49/66/132384966.db2.gz BPCJYZHFJNLRHZ-UHFFFAOYSA-N 1 2 372.856 2.204 50 0 FEAALO COc1ccc(F)cc1C[NH+]1CCC2(CC1)c1[nH]cnc1CCN2C(C)=O ZINC000091486628 542810482 /nfs/dbraw/zinc/81/04/82/542810482.db2.gz RONPRDRIKCMSTG-UHFFFAOYSA-N 1 2 372.444 2.453 50 0 FEAALO CN(C)C(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2nnc(-c3ccccc3)o2)C1 ZINC000091548367 542812560 /nfs/dbraw/zinc/81/25/60/542812560.db2.gz PSLVCSBFBORSCF-GDBMZVCRSA-N 1 2 355.442 2.314 50 0 FEAALO CN(C)C(=O)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2nnc(-c3ccccc3)o2)C1 ZINC000091548367 542812563 /nfs/dbraw/zinc/81/25/63/542812563.db2.gz PSLVCSBFBORSCF-GDBMZVCRSA-N 1 2 355.442 2.314 50 0 FEAALO COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2n[nH]c3ccccc32)C1 ZINC000091624996 542816671 /nfs/dbraw/zinc/81/66/71/542816671.db2.gz YGRLUCNJQDSOBM-CQSZACIVSA-N 1 2 353.426 2.426 50 0 FEAALO Cn1cc(C(=O)N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)cn1 ZINC000091747032 542823441 /nfs/dbraw/zinc/82/34/41/542823441.db2.gz NOWKUPRDCVGAMJ-UHFFFAOYSA-N 1 2 350.426 2.080 50 0 FEAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)CCn2c(=O)[nH]c3ccccc32)C1 ZINC000091754774 542824000 /nfs/dbraw/zinc/82/40/00/542824000.db2.gz HKIDFOKPCSBONW-HNNXBMFYSA-N 1 2 367.453 2.342 50 0 FEAALO O=C(c1ccc([C@H]2CCCO2)s1)N1CCC(O)(Cn2cc[nH+]c2)CC1 ZINC000091871465 542830440 /nfs/dbraw/zinc/83/04/40/542830440.db2.gz LZNMREDYKMLDEO-CQSZACIVSA-N 1 2 361.467 2.463 50 0 FEAALO Cn1cnnc1C[NH+]1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 ZINC000091943968 542833437 /nfs/dbraw/zinc/83/34/37/542833437.db2.gz BGVNSAXGPPAWFM-UHFFFAOYSA-N 1 2 353.470 2.220 50 0 FEAALO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cnc(-c2ccccn2)[nH]c1=O ZINC000091986444 542834677 /nfs/dbraw/zinc/83/46/77/542834677.db2.gz NPKKNTISARQMJZ-OAHLLOKOSA-N 1 2 366.425 2.285 50 0 FEAALO CCOC(=O)c1cccnc1NCc1ccc(N2CCC(CO)CC2)[nH+]c1 ZINC000048314369 136123402 /nfs/dbraw/zinc/12/34/02/136123402.db2.gz JGEYHIPRUCLGGO-UHFFFAOYSA-N 1 2 370.453 2.474 50 0 FEAALO O=C(CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)NC1CCCCC1 ZINC000058214902 136130981 /nfs/dbraw/zinc/13/09/81/136130981.db2.gz XAWGONJCLZOXLT-UHFFFAOYSA-N 1 2 373.501 2.320 50 0 FEAALO O=C(C[NH+]1CCN(c2ccnc3c(F)ccc(F)c23)CC1)N1CCCC1 ZINC000058296266 136131436 /nfs/dbraw/zinc/13/14/36/136131436.db2.gz VWNOCCGDFJNTIZ-UHFFFAOYSA-N 1 2 360.408 2.257 50 0 FEAALO O=C(CN1CCCc2cc(F)cc(F)c21)N1CCN(c2cccc[nH+]2)CC1 ZINC000026727167 136153189 /nfs/dbraw/zinc/15/31/89/136153189.db2.gz 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ZINC000095506936 542976437 /nfs/dbraw/zinc/97/64/37/542976437.db2.gz KEKDUBAKAZBKKD-JTQLQIEISA-N 1 2 352.847 2.103 50 0 FEAALO O=C(Cn1cc[nH+]c1-c1ccccc1)N1CCCO[C@H](Cn2cccn2)C1 ZINC000095515298 542978065 /nfs/dbraw/zinc/97/80/65/542978065.db2.gz PLCCBDRFZRHHDN-SFHVURJKSA-N 1 2 365.437 2.064 50 0 FEAALO COc1ccc(-c2nn3c(nc(C[NH+]4CCC(C)CC4)cc3=O)[nH]2)cc1 ZINC000101747581 543043720 /nfs/dbraw/zinc/04/37/20/543043720.db2.gz QRYPZBABHQYBRB-UHFFFAOYSA-N 1 2 353.426 2.325 50 0 FEAALO C[C@H](C(=O)N1CC[NH+](CCOc2ccccc2)CC1)n1cc(Cl)cn1 ZINC000095362496 221864812 /nfs/dbraw/zinc/86/48/12/221864812.db2.gz HWOWWRYGQLJAJT-OAHLLOKOSA-N 1 2 362.861 2.321 50 0 FEAALO Cc1nc(-c2ncc(C(=O)NCc3c[nH+]cn3C3CC3)c(=O)[nH]2)cs1 ZINC000096159862 222060466 /nfs/dbraw/zinc/06/04/66/222060466.db2.gz HETSGRRYUNWGEA-UHFFFAOYSA-N 1 2 356.411 2.076 50 0 FEAALO O=C(c1ccccc1-c1nn[nH]n1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000097574938 222194125 /nfs/dbraw/zinc/19/41/25/222194125.db2.gz QHQMQPSHMDIKIJ-RMKNXTFCSA-N 1 2 374.448 2.338 50 0 FEAALO Cc1[nH]c2ccc(NC(=O)NCc3csc(N4CCOCC4)n3)cc2[nH+]1 ZINC000097601000 222196714 /nfs/dbraw/zinc/19/67/14/222196714.db2.gz NRRMAHYKHCZCJP-UHFFFAOYSA-N 1 2 372.454 2.486 50 0 FEAALO Cc1[nH]nc(CCC(=O)NC2CC[NH+](Cc3cccc(O)c3)CC2)c1C ZINC000097759209 222211645 /nfs/dbraw/zinc/21/16/45/222211645.db2.gz OEZHNHZKIJWFMZ-UHFFFAOYSA-N 1 2 356.470 2.446 50 0 FEAALO C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N(Cc1cocn1)Cc1cocn1 ZINC000097775825 222213117 /nfs/dbraw/zinc/21/31/17/222213117.db2.gz XKCDXFKIBCZYRW-SFHVURJKSA-N 1 2 352.394 2.248 50 0 FEAALO C[N@H+]1Cc2ccccc2C[C@H]1C(=O)N(Cc1cocn1)Cc1cocn1 ZINC000097775825 222213118 /nfs/dbraw/zinc/21/31/18/222213118.db2.gz XKCDXFKIBCZYRW-SFHVURJKSA-N 1 2 352.394 2.248 50 0 FEAALO Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNC[C@H]1C[N@H+](C)CCO1 ZINC000105471799 222369263 /nfs/dbraw/zinc/36/92/63/222369263.db2.gz ZMMQZOMRIXNRSD-HNNXBMFYSA-N 1 2 352.841 2.393 50 0 FEAALO Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNC[C@H]1C[N@@H+](C)CCO1 ZINC000105471799 222369265 /nfs/dbraw/zinc/36/92/65/222369265.db2.gz ZMMQZOMRIXNRSD-HNNXBMFYSA-N 1 2 352.841 2.393 50 0 FEAALO CCCOc1ccc2c(c1)CC[N@H+]([C@H]1CCN(c3cnn(C)c3)C1=O)C2 ZINC000134521623 544311453 /nfs/dbraw/zinc/31/14/53/544311453.db2.gz XJEOQYDLHNXZFW-IBGZPJMESA-N 1 2 354.454 2.373 50 0 FEAALO CCCOc1ccc2c(c1)CC[N@@H+]([C@H]1CCN(c3cnn(C)c3)C1=O)C2 