smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(CCCF)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000159627774 495774037 /nfs/dbraw/zinc/77/40/37/495774037.db2.gz HZTGFYWKAMQJPK-UHFFFAOYSA-N 1 2 374.481 3.063 20 70 FGIDLO C[C@H](NC(=O)Nc1cccc(N2CCC(C)CC2)c1)[C@H](C)[NH+]1CCOCC1 ZINC000159720169 495794041 /nfs/dbraw/zinc/79/40/41/495794041.db2.gz YFYKIXUEGNUSPU-ROUUACIJSA-N 1 2 374.529 3.154 20 70 FGIDLO CCOc1cccc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000159799547 495812147 /nfs/dbraw/zinc/81/21/47/495812147.db2.gz NHCAEIYAWCBPAI-QGZVFWFLSA-N 1 2 368.481 3.069 20 70 FGIDLO COC(=O)CN(Cc1c(C)[nH+]c2ccccn21)Cc1ccc(F)c(F)c1 ZINC000160272276 495925020 /nfs/dbraw/zinc/92/50/20/495925020.db2.gz VGPHEMHCTKWVKW-UHFFFAOYSA-N 1 2 359.376 3.096 20 70 FGIDLO CCOc1ccc(OCC)c(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000160290262 495928137 /nfs/dbraw/zinc/92/81/37/495928137.db2.gz GYXNVMMECGLFQM-HNNXBMFYSA-N 1 2 370.453 3.279 20 70 FGIDLO O=C(Nc1cccc(N2CCCC2)c1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000160355746 495943493 /nfs/dbraw/zinc/94/34/93/495943493.db2.gz ZRDDKBOADDUILY-GOSISDBHSA-N 1 2 365.481 3.472 20 70 FGIDLO Cc1cc(N)nc(S[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)[nH+]1 ZINC000160425310 495960455 /nfs/dbraw/zinc/96/04/55/495960455.db2.gz VQTQEXLBUXALJG-LBPRGKRZSA-N 1 2 352.822 3.057 20 70 FGIDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000160454368 495966170 /nfs/dbraw/zinc/96/61/70/495966170.db2.gz VXKPCIBMUQSXFD-GFCCVEGCSA-N 1 2 368.264 3.068 20 70 FGIDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000160454368 495966174 /nfs/dbraw/zinc/96/61/74/495966174.db2.gz VXKPCIBMUQSXFD-GFCCVEGCSA-N 1 2 368.264 3.068 20 70 FGIDLO CC1(C)C[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)c2ccccc21 ZINC000160838727 496052482 /nfs/dbraw/zinc/05/24/82/496052482.db2.gz XYVVPLSQOLHBOK-FQEVSTJZSA-N 1 2 364.493 3.331 20 70 FGIDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000160886577 496061031 /nfs/dbraw/zinc/06/10/31/496061031.db2.gz YRURLFPJLUXICN-LMCOJAPRSA-N 1 2 368.481 3.396 20 70 FGIDLO C[C@H]1CCN(C(=O)c2cccc(Nc3cnn(C)c3)c2)C[C@H]1n1cc[nH+]c1 ZINC000160967446 496076757 /nfs/dbraw/zinc/07/67/57/496076757.db2.gz AMSIQUQNUMIXEC-HNAYVOBHSA-N 1 2 364.453 3.084 20 70 FGIDLO O=C(NCC1(c2c(F)cccc2F)CCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161088086 496101274 /nfs/dbraw/zinc/10/12/74/496101274.db2.gz UBPJAUBCMUILEL-AWEZNQCLSA-N 1 2 359.420 3.352 20 70 FGIDLO O=C(N[C@@H]1CCCc2ccc(F)cc21)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161111554 496104715 /nfs/dbraw/zinc/10/47/15/496104715.db2.gz ROZMQOXZNMSCKL-HXUWFJFHSA-N 1 2 368.456 3.126 20 70 FGIDLO Cc1cccc(-c2cncc(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)c2)c1 ZINC000161404061 496169706 /nfs/dbraw/zinc/16/97/06/496169706.db2.gz XBNOSESHBRYINX-HXUWFJFHSA-N 1 2 358.445 3.461 20 70 FGIDLO Cc1cc(N(C)C)ccc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000161431837 496175575 /nfs/dbraw/zinc/17/55/75/496175575.db2.gz LTLJEPRLSMKIGO-MRXNPFEDSA-N 1 2 355.486 3.281 20 70 FGIDLO CNC(=O)c1cccc(CCC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)c1 ZINC000159387156 495721937 /nfs/dbraw/zinc/72/19/37/495721937.db2.gz CORDVGKYZDWUCV-UHFFFAOYSA-N 1 2 362.433 3.018 20 70 FGIDLO Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000159419973 495728486 /nfs/dbraw/zinc/72/84/86/495728486.db2.gz WVGBZZLQMNLKJQ-CJNGLKHVSA-N 1 2 360.527 3.487 20 70 FGIDLO C[C@H](c1ccccc1Br)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159437298 495733711 /nfs/dbraw/zinc/73/37/11/495733711.db2.gz ZRDXRRVPWWNPIF-CHWSQXEVSA-N 1 2 362.271 3.428 20 70 FGIDLO Cc1c[nH+]ccc1NS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000159611016 495769855 /nfs/dbraw/zinc/76/98/55/495769855.db2.gz GQZNRKMRJLTIQC-UHFFFAOYSA-N 1 2 370.272 3.019 20 70 FGIDLO c1cc(-c2noc(C[N@@H+]3CCO[C@@]4(CCc5ccccc54)C3)n2)cs1 ZINC000159611976 495769880 /nfs/dbraw/zinc/76/98/80/495769880.db2.gz YMHNORULHSBCCC-IBGZPJMESA-N 1 2 353.447 3.472 20 70 FGIDLO c1cc(-c2noc(C[N@H+]3CCO[C@@]4(CCc5ccccc54)C3)n2)cs1 ZINC000159611976 495769884 /nfs/dbraw/zinc/76/98/84/495769884.db2.gz YMHNORULHSBCCC-IBGZPJMESA-N 1 2 353.447 3.472 20 70 FGIDLO c1cc(-c2noc(C[N@@H+]3CCO[C@]4(CCc5ccccc54)C3)n2)cs1 ZINC000159611844 495770160 /nfs/dbraw/zinc/77/01/60/495770160.db2.gz YMHNORULHSBCCC-LJQANCHMSA-N 1 2 353.447 3.472 20 70 FGIDLO c1cc(-c2noc(C[N@H+]3CCO[C@]4(CCc5ccccc54)C3)n2)cs1 ZINC000159611844 495770162 /nfs/dbraw/zinc/77/01/62/495770162.db2.gz YMHNORULHSBCCC-LJQANCHMSA-N 1 2 353.447 3.472 20 70 FGIDLO COc1c(F)cc(NC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1F ZINC000159735472 495797691 /nfs/dbraw/zinc/79/76/91/495797691.db2.gz AVZZHYRDLSZGFJ-GFCCVEGCSA-N 1 2 362.380 3.159 20 70 FGIDLO Cc1cccc(C)c1-n1nnnc1C[N@@H+](CCc1nccs1)C(C)C ZINC000159834888 495820420 /nfs/dbraw/zinc/82/04/20/495820420.db2.gz KWUDNLORFIKRGJ-UHFFFAOYSA-N 1 2 356.499 3.189 20 70 FGIDLO Cc1cccc(C)c1-n1nnnc1C[N@H+](CCc1nccs1)C(C)C ZINC000159834888 495820422 /nfs/dbraw/zinc/82/04/22/495820422.db2.gz KWUDNLORFIKRGJ-UHFFFAOYSA-N 1 2 356.499 3.189 20 70 FGIDLO O=C(CCCSCC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000159876523 495830032 /nfs/dbraw/zinc/83/00/32/495830032.db2.gz WPHQBQKSNIIDOK-UHFFFAOYSA-N 1 2 372.328 3.477 20 70 FGIDLO CC[N@H+](Cc1c[nH]nc1-c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159886500 495832994 /nfs/dbraw/zinc/83/29/94/495832994.db2.gz ZAYOLNUVOFCULD-UHFFFAOYSA-N 1 2 359.433 3.335 20 70 FGIDLO CC[N@@H+](Cc1c[nH]nc1-c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159886500 495832998 /nfs/dbraw/zinc/83/29/98/495832998.db2.gz ZAYOLNUVOFCULD-UHFFFAOYSA-N 1 2 359.433 3.335 20 70 FGIDLO CCOc1cc(C[N@H+](CC)Cc2nc3ccccc3c(=O)[nH]2)ccc1OC ZINC000159892099 495833907 /nfs/dbraw/zinc/83/39/07/495833907.db2.gz CDCRYWGUCFFOIN-UHFFFAOYSA-N 1 2 367.449 3.353 20 70 FGIDLO CCOc1cc(C[N@@H+](CC)Cc2nc3ccccc3c(=O)[nH]2)ccc1OC ZINC000159892099 495833912 /nfs/dbraw/zinc/83/39/12/495833912.db2.gz CDCRYWGUCFFOIN-UHFFFAOYSA-N 1 2 367.449 3.353 20 70 FGIDLO O=C(Nc1ccccc1)[C@@H](SCC[NH+]1CCOCC1)c1ccccc1 ZINC000159920953 495841058 /nfs/dbraw/zinc/84/10/58/495841058.db2.gz LGUNNACQTPROHS-IBGZPJMESA-N 1 2 356.491 3.432 20 70 FGIDLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000159948572 495847843 /nfs/dbraw/zinc/84/78/43/495847843.db2.gz IIALZYZUKCCHEY-GUDVDZBRSA-N 1 2 370.518 3.177 20 70 FGIDLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000159948572 495847848 /nfs/dbraw/zinc/84/78/48/495847848.db2.gz IIALZYZUKCCHEY-GUDVDZBRSA-N 1 2 370.518 3.177 20 70 FGIDLO CC(C)Cn1ncc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1C1CC1 ZINC000159990333 495858686 /nfs/dbraw/zinc/85/86/86/495858686.db2.gz HKLPVZLHJBJMDM-QGZVFWFLSA-N 1 2 354.454 3.105 20 70 FGIDLO COc1cc(/C=C/C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1F ZINC000160059506 495874577 /nfs/dbraw/zinc/87/45/77/495874577.db2.gz MQGOVDBDTOBSSN-BVBGJJFLSA-N 1 2 357.429 3.062 20 70 FGIDLO CCOC(=O)NCCCC(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000160057973 495874775 /nfs/dbraw/zinc/87/47/75/495874775.db2.gz NTCOVGBOSNSISE-UHFFFAOYSA-N 1 2 370.453 3.351 20 70 FGIDLO O=C(Nc1ccccc1N1CCCC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160219134 495911571 /nfs/dbraw/zinc/91/15/71/495911571.db2.gz MOEOLGBZOXDHAG-INIZCTEOSA-N 1 2 351.454 3.082 20 70 FGIDLO COc1ccccc1[C@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1ccco1 ZINC000160566388 495993234 /nfs/dbraw/zinc/99/32/34/495993234.db2.gz DKBVHOIMSYHYEG-IBGZPJMESA-N 1 2 368.437 3.306 20 70 FGIDLO CC(C)C(=O)Nc1cccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000160574921 495994703 /nfs/dbraw/zinc/99/47/03/495994703.db2.gz NCQAPVWOWWFPPS-KRWDZBQOSA-N 1 2 367.453 3.077 20 70 FGIDLO C[C@H]1CCN(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000160886712 496061172 /nfs/dbraw/zinc/06/11/72/496061172.db2.gz YRURLFPJLUXICN-RNQOJCNYSA-N 1 2 368.481 3.396 20 70 FGIDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc([S@](C)=O)cc1 ZINC000160900331 496063158 /nfs/dbraw/zinc/06/31/58/496063158.db2.gz GNVJXLVNTBIEIZ-AREMUKBSSA-N 1 2 374.506 3.283 20 70 FGIDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc([S@](C)=O)cc1 ZINC000160900331 496063163 /nfs/dbraw/zinc/06/31/63/496063163.db2.gz GNVJXLVNTBIEIZ-AREMUKBSSA-N 1 2 374.506 3.283 20 70 FGIDLO C[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1cc(C(N)=O)cs1 ZINC000160905283 496064848 /nfs/dbraw/zinc/06/48/48/496064848.db2.gz NLKXBPMZSCRKKM-UHFFFAOYSA-N 1 2 372.277 3.224 20 70 FGIDLO C[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1cc(C(N)=O)cs1 ZINC000160905283 496064853 /nfs/dbraw/zinc/06/48/53/496064853.db2.gz NLKXBPMZSCRKKM-UHFFFAOYSA-N 1 2 372.277 3.224 20 70 FGIDLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1cccc2c1OCO2 ZINC000160940082 496071225 /nfs/dbraw/zinc/07/12/25/496071225.db2.gz MHKNPTPKIXNHEN-UHFFFAOYSA-N 1 2 362.813 3.148 20 70 FGIDLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1cccc2c1OCO2 ZINC000160940082 496071232 /nfs/dbraw/zinc/07/12/32/496071232.db2.gz MHKNPTPKIXNHEN-UHFFFAOYSA-N 1 2 362.813 3.148 20 70 FGIDLO C[C@H]1CC(=O)CC[C@@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000161006778 496084471 /nfs/dbraw/zinc/08/44/71/496084471.db2.gz RSJNFMZSBQYAFR-KSSFIOAISA-N 1 2 355.438 3.042 20 70 FGIDLO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3cccn3C(C)C)CC2)c1 ZINC000161047847 496092035 /nfs/dbraw/zinc/09/20/35/496092035.db2.gz URAVZHGWWSBQNT-UHFFFAOYSA-N 1 2 371.481 3.044 20 70 FGIDLO CC[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)c1nccs1 ZINC000161070367 496096405 /nfs/dbraw/zinc/09/64/05/496096405.db2.gz JYISZFRLEJYSPQ-RYUDHWBXSA-N 1 2 354.273 3.173 20 70 FGIDLO COc1ccc2cccc(CC(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)c2c1 ZINC000161475385 496182985 /nfs/dbraw/zinc/18/29/85/496182985.db2.gz XZIWJHONPHRWMJ-GOSISDBHSA-N 1 2 361.445 3.181 20 70 FGIDLO CC[C@H](c1nnc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)s1)c1ccccc1 ZINC000161478547 496184363 /nfs/dbraw/zinc/18/43/63/496184363.db2.gz PRRBWVUMMWQEQQ-CABCVRRESA-N 1 2 367.478 3.478 20 70 FGIDLO COc1cc(F)c(NC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)cc1OC ZINC000161497492 496186552 /nfs/dbraw/zinc/18/65/52/496186552.db2.gz MVJOETRZMKUQQN-ZDUSSCGKSA-N 1 2 374.416 3.028 20 70 FGIDLO CC(C)[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000159386178 495722218 /nfs/dbraw/zinc/72/22/18/495722218.db2.gz QCYRPJJYJRQXOG-OAQYLSRUSA-N 1 2 351.494 3.241 20 70 FGIDLO Cc1noc(C2CC[NH+]([C@@H]3CCCN(c4ccccc4Cl)C3=O)CC2)n1 ZINC000159495524 495745093 /nfs/dbraw/zinc/74/50/93/495745093.db2.gz RTHDMEOLIWUKGH-QGZVFWFLSA-N 1 2 374.872 3.406 20 70 FGIDLO O=C(Cc1c[nH]c2ccc(Cl)cc12)NCCc1cn2c([nH+]1)CCCC2 ZINC000159550737 495757121 /nfs/dbraw/zinc/75/71/21/495757121.db2.gz OHICXFQFJSQIAI-UHFFFAOYSA-N 1 2 356.857 3.256 20 70 FGIDLO Cc1cccc(C(C)(C)CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000159803361 495813570 /nfs/dbraw/zinc/81/35/70/495813570.db2.gz LFSKPYBVQONOMJ-UHFFFAOYSA-N 1 2 366.509 3.195 20 70 FGIDLO CCc1sc(-c2nnc(CSCC[NH+]3CCOCC3)o2)cc1C ZINC000159834627 495820682 /nfs/dbraw/zinc/82/06/82/495820682.db2.gz SGBYDLFNIGMYBK-UHFFFAOYSA-N 1 2 353.513 3.234 20 70 FGIDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c(OC)c1 ZINC000159850093 495824191 /nfs/dbraw/zinc/82/41/91/495824191.db2.gz MAAPYTWMSCLXSY-GOSISDBHSA-N 1 2 355.438 3.183 20 70 FGIDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(C)n2)c(OC)c1 ZINC000159850093 495824193 /nfs/dbraw/zinc/82/41/93/495824193.db2.gz MAAPYTWMSCLXSY-GOSISDBHSA-N 1 2 355.438 3.183 20 70 FGIDLO C[C@H](O)C[C@@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000160021733 495864936 /nfs/dbraw/zinc/86/49/36/495864936.db2.gz WAESCNJJPFPVQS-UWJYYQICSA-N 1 2 363.461 3.216 20 70 FGIDLO C[C@H](O)C[C@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000160021996 495866462 /nfs/dbraw/zinc/86/64/62/495866462.db2.gz WAESCNJJPFPVQS-LAUBAEHRSA-N 1 2 363.461 3.216 20 70 FGIDLO C[C@@H](SCC[NH+]1CCOCC1)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000160035618 495868348 /nfs/dbraw/zinc/86/83/48/495868348.db2.gz PENVLTKYEWQYJN-CYBMUJFWSA-N 1 2 367.902 3.440 20 70 FGIDLO Cc1nc(C)c(-c2csc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)n2)s1 ZINC000160066285 495876029 /nfs/dbraw/zinc/87/60/29/495876029.db2.gz GEVDLBDPOIDMAB-NSHDSACASA-N 1 2 359.480 3.281 20 70 FGIDLO CC[C@H](C)[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1nc2ccccc2[nH]1 ZINC000160215348 495911910 /nfs/dbraw/zinc/91/19/10/495911910.db2.gz ODBDWZLSNMRNDY-IYOUNJFTSA-N 1 2 351.454 3.225 20 70 FGIDLO COc1ccc(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)c(OC)c1OC ZINC000160377888 495948940 /nfs/dbraw/zinc/94/89/40/495948940.db2.gz KJSFFCMMSUUNCM-RUZDIDTESA-N 1 2 363.479 3.082 20 70 FGIDLO COc1ccc(C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)c(OC)c1OC ZINC000160377888 495948942 /nfs/dbraw/zinc/94/89/42/495948942.db2.gz KJSFFCMMSUUNCM-RUZDIDTESA-N 1 2 363.479 3.082 20 70 FGIDLO COCC(C)(C)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000160436735 495962705 /nfs/dbraw/zinc/96/27/05/495962705.db2.gz ROLNOERKQPVVLP-UHFFFAOYSA-N 1 2 359.495 3.313 20 70 FGIDLO COCC(C)(C)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000160436735 495962707 /nfs/dbraw/zinc/96/27/07/495962707.db2.gz ROLNOERKQPVVLP-UHFFFAOYSA-N 1 2 359.495 3.313 20 70 FGIDLO CN(C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1ccc2c(c1)OCO2 ZINC000160626658 496006816 /nfs/dbraw/zinc/00/68/16/496006816.db2.gz ZFSVRLJGBNSWKY-IBGZPJMESA-N 1 2 370.474 3.168 20 70 FGIDLO COC(=O)c1csc(NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000160931147 496070648 /nfs/dbraw/zinc/07/06/48/496070648.db2.gz WKMWCVZJHMDFHA-UHFFFAOYSA-N 1 2 364.814 3.158 20 70 FGIDLO C[C@@H]1CC(=O)CC[C@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000161006902 496084601 /nfs/dbraw/zinc/08/46/01/496084601.db2.gz RSJNFMZSBQYAFR-RDTXWAMCSA-N 1 2 355.438 3.042 20 70 FGIDLO CC[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)c1nccs1 ZINC000161070628 496097607 /nfs/dbraw/zinc/09/76/07/496097607.db2.gz JYISZFRLEJYSPQ-NWDGAFQWSA-N 1 2 354.273 3.173 20 70 FGIDLO COC(=O)[C@H](C)[C@H]([NH2+]Cc1noc(-c2ccsc2)n1)c1ccccc1 ZINC000161113534 496105788 /nfs/dbraw/zinc/10/57/88/496105788.db2.gz JSARJYSFUXQIIJ-WBMJQRKESA-N 1 2 357.435 3.438 20 70 FGIDLO COCc1ccc(CNC(=O)NCCNc2ccc3ccccc3[nH+]2)cc1 ZINC000161158488 496116703 /nfs/dbraw/zinc/11/67/03/496116703.db2.gz MFYXKXPGSGRORX-UHFFFAOYSA-N 1 2 364.449 3.293 20 70 FGIDLO CCOC(=O)[C@@H]1CCCCN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000161248549 496136748 /nfs/dbraw/zinc/13/67/48/496136748.db2.gz CHDYPLDKLFMBBG-AWEZNQCLSA-N 1 2 366.259 3.014 20 70 FGIDLO O=C(C[NH+]1CCC([C@H](O)C(F)(F)F)CC1)NCCCC1CCCCC1 ZINC000161447889 496178059 /nfs/dbraw/zinc/17/80/59/496178059.db2.gz NRBHWNYKSAQKCV-KRWDZBQOSA-N 1 2 364.452 3.098 20 70 FGIDLO O=C(NCc1ccc(OCc2ccccc2)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159393414 495723347 /nfs/dbraw/zinc/72/33/47/495723347.db2.gz BZXXIDVJILSMSB-LJQANCHMSA-N 1 2 361.445 3.341 20 70 FGIDLO COc1ccc(C[C@@H](C)CNC(=O)NCCc2cn3ccccc3[nH+]2)cc1 ZINC000159467467 495739044 /nfs/dbraw/zinc/73/90/44/495739044.db2.gz XGHWTBMQTSBCHD-MRXNPFEDSA-N 1 2 366.465 3.063 20 70 FGIDLO NC(=O)C[N@H+](Cc1ccc(OCc2ccccc2)cc1)Cc1ccccn1 ZINC000159557626 495758223 /nfs/dbraw/zinc/75/82/23/495758223.db2.gz MCUKYPHAPKCWQT-UHFFFAOYSA-N 1 2 361.445 3.148 20 70 FGIDLO NC(=O)C[N@@H+](Cc1ccc(OCc2ccccc2)cc1)Cc1ccccn1 ZINC000159557626 495758230 /nfs/dbraw/zinc/75/82/30/495758230.db2.gz MCUKYPHAPKCWQT-UHFFFAOYSA-N 1 2 361.445 3.148 20 70 FGIDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCc2cccc(O)c2)CC1 ZINC000159624665 495772386 /nfs/dbraw/zinc/77/23/86/495772386.db2.gz POLRSALOPQNHNI-OAHLLOKOSA-N 1 2 359.495 3.085 20 70 FGIDLO Cc1nc(C)c(C[N@H+](C)CCCOc2ccc(S(C)(=O)=O)cc2)s1 ZINC000159660541 495781424 /nfs/dbraw/zinc/78/14/24/495781424.db2.gz UMROPCLXAJTPFM-UHFFFAOYSA-N 1 2 368.524 3.064 20 70 FGIDLO Cc1nc(C)c(C[N@@H+](C)CCCOc2ccc(S(C)(=O)=O)cc2)s1 ZINC000159660541 495781429 /nfs/dbraw/zinc/78/14/29/495781429.db2.gz UMROPCLXAJTPFM-UHFFFAOYSA-N 1 2 368.524 3.064 20 70 FGIDLO O=C(NCc1ccc(F)cc1)c1nnc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)s1 ZINC000159691835 495787982 /nfs/dbraw/zinc/78/79/82/495787982.db2.gz DEQOEUSUJDYGIJ-HOCLYGCPSA-N 1 2 374.485 3.372 20 70 FGIDLO O=C(NCc1ccc(F)cc1)c1nnc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)s1 ZINC000159691835 495787985 /nfs/dbraw/zinc/78/79/85/495787985.db2.gz DEQOEUSUJDYGIJ-HOCLYGCPSA-N 1 2 374.485 3.372 20 70 FGIDLO O=C(NCCCn1cc[nH+]c1)Nc1ccnn1Cc1cccc2ccccc21 ZINC000159752866 495800970 /nfs/dbraw/zinc/80/09/70/495800970.db2.gz HPQUBBDTBSKSRE-UHFFFAOYSA-N 1 2 374.448 3.493 20 70 FGIDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCO[C@H](c2ccsc2)C1 ZINC000159860844 495826059 /nfs/dbraw/zinc/82/60/59/495826059.db2.gz AFGADILFHIDDLQ-KRWDZBQOSA-N 1 2 372.494 3.026 20 70 FGIDLO CC[N@H+](Cc1c[nH]nc1-c1ccc(C)o1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159882828 495831611 /nfs/dbraw/zinc/83/16/11/495831611.db2.gz AHKLKJGVBUJYQQ-UHFFFAOYSA-N 1 2 363.421 3.237 20 70 FGIDLO CC[N@@H+](Cc1c[nH]nc1-c1ccc(C)o1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159882828 495831617 /nfs/dbraw/zinc/83/16/17/495831617.db2.gz AHKLKJGVBUJYQQ-UHFFFAOYSA-N 1 2 363.421 3.237 20 70 FGIDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@H](O)c1ccccc1Cl ZINC000159949894 495848157 /nfs/dbraw/zinc/84/81/57/495848157.db2.gz WGGWWNQRYJNJRM-GOSISDBHSA-N 1 2 359.857 3.075 20 70 FGIDLO COc1ccccc1[C@H](NC(=O)N1CC[C@H](C)[C@@H](C)C1)c1[nH+]ccn1C ZINC000160047112 495872046 /nfs/dbraw/zinc/87/20/46/495872046.db2.gz VMBRFAHCYZRWMA-MPGHIAIKSA-N 1 2 356.470 3.206 20 70 FGIDLO O=C(N[C@@H]1CCCc2sccc21)c1cccc(C[NH+]2CCOCC2)c1 ZINC000160058926 495874532 /nfs/dbraw/zinc/87/45/32/495874532.db2.gz RRSSUFJWAAFLQR-GOSISDBHSA-N 1 2 356.491 3.388 20 70 FGIDLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc(N2CCCC2=O)ccc1F ZINC000160087552 495881996 /nfs/dbraw/zinc/88/19/96/495881996.db2.gz UQFRWFQIJDHPJC-UHFFFAOYSA-N 1 2 364.380 3.391 20 70 FGIDLO CCc1oc(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1C ZINC000160146899 495895173 /nfs/dbraw/zinc/89/51/73/495895173.db2.gz SPZJLCLWKZKWTC-UHFFFAOYSA-N 1 2 356.470 3.335 20 70 FGIDLO CC(C)(CNC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1cccc(F)c1 ZINC000160290648 495927566 /nfs/dbraw/zinc/92/75/66/495927566.db2.gz LSHZZOCAQLFNLP-UHFFFAOYSA-N 1 2 370.472 3.026 20 70 FGIDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000160307447 495931680 /nfs/dbraw/zinc/93/16/80/495931680.db2.gz IHEUFTNQLJIOPS-RTBURBONSA-N 1 2 368.481 3.030 20 70 FGIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C)Cc3ccccc3F)c2c1 ZINC000160369758 495947472 /nfs/dbraw/zinc/94/74/72/495947472.db2.gz SRRDMBQJAHUGSW-UHFFFAOYSA-N 1 2 354.381 3.408 20 70 FGIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+](C)Cc3ccccc3F)c2c1 ZINC000160369758 495947478 /nfs/dbraw/zinc/94/74/78/495947478.db2.gz SRRDMBQJAHUGSW-UHFFFAOYSA-N 1 2 354.381 3.408 20 70 FGIDLO CC(C)C(=O)Nc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000160383868 495950635 /nfs/dbraw/zinc/95/06/35/495950635.db2.gz XWVCAXQCJKGMKZ-KRWDZBQOSA-N 1 2 367.453 3.077 20 70 FGIDLO CCn1cc(C[NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cn1 ZINC000160435972 495962644 /nfs/dbraw/zinc/96/26/44/495962644.db2.gz BZUOCOCKEUSFAP-UHFFFAOYSA-N 1 2 373.810 3.292 20 70 FGIDLO C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(OCC(F)(F)F)cc1 ZINC000160478786 495973073 /nfs/dbraw/zinc/97/30/73/495973073.db2.gz YBKTZYQTDUXSSR-JSGCOSHPSA-N 1 2 367.371 3.264 20 70 FGIDLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCCS(=O)(=O)C(C)C)c1 ZINC000160576843 495995995 /nfs/dbraw/zinc/99/59/95/495995995.db2.gz MWAISWGLJKXVEC-QGZVFWFLSA-N 1 2 355.500 3.054 20 70 FGIDLO COc1ccc(OC)c([C@H]2CCC[N@H+]2CCCS(=O)(=O)C(C)C)c1 ZINC000160576843 495996001 /nfs/dbraw/zinc/99/60/01/495996001.db2.gz MWAISWGLJKXVEC-QGZVFWFLSA-N 1 2 355.500 3.054 20 70 FGIDLO COc1ccc([C@H]2CCC[N@@H+]2CCCS(=O)(=O)C(C)C)c(OC)c1 ZINC000160584696 495997242 /nfs/dbraw/zinc/99/72/42/495997242.db2.gz BXSWVYKINKXVMF-QGZVFWFLSA-N 1 2 355.500 3.054 20 70 FGIDLO COc1ccc([C@H]2CCC[N@H+]2CCCS(=O)(=O)C(C)C)c(OC)c1 ZINC000160584696 495997248 /nfs/dbraw/zinc/99/72/48/495997248.db2.gz BXSWVYKINKXVMF-QGZVFWFLSA-N 1 2 355.500 3.054 20 70 FGIDLO COc1ccc([C@@H]2CCC[N@@H+]2CCCS(=O)(=O)C(C)C)c(OC)c1 ZINC000160584865 495997533 /nfs/dbraw/zinc/99/75/33/495997533.db2.gz BXSWVYKINKXVMF-KRWDZBQOSA-N 1 2 355.500 3.054 20 70 FGIDLO COc1ccc([C@@H]2CCC[N@H+]2CCCS(=O)(=O)C(C)C)c(OC)c1 ZINC000160584865 495997540 /nfs/dbraw/zinc/99/75/40/495997540.db2.gz BXSWVYKINKXVMF-KRWDZBQOSA-N 1 2 355.500 3.054 20 70 FGIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000160598957 496000632 /nfs/dbraw/zinc/00/06/32/496000632.db2.gz HHKIRMPKUBBPKV-KBPBESRZSA-N 1 2 358.404 3.036 20 70 FGIDLO C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160935798 496069679 /nfs/dbraw/zinc/06/96/79/496069679.db2.gz RIXHESXEECFPTR-MRXNPFEDSA-N 1 2 357.885 3.258 20 70 FGIDLO Cc1nn(C)cc1C[N@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000160936605 496071775 /nfs/dbraw/zinc/07/17/75/496071775.db2.gz LRUULWFYPWNIES-UHFFFAOYSA-N 1 2 374.794 3.471 20 70 FGIDLO Cc1nn(C)cc1C[N@@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000160936605 496071780 /nfs/dbraw/zinc/07/17/80/496071780.db2.gz LRUULWFYPWNIES-UHFFFAOYSA-N 1 2 374.794 3.471 20 70 FGIDLO CC[C@@H](C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)c1ccc(F)cc1 ZINC000161276508 496141826 /nfs/dbraw/zinc/14/18/26/496141826.db2.gz MFDXJCLLTJMIJG-QGZVFWFLSA-N 1 2 357.429 3.498 20 70 FGIDLO Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000161276996 496143333 /nfs/dbraw/zinc/14/33/33/496143333.db2.gz HZUITVOEJQNZLI-CJNGLKHVSA-N 1 2 358.404 3.266 20 70 FGIDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(Br)cc2cccnc21 ZINC000161426304 496174541 /nfs/dbraw/zinc/17/45/41/496174541.db2.gz MTDKDYAFJHVSPT-HNNXBMFYSA-N 1 2 362.271 3.098 20 70 FGIDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(Br)cc2cccnc21 ZINC000161426304 496174546 /nfs/dbraw/zinc/17/45/46/496174546.db2.gz MTDKDYAFJHVSPT-HNNXBMFYSA-N 1 2 362.271 3.098 20 70 FGIDLO COc1ccccc1[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000161504547 496187633 /nfs/dbraw/zinc/18/76/33/496187633.db2.gz CPSPXNBJBZKMHM-DYESRHJHSA-N 1 2 361.445 3.360 20 70 FGIDLO c1ccc2oc(C3CC[NH+](Cc4noc(C5CCOCC5)n4)CC3)nc2c1 ZINC000161506718 496188233 /nfs/dbraw/zinc/18/82/33/496188233.db2.gz VHGSNWHPPYEMKG-UHFFFAOYSA-N 1 2 368.437 3.484 20 70 FGIDLO COc1ccnc(C[N@@H+]2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000161137850 206341059 /nfs/dbraw/zinc/34/10/59/206341059.db2.gz TYVDWFMETCECJV-NVXWUHKLSA-N 1 2 352.356 3.417 20 70 FGIDLO COc1ccnc(C[N@H+]2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000161137850 206341063 /nfs/dbraw/zinc/34/10/63/206341063.db2.gz TYVDWFMETCECJV-NVXWUHKLSA-N 1 2 352.356 3.417 20 70 FGIDLO COc1cc[nH+]c(CN2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000161137850 206341065 /nfs/dbraw/zinc/34/10/65/206341065.db2.gz TYVDWFMETCECJV-NVXWUHKLSA-N 1 2 352.356 3.417 20 70 FGIDLO CC(C)C[C@H](CCO)CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000159786154 495808891 /nfs/dbraw/zinc/80/88/91/495808891.db2.gz VDXQXYKHUXIBFA-IRXDYDNUSA-N 1 2 367.559 3.181 20 70 FGIDLO CCOCCC1(CNC(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC000159911678 495838747 /nfs/dbraw/zinc/83/87/47/495838747.db2.gz FYHXBYAXOCPYFA-MRXNPFEDSA-N 1 2 369.456 3.074 20 70 FGIDLO COc1cc(-c2nc(CSCC[NH+]3CCOCC3)cs2)ccc1O ZINC000159939137 495845272 /nfs/dbraw/zinc/84/52/72/495845272.db2.gz JWAYXPSUHQQSAR-UHFFFAOYSA-N 1 2 366.508 3.090 20 70 FGIDLO CCN(CC)c1ccc(CNC(=O)NC2(c3cccc(OC)c3)CC2)c[nH+]1 ZINC000160067503 495877079 /nfs/dbraw/zinc/87/70/79/495877079.db2.gz VYRVJBSTMDCJIF-UHFFFAOYSA-N 1 2 368.481 3.425 20 70 FGIDLO CC[C@@H](NC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C)c1nccs1 ZINC000160123377 495889105 /nfs/dbraw/zinc/88/91/05/495889105.db2.gz GXVSNXSGMUDHOP-ZIAGYGMSSA-N 1 2 368.453 3.475 20 70 FGIDLO C[N@H+](CCC(=O)OC(C)(C)C)Cc1nc2ccc(Br)cc2[nH]1 ZINC000160159729 495898307 /nfs/dbraw/zinc/89/83/07/495898307.db2.gz WMLSPHLSMLDQMS-UHFFFAOYSA-N 1 2 368.275 3.489 20 70 FGIDLO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1nc2ccc(Br)cc2[nH]1 ZINC000160159729 495898312 /nfs/dbraw/zinc/89/83/12/495898312.db2.gz WMLSPHLSMLDQMS-UHFFFAOYSA-N 1 2 368.275 3.489 20 70 FGIDLO Clc1ccc(-n2ncc3c2ncnc3SCCn2cc[nH+]c2)cc1 ZINC000160197607 495907003 /nfs/dbraw/zinc/90/70/03/495907003.db2.gz HHNFZCAGMSTOQF-UHFFFAOYSA-N 1 2 356.842 3.458 20 70 FGIDLO CCOC(=O)c1ccc(C[N@H+](CC)CC(=O)Nc2c(F)cccc2F)o1 ZINC000160252989 495918335 /nfs/dbraw/zinc/91/83/35/495918335.db2.gz QTQJCEPFWYZJTF-UHFFFAOYSA-N 1 2 366.364 3.195 20 70 FGIDLO CCOC(=O)c1ccc(C[N@@H+](CC)CC(=O)Nc2c(F)cccc2F)o1 ZINC000160252989 495918340 /nfs/dbraw/zinc/91/83/40/495918340.db2.gz QTQJCEPFWYZJTF-UHFFFAOYSA-N 1 2 366.364 3.195 20 70 FGIDLO C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160309186 495931954 /nfs/dbraw/zinc/93/19/54/495931954.db2.gz KVBSKVPLYKHADM-JKSUJKDBSA-N 1 2 355.482 3.327 20 70 FGIDLO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc[nH+]c2N(C)C)c1 ZINC000160481708 495972465 /nfs/dbraw/zinc/97/24/65/495972465.db2.gz OPWDUMMBTJQVDO-UHFFFAOYSA-N 1 2 374.872 3.326 20 70 FGIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000160599209 496000400 /nfs/dbraw/zinc/00/04/00/496000400.db2.gz HHKIRMPKUBBPKV-UONOGXRCSA-N 1 2 358.404 3.036 20 70 FGIDLO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cn(C)nc1C ZINC000160674678 496017015 /nfs/dbraw/zinc/01/70/15/496017015.db2.gz NDWYPKDZGYZNBG-UHFFFAOYSA-N 1 2 354.376 3.208 20 70 FGIDLO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cn(C)nc1C ZINC000160674678 496017023 /nfs/dbraw/zinc/01/70/23/496017023.db2.gz NDWYPKDZGYZNBG-UHFFFAOYSA-N 1 2 354.376 3.208 20 70 FGIDLO C[N@H+](Cc1nc(-c2c(F)cccc2F)cs1)C1(C(N)=O)CCCC1 ZINC000161050590 496093001 /nfs/dbraw/zinc/09/30/01/496093001.db2.gz MYDHQFMCVJHFJI-UHFFFAOYSA-N 1 2 351.422 3.318 20 70 FGIDLO C[N@@H+](Cc1nc(-c2c(F)cccc2F)cs1)C1(C(N)=O)CCCC1 ZINC000161050590 496093006 /nfs/dbraw/zinc/09/30/06/496093006.db2.gz MYDHQFMCVJHFJI-UHFFFAOYSA-N 1 2 351.422 3.318 20 70 FGIDLO O=C(NCC1(c2c(F)cccc2F)CCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161087971 496100338 /nfs/dbraw/zinc/10/03/38/496100338.db2.gz UBPJAUBCMUILEL-CQSZACIVSA-N 1 2 359.420 3.352 20 70 FGIDLO CC(C)(C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)C1CCCC1 ZINC000161221875 496131101 /nfs/dbraw/zinc/13/11/01/496131101.db2.gz SZLDNOQHMFKTKO-UHFFFAOYSA-N 1 2 374.525 3.230 20 70 FGIDLO COc1ccc([C@@H](NC(=O)[C@H](OC)c2ccccc2)c2[nH+]ccn2C)cc1 ZINC000161237088 496134621 /nfs/dbraw/zinc/13/46/21/496134621.db2.gz FHCKFBKBOHIDAS-RTBURBONSA-N 1 2 365.433 3.022 20 70 FGIDLO Cc1cc(C)c(Br)c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000161356402 496158589 /nfs/dbraw/zinc/15/85/89/496158589.db2.gz RJVJKRRUNCRHRK-AWEZNQCLSA-N 1 2 374.282 3.470 20 70 FGIDLO COCCSc1ccc([C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161400564 496168606 /nfs/dbraw/zinc/16/86/06/496168606.db2.gz WMJRCBLTELSVRE-ZBFHGGJFSA-N 1 2 359.495 3.061 20 70 FGIDLO C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161408485 496170250 /nfs/dbraw/zinc/17/02/50/496170250.db2.gz LLYLEBZNOSUHBQ-SKDRFNHKSA-N 1 2 361.389 3.494 20 70 FGIDLO CC(C)(C)O[C@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000161474174 496183043 /nfs/dbraw/zinc/18/30/43/496183043.db2.gz DVWFMTWTSNNYBL-HKUYNNGSSA-N 1 2 353.466 3.333 20 70 FGIDLO CC(C)(C)O[C@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000161473954 496183205 /nfs/dbraw/zinc/18/32/05/496183205.db2.gz DVWFMTWTSNNYBL-MJGOQNOKSA-N 1 2 353.466 3.333 20 70 FGIDLO O=C(C[NH+]1CCC(COc2ccccc2)CC1)Nc1nc2c(s1)CCC2 ZINC000217171305 496995988 /nfs/dbraw/zinc/99/59/88/496995988.db2.gz RKKUCKXLRHLTAQ-UHFFFAOYSA-N 1 2 371.506 3.361 20 70 FGIDLO C[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(-n2cncn2)cc1Cl ZINC000159426428 495729779 /nfs/dbraw/zinc/72/97/79/495729779.db2.gz KJBMPEUFVAKYLJ-ZDUSSCGKSA-N 1 2 352.829 3.419 20 70 FGIDLO COc1ccccc1OCC[N@H+](C)Cc1nnc(-c2ccccc2OC)o1 ZINC000159443309 495734989 /nfs/dbraw/zinc/73/49/89/495734989.db2.gz PNGZCFKONGGIQC-UHFFFAOYSA-N 1 2 369.421 3.265 20 70 FGIDLO COc1ccccc1OCC[N@@H+](C)Cc1nnc(-c2ccccc2OC)o1 ZINC000159443309 495734995 /nfs/dbraw/zinc/73/49/95/495734995.db2.gz PNGZCFKONGGIQC-UHFFFAOYSA-N 1 2 369.421 3.265 20 70 FGIDLO CCCn1c(SCCn2cc[nH+]c2)nc2sc3c(c2c1=O)CCC3 ZINC000159486383 495742775 /nfs/dbraw/zinc/74/27/75/495742775.db2.gz AUCDVAREOZZBTQ-UHFFFAOYSA-N 1 2 360.508 3.346 20 70 FGIDLO COc1ccc([C@@H](NC(=O)NC[C@@]2(C)CCCS2)c2[nH+]ccn2C)cc1 ZINC000159535232 495754903 /nfs/dbraw/zinc/75/49/03/495754903.db2.gz AEDBISZUGMEZBM-VQIMIIECSA-N 1 2 374.510 3.103 20 70 FGIDLO Cc1cc(C)n(-c2ccc(N(C)Cc3[nH+]ccn3Cc3ccccc3)nn2)n1 ZINC000159725712 495796244 /nfs/dbraw/zinc/79/62/44/495796244.db2.gz YYBGGPPRMSHEMK-UHFFFAOYSA-N 1 2 373.464 3.160 20 70 FGIDLO CCOc1cccc([C@H](C)NC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000159799664 495811651 /nfs/dbraw/zinc/81/16/51/495811651.db2.gz NHCAEIYAWCBPAI-KRWDZBQOSA-N 1 2 368.481 3.069 20 70 FGIDLO CC(C)[C@@H](SCC[NH+]1CCOCC1)C(=O)N1c2ccccc2C[C@H]1C ZINC000159821818 495817022 /nfs/dbraw/zinc/81/70/22/495817022.db2.gz QGDBJRIRXNRAFY-VQIMIIECSA-N 1 2 362.539 3.054 20 70 FGIDLO O=C(Nc1n[nH]c(-c2cccc3ccccc32)n1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159854576 495824645 /nfs/dbraw/zinc/82/46/45/495824645.db2.gz QBDJHDGHAKKMPG-CQSZACIVSA-N 1 2 358.405 3.023 20 70 FGIDLO CC(C)c1ccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cn1 ZINC000160035799 495868661 /nfs/dbraw/zinc/86/86/61/495868661.db2.gz JCBVZJYRZLQHOV-UHFFFAOYSA-N 1 2 353.466 3.042 20 70 FGIDLO CCCOc1ccc([C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000160068884 495877170 /nfs/dbraw/zinc/87/71/70/495877170.db2.gz KDKHATGPLPFTST-HOCLYGCPSA-N 1 2 357.454 3.120 20 70 FGIDLO Cc1cc(C)cc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000160099035 495882969 /nfs/dbraw/zinc/88/29/69/495882969.db2.gz ZOKOCSRWOUUCIB-GOSISDBHSA-N 1 2 352.482 3.287 20 70 FGIDLO CC(C)CCn1ccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000160261868 495921118 /nfs/dbraw/zinc/92/11/18/495921118.db2.gz MDXJYSQKZJNBBJ-UHFFFAOYSA-N 1 2 366.469 3.496 20 70 FGIDLO Cc1cccc2nc(C[NH2+][C@H](C)c3ccc(S(C)(=O)=O)c(F)c3)cn21 ZINC000160317381 495933420 /nfs/dbraw/zinc/93/34/20/495933420.db2.gz GMQDOFWTZDIQIM-CYBMUJFWSA-N 1 2 361.442 3.036 20 70 FGIDLO COc1ccc(C2(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)CCCCC2)cc1 ZINC000160478387 495972405 /nfs/dbraw/zinc/97/24/05/495972405.db2.gz CWRXECIWZCGWPW-KRWDZBQOSA-N 1 2 367.493 3.472 20 70 FGIDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1cnc2ccccn12 ZINC000160494313 495976404 /nfs/dbraw/zinc/97/64/04/495976404.db2.gz JBVFMWGSAVMMLK-GOSISDBHSA-N 1 2 364.449 3.254 20 70 FGIDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1cnc2ccccn12 ZINC000160494313 495976410 /nfs/dbraw/zinc/97/64/10/495976410.db2.gz JBVFMWGSAVMMLK-GOSISDBHSA-N 1 2 364.449 3.254 20 70 FGIDLO CC[N@H+](Cc1ccc(-c2cccc(F)c2C)o1)[C@H]1CCS(=O)(=O)C1 ZINC000160543932 495988165 /nfs/dbraw/zinc/98/81/65/495988165.db2.gz DACTUEYRNOXGEI-AWEZNQCLSA-N 1 2 351.443 3.403 20 70 FGIDLO CC[N@@H+](Cc1ccc(-c2cccc(F)c2C)o1)[C@H]1CCS(=O)(=O)C1 ZINC000160543932 495988173 /nfs/dbraw/zinc/98/81/73/495988173.db2.gz DACTUEYRNOXGEI-AWEZNQCLSA-N 1 2 351.443 3.403 20 70 FGIDLO CCCC1(CNC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CC1 ZINC000160734082 496030970 /nfs/dbraw/zinc/03/09/70/496030970.db2.gz VHPHUWMNICTOAN-UHFFFAOYSA-N 1 2 354.454 3.222 20 70 FGIDLO Cc1noc(Cl)c1CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000160872653 496058084 /nfs/dbraw/zinc/05/80/84/496058084.db2.gz BKEIIASVXMGTES-UHFFFAOYSA-N 1 2 354.863 3.260 20 70 FGIDLO CCCn1c(C)nnc1C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000160917026 496066590 /nfs/dbraw/zinc/06/65/90/496066590.db2.gz ISZNQQYQONEPIZ-SFHVURJKSA-N 1 2 354.454 3.325 20 70 FGIDLO CCCn1c(C)nnc1C[N@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000160917026 496066592 /nfs/dbraw/zinc/06/65/92/496066592.db2.gz ISZNQQYQONEPIZ-SFHVURJKSA-N 1 2 354.454 3.325 20 70 FGIDLO O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000160980422 496078572 /nfs/dbraw/zinc/07/85/72/496078572.db2.gz SGIBSJMEPLFXMK-RCCFBDPRSA-N 1 2 354.454 3.219 20 70 FGIDLO O=C(Nc1ccc(OC(F)F)c(F)c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161021340 496086523 /nfs/dbraw/zinc/08/65/23/496086523.db2.gz KAQZNTOLLHKFIR-LBPRGKRZSA-N 1 2 366.343 3.223 20 70 FGIDLO O=C(NCc1ccc(OC2CCCCC2)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161098407 496102047 /nfs/dbraw/zinc/10/20/47/496102047.db2.gz CQUFQBOHHBNYDA-QGZVFWFLSA-N 1 2 353.466 3.473 20 70 FGIDLO CCC[N@H+](Cc1cnc(-c2ccc(C)o2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000161114608 496106000 /nfs/dbraw/zinc/10/60/00/496106000.db2.gz YZHZJLUPQGKGPS-ZDUSSCGKSA-N 1 2 354.497 3.111 20 70 FGIDLO CCC[N@@H+](Cc1cnc(-c2ccc(C)o2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000161114608 496106005 /nfs/dbraw/zinc/10/60/05/496106005.db2.gz YZHZJLUPQGKGPS-ZDUSSCGKSA-N 1 2 354.497 3.111 20 70 FGIDLO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1noc(-c2ccsc2)n1)c1ccccc1 ZINC000161113424 496106768 /nfs/dbraw/zinc/10/67/68/496106768.db2.gz JSARJYSFUXQIIJ-LRDDRELGSA-N 1 2 357.435 3.438 20 70 FGIDLO CN(CCCc1cc(-c2ccccc2)no1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161116002 496107588 /nfs/dbraw/zinc/10/75/88/496107588.db2.gz BQZDORQODYVTEN-QGZVFWFLSA-N 1 2 364.449 3.192 20 70 FGIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000161160314 496116788 /nfs/dbraw/zinc/11/67/88/496116788.db2.gz RSMKUQMYXSTMMJ-OAHLLOKOSA-N 1 2 355.438 3.092 20 70 FGIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000161160314 496116795 /nfs/dbraw/zinc/11/67/95/496116795.db2.gz RSMKUQMYXSTMMJ-OAHLLOKOSA-N 1 2 355.438 3.092 20 70 FGIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000161191218 496123576 /nfs/dbraw/zinc/12/35/76/496123576.db2.gz ARBDYAOWKOWTQZ-INIZCTEOSA-N 1 2 366.465 3.058 20 70 FGIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000161191218 496123582 /nfs/dbraw/zinc/12/35/82/496123582.db2.gz ARBDYAOWKOWTQZ-INIZCTEOSA-N 1 2 366.465 3.058 20 70 FGIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cnc(-c2ccccc2F)s1 ZINC000161230231 496132175 /nfs/dbraw/zinc/13/21/75/496132175.db2.gz PYADACBAKHPIRE-ZDUSSCGKSA-N 1 2 368.437 3.353 20 70 FGIDLO Cc1nc(-c2ccccc2)sc1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161270215 496140517 /nfs/dbraw/zinc/14/05/17/496140517.db2.gz IOJKYCPCSVRXQL-OAHLLOKOSA-N 1 2 352.463 3.194 20 70 FGIDLO COc1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1OC1CCCC1 ZINC000161388658 496166523 /nfs/dbraw/zinc/16/65/23/496166523.db2.gz CLRJNNCRSBIYTR-MRXNPFEDSA-N 1 2 369.465 3.092 20 70 FGIDLO CSc1nc(C(C)C)nc(C)c1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161406462 496169963 /nfs/dbraw/zinc/16/99/63/496169963.db2.gz XNHXMKMRYQFJML-CQSZACIVSA-N 1 2 371.510 3.034 20 70 FGIDLO C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1nc(-c2ccccc2)cs1 ZINC000161482846 496184040 /nfs/dbraw/zinc/18/40/40/496184040.db2.gz PBMJBTHYITZNPO-UKRRQHHQSA-N 1 2 352.463 3.446 20 70 FGIDLO CN(CCCn1cc[nH+]c1)C(=O)Cc1cc(Cl)ccc1Br ZINC000159411922 495727286 /nfs/dbraw/zinc/72/72/86/495727286.db2.gz SMOHHHLBMTXPSU-UHFFFAOYSA-N 1 2 370.678 3.390 20 70 FGIDLO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159613707 495770295 /nfs/dbraw/zinc/77/02/95/495770295.db2.gz FYEJEANBYWSRKC-HTAPYJJXSA-N 1 2 350.462 3.496 20 70 FGIDLO Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159613707 495770299 /nfs/dbraw/zinc/77/02/99/495770299.db2.gz FYEJEANBYWSRKC-HTAPYJJXSA-N 1 2 350.462 3.496 20 70 FGIDLO COC(=O)c1oc([C@H](C)[NH+]2CCN(Cc3csc(C)n3)CC2)cc1C ZINC000159719382 495793945 /nfs/dbraw/zinc/79/39/45/495793945.db2.gz ZKXSCWJVTHTZTQ-ZDUSSCGKSA-N 1 2 363.483 3.018 20 70 FGIDLO CC(C)(C)c1ccc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000159807621 495812932 /nfs/dbraw/zinc/81/29/32/495812932.db2.gz CUEHJGHSWIMBCI-UHFFFAOYSA-N 1 2 366.509 3.407 20 70 FGIDLO CCCCn1ncc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)c1C ZINC000159895524 495834929 /nfs/dbraw/zinc/83/49/29/495834929.db2.gz CPLMCZOEQVFSKC-UHFFFAOYSA-N 1 2 352.442 3.499 20 70 FGIDLO O=C(Nc1ncc(Cc2ccccc2F)s1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160079798 495879331 /nfs/dbraw/zinc/87/93/31/495879331.db2.gz VZQDBFDXUPGHPP-ZDUSSCGKSA-N 1 2 356.426 3.271 20 70 FGIDLO O=C(Nc1cccc(COCc2ccco2)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160107073 495885496 /nfs/dbraw/zinc/88/54/96/495885496.db2.gz GTTKUMNHQJPQCK-INIZCTEOSA-N 1 2 351.406 3.394 20 70 FGIDLO CCOC(=O)c1ccsc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160210180 495910749 /nfs/dbraw/zinc/91/07/49/495910749.db2.gz DCPGBQITOVZFDW-INIZCTEOSA-N 1 2 373.478 3.404 20 70 FGIDLO CCOC(=O)c1ccsc1NC(=O)C[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160210180 495910755 /nfs/dbraw/zinc/91/07/55/495910755.db2.gz DCPGBQITOVZFDW-INIZCTEOSA-N 1 2 373.478 3.404 20 70 FGIDLO COc1ccccc1C[N@H+](CCO)Cc1ncc(-c2ccccc2F)o1 ZINC000160484027 495974315 /nfs/dbraw/zinc/97/43/15/495974315.db2.gz MEPPVOVAOJEYRN-UHFFFAOYSA-N 1 2 356.397 3.484 20 70 FGIDLO COc1ccccc1C[N@@H+](CCO)Cc1ncc(-c2ccccc2F)o1 ZINC000160484027 495974320 /nfs/dbraw/zinc/97/43/20/495974320.db2.gz MEPPVOVAOJEYRN-UHFFFAOYSA-N 1 2 356.397 3.484 20 70 FGIDLO CCOC(=O)c1c(C)oc2nc(C[N@H+](C)Cc3ccc(C)s3)nc(N)c21 ZINC000160879901 496059818 /nfs/dbraw/zinc/05/98/18/496059818.db2.gz HCVGUVPSHUBNFB-UHFFFAOYSA-N 1 2 374.466 3.292 20 70 FGIDLO CCOC(=O)c1c(C)oc2nc(C[N@@H+](C)Cc3ccc(C)s3)nc(N)c21 ZINC000160879901 496059823 /nfs/dbraw/zinc/05/98/23/496059823.db2.gz HCVGUVPSHUBNFB-UHFFFAOYSA-N 1 2 374.466 3.292 20 70 FGIDLO O=C1CCCCN1CC1CC[NH+](Cc2noc(-c3ccsc3)n2)CC1 ZINC000160889290 496061622 /nfs/dbraw/zinc/06/16/22/496061622.db2.gz ZNCXKSXQTGMDIR-UHFFFAOYSA-N 1 2 360.483 3.023 20 70 FGIDLO COC(=O)c1csc(NC(=O)NCCNc2ccc3ccccc3[nH+]2)c1 ZINC000161079307 496098592 /nfs/dbraw/zinc/09/85/92/496098592.db2.gz QQBNXADKZJBBHU-UHFFFAOYSA-N 1 2 370.434 3.317 20 70 FGIDLO Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)NCCCn2cc[nH+]c2)c1 ZINC000161107472 496105404 /nfs/dbraw/zinc/10/54/04/496105404.db2.gz VFCDMAUGDYAFEJ-RBUKOAKNSA-N 1 2 356.470 3.271 20 70 FGIDLO Cc1ccc(-c2nnc([C@@H](C)N3CC[NH+](Cc4ccncc4)CC3)o2)cc1 ZINC000161208898 496126624 /nfs/dbraw/zinc/12/66/24/496126624.db2.gz QXIHDHZKKSWGND-QGZVFWFLSA-N 1 2 363.465 3.319 20 70 FGIDLO CC(C)CCn1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)n1 ZINC000161226489 496132014 /nfs/dbraw/zinc/13/20/14/496132014.db2.gz MZEBEACRKYEHIE-UHFFFAOYSA-N 1 2 356.474 3.246 20 70 FGIDLO CC(C)(C)OC(=O)Nc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161424349 496173181 /nfs/dbraw/zinc/17/31/81/496173181.db2.gz BFINOFHCHNZQPS-ZDUSSCGKSA-N 1 2 356.426 3.431 20 70 FGIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccc(Oc2ccncc2)c1 ZINC000161434312 496175849 /nfs/dbraw/zinc/17/58/49/496175849.db2.gz HRKOSZKGNFPKPQ-QGZVFWFLSA-N 1 2 360.417 3.278 20 70 FGIDLO CC(C)(C(=O)NCc1ccccc1OCC[NH+]1CCOCC1)C1CCCC1 ZINC000161436216 496175874 /nfs/dbraw/zinc/17/58/74/496175874.db2.gz BMUNWDOTQXFDOM-UHFFFAOYSA-N 1 2 374.525 3.230 20 70 FGIDLO Cc1ccccc1Cc1nnc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)o1 ZINC000161445741 496178128 /nfs/dbraw/zinc/17/81/28/496178128.db2.gz UVPONQSYKQTRAY-QGZVFWFLSA-N 1 2 369.387 3.104 20 70 FGIDLO Cn1nc(C(C)(C)C)cc1NC(=O)C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000159400578 495725239 /nfs/dbraw/zinc/72/52/39/495725239.db2.gz YTXHUXXXDWNCOU-UHFFFAOYSA-N 1 2 358.461 3.460 20 70 FGIDLO Cn1nc(C(C)(C)C)cc1NC(=O)C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000159400578 495725243 /nfs/dbraw/zinc/72/52/43/495725243.db2.gz YTXHUXXXDWNCOU-UHFFFAOYSA-N 1 2 358.461 3.460 20 70 FGIDLO Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@@]1(C)CCCS1)c1cccc(F)c1 ZINC000159474750 495740682 /nfs/dbraw/zinc/74/06/82/495740682.db2.gz SGNGQRSTFHGIOH-MAUKXSAKSA-N 1 2 362.474 3.234 20 70 FGIDLO O=C(NCCn1cc[nH+]c1)Nc1ccnn1Cc1cccc2ccccc21 ZINC000159753753 495801070 /nfs/dbraw/zinc/80/10/70/495801070.db2.gz RQYXNZPZVGLTQO-UHFFFAOYSA-N 1 2 360.421 3.103 20 70 FGIDLO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000159774727 495806224 /nfs/dbraw/zinc/80/62/24/495806224.db2.gz OKSUDLJGMUMWNO-OALUTQOASA-N 1 2 370.518 3.309 20 70 FGIDLO CCN(CC)C(=O)[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccccc1 ZINC000159793054 495811041 /nfs/dbraw/zinc/81/10/41/495811041.db2.gz BIQUWJIXZROMEM-HNNXBMFYSA-N 1 2 368.403 3.138 20 70 FGIDLO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000159948361 495847563 /nfs/dbraw/zinc/84/75/63/495847563.db2.gz IIALZYZUKCCHEY-QRVBRYPASA-N 1 2 370.518 3.177 20 70 FGIDLO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000159948361 495847569 /nfs/dbraw/zinc/84/75/69/495847569.db2.gz IIALZYZUKCCHEY-QRVBRYPASA-N 1 2 370.518 3.177 20 70 FGIDLO C[C@@H](NC(=O)[C@H](C)SCC[NH+]1CCOCC1)c1cccc2ccccc21 ZINC000159956718 495849697 /nfs/dbraw/zinc/84/96/97/495849697.db2.gz GNEGAHHBGXDPSN-SJORKVTESA-N 1 2 372.534 3.471 20 70 FGIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000159964902 495851981 /nfs/dbraw/zinc/85/19/81/495851981.db2.gz YZXKCTHGVCVPMI-LLVKDONJSA-N 1 2 363.310 3.386 20 70 FGIDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000159993046 495857851 /nfs/dbraw/zinc/85/78/51/495857851.db2.gz VFCBRPQGNFOEDD-NVXWUHKLSA-N 1 2 357.404 3.380 20 70 FGIDLO C[C@@H]1CCN(C(=O)c2cn(C)nc2-c2cccs2)C[C@@H]1n1cc[nH+]c1 ZINC000159994544 495859451 /nfs/dbraw/zinc/85/94/51/495859451.db2.gz ADRASVYDMITVPA-HIFRSBDPSA-N 1 2 355.467 3.068 20 70 FGIDLO CCCOc1ccc([C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000160068606 495877115 /nfs/dbraw/zinc/87/71/15/495877115.db2.gz KDKHATGPLPFTST-GOEBONIOSA-N 1 2 357.454 3.120 20 70 FGIDLO O=C1[C@@H]([NH+]2CCC(c3ccn[nH]3)CC2)CCCN1c1ccccc1Cl ZINC000160071285 495877127 /nfs/dbraw/zinc/87/71/27/495877127.db2.gz BAJVRAVRYQNMNV-SFHVURJKSA-N 1 2 358.873 3.438 20 70 FGIDLO CCCCCc1nnc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000160111082 495886239 /nfs/dbraw/zinc/88/62/39/495886239.db2.gz HCUCIBOPEHZCML-CYBMUJFWSA-N 1 2 360.487 3.066 20 70 FGIDLO C[C@@H](COc1ccccc1)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000160206891 495909038 /nfs/dbraw/zinc/90/90/38/495909038.db2.gz JRFXMASEVIKYOH-HNAYVOBHSA-N 1 2 367.424 3.480 20 70 FGIDLO Cc1cncc(/C=C/C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)c1 ZINC000160319616 495934667 /nfs/dbraw/zinc/93/46/67/495934667.db2.gz IVJAEKKYNZMPFW-GHOSXJJBSA-N 1 2 350.397 3.182 20 70 FGIDLO Cc1cc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)ccc1NC(=O)c1ccco1 ZINC000160327585 495936779 /nfs/dbraw/zinc/93/67/79/495936779.db2.gz QXTYVXPSVFAWBZ-CQSZACIVSA-N 1 2 364.405 3.238 20 70 FGIDLO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(-c2nnc[nH]2)c1)c1ccsc1 ZINC000160361794 495944918 /nfs/dbraw/zinc/94/49/18/495944918.db2.gz SJWTZXZQPQNSMH-KRWDZBQOSA-N 1 2 369.494 3.346 20 70 FGIDLO O=C([C@H](c1ccccc1)[NH+]1CCC(c2ccn[nH]2)CC1)N1CCCCC1 ZINC000160538654 495986811 /nfs/dbraw/zinc/98/68/11/495986811.db2.gz TWNHGRGFRXHFHH-FQEVSTJZSA-N 1 2 352.482 3.343 20 70 FGIDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)[C@H](C)c1ccccc1 ZINC000160557277 495991576 /nfs/dbraw/zinc/99/15/76/495991576.db2.gz KALIYMUINFFINJ-ZWKOTPCHSA-N 1 2 352.482 3.101 20 70 FGIDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)[C@@H](C)c1ccccc1 ZINC000160557158 495991865 /nfs/dbraw/zinc/99/18/65/495991865.db2.gz KALIYMUINFFINJ-QZTJIDSGSA-N 1 2 352.482 3.101 20 70 FGIDLO CCOc1cc2c(cc1OCC)C[N@H+](CCCS(=O)(=O)C(C)C)CC2 ZINC000160580801 495995780 /nfs/dbraw/zinc/99/57/80/495995780.db2.gz UPQNXQOVSIVNPP-UHFFFAOYSA-N 1 2 369.527 3.055 20 70 FGIDLO CCOc1cc2c(cc1OCC)C[N@@H+](CCCS(=O)(=O)C(C)C)CC2 ZINC000160580801 495995782 /nfs/dbraw/zinc/99/57/82/495995782.db2.gz UPQNXQOVSIVNPP-UHFFFAOYSA-N 1 2 369.527 3.055 20 70 FGIDLO Cc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)ccc1Br ZINC000160610326 496002747 /nfs/dbraw/zinc/00/27/47/496002747.db2.gz BEOHKYJENIRGIN-UHFFFAOYSA-N 1 2 366.284 3.454 20 70 FGIDLO Cc1cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)ccc1Br ZINC000160610326 496002745 /nfs/dbraw/zinc/00/27/45/496002745.db2.gz BEOHKYJENIRGIN-UHFFFAOYSA-N 1 2 366.284 3.454 20 70 FGIDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cn(C)nc1-c1cccnc1 ZINC000160924186 496067881 /nfs/dbraw/zinc/06/78/81/496067881.db2.gz SYZSADUDPOTUEG-UHFFFAOYSA-N 1 2 363.465 3.169 20 70 FGIDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cn(C)nc1-c1cccnc1 ZINC000160924186 496067883 /nfs/dbraw/zinc/06/78/83/496067883.db2.gz SYZSADUDPOTUEG-UHFFFAOYSA-N 1 2 363.465 3.169 20 70 FGIDLO Cc1ccc2c(CN3CC[NH+](Cc4ccncc4)CC3)cc(=O)oc2c1C ZINC000161171700 496119395 /nfs/dbraw/zinc/11/93/95/496119395.db2.gz BUADAGLGHBIFGR-UHFFFAOYSA-N 1 2 363.461 3.123 20 70 FGIDLO Cc1ccc2c(C[NH+]3CCN(Cc4ccncc4)CC3)cc(=O)oc2c1C ZINC000161171700 496119397 /nfs/dbraw/zinc/11/93/97/496119397.db2.gz BUADAGLGHBIFGR-UHFFFAOYSA-N 1 2 363.461 3.123 20 70 FGIDLO CCc1ccc(-c2noc(CN3CC[NH+](Cc4ccncc4)CC3)n2)cc1 ZINC000161204087 496127327 /nfs/dbraw/zinc/12/73/27/496127327.db2.gz PLKBBJCWNIFMCG-UHFFFAOYSA-N 1 2 363.465 3.012 20 70 FGIDLO COc1ccc2nc(C)cc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)c2c1 ZINC000161281433 496142813 /nfs/dbraw/zinc/14/28/13/496142813.db2.gz VRVCYRWYFVXAHS-UHFFFAOYSA-N 1 2 368.462 3.249 20 70 FGIDLO COc1ccc2nc(C)cc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)c2c1 ZINC000161281433 496142818 /nfs/dbraw/zinc/14/28/18/496142818.db2.gz VRVCYRWYFVXAHS-UHFFFAOYSA-N 1 2 368.462 3.249 20 70 FGIDLO O=C(Nc1nnc(-c2cccc(Cl)c2)s1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161297679 496145923 /nfs/dbraw/zinc/14/59/23/496145923.db2.gz WNRXCPLQMCTCTL-JTQLQIEISA-N 1 2 359.842 3.256 20 70 FGIDLO O[C@H](C[C@H]1COCC[N@@H+]1Cc1ccc(OC(F)F)cc1)c1ccco1 ZINC000159532747 495753816 /nfs/dbraw/zinc/75/38/16/495753816.db2.gz FREUTPYXJXPQIV-GOEBONIOSA-N 1 2 353.365 3.206 20 70 FGIDLO O[C@H](C[C@H]1COCC[N@H+]1Cc1ccc(OC(F)F)cc1)c1ccco1 ZINC000159532747 495753822 /nfs/dbraw/zinc/75/38/22/495753822.db2.gz FREUTPYXJXPQIV-GOEBONIOSA-N 1 2 353.365 3.206 20 70 FGIDLO Cc1cccc([C@@H]2CCC[N@@H+]2CCOc2ccc(S(C)(=O)=O)cc2)n1 ZINC000159702755 495790510 /nfs/dbraw/zinc/79/05/10/495790510.db2.gz QGNATHBKPHSKFN-IBGZPJMESA-N 1 2 360.479 3.009 20 70 FGIDLO Cc1cccc([C@@H]2CCC[N@H+]2CCOc2ccc(S(C)(=O)=O)cc2)n1 ZINC000159702755 495790517 /nfs/dbraw/zinc/79/05/17/495790517.db2.gz QGNATHBKPHSKFN-IBGZPJMESA-N 1 2 360.479 3.009 20 70 FGIDLO Cc1noc(C)c1C[NH+]1CCN(Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000159712219 495792628 /nfs/dbraw/zinc/79/26/28/495792628.db2.gz GNVCKSYEDSAANL-UHFFFAOYSA-N 1 2 370.428 3.403 20 70 FGIDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1nnc(-c2ccccn2)s1 ZINC000159729222 495796439 /nfs/dbraw/zinc/79/64/39/495796439.db2.gz WJMINZFJVHSSEY-UHFFFAOYSA-N 1 2 362.462 3.481 20 70 FGIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000159956316 495849073 /nfs/dbraw/zinc/84/90/73/495849073.db2.gz GNEGAHHBGXDPSN-DLBZAZTESA-N 1 2 372.534 3.471 20 70 FGIDLO COc1cccc(C2(NC(=O)NCc3ccc(N4CCCC4)[nH+]c3)CC2)c1 ZINC000160063447 495875916 /nfs/dbraw/zinc/87/59/16/495875916.db2.gz RDYOTXRNCPGCOT-UHFFFAOYSA-N 1 2 366.465 3.179 20 70 FGIDLO Cc1ccc(OCCCC(=O)N2CC[NH+](Cc3ccccn3)CC2)c(C)c1 ZINC000160093385 495881800 /nfs/dbraw/zinc/88/18/00/495881800.db2.gz DIBPSGCDABGXES-UHFFFAOYSA-N 1 2 367.493 3.202 20 70 FGIDLO CCCCOC(=O)[C@@H](C)[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000160266412 495922633 /nfs/dbraw/zinc/92/26/33/495922633.db2.gz RYXNXTCJTZGPPL-CQSZACIVSA-N 1 2 358.442 3.043 20 70 FGIDLO O=C(c1ccc(F)cc1C(F)(F)F)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000160283886 495925766 /nfs/dbraw/zinc/92/57/66/495925766.db2.gz MXLPSHZNFMMVGM-AWEZNQCLSA-N 1 2 374.378 3.171 20 70 FGIDLO CC(C)c1nc(N2CC[C@H](OCCCc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000160406084 495955870 /nfs/dbraw/zinc/95/58/70/495955870.db2.gz QKUJYZCFENZOSE-SFHVURJKSA-N 1 2 369.513 3.289 20 70 FGIDLO CC(C)c1nc(N(C)C)nc(N2CC[C@H](OCCCc3ccccc3)C2)[nH+]1 ZINC000160406084 495955876 /nfs/dbraw/zinc/95/58/76/495955876.db2.gz QKUJYZCFENZOSE-SFHVURJKSA-N 1 2 369.513 3.289 20 70 FGIDLO C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(OCC(F)(F)F)cc1 ZINC000160478663 495972120 /nfs/dbraw/zinc/97/21/20/495972120.db2.gz YBKTZYQTDUXSSR-TZMCWYRMSA-N 1 2 367.371 3.264 20 70 FGIDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc(F)cc2cccnc21 ZINC000160477895 495972478 /nfs/dbraw/zinc/97/24/78/495972478.db2.gz APWWFOOHYDXIOK-UHFFFAOYSA-N 1 2 350.397 3.168 20 70 FGIDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1cccc2c1OCCCO2 ZINC000160642921 496010818 /nfs/dbraw/zinc/01/08/18/496010818.db2.gz RJMCDVXEEXIBFL-UHFFFAOYSA-N 1 2 370.449 3.317 20 70 FGIDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1cccc2c1OCCCO2 ZINC000160642921 496010820 /nfs/dbraw/zinc/01/08/20/496010820.db2.gz RJMCDVXEEXIBFL-UHFFFAOYSA-N 1 2 370.449 3.317 20 70 FGIDLO CCCC[N@H+](Cc1nc2c(s1)C[C@@H](C)CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000160774644 496039933 /nfs/dbraw/zinc/03/99/33/496039933.db2.gz OBNAZBLUJLQHPI-UONOGXRCSA-N 1 2 356.557 3.057 20 70 FGIDLO CCCC[N@@H+](Cc1nc2c(s1)C[C@@H](C)CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000160774644 496039934 /nfs/dbraw/zinc/03/99/34/496039934.db2.gz OBNAZBLUJLQHPI-UONOGXRCSA-N 1 2 356.557 3.057 20 70 FGIDLO CCOCc1cccc(NC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000160887959 496061150 /nfs/dbraw/zinc/06/11/50/496061150.db2.gz DFRLFOVUOGDKCP-GOSISDBHSA-N 1 2 354.454 3.409 20 70 FGIDLO C[C@H]1CCN(C(=O)c2cccc(Nc3cnn(C)c3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000160967254 496076337 /nfs/dbraw/zinc/07/63/37/496076337.db2.gz AMSIQUQNUMIXEC-KXBFYZLASA-N 1 2 364.453 3.084 20 70 FGIDLO C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161025012 496087837 /nfs/dbraw/zinc/08/78/37/496087837.db2.gz DKAIODXKJIDUEO-DYESRHJHSA-N 1 2 364.493 3.232 20 70 FGIDLO O=C(Nc1ncccc1OCC1CCCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161081052 496099138 /nfs/dbraw/zinc/09/91/38/496099138.db2.gz RWMLVYBLEAXREP-INIZCTEOSA-N 1 2 354.454 3.438 20 70 FGIDLO CCC[N@H+](Cc1cc(C)c(C)cc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000161112775 496105734 /nfs/dbraw/zinc/10/57/34/496105734.db2.gz KWBZDIBKSOREHG-OAHLLOKOSA-N 1 2 361.454 3.304 20 70 FGIDLO CCC[N@@H+](Cc1cc(C)c(C)cc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000161112775 496105737 /nfs/dbraw/zinc/10/57/37/496105737.db2.gz KWBZDIBKSOREHG-OAHLLOKOSA-N 1 2 361.454 3.304 20 70 FGIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000161180392 496121686 /nfs/dbraw/zinc/12/16/86/496121686.db2.gz HNEVQGHSAJHPRN-HNNXBMFYSA-N 1 2 355.438 3.026 20 70 FGIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000161180392 496121687 /nfs/dbraw/zinc/12/16/87/496121687.db2.gz HNEVQGHSAJHPRN-HNNXBMFYSA-N 1 2 355.438 3.026 20 70 FGIDLO Cc1ccc(-c2nnc([C@H](C)N3CC[NH+](Cc4ccncc4)CC3)o2)cc1 ZINC000161209014 496128360 /nfs/dbraw/zinc/12/83/60/496128360.db2.gz QXIHDHZKKSWGND-KRWDZBQOSA-N 1 2 363.465 3.319 20 70 FGIDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N(C)[C@@H]2CCSC2)C[C@H](C)O1 ZINC000161260078 496139176 /nfs/dbraw/zinc/13/91/76/496139176.db2.gz GIHBBUYPXRDJLO-YQQAZPJKSA-N 1 2 363.527 3.265 20 70 FGIDLO C[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1c(F)cccc1F ZINC000161266901 496140575 /nfs/dbraw/zinc/14/05/75/496140575.db2.gz MFIYWRQPZPNLMP-DOTOQJQBSA-N 1 2 374.431 3.086 20 70 FGIDLO C[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1c(F)cccc1F ZINC000161266901 496140580 /nfs/dbraw/zinc/14/05/80/496140580.db2.gz MFIYWRQPZPNLMP-DOTOQJQBSA-N 1 2 374.431 3.086 20 70 FGIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccnc1SC(F)(F)F ZINC000161311607 496150178 /nfs/dbraw/zinc/15/01/78/496150178.db2.gz WEYOMDWIWBDRLP-LLVKDONJSA-N 1 2 368.384 3.097 20 70 FGIDLO O[C@H](C1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1)C(F)(F)F ZINC000161407223 496170165 /nfs/dbraw/zinc/17/01/65/496170165.db2.gz LJJQTULNNGRZIE-CQSZACIVSA-N 1 2 357.401 3.340 20 70 FGIDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CCOCC1 ZINC000159376031 495719958 /nfs/dbraw/zinc/71/99/58/495719958.db2.gz MWRISPUSROKRPQ-OAHLLOKOSA-N 1 2 350.890 3.047 20 70 FGIDLO Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000159420242 495728376 /nfs/dbraw/zinc/72/83/76/495728376.db2.gz WVGBZZLQMNLKJQ-CZUORRHYSA-N 1 2 360.527 3.487 20 70 FGIDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2nc(-c3ccco3)no2)CC1 ZINC000159486060 495742491 /nfs/dbraw/zinc/74/24/91/495742491.db2.gz VBPAIQZXTZLPCH-CQSZACIVSA-N 1 2 356.401 3.348 20 70 FGIDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2cccc(N(C)C)c2)CC1 ZINC000159602051 495768129 /nfs/dbraw/zinc/76/81/29/495768129.db2.gz HJDNLYXZAOMVNO-MRXNPFEDSA-N 1 2 372.538 3.403 20 70 FGIDLO Cc1noc(-c2cccnc2N(C)Cc2[nH+]ccn2Cc2ccccc2)n1 ZINC000159706047 495791959 /nfs/dbraw/zinc/79/19/59/495791959.db2.gz LFJCAECMOJUQAS-UHFFFAOYSA-N 1 2 360.421 3.321 20 70 FGIDLO Cc1cc(-c2noc([C@H](C)SCC[NH+]3CCOCC3)n2)ccc1F ZINC000159816895 495815939 /nfs/dbraw/zinc/81/59/39/495815939.db2.gz RKFCBGZZLRYTGH-ZDUSSCGKSA-N 1 2 351.447 3.311 20 70 FGIDLO COc1cccc(C2(NC(=O)NCc3cn4cc(Cl)ccc4[nH+]3)CC2)c1 ZINC000159864230 495826686 /nfs/dbraw/zinc/82/66/86/495826686.db2.gz ONQZGRZTSQFNHU-UHFFFAOYSA-N 1 2 370.840 3.485 20 70 FGIDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000159992264 495858654 /nfs/dbraw/zinc/85/86/54/495858654.db2.gz ODWFOIJAUSDLOY-JKSUJKDBSA-N 1 2 357.404 3.380 20 70 FGIDLO Cc1ccc(S(=O)(=O)c2ccc(C[N@@H+]3CCCC[C@@H]3CO)cc2)cc1 ZINC000160001382 495861006 /nfs/dbraw/zinc/86/10/06/495861006.db2.gz JUMLBNNPPALSIK-GOSISDBHSA-N 1 2 359.491 3.175 20 70 FGIDLO Cc1ccc(S(=O)(=O)c2ccc(C[N@H+]3CCCC[C@@H]3CO)cc2)cc1 ZINC000160001382 495861010 /nfs/dbraw/zinc/86/10/10/495861010.db2.gz JUMLBNNPPALSIK-GOSISDBHSA-N 1 2 359.491 3.175 20 70 FGIDLO CCC[C@@H](Cc1ccccc1)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160019053 495864483 /nfs/dbraw/zinc/86/44/83/495864483.db2.gz XDGGMIKPBJSBDF-FQEVSTJZSA-N 1 2 366.509 3.320 20 70 FGIDLO C[C@H](SCC[NH+]1CCOCC1)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000160035483 495868736 /nfs/dbraw/zinc/86/87/36/495868736.db2.gz PENVLTKYEWQYJN-ZDUSSCGKSA-N 1 2 367.902 3.440 20 70 FGIDLO COc1cc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)ccc1OC1CCCC1 ZINC000160045778 495870602 /nfs/dbraw/zinc/87/06/02/495870602.db2.gz UOOZHAYYQJMDMD-MRXNPFEDSA-N 1 2 369.465 3.092 20 70 FGIDLO C[C@@H](NC(=O)[C@@H](C)SCC[NH+]1CCOCC1)c1cc2ccccc2o1 ZINC000160057509 495874056 /nfs/dbraw/zinc/87/40/56/495874056.db2.gz DGQUACAABWLNDF-HUUCEWRRSA-N 1 2 362.495 3.064 20 70 FGIDLO COc1ccc([C@H](NC(=O)N2CC[C@@H](C)[C@H](C)C2)c2[nH+]ccn2C)cc1 ZINC000160054082 495874072 /nfs/dbraw/zinc/87/40/72/495874072.db2.gz OOHSNUNMSNWEQB-RKVPGOIHSA-N 1 2 356.470 3.206 20 70 FGIDLO Cc1nc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc(C2CC2)n1 ZINC000160131534 495891609 /nfs/dbraw/zinc/89/16/09/495891609.db2.gz PHSDEQFVAHSXRD-IBGZPJMESA-N 1 2 368.506 3.391 20 70 FGIDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ncccc1C(F)(F)F ZINC000160231034 495914394 /nfs/dbraw/zinc/91/43/94/495914394.db2.gz BPKNAYRCZPZWBG-UHFFFAOYSA-N 1 2 369.362 3.378 20 70 FGIDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1ncccc1C(F)(F)F ZINC000160231034 495914396 /nfs/dbraw/zinc/91/43/96/495914396.db2.gz BPKNAYRCZPZWBG-UHFFFAOYSA-N 1 2 369.362 3.378 20 70 FGIDLO O=C(NCc1cccc(COc2ccccc2)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160241823 495916852 /nfs/dbraw/zinc/91/68/52/495916852.db2.gz DRDAAKQCXHGFHL-IBGZPJMESA-N 1 2 361.445 3.341 20 70 FGIDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccccc1NC(C)=O ZINC000160252399 495918757 /nfs/dbraw/zinc/91/87/57/495918757.db2.gz IAEYWKRODOPWRL-UHFFFAOYSA-N 1 2 361.392 3.384 20 70 FGIDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccccc1NC(C)=O ZINC000160252399 495918762 /nfs/dbraw/zinc/91/87/62/495918762.db2.gz IAEYWKRODOPWRL-UHFFFAOYSA-N 1 2 361.392 3.384 20 70 FGIDLO C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000160266351 495922138 /nfs/dbraw/zinc/92/21/38/495922138.db2.gz BTWDDNSHQNXWQF-INIZCTEOSA-N 1 2 357.885 3.258 20 70 FGIDLO O=C(NCCn1cc[nH+]c1)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000160290361 495927870 /nfs/dbraw/zinc/92/78/70/495927870.db2.gz MYQRMTSCYJUXAE-ZDUSSCGKSA-N 1 2 369.252 3.053 20 70 FGIDLO COCC[N@H+](Cc1c(C)nn(C)c1OCC(F)(F)F)Cc1ccccc1 ZINC000160453718 495966031 /nfs/dbraw/zinc/96/60/31/495966031.db2.gz HFMGSRUMXBJDHJ-UHFFFAOYSA-N 1 2 371.403 3.318 20 70 FGIDLO COCC[N@@H+](Cc1c(C)nn(C)c1OCC(F)(F)F)Cc1ccccc1 ZINC000160453718 495966036 /nfs/dbraw/zinc/96/60/36/495966036.db2.gz HFMGSRUMXBJDHJ-UHFFFAOYSA-N 1 2 371.403 3.318 20 70 FGIDLO COCCOc1cccc(CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000160659322 496013967 /nfs/dbraw/zinc/01/39/67/496013967.db2.gz UDPWICKLPFSMNG-UHFFFAOYSA-N 1 2 351.406 3.079 20 70 FGIDLO CC(C)OCCOCc1cccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000160865226 496056135 /nfs/dbraw/zinc/05/61/35/496056135.db2.gz SRZVXJHOPHAFMU-QGZVFWFLSA-N 1 2 357.454 3.026 20 70 FGIDLO CC(C)c1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)cn1 ZINC000160865913 496056595 /nfs/dbraw/zinc/05/65/95/496056595.db2.gz OIANJUWLLWZTOO-FQEVSTJZSA-N 1 2 353.466 3.008 20 70 FGIDLO CC(C)(C)OC(=O)NCc1ccc(NC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000160996766 496082360 /nfs/dbraw/zinc/08/23/60/496082360.db2.gz CZHMUQFQGVSWGO-UHFFFAOYSA-N 1 2 373.457 3.120 20 70 FGIDLO O=C(N[C@@H]1CCc2c1cccc2Br)[C@H]1CCn2cc[nH+]c2C1 ZINC000161308113 496149335 /nfs/dbraw/zinc/14/93/35/496149335.db2.gz ROILSQCGRZCWAO-XHDPSFHLSA-N 1 2 360.255 3.012 20 70 FGIDLO O[C@@H](C1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1)C(F)(F)F ZINC000161407094 496170241 /nfs/dbraw/zinc/17/02/41/496170241.db2.gz LJJQTULNNGRZIE-AWEZNQCLSA-N 1 2 357.401 3.340 20 70 FGIDLO Cc1cc(N(C)C)ccc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000161431959 496176089 /nfs/dbraw/zinc/17/60/89/496176089.db2.gz LTLJEPRLSMKIGO-INIZCTEOSA-N 1 2 355.486 3.281 20 70 FGIDLO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000159404654 495724885 /nfs/dbraw/zinc/72/48/85/495724885.db2.gz TUSBAOABUKTLLV-HNNXBMFYSA-N 1 2 372.465 3.244 20 70 FGIDLO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000159404654 495724890 /nfs/dbraw/zinc/72/48/90/495724890.db2.gz TUSBAOABUKTLLV-HNNXBMFYSA-N 1 2 372.465 3.244 20 70 FGIDLO C[C@@H](c1ccc(NC(=O)c2cccc3nc[nH]c32)cc1)[NH+]1CCOCC1 ZINC000159428392 495731118 /nfs/dbraw/zinc/73/11/18/495731118.db2.gz IIBWDBYOOUSHGL-AWEZNQCLSA-N 1 2 350.422 3.208 20 70 FGIDLO C[C@@H](c1cccc(F)c1)N1CC[NH+](CC[S@](=O)c2ccccc2)CC1 ZINC000159465649 495737911 /nfs/dbraw/zinc/73/79/11/495737911.db2.gz QSEOCKQZWYSJEQ-SSOJOUAXSA-N 1 2 360.498 3.312 20 70 FGIDLO O=C(C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1)NCc1cccc(Cl)c1 ZINC000159654058 495779716 /nfs/dbraw/zinc/77/97/16/495779716.db2.gz VFWHRPHQRCHWDC-NRFANRHFSA-N 1 2 370.880 3.130 20 70 FGIDLO O=C(C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1)NCc1cccc(Cl)c1 ZINC000159654058 495779723 /nfs/dbraw/zinc/77/97/23/495779723.db2.gz VFWHRPHQRCHWDC-NRFANRHFSA-N 1 2 370.880 3.130 20 70 FGIDLO COc1cc(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)ccc1F ZINC000159718081 495793909 /nfs/dbraw/zinc/79/39/09/495793909.db2.gz ANMKAKSMCGYNRN-CQSZACIVSA-N 1 2 360.404 3.492 20 70 FGIDLO CC(C)CCn1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)n1 ZINC000159726610 495796394 /nfs/dbraw/zinc/79/63/94/495796394.db2.gz PXFQUWNCRQAUBS-KRWDZBQOSA-N 1 2 370.501 3.235 20 70 FGIDLO CC(C)[C@H](SCC[NH+]1CCOCC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000159822205 495816583 /nfs/dbraw/zinc/81/65/83/495816583.db2.gz QGDBJRIRXNRAFY-LPHOPBHVSA-N 1 2 362.539 3.054 20 70 FGIDLO CC[N@H+](Cc1c[nH]nc1-c1cccs1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159887165 495832830 /nfs/dbraw/zinc/83/28/30/495832830.db2.gz YNZYQCLEDSZPFR-UHFFFAOYSA-N 1 2 365.462 3.397 20 70 FGIDLO CC[N@@H+](Cc1c[nH]nc1-c1cccs1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159887165 495832833 /nfs/dbraw/zinc/83/28/33/495832833.db2.gz YNZYQCLEDSZPFR-UHFFFAOYSA-N 1 2 365.462 3.397 20 70 FGIDLO CC(C)(C)[C@@H](NC(=O)CSCC[NH+]1CCOCC1)c1cccs1 ZINC000160063021 495875719 /nfs/dbraw/zinc/87/57/19/495875719.db2.gz OUBNEYULCHTYJP-INIZCTEOSA-N 1 2 356.557 3.017 20 70 FGIDLO O=C(N[C@@H]1CCC[C@H]1c1ccccc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160162283 495898599 /nfs/dbraw/zinc/89/85/99/495898599.db2.gz ZQBQDUMAKIMGID-LEWJYISDSA-N 1 2 364.493 3.245 20 70 FGIDLO O=C([C@@H](c1ccccc1)[NH+]1CCC(c2ccn[nH]2)CC1)N1CCCCC1 ZINC000160538755 495987152 /nfs/dbraw/zinc/98/71/52/495987152.db2.gz TWNHGRGFRXHFHH-HXUWFJFHSA-N 1 2 352.482 3.343 20 70 FGIDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(C(=O)NC2CC2)cc1 ZINC000160565823 495993442 /nfs/dbraw/zinc/99/34/42/495993442.db2.gz ZOXCAHXBOCBFQM-UHFFFAOYSA-N 1 2 364.380 3.156 20 70 FGIDLO Cn1cc[nH+]c1CNC(=O)c1cc(C(F)(F)F)ccc1Br ZINC000160701570 496023166 /nfs/dbraw/zinc/02/31/66/496023166.db2.gz MVXXACMCOIMETM-UHFFFAOYSA-N 1 2 362.149 3.131 20 70 FGIDLO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000160763122 496037505 /nfs/dbraw/zinc/03/75/05/496037505.db2.gz YDGIDAXFGOCQDS-CYBMUJFWSA-N 1 2 374.489 3.075 20 70 FGIDLO O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000160807449 496046868 /nfs/dbraw/zinc/04/68/68/496046868.db2.gz MJVSJCNKNTZYJB-PKOBYXMFSA-N 1 2 354.454 3.150 20 70 FGIDLO CC(C)(C)c1ccccc1NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161165151 496117840 /nfs/dbraw/zinc/11/78/40/496117840.db2.gz YQIQJHIHMJBGLA-UHFFFAOYSA-N 1 2 366.509 3.135 20 70 FGIDLO Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000161277262 496142844 /nfs/dbraw/zinc/14/28/44/496142844.db2.gz HZUITVOEJQNZLI-CZUORRHYSA-N 1 2 358.404 3.266 20 70 FGIDLO Cc1ccc(O)c(C[N@@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)n1 ZINC000161438292 496176360 /nfs/dbraw/zinc/17/63/60/496176360.db2.gz YDJCCDPNGDVVKA-UHFFFAOYSA-N 1 2 354.237 3.473 20 70 FGIDLO CCCOc1cccc(CC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000161483464 496184067 /nfs/dbraw/zinc/18/40/67/496184067.db2.gz OIJIQZZVFUVJSI-UHFFFAOYSA-N 1 2 353.466 3.330 20 70 FGIDLO C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1nc(-c2ccccc2)cs1 ZINC000161483113 496184094 /nfs/dbraw/zinc/18/40/94/496184094.db2.gz PBMJBTHYITZNPO-HIFRSBDPSA-N 1 2 352.463 3.446 20 70 FGIDLO Cc1ccc(NC(=O)C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c(C)c1 ZINC000159449092 495736380 /nfs/dbraw/zinc/73/63/80/495736380.db2.gz NXIXWXHHJVYHRH-QFIPXVFZSA-N 1 2 350.462 3.416 20 70 FGIDLO Cc1ccc(NC(=O)C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)c(C)c1 ZINC000159449092 495736385 /nfs/dbraw/zinc/73/63/85/495736385.db2.gz NXIXWXHHJVYHRH-QFIPXVFZSA-N 1 2 350.462 3.416 20 70 FGIDLO Cc1[nH]nc(C(C)C)c1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000159633303 495774698 /nfs/dbraw/zinc/77/46/98/495774698.db2.gz FDIVNVMZXYWZRN-UHFFFAOYSA-N 1 2 351.454 3.059 20 70 FGIDLO Cc1n[nH]c(C(C)C)c1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000159633303 495774705 /nfs/dbraw/zinc/77/47/05/495774705.db2.gz FDIVNVMZXYWZRN-UHFFFAOYSA-N 1 2 351.454 3.059 20 70 FGIDLO Brc1ccccc1-c1nc(SCCn2cc[nH+]c2)n[nH]1 ZINC000159688825 495787921 /nfs/dbraw/zinc/78/79/21/495787921.db2.gz JWGJZXWKJLOLOC-UHFFFAOYSA-N 1 2 350.245 3.223 20 70 FGIDLO Brc1ccccc1-c1n[nH]c(SCCn2cc[nH+]c2)n1 ZINC000159688825 495787924 /nfs/dbraw/zinc/78/79/24/495787924.db2.gz JWGJZXWKJLOLOC-UHFFFAOYSA-N 1 2 350.245 3.223 20 70 FGIDLO C[C@@H](NC(=O)Nc1cccc(N2CCC(C)CC2)c1)[C@H](C)[NH+]1CCOCC1 ZINC000159720297 495794010 /nfs/dbraw/zinc/79/40/10/495794010.db2.gz YFYKIXUEGNUSPU-MSOLQXFVSA-N 1 2 374.529 3.154 20 70 FGIDLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000159774861 495806001 /nfs/dbraw/zinc/80/60/01/495806001.db2.gz OKSUDLJGMUMWNO-RTBURBONSA-N 1 2 370.518 3.309 20 70 FGIDLO Cc1cccc([C@@H](NC(=O)[C@@H](C)[NH+]2CCSCC2)c2ccccn2)c1 ZINC000159834504 495820244 /nfs/dbraw/zinc/82/02/44/495820244.db2.gz UVJHYFNSGUCTEQ-VQIMIIECSA-N 1 2 355.507 3.033 20 70 FGIDLO COc1cccc(C2(NC(=O)NCc3cc[nH+]c(N4CCCC4)c3)CC2)c1 ZINC000159858762 495826647 /nfs/dbraw/zinc/82/66/47/495826647.db2.gz ZOPJZYHVFQJGKN-UHFFFAOYSA-N 1 2 366.465 3.179 20 70 FGIDLO C[C@@H]1CCN(C(=O)c2cn(C)nc2-c2cccs2)C[C@H]1n1cc[nH+]c1 ZINC000159994780 495860132 /nfs/dbraw/zinc/86/01/32/495860132.db2.gz ADRASVYDMITVPA-UKRRQHHQSA-N 1 2 355.467 3.068 20 70 FGIDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CCO[C@H](c2ccsc2)C1 ZINC000160065542 495875881 /nfs/dbraw/zinc/87/58/81/495875881.db2.gz ZHJUARBXSKLLNR-KRWDZBQOSA-N 1 2 372.494 3.026 20 70 FGIDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2ccccc2OCC2CC2)CC1 ZINC000160260134 495921336 /nfs/dbraw/zinc/92/13/36/495921336.db2.gz RBNXKBPITHJRAX-UHFFFAOYSA-N 