ZINC000134521623 544311454 /nfs/dbraw/zinc/31/14/54/544311454.db2.gz XJEOQYDLHNXZFW-IBGZPJMESA-N 1 2 354.454 2.373 50 0 FEAALO CC(C)c1ccc([C@H](C)NC(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000426494316 263608108 /nfs/dbraw/zinc/60/81/08/263608108.db2.gz OQKUZFHBDZTAHD-KRWDZBQOSA-N 1 2 370.501 2.490 50 0 FEAALO COCCn1cnnc1[C@@H](C)NC(=O)c1cccc(-c2cccc(N)[nH+]2)c1 ZINC000426683708 263657044 /nfs/dbraw/zinc/65/70/44/263657044.db2.gz DDKQBMNALSMEOK-CYBMUJFWSA-N 1 2 366.425 2.060 50 0 FEAALO O=C(N1CC[NH+](CCOc2ccccc2Cl)CC1)C1(O)CCCC1 ZINC000124092257 326447571 /nfs/dbraw/zinc/44/75/71/326447571.db2.gz RXOALWQEWSEERX-UHFFFAOYSA-N 1 2 352.862 2.168 50 0 FEAALO Cc1ncc(CN2CCN(C(=O)NCc3cn4c([nH+]3)CCCC4)CC2)s1 ZINC000264821672 329064599 /nfs/dbraw/zinc/06/45/99/329064599.db2.gz XYMVRXVSNMQVCY-UHFFFAOYSA-N 1 2 374.514 2.012 50 0 FEAALO CCOc1ncccc1C(=O)N1CCC[C@H](c2[nH+]ccn2CCOC)C1 ZINC000091626369 521613026 /nfs/dbraw/zinc/61/30/26/521613026.db2.gz GAIMPIIQXBJSRE-HNNXBMFYSA-N 1 2 358.442 2.343 50 0 FEAALO COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)CCc2c(C)nn(C)c2C)C1 ZINC000091644792 522139217 /nfs/dbraw/zinc/13/92/17/522139217.db2.gz HICFSMDFZCTNDG-KRWDZBQOSA-N 1 2 373.501 2.219 50 0 FEAALO COc1ccc(-c2cc(C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)[nH]n2)cc1 ZINC000091621165 523091723 /nfs/dbraw/zinc/09/17/23/523091723.db2.gz PTFBTZVJYVNKMQ-KRWDZBQOSA-N 1 2 370.453 2.022 50 0 FEAALO C[C@@H](C(=O)NCc1ccc[nH+]c1N1CCc2ccccc2C1)n1cncn1 ZINC000020208070 524215658 /nfs/dbraw/zinc/21/56/58/524215658.db2.gz WZORVSRRXQVNKR-HNNXBMFYSA-N 1 2 362.437 2.113 50 0 FEAALO CC(C)(C)c1cc(C[N@@H+]2CCn3nc(CNC(=O)C4CCC4)cc3C2)[nH]n1 ZINC000299788366 526754336 /nfs/dbraw/zinc/75/43/36/526754336.db2.gz RYXSCOPRWHUEJY-UHFFFAOYSA-N 1 2 370.501 2.336 50 0 FEAALO CC(C)(C)c1cc(C[N@H+]2CCn3nc(CNC(=O)C4CCC4)cc3C2)[nH]n1 ZINC000299788366 526754344 /nfs/dbraw/zinc/75/43/44/526754344.db2.gz RYXSCOPRWHUEJY-UHFFFAOYSA-N 1 2 370.501 2.336 50 0 FEAALO COc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)c(OC)c1 ZINC000055564294 536766676 /nfs/dbraw/zinc/76/66/76/536766676.db2.gz XNUGJMLRMVDPHY-UHFFFAOYSA-N 1 2 355.438 2.465 50 0 FEAALO C[C@@H]1C[NH+](C(C)(C)CNS(=O)(=O)CCc2cccs2)C[C@@H](C)O1 ZINC000170613303 546165480 /nfs/dbraw/zinc/16/54/80/546165480.db2.gz QNWRRDWLXRWQGT-ZIAGYGMSSA-N 1 2 360.545 2.098 50 0 FEAALO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCO[C@H](Cc2ccccc2)C1 ZINC000179672799 546996074 /nfs/dbraw/zinc/99/60/74/546996074.db2.gz SXWIDEKSPBVCRT-RTBURBONSA-N 1 2 366.465 2.313 50 0 FEAALO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000184213427 547788192 /nfs/dbraw/zinc/78/81/92/547788192.db2.gz LXEBEVNDBDNDMP-LJQANCHMSA-N 1 2 356.470 2.032 50 0 FEAALO CCCC[N@H+]1CCOC[C@@H]1C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000184213427 547788195 /nfs/dbraw/zinc/78/81/95/547788195.db2.gz LXEBEVNDBDNDMP-LJQANCHMSA-N 1 2 356.470 2.032 50 0 FEAALO Cc1nc(N2CCN(Cc3nc(-c4ccccc4F)no3)CC2)cc[nH+]1 ZINC000189203577 548297765 /nfs/dbraw/zinc/29/77/65/548297765.db2.gz LHIAXHASSJMWLG-UHFFFAOYSA-N 1 2 354.389 2.296 50 0 FEAALO C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@H]2CCCc3c(O)cccc32)no1 ZINC000190259734 548320214 /nfs/dbraw/zinc/32/02/14/548320214.db2.gz MGZQJDGFNNCYKE-AWEZNQCLSA-N 1 2 358.442 2.308 50 0 FEAALO COc1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCCCC3)C2)cc1C(=O)[O-] ZINC000216312748 548677313 /nfs/dbraw/zinc/67/73/13/548677313.db2.gz SKRAGPPFTJZSCE-KRWDZBQOSA-N 1 2 362.470 2.470 50 0 FEAALO COc1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCCCC3)C2)cc1C(=O)[O-] ZINC000216312748 548677319 /nfs/dbraw/zinc/67/73/19/548677319.db2.gz SKRAGPPFTJZSCE-KRWDZBQOSA-N 1 2 362.470 2.470 50 0 FEAALO CCn1cc[nH+]c1CN(C)C(=O)CCCc1nc(-c2cccnc2)no1 ZINC000219009952 548691796 /nfs/dbraw/zinc/69/17/96/548691796.db2.gz VORHJHKSMBJTPH-UHFFFAOYSA-N 1 2 354.414 2.329 50 0 FEAALO Cc1[nH]c2ccc(CC(=O)N[C@@H](c3ccccn3)[C@H]3C[C@H](O)C3)cc2[nH+]1 ZINC000223014386 548713899 /nfs/dbraw/zinc/71/38/99/548713899.db2.gz NVIKRSBHOOUIGF-QEEYODRMSA-N 1 2 350.422 2.437 50 0 FEAALO Cc1[nH]c2cc(CC(=O)N[C@@H](c3ccccn3)[C@H]3C[C@H](O)C3)ccc2[nH+]1 ZINC000223014386 548713906 /nfs/dbraw/zinc/71/39/06/548713906.db2.gz NVIKRSBHOOUIGF-QEEYODRMSA-N 1 2 350.422 2.437 50 0 FEAALO CC[C@H](O)c1cc2n(n1)CC[N@H+](Cc1cc(=O)n3cc(Cl)ccc3n1)C2 ZINC000222989480 548714292 /nfs/dbraw/zinc/71/42/92/548714292.db2.gz NCEGSNDBNISQMX-INIZCTEOSA-N 1 2 373.844 2.004 50 0 FEAALO CC[C@H](O)c1cc2n(n1)CC[N@@H+](Cc1cc(=O)n3cc(Cl)ccc3n1)C2 ZINC000222989480 548714297 /nfs/dbraw/zinc/71/42/97/548714297.db2.gz NCEGSNDBNISQMX-INIZCTEOSA-N 1 2 373.844 2.004 50 0 FEAALO CC(C)[C@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)c1[nH]cc[nH+]1 ZINC000241969585 548885609 /nfs/dbraw/zinc/88/56/09/548885609.db2.gz UXPGKPPYSHVILX-AWEZNQCLSA-N 1 2 371.484 2.026 50 0 FEAALO O=C(C[NH+]1CCC2(CC1)OCCC[C@H]2O)Nc1ccc(Cl)cc1F ZINC000244659844 548891416 /nfs/dbraw/zinc/89/14/16/548891416.db2.gz