1 2 369.465 3.038 20 70 FGIDLO C[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000160266065 495922202 /nfs/dbraw/zinc/92/22/02/495922202.db2.gz PLIXYUGXPLQOKH-INIZCTEOSA-N 1 2 357.885 3.258 20 70 FGIDLO CC[C@]1(C)C[C@H]1C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000160286024 495926559 /nfs/dbraw/zinc/92/65/59/495926559.db2.gz OEYZLBOWHCFMGV-ABSDTBQOSA-N 1 2 357.454 3.079 20 70 FGIDLO O=C(NCc1ccccc1)c1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000160423983 495959718 /nfs/dbraw/zinc/95/97/18/495959718.db2.gz ASTFAIDHYGSTOP-GOSISDBHSA-N 1 2 374.444 3.014 20 70 FGIDLO Cc1ccc(NC(=O)N(C)CC[NH+]2CCOCC2)cc1OCCC(C)C ZINC000160447347 495965409 /nfs/dbraw/zinc/96/54/09/495965409.db2.gz UUQLWPQVSLABCF-UHFFFAOYSA-N 1 2 363.502 3.216 20 70 FGIDLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000160689884 496020945 /nfs/dbraw/zinc/02/09/45/496020945.db2.gz LRJQUOXILRVGRV-BCHFMIIMSA-N 1 2 374.481 3.191 20 70 FGIDLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000160689884 496020949 /nfs/dbraw/zinc/02/09/49/496020949.db2.gz LRJQUOXILRVGRV-BCHFMIIMSA-N 1 2 374.481 3.191 20 70 FGIDLO CC[NH+](CC)[C@H](C(=O)N(C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000160760950 496037306 /nfs/dbraw/zinc/03/73/06/496037306.db2.gz CNKHGQCEUMNOSY-IBGZPJMESA-N 1 2 374.506 3.136 20 70 FGIDLO COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[C@@H]1c1cc(C)ccc1C ZINC000160869707 496057594 /nfs/dbraw/zinc/05/75/94/496057594.db2.gz DVYQGVOOPLEMHV-QGZVFWFLSA-N 1 2 353.422 3.009 20 70 FGIDLO C[C@@H]1CC(NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C[C@@H](C)O1 ZINC000160880241 496060146 /nfs/dbraw/zinc/06/01/46/496060146.db2.gz NVUFKVXAGSGBMO-HUUCEWRRSA-N 1 2 358.442 3.040 20 70 FGIDLO O=C(NCCCn1cc[nH+]c1)Nc1cc(CC2CC2)nn1-c1ccccc1 ZINC000160929431 496068980 /nfs/dbraw/zinc/06/89/80/496068980.db2.gz OAVPYUVEVYVXDW-UHFFFAOYSA-N 1 2 364.453 3.233 20 70 FGIDLO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NC1CCCCC1 ZINC000161105357 496103863 /nfs/dbraw/zinc/10/38/63/496103863.db2.gz QNLIKKMGAVLMHP-IAGOWNOFSA-N 1 2 370.415 3.262 20 70 FGIDLO O=C(C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NC1CCCCC1 ZINC000161105357 496103867 /nfs/dbraw/zinc/10/38/67/496103867.db2.gz QNLIKKMGAVLMHP-IAGOWNOFSA-N 1 2 370.415 3.262 20 70 FGIDLO CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1 ZINC000161239994 496136015 /nfs/dbraw/zinc/13/60/15/496136015.db2.gz KOAWVEBRHNWPQV-MLGOLLRUSA-N 1 2 358.404 3.211 20 70 FGIDLO COc1ccc(-c2cnc(C[NH+]3CCC([C@@H](O)C(F)(F)F)CC3)o2)cc1 ZINC000161272724 496141779 /nfs/dbraw/zinc/14/17/79/496141779.db2.gz IVZKDVJBMIHJOE-QGZVFWFLSA-N 1 2 370.371 3.485 20 70 FGIDLO COc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1N ZINC000161278482 496143415 /nfs/dbraw/zinc/14/34/15/496143415.db2.gz GCOOKYXWWZUJBP-SFHVURJKSA-N 1 2 357.479 3.006 20 70 FGIDLO CC(=O)Nc1nc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)cs1 ZINC000161479423 496184158 /nfs/dbraw/zinc/18/41/58/496184158.db2.gz OXAIEDGWRNKSAX-KRWDZBQOSA-N 1 2 361.467 3.360 20 70 FGIDLO O=C(NCc1ccc(OCc2ccccc2)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000159393547 495723483 /nfs/dbraw/zinc/72/34/83/495723483.db2.gz BZXXIDVJILSMSB-IBGZPJMESA-N 1 2 361.445 3.341 20 70 FGIDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2nc(-c3ccoc3)no2)CC1 ZINC000159463019 495738140 /nfs/dbraw/zinc/73/81/40/495738140.db2.gz UHVKHHODTOVYBU-AWEZNQCLSA-N 1 2 356.401 3.348 20 70 FGIDLO C[C@H](C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1)C1CCOCC1 ZINC000159500227 495746572 /nfs/dbraw/zinc/74/65/72/495746572.db2.gz BEFXASZCRAGLSZ-HNNXBMFYSA-N 1 2 350.890 3.047 20 70 FGIDLO Cc1cccc([C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)nc2)c2ccccn2)c1 ZINC000159721392 495793707 /nfs/dbraw/zinc/79/37/07/495793707.db2.gz SVGWGNSJQITKCE-OAQYLSRUSA-N 1 2 369.428 3.490 20 70 FGIDLO COc1c(F)cc(NC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)cc1F ZINC000159735625 495797456 /nfs/dbraw/zinc/79/74/56/495797456.db2.gz AVZZHYRDLSZGFJ-LBPRGKRZSA-N 1 2 362.380 3.159 20 70 FGIDLO CCc1c(C(=O)C[N@H+](C)Cc2cccc(N(C)C)c2)[nH]c(C)c1C(C)=O ZINC000159824409 495818214 /nfs/dbraw/zinc/81/82/14/495818214.db2.gz QWTWIMKUVQHILN-UHFFFAOYSA-N 1 2 355.482 3.469 20 70 FGIDLO CCc1c(C(=O)C[N@@H+](C)Cc2cccc(N(C)C)c2)[nH]c(C)c1C(C)=O ZINC000159824409 495818219 /nfs/dbraw/zinc/81/82/19/495818219.db2.gz QWTWIMKUVQHILN-UHFFFAOYSA-N 1 2 355.482 3.469 20 70 FGIDLO CC(C)Cn1ncc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C1CC1 ZINC000159995643 495859485 /nfs/dbraw/zinc/85/94/85/495859485.db2.gz XRFFIRZTWPDPLO-QAPCUYQASA-N 1 2 355.486 3.336 20 70 FGIDLO O=C(N[C@@H]1CCc2cc(Br)ccc21)[C@H]1CCn2cc[nH+]c2C1 ZINC000160406085 495956230 /nfs/dbraw/zinc/95/62/30/495956230.db2.gz ZKQGKAJEWLEZMA-SWLSCSKDSA-N 1 2 360.255 3.012 20 70 FGIDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cccc4[nH]c(=O)oc43)n2)C1 ZINC000160516912 495980920 /nfs/dbraw/zinc/98/09/20/495980920.db2.gz AAFZZBDNMOXPBQ-LLVKDONJSA-N 1 2 372.450 3.062 20 70 FGIDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cccc4[nH]c(=O)oc43)n2)C1 ZINC000160516912 495980925 /nfs/dbraw/zinc/98/09/25/495980925.db2.gz AAFZZBDNMOXPBQ-LLVKDONJSA-N 1 2 372.450 3.062 20 70 FGIDLO CCC(CC)[C@H](C(=O)N[C@H]1CCOC2(CCCCC2)C1)[NH+]1CCOCC1 ZINC000160543783 495988588 /nfs/dbraw/zinc/98/85/88/495988588.db2.gz RSTKWDIXNLNPQQ-RBUKOAKNSA-N 1 2 366.546 3.122 20 70 FGIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000160599329 496000714 /nfs/dbraw/zinc/00/07/14/496000714.db2.gz HHKIRMPKUBBPKV-ZIAGYGMSSA-N 1 2 358.404 3.036 20 70 FGIDLO C[N@@H+]1CC[C@H](NC(=O)NCc2cccs2)[C@@H]1c1ccc(F)c(F)c1 ZINC000160701862 496023049 /nfs/dbraw/zinc/02/30/49/496023049.db2.gz ATFXKDJCFRAUEM-HOTGVXAUSA-N 1 2 351.422 3.271 20 70 FGIDLO C[N@H+]1CC[C@H](NC(=O)NCc2cccs2)[C@@H]1c1ccc(F)c(F)c1 ZINC000160701862 496023054 /nfs/dbraw/zinc/02/30/54/496023054.db2.gz ATFXKDJCFRAUEM-HOTGVXAUSA-N 1 2 351.422 3.271 20 70 FGIDLO COc1ccc(-c2cncc(C(=O)NCCc3cn4ccccc4[nH+]3)c2)cc1 ZINC000160836260 496050821 /nfs/dbraw/zinc/05/08/21/496050821.db2.gz IXTXCZKQJWLTIS-UHFFFAOYSA-N 1 2 372.428 3.377 20 70 FGIDLO CCC[N@H+](Cc1cc(C(F)(F)F)ccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000161103510 496104174 /nfs/dbraw/zinc/10/41/74/496104174.db2.gz AYOKDDQSCFRIQS-CYBMUJFWSA-N 1 2 353.381 3.244 20 70 FGIDLO CCC[N@@H+](Cc1cc(C(F)(F)F)ccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000161103510 496104181 /nfs/dbraw/zinc/10/41/81/496104181.db2.gz AYOKDDQSCFRIQS-CYBMUJFWSA-N 1 2 353.381 3.244 20 70 FGIDLO Cc1nc(-c2cccc(NC(=O)[C@@H](C(C)C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)no1 ZINC000161223866 496131087 /nfs/dbraw/zinc/13/10/87/496131087.db2.gz CQEZXARJXUENPT-QWQRMKEZSA-N 1 2 372.469 3.117 20 70 FGIDLO Cc1nc(-c2cccc(NC(=O)[C@@H](C(C)C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)no1 ZINC000161223866 496131090 /nfs/dbraw/zinc/13/10/90/496131090.db2.gz CQEZXARJXUENPT-QWQRMKEZSA-N 1 2 372.469 3.117 20 70 FGIDLO CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1 ZINC000161239752 496134965 /nfs/dbraw/zinc/13/49/65/496134965.db2.gz KOAWVEBRHNWPQV-WBMJQRKESA-N 1 2 358.404 3.211 20 70 FGIDLO CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1 ZINC000161240125 496135503 /nfs/dbraw/zinc/13/55/03/496135503.db2.gz KOAWVEBRHNWPQV-BLLLJJGKSA-N 1 2 358.404 3.211 20 70 FGIDLO CC(C)c1cc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)n(C)n1 ZINC000161395084 496167554 /nfs/dbraw/zinc/16/75/54/496167554.db2.gz GMXKPNBWTSVBPV-UHFFFAOYSA-N 1 2 360.889 3.155 20 70 FGIDLO Cc1cccc([C@@H]2CCCN2C(=O)NCc2cc[nH+]c(N3CCCC3)c2)n1 ZINC000159381908 495721012 /nfs/dbraw/zinc/72/10/12/495721012.db2.gz QKUJVICQSOWGDT-IBGZPJMESA-N 1 2 365.481 3.432 20 70 FGIDLO COc1ccc2c(c1)C[N@@H+](Cc1nnc(-c3ccccc3OC)o1)CC2 ZINC000159623979 495772173 /nfs/dbraw/zinc/77/21/73/495772173.db2.gz DGRVDRDOJYRWHL-UHFFFAOYSA-N 1 2 351.406 3.312 20 70 FGIDLO COc1ccc2c(c1)C[N@H+](Cc1nnc(-c3ccccc3OC)o1)CC2 ZINC000159623979 495772177 /nfs/dbraw/zinc/77/21/77/495772177.db2.gz DGRVDRDOJYRWHL-UHFFFAOYSA-N 1 2 351.406 3.312 20 70 FGIDLO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CSCC[NH+]1CCOCC1 ZINC000159946336 495848024 /nfs/dbraw/zinc/84/80/24/495848024.db2.gz XCKRDTQNVRJCQS-HNNXBMFYSA-N 1 2 362.495 3.018 20 70 FGIDLO C[C@H]1CCN(C(=O)c2cn(C)nc2-c2cccs2)C[C@@H]1n1cc[nH+]c1 ZINC000159994663 495859591 /nfs/dbraw/zinc/85/95/91/495859591.db2.gz ADRASVYDMITVPA-ZFWWWQNUSA-N 1 2 355.467 3.068 20 70 FGIDLO Cc1noc(C)c1[C@H](C)CC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000160173862 495901160 /nfs/dbraw/zinc/90/11/60/495901160.db2.gz QCWGNVMWICUQMX-CQSZACIVSA-N 1 2 359.445 3.269 20 70 FGIDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc([S@](C)=O)cc1 ZINC000160253134 495918916 /nfs/dbraw/zinc/91/89/16/495918916.db2.gz JILGMTUQFLPXPD-RUZDIDTESA-N 1 2 366.433 3.163 20 70 FGIDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc([S@](C)=O)cc1 ZINC000160253134 495918921 /nfs/dbraw/zinc/91/89/21/495918921.db2.gz JILGMTUQFLPXPD-RUZDIDTESA-N 1 2 366.433 3.163 20 70 FGIDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@]2(C)CCCc3ccccc32)CC1 ZINC000160259725 495921511 /nfs/dbraw/zinc/92/15/11/495921511.db2.gz VKOXYIREVXTQIR-JOCHJYFZSA-N 1 2 367.493 3.230 20 70 FGIDLO CCc1ccc(C[NH+]2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)o1 ZINC000160333182 495937935 /nfs/dbraw/zinc/93/79/35/495937935.db2.gz ZKXKSPSMQZDWGB-UHFFFAOYSA-N 1 2 351.450 3.210 20 70 FGIDLO Cc1[nH+]c2ccccn2c1CN1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000160552732 495990465 /nfs/dbraw/zinc/99/04/65/495990465.db2.gz WMUWLCQTNOAAGH-UHFFFAOYSA-N 1 2 368.868 3.141 20 70 FGIDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc([S@@](C)=O)cc1 ZINC000160900451 496064027 /nfs/dbraw/zinc/06/40/27/496064027.db2.gz GNVJXLVNTBIEIZ-SANMLTNESA-N 1 2 374.506 3.283 20 70 FGIDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc([S@@](C)=O)cc1 ZINC000160900451 496064032 /nfs/dbraw/zinc/06/40/32/496064032.db2.gz GNVJXLVNTBIEIZ-SANMLTNESA-N 1 2 374.506 3.283 20 70 FGIDLO C[C@H]1CCc2ccccc2[C@H]1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161025372 496088159 /nfs/dbraw/zinc/08/81/59/496088159.db2.gz DKAIODXKJIDUEO-UWJYYQICSA-N 1 2 364.493 3.232 20 70 FGIDLO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cc(F)cc(Cl)c2O)o1 ZINC000161042215 496091514 /nfs/dbraw/zinc/09/15/14/496091514.db2.gz ZAWJBXBCDTWWIX-UHFFFAOYSA-N 1 2 354.809 3.290 20 70 FGIDLO CCC[N@H+](Cc1cnc(-c2ccsc2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000161095181 496102107 /nfs/dbraw/zinc/10/21/07/496102107.db2.gz BGPPOPJDYDLMRJ-CYBMUJFWSA-N 1 2 356.538 3.271 20 70 FGIDLO CCC[N@@H+](Cc1cnc(-c2ccsc2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000161095181 496102111 /nfs/dbraw/zinc/10/21/11/496102111.db2.gz BGPPOPJDYDLMRJ-CYBMUJFWSA-N 1 2 356.538 3.271 20 70 FGIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000161162147 496118052 /nfs/dbraw/zinc/11/80/52/496118052.db2.gz YMBKJFMYVUUTOM-INIZCTEOSA-N 1 2 366.465 3.058 20 70 FGIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000161162147 496118057 /nfs/dbraw/zinc/11/80/57/496118057.db2.gz YMBKJFMYVUUTOM-INIZCTEOSA-N 1 2 366.465 3.058 20 70 FGIDLO Cc1nc2cc(F)ccc2cc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161377474 496163354 /nfs/dbraw/zinc/16/33/54/496163354.db2.gz WNOZQLAUUTVFKI-INIZCTEOSA-N 1 2 350.397 3.086 20 70 FGIDLO CC(C)[C@@H](NC(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1)c1ccccc1 ZINC000161479426 496184471 /nfs/dbraw/zinc/18/44/71/496184471.db2.gz LMUSPGJTJYIYMJ-MSOLQXFVSA-N 1 2 372.431 3.135 20 70 FGIDLO CCC1(CC)[C@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[C@H]1OC ZINC000159376691 495719397 /nfs/dbraw/zinc/71/93/97/495719397.db2.gz FYBPVVHMYIRFHD-IAGOWNOFSA-N 1 2 360.502 3.075 20 70 FGIDLO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)C(=O)N1CCC2(CCC2)C1 ZINC000159458337 495737019 /nfs/dbraw/zinc/73/70/19/495737019.db2.gz DECJFLOYBLRWAV-UHFFFAOYSA-N 1 2 351.406 3.215 20 70 FGIDLO C[C@@H](c1cccc(F)c1)N1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000159465380 495738238 /nfs/dbraw/zinc/73/82/38/495738238.db2.gz QSEOCKQZWYSJEQ-GKVSMKOHSA-N 1 2 360.498 3.312 20 70 FGIDLO Cn1cnc2cc(C(=O)Nc3ccc(-n4cc[nH+]c4)c(Cl)c3)cnc21 ZINC000159657533 495779639 /nfs/dbraw/zinc/77/96/39/495779639.db2.gz QLTZRMMKGCVVOD-UHFFFAOYSA-N 1 2 352.785 3.060 20 70 FGIDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1)C1CCOCC1 ZINC000159831143 495819612 /nfs/dbraw/zinc/81/96/12/495819612.db2.gz XOVJUJAYAYFXAZ-OAHLLOKOSA-N 1 2 350.890 3.047 20 70 FGIDLO C[N@@H+](Cc1noc(C2CCCCC2)n1)C[C@@H]1CCCN1c1cccnn1 ZINC000159896903 495834778 /nfs/dbraw/zinc/83/47/78/495834778.db2.gz HFYGFMZQTMSZIO-INIZCTEOSA-N 1 2 356.474 3.008 20 70 FGIDLO C[N@H+](Cc1noc(C2CCCCC2)n1)C[C@@H]1CCCN1c1cccnn1 ZINC000159896903 495834781 /nfs/dbraw/zinc/83/47/81/495834781.db2.gz HFYGFMZQTMSZIO-INIZCTEOSA-N 1 2 356.474 3.008 20 70 FGIDLO CC(C)c1nn(C)c(Cl)c1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000159992527 495858100 /nfs/dbraw/zinc/85/81/00/495858100.db2.gz HUPANTVIHKCNJF-UHFFFAOYSA-N 1 2 361.877 3.122 20 70 FGIDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)C(C)(C)c1ccccc1 ZINC000160025127 495866238 /nfs/dbraw/zinc/86/62/38/495866238.db2.gz VWDPYFJEBLMILS-SFHVURJKSA-N 1 2 366.509 3.275 20 70 FGIDLO COc1cc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)ccc1OC1CCCC1 ZINC000160045870 495870893 /nfs/dbraw/zinc/87/08/93/495870893.db2.gz UOOZHAYYQJMDMD-INIZCTEOSA-N 1 2 369.465 3.092 20 70 FGIDLO C[C@H](Cc1cccc(Cl)c1)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000160266492 495922614 /nfs/dbraw/zinc/92/26/14/495922614.db2.gz BTWDDNSHQNXWQF-MRXNPFEDSA-N 1 2 357.885 3.258 20 70 FGIDLO Cc1cc(N)nc(S[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)[nH+]1 ZINC000160425175 495960615 /nfs/dbraw/zinc/96/06/15/495960615.db2.gz VQTQEXLBUXALJG-GFCCVEGCSA-N 1 2 352.822 3.057 20 70 FGIDLO CCOc1ccc(C2(C[NH2+][C@@H](C)C(=O)OC(C)(C)C)CCOCC2)cc1 ZINC000160817179 496047266 /nfs/dbraw/zinc/04/72/66/496047266.db2.gz QVCMQYVOGQNOGT-INIZCTEOSA-N 1 2 363.498 3.453 20 70 FGIDLO CS[C@H](C)CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000160892334 496062214 /nfs/dbraw/zinc/06/22/14/496062214.db2.gz YDBMCSNOCDSNPL-RBSFLKMASA-N 1 2 351.516 3.169 20 70 FGIDLO COC(=O)CC[N@H+](Cc1c(C)nc2ccccn21)Cc1cccc(F)c1F ZINC000160902684 496064115 /nfs/dbraw/zinc/06/41/15/496064115.db2.gz WCZBHZRSZJLHMC-UHFFFAOYSA-N 1 2 373.403 3.486 20 70 FGIDLO COC(=O)CC[N@@H+](Cc1c(C)nc2ccccn21)Cc1cccc(F)c1F ZINC000160902684 496064124 /nfs/dbraw/zinc/06/41/24/496064124.db2.gz WCZBHZRSZJLHMC-UHFFFAOYSA-N 1 2 373.403 3.486 20 70 FGIDLO CC[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)c1nccs1 ZINC000161070758 496097491 /nfs/dbraw/zinc/09/74/91/496097491.db2.gz JYISZFRLEJYSPQ-VXGBXAGGSA-N 1 2 354.273 3.173 20 70 FGIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cccnc1SC(F)(F)F ZINC000161311467 496150694 /nfs/dbraw/zinc/15/06/94/496150694.db2.gz WEYOMDWIWBDRLP-NSHDSACASA-N 1 2 368.384 3.097 20 70 FGIDLO Cc1ccc(-c2nnc(C[NH+]3CCC([C@@H](O)C(F)(F)F)CC3)o2)cc1 ZINC000161356766 496158733 /nfs/dbraw/zinc/15/87/33/496158733.db2.gz VMHGUWXRQQJILG-OAHLLOKOSA-N 1 2 355.360 3.180 20 70 FGIDLO Cc1cccc(-c2noc(C[NH+]3CCC([C@H](O)C(F)(F)F)CC3)n2)c1 ZINC000161359401 496160275 /nfs/dbraw/zinc/16/02/75/496160275.db2.gz DWSYTVKETJTUES-HNNXBMFYSA-N 1 2 355.360 3.180 20 70 FGIDLO O=C(Cc1c[nH]c2ccc(Cl)cc12)N1CC[NH+](Cc2cccnc2)CC1 ZINC000159384079 495721606 /nfs/dbraw/zinc/72/16/06/495721606.db2.gz QFFQQIBVIZBUJP-UHFFFAOYSA-N 1 2 368.868 3.103 20 70 FGIDLO COc1ccccc1[C@@H](NC(=O)NC[C@]1(C)CCCS1)c1[nH+]ccn1C ZINC000159518163 495750284 /nfs/dbraw/zinc/75/02/84/495750284.db2.gz ZYKYRHHWMBWIFX-APWZRJJASA-N 1 2 374.510 3.103 20 70 FGIDLO C[C@@H](NC(=O)Nc1cccc(N2CCC(C)CC2)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000159720075 495793924 /nfs/dbraw/zinc/79/39/24/495793924.db2.gz YFYKIXUEGNUSPU-QZTJIDSGSA-N 1 2 374.529 3.154 20 70 FGIDLO CN(C)c1cccc(C[N@H+](C)Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)c1 ZINC000159776574 495807108 /nfs/dbraw/zinc/80/71/08/495807108.db2.gz ZMFBEQOTKBCVSO-UHFFFAOYSA-N 1 2 368.506 3.171 20 70 FGIDLO CN(C)c1cccc(C[N@@H+](C)Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)c1 ZINC000159776574 495807111 /nfs/dbraw/zinc/80/71/11/495807111.db2.gz ZMFBEQOTKBCVSO-UHFFFAOYSA-N 1 2 368.506 3.171 20 70 FGIDLO CN(C)c1cccc(C[N@H+](C)Cc2nc(-c3ccc4c(c3)OCO4)no2)c1 ZINC000159809993 495814588 /nfs/dbraw/zinc/81/45/88/495814588.db2.gz VWUGTOFZSDDKLE-UHFFFAOYSA-N 1 2 366.421 3.163 20 70 FGIDLO CN(C)c1cccc(C[N@@H+](C)Cc2nc(-c3ccc4c(c3)OCO4)no2)c1 ZINC000159809993 495814590 /nfs/dbraw/zinc/81/45/90/495814590.db2.gz VWUGTOFZSDDKLE-UHFFFAOYSA-N 1 2 366.421 3.163 20 70 FGIDLO Cc1cnccc1CCNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000159884650 495833154 /nfs/dbraw/zinc/83/31/54/495833154.db2.gz URNGROCIAOUNFO-MRXNPFEDSA-N 1 2 358.511 3.082 20 70 FGIDLO COc1ccc(-c2nc(CSCC[NH+]3CCOCC3)cs2)cc1 ZINC000160046978 495871107 /nfs/dbraw/zinc/87/11/07/495871107.db2.gz QPWADPYAAASKKO-UHFFFAOYSA-N 1 2 350.509 3.384 20 70 FGIDLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc3c(c2)OCCCO3)n1 ZINC000160047875 495872264 /nfs/dbraw/zinc/87/22/64/495872264.db2.gz JIYQJHHELCKZOF-GOSISDBHSA-N 1 2 367.449 3.327 20 70 FGIDLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc3c(c2)OCCCO3)n1 ZINC000160047875 495872275 /nfs/dbraw/zinc/87/22/75/495872275.db2.gz JIYQJHHELCKZOF-GOSISDBHSA-N 1 2 367.449 3.327 20 70 FGIDLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(F)cc(F)c1 ZINC000160211018 495910679 /nfs/dbraw/zinc/91/06/79/495910679.db2.gz JXHDXUGCRRDUNL-UHFFFAOYSA-N 1 2 361.392 3.384 20 70 FGIDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(F)cc(F)c1 ZINC000160211018 495910686 /nfs/dbraw/zinc/91/06/86/495910686.db2.gz JXHDXUGCRRDUNL-UHFFFAOYSA-N 1 2 361.392 3.384 20 70 FGIDLO CC[N@H+](Cc1ccc(-c2ccc(F)cc2C)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000160559004 495991545 /nfs/dbraw/zinc/99/15/45/495991545.db2.gz QWDWWKHGFIHRDF-OAHLLOKOSA-N 1 2 351.443 3.403 20 70 FGIDLO CC[N@@H+](Cc1ccc(-c2ccc(F)cc2C)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000160559004 495991547 /nfs/dbraw/zinc/99/15/47/495991547.db2.gz QWDWWKHGFIHRDF-OAHLLOKOSA-N 1 2 351.443 3.403 20 70 FGIDLO Clc1cccnc1N1CC[C@H](Nc2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000160766891 496038182 /nfs/dbraw/zinc/03/81/82/496038182.db2.gz ULHSKGDEZIUWFE-AWEZNQCLSA-N 1 2 358.877 3.206 20 70 FGIDLO Clc1cccnc1N1CC[C@H](Nc2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000160766891 496038188 /nfs/dbraw/zinc/03/81/88/496038188.db2.gz ULHSKGDEZIUWFE-AWEZNQCLSA-N 1 2 358.877 3.206 20 70 FGIDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCc2ncccc2F)C[C@@H](C)O1 ZINC000160897670 496062978 /nfs/dbraw/zinc/06/29/78/496062978.db2.gz GLZZMBULRPPISV-HUUCEWRRSA-N 1 2 372.444 3.152 20 70 FGIDLO CCO[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(N(CC)CC)[nH+]c2)C12CCC2 ZINC000160955948 496074713 /nfs/dbraw/zinc/07/47/13/496074713.db2.gz GCJPTXXZEDPDHQ-MSOLQXFVSA-N 1 2 374.529 3.417 20 70 FGIDLO CC[C@@H](C(=O)Nc1cccc(C[NH+]2CCOCC2)c1)c1c(C)noc1C ZINC000161025753 496088143 /nfs/dbraw/zinc/08/81/43/496088143.db2.gz SALODKYMZPOVFV-GOSISDBHSA-N 1 2 357.454 3.256 20 70 FGIDLO COc1ccc(CCNC(=O)NCCCNc2cccc[nH+]2)c(Cl)c1 ZINC000161037381 496090297 /nfs/dbraw/zinc/09/02/97/496090297.db2.gz UACOAOUTANCZJA-UHFFFAOYSA-N 1 2 362.861 3.088 20 70 FGIDLO COc1cccc(Cl)c1CC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000161072747 496098195 /nfs/dbraw/zinc/09/81/95/496098195.db2.gz WOYTYEZAKCARQC-UHFFFAOYSA-N 1 2 359.857 3.025 20 70 FGIDLO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161115013 496106191 /nfs/dbraw/zinc/10/61/91/496106191.db2.gz QYLQUMWPCBTWQO-DGCLKSJQSA-N 1 2 352.265 3.500 20 70 FGIDLO Cn1cnnc1[C@H]1CCCN1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000161215685 496129657 /nfs/dbraw/zinc/12/96/57/496129657.db2.gz POFSULKCSYGSNY-QGZVFWFLSA-N 1 2 364.409 3.371 20 70 FGIDLO C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161239375 496134804 /nfs/dbraw/zinc/13/48/04/496134804.db2.gz PFYHRYJFDNXUHL-SMDDNHRTSA-N 1 2 355.360 3.433 20 70 FGIDLO COc1ccc(-c2cncc(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)c2)cc1 ZINC000161246514 496137080 /nfs/dbraw/zinc/13/70/80/496137080.db2.gz ABABKQBXBLAMAT-IBGZPJMESA-N 1 2 374.444 3.161 20 70 FGIDLO C[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1c(F)cccc1F ZINC000161267134 496140606 /nfs/dbraw/zinc/14/06/06/496140606.db2.gz MFIYWRQPZPNLMP-RDJZCZTQSA-N 1 2 374.431 3.086 20 70 FGIDLO C[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1c(F)cccc1F ZINC000161267134 496140609 /nfs/dbraw/zinc/14/06/09/496140609.db2.gz MFIYWRQPZPNLMP-RDJZCZTQSA-N 1 2 374.431 3.086 20 70 FGIDLO O=C(N[C@@H]1CCCc2sccc21)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161282618 496144090 /nfs/dbraw/zinc/14/40/90/496144090.db2.gz LVWKCEFRWXITIA-QGZVFWFLSA-N 1 2 356.495 3.048 20 70 FGIDLO O=C(N[C@H]1CCc2c1cccc2Br)[C@H]1CCn2cc[nH+]c2C1 ZINC000161307983 496149354 /nfs/dbraw/zinc/14/93/54/496149354.db2.gz ROILSQCGRZCWAO-NHYWBVRUSA-N 1 2 360.255 3.012 20 70 FGIDLO Cc1ccc(C(=O)CCC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1C ZINC000159590489 495765690 /nfs/dbraw/zinc/76/56/90/495765690.db2.gz OKCVFCHHZIURTC-UHFFFAOYSA-N 1 2 374.525 3.083 20 70 FGIDLO COc1cc(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)ccc1Cl ZINC000159754550 495801534 /nfs/dbraw/zinc/80/15/34/495801534.db2.gz PHXNGNBFAQJDJS-UHFFFAOYSA-N 1 2 373.884 3.348 20 70 FGIDLO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000159774613 495806020 /nfs/dbraw/zinc/80/60/20/495806020.db2.gz OKSUDLJGMUMWNO-MOPGFXCFSA-N 1 2 370.518 3.309 20 70 FGIDLO O=C(Nc1ccc(OC(F)(F)F)cc1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159864080 495826857 /nfs/dbraw/zinc/82/68/57/495826857.db2.gz OYZGSTFBLSCGTN-ZDUSSCGKSA-N 1 2 366.343 3.381 20 70 FGIDLO O=C(Nc1ccccc1N1CCCCC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159970744 495853769 /nfs/dbraw/zinc/85/37/69/495853769.db2.gz VOPTVSPFKQXKEJ-KRWDZBQOSA-N 1 2 365.481 3.472 20 70 FGIDLO OC1(C[N@@H+]2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)CCOCC1 ZINC000160048144 495872654 /nfs/dbraw/zinc/87/26/54/495872654.db2.gz VGSSMSPEIMOFDH-HNNXBMFYSA-N 1 2 364.244 3.047 20 70 FGIDLO OC1(C[N@H+]2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)CCOCC1 ZINC000160048144 495872656 /nfs/dbraw/zinc/87/26/56/495872656.db2.gz VGSSMSPEIMOFDH-HNNXBMFYSA-N 1 2 364.244 3.047 20 70 FGIDLO O=C(NCc1ccc2ccccc2c1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160071179 495876771 /nfs/dbraw/zinc/87/67/71/495876771.db2.gz MBNKCMSUPGHRHF-UHFFFAOYSA-N 1 2 360.461 3.262 20 70 FGIDLO Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)cc2F)n1 ZINC000160133031 495893155 /nfs/dbraw/zinc/89/31/55/495893155.db2.gz YADVMRZZBLSHEY-CQSZACIVSA-N 1 2 353.401 3.026 20 70 FGIDLO O=C(NCc1cccc(-c2ccccn2)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000160273313 495925350 /nfs/dbraw/zinc/92/53/50/495925350.db2.gz CFGKBZXYUDSHNF-UHFFFAOYSA-N 1 2 361.449 3.492 20 70 FGIDLO O=C(Nc1cccc(N2CCCC2)c1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000160355630 495943468 /nfs/dbraw/zinc/94/34/68/495943468.db2.gz ZRDDKBOADDUILY-SFHVURJKSA-N 1 2 365.481 3.472 20 70 FGIDLO CC(C)(C)n1cc(C[N@@H+]2CCC[C@H]2C(N)=O)c(-c2ccccc2Cl)n1 ZINC000160366094 495946098 /nfs/dbraw/zinc/94/60/98/495946098.db2.gz HRSFJABPVYHNSL-INIZCTEOSA-N 1 2 360.889 3.408 20 70 FGIDLO CC(C)(C)n1cc(C[N@H+]2CCC[C@H]2C(N)=O)c(-c2ccccc2Cl)n1 ZINC000160366094 495946102 /nfs/dbraw/zinc/94/61/02/495946102.db2.gz HRSFJABPVYHNSL-INIZCTEOSA-N 1 2 360.889 3.408 20 70 FGIDLO CC(C)c1csc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)n1 ZINC000160574815 495995241 /nfs/dbraw/zinc/99/52/41/495995241.db2.gz DEBOVWXLMTUUCN-IBGZPJMESA-N 1 2 373.522 3.081 20 70 FGIDLO Cc1cccc(-c2cncc(C(=O)N3CC[NH+](Cc4ccncc4)CC3)c2)c1 ZINC000160693119 496022387 /nfs/dbraw/zinc/02/23/87/496022387.db2.gz BYTHWVRBGNLAOT-UHFFFAOYSA-N 1 2 372.472 3.410 20 70 FGIDLO CC[NH+](CC)[C@@H](C(=O)N(C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000160761080 496037115 /nfs/dbraw/zinc/03/71/15/496037115.db2.gz CNKHGQCEUMNOSY-LJQANCHMSA-N 1 2 374.506 3.136 20 70 FGIDLO Cc1c(NC(=O)NCCCn2cc[nH+]c2)cnn1-c1cc(C)ccc1C ZINC000160886083 496061072 /nfs/dbraw/zinc/06/10/72/496061072.db2.gz DYBRIZOKPBBFAW-UHFFFAOYSA-N 1 2 352.442 3.206 20 70 FGIDLO CCOCc1cccc(NC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000160888092 496061111 /nfs/dbraw/zinc/06/11/11/496061111.db2.gz DFRLFOVUOGDKCP-SFHVURJKSA-N 1 2 354.454 3.409 20 70 FGIDLO CS[C@H](C)CNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000160892223 496062529 /nfs/dbraw/zinc/06/25/29/496062529.db2.gz YDBMCSNOCDSNPL-SOUVJXGZSA-N 1 2 351.516 3.169 20 70 FGIDLO CN(C)c1c(Cl)cccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160932327 496070481 /nfs/dbraw/zinc/07/04/81/496070481.db2.gz DPNJURDGANZQRQ-CYBMUJFWSA-N 1 2 359.861 3.201 20 70 FGIDLO O=C(NC1(c2cccc(Br)c2)CCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161045591 496091978 /nfs/dbraw/zinc/09/19/78/496091978.db2.gz ITXJENJFRBVAOM-CYBMUJFWSA-N 1 2 374.282 3.404 20 70 FGIDLO COc1ccc(NC(=O)NCCNc2ccc3ccccc3[nH+]2)c(OC)c1 ZINC000161160564 496117217 /nfs/dbraw/zinc/11/72/17/496117217.db2.gz NBFNBJQUOCCJKK-UHFFFAOYSA-N 1 2 366.421 3.486 20 70 FGIDLO CCc1ccc2c(CN3CC[NH+](Cc4ccncc4)CC3)cc(=O)oc2c1 ZINC000161213814 496128274 /nfs/dbraw/zinc/12/82/74/496128274.db2.gz IROFRSHACKMAOU-UHFFFAOYSA-N 1 2 363.461 3.068 20 70 FGIDLO CCc1ccc2c(C[NH+]3CCN(Cc4ccncc4)CC3)cc(=O)oc2c1 ZINC000161213814 496128279 /nfs/dbraw/zinc/12/82/79/496128279.db2.gz IROFRSHACKMAOU-UHFFFAOYSA-N 1 2 363.461 3.068 20 70 FGIDLO Cc1nc(-c2cccc(NC(=O)[C@H](C(C)C)[NH+]3C[C@@H](C)O[C@H](C)C3)c2)no1 ZINC000161224194 496130942 /nfs/dbraw/zinc/13/09/42/496130942.db2.gz CQEZXARJXUENPT-LBTNJELSSA-N 1 2 372.469 3.117 20 70 FGIDLO Cc1cc(C)c(Br)c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000161356296 496158500 /nfs/dbraw/zinc/15/85/00/496158500.db2.gz RJVJKRRUNCRHRK-CQSZACIVSA-N 1 2 374.282 3.470 20 70 FGIDLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c(C)c1 ZINC000161461158 496180575 /nfs/dbraw/zinc/18/05/75/496180575.db2.gz BLJSUQBSSDFXKG-CZUORRHYSA-N 1 2 358.404 3.266 20 70 FGIDLO COc1ccccc1[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000161504882 496188512 /nfs/dbraw/zinc/18/85/12/496188512.db2.gz CPSPXNBJBZKMHM-UWJYYQICSA-N 1 2 361.445 3.360 20 70 FGIDLO CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000159376837 495719268 /nfs/dbraw/zinc/71/92/68/495719268.db2.gz FYBPVVHMYIRFHD-DLBZAZTESA-N 1 2 360.502 3.075 20 70 FGIDLO CC(C)[C@@H](SCC[NH+]1CCOCC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000159821947 495816922 /nfs/dbraw/zinc/81/69/22/495816922.db2.gz QGDBJRIRXNRAFY-QFBILLFUSA-N 1 2 362.539 3.054 20 70 FGIDLO CCC[C@H](NC(=O)[C@@H](C)SCC[NH+]1CCOCC1)c1ccccc1 ZINC000160047656 495872215 /nfs/dbraw/zinc/87/22/15/495872215.db2.gz QHLIUVVMCBTNNW-AEFFLSMTSA-N 1 2 350.528 3.098 20 70 FGIDLO CC[C@H](OC1CCCCC1)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000160251593 495918725 /nfs/dbraw/zinc/91/87/25/495918725.db2.gz MKIQLQCLMBZNSN-SFTDATJTSA-N 1 2 374.525 3.304 20 70 FGIDLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccc(F)cc1F ZINC000160332761 495937657 /nfs/dbraw/zinc/93/76/57/495937657.db2.gz ZLWFJQMURIYKAI-LJQANCHMSA-N 1 2 374.435 3.338 20 70 FGIDLO COc1ccc([C@H](NC(=O)/C=C/c2cncc(C)c2)c2[nH+]ccn2C)cc1 ZINC000160336660 495939029 /nfs/dbraw/zinc/93/90/29/495939029.db2.gz VABSKPBEUDBZTO-ZTJJKMQJSA-N 1 2 362.433 3.051 20 70 FGIDLO COc1ccccc1C[N@@H+](C)Cc1c(C)nn(C)c1OCC(F)(F)F ZINC000160425490 495960605 /nfs/dbraw/zinc/96/06/05/495960605.db2.gz HNUSJQZSZAYGMO-UHFFFAOYSA-N 1 2 357.376 3.310 20 70 FGIDLO COc1ccccc1C[N@H+](C)Cc1c(C)nn(C)c1OCC(F)(F)F ZINC000160425490 495960600 /nfs/dbraw/zinc/96/06/00/495960600.db2.gz HNUSJQZSZAYGMO-UHFFFAOYSA-N 1 2 357.376 3.310 20 70 FGIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C)Cc3cccc(F)c3)c2c1 ZINC000160458770 495967492 /nfs/dbraw/zinc/96/74/92/495967492.db2.gz ZPDVMIVZKQXZLK-UHFFFAOYSA-N 1 2 354.381 3.408 20 70 FGIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+](C)Cc3cccc(F)c3)c2c1 ZINC000160458770 495967496 /nfs/dbraw/zinc/96/74/96/495967496.db2.gz ZPDVMIVZKQXZLK-UHFFFAOYSA-N 1 2 354.381 3.408 20 70 FGIDLO CC(C)COC(=O)Nc1cccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000160464318 495968764 /nfs/dbraw/zinc/96/87/64/495968764.db2.gz QVFGFAFMCHKPSZ-AWEZNQCLSA-N 1 2 356.426 3.289 20 70 FGIDLO O=C(NCc1ccc(Oc2cccnc2)c(F)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160465410 495968944 /nfs/dbraw/zinc/96/89/44/495968944.db2.gz LAFFFQCSJMGFLL-OAHLLOKOSA-N 1 2 366.396 3.088 20 70 FGIDLO CCCCCOc1cc(C[N@H+](CC)[C@H]2CCS(=O)(=O)C2)ccc1OC ZINC000160566765 495993752 /nfs/dbraw/zinc/99/37/52/495993752.db2.gz QKWBQBIYORFVGI-KRWDZBQOSA-N 1 2 369.527 3.273 20 70 FGIDLO CCCCCOc1cc(C[N@@H+](CC)[C@H]2CCS(=O)(=O)C2)ccc1OC ZINC000160566765 495993758 /nfs/dbraw/zinc/99/37/58/495993758.db2.gz QKWBQBIYORFVGI-KRWDZBQOSA-N 1 2 369.527 3.273 20 70 FGIDLO O=C(Nc1ccnc(Sc2ccccn2)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161142170 496112098 /nfs/dbraw/zinc/11/20/98/496112098.db2.gz XURFWMKVQODBJQ-CYBMUJFWSA-N 1 2 351.435 3.025 20 70 FGIDLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161222469 496131278 /nfs/dbraw/zinc/13/12/78/496131278.db2.gz BUENBDWUKKWZEM-MRXNPFEDSA-N 1 2 372.900 3.188 20 70 FGIDLO CC(C)(C)OC1CC[NH+]([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000161230702 496132519 /nfs/dbraw/zinc/13/25/19/496132519.db2.gz FROTXLHBZWBYAO-HNNXBMFYSA-N 1 2 369.303 3.255 20 70 FGIDLO C[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1c(F)cccc1F ZINC000161267019 496140589 /nfs/dbraw/zinc/14/05/89/496140589.db2.gz MFIYWRQPZPNLMP-NVXWUHKLSA-N 1 2 374.431 3.086 20 70 FGIDLO C[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1c(F)cccc1F ZINC000161267019 496140595 /nfs/dbraw/zinc/14/05/95/496140595.db2.gz MFIYWRQPZPNLMP-NVXWUHKLSA-N 1 2 374.431 3.086 20 70 FGIDLO O[C@@H](C1CC[NH+](Cc2cn(-c3ccc(Cl)cc3)nn2)CC1)C(F)(F)F ZINC000161328161 496152451 /nfs/dbraw/zinc/15/24/51/496152451.db2.gz STHKHPNHXSVCNN-HNNXBMFYSA-N 1 2 374.794 3.056 20 70 FGIDLO CC(C)Oc1cncc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000161334685 496154227 /nfs/dbraw/zinc/15/42/27/496154227.db2.gz VIGBILCHRYEOSH-UHFFFAOYSA-N 1 2 366.421 3.397 20 70 FGIDLO O=C(Nc1cc(F)c(F)cc1F)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000161382320 496165172 /nfs/dbraw/zinc/16/51/72/496165172.db2.gz VWYIGRDVSLTUCT-NSHDSACASA-N 1 2 350.344 3.289 20 70 FGIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Oc2cccnc2)cc1 ZINC000161402166 496170233 /nfs/dbraw/zinc/17/02/33/496170233.db2.gz DVBYTZOYWSTYQI-KRWDZBQOSA-N 1 2 360.417 3.278 20 70 FGIDLO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000159419836 495729232 /nfs/dbraw/zinc/72/92/32/495729232.db2.gz WVGBZZLQMNLKJQ-BBRMVZONSA-N 1 2 360.527 3.487 20 70 FGIDLO COc1cc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)ccc1SC ZINC000159457672 495737079 /nfs/dbraw/zinc/73/70/79/495737079.db2.gz JTUZVYZQTYOSPS-HOTGVXAUSA-N 1 2 363.479 3.335 20 70 FGIDLO COc1cc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)ccc1SC ZINC000159457672 495737082 /nfs/dbraw/zinc/73/70/82/495737082.db2.gz JTUZVYZQTYOSPS-HOTGVXAUSA-N 1 2 363.479 3.335 20 70 FGIDLO Cc1ccccc1NC(=O)CN1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000159487418 495742756 /nfs/dbraw/zinc/74/27/56/495742756.db2.gz FRQGUFOBPHQCNH-QGZVFWFLSA-N 1 2 355.457 3.451 20 70 FGIDLO CC[C@H](C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1c(C)noc1C ZINC000159592139 495765103 /nfs/dbraw/zinc/76/51/03/495765103.db2.gz OZLLOPAUDBSBDH-SFHVURJKSA-N 1 2 352.438 3.346 20 70 FGIDLO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[C@H]1CCCCO1 ZINC000159649129 495778642 /nfs/dbraw/zinc/77/86/42/495778642.db2.gz ABZFIANXWFXVCC-MRXNPFEDSA-N 1 2 357.479 3.209 20 70 FGIDLO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[C@H]1CCCCO1 ZINC000159649129 495778645 /nfs/dbraw/zinc/77/86/45/495778645.db2.gz ABZFIANXWFXVCC-MRXNPFEDSA-N 1 2 357.479 3.209 20 70 FGIDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1csc([C@@H]2CCCO2)n1 ZINC000159668716 495784019 /nfs/dbraw/zinc/78/40/19/495784019.db2.gz KWNREFOKEHYLRF-KRWDZBQOSA-N 1 2 373.478 3.079 20 70 FGIDLO C[C@@H]1CCCN(c2nnc(SCCn3cc[nH+]c3)n2Cc2ccco2)C1 ZINC000159756095 495802410 /nfs/dbraw/zinc/80/24/10/495802410.db2.gz JCTFKSMFLQTTFK-OAHLLOKOSA-N 1 2 372.498 3.145 20 70 FGIDLO O=C(CSCC[NH+]1CCOCC1)N(Cc1ccccc1)c1ccccc1 ZINC000159829749 495819509 /nfs/dbraw/zinc/81/95/09/495819509.db2.gz ZKONGNFDVPGIPW-UHFFFAOYSA-N 1 2 370.518 3.285 20 70 FGIDLO CCCn1nc(C)c(C[N@H+](CC)Cc2nc3ccccc3c(=O)[nH]2)c1C ZINC000159879389 495831657 /nfs/dbraw/zinc/83/16/57/495831657.db2.gz BTHTVCNKNAULAV-UHFFFAOYSA-N 1 2 353.470 3.169 20 70 FGIDLO CCCn1nc(C)c(C[N@@H+](CC)Cc2nc3ccccc3c(=O)[nH]2)c1C ZINC000159879389 495831659 /nfs/dbraw/zinc/83/16/59/495831659.db2.gz BTHTVCNKNAULAV-UHFFFAOYSA-N 1 2 353.470 3.169 20 70 FGIDLO COC(=O)c1sccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159983740 495855607 /nfs/dbraw/zinc/85/56/07/495855607.db2.gz SYFDPLHNMIIQRU-OAHLLOKOSA-N 1 2 359.451 3.014 20 70 FGIDLO COC(=O)c1sccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159983740 495855614 /nfs/dbraw/zinc/85/56/14/495855614.db2.gz SYFDPLHNMIIQRU-OAHLLOKOSA-N 1 2 359.451 3.014 20 70 FGIDLO COC(=O)[C@@H](SCC[NH+]1CCOCC1)c1ccc(Cl)cc1Cl ZINC000160035875 495868458 /nfs/dbraw/zinc/86/84/58/495868458.db2.gz UMQJVATVVNAFQZ-AWEZNQCLSA-N 1 2 364.294 3.273 20 70 FGIDLO Cc1ccc(C(C)(C)CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000160049067 495872231 /nfs/dbraw/zinc/87/22/31/495872231.db2.gz OPEWYHRSWNPVJE-UHFFFAOYSA-N 1 2 366.509 3.195 20 70 FGIDLO COc1ccc([C@H](NC(=O)N2CC[C@@H](C)[C@@H](C)C2)c2[nH+]ccn2C)cc1 ZINC000160053827 495873726 /nfs/dbraw/zinc/87/37/26/495873726.db2.gz OOHSNUNMSNWEQB-VKJFTORMSA-N 1 2 356.470 3.206 20 70 FGIDLO COCCC1(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CCCC1 ZINC000160146782 495895317 /nfs/dbraw/zinc/89/53/17/495895317.db2.gz BVZGGBNGDNUCJG-UHFFFAOYSA-N 1 2 374.529 3.154 20 70 FGIDLO Cc1ccc2[nH+]c(CSCC(=O)N(C)c3ccc4c(c3)OCO4)cn2c1 ZINC000160217337 495911260 /nfs/dbraw/zinc/91/12/60/495911260.db2.gz RIAPXXLCVVOMGY-UHFFFAOYSA-N 1 2 369.446 3.268 20 70 FGIDLO O=C(Nc1ccccc1N1CCCC1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160218984 495911948 /nfs/dbraw/zinc/91/19/48/495911948.db2.gz MOEOLGBZOXDHAG-MRXNPFEDSA-N 1 2 351.454 3.082 20 70 FGIDLO Cc1cccc([C@H](C)NC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1C ZINC000160249250 495917188 /nfs/dbraw/zinc/91/71/88/495917188.db2.gz NSYOBVZRULYUNR-SFHVURJKSA-N 1 2 352.482 3.287 20 70 FGIDLO COc1ccccc1[C@H](NC(=O)/C=C/c1cncc(C)c1)c1[nH+]ccn1C ZINC000160320964 495935633 /nfs/dbraw/zinc/93/56/33/495935633.db2.gz GZSQVMOYIWDJJE-IBDYFIJFSA-N 1 2 362.433 3.051 20 70 FGIDLO COc1ccc(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)c(OC)c1OC ZINC000160378021 495949439 /nfs/dbraw/zinc/94/94/39/495949439.db2.gz KJSFFCMMSUUNCM-VWLOTQADSA-N 1 2 363.479 3.082 20 70 FGIDLO COc1ccc(C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)c(OC)c1OC ZINC000160378021 495949444 /nfs/dbraw/zinc/94/94/44/495949444.db2.gz KJSFFCMMSUUNCM-VWLOTQADSA-N 1 2 363.479 3.082 20 70 FGIDLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)n(C(C)(C)C)n1 ZINC000160392480 495951977 /nfs/dbraw/zinc/95/19/77/495951977.db2.gz FFOHNZDCRCCGAA-QGZVFWFLSA-N 1 2 355.486 3.426 20 70 FGIDLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(C)n2)n(C(C)(C)C)n1 ZINC000160392480 495951982 /nfs/dbraw/zinc/95/19/82/495951982.db2.gz FFOHNZDCRCCGAA-QGZVFWFLSA-N 1 2 355.486 3.426 20 70 FGIDLO Cn1ccc(C[NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 ZINC000160436424 495963130 /nfs/dbraw/zinc/96/31/30/495963130.db2.gz MUNPUYDAWOVEBX-UHFFFAOYSA-N 1 2 358.795 3.415 20 70 FGIDLO O=C(Nc1cccc(OC(F)(F)F)c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160530844 495984888 /nfs/dbraw/zinc/98/48/88/495984888.db2.gz VUOVCOYURGWFIZ-ZDUSSCGKSA-N 1 2 366.343 3.381 20 70 FGIDLO CCCCCOc1cc(C[N@H+](CC)[C@@H]2CCS(=O)(=O)C2)ccc1OC ZINC000160566620 495993170 /nfs/dbraw/zinc/99/31/70/495993170.db2.gz QKWBQBIYORFVGI-QGZVFWFLSA-N 1 2 369.527 3.273 20 70 FGIDLO CCCCCOc1cc(C[N@@H+](CC)[C@@H]2CCS(=O)(=O)C2)ccc1OC ZINC000160566620 495993172 /nfs/dbraw/zinc/99/31/72/495993172.db2.gz QKWBQBIYORFVGI-QGZVFWFLSA-N 1 2 369.527 3.273 20 70 FGIDLO CC(C)C(=O)Nc1cccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000160574805 495994446 /nfs/dbraw/zinc/99/44/46/495994446.db2.gz NCQAPVWOWWFPPS-QGZVFWFLSA-N 1 2 367.453 3.077 20 70 FGIDLO CC(C)S(=O)(=O)CCCN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000160570897 495994763 /nfs/dbraw/zinc/99/47/63/495994763.db2.gz UPJFHLYTEJIHSB-UHFFFAOYSA-N 1 2 374.550 3.171 20 70 FGIDLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2noc(-c3ccsc3)n2)CC1 ZINC000160669138 496015948 /nfs/dbraw/zinc/01/59/48/496015948.db2.gz YKDCCQWNQPRKBD-UHFFFAOYSA-N 1 2 364.471 3.287 20 70 FGIDLO O=C(Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1)C1(O)CCSCC1 ZINC000160684326 496020066 /nfs/dbraw/zinc/02/00/66/496020066.db2.gz WCZKCRHPJBEHCK-UHFFFAOYSA-N 1 2 357.479 3.083 20 70 FGIDLO CCCC[N@H+](Cc1cccc(OC)c1OC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000160783474 496041437 /nfs/dbraw/zinc/04/14/37/496041437.db2.gz SPRDRTSLLOQPQZ-KRWDZBQOSA-N 1 2 369.527 3.272 20 70 FGIDLO CCCC[N@@H+](Cc1cccc(OC)c1OC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000160783474 496041439 /nfs/dbraw/zinc/04/14/39/496041439.db2.gz SPRDRTSLLOQPQZ-KRWDZBQOSA-N 1 2 369.527 3.272 20 70 FGIDLO COc1ccc(C)cc1C1(C[NH2+][C@H](C)C(=O)OC(C)(C)C)CCOCC1 ZINC000160818366 496048696 /nfs/dbraw/zinc/04/86/96/496048696.db2.gz FPRVPZSSJAMGRC-MRXNPFEDSA-N 1 2 363.498 3.372 20 70 FGIDLO COC(=O)c1csc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000160845575 496053412 /nfs/dbraw/zinc/05/34/12/496053412.db2.gz UJANMIGHCQWXCT-UHFFFAOYSA-N 1 2 370.434 3.101 20 70 FGIDLO CCC[N@H+](Cc1ccccc1OC1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000161078252 496098580 /nfs/dbraw/zinc/09/85/80/496098580.db2.gz FFVIIVSHPKBFKM-QGZVFWFLSA-N 1 2 351.512 3.407 20 70 FGIDLO CCC[N@@H+](Cc1ccccc1OC1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000161078252 496098583 /nfs/dbraw/zinc/09/85/83/496098583.db2.gz FFVIIVSHPKBFKM-QGZVFWFLSA-N 1 2 351.512 3.407 20 70 FGIDLO CC(C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccnn1C ZINC000161353567 496157853 /nfs/dbraw/zinc/15/78/53/496157853.db2.gz GLDOQZLUCCTRIV-UHFFFAOYSA-N 1 2 354.376 3.288 20 70 FGIDLO CC(C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccnn1C ZINC000161353567 496157861 /nfs/dbraw/zinc/15/78/61/496157861.db2.gz GLDOQZLUCCTRIV-UHFFFAOYSA-N 1 2 354.376 3.288 20 70 FGIDLO O=C(Nc1nnc(-c2ccccc2Cl)s1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161369348 496160790 /nfs/dbraw/zinc/16/07/90/496160790.db2.gz USYHYFQAJFZAKX-SNVBAGLBSA-N 1 2 359.842 3.256 20 70 FGIDLO CC(C)CSCCCNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000161435496 496175305 /nfs/dbraw/zinc/17/53/05/496175305.db2.gz WXSSTSIWRTUNDH-UHFFFAOYSA-N 1 2 365.543 3.420 20 70 FGIDLO COc1ccc2cccc(CC(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)c2c1 ZINC000161475526 496182738 /nfs/dbraw/zinc/18/27/38/496182738.db2.gz XZIWJHONPHRWMJ-SFHVURJKSA-N 1 2 361.445 3.181 20 70 FGIDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CCOCC1 ZINC000159375876 495719225 /nfs/dbraw/zinc/71/92/25/495719225.db2.gz MWRISPUSROKRPQ-HNNXBMFYSA-N 1 2 350.890 3.047 20 70 FGIDLO Cc1cccc([C@H]2CCC[N@@H+]2CCOc2ccc(S(C)(=O)=O)cc2)n1 ZINC000159702893 495790784 /nfs/dbraw/zinc/79/07/84/495790784.db2.gz QGNATHBKPHSKFN-LJQANCHMSA-N 1 2 360.479 3.009 20 70 FGIDLO Cc1cccc([C@H]2CCC[N@H+]2CCOc2ccc(S(C)(=O)=O)cc2)n1 ZINC000159702893 495790788 /nfs/dbraw/zinc/79/07/88/495790788.db2.gz QGNATHBKPHSKFN-LJQANCHMSA-N 1 2 360.479 3.009 20 70 FGIDLO CC(C)C[C@@H](CCO)CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000159786025 495808485 /nfs/dbraw/zinc/80/84/85/495808485.db2.gz VDXQXYKHUXIBFA-DLBZAZTESA-N 1 2 367.559 3.181 20 70 FGIDLO C[C@H](C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1)C1CCOCC1 ZINC000159831016 495819164 /nfs/dbraw/zinc/81/91/64/495819164.db2.gz XOVJUJAYAYFXAZ-HNNXBMFYSA-N 1 2 350.890 3.047 20 70 FGIDLO CC[C@H](C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1c(C)noc1C ZINC000159948438 495847729 /nfs/dbraw/zinc/84/77/29/495847729.db2.gz YFBLVGVBKARDIC-SFHVURJKSA-N 1 2 352.438 3.346 20 70 FGIDLO CCCCn1ncc(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1C ZINC000159953570 495849280 /nfs/dbraw/zinc/84/92/80/495849280.db2.gz AMRDSRKWKKMCQJ-MRXNPFEDSA-N 1 2 370.501 3.297 20 70 FGIDLO c1sc(-c2ccc3c(c2)OCO3)nc1CSCC[NH+]1CCOCC1 ZINC000160031512 495867184 /nfs/dbraw/zinc/86/71/84/495867184.db2.gz KEIRZOZPAFIMKI-UHFFFAOYSA-N 1 2 364.492 3.104 20 70 FGIDLO CCOC(=O)NCCCC(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000160055528 495873345 /nfs/dbraw/zinc/87/33/45/495873345.db2.gz UFHGOWFLAVDYLF-UHFFFAOYSA-N 1 2 370.453 3.351 20 70 FGIDLO C[C@H](COc1ccccc1)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000160207010 495909020 /nfs/dbraw/zinc/90/90/20/495909020.db2.gz JRFXMASEVIKYOH-DNVCBOLYSA-N 1 2 367.424 3.480 20 70 FGIDLO Cc1ccc([C@@H](C)CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000160333471 495937321 /nfs/dbraw/zinc/93/73/21/495937321.db2.gz FPFCBHJDBIVXSO-SFHVURJKSA-N 1 2 352.482 3.021 20 70 FGIDLO CC[C@@H](C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1c(C)noc1C ZINC000160513934 495980189 /nfs/dbraw/zinc/98/01/89/495980189.db2.gz YEJLWJASKKDBLG-QGZVFWFLSA-N 1 2 356.470 3.487 20 70 FGIDLO CN(C)c1ccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c(F)c1 ZINC000160646958 496011551 /nfs/dbraw/zinc/01/15/51/496011551.db2.gz FJSDPHQJCHPTEP-UHFFFAOYSA-N 1 2 368.412 3.420 20 70 FGIDLO CCN(CC)C(=O)C1([NH2+]Cc2noc(-c3ccsc3)n2)CCCCC1 ZINC000160888021 496061144 /nfs/dbraw/zinc/06/11/44/496061144.db2.gz QSASBKKTAHEKLI-UHFFFAOYSA-N 1 2 362.499 3.459 20 70 FGIDLO C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160935849 496069732 /nfs/dbraw/zinc/06/97/32/496069732.db2.gz RTHYIFQSZGLJHF-INIZCTEOSA-N 1 2 357.885 3.258 20 70 FGIDLO CCCCOCCOCc1cccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000160967420 496076925 /nfs/dbraw/zinc/07/69/25/496076925.db2.gz ZRTFTEOUAGKJRQ-SFHVURJKSA-N 1 2 371.481 3.418 20 70 FGIDLO CCc1cc(=O)[nH]c(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000160975653 496077444 /nfs/dbraw/zinc/07/74/44/496077444.db2.gz LAMMOUGOQAVIHY-UHFFFAOYSA-N 1 2 359.857 3.493 20 70 FGIDLO CCC[N@H+](Cc1ccc(-c2ccncc2)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000161077540 496099121 /nfs/dbraw/zinc/09/91/21/496099121.db2.gz XFXQGXHCLCJRLH-SFHVURJKSA-N 1 2 362.470 3.287 20 70 FGIDLO CCC[N@@H+](Cc1ccc(-c2ccncc2)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000161077540 496099126 /nfs/dbraw/zinc/09/91/26/496099126.db2.gz XFXQGXHCLCJRLH-SFHVURJKSA-N 1 2 362.470 3.287 20 70 FGIDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)[C@@H]2CCSC2)C[C@@H](C)O1 ZINC000161260201 496139110 /nfs/dbraw/zinc/13/91/10/496139110.db2.gz GIHBBUYPXRDJLO-BFYDXBDKSA-N 1 2 363.527 3.265 20 70 FGIDLO Cc1sc(NC(=O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c(C)c1C ZINC000161322668 496152434 /nfs/dbraw/zinc/15/24/34/496152434.db2.gz OSCPWGWSLNADOR-CQSZACIVSA-N 1 2 364.433 3.247 20 70 FGIDLO Cc1nc2cc(F)ccc2cc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161377328 496163758 /nfs/dbraw/zinc/16/37/58/496163758.db2.gz WNOZQLAUUTVFKI-MRXNPFEDSA-N 1 2 350.397 3.086 20 70 FGIDLO C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1nc(-c2ccccc2)cs1 ZINC000161482717 496184276 /nfs/dbraw/zinc/18/42/76/496184276.db2.gz PBMJBTHYITZNPO-DZGCQCFKSA-N 1 2 352.463 3.446 20 70 FGIDLO O=C(Nc1nc(Sc2ccccc2)ns1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161487572 496185549 /nfs/dbraw/zinc/18/55/49/496185549.db2.gz FGRPDHZJBKUQQD-NSHDSACASA-N 1 2 357.464 3.087 20 70 FGIDLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cccc(OCC(F)(F)F)n1 ZINC000159581096 495762986 /nfs/dbraw/zinc/76/29/86/495762986.db2.gz DFUBFEUXKITNGR-UHFFFAOYSA-N 1 2 362.311 3.461 20 70 FGIDLO CCOC(=O)CCc1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000159630671 495773853 /nfs/dbraw/zinc/77/38/53/495773853.db2.gz MBTDOZLLXAGQCI-UHFFFAOYSA-N 1 2 370.453 3.248 20 70 FGIDLO COc1ccc(C(F)(F)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000159694195 495790009 /nfs/dbraw/zinc/79/00/09/495790009.db2.gz SVLAZBGNLDASRQ-CQSZACIVSA-N 1 2 363.408 3.002 20 70 FGIDLO CC(C)(C)N(Cc1cccc(F)c1)C(=O)CSCC[NH+]1CCOCC1 ZINC000159857841 495825500 /nfs/dbraw/zinc/82/55/00/495825500.db2.gz XLPLSPGCQWWWNP-UHFFFAOYSA-N 1 2 368.518 3.018 20 70 FGIDLO CC[N@@H+](Cc1cccc2c1OCCCO2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159878046 495830673 /nfs/dbraw/zinc/83/06/73/495830673.db2.gz ZXZOIPPQNYLHKM-UHFFFAOYSA-N 1 2 365.433 3.107 20 70 FGIDLO CC[N@H+](Cc1cccc2c1OCCCO2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159878046 495830679 /nfs/dbraw/zinc/83/06/79/495830679.db2.gz ZXZOIPPQNYLHKM-UHFFFAOYSA-N 1 2 365.433 3.107 20 70 FGIDLO Cc1ccsc1CCCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000159947843 495848250 /nfs/dbraw/zinc/84/82/50/495848250.db2.gz VECOZIWSDQOMIL-IBGZPJMESA-N 1 2 372.534 3.396 20 70 FGIDLO Cc1ccsc1CCCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000159947843 495848253 /nfs/dbraw/zinc/84/82/53/495848253.db2.gz VECOZIWSDQOMIL-IBGZPJMESA-N 1 2 372.534 3.396 20 70 FGIDLO FC(F)(F)c1cccc(-c2noc(CSCC[NH+]3CCOCC3)n2)c1 ZINC000160054104 495873297 /nfs/dbraw/zinc/87/32/97/495873297.db2.gz CJJPZQWWYXERTE-UHFFFAOYSA-N 1 2 373.400 3.321 20 70 FGIDLO CC[N@H+](Cc1ccsc1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000160229315 495913792 /nfs/dbraw/zinc/91/37/92/495913792.db2.gz RECFCTQUDPZQQW-UHFFFAOYSA-N 1 2 359.451 3.024 20 70 FGIDLO CC[N@@H+](Cc1ccsc1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000160229315 495913799 /nfs/dbraw/zinc/91/37/99/495913799.db2.gz RECFCTQUDPZQQW-UHFFFAOYSA-N 1 2 359.451 3.024 20 70 FGIDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000160307574 495931696 /nfs/dbraw/zinc/93/16/96/495931696.db2.gz IHEUFTNQLJIOPS-RBUKOAKNSA-N 1 2 368.481 3.030 20 70 FGIDLO O=C(NCCOCc1ccc(Cl)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000160541522 495988187 /nfs/dbraw/zinc/98/81/87/495988187.db2.gz OVUMMCDDMCWLDU-UHFFFAOYSA-N 1 2 362.861 3.100 20 70 FGIDLO CCN(CC)c1ccc(CNC(=O)Nc2ccn(CCC(C)C)n2)c[nH+]1 ZINC000160609792 496002674 /nfs/dbraw/zinc/00/26/74/496002674.db2.gz NLBZXAOBFWTOGH-UHFFFAOYSA-N 1 2 358.490 3.492 20 70 FGIDLO CCOc1ccc(S(=O)(=O)Nc2cc[nH+]c(C)c2)cc1Br ZINC000160630869 496007147 /nfs/dbraw/zinc/00/71/47/496007147.db2.gz JQVCYLSCKTZMFD-UHFFFAOYSA-N 1 2 371.256 3.352 20 70 FGIDLO C[N@@H+]1CC[C@H](NC(=O)NCCc2cccs2)[C@@H]1c1ccc(F)c(F)c1 ZINC000160703599 496024562 /nfs/dbraw/zinc/02/45/62/496024562.db2.gz VKHLCAGYILSNRA-IRXDYDNUSA-N 1 2 365.449 3.313 20 70 FGIDLO C[N@H+]1CC[C@H](NC(=O)NCCc2cccs2)[C@@H]1c1ccc(F)c(F)c1 ZINC000160703599 496024567 /nfs/dbraw/zinc/02/45/67/496024567.db2.gz VKHLCAGYILSNRA-IRXDYDNUSA-N 1 2 365.449 3.313 20 70 FGIDLO Cc1cccc(O[C@@H]2CCCC[C@H]2NC(=O)NCCCn2cc[nH+]c2)c1 ZINC000161107732 496104629 /nfs/dbraw/zinc/10/46/29/496104629.db2.gz VFCDMAUGDYAFEJ-RTBURBONSA-N 1 2 356.470 3.271 20 70 FGIDLO O=C(Nc1ccnn1[C@@H]1CCCc2ccccc21)[C@H]1CCn2cc[nH+]c2C1 ZINC000161217065 496129647 /nfs/dbraw/zinc/12/96/47/496129647.db2.gz HMEXHFMCQJNYOG-FUHWJXTLSA-N 1 2 361.449 3.206 20 70 FGIDLO CCc1ccc([C@H](C)NC(=O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1 ZINC000161243624 496136026 /nfs/dbraw/zinc/13/60/26/496136026.db2.gz GMDDIQSGKULKCY-UGSOOPFHSA-N 1 2 372.431 3.061 20 70 FGIDLO C[C@@H]1CCO[C@@H]1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000161335558 496154853 /nfs/dbraw/zinc/15/48/53/496154853.db2.gz XKYYRTHVSAFKRW-DYVFJYSZSA-N 1 2 357.479 3.065 20 70 FGIDLO C[C@@H]1CCO[C@@H]1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000161335558 496154863 /nfs/dbraw/zinc/15/48/63/496154863.db2.gz XKYYRTHVSAFKRW-DYVFJYSZSA-N 1 2 357.479 3.065 20 70 FGIDLO O=C(c1ccc2nccnc2c1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161385370 496164754 /nfs/dbraw/zinc/16/47/54/496164754.db2.gz JCLMZCBEDQWMLW-UHFFFAOYSA-N 1 2 366.852 3.241 20 70 FGIDLO COc1ccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1OC1CCCC1 ZINC000161388778 496165838 /nfs/dbraw/zinc/16/58/38/496165838.db2.gz CLRJNNCRSBIYTR-INIZCTEOSA-N 1 2 369.465 3.092 20 70 FGIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cccc(Oc2ccncc2)c1 ZINC000161434177 496176259 /nfs/dbraw/zinc/17/62/59/496176259.db2.gz HRKOSZKGNFPKPQ-KRWDZBQOSA-N 1 2 360.417 3.278 20 70 FGIDLO COc1ccc2oc([C@H](C)NC(=O)[C@@H]3CCn4cc[nH+]c4C3)c(C)c2c1 ZINC000161463685 496181654 /nfs/dbraw/zinc/18/16/54/496181654.db2.gz RTADMWKAKLAIMB-UONOGXRCSA-N 1 2 353.422 3.386 20 70 FGIDLO CC[C@H](c1nnc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)s1)c1ccccc1 ZINC000161478725 496184289 /nfs/dbraw/zinc/18/42/89/496184289.db2.gz PRRBWVUMMWQEQQ-GJZGRUSLSA-N 1 2 367.478 3.478 20 70 FGIDLO Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159387638 495721699 /nfs/dbraw/zinc/72/16/99/495721699.db2.gz QAWHSTBEXGSQPC-HSZRJFAPSA-N 1 2 364.489 3.127 20 70 FGIDLO Cc1ccccc1CN(C)C(=O)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159387638 495721706 /nfs/dbraw/zinc/72/17/06/495721706.db2.gz QAWHSTBEXGSQPC-HSZRJFAPSA-N 1 2 364.489 3.127 20 70 FGIDLO Cc1cccn2cc(CNC(=O)Cc3csc(-c4ccoc4)n3)[nH+]c12 ZINC000159473554 495740567 /nfs/dbraw/zinc/74/05/67/495740567.db2.gz WCYGSAFBRZUGAC-UHFFFAOYSA-N 1 2 352.419 3.218 20 70 FGIDLO COc1ccc([C@H](NC(=O)N2CCC3(CCC3)C2)c2[nH+]ccn2C)cc1 ZINC000159534239 495754045 /nfs/dbraw/zinc/75/40/45/495754045.db2.gz MMJRCCARJGBPSC-KRWDZBQOSA-N 1 2 354.454 3.104 20 70 FGIDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2cccc(N(C)C)c2)CC1 ZINC000159601934 495767997 /nfs/dbraw/zinc/76/79/97/495767997.db2.gz HJDNLYXZAOMVNO-INIZCTEOSA-N 1 2 372.538 3.403 20 70 FGIDLO CCCCn1ncc(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1C ZINC000159625460 495774090 /nfs/dbraw/zinc/77/40/90/495774090.db2.gz VMOBWEUGNSAXPE-UHFFFAOYSA-N 1 2 356.474 3.309 20 70 FGIDLO CC(C)OCC[NH+]1CCN(C(=O)c2occc2-c2ccc(F)cc2)CC1 ZINC000159686916 495787115 /nfs/dbraw/zinc/78/71/15/495787115.db2.gz ZEBNBOUEMXOICC-UHFFFAOYSA-N 1 2 360.429 3.269 20 70 FGIDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1nnc(C(F)(F)F)s1 ZINC000159721883 495795467 /nfs/dbraw/zinc/79/54/67/495795467.db2.gz NLKQWCUCMGGDNC-UHFFFAOYSA-N 1 2 353.373 3.438 20 70 FGIDLO CCOC(=O)c1ccc(N(C)Cc2[nH+]ccn2Cc2ccccc2)nc1 ZINC000159727901 495796511 /nfs/dbraw/zinc/79/65/11/495796511.db2.gz ZAZYRYFUVRVNFH-UHFFFAOYSA-N 1 2 350.422 3.140 20 70 FGIDLO Cc1cccc(NC(=O)[C@H](SCC[NH+]2CCOCC2)C(C)C)c1C ZINC000159915117 495839830 /nfs/dbraw/zinc/83/98/30/495839830.db2.gz CEAJVVSHCIHGNV-GOSISDBHSA-N 1 2 350.528 3.332 20 70 FGIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000159964782 495852544 /nfs/dbraw/zinc/85/25/44/495852544.db2.gz YZXKCTHGVCVPMI-NSHDSACASA-N 1 2 363.310 3.386 20 70 FGIDLO O=C(Nc1ccccc1N1CCCCC1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159970626 495852941 /nfs/dbraw/zinc/85/29/41/495852941.db2.gz VOPTVSPFKQXKEJ-QGZVFWFLSA-N 1 2 365.481 3.472 20 70 FGIDLO O=C(CSCC[NH+]1CCOCC1)Nc1ccc(SC(F)F)cc1 ZINC000160011336 495863746 /nfs/dbraw/zinc/86/37/46/495863746.db2.gz YFAKXTPIRVVYQO-UHFFFAOYSA-N 1 2 362.467 3.005 20 70 FGIDLO CCC(CC)[C@@H](C(=O)N[C@H]1CCOC2(CCCCC2)C1)[NH+]1CCOCC1 ZINC000160543685 495987707 /nfs/dbraw/zinc/98/77/07/495987707.db2.gz RSTKWDIXNLNPQQ-OALUTQOASA-N 1 2 366.546 3.122 20 70 FGIDLO CC[N@H+](Cc1ccc(OC)c(OCCC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160566900 495993246 /nfs/dbraw/zinc/99/32/46/495993246.db2.gz UVJUZCSJYYFVKJ-QGZVFWFLSA-N 1 2 369.527 3.129 20 70 FGIDLO CC[N@@H+](Cc1ccc(OC)c(OCCC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160566900 495993250 /nfs/dbraw/zinc/99/32/50/495993250.db2.gz UVJUZCSJYYFVKJ-QGZVFWFLSA-N 1 2 369.527 3.129 20 70 FGIDLO OC[C@H]1CCCN(c2cc(N[C@@H]3CCO[C@@H](c4ccccc4)C3)[nH+]cn2)C1 ZINC000160676254 496016837 /nfs/dbraw/zinc/01/68/37/496016837.db2.gz ODGHJKIDDGYHGQ-QXAKKESOSA-N 1 2 368.481 3.018 20 70 FGIDLO OC[C@H]1CCCN(c2cc(N[C@@H]3CCO[C@@H](c4ccccc4)C3)nc[nH+]2)C1 ZINC000160676254 496016839 /nfs/dbraw/zinc/01/68/39/496016839.db2.gz ODGHJKIDDGYHGQ-QXAKKESOSA-N 1 2 368.481 3.018 20 70 FGIDLO CCCC[N@H+](Cc1cccc2c1OC(C)(C)C2)[C@H]1CCS(=O)(=O)C1 ZINC000160768256 496038776 /nfs/dbraw/zinc/03/87/76/496038776.db2.gz MMFNEIMZYFDZSR-KRWDZBQOSA-N 1 2 351.512 3.189 20 70 FGIDLO CCCC[N@@H+](Cc1cccc2c1OC(C)(C)C2)[C@H]1CCS(=O)(=O)C1 ZINC000160768256 496038782 /nfs/dbraw/zinc/03/87/82/496038782.db2.gz MMFNEIMZYFDZSR-KRWDZBQOSA-N 1 2 351.512 3.189 20 70 FGIDLO CCCC[N@H+](Cc1c(F)cccc1N1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000160792030 496043302 /nfs/dbraw/zinc/04/33/02/496043302.db2.gz MJCKCVUGYVVCHG-MRXNPFEDSA-N 1 2 368.518 3.215 20 70 FGIDLO CCCC[N@@H+](Cc1c(F)cccc1N1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000160792030 496043305 /nfs/dbraw/zinc/04/33/05/496043305.db2.gz MJCKCVUGYVVCHG-MRXNPFEDSA-N 1 2 368.518 3.215 20 70 FGIDLO O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000160807204 496046913 /nfs/dbraw/zinc/04/69/13/496046913.db2.gz MJVSJCNKNTZYJB-IEBWSBKVSA-N 1 2 354.454 3.150 20 70 FGIDLO CCO[C@H]1C[C@H](N(C)C(=O)NCc2ccc(N(CC)CC)[nH+]c2)C12CCC2 ZINC000160956074 496074640 /nfs/dbraw/zinc/07/46/40/496074640.db2.gz GCJPTXXZEDPDHQ-ROUUACIJSA-N 1 2 374.529 3.417 20 70 FGIDLO CN1CC[NH+](Cc2cccc(NC(=O)CCc3ccc(F)cc3F)c2)CC1 ZINC000161041689 496090900 /nfs/dbraw/zinc/09/09/00/496090900.db2.gz CJCNOOCGSFHGKQ-UHFFFAOYSA-N 1 2 373.447 3.284 20 70 FGIDLO CCC[N@H+](Cc1ccc(F)cc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000161121511 496108718 /nfs/dbraw/zinc/10/87/18/496108718.db2.gz BANYUJRQSYTIAS-CYBMUJFWSA-N 1 2 353.381 3.244 20 70 FGIDLO CCC[N@@H+](Cc1ccc(F)cc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000161121511 496108721 /nfs/dbraw/zinc/10/87/21/496108721.db2.gz BANYUJRQSYTIAS-CYBMUJFWSA-N 1 2 353.381 3.244 20 70 FGIDLO CCC[N@H+](Cc1cc(Cl)c(OC)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000161122395 496109003 /nfs/dbraw/zinc/10/90/03/496109003.db2.gz OMFFANRDDHUBFV-LBPRGKRZSA-N 1 2 366.310 3.401 20 70 FGIDLO CCC[N@@H+](Cc1cc(Cl)c(OC)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000161122395 496109005 /nfs/dbraw/zinc/10/90/05/496109005.db2.gz OMFFANRDDHUBFV-LBPRGKRZSA-N 1 2 366.310 3.401 20 70 FGIDLO COc1ccnc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000161137988 496111221 /nfs/dbraw/zinc/11/12/21/496111221.db2.gz TYVDWFMETCECJV-DOTOQJQBSA-N 1 2 352.356 3.417 20 70 FGIDLO COc1ccnc(C[N@H+]2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000161137988 496111228 /nfs/dbraw/zinc/11/12/28/496111228.db2.gz TYVDWFMETCECJV-DOTOQJQBSA-N 1 2 352.356 3.417 20 70 FGIDLO COc1cc[nH+]c(CN2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000161137988 496111234 /nfs/dbraw/zinc/11/12/34/496111234.db2.gz TYVDWFMETCECJV-DOTOQJQBSA-N 1 2 352.356 3.417 20 70 FGIDLO Cc1cc(N[C@H](Cc2ccccc2)C(=O)NC2CC2)nc(-c2ccncc2)[nH+]1 ZINC000161321790 496151073 /nfs/dbraw/zinc/15/10/73/496151073.db2.gz KFKKHLLTGRFOBD-LJQANCHMSA-N 1 2 373.460 3.149 20 70 FGIDLO COc1ccc2oc([C@@H](C)NC(=O)[C@@H]3CCn4cc[nH+]c4C3)c(C)c2c1 ZINC000161463559 496181590 /nfs/dbraw/zinc/18/15/90/496181590.db2.gz RTADMWKAKLAIMB-ZIAGYGMSSA-N 1 2 353.422 3.386 20 70 FGIDLO Cc1cccc(C[NH+]2CCN(C(=O)c3csc([C@H]4CCCO4)n3)CC2)c1 ZINC000159496426 495744588 /nfs/dbraw/zinc/74/45/88/495744588.db2.gz PGSUEUPSEBTWCA-GOSISDBHSA-N 1 2 371.506 3.261 20 70 FGIDLO COC(=O)c1ccc(N(C)Cc2[nH+]ccn2Cc2ccccc2)nc1C ZINC000159708758 495791742 /nfs/dbraw/zinc/79/17/42/495791742.db2.gz MJGGCOCMPHTOOZ-UHFFFAOYSA-N 1 2 350.422 3.058 20 70 FGIDLO O=C(Nc1nc(-c2c(F)cccc2F)cs1)[C@H]1CCn2cc[nH+]c2C1 ZINC000159802906 495811826 /nfs/dbraw/zinc/81/18/26/495811826.db2.gz MYALDGMIFCQFRM-JTQLQIEISA-N 1 2 360.389 3.486 20 70 FGIDLO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000159823717 495817950 /nfs/dbraw/zinc/81/79/50/495817950.db2.gz BWQKNPNWLIWYTK-AWEZNQCLSA-N 1 2 351.454 3.081 20 70 FGIDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)CCCc1nc(C2CC2)no1 ZINC000159826891 495818230 /nfs/dbraw/zinc/81/82/30/495818230.db2.gz WKLCDKPNDSQEGG-UHFFFAOYSA-N 1 2 367.453 3.134 20 70 FGIDLO NC(=O)[C@@H]([NH2+]Cc1ccc(Oc2cccc(F)c2)nc1)c1ccccc1 ZINC000159837888 495821890 /nfs/dbraw/zinc/82/18/90/495821890.db2.gz KBAALJSFRCFVFC-IBGZPJMESA-N 1 2 351.381 3.329 20 70 FGIDLO Cc1c[nH]c(=O)n1-c1ccc([C@@H](C)[NH2+][C@H](C)c2nc(C3CC3)no2)cc1 ZINC000159877424 495829873 /nfs/dbraw/zinc/82/98/73/495829873.db2.gz ILTSTRBEDLKBHP-CHWSQXEVSA-N 1 2 353.426 3.146 20 70 FGIDLO CCCC1(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)CCC1 ZINC000160073726 495878067 /nfs/dbraw/zinc/87/80/67/495878067.db2.gz NNGAPMBEVCBXGO-IRXDYDNUSA-N 1 2 374.529 3.465 20 70 FGIDLO C[C@H]1CN(c2ccc(CNC(=O)NCC3CCC(C)(C)CC3)c[nH+]2)CCO1 ZINC000160167233 495899562 /nfs/dbraw/zinc/89/95/62/495899562.db2.gz VHLKFZSJDUUEOL-INIZCTEOSA-N 1 2 374.529 3.322 20 70 FGIDLO CCOC(=O)c1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160210047 495910858 /nfs/dbraw/zinc/91/08/58/495910858.db2.gz DCPGBQITOVZFDW-MRXNPFEDSA-N 1 2 373.478 3.404 20 70 FGIDLO CCOC(=O)c1ccsc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160210047 495910862 /nfs/dbraw/zinc/91/08/62/495910862.db2.gz DCPGBQITOVZFDW-MRXNPFEDSA-N 1 2 373.478 3.404 20 70 FGIDLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cnn(C(C)(C)C)c1 ZINC000160219499 495911828 /nfs/dbraw/zinc/91/18/28/495911828.db2.gz WMYBCPPQYAAOPT-UHFFFAOYSA-N 1 2 371.485 3.057 20 70 FGIDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cnn(C(C)(C)C)c1 ZINC000160219499 495911832 /nfs/dbraw/zinc/91/18/32/495911832.db2.gz WMYBCPPQYAAOPT-UHFFFAOYSA-N 1 2 371.485 3.057 20 70 FGIDLO CCN(CC(=O)Nc1c(F)cccc1F)Cc1c[nH+]c2cc(C)ccn12 ZINC000160245832 495917330 /nfs/dbraw/zinc/91/73/30/495917330.db2.gz RYOKRVFFSRAJEF-UHFFFAOYSA-N 1 2 358.392 3.382 20 70 FGIDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1cnc2cc(C)ccn12 ZINC000160245832 495917333 /nfs/dbraw/zinc/91/73/33/495917333.db2.gz RYOKRVFFSRAJEF-UHFFFAOYSA-N 1 2 358.392 3.382 20 70 FGIDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1cnc2cc(C)ccn12 ZINC000160245832 495917337 /nfs/dbraw/zinc/91/73/37/495917337.db2.gz RYOKRVFFSRAJEF-UHFFFAOYSA-N 1 2 358.392 3.382 20 70 FGIDLO C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000160266213 495922511 /nfs/dbraw/zinc/92/25/11/495922511.db2.gz PLIXYUGXPLQOKH-MRXNPFEDSA-N 1 2 357.885 3.258 20 70 FGIDLO COc1ccccc1[C@@H](NC(=O)/C=C/c1cncc(C)c1)c1[nH+]ccn1C ZINC000160321072 495935000 /nfs/dbraw/zinc/93/50/00/495935000.db2.gz GZSQVMOYIWDJJE-NDDJGDGRSA-N 1 2 362.433 3.051 20 70 FGIDLO O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160611647 496003990 /nfs/dbraw/zinc/00/39/90/496003990.db2.gz DJERHSFZPPOPGG-VIFPVBQESA-N 1 2 350.300 3.244 20 70 FGIDLO CCCC[N@H+](Cc1nc2c(s1)C[C@H](C)CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000160774476 496039900 /nfs/dbraw/zinc/03/99/00/496039900.db2.gz OBNAZBLUJLQHPI-ZIAGYGMSSA-N 1 2 356.557 3.057 20 70 FGIDLO CCCC[N@@H+](Cc1nc2c(s1)C[C@H](C)CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000160774476 496039901 /nfs/dbraw/zinc/03/99/01/496039901.db2.gz OBNAZBLUJLQHPI-ZIAGYGMSSA-N 1 2 356.557 3.057 20 70 FGIDLO CC1(C)C[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)c2ccccc21 ZINC000160838861 496052305 /nfs/dbraw/zinc/05/23/05/496052305.db2.gz XYVVPLSQOLHBOK-HXUWFJFHSA-N 1 2 364.493 3.331 20 70 FGIDLO Cc1cc(C)n2c(C[N@H+](C)CC(=O)Nc3c(C)cccc3C)cnc2n1 ZINC000160926906 496068550 /nfs/dbraw/zinc/06/85/50/496068550.db2.gz ICCRYXBYQDTOTQ-UHFFFAOYSA-N 1 2 351.454 3.033 20 70 FGIDLO Cc1cc(C)n2c(C[N@@H+](C)CC(=O)Nc3c(C)cccc3C)cnc2n1 ZINC000160926906 496068557 /nfs/dbraw/zinc/06/85/57/496068557.db2.gz ICCRYXBYQDTOTQ-UHFFFAOYSA-N 1 2 351.454 3.033 20 70 FGIDLO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1noc(-c2ccsc2)n1)c1ccccc1 ZINC000161113720 496106381 /nfs/dbraw/zinc/10/63/81/496106381.db2.gz JSARJYSFUXQIIJ-MLGOLLRUSA-N 1 2 357.435 3.438 20 70 FGIDLO Cn1cc(Cl)cc1C[N@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000161220986 496130911 /nfs/dbraw/zinc/13/09/11/496130911.db2.gz SNHCGPKBMSTNPD-AWEZNQCLSA-N 1 2 370.678 3.099 20 70 FGIDLO Cn1cc(Cl)cc1C[N@@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000161220986 496130915 /nfs/dbraw/zinc/13/09/15/496130915.db2.gz SNHCGPKBMSTNPD-AWEZNQCLSA-N 1 2 370.678 3.099 20 70 FGIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cnc(-c2ccccc2F)s1 ZINC000161230118 496131957 /nfs/dbraw/zinc/13/19/57/496131957.db2.gz PYADACBAKHPIRE-CYBMUJFWSA-N 1 2 368.437 3.353 20 70 FGIDLO O=C([C@H]1C[C@@H]1c1cccnc1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161353243 496158020 /nfs/dbraw/zinc/15/80/20/496158020.db2.gz DMKIUWXJZXRQGE-MSOLQXFVSA-N 1 2 355.869 3.183 20 70 FGIDLO COc1cc(C)cc(CNC(=O)Nc2ccccc2C[NH+]2CCOCC2)c1 ZINC000161394381 496167218 /nfs/dbraw/zinc/16/72/18/496167218.db2.gz HALWIRQQMKYATK-UHFFFAOYSA-N 1 2 369.465 3.158 20 70 FGIDLO CC(C)N(C(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1)c1ccccc1 ZINC000161492598 496186618 /nfs/dbraw/zinc/18/66/18/496186618.db2.gz PLGUVXORQOLTPY-KRWDZBQOSA-N 1 2 358.404 3.063 20 70 FGIDLO COc1cccc(C2(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCCC2)c1 ZINC000161509377 496188374 /nfs/dbraw/zinc/18/83/74/496188374.db2.gz RXQZUWAWIPQMFR-MRXNPFEDSA-N 1 2 353.466 3.082 20 70 FGIDLO Cc1cccc2[nH+]c(CNC(=O)NC[C@@H]3CCCO[C@@H]3C(C)(C)C)cn21 ZINC000217233957 496995867 /nfs/dbraw/zinc/99/58/67/496995867.db2.gz KVMBSSSSOBAHCT-YJBOKZPZSA-N 1 2 358.486 3.283 20 70 FGIDLO Cn1c(SCc2cn3cc(Cl)ccc3[nH+]2)nnc1-c1ccccn1 ZINC000159603803 495767377 /nfs/dbraw/zinc/76/73/77/495767377.db2.gz KCDWXKVNPFHOMA-UHFFFAOYSA-N 1 2 356.842 3.471 20 70 FGIDLO CC(C)C[C@@H](CCO)CNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000159786285 495808225 /nfs/dbraw/zinc/80/82/25/495808225.db2.gz VDXQXYKHUXIBFA-IAGOWNOFSA-N 1 2 367.559 3.181 20 70 FGIDLO CCc1c(NC(=O)[C@@H]([NH3+])CC)[nH]nc1-c1ccc(Br)cc1 ZINC000159784756 495808954 /nfs/dbraw/zinc/80/89/54/495808954.db2.gz YEZCSVPWXCRUND-LBPRGKRZSA-N 1 2 351.248 3.077 20 70 FGIDLO CCc1onc(C)c1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000159931303 495843577 /nfs/dbraw/zinc/84/35/77/495843577.db2.gz KTBYMPZVLMUXMK-UHFFFAOYSA-N 1 2 355.398 3.465 20 70 FGIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)Nc1ccccc1C(F)(F)F ZINC000159962966 495850528 /nfs/dbraw/zinc/85/05/28/495850528.db2.gz YSGHRKDYPOCLFB-GFCCVEGCSA-N 1 2 362.417 3.098 20 70 FGIDLO COc1cc(/C=C/C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1F ZINC000160059626 495875005 /nfs/dbraw/zinc/87/50/05/495875005.db2.gz MQGOVDBDTOBSSN-IQIBNGDESA-N 1 2 357.429 3.062 20 70 FGIDLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccnc(OCC(F)(F)F)c1 ZINC000160090730 495881533 /nfs/dbraw/zinc/88/15/33/495881533.db2.gz YZYRMCQKJANZON-UHFFFAOYSA-N 1 2 362.311 3.461 20 70 FGIDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1c[nH]nc1C(C)(C)C ZINC000160250110 495918518 /nfs/dbraw/zinc/91/85/18/495918518.db2.gz UJROQTWBJSIWFX-UHFFFAOYSA-N 1 2 350.413 3.446 20 70 FGIDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1c[nH]nc1C(C)(C)C ZINC000160250110 495918524 /nfs/dbraw/zinc/91/85/24/495918524.db2.gz UJROQTWBJSIWFX-UHFFFAOYSA-N 1 2 350.413 3.446 20 70 FGIDLO O=C(NCCCNc1cccc[nH+]1)c1cc(F)c(F)cc1Br ZINC000160434905 495963053 /nfs/dbraw/zinc/96/30/53/495963053.db2.gz ZCCITCCVBNEFHL-UHFFFAOYSA-N 1 2 370.197 3.354 20 70 FGIDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cccc4[nH]c(=O)oc43)n2)C1 ZINC000160517028 495981296 /nfs/dbraw/zinc/98/12/96/495981296.db2.gz AAFZZBDNMOXPBQ-NSHDSACASA-N 1 2 372.450 3.062 20 70 FGIDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cccc4[nH]c(=O)oc43)n2)C1 ZINC000160517028 495981300 /nfs/dbraw/zinc/98/13/00/495981300.db2.gz AAFZZBDNMOXPBQ-NSHDSACASA-N 1 2 372.450 3.062 20 70 FGIDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)[C@@H](C)c1ccccc1 ZINC000160557413 495991823 /nfs/dbraw/zinc/99/18/23/495991823.db2.gz KALIYMUINFFINJ-MSOLQXFVSA-N 1 2 352.482 3.101 20 70 FGIDLO C[C@H](CC(=O)N[C@@H](C)C[NH+]1CCOCC1)c1ccccc1C(F)(F)F ZINC000160599077 496000647 /nfs/dbraw/zinc/00/06/47/496000647.db2.gz HHKIRMPKUBBPKV-KGLIPLIRSA-N 1 2 358.404 3.036 20 70 FGIDLO O=C(C[C@@H]1CSCCS1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000160646367 496010369 /nfs/dbraw/zinc/01/03/69/496010369.db2.gz YEQMUJBTJXICMP-CQSZACIVSA-N 1 2 363.508 3.139 20 70 FGIDLO COC(=O)c1csc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000160840486 496052054 /nfs/dbraw/zinc/05/20/54/496052054.db2.gz MFZHBRDHXZYYKX-UHFFFAOYSA-N 1 2 370.434 3.101 20 70 FGIDLO O=C([C@H]1CCCO1)N1CC[NH+](Cc2cc(-c3ccccc3)cs2)CC1 ZINC000161025694 496087979 /nfs/dbraw/zinc/08/79/79/496087979.db2.gz UNTDHDUBFWSZIO-LJQANCHMSA-N 1 2 356.491 3.238 20 70 FGIDLO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161115106 496106622 /nfs/dbraw/zinc/10/66/22/496106622.db2.gz QYLQUMWPCBTWQO-AAEUAGOBSA-N 1 2 352.265 3.500 20 70 FGIDLO C[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1c(F)cccc1F ZINC000161267263 496140385 /nfs/dbraw/zinc/14/03/85/496140385.db2.gz MFIYWRQPZPNLMP-WBVHZDCISA-N 1 2 374.431 3.086 20 70 FGIDLO C[C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1c(F)cccc1F ZINC000161267263 496140390 /nfs/dbraw/zinc/14/03/90/496140390.db2.gz MFIYWRQPZPNLMP-WBVHZDCISA-N 1 2 374.431 3.086 20 70 FGIDLO CC[N@H+](Cc1ccc2c(c1)OCO2)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000218058632 497000104 /nfs/dbraw/zinc/00/01/04/497000104.db2.gz VHXCXPHAJIGLHN-FQEVSTJZSA-N 1 2 370.424 3.396 20 70 FGIDLO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000218058632 497000106 /nfs/dbraw/zinc/00/01/06/497000106.db2.gz VHXCXPHAJIGLHN-FQEVSTJZSA-N 1 2 370.424 3.396 20 70 FGIDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCc2c(F)cc(F)cc2C1 ZINC000159385370 495721741 /nfs/dbraw/zinc/72/17/41/495721741.db2.gz ULDKRQNTRCONQQ-UHFFFAOYSA-N 1 2 372.419 3.228 20 70 FGIDLO CC(C)CCn1ccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)n1 ZINC000159658359 495780295 /nfs/dbraw/zinc/78/02/95/495780295.db2.gz MNRNYSFYHZPBSA-UHFFFAOYSA-N 1 2 361.515 3.340 20 70 FGIDLO CCOC(=O)c1cc2cc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)ccc2s1 ZINC000159715354 495792455 /nfs/dbraw/zinc/79/24/55/495792455.db2.gz WYDFUDOZXYHGLR-GFCCVEGCSA-N 1 2 369.446 3.476 20 70 FGIDLO COC(=O)c1oc([C@@H](C)[NH+]2CCN(Cc3csc(C)n3)CC2)cc1C ZINC000159719279 495793533 /nfs/dbraw/zinc/79/35/33/495793533.db2.gz ZKXSCWJVTHTZTQ-CYBMUJFWSA-N 1 2 363.483 3.018 20 70 FGIDLO O=C(Nc1ccc(OC(F)(F)F)cc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159864235 495827899 /nfs/dbraw/zinc/82/78/99/495827899.db2.gz OYZGSTFBLSCGTN-CYBMUJFWSA-N 1 2 366.343 3.381 20 70 FGIDLO O=C(CSCC[NH+]1CCOCC1)Nc1cccc(Oc2ccccc2)c1 ZINC000159879552 495831485 /nfs/dbraw/zinc/83/14/85/495831485.db2.gz WLDWKDCQDRVPSJ-UHFFFAOYSA-N 1 2 372.490 3.483 20 70 FGIDLO CCCCn1ncc(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1C ZINC000159953445 495849262 /nfs/dbraw/zinc/84/92/62/495849262.db2.gz AMRDSRKWKKMCQJ-INIZCTEOSA-N 1 2 370.501 3.297 20 70 FGIDLO Cc1cc(N2CCN(C(=O)c3cccc(C)c3F)CC2)nc(C(C)C)[nH+]1 ZINC000160147233 495895592 /nfs/dbraw/zinc/89/55/92/495895592.db2.gz VLNMOCRFUKOVAL-UHFFFAOYSA-N 1 2 356.445 3.318 20 70 FGIDLO O=C(Cc1cccc(OC(F)(F)F)c1)NCCc1cn2ccccc2[nH+]1 ZINC000160290831 495928356 /nfs/dbraw/zinc/92/83/56/495928356.db2.gz KNOUYKDPXRSJNI-UHFFFAOYSA-N 1 2 363.339 3.134 20 70 FGIDLO CCCCn1ncc(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)c1C ZINC000160318289 495934749 /nfs/dbraw/zinc/93/47/49/495934749.db2.gz GSCKVGYRKSQHDQ-GOSISDBHSA-N 1 2 369.444 3.384 20 70 FGIDLO O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160348653 495942582 /nfs/dbraw/zinc/94/25/82/495942582.db2.gz KDTXCWBKXATUGC-RBUKOAKNSA-N 1 2 370.884 3.118 20 70 FGIDLO CCN(CC)c1ccc(CNC(=O)Nc2ccn(CC(F)(F)F)n2)c[nH+]1 ZINC000160503371 495977822 /nfs/dbraw/zinc/97/78/22/495977822.db2.gz GYJVBPXWVZQCJO-UHFFFAOYSA-N 1 2 370.379 3.008 20 70 FGIDLO C[C@H](CC(=O)NCCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000160528344 495984440 /nfs/dbraw/zinc/98/44/40/495984440.db2.gz BBPGKJPFPIZEJN-CYBMUJFWSA-N 1 2 350.260 3.346 20 70 FGIDLO Cc1cccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c1Br ZINC000160609922 496002851 /nfs/dbraw/zinc/00/28/51/496002851.db2.gz TVULNQYGNDSURO-UHFFFAOYSA-N 1 2 366.284 3.454 20 70 FGIDLO Cc1cccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c1Br ZINC000160609922 496002852 /nfs/dbraw/zinc/00/28/52/496002852.db2.gz TVULNQYGNDSURO-UHFFFAOYSA-N 1 2 366.284 3.454 20 70 FGIDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1cc(CC2CC2)nn1-c1ccccc1 ZINC000160966379 496076831 /nfs/dbraw/zinc/07/68/31/496076831.db2.gz IZUCVESZZHTMCX-UHFFFAOYSA-N 1 2 364.453 3.222 20 70 FGIDLO CC[C@H](C(=O)Nc1cccc(C[NH+]2CCOCC2)c1)c1c(C)noc1C ZINC000161025640 496087705 /nfs/dbraw/zinc/08/77/05/496087705.db2.gz SALODKYMZPOVFV-SFHVURJKSA-N 1 2 357.454 3.256 20 70 FGIDLO CC(=O)NC1CCC([NH2+]c2ccc(OCc3noc(C4CC4)n3)cc2)CC1 ZINC000161177138 496119993 /nfs/dbraw/zinc/11/99/93/496119993.db2.gz CGDRYIVRZSHMGU-UHFFFAOYSA-N 1 2 370.453 3.385 20 70 FGIDLO CC(C)CCn1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000161240867 496135948 /nfs/dbraw/zinc/13/59/48/496135948.db2.gz UACZYJQUAFZRCG-UHFFFAOYSA-N 1 2 356.474 3.115 20 70 FGIDLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1C ZINC000161366017 496160945 /nfs/dbraw/zinc/16/09/45/496160945.db2.gz QOPJNUJCDWKXSC-CZUORRHYSA-N 1 2 358.404 3.266 20 70 FGIDLO CC(C)OCc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000161401563 496168575 /nfs/dbraw/zinc/16/85/75/496168575.db2.gz FKCZJHNETDWUEN-SFHVURJKSA-N 1 2 354.454 3.407 20 70 FGIDLO C[C@@H](c1ccccc1Br)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159437189 495733603 /nfs/dbraw/zinc/73/36/03/495733603.db2.gz ZRDXRRVPWWNPIF-QWHCGFSZSA-N 1 2 362.271 3.428 20 70 FGIDLO COc1ccc(C[C@H](C)CNC(=O)NCCc2cn3ccccc3[nH+]2)cc1 ZINC000159467369 495738806 /nfs/dbraw/zinc/73/88/06/495738806.db2.gz XGHWTBMQTSBCHD-INIZCTEOSA-N 1 2 366.465 3.063 20 70 FGIDLO COc1ccccc1[C@H](NC(=O)N1CCC2(CCC2)C1)c1[nH+]ccn1C ZINC000159515679 495750017 /nfs/dbraw/zinc/75/00/17/495750017.db2.gz QWCAJFXLINMMIE-KRWDZBQOSA-N 1 2 354.454 3.104 20 70 FGIDLO Cc1cccc([C@H]2CCCN2C(=O)NCc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000159550837 495757305 /nfs/dbraw/zinc/75/73/05/495757305.db2.gz MOQHBKDVOAETKY-LJQANCHMSA-N 1 2 365.481 3.432 20 70 FGIDLO CC(C)[C@H](SCC[NH+]1CCOCC1)C(=O)N1c2ccccc2C[C@H]1C ZINC000159822069 495816939 /nfs/dbraw/zinc/81/69/39/495816939.db2.gz QGDBJRIRXNRAFY-APWZRJJASA-N 1 2 362.539 3.054 20 70 FGIDLO Cc1ccccc1C(C)(C)CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159902333 495836300 /nfs/dbraw/zinc/83/63/00/495836300.db2.gz YEOVBIBNZCJDDZ-UHFFFAOYSA-N 1 2 366.509 3.195 20 70 FGIDLO Cc1ccc(-c2noc([C@@H](C)SCC[NH+]3CCOCC3)n2)cc1F ZINC000159960788 495850855 /nfs/dbraw/zinc/85/08/55/495850855.db2.gz NXWQGJJXRPRXKJ-CYBMUJFWSA-N 1 2 351.447 3.311 20 70 FGIDLO C[C@H]1CCN(C(=O)c2cn(C)nc2-c2cccs2)C[C@H]1n1cc[nH+]c1 ZINC000159994895 495859157 /nfs/dbraw/zinc/85/91/57/495859157.db2.gz ADRASVYDMITVPA-DZGCQCFKSA-N 1 2 355.467 3.068 20 70 FGIDLO CC(C)(C)OC(=O)N1CC[C@]2(CCN(c3cc(NCC4CC4)[nH+]cn3)C2)C1 ZINC000160019078 495864562 /nfs/dbraw/zinc/86/45/62/495864562.db2.gz LSTIEWULRZCACM-FQEVSTJZSA-N 1 2 373.501 3.136 20 70 FGIDLO CC(C)(C)OC(=O)N1CC[C@]2(CCN(c3cc(NCC4CC4)nc[nH+]3)C2)C1 ZINC000160019078 495864565 /nfs/dbraw/zinc/86/45/65/495864565.db2.gz LSTIEWULRZCACM-FQEVSTJZSA-N 1 2 373.501 3.136 20 70 FGIDLO OC1(C[N@@H+]2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)CCOCC1 ZINC000160048260 495871963 /nfs/dbraw/zinc/87/19/63/495871963.db2.gz VGSSMSPEIMOFDH-OAHLLOKOSA-N 1 2 364.244 3.047 20 70 FGIDLO OC1(C[N@H+]2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)CCOCC1 ZINC000160048260 495871967 /nfs/dbraw/zinc/87/19/67/495871967.db2.gz VGSSMSPEIMOFDH-OAHLLOKOSA-N 1 2 364.244 3.047 20 70 FGIDLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc3c(c2)OCCCO3)n1 ZINC000160047743 495872203 /nfs/dbraw/zinc/87/22/03/495872203.db2.gz JIYQJHHELCKZOF-SFHVURJKSA-N 1 2 367.449 3.327 20 70 FGIDLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc3c(c2)OCCCO3)n1 ZINC000160047743 495872205 /nfs/dbraw/zinc/87/22/05/495872205.db2.gz JIYQJHHELCKZOF-SFHVURJKSA-N 1 2 367.449 3.327 20 70 FGIDLO O=C1[C@H]([NH+]2CCC(c3ccn[nH]3)CC2)CCCN1c1ccccc1Cl ZINC000160071411 495876645 /nfs/dbraw/zinc/87/66/45/495876645.db2.gz BAJVRAVRYQNMNV-GOSISDBHSA-N 1 2 358.873 3.438 20 70 FGIDLO CCc1c(C(=O)NCCn2c(C)[nH+]c3ccccc32)cnn1CC(C)C ZINC000160171387 495901027 /nfs/dbraw/zinc/90/10/27/495901027.db2.gz QMGIZAOLGQRVLP-UHFFFAOYSA-N 1 2 353.470 3.190 20 70 FGIDLO CCc1oc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2OC)cc1C ZINC000160209974 495910304 /nfs/dbraw/zinc/91/03/04/495910304.db2.gz LVTVRWYTYDFYIR-SFHVURJKSA-N 1 2 353.422 3.412 20 70 FGIDLO O=C(NCc1cccc(COc2ccccc2)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160241700 495916603 /nfs/dbraw/zinc/91/66/03/495916603.db2.gz DRDAAKQCXHGFHL-LJQANCHMSA-N 1 2 361.445 3.341 20 70 FGIDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cnc(C(F)(F)F)nc2)CC1 ZINC000160584167 495997210 /nfs/dbraw/zinc/99/72/10/495997210.db2.gz NETKSCDLYVKXPP-NSHDSACASA-N 1 2 370.400 3.076 20 70 FGIDLO CN(C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)c1ccc2c(c1)OCO2 ZINC000160626535 496006107 /nfs/dbraw/zinc/00/61/07/496006107.db2.gz ZFSVRLJGBNSWKY-LJQANCHMSA-N 1 2 370.474 3.168 20 70 FGIDLO COc1cc(CCC(=O)NCCc2cn3ccccc3[nH+]2)ccc1Cl ZINC000160688393 496020780 /nfs/dbraw/zinc/02/07/80/496020780.db2.gz GPJVZPAFODKUOR-UHFFFAOYSA-N 1 2 357.841 3.288 20 70 FGIDLO CC(C)c1cc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)no1 ZINC000160849445 496054227 /nfs/dbraw/zinc/05/42/27/496054227.db2.gz XGSCTKSURGUFEZ-UHFFFAOYSA-N 1 2 354.410 3.347 20 70 FGIDLO O=C(NCCc1cn2ccccc2[nH+]1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000160873033 496059030 /nfs/dbraw/zinc/05/90/30/496059030.db2.gz VIUMOHGYYXZCAJ-GOSISDBHSA-N 1 2 363.465 3.163 20 70 FGIDLO CCO[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(N(CC)CC)[nH+]c2)C12CCC2 ZINC000160956349 496074249 /nfs/dbraw/zinc/07/42/49/496074249.db2.gz GCJPTXXZEDPDHQ-ZWKOTPCHSA-N 1 2 374.529 3.417 20 70 FGIDLO CCC[N@H+](Cc1ccc(-c2ccncc2)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000161077424 496099223 /nfs/dbraw/zinc/09/92/23/496099223.db2.gz XFXQGXHCLCJRLH-GOSISDBHSA-N 1 2 362.470 3.287 20 70 FGIDLO CCC[N@@H+](Cc1ccc(-c2ccncc2)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000161077424 496099229 /nfs/dbraw/zinc/09/92/29/496099229.db2.gz XFXQGXHCLCJRLH-GOSISDBHSA-N 1 2 362.470 3.287 20 70 FGIDLO CCC[N@H+](Cc1cc(Cl)c(OC)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000161122275 496109257 /nfs/dbraw/zinc/10/92/57/496109257.db2.gz OMFFANRDDHUBFV-GFCCVEGCSA-N 1 2 366.310 3.401 20 70 FGIDLO CCC[N@@H+](Cc1cc(Cl)c(OC)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000161122275 496109260 /nfs/dbraw/zinc/10/92/60/496109260.db2.gz OMFFANRDDHUBFV-GFCCVEGCSA-N 1 2 366.310 3.401 20 70 FGIDLO CC(C)c1ccccc1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161222741 496130607 /nfs/dbraw/zinc/13/06/07/496130607.db2.gz SOHWNZMZZBRENK-GOSISDBHSA-N 1 2 366.509 3.350 20 70 FGIDLO C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161239229 496134774 /nfs/dbraw/zinc/13/47/74/496134774.db2.gz PFYHRYJFDNXUHL-RISCZKNCSA-N 1 2 355.360 3.433 20 70 FGIDLO CCc1ccc([C@H](C)NC(=O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1 ZINC000161243858 496135666 /nfs/dbraw/zinc/13/56/66/496135666.db2.gz GMDDIQSGKULKCY-SCLBCKFNSA-N 1 2 372.431 3.061 20 70 FGIDLO O=C(CSc1nc2ccccc2s1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161254932 496137900 /nfs/dbraw/zinc/13/79/00/496137900.db2.gz SXEIXCCOTKYQJF-CYBMUJFWSA-N 1 2 370.503 3.179 20 70 FGIDLO Cc1sc(NC(=O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c(C)c1C ZINC000161322545 496153172 /nfs/dbraw/zinc/15/31/72/496153172.db2.gz OSCPWGWSLNADOR-AWEZNQCLSA-N 1 2 364.433 3.247 20 70 FGIDLO Cc1ccccc1Cc1nnc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)o1 ZINC000161445615 496178612 /nfs/dbraw/zinc/17/86/12/496178612.db2.gz UVPONQSYKQTRAY-KRWDZBQOSA-N 1 2 369.387 3.104 20 70 FGIDLO COc1ccc2oc([C@H](C)NC(=O)[C@H]3CCn4cc[nH+]c4C3)c(C)c2c1 ZINC000161463960 496181825 /nfs/dbraw/zinc/18/18/25/496181825.db2.gz RTADMWKAKLAIMB-KBPBESRZSA-N 1 2 353.422 3.386 20 70 FGIDLO COc1ccccc1[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000161504776 496188722 /nfs/dbraw/zinc/18/87/22/496188722.db2.gz CPSPXNBJBZKMHM-LAUBAEHRSA-N 1 2 361.445 3.360 20 70 FGIDLO Cc1cccc(C(=O)N2CC[NH+](CCOc3ccccc3Cl)CC2)c1O ZINC000217605711 496999218 /nfs/dbraw/zinc/99/92/18/496999218.db2.gz UIGQAFUPFDEVRK-UHFFFAOYSA-N 1 2 374.868 3.191 20 70 FGIDLO O=C(NCc1nc(C2CC2)cs1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000159369638 495718944 /nfs/dbraw/zinc/71/89/44/495718944.db2.gz DIPVPHBBWWMOFS-UHFFFAOYSA-N 1 2 357.483 3.015 20 70 FGIDLO Cc1c[nH+]ccc1NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000159386863 495722479 /nfs/dbraw/zinc/72/24/79/495722479.db2.gz ANDYTAGBHWPITQ-UHFFFAOYSA-N 1 2 358.195 3.246 20 70 FGIDLO CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000159547308 495756810 /nfs/dbraw/zinc/75/68/10/495756810.db2.gz XOYVOLQDCRKGCI-DLBZAZTESA-N 1 2 360.502 3.075 20 70 FGIDLO COc1ccc(C(F)(F)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000159694048 495789766 /nfs/dbraw/zinc/78/97/66/495789766.db2.gz SVLAZBGNLDASRQ-AWEZNQCLSA-N 1 2 363.408 3.002 20 70 FGIDLO CN1CC[NH+](Cc2cccc(NC(=O)C3CCC(F)(F)CC3)c2)CC1 ZINC000159757191 495802847 /nfs/dbraw/zinc/80/28/47/495802847.db2.gz QVZTVSYHRFTGEJ-UHFFFAOYSA-N 1 2 351.441 3.198 20 70 FGIDLO CC(C)[C@@H](SCC[NH+]1CCOCC1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000159952594 495849108 /nfs/dbraw/zinc/84/91/08/495849108.db2.gz GQJFEZFWPKYEBC-LJQANCHMSA-N 1 2 362.539 3.204 20 70 FGIDLO CCC[C@H](Cc1ccccc1)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160019213 495864373 /nfs/dbraw/zinc/86/43/73/495864373.db2.gz XDGGMIKPBJSBDF-HXUWFJFHSA-N 1 2 366.509 3.320 20 70 FGIDLO C[C@@H]1CN(c2ccc(CNC(=O)NCC3CCC(C)(C)CC3)c[nH+]2)CCO1 ZINC000160167109 495899929 /nfs/dbraw/zinc/89/99/29/495899929.db2.gz VHLKFZSJDUUEOL-MRXNPFEDSA-N 1 2 374.529 3.322 20 70 FGIDLO Cc1cncc(/C=C/C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)c1 ZINC000160319723 495934539 /nfs/dbraw/zinc/93/45/39/495934539.db2.gz IVJAEKKYNZMPFW-OVKVCFKUSA-N 1 2 350.397 3.182 20 70 FGIDLO CC(C)S(=O)(=O)CCC[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000160660143 496014110 /nfs/dbraw/zinc/01/41/10/496014110.db2.gz JVJIBCZSNSYJDC-UHFFFAOYSA-N 1 2 353.406 3.230 20 70 FGIDLO CC(C)S(=O)(=O)CCC[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000160660143 496014112 /nfs/dbraw/zinc/01/41/12/496014112.db2.gz JVJIBCZSNSYJDC-UHFFFAOYSA-N 1 2 353.406 3.230 20 70 FGIDLO CSc1cc(C)ccc1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160696574 496022359 /nfs/dbraw/zinc/02/23/59/496022359.db2.gz DSORVUJTORIFKK-UHFFFAOYSA-N 1 2 370.522 3.139 20 70 FGIDLO CC(C)n1nccc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160708431 496025369 /nfs/dbraw/zinc/02/53/69/496025369.db2.gz BJIAIRQQUGISAQ-DOTOQJQBSA-N 1 2 363.412 3.309 20 70 FGIDLO CC(C)n1nccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160708431 496025373 /nfs/dbraw/zinc/02/53/73/496025373.db2.gz BJIAIRQQUGISAQ-DOTOQJQBSA-N 1 2 363.412 3.309 20 70 FGIDLO Cc1nc(CC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c(C)s1 ZINC000160832602 496050776 /nfs/dbraw/zinc/05/07/76/496050776.db2.gz MRIGBOHVYPWTNE-UHFFFAOYSA-N 1 2 350.513 3.384 20 70 FGIDLO Cc1[nH+]c2ccccn2c1CN(C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000160914612 496066705 /nfs/dbraw/zinc/06/67/05/496066705.db2.gz XUQNLBDLSQQFIB-OAHLLOKOSA-N 1 2 357.458 3.391 20 70 FGIDLO O=C(Nc1cccc(OCc2cscn2)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161119316 496107824 /nfs/dbraw/zinc/10/78/24/496107824.db2.gz QZMZUPKTIABPCI-ZDUSSCGKSA-N 1 2 354.435 3.120 20 70 FGIDLO CC(C)C(=O)NCCN(C)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000161215839 496129924 /nfs/dbraw/zinc/12/99/24/496129924.db2.gz YKWKAQIGAZICJV-UHFFFAOYSA-N 1 2 356.426 3.110 20 70 FGIDLO CC(C)(C)OC(=O)Nc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161424202 496173625 /nfs/dbraw/zinc/17/36/25/496173625.db2.gz BFINOFHCHNZQPS-CYBMUJFWSA-N 1 2 356.426 3.431 20 70 FGIDLO Cc1sc2[nH]c(C[N@@H+]3CCCN(c4ccccc4)CC3)nc(=O)c2c1C ZINC000161443512 496177067 /nfs/dbraw/zinc/17/70/67/496177067.db2.gz YXURCZYYDBJZAD-UHFFFAOYSA-N 1 2 368.506 3.314 20 70 FGIDLO Cc1sc2[nH]c(C[N@H+]3CCCN(c4ccccc4)CC3)nc(=O)c2c1C ZINC000161443512 496177071 /nfs/dbraw/zinc/17/70/71/496177071.db2.gz YXURCZYYDBJZAD-UHFFFAOYSA-N 1 2 368.506 3.314 20 70 FGIDLO CC(C)[C@@H](NC(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)c1ccccc1 ZINC000161479674 496184343 /nfs/dbraw/zinc/18/43/43/496184343.db2.gz LMUSPGJTJYIYMJ-QZTJIDSGSA-N 1 2 372.431 3.135 20 70 FGIDLO COc1ccc([C@H](NC(=O)NC[C@]2(C)CCCS2)c2[nH+]ccn2C)cc1 ZINC000159535083 495753461 /nfs/dbraw/zinc/75/34/61/495753461.db2.gz AEDBISZUGMEZBM-LPHOPBHVSA-N 1 2 374.510 3.103 20 70 FGIDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c(OC)c1 ZINC000159849952 495824226 /nfs/dbraw/zinc/82/42/26/495824226.db2.gz MAAPYTWMSCLXSY-SFHVURJKSA-N 1 2 355.438 3.183 20 70 FGIDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(C)n2)c(OC)c1 ZINC000159849952 495824228 /nfs/dbraw/zinc/82/42/28/495824228.db2.gz MAAPYTWMSCLXSY-SFHVURJKSA-N 1 2 355.438 3.183 20 70 FGIDLO CCC[C@H](NC(=O)[C@H](C)SCC[NH+]1CCOCC1)c1ccccc1 ZINC000160047909 495872431 /nfs/dbraw/zinc/87/24/31/495872431.db2.gz QHLIUVVMCBTNNW-WMZOPIPTSA-N 1 2 350.528 3.098 20 70 FGIDLO CCCC1(CNC(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)CCC1 ZINC000160078715 495879313 /nfs/dbraw/zinc/87/93/13/495879313.db2.gz FHQYRSFPEAZLHC-MRXNPFEDSA-N 1 2 360.502 3.076 20 70 FGIDLO Cc1c(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cnn1-c1cc(C)ccc1C ZINC000160095228 495883280 /nfs/dbraw/zinc/88/32/80/495883280.db2.gz LKEMNTNWIGJAGB-GOSISDBHSA-N 1 2 363.465 3.299 20 70 FGIDLO Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)cc2F)n1 ZINC000160133187 495892897 /nfs/dbraw/zinc/89/28/97/495892897.db2.gz YADVMRZZBLSHEY-AWEZNQCLSA-N 1 2 353.401 3.026 20 70 FGIDLO C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160309597 495932307 /nfs/dbraw/zinc/93/23/07/495932307.db2.gz KVBSKVPLYKHADM-CVEARBPZSA-N 1 2 355.482 3.327 20 70 FGIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000160318820 495934791 /nfs/dbraw/zinc/93/47/91/495934791.db2.gz FFHOMSVYIZPGRL-SUMWQHHRSA-N 1 2 369.456 3.072 20 70 FGIDLO FC(F)(F)c1cnc(N2CC[NH+](CC3=CCCOC3)CC2)c(Cl)c1 ZINC000160437087 495962688 /nfs/dbraw/zinc/96/26/88/495962688.db2.gz RVTWHTKVWXSGCL-UHFFFAOYSA-N 1 2 361.795 3.223 20 70 FGIDLO CC(C)Cn1ncc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1C1CC1 ZINC000160470840 495970183 /nfs/dbraw/zinc/97/01/83/495970183.db2.gz IUBOTIWGRIZCNR-INIZCTEOSA-N 1 2 369.513 3.245 20 70 FGIDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCc2ncccc2F)C[C@H](C)O1 ZINC000160897536 496063494 /nfs/dbraw/zinc/06/34/94/496063494.db2.gz GLZZMBULRPPISV-GJZGRUSLSA-N 1 2 372.444 3.152 20 70 FGIDLO Clc1ccccc1-c1nnc(CN2CC[NH+](Cc3ccncc3)CC2)o1 ZINC000161166793 496117595 /nfs/dbraw/zinc/11/75/95/496117595.db2.gz DDTMVTCLQHDGSW-UHFFFAOYSA-N 1 2 369.856 3.103 20 70 FGIDLO C[C@H](C(=O)Nc1cccc2ccccc21)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161179305 496121657 /nfs/dbraw/zinc/12/16/57/496121657.db2.gz ZBDYRAPDLRZCOK-GOSISDBHSA-N 1 2 374.488 3.380 20 70 FGIDLO O=C(Nc1cc(F)c(F)cc1F)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000161382485 496165328 /nfs/dbraw/zinc/16/53/28/496165328.db2.gz VWYIGRDVSLTUCT-LLVKDONJSA-N 1 2 350.344 3.289 20 70 FGIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(N2CCCCC2)cc1 ZINC000161403030 496169377 /nfs/dbraw/zinc/16/93/77/496169377.db2.gz HRGWUNLCLMHBMS-SFHVURJKSA-N 1 2 350.466 3.081 20 70 FGIDLO Cc1cc(C)c(CCNC(=O)N2CC[NH+](Cc3ccccn3)CC2)c(C)c1 ZINC000159387634 495722129 /nfs/dbraw/zinc/72/21/29/495722129.db2.gz XEWIEIWSYPKEJD-UHFFFAOYSA-N 1 2 366.509 3.077 20 70 FGIDLO C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(-n2cncn2)cc1Cl ZINC000159426550 495729679 /nfs/dbraw/zinc/72/96/79/495729679.db2.gz KJBMPEUFVAKYLJ-CYBMUJFWSA-N 1 2 352.829 3.419 20 70 FGIDLO Cc1ccc(NC(=O)C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c(C)c1 ZINC000159448948 495734627 /nfs/dbraw/zinc/73/46/27/495734627.db2.gz NXIXWXHHJVYHRH-JOCHJYFZSA-N 1 2 350.462 3.416 20 70 FGIDLO Cc1ccc(NC(=O)C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)c(C)c1 ZINC000159448948 495734634 /nfs/dbraw/zinc/73/46/34/495734634.db2.gz NXIXWXHHJVYHRH-JOCHJYFZSA-N 1 2 350.462 3.416 20 70 FGIDLO CCC1(CC)[C@H](NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)C[C@@H]1OC ZINC000159546885 495757074 /nfs/dbraw/zinc/75/70/74/495757074.db2.gz XOYVOLQDCRKGCI-SJORKVTESA-N 1 2 360.502 3.075 20 70 FGIDLO CCC1(CC)[C@H](NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)C[C@H]1OC ZINC000159547150 495757266 /nfs/dbraw/zinc/75/72/66/495757266.db2.gz XOYVOLQDCRKGCI-IAGOWNOFSA-N 1 2 360.502 3.075 20 70 FGIDLO O=C(Nc1ccc(Br)cc1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159711045 495792774 /nfs/dbraw/zinc/79/27/74/495792774.db2.gz LVQZYQIUFOSCAZ-AWEZNQCLSA-N 1 2 361.243 3.245 20 70 FGIDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cccc2nc[nH]c21 ZINC000159745556 495799796 /nfs/dbraw/zinc/79/97/96/495799796.db2.gz JLYOWVIAXOKYIT-UHFFFAOYSA-N 1 2 363.465 3.337 20 70 FGIDLO CC(C)(CNC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccccc1F ZINC000159890686 495833973 /nfs/dbraw/zinc/83/39/73/495833973.db2.gz BSWFAONMSYWFPX-UHFFFAOYSA-N 1 2 370.472 3.026 20 70 FGIDLO Cc1cccc2c(CCC(=O)NCc3cccnc3-n3cc[nH+]c3)c[nH]c21 ZINC000159953716 495849435 /nfs/dbraw/zinc/84/94/35/495849435.db2.gz RIGZJLYSHIJVNO-UHFFFAOYSA-N 1 2 359.433 3.306 20 70 FGIDLO Cc1cccc([C@@H]2CCC[N@@H+]2CCOc2cccc(S(C)(=O)=O)c2)n1 ZINC000160063479 495875871 /nfs/dbraw/zinc/87/58/71/495875871.db2.gz VSBLCJLMRNDCAR-IBGZPJMESA-N 1 2 360.479 3.009 20 70 FGIDLO Cc1cccc([C@@H]2CCC[N@H+]2CCOc2cccc(S(C)(=O)=O)c2)n1 ZINC000160063479 495875873 /nfs/dbraw/zinc/87/58/73/495875873.db2.gz VSBLCJLMRNDCAR-IBGZPJMESA-N 1 2 360.479 3.009 20 70 FGIDLO Cc1noc(C)c1[C@@H](C)CC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000160173778 495901219 /nfs/dbraw/zinc/90/12/19/495901219.db2.gz QCWGNVMWICUQMX-AWEZNQCLSA-N 1 2 359.445 3.269 20 70 FGIDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@]2(C)CCCc3ccccc32)CC1 ZINC000160259863 495921402 /nfs/dbraw/zinc/92/14/02/495921402.db2.gz VKOXYIREVXTQIR-QFIPXVFZSA-N 1 2 367.493 3.230 20 70 FGIDLO CC[N@H+](Cc1ccc(-c2cccc(F)c2C)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000160543811 495988096 /nfs/dbraw/zinc/98/80/96/495988096.db2.gz DACTUEYRNOXGEI-CQSZACIVSA-N 1 2 351.443 3.403 20 70 FGIDLO CC[N@@H+](Cc1ccc(-c2cccc(F)c2C)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000160543811 495988101 /nfs/dbraw/zinc/98/81/01/495988101.db2.gz DACTUEYRNOXGEI-CQSZACIVSA-N 1 2 351.443 3.403 20 70 FGIDLO C[C@H](c1ccccc1)[C@H](C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160557528 495991370 /nfs/dbraw/zinc/99/13/70/495991370.db2.gz KALIYMUINFFINJ-ROUUACIJSA-N 1 2 352.482 3.101 20 70 FGIDLO C[N@H+](Cc1ccc([S@](C)=O)cc1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000160689759 496021104 /nfs/dbraw/zinc/02/11/04/496021104.db2.gz LRJQUOXILRVGRV-NIYFSFCBSA-N 1 2 374.481 3.191 20 70 FGIDLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000160689759 496021108 /nfs/dbraw/zinc/02/11/08/496021108.db2.gz LRJQUOXILRVGRV-NIYFSFCBSA-N 1 2 374.481 3.191 20 70 FGIDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccccc1C(=O)OC ZINC000160890638 496062069 /nfs/dbraw/zinc/06/20/69/496062069.db2.gz FGGMVADYDSOZLP-UHFFFAOYSA-N 1 2 370.449 3.333 20 70 FGIDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccccc1C(=O)OC ZINC000160890638 496062071 /nfs/dbraw/zinc/06/20/71/496062071.db2.gz FGGMVADYDSOZLP-UHFFFAOYSA-N 1 2 370.449 3.333 20 70 FGIDLO COc1ccc(Cl)cc1-c1cc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)n[nH]1 ZINC000161125271 496108881 /nfs/dbraw/zinc/10/88/81/496108881.db2.gz AJXJDGQSCHHMJR-NSHDSACASA-N 1 2 371.828 3.136 20 70 FGIDLO COc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1N ZINC000161278363 496143170 /nfs/dbraw/zinc/14/31/70/496143170.db2.gz GCOOKYXWWZUJBP-GOSISDBHSA-N 1 2 357.479 3.006 20 70 FGIDLO Cc1cccc(-c2cncc(C(=O)N3CC[NH+](Cc4cccnc4)CC3)c2)c1 ZINC000161287220 496143987 /nfs/dbraw/zinc/14/39/87/496143987.db2.gz VTYMTRHJELSUSD-UHFFFAOYSA-N 1 2 372.472 3.410 20 70 FGIDLO C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161408350 496170200 /nfs/dbraw/zinc/17/02/00/496170200.db2.gz LLYLEBZNOSUHBQ-CABZTGNLSA-N 1 2 361.389 3.494 20 70 FGIDLO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000217666474 496999480 /nfs/dbraw/zinc/99/94/80/496999480.db2.gz NRTVKZUJWQQWGN-GOSISDBHSA-N 1 2 372.852 3.269 20 70 FGIDLO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000217666474 496999485 /nfs/dbraw/zinc/99/94/85/496999485.db2.gz NRTVKZUJWQQWGN-GOSISDBHSA-N 1 2 372.852 3.269 20 70 FGIDLO C[C@H](c1ccc(NC(=O)c2cccc3nc[nH]c32)cc1)[NH+]1CCOCC1 ZINC000159428549 495731555 /nfs/dbraw/zinc/73/15/55/495731555.db2.gz IIBWDBYOOUSHGL-CQSZACIVSA-N 1 2 350.422 3.208 20 70 FGIDLO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159613583 495770466 /nfs/dbraw/zinc/77/04/66/495770466.db2.gz FYEJEANBYWSRKC-VGOFRKELSA-N 1 2 350.462 3.496 20 70 FGIDLO Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159613583 495770470 /nfs/dbraw/zinc/77/04/70/495770470.db2.gz FYEJEANBYWSRKC-VGOFRKELSA-N 1 2 350.462 3.496 20 70 FGIDLO Clc1cnc(N2CCN(c3cccc[nH+]3)CC2)c(Br)c1 ZINC000159725376 495795149 /nfs/dbraw/zinc/79/51/49/495795149.db2.gz YRQDCKBJJPOWRH-UHFFFAOYSA-N 1 2 353.651 3.219 20 70 FGIDLO O=C(Nc1ccccc1)[C@H](SCC[NH+]1CCOCC1)c1ccccc1 ZINC000159921081 495841170 /nfs/dbraw/zinc/84/11/70/495841170.db2.gz LGUNNACQTPROHS-LJQANCHMSA-N 1 2 356.491 3.432 20 70 FGIDLO Cc1c(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)oc2ccccc12 ZINC000160234449 495915137 /nfs/dbraw/zinc/91/51/37/495915137.db2.gz NAKSEJNVONSYJI-UHFFFAOYSA-N 1 2 364.449 3.164 20 70 FGIDLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1cc(F)ccc1F ZINC000160347839 495942156 /nfs/dbraw/zinc/94/21/56/495942156.db2.gz VVVBUSAUPZYMQG-LJQANCHMSA-N 1 2 374.435 3.338 20 70 FGIDLO COc1ccc(OC)c(CN2CC[NH+](Cc3c[nH]nc3C(C)(C)C)CC2)c1 ZINC000161045438 496092510 /nfs/dbraw/zinc/09/25/10/496092510.db2.gz BJEJVTAAZQXGPT-UHFFFAOYSA-N 1 2 372.513 3.042 20 70 FGIDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3c[nH]nc3C(C)(C)C)CC2)c1 ZINC000161045438 496092515 /nfs/dbraw/zinc/09/25/15/496092515.db2.gz BJEJVTAAZQXGPT-UHFFFAOYSA-N 1 2 372.513 3.042 20 70 FGIDLO C[C@@H](c1nnc(-c2cccs2)o1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161212090 496128011 /nfs/dbraw/zinc/12/80/11/496128011.db2.gz MNIDOAZYIIDFNL-AWEZNQCLSA-N 1 2 355.467 3.072 20 70 FGIDLO CC(C)CCn1ccc(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000161228550 496132318 /nfs/dbraw/zinc/13/23/18/496132318.db2.gz YRCJBMOVPAKDIK-UHFFFAOYSA-N 1 2 356.474 3.246 20 70 FGIDLO CC1(O)CC[NH+](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000161232352 496133395 /nfs/dbraw/zinc/13/33/95/496133395.db2.gz XUOZWQXJGOKMNJ-UHFFFAOYSA-N 1 2 351.661 3.432 20 70 FGIDLO CC[C@H](C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)c1ccc(F)cc1 ZINC000161276364 496141848 /nfs/dbraw/zinc/14/18/48/496141848.db2.gz MFDXJCLLTJMIJG-KRWDZBQOSA-N 1 2 357.429 3.498 20 70 FGIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Cl)c2cccnc12 ZINC000161303901 496147488 /nfs/dbraw/zinc/14/74/88/496147488.db2.gz NFPNZZQZRQGELK-ZDUSSCGKSA-N 1 2 352.825 3.292 20 70 FGIDLO O=C(Nc1ccc(-c2csnn2)cc1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161374470 496162619 /nfs/dbraw/zinc/16/26/19/496162619.db2.gz BRJWCHOKXKYZKS-HNNXBMFYSA-N 1 2 366.450 3.001 20 70 FGIDLO Cn1ncc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1C(F)(F)F ZINC000159460919 495736934 /nfs/dbraw/zinc/73/69/34/495736934.db2.gz JDZMWALZZFCSKC-KRWDZBQOSA-N 1 2 351.372 3.113 20 70 FGIDLO Cn1ncc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1C(F)(F)F ZINC000159460919 495736937 /nfs/dbraw/zinc/73/69/37/495736937.db2.gz JDZMWALZZFCSKC-KRWDZBQOSA-N 1 2 351.372 3.113 20 70 FGIDLO C[C@H](c1cccc(F)c1)N1CC[NH+](CC[S@](=O)c2ccccc2)CC1 ZINC000159465789 495737736 /nfs/dbraw/zinc/73/77/36/495737736.db2.gz QSEOCKQZWYSJEQ-CRICUBBOSA-N 1 2 360.498 3.312 20 70 FGIDLO COc1ccc([C@@H](NC(=O)NC[C@]2(C)CCCS2)c2[nH+]ccn2C)cc1 ZINC000159535368 495755224 /nfs/dbraw/zinc/75/52/24/495755224.db2.gz AEDBISZUGMEZBM-APWZRJJASA-N 1 2 374.510 3.103 20 70 FGIDLO CCOC(=O)c1cccnc1N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000159728046 495796630 /nfs/dbraw/zinc/79/66/30/495796630.db2.gz RMWPKLYLUUWEJG-UHFFFAOYSA-N 1 2 350.422 3.140 20 70 FGIDLO Cc1nc(C2CC[NH+]([C@H](C)c3nc(Cc4ccccc4)no3)CC2)no1 ZINC000159995537 495859806 /nfs/dbraw/zinc/85/98/06/495859806.db2.gz FGNUJHWHPYPVKG-CYBMUJFWSA-N 1 2 353.426 3.292 20 70 FGIDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1csc([C@@H]2CCCO2)n1 ZINC000160170480 495900742 /nfs/dbraw/zinc/90/07/42/495900742.db2.gz HTBDKEWQLNUUEN-INIZCTEOSA-N 1 2 356.451 3.083 20 70 FGIDLO Cc1cccnc1[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)C(C)C ZINC000160236215 495914792 /nfs/dbraw/zinc/91/47/92/495914792.db2.gz UWWLVZXVNPYLBP-LJQANCHMSA-N 1 2 367.497 3.010 20 70 FGIDLO O=C(c1ccc(F)cc1C(F)(F)F)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000160283746 495926201 /nfs/dbraw/zinc/92/62/01/495926201.db2.gz MXLPSHZNFMMVGM-CQSZACIVSA-N 1 2 374.378 3.171 20 70 FGIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000160318963 495934780 /nfs/dbraw/zinc/93/47/80/495934780.db2.gz FFHOMSVYIZPGRL-CXAGYDPISA-N 1 2 369.456 3.072 20 70 FGIDLO CC[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1cc(F)ccc1F ZINC000160347723 495942227 /nfs/dbraw/zinc/94/22/27/495942227.db2.gz VVVBUSAUPZYMQG-IBGZPJMESA-N 1 2 374.435 3.338 20 70 FGIDLO O=C(NCCCCNc1cccc[nH+]1)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000160431958 495961933 /nfs/dbraw/zinc/96/19/33/495961933.db2.gz WSFRTHBOLSIPDT-SFHVURJKSA-N 1 2 370.453 3.263 20 70 FGIDLO CC[N@H+](Cc1cc(Cl)cc(Cl)c1OC)[C@H]1CCS(=O)(=O)C1 ZINC000160566483 495993856 /nfs/dbraw/zinc/99/38/56/495993856.db2.gz ZGEBYRUNMCGIGA-LBPRGKRZSA-N 1 2 352.283 3.011 20 70 FGIDLO CC[N@@H+](Cc1cc(Cl)cc(Cl)c1OC)[C@H]1CCS(=O)(=O)C1 ZINC000160566483 495993860 /nfs/dbraw/zinc/99/38/60/495993860.db2.gz ZGEBYRUNMCGIGA-LBPRGKRZSA-N 1 2 352.283 3.011 20 70 FGIDLO Clc1cccnc1N1CC[C@@H](Nc2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000160767043 496038205 /nfs/dbraw/zinc/03/82/05/496038205.db2.gz ULHSKGDEZIUWFE-CQSZACIVSA-N 1 2 358.877 3.206 20 70 FGIDLO Clc1cccnc1N1CC[C@@H](Nc2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000160767043 496038207 /nfs/dbraw/zinc/03/82/07/496038207.db2.gz ULHSKGDEZIUWFE-CQSZACIVSA-N 1 2 358.877 3.206 20 70 FGIDLO O=C(NCCc1cn2ccccc2[nH+]1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000160873173 496058934 /nfs/dbraw/zinc/05/89/34/496058934.db2.gz VIUMOHGYYXZCAJ-SFHVURJKSA-N 1 2 363.465 3.163 20 70 FGIDLO CCC(=O)N1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)CC1 ZINC000160955413 496074659 /nfs/dbraw/zinc/07/46/59/496074659.db2.gz DFGMOZPCBABYEH-MRXNPFEDSA-N 1 2 356.470 3.359 20 70 FGIDLO CCC(=O)N1CCC[N@H+]([C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)CC1 ZINC000160955413 496074665 /nfs/dbraw/zinc/07/46/65/496074665.db2.gz DFGMOZPCBABYEH-MRXNPFEDSA-N 1 2 356.470 3.359 20 70 FGIDLO O=C(NC1(c2cccc(Br)c2)CCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161045705 496091839 /nfs/dbraw/zinc/09/18/39/496091839.db2.gz ITXJENJFRBVAOM-ZDUSSCGKSA-N 1 2 374.282 3.404 20 70 FGIDLO Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000161277361 496143346 /nfs/dbraw/zinc/14/33/46/496143346.db2.gz HZUITVOEJQNZLI-XJKSGUPXSA-N 1 2 358.404 3.266 20 70 FGIDLO Cc1ccc(-c2cncc(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)c2)cc1 ZINC000161362742 496159958 /nfs/dbraw/zinc/15/99/58/496159958.db2.gz YUDNCBKXODAAFF-HXUWFJFHSA-N 1 2 358.445 3.461 20 70 FGIDLO Cn1cc[nH+]c1[C@H](NC(=O)NC[C@]1(C)CCCS1)c1cccc(F)c1 ZINC000159475138 495740541 /nfs/dbraw/zinc/74/05/41/495740541.db2.gz SGNGQRSTFHGIOH-QAPCUYQASA-N 1 2 362.474 3.234 20 70 FGIDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2nc(-c3ccco3)no2)CC1 ZINC000159485926 495742335 /nfs/dbraw/zinc/74/23/35/495742335.db2.gz VBPAIQZXTZLPCH-AWEZNQCLSA-N 1 2 356.401 3.348 20 70 FGIDLO CCCCn1ncc(NC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c1C ZINC000159503436 495748049 /nfs/dbraw/zinc/74/80/49/495748049.db2.gz KYJRZIYLLKLQPY-UHFFFAOYSA-N 1 2 372.473 3.176 20 70 FGIDLO Cc1[nH]nc(C(C)C)c1C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000159622783 495772403 /nfs/dbraw/zinc/77/24/03/495772403.db2.gz NNUVLDARRLVFRG-AWEZNQCLSA-N 1 2 350.413 3.152 20 70 FGIDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1c(F)cc(F)cc1F ZINC000159647653 495777530 /nfs/dbraw/zinc/77/75/30/495777530.db2.gz UVCSPKNVWGZKIJ-UHFFFAOYSA-N 1 2 359.351 3.321 20 70 FGIDLO CN(C)c1[nH+]cccc1CNC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000159756521 495802715 /nfs/dbraw/zinc/80/27/15/495802715.db2.gz SXGFVYVDDWZVII-KRWDZBQOSA-N 1 2 374.872 3.164 20 70 FGIDLO O=C(Nc1nc(-c2c(F)cccc2F)cs1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159802753 495811664 /nfs/dbraw/zinc/81/16/64/495811664.db2.gz