HJVBVESJRNMVAK-OAHLLOKOSA-N 1 2 356.825 2.424 50 0 FEAALO CN1C(=O)C[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC12CCOCC2 ZINC000257176341 549711580 /nfs/dbraw/zinc/71/15/80/549711580.db2.gz SHPCZLHIXVBPCV-UHFFFAOYSA-N 1 2 358.360 2.408 50 0 FEAALO CN1C(=O)C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC12CCOCC2 ZINC000257176341 549711581 /nfs/dbraw/zinc/71/15/81/549711581.db2.gz SHPCZLHIXVBPCV-UHFFFAOYSA-N 1 2 358.360 2.408 50 0 FEAALO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc3n(n2)CCO3)[C@@H](C)C1 ZINC000291619916 552643977 /nfs/dbraw/zinc/64/39/77/552643977.db2.gz ROSLYDJTGKRORB-HNNXBMFYSA-N 1 2 370.453 2.021 50 0 FEAALO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc3n(n2)CCO3)[C@@H](C)C1 ZINC000291619916 552643979 /nfs/dbraw/zinc/64/39/79/552643979.db2.gz ROSLYDJTGKRORB-HNNXBMFYSA-N 1 2 370.453 2.021 50 0 FEAALO O=C(c1cncc(-n2ccnn2)c1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000374816221 557935660 /nfs/dbraw/zinc/93/56/60/557935660.db2.gz RDWRVVJTSLHOHC-QGZVFWFLSA-N 1 2 368.828 2.102 50 0 FEAALO C[NH+]1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCc3ccccc3C2)CC1 ZINC000521395822 562175547 /nfs/dbraw/zinc/17/55/47/562175547.db2.gz GNJGHGVFVKEINC-NRFANRHFSA-N 1 2 373.497 2.213 50 0 FEAALO Cc1nn(-c2cccc(C(=O)NCCc3c[nH+]c[nH]3)c2)c(=O)c2ccccc12 ZINC000426634276 559739284 /nfs/dbraw/zinc/73/92/84/559739284.db2.gz NGPUIYJFJQKDFY-UHFFFAOYSA-N 1 2 373.416 2.390 50 0 FEAALO Cc1nn(-c2cccc(C(=O)NCCc3c[nH]c[nH+]3)c2)c(=O)c2ccccc12 ZINC000426634276 559739285 /nfs/dbraw/zinc/73/92/85/559739285.db2.gz NGPUIYJFJQKDFY-UHFFFAOYSA-N 1 2 373.416 2.390 50 0 FEAALO Cn1cc[nH+]c1-c1ccccc1C(=O)NCCc1noc(C(F)(F)F)n1 ZINC000426633813 559739338 /nfs/dbraw/zinc/73/93/38/559739338.db2.gz GPLYGCOTOYUYIM-UHFFFAOYSA-N 1 2 365.315 2.461 50 0 FEAALO Cc1ccc(CN(Cc2ccncc2)C(=O)NC[C@@H]2C[N@H+](C)CCO2)s1 ZINC000534574474 562537110 /nfs/dbraw/zinc/53/71/10/562537110.db2.gz VAPWJGKTQDMLKK-QGZVFWFLSA-N 1 2 374.510 2.494 50 0 FEAALO Cc1ccc(CN(Cc2ccncc2)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)s1 ZINC000534574474 562537111 /nfs/dbraw/zinc/53/71/11/562537111.db2.gz VAPWJGKTQDMLKK-QGZVFWFLSA-N 1 2 374.510 2.494 50 0 FEAALO C[N@@H+]1CCO[C@@H](CNC(=O)N(Cc2nccs2)Cc2ccccc2)C1 ZINC000534585816 562537363 /nfs/dbraw/zinc/53/73/63/562537363.db2.gz IXOGAQHUGMEIMK-INIZCTEOSA-N 1 2 360.483 2.186 50 0 FEAALO C[N@H+]1CCO[C@@H](CNC(=O)N(Cc2nccs2)Cc2ccccc2)C1 ZINC000534585816 562537364 /nfs/dbraw/zinc/53/73/64/562537364.db2.gz