MYALDGMIFCQFRM-SNVBAGLBSA-N 1 2 360.389 3.486 20 70 FGIDLO CCN(C(C)=O)c1nc(C[N@H+](CCc2nccs2)C(C)C)cs1 ZINC000159818718 495816773 /nfs/dbraw/zinc/81/67/73/495816773.db2.gz ZUECUKGAXFTHID-UHFFFAOYSA-N 1 2 352.529 3.426 20 70 FGIDLO CCN(C(C)=O)c1nc(C[N@@H+](CCc2nccs2)C(C)C)cs1 ZINC000159818718 495816778 /nfs/dbraw/zinc/81/67/78/495816778.db2.gz ZUECUKGAXFTHID-UHFFFAOYSA-N 1 2 352.529 3.426 20 70 FGIDLO C[C@@H](NC(=O)[C@@H](C)SCC[NH+]1CCOCC1)c1cccc2ccccc21 ZINC000159956444 495848982 /nfs/dbraw/zinc/84/89/82/495848982.db2.gz GNEGAHHBGXDPSN-IAGOWNOFSA-N 1 2 372.534 3.471 20 70 FGIDLO CC(C)[C@@H](SCC[NH+]1CCOCC1)C(=O)Nc1ccccc1Cl ZINC000160022370 495865390 /nfs/dbraw/zinc/86/53/90/495865390.db2.gz HGSLZINSHMYYHV-MRXNPFEDSA-N 1 2 356.919 3.369 20 70 FGIDLO COc1ccc2nc(C)cc(C(=O)NCCc3cn4c([nH+]3)CCCC4)c2c1 ZINC000160042711 495869668 /nfs/dbraw/zinc/86/96/68/495869668.db2.gz WXPOKGJCLNATMS-UHFFFAOYSA-N 1 2 364.449 3.057 20 70 FGIDLO COc1ccc([C@H](NC(=O)N2CC[C@H](C)[C@H](C)C2)c2[nH+]ccn2C)cc1 ZINC000160054194 495873594 /nfs/dbraw/zinc/87/35/94/495873594.db2.gz OOHSNUNMSNWEQB-DAYGRLMNSA-N 1 2 356.470 3.206 20 70 FGIDLO CCCC1(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)CCC1 ZINC000160073586 495878450 /nfs/dbraw/zinc/87/84/50/495878450.db2.gz NNGAPMBEVCBXGO-IAGOWNOFSA-N 1 2 374.529 3.465 20 70 FGIDLO Cc1ccc(OC2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)cc1C ZINC000160093245 495881719 /nfs/dbraw/zinc/88/17/19/495881719.db2.gz SXIHYFREEYZBML-QGZVFWFLSA-N 1 2 353.466 3.132 20 70 FGIDLO O=C(Nc1cccc(COCc2ccco2)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160106946 495885085 /nfs/dbraw/zinc/88/50/85/495885085.db2.gz GTTKUMNHQJPQCK-MRXNPFEDSA-N 1 2 351.406 3.394 20 70 FGIDLO CCc1oc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2OC)cc1C ZINC000160210084 495910734 /nfs/dbraw/zinc/91/07/34/495910734.db2.gz LVTVRWYTYDFYIR-GOSISDBHSA-N 1 2 353.422 3.412 20 70 FGIDLO Cc1ccc([C@H](C)CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000160333580 495938986 /nfs/dbraw/zinc/93/89/86/495938986.db2.gz FPFCBHJDBIVXSO-GOSISDBHSA-N 1 2 352.482 3.021 20 70 FGIDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1nc2ccccc2s1 ZINC000160406960 495956259 /nfs/dbraw/zinc/95/62/59/495956259.db2.gz RNOAVWNUYWGMEL-UHFFFAOYSA-N 1 2 353.447 3.381 20 70 FGIDLO COc1ccc(C2(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCCCC2)cc1 ZINC000160478260 495972815 /nfs/dbraw/zinc/97/28/15/495972815.db2.gz CWRXECIWZCGWPW-QGZVFWFLSA-N 1 2 367.493 3.472 20 70 FGIDLO CC[N@H+](Cc1ccc(-c2c(F)cccc2F)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000160551002 495989620 /nfs/dbraw/zinc/98/96/20/495989620.db2.gz NJBJXJJTJQIHCD-GFCCVEGCSA-N 1 2 355.406 3.234 20 70 FGIDLO CC[N@@H+](Cc1ccc(-c2c(F)cccc2F)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000160551002 495989625 /nfs/dbraw/zinc/98/96/25/495989625.db2.gz NJBJXJJTJQIHCD-GFCCVEGCSA-N 1 2 355.406 3.234 20 70 FGIDLO CCOc1ccc(S(=O)(=O)Nc2cc[nH+]cc2C)cc1Br ZINC000160631027 496007122 /nfs/dbraw/zinc/00/71/22/496007122.db2.gz NSTAXEVUOKBOKI-UHFFFAOYSA-N 1 2 371.256 3.352 20 70 FGIDLO Cc1nc(C[NH+]2CCN(c3cnccn3)CC2)oc1-c1ccc(Cl)cc1 ZINC000160777649 496039914 /nfs/dbraw/zinc/03/99/14/496039914.db2.gz GZGLAOWPVMOUSC-UHFFFAOYSA-N 1 2 369.856 3.416 20 70 FGIDLO COC(=O)c1csc(NC(=O)NCCCn2c(C)[nH+]c3ccccc32)c1 ZINC000160841344 496052256 /nfs/dbraw/zinc/05/22/56/496052256.db2.gz APRXCLPWEXWMKU-UHFFFAOYSA-N 1 2 372.450 3.405 20 70 FGIDLO CCC(=O)N1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)CC1 ZINC000160955300 496074790 /nfs/dbraw/zinc/07/47/90/496074790.db2.gz DFGMOZPCBABYEH-INIZCTEOSA-N 1 2 356.470 3.359 20 70 FGIDLO CCC(=O)N1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)CC1 ZINC000160955300 496074794 /nfs/dbraw/zinc/07/47/94/496074794.db2.gz DFGMOZPCBABYEH-INIZCTEOSA-N 1 2 356.470 3.359 20 70 FGIDLO O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000160980527 496078602 /nfs/dbraw/zinc/07/86/02/496078602.db2.gz SGIBSJMEPLFXMK-BZSNNMDCSA-N 1 2 354.454 3.219 20 70 FGIDLO COCCC1(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000161000325 496081749 /nfs/dbraw/zinc/08/17/49/496081749.db2.gz SUNAUOWQUPYYKM-RTBURBONSA-N 1 2 368.481 3.228 20 70 FGIDLO O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161005635 496083184 /nfs/dbraw/zinc/08/31/84/496083184.db2.gz KGSIJWFTCIRWNW-CJNGLKHVSA-N 1 2 361.392 3.241 20 70 FGIDLO CCC[N@H+](Cc1ccccc1OCc1ccccn1)[C@H]1CCS(=O)(=O)C1 ZINC000161092932 496100886 /nfs/dbraw/zinc/10/08/86/496100886.db2.gz YNRPGDCVHSOGBS-IBGZPJMESA-N 1 2 374.506 3.060 20 70 FGIDLO CCC[N@@H+](Cc1ccccc1OCc1ccccn1)[C@H]1CCS(=O)(=O)C1 ZINC000161092932 496100891 /nfs/dbraw/zinc/10/08/91/496100891.db2.gz YNRPGDCVHSOGBS-IBGZPJMESA-N 1 2 374.506 3.060 20 70 FGIDLO CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000161137953 496111324 /nfs/dbraw/zinc/11/13/24/496111324.db2.gz UIZCCXALSSHFGD-CQSZACIVSA-N 1 2 373.844 3.094 20 70 FGIDLO C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161215284 496129317 /nfs/dbraw/zinc/12/93/17/496129317.db2.gz QTCZMSFYUMNRHR-IINYFYTJSA-N 1 2 364.795 3.302 20 70 FGIDLO CC(C)c1ccccc1NC(=O)[C@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161222854 496131178 /nfs/dbraw/zinc/13/11/78/496131178.db2.gz SOHWNZMZZBRENK-SFHVURJKSA-N 1 2 366.509 3.350 20 70 FGIDLO C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161239484 496134649 /nfs/dbraw/zinc/13/46/49/496134649.db2.gz PFYHRYJFDNXUHL-BXUZGUMPSA-N 1 2 355.360 3.433 20 70 FGIDLO Cc1cc(C)c(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccncc3)CC2)c(C)c1 ZINC000161238701 496134934 /nfs/dbraw/zinc/13/49/34/496134934.db2.gz KHHLHGMQRCPEET-LJQANCHMSA-N 1 2 366.509 3.152 20 70 FGIDLO Cc1ccc(NC(=O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1Cl ZINC000161270665 496141834 /nfs/dbraw/zinc/14/18/34/496141834.db2.gz AYJVCYMYDHIPGL-HNNXBMFYSA-N 1 2 364.795 3.222 20 70 FGIDLO Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161282273 496144246 /nfs/dbraw/zinc/14/42/46/496144246.db2.gz CEGGDZPABWHDMB-BBRMVZONSA-N 1 2 358.404 3.266 20 70 FGIDLO Cc1cc(N[C@@H](Cc2ccccc2)C(=O)NC2CC2)nc(-c2ccncc2)[nH+]1 ZINC000161321663 496151275 /nfs/dbraw/zinc/15/12/75/496151275.db2.gz KFKKHLLTGRFOBD-IBGZPJMESA-N 1 2 373.460 3.149 20 70 FGIDLO O=C([C@H]1C[C@H]1c1cccnc1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161353468 496157997 /nfs/dbraw/zinc/15/79/97/496157997.db2.gz DMKIUWXJZXRQGE-ROUUACIJSA-N 1 2 355.869 3.183 20 70 FGIDLO Cc1noc(C)c1[C@@H](C)CNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000161391619 496167684 /nfs/dbraw/zinc/16/76/84/496167684.db2.gz NPSJXNLKIJWSOO-AWEZNQCLSA-N 1 2 372.469 3.049 20 70 FGIDLO Cc1cccc2[nH+]c(CNC(=O)NC[C@H]3CCCO[C@@H]3C(C)(C)C)cn21 ZINC000217233958 496996308 /nfs/dbraw/zinc/99/63/08/496996308.db2.gz KVMBSSSSOBAHCT-QAPCUYQASA-N 1 2 358.486 3.283 20 70 FGIDLO c1csc(-c2noc(C[N@@H+]3CCO[C@@]4(CCc5ccccc54)C3)n2)c1 ZINC000159369562 495718011 /nfs/dbraw/zinc/71/80/11/495718011.db2.gz VNNLWAFTEXITNY-IBGZPJMESA-N 1 2 353.447 3.472 20 70 FGIDLO c1csc(-c2noc(C[N@H+]3CCO[C@@]4(CCc5ccccc54)C3)n2)c1 ZINC000159369562 495718017 /nfs/dbraw/zinc/71/80/17/495718017.db2.gz VNNLWAFTEXITNY-IBGZPJMESA-N 1 2 353.447 3.472 20 70 FGIDLO COc1cc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)ccc1SC ZINC000159457813 495736996 /nfs/dbraw/zinc/73/69/96/495736996.db2.gz JTUZVYZQTYOSPS-CVEARBPZSA-N 1 2 363.479 3.335 20 70 FGIDLO COc1cc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)ccc1SC ZINC000159457813 495736999 /nfs/dbraw/zinc/73/69/99/495736999.db2.gz JTUZVYZQTYOSPS-CVEARBPZSA-N 1 2 363.479 3.335 20 70 FGIDLO C[C@H](Cc1ccc(O)cc1)NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000159579264 495763119 /nfs/dbraw/zinc/76/31/19/495763119.db2.gz ULPDSSCHFBFZTR-CVEARBPZSA-N 1 2 373.522 3.473 20 70 FGIDLO C[N@H+](CCN1CCCC1=O)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000159655599 495780149 /nfs/dbraw/zinc/78/01/49/495780149.db2.gz YSKDIVGLILZUTR-UHFFFAOYSA-N 1 2 351.422 3.143 20 70 FGIDLO C[N@@H+](CCN1CCCC1=O)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000159655599 495780154 /nfs/dbraw/zinc/78/01/54/495780154.db2.gz YSKDIVGLILZUTR-UHFFFAOYSA-N 1 2 351.422 3.143 20 70 FGIDLO COc1cccc(Cl)c1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000159940424 495846644 /nfs/dbraw/zinc/84/66/44/495846644.db2.gz YXUQFXHQYWOJQU-UHFFFAOYSA-N 1 2 374.868 3.362 20 70 FGIDLO CC(C)[C@H]1C[N@@H+]([C@H](C(N)=O)c2cccc(Br)c2)CCS1 ZINC000159976882 495854170 /nfs/dbraw/zinc/85/41/70/495854170.db2.gz VZMSWSJODLYZIB-KGLIPLIRSA-N 1 2 357.317 3.049 20 70 FGIDLO CC(C)[C@H]1C[N@H+]([C@H](C(N)=O)c2cccc(Br)c2)CCS1 ZINC000159976882 495854176 /nfs/dbraw/zinc/85/41/76/495854176.db2.gz VZMSWSJODLYZIB-KGLIPLIRSA-N 1 2 357.317 3.049 20 70 FGIDLO CC(C)Cn1ncc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C1CC1 ZINC000159996030 495859656 /nfs/dbraw/zinc/85/96/56/495859656.db2.gz XRFFIRZTWPDPLO-MAUKXSAKSA-N 1 2 355.486 3.336 20 70 FGIDLO O=C(NCCCCCc1ccccc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160003425 495861111 /nfs/dbraw/zinc/86/11/11/495861111.db2.gz LNCNQKKLSMZPBA-UHFFFAOYSA-N 1 2 366.509 3.322 20 70 FGIDLO CC(C)Cc1ccc([C@H](C)NC(=O)CSCC[NH+]2CCOCC2)cc1 ZINC000160011026 495863876 /nfs/dbraw/zinc/86/38/76/495863876.db2.gz RAOMOJAAIBDRFE-KRWDZBQOSA-N 1 2 364.555 3.128 20 70 FGIDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)C(C)(C)c1ccccc1 ZINC000160025246 495865629 /nfs/dbraw/zinc/86/56/29/495865629.db2.gz VWDPYFJEBLMILS-GOSISDBHSA-N 1 2 366.509 3.275 20 70 FGIDLO CC[C@@H](NC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C)c1nccs1 ZINC000160123121 495888707 /nfs/dbraw/zinc/88/87/07/495888707.db2.gz GXVSNXSGMUDHOP-KGLIPLIRSA-N 1 2 368.453 3.475 20 70 FGIDLO CCC[C@@H]1CN(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)CCO1 ZINC000160162129 495898685 /nfs/dbraw/zinc/89/86/85/495898685.db2.gz YDFFLLYHYWUCPI-GOSISDBHSA-N 1 2 360.502 3.028 20 70 FGIDLO C[C@@H](CC(=O)NCCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000160528208 495984309 /nfs/dbraw/zinc/98/43/09/495984309.db2.gz BBPGKJPFPIZEJN-ZDUSSCGKSA-N 1 2 350.260 3.346 20 70 FGIDLO CCn1ncc2ccc(NC(=O)N[C@H]3CCCN(c4cccc[nH+]4)C3)cc21 ZINC000160567086 495994000 /nfs/dbraw/zinc/99/40/00/495994000.db2.gz DBIWKRUQKRCJHU-KRWDZBQOSA-N 1 2 364.453 3.242 20 70 FGIDLO CCC[N@H+](Cc1cc(C(F)(F)F)ccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000161103646 496104382 /nfs/dbraw/zinc/10/43/82/496104382.db2.gz AYOKDDQSCFRIQS-ZDUSSCGKSA-N 1 2 353.381 3.244 20 70 FGIDLO CCC[N@@H+](Cc1cc(C(F)(F)F)ccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000161103646 496104387 /nfs/dbraw/zinc/10/43/87/496104387.db2.gz AYOKDDQSCFRIQS-ZDUSSCGKSA-N 1 2 353.381 3.244 20 70 FGIDLO COc1cc(CCC(=O)N2CC[NH+](Cc3ccccn3)CC2)ccc1Cl ZINC000161113154 496106473 /nfs/dbraw/zinc/10/64/73/496106473.db2.gz BXAYYHWFWXWFEK-UHFFFAOYSA-N 1 2 373.884 3.021 20 70 FGIDLO Cc1cc(C)c(NC(=O)[C@H](C)N2CC[NH+](Cc3ccncc3)CC2)c(C)c1 ZINC000161238832 496134181 /nfs/dbraw/zinc/13/41/81/496134181.db2.gz KHHLHGMQRCPEET-IBGZPJMESA-N 1 2 366.509 3.152 20 70 FGIDLO O=C(Nc1nnc(-c2cccc(Cl)c2)s1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161297606 496146083 /nfs/dbraw/zinc/14/60/83/496146083.db2.gz WNRXCPLQMCTCTL-SNVBAGLBSA-N 1 2 359.842 3.256 20 70 FGIDLO CCC1(CO)CC[NH+](Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000161304551 496149053 /nfs/dbraw/zinc/14/90/53/496149053.db2.gz CWGHOJBJYOIZRG-UHFFFAOYSA-N 1 2 352.276 3.310 20 70 FGIDLO CC[C@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cnnn1C ZINC000161501615 496187490 /nfs/dbraw/zinc/18/74/90/496187490.db2.gz OPPNKPAXZCUDFM-LBPRGKRZSA-N 1 2 369.391 3.073 20 70 FGIDLO CC[C@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cnnn1C ZINC000161501615 496187498 /nfs/dbraw/zinc/18/74/98/496187498.db2.gz OPPNKPAXZCUDFM-LBPRGKRZSA-N 1 2 369.391 3.073 20 70 FGIDLO Cc1cccc2[nH+]c(CNC(=O)NC[C@H]3CCCO[C@H]3C(C)(C)C)cn21 ZINC000217233961 496995832 /nfs/dbraw/zinc/99/58/32/496995832.db2.gz KVMBSSSSOBAHCT-CRAIPNDOSA-N 1 2 358.486 3.283 20 70 FGIDLO Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159387774 495722232 /nfs/dbraw/zinc/72/22/32/495722232.db2.gz QAWHSTBEXGSQPC-QHCPKHFHSA-N 1 2 364.489 3.127 20 70 FGIDLO Cc1ccccc1CN(C)C(=O)C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159387774 495722237 /nfs/dbraw/zinc/72/22/37/495722237.db2.gz QAWHSTBEXGSQPC-QHCPKHFHSA-N 1 2 364.489 3.127 20 70 FGIDLO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000159420119 495728530 /nfs/dbraw/zinc/72/85/30/495728530.db2.gz WVGBZZLQMNLKJQ-XJKSGUPXSA-N 1 2 360.527 3.487 20 70 FGIDLO C[N@H+](Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)CC(C)(CO)CO ZINC000159530172 495752451 /nfs/dbraw/zinc/75/24/51/495752451.db2.gz CBTNXXVKAPVWSI-UHFFFAOYSA-N 1 2 374.428 3.252 20 70 FGIDLO C[N@@H+](Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)CC(C)(CO)CO ZINC000159530172 495752454 /nfs/dbraw/zinc/75/24/54/495752454.db2.gz CBTNXXVKAPVWSI-UHFFFAOYSA-N 1 2 374.428 3.252 20 70 FGIDLO Cc1cc(S(=O)(=O)N(C)c2ccc[nH+]c2N(C)C)c(Cl)cc1F ZINC000159788090 495810125 /nfs/dbraw/zinc/81/01/25/495810125.db2.gz DOXOFRUPZHDOPQ-UHFFFAOYSA-N 1 2 357.838 3.074 20 70 FGIDLO COc1ccccc1-c1csc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000159847982 495822707 /nfs/dbraw/zinc/82/27/07/495822707.db2.gz HYLZUIAEJKSPCP-GFCCVEGCSA-N 1 2 354.435 3.216 20 70 FGIDLO O=C(NCc1ccc(COc2ccccc2)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000159922269 495841029 /nfs/dbraw/zinc/84/10/29/495841029.db2.gz YKHNBXMMGMIEGI-IBGZPJMESA-N 1 2 361.445 3.341 20 70 FGIDLO Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)oc1C ZINC000159956637 495849561 /nfs/dbraw/zinc/84/95/61/495849561.db2.gz CKTKOJOYUFEMMA-KRWDZBQOSA-N 1 2 356.466 3.260 20 70 FGIDLO C[C@@H](NC(=O)[C@H](C)SCC[NH+]1CCOCC1)c1cc2ccccc2o1 ZINC000160057788 495874615 /nfs/dbraw/zinc/87/46/15/495874615.db2.gz DGQUACAABWLNDF-CABCVRRESA-N 1 2 362.495 3.064 20 70 FGIDLO Cc1c(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cnn1-c1cc(C)ccc1C ZINC000160095372 495882929 /nfs/dbraw/zinc/88/29/29/495882929.db2.gz LKEMNTNWIGJAGB-SFHVURJKSA-N 1 2 363.465 3.299 20 70 FGIDLO CCC[C@H]1CN(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)CCO1 ZINC000160162231 495898545 /nfs/dbraw/zinc/89/85/45/495898545.db2.gz YDFFLLYHYWUCPI-SFHVURJKSA-N 1 2 360.502 3.028 20 70 FGIDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1nn(-c3ccccc3Cl)cc1C)C2 ZINC000160171126 495901135 /nfs/dbraw/zinc/90/11/35/495901135.db2.gz ULHOBGXHONYKPM-CQSZACIVSA-N 1 2 369.856 3.084 20 70 FGIDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H](C)Cc2ccccc2F)CC1 ZINC000160689002 496020605 /nfs/dbraw/zinc/02/06/05/496020605.db2.gz CIAWVGOAUVCLKZ-DLBZAZTESA-N 1 2 355.457 3.305 20 70 FGIDLO O=C(NC1CC[NH+](Cc2noc(-c3ccsc3)n2)CC1)C1CCCCC1 ZINC000160735080 496031012 /nfs/dbraw/zinc/03/10/12/496031012.db2.gz QSFWZZYWNPYMRW-UHFFFAOYSA-N 1 2 374.510 3.459 20 70 FGIDLO O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000160980659 496079088 /nfs/dbraw/zinc/07/90/88/496079088.db2.gz SGIBSJMEPLFXMK-OKZBNKHCSA-N 1 2 354.454 3.219 20 70 FGIDLO O=C([C@@H]1C[C@@H]1c1cccnc1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161353139 496157576 /nfs/dbraw/zinc/15/75/76/496157576.db2.gz DMKIUWXJZXRQGE-QZTJIDSGSA-N 1 2 355.869 3.183 20 70 FGIDLO COCCSc1ccc([C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161400278 496168325 /nfs/dbraw/zinc/16/83/25/496168325.db2.gz WMJRCBLTELSVRE-GDBMZVCRSA-N 1 2 359.495 3.061 20 70 FGIDLO Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1C ZINC000161437164 496176243 /nfs/dbraw/zinc/17/62/43/496176243.db2.gz PBNRZJMONIYMKA-KBXCAEBGSA-N 1 2 372.431 3.116 20 70 FGIDLO CC(C)(C)O[C@@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000161474069 496183191 /nfs/dbraw/zinc/18/31/91/496183191.db2.gz DVWFMTWTSNNYBL-IEBWSBKVSA-N 1 2 353.466 3.333 20 70 FGIDLO CC(=O)Nc1nc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)cs1 ZINC000161479543 496183872 /nfs/dbraw/zinc/18/38/72/496183872.db2.gz OXAIEDGWRNKSAX-QGZVFWFLSA-N 1 2 361.467 3.360 20 70 FGIDLO O=C1[C@@H]([N@@H+]2CCO[C@@H](c3ccccc3)C2)CCCN1c1cccc(F)c1 ZINC000217213540 496996247 /nfs/dbraw/zinc/99/62/47/496996247.db2.gz FAMBZXJHJKKANY-VQTJNVASSA-N 1 2 354.425 3.395 20 70 FGIDLO O=C1[C@@H]([N@H+]2CCO[C@@H](c3ccccc3)C2)CCCN1c1cccc(F)c1 ZINC000217213540 496996250 /nfs/dbraw/zinc/99/62/50/496996250.db2.gz FAMBZXJHJKKANY-VQTJNVASSA-N 1 2 354.425 3.395 20 70 FGIDLO c1csc(-c2noc(C[N@@H+]3CCO[C@]4(CCc5ccccc54)C3)n2)c1 ZINC000159369423 495718819 /nfs/dbraw/zinc/71/88/19/495718819.db2.gz VNNLWAFTEXITNY-LJQANCHMSA-N 1 2 353.447 3.472 20 70 FGIDLO c1csc(-c2noc(C[N@H+]3CCO[C@]4(CCc5ccccc54)C3)n2)c1 ZINC000159369423 495718822 /nfs/dbraw/zinc/71/88/22/495718822.db2.gz VNNLWAFTEXITNY-LJQANCHMSA-N 1 2 353.447 3.472 20 70 FGIDLO COC(=O)c1cc(C[N@H+](C)[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)oc1C ZINC000159402241 495725682 /nfs/dbraw/zinc/72/56/82/495725682.db2.gz WEDLTUMONKFPJB-UONOGXRCSA-N 1 2 370.449 3.173 20 70 FGIDLO COC(=O)c1cc(C[N@@H+](C)[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)oc1C ZINC000159402241 495725684 /nfs/dbraw/zinc/72/56/84/495725684.db2.gz WEDLTUMONKFPJB-UONOGXRCSA-N 1 2 370.449 3.173 20 70 FGIDLO CC[C@@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1ccc(C(=O)NC)cc1 ZINC000159652309 495778708 /nfs/dbraw/zinc/77/87/08/495778708.db2.gz KPDJKLDENDPBEI-IBGZPJMESA-N 1 2 354.450 3.173 20 70 FGIDLO CC[C@@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1ccc(C(=O)NC)cc1 ZINC000159652309 495778712 /nfs/dbraw/zinc/77/87/12/495778712.db2.gz KPDJKLDENDPBEI-IBGZPJMESA-N 1 2 354.450 3.173 20 70 FGIDLO C[C@]1(CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)CCCS1 ZINC000159899492 495835231 /nfs/dbraw/zinc/83/52/31/495835231.db2.gz IAROPQHNJMVPON-LJQANCHMSA-N 1 2 358.511 3.059 20 70 FGIDLO CC(C)[C@H](SCC[NH+]1CCOCC1)C(=O)Nc1cccc2ncccc21 ZINC000159982004 495855580 /nfs/dbraw/zinc/85/55/80/495855580.db2.gz DYDFKDYMPVXEGJ-IBGZPJMESA-N 1 2 373.522 3.263 20 70 FGIDLO CC(C)(C)OC(=O)N1CC[C@@]2(CCN(c3cc(NCC4CC4)[nH+]cn3)C2)C1 ZINC000160019201 495865002 /nfs/dbraw/zinc/86/50/02/495865002.db2.gz LSTIEWULRZCACM-HXUWFJFHSA-N 1 2 373.501 3.136 20 70 FGIDLO CC(C)(C)OC(=O)N1CC[C@@]2(CCN(c3cc(NCC4CC4)nc[nH+]3)C2)C1 ZINC000160019201 495865006 /nfs/dbraw/zinc/86/50/06/495865006.db2.gz LSTIEWULRZCACM-HXUWFJFHSA-N 1 2 373.501 3.136 20 70 FGIDLO Cc1cc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)ccc1F ZINC000160022836 495865468 /nfs/dbraw/zinc/86/54/68/495865468.db2.gz XYXOKBVQJWPIMH-UXHICEINSA-N 1 2 369.440 3.251 20 70 FGIDLO Cc1cc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)ccc1F ZINC000160022836 495865476 /nfs/dbraw/zinc/86/54/76/495865476.db2.gz XYXOKBVQJWPIMH-UXHICEINSA-N 1 2 369.440 3.251 20 70 FGIDLO CCN(CC)c1ccc(CNC(=O)N2CCO[C@@H](c3ccsc3)C2)c[nH+]1 ZINC000160068980 495876976 /nfs/dbraw/zinc/87/69/76/495876976.db2.gz KZDKDIYYHJASOD-QGZVFWFLSA-N 1 2 374.510 3.272 20 70 FGIDLO CCN(CC)c1ccc(CNC(=O)N2CCO[C@H](c3ccsc3)C2)c[nH+]1 ZINC000160068833 495877111 /nfs/dbraw/zinc/87/71/11/495877111.db2.gz KZDKDIYYHJASOD-KRWDZBQOSA-N 1 2 374.510 3.272 20 70 FGIDLO COc1c(C[NH2+]Cc2csc(COc3ccc(C)cc3)n2)c(C)nn1C ZINC000160113182 495886329 /nfs/dbraw/zinc/88/63/29/495886329.db2.gz WIJWQUSICLECMV-UHFFFAOYSA-N 1 2 372.494 3.371 20 70 FGIDLO Brc1cccc2c(N3CCC(n4ccnn4)CC3)cc[nH+]c12 ZINC000160199957 495906682 /nfs/dbraw/zinc/90/66/82/495906682.db2.gz QNPJDKATLKWZOR-UHFFFAOYSA-N 1 2 358.243 3.430 20 70 FGIDLO O=C(N[C@H]1CCOC2(CCCC2)C1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000160228943 495914295 /nfs/dbraw/zinc/91/42/95/495914295.db2.gz FVYHMLMZRXXJLU-OALUTQOASA-N 1 2 374.550 3.385 20 70 FGIDLO CC(C)(C)n1cc(C[N@@H+]2CCC[C@@H]2C(N)=O)c(-c2ccccc2Cl)n1 ZINC000160365974 495946263 /nfs/dbraw/zinc/94/62/63/495946263.db2.gz HRSFJABPVYHNSL-MRXNPFEDSA-N 1 2 360.889 3.408 20 70 FGIDLO CC(C)(C)n1cc(C[N@H+]2CCC[C@@H]2C(N)=O)c(-c2ccccc2Cl)n1 ZINC000160365974 495946264 /nfs/dbraw/zinc/94/62/64/495946264.db2.gz HRSFJABPVYHNSL-MRXNPFEDSA-N 1 2 360.889 3.408 20 70 FGIDLO CCC(=O)c1cccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000160730554 496029566 /nfs/dbraw/zinc/02/95/66/496029566.db2.gz NMRJDEXIJSFQAA-UHFFFAOYSA-N 1 2 352.434 3.364 20 70 FGIDLO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCN(c4cnccn4)CC3)o2)cc1C ZINC000160777929 496040040 /nfs/dbraw/zinc/04/00/40/496040040.db2.gz ZGSGLKYTWUBFNV-INIZCTEOSA-N 1 2 364.453 3.027 20 70 FGIDLO O=C(C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC1CCCCC1 ZINC000161105244 496103631 /nfs/dbraw/zinc/10/36/31/496103631.db2.gz QNLIKKMGAVLMHP-SJORKVTESA-N 1 2 370.415 3.262 20 70 FGIDLO O=C(C[N@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC1CCCCC1 ZINC000161105244 496103638 /nfs/dbraw/zinc/10/36/38/496103638.db2.gz QNLIKKMGAVLMHP-SJORKVTESA-N 1 2 370.415 3.262 20 70 FGIDLO CCCn1cc(C[N@H+](C)CC(=O)Nc2ccccc2Br)cn1 ZINC000161173880 496120647 /nfs/dbraw/zinc/12/06/47/496120647.db2.gz PTJCOGIMGVIFJI-UHFFFAOYSA-N 1 2 365.275 3.126 20 70 FGIDLO CCCn1cc(C[N@@H+](C)CC(=O)Nc2ccccc2Br)cn1 ZINC000161173880 496120650 /nfs/dbraw/zinc/12/06/50/496120650.db2.gz PTJCOGIMGVIFJI-UHFFFAOYSA-N 1 2 365.275 3.126 20 70 FGIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000161191338 496123482 /nfs/dbraw/zinc/12/34/82/496123482.db2.gz ARBDYAOWKOWTQZ-MRXNPFEDSA-N 1 2 366.465 3.058 20 70 FGIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000161191338 496123488 /nfs/dbraw/zinc/12/34/88/496123488.db2.gz ARBDYAOWKOWTQZ-MRXNPFEDSA-N 1 2 366.465 3.058 20 70 FGIDLO Cc1nc(-c2cccc(NC(=O)[C@H](C(C)C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)no1 ZINC000161223978 496130838 /nfs/dbraw/zinc/13/08/38/496130838.db2.gz CQEZXARJXUENPT-IYOUNJFTSA-N 1 2 372.469 3.117 20 70 FGIDLO Cc1nc(-c2cccc(NC(=O)[C@H](C(C)C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)no1 ZINC000161223978 496130842 /nfs/dbraw/zinc/13/08/42/496130842.db2.gz CQEZXARJXUENPT-IYOUNJFTSA-N 1 2 372.469 3.117 20 70 FGIDLO O=C(/C=C/c1nc2ccccc2s1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161271246 496142074 /nfs/dbraw/zinc/14/20/74/496142074.db2.gz DKNPTCDSOVVVIS-MYSGNRETSA-N 1 2 350.447 3.100 20 70 FGIDLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1C ZINC000161365756 496161745 /nfs/dbraw/zinc/16/17/45/496161745.db2.gz QOPJNUJCDWKXSC-CJNGLKHVSA-N 1 2 358.404 3.266 20 70 FGIDLO COCCSc1ccc([C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161400131 496168643 /nfs/dbraw/zinc/16/86/43/496168643.db2.gz WMJRCBLTELSVRE-GOEBONIOSA-N 1 2 359.495 3.061 20 70 FGIDLO O=C1[C@H]([N@@H+]2CCO[C@@H](c3ccccc3)C2)CCCN1c1cccc(F)c1 ZINC000217213546 496996409 /nfs/dbraw/zinc/99/64/09/496996409.db2.gz FAMBZXJHJKKANY-WOJBJXKFSA-N 1 2 354.425 3.395 20 70 FGIDLO O=C1[C@H]([N@H+]2CCO[C@@H](c3ccccc3)C2)CCCN1c1cccc(F)c1 ZINC000217213546 496996412 /nfs/dbraw/zinc/99/64/12/496996412.db2.gz FAMBZXJHJKKANY-WOJBJXKFSA-N 1 2 354.425 3.395 20 70 FGIDLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](C)C1(C(=O)OC)CCCC1 ZINC000159389700 495723079 /nfs/dbraw/zinc/72/30/79/495723079.db2.gz IJDMZANLHSFMDT-HNNXBMFYSA-N 1 2 364.511 3.002 20 70 FGIDLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)C1(C(=O)OC)CCCC1 ZINC000159389700 495723084 /nfs/dbraw/zinc/72/30/84/495723084.db2.gz IJDMZANLHSFMDT-HNNXBMFYSA-N 1 2 364.511 3.002 20 70 FGIDLO Brc1ccc2nc(C[NH+]3CCC(n4cccn4)CC3)[nH]c2c1 ZINC000159573337 495761662 /nfs/dbraw/zinc/76/16/62/495761662.db2.gz CMHZCPMFKQTPJK-UHFFFAOYSA-N 1 2 360.259 3.359 20 70 FGIDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)C(C)C)CC1 ZINC000159913637 495839742 /nfs/dbraw/zinc/83/97/42/495839742.db2.gz QSBCVQJWYTVWPE-FQEVSTJZSA-N 1 2 369.509 3.451 20 70 FGIDLO O=C(NCc1ccc(COc2ccccc2)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159922132 495841019 /nfs/dbraw/zinc/84/10/19/495841019.db2.gz YKHNBXMMGMIEGI-LJQANCHMSA-N 1 2 361.445 3.341 20 70 FGIDLO CCc1noc(C)c1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000159932698 495844493 /nfs/dbraw/zinc/84/44/93/495844493.db2.gz QJIJBMZNWRUCKY-UHFFFAOYSA-N 1 2 355.398 3.465 20 70 FGIDLO O=C(NCCn1cc[nH+]c1)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000160290231 495927853 /nfs/dbraw/zinc/92/78/53/495927853.db2.gz MYQRMTSCYJUXAE-CYBMUJFWSA-N 1 2 369.252 3.053 20 70 FGIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000160318671 495934840 /nfs/dbraw/zinc/93/48/40/495934840.db2.gz FFHOMSVYIZPGRL-DYVFJYSZSA-N 1 2 369.456 3.072 20 70 FGIDLO COc1ccc([C@@H](NC(=O)c2ccc(C(C)C)nc2)c2[nH+]ccn2C)cc1 ZINC000160335675 495938890 /nfs/dbraw/zinc/93/88/90/495938890.db2.gz PPYHBCTWDAVXJB-LJQANCHMSA-N 1 2 364.449 3.467 20 70 FGIDLO CC[N@H+](Cc1cc(Cl)cc(Cl)c1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000160566338 495993918 /nfs/dbraw/zinc/99/39/18/495993918.db2.gz ZGEBYRUNMCGIGA-GFCCVEGCSA-N 1 2 352.283 3.011 20 70 FGIDLO CC[N@@H+](Cc1cc(Cl)cc(Cl)c1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000160566338 495993921 /nfs/dbraw/zinc/99/39/21/495993921.db2.gz ZGEBYRUNMCGIGA-GFCCVEGCSA-N 1 2 352.283 3.011 20 70 FGIDLO CCOc1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1Br ZINC000160625556 496006234 /nfs/dbraw/zinc/00/62/34/496006234.db2.gz ZZSHVKJSHGIAEU-UHFFFAOYSA-N 1 2 357.229 3.044 20 70 FGIDLO CCN(CC(=O)Nc1cccc(OC)c1)Cc1c[nH+]c2ccc(C)cn12 ZINC000160652164 496012794 /nfs/dbraw/zinc/01/27/94/496012794.db2.gz VKRGFVYFDKRRBJ-UHFFFAOYSA-N 1 2 352.438 3.112 20 70 FGIDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1cnc2ccc(C)cn12 ZINC000160652164 496012795 /nfs/dbraw/zinc/01/27/95/496012795.db2.gz VKRGFVYFDKRRBJ-UHFFFAOYSA-N 1 2 352.438 3.112 20 70 FGIDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1cnc2ccc(C)cn12 ZINC000160652164 496012798 /nfs/dbraw/zinc/01/27/98/496012798.db2.gz VKRGFVYFDKRRBJ-UHFFFAOYSA-N 1 2 352.438 3.112 20 70 FGIDLO C[C@H](Cc1ccccc1F)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000160688881 496021151 /nfs/dbraw/zinc/02/11/51/496021151.db2.gz CIAWVGOAUVCLKZ-SJORKVTESA-N 1 2 355.457 3.305 20 70 FGIDLO CCC(=O)c1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)c1 ZINC000160725242 496028643 /nfs/dbraw/zinc/02/86/43/496028643.db2.gz IRTRGTSLLXXTOI-NRFANRHFSA-N 1 2 366.461 3.416 20 70 FGIDLO C[N@H+](CCc1nccs1)Cc1nc2ccc(Br)cc2[nH]1 ZINC000161013846 496085627 /nfs/dbraw/zinc/08/56/27/496085627.db2.gz IHGHBLRQNMRQIX-UHFFFAOYSA-N 1 2 351.273 3.456 20 70 FGIDLO C[N@@H+](CCc1nccs1)Cc1nc2ccc(Br)cc2[nH]1 ZINC000161013846 496085632 /nfs/dbraw/zinc/08/56/32/496085632.db2.gz IHGHBLRQNMRQIX-UHFFFAOYSA-N 1 2 351.273 3.456 20 70 FGIDLO CC[C@@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)c1nccs1 ZINC000161070482 496096561 /nfs/dbraw/zinc/09/65/61/496096561.db2.gz JYISZFRLEJYSPQ-NEPJUHHUSA-N 1 2 354.273 3.173 20 70 FGIDLO CC(C)NC(=O)c1ccc(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)cc1 ZINC000161106212 496105154 /nfs/dbraw/zinc/10/51/54/496105154.db2.gz WVPCWXBGIDFKPB-UHFFFAOYSA-N 1 2 362.433 3.478 20 70 FGIDLO O=C([C@@H]1C[C@H]1c1cccnc1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161353331 496157497 /nfs/dbraw/zinc/15/74/97/496157497.db2.gz DMKIUWXJZXRQGE-ZWKOTPCHSA-N 1 2 355.869 3.183 20 70 FGIDLO C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161408608 496169849 /nfs/dbraw/zinc/16/98/49/496169849.db2.gz LLYLEBZNOSUHBQ-JOYOIKCWSA-N 1 2 361.389 3.494 20 70 FGIDLO CC(C)OCc1cccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000161443413 496177431 /nfs/dbraw/zinc/17/74/31/496177431.db2.gz IUCFVUWTKNOVAC-GOSISDBHSA-N 1 2 354.454 3.407 20 70 FGIDLO C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1nc(-c2ccccc2)cs1 ZINC000161483006 496184078 /nfs/dbraw/zinc/18/40/78/496184078.db2.gz PBMJBTHYITZNPO-ZFWWWQNUSA-N 1 2 352.463 3.446 20 70 FGIDLO COCc1ccccc1NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000161479988 496184441 /nfs/dbraw/zinc/18/44/41/496184441.db2.gz BOLHUWOOCMKEGF-UHFFFAOYSA-N 1 2 357.429 3.322 20 70 FGIDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)NCC(C)(C)C(=O)NC)c1 ZINC000159445655 495734813 /nfs/dbraw/zinc/73/48/13/495734813.db2.gz XNDGBRUCCAHAAJ-UHFFFAOYSA-N 1 2 371.485 3.244 20 70 FGIDLO O[C@@H](C[C@H]1COCC[N@@H+]1Cc1ccc(OC(F)F)cc1)c1ccco1 ZINC000159532909 495753517 /nfs/dbraw/zinc/75/35/17/495753517.db2.gz FREUTPYXJXPQIV-HOCLYGCPSA-N 1 2 353.365 3.206 20 70 FGIDLO O[C@@H](C[C@H]1COCC[N@H+]1Cc1ccc(OC(F)F)cc1)c1ccco1 ZINC000159532909 495753520 /nfs/dbraw/zinc/75/35/20/495753520.db2.gz FREUTPYXJXPQIV-HOCLYGCPSA-N 1 2 353.365 3.206 20 70 FGIDLO COc1ccc([C@H](NC(=O)NC[C@@]2(C)CCCS2)c2[nH+]ccn2C)cc1 ZINC000159534953 495753644 /nfs/dbraw/zinc/75/36/44/495753644.db2.gz AEDBISZUGMEZBM-QFBILLFUSA-N 1 2 374.510 3.103 20 70 FGIDLO Cc1cccc(C)c1CCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000159550994 495756944 /nfs/dbraw/zinc/75/69/44/495756944.db2.gz NHAAAFHNUAJSRO-UHFFFAOYSA-N 1 2 352.482 3.341 20 70 FGIDLO CCC1(CC)[C@@H](NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)C[C@@H]1OC ZINC000159547034 495757391 /nfs/dbraw/zinc/75/73/91/495757391.db2.gz XOYVOLQDCRKGCI-IRXDYDNUSA-N 1 2 360.502 3.075 20 70 FGIDLO C[C@H]([C@H](C)NC(=O)Nc1cccc(N2CCC(C)CC2)c1)[NH+]1CCOCC1 ZINC000159719947 495793960 /nfs/dbraw/zinc/79/39/60/495793960.db2.gz YFYKIXUEGNUSPU-ZWKOTPCHSA-N 1 2 374.529 3.154 20 70 FGIDLO CC[C@@H](Cc1ccccc1Br)C(=O)NCCn1cc[nH+]c1 ZINC000159788837 495810137 /nfs/dbraw/zinc/81/01/37/495810137.db2.gz KGAXMGHEBLKYKJ-ZDUSSCGKSA-N 1 2 350.260 3.031 20 70 FGIDLO Cc1cccc([C@H](NC(=O)[C@@H](C)[NH+]2CCSCC2)c2ccccn2)c1 ZINC000159834369 495820764 /nfs/dbraw/zinc/82/07/64/495820764.db2.gz UVJHYFNSGUCTEQ-APWZRJJASA-N 1 2 355.507 3.033 20 70 FGIDLO CCN(Cc1c[nH+]c(C)n1-c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159896331 495834886 /nfs/dbraw/zinc/83/48/86/495834886.db2.gz AOXAJHORYSINIP-UHFFFAOYSA-N 1 2 373.460 3.439 20 70 FGIDLO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160101883 495884204 /nfs/dbraw/zinc/88/42/04/495884204.db2.gz WECAHZWURYRJBS-RBUKOAKNSA-N 1 2 370.884 3.118 20 70 FGIDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000160109341 495885127 /nfs/dbraw/zinc/88/51/27/495885127.db2.gz ZSPGQJCSHWOSDV-GFCCVEGCSA-N 1 2 354.841 3.165 20 70 FGIDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1nn(-c3ccccc3Cl)cc1C)C2 ZINC000160171258 495900620 /nfs/dbraw/zinc/90/06/20/495900620.db2.gz ULHOBGXHONYKPM-AWEZNQCLSA-N 1 2 369.856 3.084 20 70 FGIDLO O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000160228824 495914435 /nfs/dbraw/zinc/91/44/35/495914435.db2.gz FVYHMLMZRXXJLU-RTBURBONSA-N 1 2 374.550 3.385 20 70 FGIDLO COc1ccc([C@@H](NC(=O)c2cccc(C)c2F)c2[nH+]ccn2C)cc1 ZINC000160250643 495918607 /nfs/dbraw/zinc/91/86/07/495918607.db2.gz JZAGSVCWQZPQPK-GOSISDBHSA-N 1 2 353.397 3.396 20 70 FGIDLO CC[N@H+](CCCNC(=O)Nc1ccn(CC(F)(F)F)n1)c1ccccc1 ZINC000160307962 495931597 /nfs/dbraw/zinc/93/15/97/495931597.db2.gz MVMVNQVUJKOKHS-UHFFFAOYSA-N 1 2 369.391 3.484 20 70 FGIDLO CC[N@@H+](CCCNC(=O)Nc1ccn(CC(F)(F)F)n1)c1ccccc1 ZINC000160307962 495931603 /nfs/dbraw/zinc/93/16/03/495931603.db2.gz MVMVNQVUJKOKHS-UHFFFAOYSA-N 1 2 369.391 3.484 20 70 FGIDLO CCC(CC)c1cc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)on1 ZINC000160396339 495952982 /nfs/dbraw/zinc/95/29/82/495952982.db2.gz MIJDIFGWHZETCY-UHFFFAOYSA-N 1 2 371.485 3.001 20 70 FGIDLO C[C@@H](CNC(=O)N1CC[NH+](Cc2ccccn2)CC1)Sc1ccccc1 ZINC000160447153 495965112 /nfs/dbraw/zinc/96/51/12/495965112.db2.gz KLYWVCGNNAOLKJ-KRWDZBQOSA-N 1 2 370.522 3.090 20 70 FGIDLO COc1ccc(S(=O)(=O)Nc2cccc3c2C[N@@H+](C(C)C)C3)cc1F ZINC000160774070 496039962 /nfs/dbraw/zinc/03/99/62/496039962.db2.gz LYKAFUSWPFSGGH-UHFFFAOYSA-N 1 2 364.442 3.359 20 70 FGIDLO COc1ccc(S(=O)(=O)Nc2cccc3c2C[N@H+](C(C)C)C3)cc1F ZINC000160774070 496039963 /nfs/dbraw/zinc/03/99/63/496039963.db2.gz LYKAFUSWPFSGGH-UHFFFAOYSA-N 1 2 364.442 3.359 20 70 FGIDLO CCOc1cc(C[N@H+](C)Cc2nc(CC)cc(=O)[nH]2)ccc1OC(F)F ZINC000160794875 496043391 /nfs/dbraw/zinc/04/33/91/496043391.db2.gz XSPFHVOFFKCICQ-UHFFFAOYSA-N 1 2 367.396 3.377 20 70 FGIDLO CCOc1cc(C[N@@H+](C)Cc2nc(CC)cc(=O)[nH]2)ccc1OC(F)F ZINC000160794875 496043393 /nfs/dbraw/zinc/04/33/93/496043393.db2.gz XSPFHVOFFKCICQ-UHFFFAOYSA-N 1 2 367.396 3.377 20 70 FGIDLO C[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160935710 496069982 /nfs/dbraw/zinc/06/99/82/496069982.db2.gz RIXHESXEECFPTR-INIZCTEOSA-N 1 2 357.885 3.258 20 70 FGIDLO OC[C@H]1CCCN(c2cc(N3CC=C(c4ccccc4F)CC3)nc[nH+]2)C1 ZINC000161047680 496092014 /nfs/dbraw/zinc/09/20/14/496092014.db2.gz HKKKDOOSYDVGHY-INIZCTEOSA-N 1 2 368.456 3.118 20 70 FGIDLO OC[C@H]1CCCN(c2cc(N3CC=C(c4ccccc4F)CC3)[nH+]cn2)C1 ZINC000161047680 496092022 /nfs/dbraw/zinc/09/20/22/496092022.db2.gz HKKKDOOSYDVGHY-INIZCTEOSA-N 1 2 368.456 3.118 20 70 FGIDLO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161114938 496106253 /nfs/dbraw/zinc/10/62/53/496106253.db2.gz QYLQUMWPCBTWQO-WCQYABFASA-N 1 2 352.265 3.500 20 70 FGIDLO CN(CCCc1cc(-c2ccccc2)no1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161116107 496107599 /nfs/dbraw/zinc/10/75/99/496107599.db2.gz BQZDORQODYVTEN-KRWDZBQOSA-N 1 2 364.449 3.192 20 70 FGIDLO FC(F)CN1CCC[N@H+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000161319853 496151497 /nfs/dbraw/zinc/15/14/97/496151497.db2.gz HGMWRJPWNJFOTC-UHFFFAOYSA-N 1 2 373.245 3.098 20 70 FGIDLO FC(F)CN1CCC[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000161319853 496151506 /nfs/dbraw/zinc/15/15/06/496151506.db2.gz HGMWRJPWNJFOTC-UHFFFAOYSA-N 1 2 373.245 3.098 20 70 FGIDLO Cc1ccc(-c2nnc(C[NH+]3CCC([C@H](O)C(F)(F)F)CC3)o2)cc1 ZINC000161356639 496158716 /nfs/dbraw/zinc/15/87/16/496158716.db2.gz VMHGUWXRQQJILG-HNNXBMFYSA-N 1 2 355.360 3.180 20 70 FGIDLO COc1ccccc1[C@@H](NC(=O)NC[C@@]1(C)CCCS1)c1[nH+]ccn1C ZINC000159518018 495749689 /nfs/dbraw/zinc/74/96/89/495749689.db2.gz ZYKYRHHWMBWIFX-VQIMIIECSA-N 1 2 374.510 3.103 20 70 FGIDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H](C)Cc2ccc(O)cc2)CC1 ZINC000159579380 495762980 /nfs/dbraw/zinc/76/29/80/495762980.db2.gz ULPDSSCHFBFZTR-JKSUJKDBSA-N 1 2 373.522 3.473 20 70 FGIDLO CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1ccc(C(=O)NC)cc1 ZINC000159652455 495778292 /nfs/dbraw/zinc/77/82/92/495778292.db2.gz KPDJKLDENDPBEI-LJQANCHMSA-N 1 2 354.450 3.173 20 70 FGIDLO CC[C@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1ccc(C(=O)NC)cc1 ZINC000159652455 495778297 /nfs/dbraw/zinc/77/82/97/495778297.db2.gz KPDJKLDENDPBEI-LJQANCHMSA-N 1 2 354.450 3.173 20 70 FGIDLO C[C@H]1CC(NC(=O)NCc2[nH+]ccn2CCCc2ccccc2)C[C@H](C)O1 ZINC000159697989 495789798 /nfs/dbraw/zinc/78/97/98/495789798.db2.gz KYSBKJKIIHHQNP-IRXDYDNUSA-N 1 2 370.497 3.271 20 70 FGIDLO Cc1cccc([C@H]2CCCN2C(=O)NCCc2cn3c([nH+]2)CCCC3)n1 ZINC000159784659 495808397 /nfs/dbraw/zinc/80/83/97/495808397.db2.gz VHXISLFHIJCKOQ-GOSISDBHSA-N 1 2 353.470 3.012 20 70 FGIDLO COC[C@H](NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)c1ccco1 ZINC000159792207 495810036 /nfs/dbraw/zinc/81/00/36/495810036.db2.gz ARRDXXIEHYXECW-ZBFHGGJFSA-N 1 2 363.483 3.117 20 70 FGIDLO O=C(CCc1cc2ccccc2[nH]c1=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000159801857 495812391 /nfs/dbraw/zinc/81/23/91/495812391.db2.gz MQMWAQRDEAOWFP-UHFFFAOYSA-N 1 2 358.401 3.285 20 70 FGIDLO CN(C)c1cccc(C[N@H+](C)Cc2nc3ccc(Cl)cc3c(=O)[nH]2)c1 ZINC000159804359 495813685 /nfs/dbraw/zinc/81/36/85/495813685.db2.gz KXLHTYZEFBJWKQ-UHFFFAOYSA-N 1 2 356.857 3.275 20 70 FGIDLO CN(C)c1cccc(C[N@@H+](C)Cc2nc3ccc(Cl)cc3c(=O)[nH]2)c1 ZINC000159804359 495813688 /nfs/dbraw/zinc/81/36/88/495813688.db2.gz KXLHTYZEFBJWKQ-UHFFFAOYSA-N 1 2 356.857 3.275 20 70 FGIDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CCO[C@@H](c2ccsc2)C1 ZINC000160065652 495875808 /nfs/dbraw/zinc/87/58/08/495875808.db2.gz ZHJUARBXSKLLNR-QGZVFWFLSA-N 1 2 372.494 3.026 20 70 FGIDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160307185 495931789 /nfs/dbraw/zinc/93/17/89/495931789.db2.gz IHEUFTNQLJIOPS-MOPGFXCFSA-N 1 2 368.481 3.030 20 70 FGIDLO Fc1cccc(F)c1-c1csc(C[N@@H+]2CCOC3(CCOCC3)C2)n1 ZINC000160312513 495932521 /nfs/dbraw/zinc/93/25/21/495932521.db2.gz CVGYWSPLGPYOJW-UHFFFAOYSA-N 1 2 366.433 3.470 20 70 FGIDLO Fc1cccc(F)c1-c1csc(C[N@H+]2CCOC3(CCOCC3)C2)n1 ZINC000160312513 495932527 /nfs/dbraw/zinc/93/25/27/495932527.db2.gz CVGYWSPLGPYOJW-UHFFFAOYSA-N 1 2 366.433 3.470 20 70 FGIDLO Cc1cccc2nc(C[NH2+][C@@H](C)c3ccc(S(C)(=O)=O)c(F)c3)cn21 ZINC000160317252 495933294 /nfs/dbraw/zinc/93/32/94/495933294.db2.gz GMQDOFWTZDIQIM-ZDUSSCGKSA-N 1 2 361.442 3.036 20 70 FGIDLO C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(OCC(F)(F)F)cc1 ZINC000160478916 495972899 /nfs/dbraw/zinc/97/28/99/495972899.db2.gz YBKTZYQTDUXSSR-OCCSQVGLSA-N 1 2 367.371 3.264 20 70 FGIDLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCCS(=O)(=O)C(C)C)c1 ZINC000160576990 495996023 /nfs/dbraw/zinc/99/60/23/495996023.db2.gz MWAISWGLJKXVEC-KRWDZBQOSA-N 1 2 355.500 3.054 20 70 FGIDLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CCCS(=O)(=O)C(C)C)c1 ZINC000160576990 495996028 /nfs/dbraw/zinc/99/60/28/495996028.db2.gz MWAISWGLJKXVEC-KRWDZBQOSA-N 1 2 355.500 3.054 20 70 FGIDLO C[C@@H](Cc1ccccc1F)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000160688741 496020494 /nfs/dbraw/zinc/02/04/94/496020494.db2.gz CIAWVGOAUVCLKZ-IRXDYDNUSA-N 1 2 355.457 3.305 20 70 FGIDLO CC(C)CCn1ccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)n1 ZINC000160776256 496039957 /nfs/dbraw/zinc/03/99/57/496039957.db2.gz OKKGLGRORFBKPX-UHFFFAOYSA-N 1 2 352.442 3.437 20 70 FGIDLO COc1ccc(C)cc1C1(C[NH2+][C@@H](C)C(=O)OC(C)(C)C)CCOCC1 ZINC000160818241 496047399 /nfs/dbraw/zinc/04/73/99/496047399.db2.gz FPRVPZSSJAMGRC-INIZCTEOSA-N 1 2 363.498 3.372 20 70 FGIDLO C[C@H](CC(=O)c1cccs1)NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000160945430 496072815 /nfs/dbraw/zinc/07/28/15/496072815.db2.gz INWMKXDZGBSSGK-CABCVRRESA-N 1 2 356.491 3.272 20 70 FGIDLO C[C@H](CC(=O)c1cccs1)NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000160945430 496072821 /nfs/dbraw/zinc/07/28/21/496072821.db2.gz INWMKXDZGBSSGK-CABCVRRESA-N 1 2 356.491 3.272 20 70 FGIDLO CCO[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(N(CC)CC)[nH+]c2)C12CCC2 ZINC000160956214 496074357 /nfs/dbraw/zinc/07/43/57/496074357.db2.gz GCJPTXXZEDPDHQ-QZTJIDSGSA-N 1 2 374.529 3.417 20 70 FGIDLO O=C(Nc1ccc(OC(F)F)c(F)c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161021511 496086846 /nfs/dbraw/zinc/08/68/46/496086846.db2.gz KAQZNTOLLHKFIR-GFCCVEGCSA-N 1 2 366.343 3.223 20 70 FGIDLO CCOCCC1(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCC1 ZINC000161050884 496093432 /nfs/dbraw/zinc/09/34/32/496093432.db2.gz IVZMGVAYZUGGHZ-UHFFFAOYSA-N 1 2 374.529 3.468 20 70 FGIDLO O=C(Nc1ncccc1OCC1CCCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161080924 496099012 /nfs/dbraw/zinc/09/90/12/496099012.db2.gz RWMLVYBLEAXREP-MRXNPFEDSA-N 1 2 354.454 3.438 20 70 FGIDLO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC1CCCCC1 ZINC000161105011 496103319 /nfs/dbraw/zinc/10/33/19/496103319.db2.gz QNLIKKMGAVLMHP-IRXDYDNUSA-N 1 2 370.415 3.262 20 70 FGIDLO O=C(C[N@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC1CCCCC1 ZINC000161105011 496103323 /nfs/dbraw/zinc/10/33/23/496103323.db2.gz QNLIKKMGAVLMHP-IRXDYDNUSA-N 1 2 370.415 3.262 20 70 FGIDLO CCC[N@H+](Cc1cc(C)c(C)cc1OC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000161112906 496106741 /nfs/dbraw/zinc/10/67/41/496106741.db2.gz KWBZDIBKSOREHG-HNNXBMFYSA-N 1 2 361.454 3.304 20 70 FGIDLO CCC[N@@H+](Cc1cc(C)c(C)cc1OC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000161112906 496106745 /nfs/dbraw/zinc/10/67/45/496106745.db2.gz KWBZDIBKSOREHG-HNNXBMFYSA-N 1 2 361.454 3.304 20 70 FGIDLO O=C(Nc1cccc(OCc2cscn2)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161119186 496107514 /nfs/dbraw/zinc/10/75/14/496107514.db2.gz QZMZUPKTIABPCI-CYBMUJFWSA-N 1 2 354.435 3.120 20 70 FGIDLO Cc1cc2oc(=O)cc(CN3CC[NH+](Cc4ccncc4)CC3)c2cc1C ZINC000161190262 496123827 /nfs/dbraw/zinc/12/38/27/496123827.db2.gz CKLFBBVFNOZJJY-UHFFFAOYSA-N 1 2 363.461 3.123 20 70 FGIDLO Cc1cc2oc(=O)cc(C[NH+]3CCN(Cc4ccncc4)CC3)c2cc1C ZINC000161190262 496123830 /nfs/dbraw/zinc/12/38/30/496123830.db2.gz CKLFBBVFNOZJJY-UHFFFAOYSA-N 1 2 363.461 3.123 20 70 FGIDLO Cc1cc(C)c(NC(=O)CN2CC[NH+](Cc3ccncc3)CC2)c(Cl)c1 ZINC000161207359 496127058 /nfs/dbraw/zinc/12/70/58/496127058.db2.gz UVEPANYGRDWALP-UHFFFAOYSA-N 1 2 372.900 3.108 20 70 FGIDLO O=C(Nc1ccnn1[C@H]1CCCc2ccccc21)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161216689 496129729 /nfs/dbraw/zinc/12/97/29/496129729.db2.gz HMEXHFMCQJNYOG-AEFFLSMTSA-N 1 2 361.449 3.206 20 70 FGIDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(C)[C@@H]2CCSC2)C[C@H](C)O1 ZINC000161259952 496139527 /nfs/dbraw/zinc/13/95/27/496139527.db2.gz GIHBBUYPXRDJLO-HLLBOEOZSA-N 1 2 363.527 3.265 20 70 FGIDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(C)[C@@H]2CCSC2)C[C@H](C)O1 ZINC000161259952 496139532 /nfs/dbraw/zinc/13/95/32/496139532.db2.gz GIHBBUYPXRDJLO-HLLBOEOZSA-N 1 2 363.527 3.265 20 70 FGIDLO O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161264718 496140830 /nfs/dbraw/zinc/14/08/30/496140830.db2.gz YSARVKYJAUFSSG-ZDUSSCGKSA-N 1 2 363.383 3.312 20 70 FGIDLO Cn1ncc2c1nc[nH+]c2N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000161334457 496153519 /nfs/dbraw/zinc/15/35/19/496153519.db2.gz FKUGGGWHTWITLL-SFHVURJKSA-N 1 2 372.432 3.025 20 70 FGIDLO CC(C)(C)c1ncc(/C=C/C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000161360401 496159981 /nfs/dbraw/zinc/15/99/81/496159981.db2.gz VQVROKUQQRZRQA-NPQIQWPPSA-N 1 2 356.495 3.244 20 70 FGIDLO COc1ccc2oc([C@@H](C)NC(=O)[C@H]3CCn4cc[nH+]c4C3)c(C)c2c1 ZINC000161463822 496181906 /nfs/dbraw/zinc/18/19/06/496181906.db2.gz RTADMWKAKLAIMB-KGLIPLIRSA-N 1 2 353.422 3.386 20 70 FGIDLO Cn1ncc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c1C(F)(F)F ZINC000159460770 495736800 /nfs/dbraw/zinc/73/68/00/495736800.db2.gz JDZMWALZZFCSKC-QGZVFWFLSA-N 1 2 351.372 3.113 20 70 FGIDLO Cn1ncc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)c1C(F)(F)F ZINC000159460770 495736802 /nfs/dbraw/zinc/73/68/02/495736802.db2.gz JDZMWALZZFCSKC-QGZVFWFLSA-N 1 2 351.372 3.113 20 70 FGIDLO COc1ccccc1[C@@H](NC(=O)N1CCC2(CCC2)C1)c1[nH+]ccn1C ZINC000159515548 495749771 /nfs/dbraw/zinc/74/97/71/495749771.db2.gz QWCAJFXLINMMIE-QGZVFWFLSA-N 1 2 354.454 3.104 20 70 FGIDLO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2nccn2CC)CC1 ZINC000159535440 495754867 /nfs/dbraw/zinc/75/48/67/495754867.db2.gz YHVFIZUJXLKTQW-UHFFFAOYSA-N 1 2 360.527 3.481 20 70 FGIDLO O=C(Nc1ccc(Br)cc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159711169 495792348 /nfs/dbraw/zinc/79/23/48/495792348.db2.gz LVQZYQIUFOSCAZ-CQSZACIVSA-N 1 2 361.243 3.245 20 70 FGIDLO CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000159754925 495801395 /nfs/dbraw/zinc/80/13/95/495801395.db2.gz VYSICRQMIOZWRK-QZTJIDSGSA-N 1 2 362.518 3.321 20 70 FGIDLO O=C(CCc1ccc(F)cc1F)Nc1ccccc1C[NH+]1CCOCC1 ZINC000159766906 495804833 /nfs/dbraw/zinc/80/48/33/495804833.db2.gz OGEOTXDSUHBFKM-UHFFFAOYSA-N 1 2 360.404 3.368 20 70 FGIDLO Cc1cc(C)c(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)c(C)c1 ZINC000159809049 495814717 /nfs/dbraw/zinc/81/47/17/495814717.db2.gz OMPFAHBNYPUYBZ-UHFFFAOYSA-N 1 2 352.482 3.034 20 70 FGIDLO O=C(Nc1ccc(N2CCCCC2)cc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159868093 495827511 /nfs/dbraw/zinc/82/75/11/495827511.db2.gz PMGWMVIRLVHIEB-GOSISDBHSA-N 1 2 365.481 3.472 20 70 FGIDLO CC(C)[C@@H](SCC[NH+]1CCOCC1)C(=O)N1CCCc2ccccc21 ZINC000159867504 495828131 /nfs/dbraw/zinc/82/81/31/495828131.db2.gz SJTUNAKNKGSETC-LJQANCHMSA-N 1 2 362.539 3.056 20 70 FGIDLO Cc1cc(C(=O)N(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)oc1C ZINC000159956769 495849239 /nfs/dbraw/zinc/84/92/39/495849239.db2.gz CKTKOJOYUFEMMA-QGZVFWFLSA-N 1 2 356.466 3.260 20 70 FGIDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000160029612 495867640 /nfs/dbraw/zinc/86/76/40/495867640.db2.gz BVGNFHDQIFZXJJ-HNNXBMFYSA-N 1 2 364.424 3.382 20 70 FGIDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc([S@@](C)=O)cc1 ZINC000160253295 495918651 /nfs/dbraw/zinc/91/86/51/495918651.db2.gz JILGMTUQFLPXPD-VWLOTQADSA-N 1 2 366.433 3.163 20 70 FGIDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc([S@@](C)=O)cc1 ZINC000160253295 495918654 /nfs/dbraw/zinc/91/86/54/495918654.db2.gz JILGMTUQFLPXPD-VWLOTQADSA-N 1 2 366.433 3.163 20 70 FGIDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)Nc1ccn(CC(F)(F)F)n1 ZINC000160303423 495930462 /nfs/dbraw/zinc/93/04/62/495930462.db2.gz OFHGAYNEPLFANG-UHFFFAOYSA-N 1 2 372.738 3.068 20 70 FGIDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1cnc2ccccn12 ZINC000160494181 495976578 /nfs/dbraw/zinc/97/65/78/495976578.db2.gz JBVFMWGSAVMMLK-SFHVURJKSA-N 1 2 364.449 3.254 20 70 FGIDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1cnc2ccccn12 ZINC000160494181 495976585 /nfs/dbraw/zinc/97/65/85/495976585.db2.gz JBVFMWGSAVMMLK-SFHVURJKSA-N 1 2 364.449 3.254 20 70 FGIDLO CC[N@H+](Cc1ccc(-c2ccc(F)cc2C)o1)[C@H]1CCS(=O)(=O)C1 ZINC000160559148 495991393 /nfs/dbraw/zinc/99/13/93/495991393.db2.gz QWDWWKHGFIHRDF-HNNXBMFYSA-N 1 2 351.443 3.403 20 70 FGIDLO CC[N@@H+](Cc1ccc(-c2ccc(F)cc2C)o1)[C@H]1CCS(=O)(=O)C1 ZINC000160559148 495991397 /nfs/dbraw/zinc/99/13/97/495991397.db2.gz QWDWWKHGFIHRDF-HNNXBMFYSA-N 1 2 351.443 3.403 20 70 FGIDLO CCn1ncc2ccc(NC(=O)N[C@@H]3CCCN(c4cccc[nH+]4)C3)cc21 ZINC000160566955 495993875 /nfs/dbraw/zinc/99/38/75/495993875.db2.gz DBIWKRUQKRCJHU-QGZVFWFLSA-N 1 2 364.453 3.242 20 70 FGIDLO Cc1cc(C(=O)N(C)CCCn2cc[nH+]c2)c(C)cc1Br ZINC000160615782 496003509 /nfs/dbraw/zinc/00/35/09/496003509.db2.gz XQWQRTRXUSQZLS-UHFFFAOYSA-N 1 2 350.260 3.425 20 70 FGIDLO CCN(CC)c1ccc(CNC(=O)c2c(Cl)n(C)nc2C(C)C)c[nH+]1 ZINC000160752250 496034657 /nfs/dbraw/zinc/03/46/57/496034657.db2.gz LHMFRIJSZXVZEB-UHFFFAOYSA-N 1 2 363.893 3.368 20 70 FGIDLO Cc1[nH+]c2ccccn2c1CN(C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000160914758 496066696 /nfs/dbraw/zinc/06/66/96/496066696.db2.gz XUQNLBDLSQQFIB-HNNXBMFYSA-N 1 2 357.458 3.391 20 70 FGIDLO CCc1nc(-c2ccccc2NC(=O)c2cccc(-n3cc[nH+]c3)c2)n[nH]1 ZINC000160930064 496069132 /nfs/dbraw/zinc/06/91/32/496069132.db2.gz PLZWBFCYUDXSIH-UHFFFAOYSA-N 1 2 358.405 3.472 20 70 FGIDLO CCC[N@H+](Cc1ccc(C)cc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000161101659 496104318 /nfs/dbraw/zinc/10/43/18/496104318.db2.gz MUERGUSBWWFHFI-CQSZACIVSA-N 1 2 360.317 3.157 20 70 FGIDLO CCC[N@@H+](Cc1ccc(C)cc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000161101659 496104322 /nfs/dbraw/zinc/10/43/22/496104322.db2.gz MUERGUSBWWFHFI-CQSZACIVSA-N 1 2 360.317 3.157 20 70 FGIDLO Cn1cc[nH+]c1-c1cccc(NC(=O)CCc2cc3ccccc3[nH]c2=O)c1 ZINC000161107113 496104861 /nfs/dbraw/zinc/10/48/61/496104861.db2.gz SHGYIYAULLXYIO-UHFFFAOYSA-N 1 2 372.428 3.500 20 70 FGIDLO CCC[N@H+](Cc1ccc(F)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000161121638 496109235 /nfs/dbraw/zinc/10/92/35/496109235.db2.gz BANYUJRQSYTIAS-ZDUSSCGKSA-N 1 2 353.381 3.244 20 70 FGIDLO CCC[N@@H+](Cc1ccc(F)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000161121638 496109237 /nfs/dbraw/zinc/10/92/37/496109237.db2.gz BANYUJRQSYTIAS-ZDUSSCGKSA-N 1 2 353.381 3.244 20 70 FGIDLO CCCCN(C)c1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000161230771 496132444 /nfs/dbraw/zinc/13/24/44/496132444.db2.gz MGCKTWDVJGCODA-SFHVURJKSA-N 1 2 352.482 3.327 20 70 FGIDLO Cc1cccc(C(C)C)c1NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161237251 496134387 /nfs/dbraw/zinc/13/43/87/496134387.db2.gz WYTQBAWYCGDRRL-UHFFFAOYSA-N 1 2 366.509 3.270 20 70 FGIDLO C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000161250289 496137387 /nfs/dbraw/zinc/13/73/87/496137387.db2.gz FVGAJGURRRJXPF-CQSZACIVSA-N 1 2 351.381 3.403 20 70 FGIDLO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161282391 496144401 /nfs/dbraw/zinc/14/44/01/496144401.db2.gz CEGGDZPABWHDMB-CZUORRHYSA-N 1 2 358.404 3.266 20 70 FGIDLO O=C(N[C@@H]1CCc2c1cccc2Br)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161307848 496149109 /nfs/dbraw/zinc/14/91/09/496149109.db2.gz ROILSQCGRZCWAO-IAQYHMDHSA-N 1 2 360.255 3.012 20 70 FGIDLO Cc1nc(CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)c(C)s1 ZINC000161336094 496155067 /nfs/dbraw/zinc/15/50/67/496155067.db2.gz QISGJFGADDJWDV-UHFFFAOYSA-N 1 2 356.451 3.217 20 70 FGIDLO CC(C)C(=O)NCC[N@H+](C)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000161354949 496158893 /nfs/dbraw/zinc/15/88/93/496158893.db2.gz KGLDXZPTHCTAFJ-UHFFFAOYSA-N 1 2 353.438 3.292 20 70 FGIDLO CC(C)C(=O)NCC[N@@H+](C)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000161354949 496158901 /nfs/dbraw/zinc/15/89/01/496158901.db2.gz KGLDXZPTHCTAFJ-UHFFFAOYSA-N 1 2 353.438 3.292 20 70 FGIDLO COc1ccccc1[C@H](NC(=O)NC[C@@]1(C)CCCS1)c1[nH+]ccn1C ZINC000159517752 495750489 /nfs/dbraw/zinc/75/04/89/495750489.db2.gz ZYKYRHHWMBWIFX-QFBILLFUSA-N 1 2 374.510 3.103 20 70 FGIDLO CC(C)(CNC(=O)c1cncc(-c2ccc(Cl)cc2)c1)[NH+]1CCOCC1 ZINC000159535637 495755345 /nfs/dbraw/zinc/75/53/45/495755345.db2.gz ZZMDCAVFRZVNLJ-UHFFFAOYSA-N 1 2 373.884 3.243 20 70 FGIDLO CCCCn1ncc(NC(=O)NCCn2c(C)[nH+]c3ccccc32)c1C ZINC000159748458 495799977 /nfs/dbraw/zinc/79/99/77/495799977.db2.gz RLBFNQQIPJYFDB-UHFFFAOYSA-N 1 2 354.458 3.471 20 70 FGIDLO CCc1cccc(CC)c1NC(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000159782258 495809063 /nfs/dbraw/zinc/80/90/63/495809063.db2.gz CGIOXBYTJZHRGH-OAHLLOKOSA-N 1 2 350.528 3.204 20 70 FGIDLO COC[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccco1 ZINC000159792071 495810111 /nfs/dbraw/zinc/81/01/11/495810111.db2.gz ARRDXXIEHYXECW-HOCLYGCPSA-N 1 2 363.483 3.117 20 70 FGIDLO Cc1c[nH]c(=O)n1-c1ccc([C@@H](C)[NH2+][C@H](C)c2nc(C(C)C)no2)cc1 ZINC000159862916 495826106 /nfs/dbraw/zinc/82/61/06/495826106.db2.gz HPLJWSXEIQCQGO-ZIAGYGMSSA-N 1 2 355.442 3.392 20 70 FGIDLO CN(C)c1cccc(C[N@H+](C)Cc2nc(COc3ccc(F)cc3)no2)c1 ZINC000159882893 495831529 /nfs/dbraw/zinc/83/15/29/495831529.db2.gz RASBFKXNSNKVGV-UHFFFAOYSA-N 1 2 370.428 3.486 20 70 FGIDLO CN(C)c1cccc(C[N@@H+](C)Cc2nc(COc3ccc(F)cc3)no2)c1 ZINC000159882893 495831536 /nfs/dbraw/zinc/83/15/36/495831536.db2.gz RASBFKXNSNKVGV-UHFFFAOYSA-N 1 2 370.428 3.486 20 70 FGIDLO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC(n2cncn2)CC1 ZINC000159911396 495838636 /nfs/dbraw/zinc/83/86/36/495838636.db2.gz JIMKXRXFFVRCOY-ZDUSSCGKSA-N 1 2 372.860 3.303 20 70 FGIDLO Cc1ccsc1CCCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000159947767 495848085 /nfs/dbraw/zinc/84/80/85/495848085.db2.gz VECOZIWSDQOMIL-LJQANCHMSA-N 1 2 372.534 3.396 20 70 FGIDLO Cc1ccsc1CCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000159947767 495848092 /nfs/dbraw/zinc/84/80/92/495848092.db2.gz VECOZIWSDQOMIL-LJQANCHMSA-N 1 2 372.534 3.396 20 70 FGIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)Nc1ccccc1C(F)(F)F ZINC000159962839 495851168 /nfs/dbraw/zinc/85/11/68/495851168.db2.gz YSGHRKDYPOCLFB-LBPRGKRZSA-N 1 2 362.417 3.098 20 70 FGIDLO CC(C)Cn1ncc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C1CC1 ZINC000159995795 495859743 /nfs/dbraw/zinc/85/97/43/495859743.db2.gz XRFFIRZTWPDPLO-YJBOKZPZSA-N 1 2 355.486 3.336 20 70 FGIDLO CC(C)[C@H](SCC[NH+]1CCOCC1)C(=O)Nc1ccccc1Cl ZINC000160022256 495865418 /nfs/dbraw/zinc/86/54/18/495865418.db2.gz HGSLZINSHMYYHV-INIZCTEOSA-N 1 2 356.919 3.369 20 70 FGIDLO COC(=O)[C@H](SCC[NH+]1CCOCC1)c1ccc(Cl)cc1Cl ZINC000160035756 495868317 /nfs/dbraw/zinc/86/83/17/495868317.db2.gz UMQJVATVVNAFQZ-CQSZACIVSA-N 1 2 364.294 3.273 20 70 FGIDLO COc1ccc([C@H](NC(=O)N2CC[C@H](C)[C@@H](C)C2)c2[nH+]ccn2C)cc1 ZINC000160053942 495873976 /nfs/dbraw/zinc/87/39/76/495873976.db2.gz OOHSNUNMSNWEQB-MPGHIAIKSA-N 1 2 356.470 3.206 20 70 FGIDLO CCCCn1ncc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)c1C ZINC000160121686 495889303 /nfs/dbraw/zinc/88/93/03/495889303.db2.gz PUHLRRRRYRRPTK-UHFFFAOYSA-N 1 2 361.515 3.403 20 70 FGIDLO O=C(N[C@H]1CCOC2(CCCC2)C1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000160229061 495914360 /nfs/dbraw/zinc/91/43/60/495914360.db2.gz FVYHMLMZRXXJLU-RBUKOAKNSA-N 1 2 374.550 3.385 20 70 FGIDLO CCOC(=O)[C@H]1CCC[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000160279110 495925848 /nfs/dbraw/zinc/92/58/48/495925848.db2.gz POMXZVXFNVFDHK-NSHDSACASA-N 1 2 366.259 3.101 20 70 FGIDLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000160279110 495925850 /nfs/dbraw/zinc/92/58/50/495925850.db2.gz POMXZVXFNVFDHK-NSHDSACASA-N 1 2 366.259 3.101 20 70 FGIDLO CCOC(=O)[C@H]1CCC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000160279110 495925852 /nfs/dbraw/zinc/92/58/52/495925852.db2.gz POMXZVXFNVFDHK-NSHDSACASA-N 1 2 366.259 3.101 20 70 FGIDLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000160279110 495925854 /nfs/dbraw/zinc/92/58/54/495925854.db2.gz POMXZVXFNVFDHK-NSHDSACASA-N 1 2 366.259 3.101 20 70 FGIDLO CC[C@]1(C)C[C@@H]1C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000160285777 495927130 /nfs/dbraw/zinc/92/71/30/495927130.db2.gz OEYZLBOWHCFMGV-FUHIMQAGSA-N 1 2 357.454 3.079 20 70 FGIDLO CCC(CC)[C@H](C(=O)N[C@@H]1CCOC2(CCCCC2)C1)[NH+]1CCOCC1 ZINC000160543588 495987756 /nfs/dbraw/zinc/98/77/56/495987756.db2.gz RSTKWDIXNLNPQQ-RTBURBONSA-N 1 2 366.546 3.122 20 70 FGIDLO Cc1ccc(-c2nnc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)s2)c(C)c1 ZINC000160594265 495999492 /nfs/dbraw/zinc/99/94/92/495999492.db2.gz WVYBVFQHHLWOBU-ZDUSSCGKSA-N 1 2 353.451 3.220 20 70 FGIDLO O=C(NCc1ccc(Br)cc1Cl)[C@H]1CCn2cc[nH+]c2C1 ZINC000160755966 496035808 /nfs/dbraw/zinc/03/58/08/496035808.db2.gz QJYYHPNMUVGNNH-JTQLQIEISA-N 1 2 368.662 3.178 20 70 FGIDLO CCc1cccc(CC(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)c1 ZINC000161041563 496091637 /nfs/dbraw/zinc/09/16/37/496091637.db2.gz PLGDFUNFVKJAOB-UHFFFAOYSA-N 1 2 351.494 3.178 20 70 FGIDLO O=C(Nc1ccc(N2CCCC2)c(F)c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161098581 496102548 /nfs/dbraw/zinc/10/25/48/496102548.db2.gz ULQPMFXNTUBXLX-MRXNPFEDSA-N 1 2 369.444 3.221 20 70 FGIDLO C[C@@H](C(=O)Nc1cccc2ccccc21)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161179185 496121645 /nfs/dbraw/zinc/12/16/45/496121645.db2.gz ZBDYRAPDLRZCOK-SFHVURJKSA-N 1 2 374.488 3.380 20 70 FGIDLO O=C(COc1ccc(Cl)c(Cl)c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161200902 496125858 /nfs/dbraw/zinc/12/58/58/496125858.db2.gz BYLYEPGREVDXHH-GFCCVEGCSA-N 1 2 366.248 3.162 20 70 FGIDLO CCCCN(C)c1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000161230640 496132485 /nfs/dbraw/zinc/13/24/85/496132485.db2.gz MGCKTWDVJGCODA-GOSISDBHSA-N 1 2 352.482 3.327 20 70 FGIDLO Cc1ccc(-c2cncc(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)c2)cc1 ZINC000161362861 496159546 /nfs/dbraw/zinc/15/95/46/496159546.db2.gz YUDNCBKXODAAFF-FQEVSTJZSA-N 1 2 358.445 3.461 20 70 FGIDLO O=C(C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)NCCCC1CCCCC1 ZINC000161448010 496178460 /nfs/dbraw/zinc/17/84/60/496178460.db2.gz NRBHWNYKSAQKCV-QGZVFWFLSA-N 1 2 364.452 3.098 20 70 FGIDLO C[C@H](c1ccccc1Br)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000159437538 495733288 /nfs/dbraw/zinc/73/32/88/495733288.db2.gz ZRDXRRVPWWNPIF-OLZOCXBDSA-N 1 2 362.271 3.428 20 70 FGIDLO O=C(NC1CC1)[C@@H](c1ccccc1)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159655499 495779961 /nfs/dbraw/zinc/77/99/61/495779961.db2.gz YEUKWWXUBGWZAC-FYYLOGMGSA-N 1 2 362.473 3.180 20 70 FGIDLO O=C(NC1CC1)[C@@H](c1ccccc1)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159655499 495779970 /nfs/dbraw/zinc/77/99/70/495779970.db2.gz YEUKWWXUBGWZAC-FYYLOGMGSA-N 1 2 362.473 3.180 20 70 FGIDLO Cc1ccsc1[C@H]1C[C@@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000159696491 495789590 /nfs/dbraw/zinc/78/95/90/495789590.db2.gz AAUQRWSWNUVRRV-OALUTQOASA-N 1 2 370.518 3.383 20 70 FGIDLO FC(F)(F)c1ccc(-c2noc(CSCC[NH+]3CCOCC3)n2)cc1 ZINC000159830802 495819238 /nfs/dbraw/zinc/81/92/38/495819238.db2.gz HRGZOVMHQQWWHE-UHFFFAOYSA-N 1 2 373.400 3.321 20 70 FGIDLO O=C(CSCC[NH+]1CCOCC1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000160026993 495865666 /nfs/dbraw/zinc/86/56/66/495865666.db2.gz QAHVYFLCIUBWPO-FQEVSTJZSA-N 1 2 362.539 3.100 20 70 FGIDLO O=C(CSCC[NH+]1CCOCC1)N(Cc1ccco1)C1=CCCCC1 ZINC000160048713 495872447 /nfs/dbraw/zinc/87/24/47/495872447.db2.gz CJBNXGRHCYUYRY-UHFFFAOYSA-N 1 2 364.511 3.132 20 70 FGIDLO O=C(CCSCCc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000160194832 495905963 /nfs/dbraw/zinc/90/59/63/495905963.db2.gz UTTFXTNDKDJMTC-UHFFFAOYSA-N 1 2 355.507 3.096 20 70 FGIDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000160454489 495966855 /nfs/dbraw/zinc/96/68/55/495966855.db2.gz VXKPCIBMUQSXFD-LBPRGKRZSA-N 1 2 368.264 3.068 20 70 FGIDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000160454489 495966859 /nfs/dbraw/zinc/96/68/59/495966859.db2.gz VXKPCIBMUQSXFD-LBPRGKRZSA-N 1 2 368.264 3.068 20 70 FGIDLO CC(C)Cn1ncc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1C1CC1 ZINC000160470752 495970389 /nfs/dbraw/zinc/97/03/89/495970389.db2.gz IUBOTIWGRIZCNR-MRXNPFEDSA-N 1 2 369.513 3.245 20 70 FGIDLO O=C(C[C@@H]1CSCCS1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000160515039 495980822 /nfs/dbraw/zinc/98/08/22/495980822.db2.gz BEYATICSHMUJGB-CYBMUJFWSA-N 1 2 357.570 3.306 20 70 FGIDLO COC(=O)Nc1ccc(CNC(=O)Cn2c[nH+]c3cc(C)c(C)cc32)cc1 ZINC000160624995 496006311 /nfs/dbraw/zinc/00/63/11/496006311.db2.gz RJIFWNHOEGFUPZ-UHFFFAOYSA-N 1 2 366.421 3.148 20 70 FGIDLO Cc1ccc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1F ZINC000160688510 496021214 /nfs/dbraw/zinc/02/12/14/496021214.db2.gz FOZAIJLRBLWGQD-MRXNPFEDSA-N 1 2 356.445 3.118 20 70 FGIDLO CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000160762102 496037060 /nfs/dbraw/zinc/03/70/60/496037060.db2.gz LVJXCQDZGZMDMD-UHFFFAOYSA-N 1 2 360.421 3.066 20 70 FGIDLO COc1ccc(C(C)(C)C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)cc1OC ZINC000160972692 496078043 /nfs/dbraw/zinc/07/80/43/496078043.db2.gz JXGSCIJNKNHACZ-UHFFFAOYSA-N 1 2 366.421 3.201 20 70 FGIDLO CCC(C)(C)NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161123138 496108493 /nfs/dbraw/zinc/10/84/93/496108493.db2.gz QEQMGGSVLQRWKA-HUUCEWRRSA-N 1 2 358.404 3.118 20 70 FGIDLO CCC(C)(C)NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161123138 496108498 /nfs/dbraw/zinc/10/84/98/496108498.db2.gz QEQMGGSVLQRWKA-HUUCEWRRSA-N 1 2 358.404 3.118 20 70 FGIDLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1C ZINC000161365892 496161583 /nfs/dbraw/zinc/16/15/83/496161583.db2.gz QOPJNUJCDWKXSC-BBRMVZONSA-N 1 2 358.404 3.266 20 70 FGIDLO O=C(Nc1ccccc1C[NH+]1CCOCC1)c1cc(F)cc2cccnc21 ZINC000161380814 496163711 /nfs/dbraw/zinc/16/37/11/496163711.db2.gz MOVMURYBGOBDEB-UHFFFAOYSA-N 1 2 365.408 3.458 20 70 FGIDLO CCN(C(=O)[C@H](C)[NH+]1CCC([C@H](O)C(F)(F)F)CC1)c1ccccc1 ZINC000161439578 496177350 /nfs/dbraw/zinc/17/73/50/496177350.db2.gz VMYXBOYNKVGVKP-BBRMVZONSA-N 1 2 358.404 3.063 20 70 FGIDLO O=C(Nc1ccc(F)cc1)NC1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC000217025474 496992953 /nfs/dbraw/zinc/99/29/53/496992953.db2.gz XMNANOMMJOUTQX-UHFFFAOYSA-N 1 2 372.444 3.479 20 70 FGIDLO Cc1cccc2[nH+]c(CNC(=O)NC[C@@H]3CCCO[C@H]3C(C)(C)C)cn21 ZINC000217233960 496995398 /nfs/dbraw/zinc/99/53/98/496995398.db2.gz KVMBSSSSOBAHCT-MAUKXSAKSA-N 1 2 358.486 3.283 20 70 FGIDLO CCC1(CC)[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[C@@H]1OC ZINC000159376549 495719985 /nfs/dbraw/zinc/71/99/85/495719985.db2.gz FYBPVVHMYIRFHD-IRXDYDNUSA-N 1 2 360.502 3.075 20 70 FGIDLO COC(=O)c1cc(C[N@H+](C)[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)oc1C ZINC000159402102 495724861 /nfs/dbraw/zinc/72/48/61/495724861.db2.gz WEDLTUMONKFPJB-KBPBESRZSA-N 1 2 370.449 3.173 20 70 FGIDLO COC(=O)c1cc(C[N@@H+](C)[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)oc1C ZINC000159402102 495724867 /nfs/dbraw/zinc/72/48/67/495724867.db2.gz WEDLTUMONKFPJB-KBPBESRZSA-N 1 2 370.449 3.173 20 70 FGIDLO CCOCCC1(CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CCC1 ZINC000159545083 495755836 /nfs/dbraw/zinc/75/58/36/495755836.db2.gz SERBZXJTMLYAGY-UHFFFAOYSA-N 1 2 360.502 3.078 20 70 FGIDLO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000159696350 495789383 /nfs/dbraw/zinc/78/93/83/495789383.db2.gz AAUQRWSWNUVRRV-MOPGFXCFSA-N 1 2 370.518 3.383 20 70 FGIDLO CN(CC1CCOCC1)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000159698268 495789458 /nfs/dbraw/zinc/78/94/58/495789458.db2.gz VIBZQUIWCVNLLJ-UHFFFAOYSA-N 1 2 370.497 3.084 20 70 FGIDLO CC(C)CCn1ccc(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)n1 ZINC000159726752 495796232 /nfs/dbraw/zinc/79/62/32/495796232.db2.gz PXFQUWNCRQAUBS-QGZVFWFLSA-N 1 2 370.501 3.235 20 70 FGIDLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(N(C)C)c2)cc1 ZINC000159793799 495810821 /nfs/dbraw/zinc/81/08/21/495810821.db2.gz ZSYBUBQVMBZAOE-HNNXBMFYSA-N 1 2 353.466 3.414 20 70 FGIDLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(N(C)C)c2)cc1 ZINC000159793799 495810827 /nfs/dbraw/zinc/81/08/27/495810827.db2.gz ZSYBUBQVMBZAOE-HNNXBMFYSA-N 1 2 353.466 3.414 20 70 FGIDLO CC(C)Cn1ncc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c1C1CC1 ZINC000159990198 495858394 /nfs/dbraw/zinc/85/83/94/495858394.db2.gz HKLPVZLHJBJMDM-KRWDZBQOSA-N 1 2 354.454 3.105 20 70 FGIDLO CCCOc1ccc([C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000160068457 495876827 /nfs/dbraw/zinc/87/68/27/495876827.db2.gz KDKHATGPLPFTST-GDBMZVCRSA-N 1 2 357.454 3.120 20 70 FGIDLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000160279963 495926448 /nfs/dbraw/zinc/92/64/48/495926448.db2.gz POMXZVXFNVFDHK-LLVKDONJSA-N 1 2 366.259 3.101 20 70 FGIDLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000160279963 495926453 /nfs/dbraw/zinc/92/64/53/495926453.db2.gz POMXZVXFNVFDHK-LLVKDONJSA-N 1 2 366.259 3.101 20 70 FGIDLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000160279963 495926460 /nfs/dbraw/zinc/92/64/60/495926460.db2.gz POMXZVXFNVFDHK-LLVKDONJSA-N 1 2 366.259 3.101 20 70 FGIDLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000160279963 495926464 /nfs/dbraw/zinc/92/64/64/495926464.db2.gz POMXZVXFNVFDHK-LLVKDONJSA-N 1 2 366.259 3.101 20 70 FGIDLO CC(C)c1nc(N2CC[C@@H](OCCCc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000160406206 495955929 /nfs/dbraw/zinc/95/59/29/495955929.db2.gz QKUJYZCFENZOSE-GOSISDBHSA-N 1 2 369.513 3.289 20 70 FGIDLO CC(C)c1nc(N(C)C)nc(N2CC[C@@H](OCCCc3ccccc3)C2)[nH+]1 ZINC000160406206 495955931 /nfs/dbraw/zinc/95/59/31/495955931.db2.gz QKUJYZCFENZOSE-GOSISDBHSA-N 1 2 369.513 3.289 20 70 FGIDLO O=C(NCc1ccccc1)c1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000160424098 495959049 /nfs/dbraw/zinc/95/90/49/495959049.db2.gz ASTFAIDHYGSTOP-SFHVURJKSA-N 1 2 374.444 3.014 20 70 FGIDLO CCOCC[N@H+](Cc1ccc(C(=O)OC)o1)Cc1c(C)nc2ccccn21 ZINC000160439582 495964512 /nfs/dbraw/zinc/96/45/12/495964512.db2.gz FFCWGCJJMMYBDO-UHFFFAOYSA-N 1 2 371.437 3.061 20 70 FGIDLO CCOCC[N@@H+](Cc1ccc(C(=O)OC)o1)Cc1c(C)nc2ccccn21 ZINC000160439582 495964519 /nfs/dbraw/zinc/96/45/19/495964519.db2.gz FFCWGCJJMMYBDO-UHFFFAOYSA-N 1 2 371.437 3.061 20 70 FGIDLO CC(C)S(=O)(=O)CCC[N@H+](C)Cc1ccc(Br)s1 ZINC000160552618 495990676 /nfs/dbraw/zinc/99/06/76/495990676.db2.gz DWKOSRAWWQXTBQ-UHFFFAOYSA-N 1 2 354.335 3.156 20 70 FGIDLO CC(C)S(=O)(=O)CCC[N@@H+](C)Cc1ccc(Br)s1 ZINC000160552618 495990680 /nfs/dbraw/zinc/99/06/80/495990680.db2.gz DWKOSRAWWQXTBQ-UHFFFAOYSA-N 1 2 354.335 3.156 20 70 FGIDLO COc1ccccc1[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1ccco1 ZINC000160566511 495993210 /nfs/dbraw/zinc/99/32/10/495993210.db2.gz DKBVHOIMSYHYEG-LJQANCHMSA-N 1 2 368.437 3.306 20 70 FGIDLO CC[N@H+](Cc1ccc(OC)c(OCCC(C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000160567051 495993598 /nfs/dbraw/zinc/99/35/98/495993598.db2.gz UVJUZCSJYYFVKJ-KRWDZBQOSA-N 1 2 369.527 3.129 20 70 FGIDLO CC[N@@H+](Cc1ccc(OC)c(OCCC(C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000160567051 495993603 /nfs/dbraw/zinc/99/36/03/495993603.db2.gz UVJUZCSJYYFVKJ-KRWDZBQOSA-N 1 2 369.527 3.129 20 70 FGIDLO C[C@H](Cc1ccccc1F)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000160689142 496021074 /nfs/dbraw/zinc/02/10/74/496021074.db2.gz CIAWVGOAUVCLKZ-IAGOWNOFSA-N 1 2 355.457 3.305 20 70 FGIDLO C[N@@H+]1CC[C@@H](NC(=O)NCCc2cccs2)[C@@H]1c1ccc(F)c(F)c1 ZINC000160703749 496023889 /nfs/dbraw/zinc/02/38/89/496023889.db2.gz VKHLCAGYILSNRA-SJORKVTESA-N 1 2 365.449 3.313 20 70 FGIDLO C[N@H+]1CC[C@@H](NC(=O)NCCc2cccs2)[C@@H]1c1ccc(F)c(F)c1 ZINC000160703749 496023894 /nfs/dbraw/zinc/02/38/94/496023894.db2.gz VKHLCAGYILSNRA-SJORKVTESA-N 1 2 365.449 3.313 20 70 FGIDLO Cc1c(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)cnn1CC(C)C ZINC000160802537 496045966 /nfs/dbraw/zinc/04/59/66/496045966.db2.gz QHTJLCCWJGNNRF-GOSISDBHSA-N 1 2 369.444 3.240 20 70 FGIDLO COC(=O)c1cc(C[N@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c[nH]1 ZINC000160904856 496064370 /nfs/dbraw/zinc/06/43/70/496064370.db2.gz OKNCLMJIXXFQPK-UHFFFAOYSA-N 1 2 370.236 3.179 20 70 FGIDLO COC(=O)c1cc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c[nH]1 ZINC000160904856 496064372 /nfs/dbraw/zinc/06/43/72/496064372.db2.gz OKNCLMJIXXFQPK-UHFFFAOYSA-N 1 2 370.236 3.179 20 70 FGIDLO Cc1[nH]nc(C(C)C)c1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000160937603 496071805 /nfs/dbraw/zinc/07/18/05/496071805.db2.gz QKVHBEMFEKUGLX-JXMROGBWSA-N 1 2 352.482 3.313 20 70 FGIDLO