IXOGAQHUGMEIMK-INIZCTEOSA-N 1 2 360.483 2.186 50 0 FEAALO CC[C@@H](CNC(=O)N(C)Cc1ccc2ccccc2n1)[NH+]1CCOCC1 ZINC000534634730 562538703 /nfs/dbraw/zinc/53/87/03/562538703.db2.gz PISLUHOJLAUUIT-SFHVURJKSA-N 1 2 356.470 2.487 50 0 FEAALO C[C@@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)N[C@@H]2CCCCNC2=O)C2CC2)o1 ZINC000046037289 570922167 /nfs/dbraw/zinc/92/21/67/570922167.db2.gz QVDNFZTVDPAIEJ-KBRIMQKVSA-N 1 2 359.470 2.152 50 0 FEAALO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)N[C@@H]2CCCCNC2=O)C2CC2)o1 ZINC000046037289 570922170 /nfs/dbraw/zinc/92/21/70/570922170.db2.gz QVDNFZTVDPAIEJ-KBRIMQKVSA-N 1 2 359.470 2.152 50 0 FEAALO CC[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cc(OC)c(Cl)cc1OC ZINC000670472277 571050079 /nfs/dbraw/zinc/05/00/79/571050079.db2.gz VDKDRTUEQWONFH-NSHDSACASA-N 1 2 373.862 2.311 50 0 FEAALO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000084367711 571083710 /nfs/dbraw/zinc/08/37/10/571083710.db2.gz XNDFVUJMYPSXFX-MRXNPFEDSA-N 1 2 358.873 2.443 50 0 FEAALO CCOC(=O)N1CCC([N@@H+]2CCN(CC(C)(C)C)[C@H](CCO)C2)CC1 ZINC000039404875 571089239 /nfs/dbraw/zinc/08/92/39/571089239.db2.gz ATNAUFJFCLROAS-QGZVFWFLSA-N 1 2 355.523 2.022 50 0 FEAALO CCOC(=O)N1CCC([N@H+]2CCN(CC(C)(C)C)[C@H](CCO)C2)CC1 ZINC000039404875 571089242 /nfs/dbraw/zinc/08/92/42/571089242.db2.gz ATNAUFJFCLROAS-QGZVFWFLSA-N 1 2 355.523 2.022 50 0 FEAALO COc1ccccc1COC[C@H](O)Cn1c2ccccc2[nH+]c1NCCO ZINC000046342379 571111360 /nfs/dbraw/zinc/11/13/60/571111360.db2.gz XMQZPWIMRAEAAF-MRXNPFEDSA-N 1 2 371.437 2.027 50 0 FEAALO Cc1cc2[nH]c(CCNC(=O)N3CCC4(CNC(=O)O4)CC3)[nH+]c2cc1C ZINC000426397364 571219573 /nfs/dbraw/zinc/21/95/73/571219573.db2.gz IMJUNGJYJDYEFY-UHFFFAOYSA-N 1 2 371.441 2.006 50 0 FEAALO Cc1cc(C)n(CCNC(=O)CCc2[nH]c3cc(C)c(C)cc3[nH+]2)c(=O)n1 ZINC000426407569 571221255 /nfs/dbraw/zinc/22/12/55/571221255.db2.gz NSNQBCLVOJHBJH-UHFFFAOYSA-N 1 2 367.453 2.102 50 0 FEAALO Cc1nc(N2CCN(Cc3ccccc3F)C(=O)C2)cc([C@H]2CCOC2)[nH+]1 ZINC000426420140 571222837 /nfs/dbraw/zinc/22/28/37/571222837.db2.gz OQWRELFYRGVBBL-INIZCTEOSA-N 1 2 370.428 2.277 50 0 FEAALO CCn1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(=O)c2ccc(C)nc21 ZINC000426420396 571222992 /nfs/dbraw/zinc/22/29/92/571222992.db2.gz RQZYLYCIGDNHND-AWEZNQCLSA-N 1 2 365.437 2.468 50 0 FEAALO Cc1cc(C)c(S(=O)(=O)NCc2c[nH+]cn2CC(C)C)c2nonc21 ZINC000670468125 571359057 /nfs/dbraw/zinc/35/90/57/571359057.db2.gz SDCQGARXVPJNOL-UHFFFAOYSA-N 1 2 363.443 2.171 50 0 FEAALO