Cc1n[nH]c(C(C)C)c1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000160937603 496071810 /nfs/dbraw/zinc/07/18/10/496071810.db2.gz QKVHBEMFEKUGLX-JXMROGBWSA-N 1 2 352.482 3.313 20 70 FGIDLO C[C@H](C(=O)N[C@@H](C)CC(=O)c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000160945030 496072422 /nfs/dbraw/zinc/07/24/22/496072422.db2.gz INWMKXDZGBSSGK-LSDHHAIUSA-N 1 2 356.491 3.272 20 70 FGIDLO C[C@H](C(=O)N[C@@H](C)CC(=O)c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000160945030 496072430 /nfs/dbraw/zinc/07/24/30/496072430.db2.gz INWMKXDZGBSSGK-LSDHHAIUSA-N 1 2 356.491 3.272 20 70 FGIDLO CCC[N@H+](Cc1ccccc1OC1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000161078381 496099091 /nfs/dbraw/zinc/09/90/91/496099091.db2.gz FFVIIVSHPKBFKM-KRWDZBQOSA-N 1 2 351.512 3.407 20 70 FGIDLO CCC[N@@H+](Cc1ccccc1OC1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000161078381 496099097 /nfs/dbraw/zinc/09/90/97/496099097.db2.gz FFVIIVSHPKBFKM-KRWDZBQOSA-N 1 2 351.512 3.407 20 70 FGIDLO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NC1CCCCC1 ZINC000161105141 496103499 /nfs/dbraw/zinc/10/34/99/496103499.db2.gz QNLIKKMGAVLMHP-DLBZAZTESA-N 1 2 370.415 3.262 20 70 FGIDLO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NC1CCCCC1 ZINC000161105141 496103507 /nfs/dbraw/zinc/10/35/07/496103507.db2.gz QNLIKKMGAVLMHP-DLBZAZTESA-N 1 2 370.415 3.262 20 70 FGIDLO CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161123276 496109244 /nfs/dbraw/zinc/10/92/44/496109244.db2.gz QEQMGGSVLQRWKA-LSDHHAIUSA-N 1 2 358.404 3.118 20 70 FGIDLO CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161123276 496109248 /nfs/dbraw/zinc/10/92/48/496109248.db2.gz QEQMGGSVLQRWKA-LSDHHAIUSA-N 1 2 358.404 3.118 20 70 FGIDLO COc1cc(CCC(=O)N2CC[NH+](Cc3ccncc3)CC2)ccc1Cl ZINC000161144263 496114092 /nfs/dbraw/zinc/11/40/92/496114092.db2.gz GSHZANRQOCMUQM-UHFFFAOYSA-N 1 2 373.884 3.021 20 70 FGIDLO Cc1ccc2c(c1)[C@@H](NC(=O)N1CC[NH+](Cc3ccccn3)CC1)[C@H](C)C2 ZINC000161174641 496120596 /nfs/dbraw/zinc/12/05/96/496120596.db2.gz ZTGYXTKHSUCIIS-UTKZUKDTSA-N 1 2 364.493 3.151 20 70 FGIDLO CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1 ZINC000161239863 496136050 /nfs/dbraw/zinc/13/60/50/496136050.db2.gz KOAWVEBRHNWPQV-LRDDRELGSA-N 1 2 358.404 3.211 20 70 FGIDLO O=C(N[C@H]1CCc2c1cccc2Br)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161307725 496149173 /nfs/dbraw/zinc/14/91/73/496149173.db2.gz ROILSQCGRZCWAO-ABAIWWIYSA-N 1 2 360.255 3.012 20 70 FGIDLO CC[C@@H](c1nnc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)s1)c1ccccc1 ZINC000161478839 496184331 /nfs/dbraw/zinc/18/43/31/496184331.db2.gz PRRBWVUMMWQEQQ-LSDHHAIUSA-N 1 2 367.478 3.478 20 70 FGIDLO CCC1(CC)[C@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[C@@H]1OC ZINC000159376412 495719717 /nfs/dbraw/zinc/71/97/17/495719717.db2.gz FYBPVVHMYIRFHD-SJORKVTESA-N 1 2 360.502 3.075 20 70 FGIDLO O[C@@H](C[C@@H]1COCC[N@@H+]1Cc1ccc(OC(F)F)cc1)c1ccco1 ZINC000159532617 495753754 /nfs/dbraw/zinc/75/37/54/495753754.db2.gz FREUTPYXJXPQIV-ZBFHGGJFSA-N 1 2 353.365 3.206 20 70 FGIDLO O[C@@H](C[C@@H]1COCC[N@H+]1Cc1ccc(OC(F)F)cc1)c1ccco1 ZINC000159532617 495753760 /nfs/dbraw/zinc/75/37/60/495753760.db2.gz FREUTPYXJXPQIV-ZBFHGGJFSA-N 1 2 353.365 3.206 20 70 FGIDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CCc2c(F)cc(F)cc2C1 ZINC000159552016 495756679 /nfs/dbraw/zinc/75/66/79/495756679.db2.gz IYPPRRCBMITDHB-UHFFFAOYSA-N 1 2 372.419 3.228 20 70 FGIDLO CCCCn1ncc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1C ZINC000159716091 495792509 /nfs/dbraw/zinc/79/25/09/495792509.db2.gz BXDCCGIZFULYKC-UHFFFAOYSA-N 1 2 356.474 3.309 20 70 FGIDLO Cc1c[nH]c(=O)n1-c1ccc([C@H](C)[NH2+][C@H](C)c2nc(C3CC3)no2)cc1 ZINC000159877563 495830712 /nfs/dbraw/zinc/83/07/12/495830712.db2.gz ILTSTRBEDLKBHP-QWHCGFSZSA-N 1 2 353.426 3.146 20 70 FGIDLO C[C@H](c1cc2ccccc2o1)N(C)C(=O)CSCC[NH+]1CCOCC1 ZINC000159946489 495848296 /nfs/dbraw/zinc/84/82/96/495848296.db2.gz XCKRDTQNVRJCQS-OAHLLOKOSA-N 1 2 362.495 3.018 20 70 FGIDLO CC(C)(C)c1n[nH]cc1C[NH+]1CCN(C(=O)C(C)(C)c2ccccc2)CC1 ZINC000159957860 495851102 /nfs/dbraw/zinc/85/11/02/495851102.db2.gz IPZNCKTZCFIINH-UHFFFAOYSA-N 1 2 368.525 3.329 20 70 FGIDLO COc1ccccc1[C@H](NC(=O)N1CC[C@@H](C)[C@@H](C)C1)c1[nH+]ccn1C ZINC000160046999 495871204 /nfs/dbraw/zinc/87/12/04/495871204.db2.gz VMBRFAHCYZRWMA-VKJFTORMSA-N 1 2 356.470 3.206 20 70 FGIDLO Cc1cc(C)c(NC(=O)[C@@H](C)SCC[NH+]2CCOCC2)c(Cl)c1 ZINC000160054817 495873310 /nfs/dbraw/zinc/87/33/10/495873310.db2.gz ZUOVUPLXIFEEQN-CQSZACIVSA-N 1 2 356.919 3.349 20 70 FGIDLO O=C(N[C@H]1CCC[C@H]1c1ccccc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160162059 495899037 /nfs/dbraw/zinc/89/90/37/495899037.db2.gz ZQBQDUMAKIMGID-SFTDATJTSA-N 1 2 364.493 3.245 20 70 FGIDLO CCCCn1ncc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)c1C ZINC000160218540 495911235 /nfs/dbraw/zinc/91/12/35/495911235.db2.gz LGAFIVFTDIUMSR-UHFFFAOYSA-N 1 2 356.474 3.177 20 70 FGIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000160318538 495935124 /nfs/dbraw/zinc/93/51/24/495935124.db2.gz FFHOMSVYIZPGRL-GUYCJALGSA-N 1 2 369.456 3.072 20 70 FGIDLO COc1ccc([C@@H](NC(=O)/C=C/c2cncc(C)c2)c2[nH+]ccn2C)cc1 ZINC000160336779 495938808 /nfs/dbraw/zinc/93/88/08/495938808.db2.gz VABSKPBEUDBZTO-CWFIWJMMSA-N 1 2 362.433 3.051 20 70 FGIDLO COc1cccc(N2CC[NH+](Cc3c(OC)cc(OC)cc3OC)CC2)c1 ZINC000160691170 496022104 /nfs/dbraw/zinc/02/21/04/496022104.db2.gz TZXFCVXKSIMPAT-UHFFFAOYSA-N 1 2 372.465 3.043 20 70 FGIDLO CC(C)CSCCCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000160764669 496037836 /nfs/dbraw/zinc/03/78/36/496037836.db2.gz RXVCNOZCABMGNW-UHFFFAOYSA-N 1 2 350.528 3.028 20 70 FGIDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cccc2c1OCO2 ZINC000160893734 496062434 /nfs/dbraw/zinc/06/24/34/496062434.db2.gz AWIAGQZIOFEXQE-UHFFFAOYSA-N 1 2 356.422 3.275 20 70 FGIDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cccc2c1OCO2 ZINC000160893734 496062438 /nfs/dbraw/zinc/06/24/38/496062438.db2.gz AWIAGQZIOFEXQE-UHFFFAOYSA-N 1 2 356.422 3.275 20 70 FGIDLO C[C@@H]1CCN(C(=O)c2cccc(Nc3cnn(C)c3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000160967139 496076953 /nfs/dbraw/zinc/07/69/53/496076953.db2.gz AMSIQUQNUMIXEC-BEFAXECRSA-N 1 2 364.453 3.084 20 70 FGIDLO O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000160980294 496079220 /nfs/dbraw/zinc/07/92/20/496079220.db2.gz SGIBSJMEPLFXMK-KSZLIROESA-N 1 2 354.454 3.219 20 70 FGIDLO O=C(Cc1cccc(OC(F)(F)F)c1)NCCc1cn2c([nH+]1)CCCC2 ZINC000161107325 496105261 /nfs/dbraw/zinc/10/52/61/496105261.db2.gz XLBVYGMLTQAZQM-UHFFFAOYSA-N 1 2 367.371 3.019 20 70 FGIDLO O=C(COc1ccc(Cl)c(Cl)c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161200774 496126140 /nfs/dbraw/zinc/12/61/40/496126140.db2.gz BYLYEPGREVDXHH-LBPRGKRZSA-N 1 2 366.248 3.162 20 70 FGIDLO O=C(Nc1ccnn1[C@@H]1CCCc2ccccc21)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161216816 496129754 /nfs/dbraw/zinc/12/97/54/496129754.db2.gz HMEXHFMCQJNYOG-SJLPKXTDSA-N 1 2 361.449 3.206 20 70 FGIDLO CC(C)Oc1cncc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000161285258 496143938 /nfs/dbraw/zinc/14/39/38/496143938.db2.gz FRYUMJYSLFTAFW-UHFFFAOYSA-N 1 2 373.884 3.480 20 70 FGIDLO CCN(C(=O)[C@@H](C)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)c1ccccc1 ZINC000161439699 496177618 /nfs/dbraw/zinc/17/76/18/496177618.db2.gz VMYXBOYNKVGVKP-CZUORRHYSA-N 1 2 358.404 3.063 20 70 FGIDLO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000217666396 496999359 /nfs/dbraw/zinc/99/93/59/496999359.db2.gz NRTVKZUJWQQWGN-SFHVURJKSA-N 1 2 372.852 3.269 20 70 FGIDLO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000217666396 496999366 /nfs/dbraw/zinc/99/93/66/496999366.db2.gz NRTVKZUJWQQWGN-SFHVURJKSA-N 1 2 372.852 3.269 20 70 FGIDLO COc1cccc(Cl)c1CC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000159430870 495732812 /nfs/dbraw/zinc/73/28/12/495732812.db2.gz AETYLMACPUGBHO-UHFFFAOYSA-N 1 2 369.852 3.452 20 70 FGIDLO COc1ccccc1[C@H](NC(=O)NC[C@]1(C)CCCS1)c1[nH+]ccn1C ZINC000159517876 495749696 /nfs/dbraw/zinc/74/96/96/495749696.db2.gz ZYKYRHHWMBWIFX-LPHOPBHVSA-N 1 2 374.510 3.103 20 70 FGIDLO CCCN(C(=O)c1cccs1)C1CC[NH+](CC(=O)c2cccn2C)CC1 ZINC000159645485 495777347 /nfs/dbraw/zinc/77/73/47/495777347.db2.gz HSKVDKIGEKBOLO-UHFFFAOYSA-N 1 2 373.522 3.286 20 70 FGIDLO Cc1nc(C)c(C[N@H+](C)CCCOc2cccc(S(C)(=O)=O)c2)s1 ZINC000159842199 495822890 /nfs/dbraw/zinc/82/28/90/495822890.db2.gz QICCTWRXZGKEGF-UHFFFAOYSA-N 1 2 368.524 3.064 20 70 FGIDLO Cc1nc(C)c(C[N@@H+](C)CCCOc2cccc(S(C)(=O)=O)c2)s1 ZINC000159842199 495822894 /nfs/dbraw/zinc/82/28/94/495822894.db2.gz QICCTWRXZGKEGF-UHFFFAOYSA-N 1 2 368.524 3.064 20 70 FGIDLO Cc1[nH+]c2ccccc2n1CCNC(=O)Nc1ccn(CCC(C)C)n1 ZINC000159856292 495825467 /nfs/dbraw/zinc/82/54/67/495825467.db2.gz UQAIRSHPIFNOFU-UHFFFAOYSA-N 1 2 354.458 3.409 20 70 FGIDLO C[C@@]1(CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)CCCS1 ZINC000159899577 495835382 /nfs/dbraw/zinc/83/53/82/495835382.db2.gz IAROPQHNJMVPON-IBGZPJMESA-N 1 2 358.511 3.059 20 70 FGIDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000159992664 495857904 /nfs/dbraw/zinc/85/79/04/495857904.db2.gz VFCBRPQGNFOEDD-RDJZCZTQSA-N 1 2 357.404 3.380 20 70 FGIDLO Cc1cccc2c(CCC(=O)NCCc3cn4c([nH+]3)CCCC4)c[nH]c21 ZINC000160042837 495869787 /nfs/dbraw/zinc/86/97/87/495869787.db2.gz MEFCMOUTKABHSJ-UHFFFAOYSA-N 1 2 350.466 3.301 20 70 FGIDLO Cc1cccc([C@H]2CCC[N@@H+]2CCOc2cccc(S(C)(=O)=O)c2)n1 ZINC000160063599 495876051 /nfs/dbraw/zinc/87/60/51/495876051.db2.gz VSBLCJLMRNDCAR-LJQANCHMSA-N 1 2 360.479 3.009 20 70 FGIDLO Cc1cccc([C@H]2CCC[N@H+]2CCOc2cccc(S(C)(=O)=O)c2)n1 ZINC000160063599 495876056 /nfs/dbraw/zinc/87/60/56/495876056.db2.gz VSBLCJLMRNDCAR-LJQANCHMSA-N 1 2 360.479 3.009 20 70 FGIDLO CC[C@H](NC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C)c1nccs1 ZINC000160123022 495888879 /nfs/dbraw/zinc/88/88/79/495888879.db2.gz GXVSNXSGMUDHOP-KBPBESRZSA-N 1 2 368.453 3.475 20 70 FGIDLO CC(C)CCn1ccc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000160228126 495914087 /nfs/dbraw/zinc/91/40/87/495914087.db2.gz JXYXSAQABUNVOS-UHFFFAOYSA-N 1 2 366.469 3.496 20 70 FGIDLO COCCOc1cc(C)ccc1CNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000160449736 495965266 /nfs/dbraw/zinc/96/52/66/495965266.db2.gz QJBCUVCDJAOHKD-UHFFFAOYSA-N 1 2 359.474 3.007 20 70 FGIDLO COCCOc1cc(C)ccc1CNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000160449736 495965272 /nfs/dbraw/zinc/96/52/72/495965272.db2.gz QJBCUVCDJAOHKD-UHFFFAOYSA-N 1 2 359.474 3.007 20 70 FGIDLO CCCc1nc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)no1 ZINC000160523456 495983081 /nfs/dbraw/zinc/98/30/81/495983081.db2.gz LEKJFOUNBURSND-YIONKMFJSA-N 1 2 364.490 3.384 20 70 FGIDLO CCCc1nc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)no1 ZINC000160523456 495983087 /nfs/dbraw/zinc/98/30/87/495983087.db2.gz LEKJFOUNBURSND-YIONKMFJSA-N 1 2 364.490 3.384 20 70 FGIDLO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1noc(C2CCCCC2)n1 ZINC000160561912 495992130 /nfs/dbraw/zinc/99/21/30/495992130.db2.gz XBZNVDSAAKQAOM-ZDUSSCGKSA-N 1 2 355.442 3.308 20 70 FGIDLO CCCn1c(C)nnc1C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000160917115 496066618 /nfs/dbraw/zinc/06/66/18/496066618.db2.gz ISZNQQYQONEPIZ-GOSISDBHSA-N 1 2 354.454 3.325 20 70 FGIDLO CCCn1c(C)nnc1C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000160917115 496066620 /nfs/dbraw/zinc/06/66/20/496066620.db2.gz ISZNQQYQONEPIZ-GOSISDBHSA-N 1 2 354.454 3.325 20 70 FGIDLO Cc1n[nH]cc1C[N@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000160937445 496071623 /nfs/dbraw/zinc/07/16/23/496071623.db2.gz ZTWPISGHBSRBLQ-UHFFFAOYSA-N 1 2 360.767 3.461 20 70 FGIDLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000160937445 496071627 /nfs/dbraw/zinc/07/16/27/496071627.db2.gz ZTWPISGHBSRBLQ-UHFFFAOYSA-N 1 2 360.767 3.461 20 70 FGIDLO C[C@H]1CC(=O)CC[C@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000161007004 496084564 /nfs/dbraw/zinc/08/45/64/496084564.db2.gz RSJNFMZSBQYAFR-KBXCAEBGSA-N 1 2 355.438 3.042 20 70 FGIDLO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1noc(-c2ccsc2)n1)c1ccccc1 ZINC000161113619 496106234 /nfs/dbraw/zinc/10/62/34/496106234.db2.gz JSARJYSFUXQIIJ-BLLLJJGKSA-N 1 2 357.435 3.438 20 70 FGIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000161200157 496126054 /nfs/dbraw/zinc/12/60/54/496126054.db2.gz ZXTHYPRDEXSCRX-MRXNPFEDSA-N 1 2 369.465 3.496 20 70 FGIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000161200157 496126061 /nfs/dbraw/zinc/12/60/61/496126061.db2.gz ZXTHYPRDEXSCRX-MRXNPFEDSA-N 1 2 369.465 3.496 20 70 FGIDLO COc1ccc(-c2cncc(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)c2)cc1 ZINC000161246406 496137199 /nfs/dbraw/zinc/13/71/99/496137199.db2.gz ABABKQBXBLAMAT-LJQANCHMSA-N 1 2 374.444 3.161 20 70 FGIDLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c(C)c1 ZINC000161461026 496180381 /nfs/dbraw/zinc/18/03/81/496180381.db2.gz BLJSUQBSSDFXKG-BBRMVZONSA-N 1 2 358.404 3.266 20 70 FGIDLO CC(C)N(C(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)c1ccccc1 ZINC000161492714 496186078 /nfs/dbraw/zinc/18/60/78/496186078.db2.gz PLGUVXORQOLTPY-QGZVFWFLSA-N 1 2 358.404 3.063 20 70 FGIDLO COc1cc(F)c(NC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1OC ZINC000161497394 496186495 /nfs/dbraw/zinc/18/64/95/496186495.db2.gz MVJOETRZMKUQQN-CYBMUJFWSA-N 1 2 374.416 3.028 20 70 FGIDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)COc3ccc(C)cc3)CC2)c1 ZINC000216858100 496993078 /nfs/dbraw/zinc/99/30/78/496993078.db2.gz OKTZJYQFJUZVLP-GOSISDBHSA-N 1 2 368.477 3.288 20 70 FGIDLO Cn1cc[nH+]c1[C@H](NC(=O)NC[C@@]1(C)CCCS1)c1cccc(F)c1 ZINC000159475010 495740668 /nfs/dbraw/zinc/74/06/68/495740668.db2.gz SGNGQRSTFHGIOH-CRAIPNDOSA-N 1 2 362.474 3.234 20 70 FGIDLO Cc1ccc(Cl)cc1N1CC[NH+](Cc2ccc(C(=O)N(C)C)[nH]2)CC1 ZINC000159764465 495804781 /nfs/dbraw/zinc/80/47/81/495804781.db2.gz KGIDQQAVGGSCHW-UHFFFAOYSA-N 1 2 360.889 3.001 20 70 FGIDLO CCc1cccc(CC)c1NC(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000159782394 495808807 /nfs/dbraw/zinc/80/88/07/495808807.db2.gz CGIOXBYTJZHRGH-HNNXBMFYSA-N 1 2 350.528 3.204 20 70 FGIDLO C[C@@H](NC(=O)[C@H](C)SCC[NH+]1CCOCC1)c1ccc2ccccc2c1 ZINC000159912848 495838899 /nfs/dbraw/zinc/83/88/99/495838899.db2.gz YPROVQBGCABKBK-SJORKVTESA-N 1 2 372.534 3.471 20 70 FGIDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000159992042 495858251 /nfs/dbraw/zinc/85/82/51/495858251.db2.gz ODWFOIJAUSDLOY-HOTGVXAUSA-N 1 2 357.404 3.380 20 70 FGIDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000159992933 495858673 /nfs/dbraw/zinc/85/86/73/495858673.db2.gz VFCBRPQGNFOEDD-DOTOQJQBSA-N 1 2 357.404 3.380 20 70 FGIDLO COc1cc(Cl)c(C)cc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160022577 495866291 /nfs/dbraw/zinc/86/62/91/495866291.db2.gz HGOSDFCAFWUCPC-ZDUSSCGKSA-N 1 2 360.845 3.452 20 70 FGIDLO C(c1noc(C2CCCCC2)n1)[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000160043566 495870811 /nfs/dbraw/zinc/87/08/11/495870811.db2.gz MNLMDGDGWQIINS-OAHLLOKOSA-N 1 2 356.474 3.035 20 70 FGIDLO C(c1noc(C2CCCCC2)n1)[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000160043566 495870820 /nfs/dbraw/zinc/87/08/20/495870820.db2.gz MNLMDGDGWQIINS-OAHLLOKOSA-N 1 2 356.474 3.035 20 70 FGIDLO CS[C@@H](C)CC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000160071906 495878041 /nfs/dbraw/zinc/87/80/41/495878041.db2.gz POCRFHIECBYSOP-HNNXBMFYSA-N 1 2 355.507 3.402 20 70 FGIDLO CC[N@H+](Cc1ccc(C)s1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000160226812 495913759 /nfs/dbraw/zinc/91/37/59/495913759.db2.gz IZLMVHXWOQYXIM-UHFFFAOYSA-N 1 2 373.478 3.332 20 70 FGIDLO CC[N@@H+](Cc1ccc(C)s1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000160226812 495913766 /nfs/dbraw/zinc/91/37/66/495913766.db2.gz IZLMVHXWOQYXIM-UHFFFAOYSA-N 1 2 373.478 3.332 20 70 FGIDLO COc1ccc([C@H](NC(=O)c2cccc(C)c2F)c2[nH+]ccn2C)cc1 ZINC000160250524 495918967 /nfs/dbraw/zinc/91/89/67/495918967.db2.gz JZAGSVCWQZPQPK-SFHVURJKSA-N 1 2 353.397 3.396 20 70 FGIDLO CC[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccc(F)cc1F ZINC000160332632 495938069 /nfs/dbraw/zinc/93/80/69/495938069.db2.gz ZLWFJQMURIYKAI-IBGZPJMESA-N 1 2 374.435 3.338 20 70 FGIDLO C[C@H](CNC(=O)N1CC[NH+](Cc2ccccn2)CC1)Sc1ccccc1 ZINC000160447263 495965547 /nfs/dbraw/zinc/96/55/47/495965547.db2.gz KLYWVCGNNAOLKJ-QGZVFWFLSA-N 1 2 370.522 3.090 20 70 FGIDLO O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160611516 496003362 /nfs/dbraw/zinc/00/33/62/496003362.db2.gz DJERHSFZPPOPGG-SECBINFHSA-N 1 2 350.300 3.244 20 70 FGIDLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000160691047 496021510 /nfs/dbraw/zinc/02/15/10/496021510.db2.gz AHVVQDCASOIFSI-KRWDZBQOSA-N 1 2 372.266 3.417 20 70 FGIDLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000160691047 496021516 /nfs/dbraw/zinc/02/15/16/496021516.db2.gz AHVVQDCASOIFSI-KRWDZBQOSA-N 1 2 372.266 3.417 20 70 FGIDLO COc1ccc(-c2cnc(C[NH+]3CCC([C@H](O)C(F)(F)F)CC3)o2)cc1 ZINC000161272594 496141977 /nfs/dbraw/zinc/14/19/77/496141977.db2.gz IVZKDVJBMIHJOE-KRWDZBQOSA-N 1 2 370.371 3.485 20 70 FGIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Cl)c2cccnc12 ZINC000161304031 496147901 /nfs/dbraw/zinc/14/79/01/496147901.db2.gz NFPNZZQZRQGELK-CYBMUJFWSA-N 1 2 352.825 3.292 20 70 FGIDLO CCC(CC)n1nccc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000161452239 496179295 /nfs/dbraw/zinc/17/92/95/496179295.db2.gz ZNLQABWCKFBLLN-FQEVSTJZSA-N 1 2 370.497 3.048 20 70 FGIDLO CCCCn1ncc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1C ZINC000161480518 496183896 /nfs/dbraw/zinc/18/38/96/496183896.db2.gz QDSLJUXNGULVEW-UHFFFAOYSA-N 1 2 351.454 3.166 20 70 FGIDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2nc(-c3ccoc3)no2)CC1 ZINC000159463189 495738152 /nfs/dbraw/zinc/73/81/52/495738152.db2.gz UHVKHHODTOVYBU-CQSZACIVSA-N 1 2 356.401 3.348 20 70 FGIDLO C[C@H](NC(=O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1)c1ccccc1 ZINC000159616486 495771208 /nfs/dbraw/zinc/77/12/08/495771208.db2.gz RGHKWXBVFACLJO-HTAPYJJXSA-N 1 2 350.462 3.038 20 70 FGIDLO C[C@H](NC(=O)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1)c1ccccc1 ZINC000159616486 495771214 /nfs/dbraw/zinc/77/12/14/495771214.db2.gz RGHKWXBVFACLJO-HTAPYJJXSA-N 1 2 350.462 3.038 20 70 FGIDLO CCOC(=O)c1cc2cc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)ccc2s1 ZINC000159715447 495792211 /nfs/dbraw/zinc/79/22/11/495792211.db2.gz WYDFUDOZXYHGLR-LBPRGKRZSA-N 1 2 369.446 3.476 20 70 FGIDLO O=C(NCc1[nH]cc[nH+]1)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000159818942 495817137 /nfs/dbraw/zinc/81/71/37/495817137.db2.gz DLCJWMIFRADGNK-UHFFFAOYSA-N 1 2 365.224 3.283 20 70 FGIDLO CCOCCC1(CNC(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC000159911524 495838622 /nfs/dbraw/zinc/83/86/22/495838622.db2.gz FYHXBYAXOCPYFA-INIZCTEOSA-N 1 2 369.456 3.074 20 70 FGIDLO O=C(CSCC[NH+]1CCOCC1)N[C@H](c1ccccc1)C1CCCC1 ZINC000160027123 495866719 /nfs/dbraw/zinc/86/67/19/495866719.db2.gz QAHVYFLCIUBWPO-HXUWFJFHSA-N 1 2 362.539 3.100 20 70 FGIDLO CC[C@H](NC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C)c1nccs1 ZINC000160123254 495888675 /nfs/dbraw/zinc/88/86/75/495888675.db2.gz GXVSNXSGMUDHOP-UONOGXRCSA-N 1 2 368.453 3.475 20 70 FGIDLO O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160162395 495898824 /nfs/dbraw/zinc/89/88/24/495898824.db2.gz ZQBQDUMAKIMGID-NHCUHLMSSA-N 1 2 364.493 3.245 20 70 FGIDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000160307322 495931866 /nfs/dbraw/zinc/93/18/66/495931866.db2.gz IHEUFTNQLJIOPS-OALUTQOASA-N 1 2 368.481 3.030 20 70 FGIDLO O=C(NCCCCNc1cccc[nH+]1)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000160431884 495961635 /nfs/dbraw/zinc/96/16/35/495961635.db2.gz WSFRTHBOLSIPDT-GOSISDBHSA-N 1 2 370.453 3.263 20 70 FGIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C)Cc3ccccc3OC)c2c1 ZINC000160458048 495967934 /nfs/dbraw/zinc/96/79/34/495967934.db2.gz OBLJEGCQZLZTQY-UHFFFAOYSA-N 1 2 366.417 3.278 20 70 FGIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+](C)Cc3ccccc3OC)c2c1 ZINC000160458048 495967942 /nfs/dbraw/zinc/96/79/42/495967942.db2.gz OBLJEGCQZLZTQY-UHFFFAOYSA-N 1 2 366.417 3.278 20 70 FGIDLO C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(OCC(F)(F)F)cc1 ZINC000160478528 495972420 /nfs/dbraw/zinc/97/24/20/495972420.db2.gz YBKTZYQTDUXSSR-GXTWGEPZSA-N 1 2 367.371 3.264 20 70 FGIDLO C[N@H+](Cc1noc(C2CC2)n1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160616056 496003191 /nfs/dbraw/zinc/00/31/91/496003191.db2.gz VMVAVJGVXNWRKP-YIONKMFJSA-N 1 2 362.474 3.309 20 70 FGIDLO C[N@@H+](Cc1noc(C2CC2)n1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160616056 496003196 /nfs/dbraw/zinc/00/31/96/496003196.db2.gz VMVAVJGVXNWRKP-YIONKMFJSA-N 1 2 362.474 3.309 20 70 FGIDLO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(CO)o1 ZINC000160677609 496018163 /nfs/dbraw/zinc/01/81/63/496018163.db2.gz KRVLDLRGIBFWMB-UHFFFAOYSA-N 1 2 356.344 3.251 20 70 FGIDLO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(CO)o1 ZINC000160677609 496018167 /nfs/dbraw/zinc/01/81/67/496018167.db2.gz KRVLDLRGIBFWMB-UHFFFAOYSA-N 1 2 356.344 3.251 20 70 FGIDLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000160690930 496020924 /nfs/dbraw/zinc/02/09/24/496020924.db2.gz AHVVQDCASOIFSI-QGZVFWFLSA-N 1 2 372.266 3.417 20 70 FGIDLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000160690930 496020929 /nfs/dbraw/zinc/02/09/29/496020929.db2.gz AHVVQDCASOIFSI-QGZVFWFLSA-N 1 2 372.266 3.417 20 70 FGIDLO CCOc1ccc(S(=O)(=O)Nc2cccc3c2C[N@@H+](C(C)C)C3)cn1 ZINC000160771481 496038962 /nfs/dbraw/zinc/03/89/62/496038962.db2.gz SVRDFEGTNLQOJJ-UHFFFAOYSA-N 1 2 361.467 3.005 20 70 FGIDLO CCOc1ccc(S(=O)(=O)Nc2cccc3c2C[N@H+](C(C)C)C3)cn1 ZINC000160771481 496038964 /nfs/dbraw/zinc/03/89/64/496038964.db2.gz SVRDFEGTNLQOJJ-UHFFFAOYSA-N 1 2 361.467 3.005 20 70 FGIDLO CCCC[N@H+](Cc1c(F)cccc1N1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000160792172 496043154 /nfs/dbraw/zinc/04/31/54/496043154.db2.gz MJCKCVUGYVVCHG-INIZCTEOSA-N 1 2 368.518 3.215 20 70 FGIDLO CCCC[N@@H+](Cc1c(F)cccc1N1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000160792172 496043159 /nfs/dbraw/zinc/04/31/59/496043159.db2.gz MJCKCVUGYVVCHG-INIZCTEOSA-N 1 2 368.518 3.215 20 70 FGIDLO O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000160807317 496046731 /nfs/dbraw/zinc/04/67/31/496046731.db2.gz MJVSJCNKNTZYJB-HKUYNNGSSA-N 1 2 354.454 3.150 20 70 FGIDLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1cnc2nc(C)cc(C)n12 ZINC000160884675 496061010 /nfs/dbraw/zinc/06/10/10/496061010.db2.gz RPFDJICZGLDELG-UHFFFAOYSA-N 1 2 369.494 3.139 20 70 FGIDLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cnc2nc(C)cc(C)n12 ZINC000160884675 496061014 /nfs/dbraw/zinc/06/10/14/496061014.db2.gz RPFDJICZGLDELG-UHFFFAOYSA-N 1 2 369.494 3.139 20 70 FGIDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000160886849 496061115 /nfs/dbraw/zinc/06/11/15/496061115.db2.gz YRURLFPJLUXICN-AFYVEPGGSA-N 1 2 368.481 3.396 20 70 FGIDLO O=C(c1ccccc1NCc1ccco1)N1CCN(c2cccc[nH+]2)CC1 ZINC000160941007 496071007 /nfs/dbraw/zinc/07/10/07/496071007.db2.gz SAGJEDQVRXOXGZ-UHFFFAOYSA-N 1 2 362.433 3.249 20 70 FGIDLO COCCC1(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000161000440 496081895 /nfs/dbraw/zinc/08/18/95/496081895.db2.gz SUNAUOWQUPYYKM-MOPGFXCFSA-N 1 2 368.481 3.228 20 70 FGIDLO O=C(NCc1ccc(OC2CCCCC2)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161098525 496102569 /nfs/dbraw/zinc/10/25/69/496102569.db2.gz CQUFQBOHHBNYDA-KRWDZBQOSA-N 1 2 353.466 3.473 20 70 FGIDLO CC(C)Sc1ccccc1NC(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000161135121 496111632 /nfs/dbraw/zinc/11/16/32/496111632.db2.gz GFWUSTAYXOFMTC-UHFFFAOYSA-N 1 2 368.462 3.090 20 70 FGIDLO C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161239106 496134725 /nfs/dbraw/zinc/13/47/25/496134725.db2.gz PFYHRYJFDNXUHL-FZMZJTMJSA-N 1 2 355.360 3.433 20 70 FGIDLO Cc1cc(-c2noc(C[NH+]3CCC([C@@H](O)C(F)(F)F)CC3)n2)ccc1F ZINC000161309716 496148903 /nfs/dbraw/zinc/14/89/03/496148903.db2.gz OUHMFSGXBBOBDR-OAHLLOKOSA-N 1 2 373.350 3.319 20 70 FGIDLO CSc1nc(C(C)C)nc(C)c1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161406574 496170271 /nfs/dbraw/zinc/17/02/71/496170271.db2.gz XNHXMKMRYQFJML-AWEZNQCLSA-N 1 2 371.510 3.034 20 70 FGIDLO CC(C)OCc1cccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000161443524 496177624 /nfs/dbraw/zinc/17/76/24/496177624.db2.gz IUCFVUWTKNOVAC-SFHVURJKSA-N 1 2 354.454 3.407 20 70 FGIDLO CC(C)(c1nnc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)s1)c1ccccc1 ZINC000161468897 496181792 /nfs/dbraw/zinc/18/17/92/496181792.db2.gz KQNPRRPCGQBTRY-ZDUSSCGKSA-N 1 2 367.478 3.262 20 70 FGIDLO C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161497690 496186595 /nfs/dbraw/zinc/18/65/95/496186595.db2.gz WCLXMBKVMRXUSP-LRDDRELGSA-N 1 2 369.387 3.357 20 70 FGIDLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000159404513 495725403 /nfs/dbraw/zinc/72/54/03/495725403.db2.gz TUSBAOABUKTLLV-OAHLLOKOSA-N 1 2 372.465 3.244 20 70 FGIDLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000159404513 495725409 /nfs/dbraw/zinc/72/54/09/495725409.db2.gz TUSBAOABUKTLLV-OAHLLOKOSA-N 1 2 372.465 3.244 20 70 FGIDLO O=C(N[C@@H]1CCc2c1cccc2Cl)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159602979 495767431 /nfs/dbraw/zinc/76/74/31/495767431.db2.gz KUDIFWXNOGUVQK-LJQANCHMSA-N 1 2 370.884 3.250 20 70 FGIDLO O=C(N[C@H]1CCc2c1cccc2Cl)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159603137 495767487 /nfs/dbraw/zinc/76/74/87/495767487.db2.gz KUDIFWXNOGUVQK-IBGZPJMESA-N 1 2 370.884 3.250 20 70 FGIDLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000159696607 495789190 /nfs/dbraw/zinc/78/91/90/495789190.db2.gz AAUQRWSWNUVRRV-RTBURBONSA-N 1 2 370.518 3.383 20 70 FGIDLO Cc1ccsc1[C@H]1C[C@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000159774988 495806063 /nfs/dbraw/zinc/80/60/63/495806063.db2.gz OKSUDLJGMUMWNO-RBUKOAKNSA-N 1 2 370.518 3.309 20 70 FGIDLO O=C(Nc1cccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1)c1ccccc1 ZINC000160079009 495879359 /nfs/dbraw/zinc/87/93/59/495879359.db2.gz WVTJVCTXLDWOCZ-MRXNPFEDSA-N 1 2 360.417 3.337 20 70 FGIDLO CC[C@@H](OC1CCCCC1)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000160251704 495919079 /nfs/dbraw/zinc/91/90/79/495919079.db2.gz MKIQLQCLMBZNSN-LEWJYISDSA-N 1 2 374.525 3.304 20 70 FGIDLO CC(C)c1ccc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)cn1 ZINC000160337131 495938505 /nfs/dbraw/zinc/93/85/05/495938505.db2.gz DXBFDOGQPJLYIP-HXUWFJFHSA-N 1 2 353.466 3.008 20 70 FGIDLO CCOc1ccc(C[NH+]2CCN(C(=O)Cc3nc(C)sc3C)CC2)cc1 ZINC000160396179 495953498 /nfs/dbraw/zinc/95/34/98/495953498.db2.gz HZPLWWXBIGXOAB-UHFFFAOYSA-N 1 2 373.522 3.046 20 70 FGIDLO O=C(N[C@@H]1CCc2cc(Br)ccc21)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160405816 495955628 /nfs/dbraw/zinc/95/56/28/495955628.db2.gz ZKQGKAJEWLEZMA-IUODEOHRSA-N 1 2 360.255 3.012 20 70 FGIDLO CCC[N@@H+]1Cc2cccc(NC(=O)c3csc(S(C)(=O)=O)c3)c2C1 ZINC000160491212 495975572 /nfs/dbraw/zinc/97/55/72/495975572.db2.gz ZOSPMJXJHYDFFN-UHFFFAOYSA-N 1 2 364.492 3.130 20 70 FGIDLO CCC[N@H+]1Cc2cccc(NC(=O)c3csc(S(C)(=O)=O)c3)c2C1 ZINC000160491212 495975577 /nfs/dbraw/zinc/97/55/77/495975577.db2.gz ZOSPMJXJHYDFFN-UHFFFAOYSA-N 1 2 364.492 3.130 20 70 FGIDLO CCCC[N@H+](Cc1ccccc1OCC1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000160784018 496040725 /nfs/dbraw/zinc/04/07/25/496040725.db2.gz XPUCTILBZFXGHT-SFHVURJKSA-N 1 2 351.512 3.265 20 70 FGIDLO CCCC[N@@H+](Cc1ccccc1OCC1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000160784018 496040731 /nfs/dbraw/zinc/04/07/31/496040731.db2.gz XPUCTILBZFXGHT-SFHVURJKSA-N 1 2 351.512 3.265 20 70 FGIDLO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000160817378 496047955 /nfs/dbraw/zinc/04/79/55/496047955.db2.gz NGMBBLZSCFFTGA-QYZOEREBSA-N 1 2 370.518 3.350 20 70 FGIDLO C[C@H]1CC(NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C[C@H](C)O1 ZINC000160880093 496059669 /nfs/dbraw/zinc/05/96/69/496059669.db2.gz NVUFKVXAGSGBMO-GJZGRUSLSA-N 1 2 358.442 3.040 20 70 FGIDLO CCC[N@H+](Cc1ccc(C)cc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000161101765 496104197 /nfs/dbraw/zinc/10/41/97/496104197.db2.gz MUERGUSBWWFHFI-AWEZNQCLSA-N 1 2 360.317 3.157 20 70 FGIDLO CCC[N@@H+](Cc1ccc(C)cc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000161101765 496104203 /nfs/dbraw/zinc/10/42/03/496104203.db2.gz MUERGUSBWWFHFI-AWEZNQCLSA-N 1 2 360.317 3.157 20 70 FGIDLO Clc1cccc(-c2noc(CN3CC[NH+](Cc4ccncc4)CC3)n2)c1 ZINC000161209142 496128331 /nfs/dbraw/zinc/12/83/31/496128331.db2.gz DBEITXHEPLONDK-UHFFFAOYSA-N 1 2 369.856 3.103 20 70 FGIDLO Cn1cc(Cl)cc1C[N@H+](C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000161221132 496131399 /nfs/dbraw/zinc/13/13/99/496131399.db2.gz SNHCGPKBMSTNPD-CQSZACIVSA-N 1 2 370.678 3.099 20 70 FGIDLO Cn1cc(Cl)cc1C[N@@H+](C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000161221132 496131403 /nfs/dbraw/zinc/13/14/03/496131403.db2.gz SNHCGPKBMSTNPD-CQSZACIVSA-N 1 2 370.678 3.099 20 70 FGIDLO O[C@H](C1CC[NH+](Cc2cn(-c3ccc(Cl)cc3)nn2)CC1)C(F)(F)F ZINC000161328272 496153014 /nfs/dbraw/zinc/15/30/14/496153014.db2.gz STHKHPNHXSVCNN-OAHLLOKOSA-N 1 2 374.794 3.056 20 70 FGIDLO Cc1noc(C)c1[C@H](C)CNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000161391740 496166954 /nfs/dbraw/zinc/16/69/54/496166954.db2.gz NPSJXNLKIJWSOO-CQSZACIVSA-N 1 2 372.469 3.049 20 70 FGIDLO CC(C)CN(C)c1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000161431665 496175942 /nfs/dbraw/zinc/17/59/42/496175942.db2.gz KWSIMJDKKGPIFO-GOSISDBHSA-N 1 2 352.482 3.183 20 70 FGIDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)COc3ccc(C)cc3)CC2)c1 ZINC000216858124 496992727 /nfs/dbraw/zinc/99/27/27/496992727.db2.gz OKTZJYQFJUZVLP-SFHVURJKSA-N 1 2 368.477 3.288 20 70 FGIDLO O=C(c1ccc(Cl)cc1F)N1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000159612644 495769830 /nfs/dbraw/zinc/76/98/30/495769830.db2.gz XROXGGZHCWFQCG-UHFFFAOYSA-N 1 2 372.831 3.085 20 70 FGIDLO Cc1[nH]nc(C(C)C)c1C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000159622931 495772678 /nfs/dbraw/zinc/77/26/78/495772678.db2.gz NNUVLDARRLVFRG-CQSZACIVSA-N 1 2 350.413 3.152 20 70 FGIDLO Cc1cccc2[nH+]c(CNC(=O)Cc3csc(-c4ccoc4)n3)cn21 ZINC000159655814 495779541 /nfs/dbraw/zinc/77/95/41/495779541.db2.gz RFCOPSUDGWGFJM-UHFFFAOYSA-N 1 2 352.419 3.218 20 70 FGIDLO CCCNC(=O)c1ccc(N(C)Cc2[nH+]ccn2Cc2ccccc2)nc1 ZINC000159722808 495795379 /nfs/dbraw/zinc/79/53/79/495795379.db2.gz MREAXEIZDQPGBE-UHFFFAOYSA-N 1 2 363.465 3.103 20 70 FGIDLO COc1cc([C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)ccc1OC(C)C ZINC000159757356 495802121 /nfs/dbraw/zinc/80/21/21/495802121.db2.gz BANJGXZCHLLCSZ-GOEBONIOSA-N 1 2 357.454 3.119 20 70 FGIDLO COc1cc([C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)ccc1OC(C)C ZINC000159757253 495802276 /nfs/dbraw/zinc/80/22/76/495802276.db2.gz BANJGXZCHLLCSZ-GDBMZVCRSA-N 1 2 357.454 3.119 20 70 FGIDLO COc1cc([C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)ccc1OC(C)C ZINC000159757490 495802618 /nfs/dbraw/zinc/80/26/18/495802618.db2.gz BANJGXZCHLLCSZ-ZBFHGGJFSA-N 1 2 357.454 3.119 20 70 FGIDLO CC[C@H](Cc1ccccc1Br)C(=O)NCCn1cc[nH+]c1 ZINC000159788965 495809981 /nfs/dbraw/zinc/80/99/81/495809981.db2.gz KGAXMGHEBLKYKJ-CYBMUJFWSA-N 1 2 350.260 3.031 20 70 FGIDLO COc1ccc(F)cc1-c1csc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000160001320 495860716 /nfs/dbraw/zinc/86/07/16/495860716.db2.gz AHSXGJBIANEDHE-LLVKDONJSA-N 1 2 372.425 3.355 20 70 FGIDLO COC(=O)[C@@H](c1cccnc1)[N@H+](C)CCc1ccc(Br)cc1 ZINC000160046853 495871319 /nfs/dbraw/zinc/87/13/19/495871319.db2.gz UYVUTHSXEIXKQM-MRXNPFEDSA-N 1 2 363.255 3.233 20 70 FGIDLO COC(=O)[C@@H](c1cccnc1)[N@@H+](C)CCc1ccc(Br)cc1 ZINC000160046853 495871328 /nfs/dbraw/zinc/87/13/28/495871328.db2.gz UYVUTHSXEIXKQM-MRXNPFEDSA-N 1 2 363.255 3.233 20 70 FGIDLO CCC[C@@H](NC(=O)[C@H](C)SCC[NH+]1CCOCC1)c1ccccc1 ZINC000160048049 495871927 /nfs/dbraw/zinc/87/19/27/495871927.db2.gz QHLIUVVMCBTNNW-FUHWJXTLSA-N 1 2 350.528 3.098 20 70 FGIDLO CC[C@@H](OC1CCCCC1)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000160251945 495919127 /nfs/dbraw/zinc/91/91/27/495919127.db2.gz MKIQLQCLMBZNSN-NHCUHLMSSA-N 1 2 374.525 3.304 20 70 FGIDLO CCOc1ccc(OCC)c(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000160290121 495928209 /nfs/dbraw/zinc/92/82/09/495928209.db2.gz GYXNVMMECGLFQM-OAHLLOKOSA-N 1 2 370.453 3.279 20 70 FGIDLO CCn1cc(C[N@H+](CC)CC(=O)Nc2ccccc2C(F)(F)F)cn1 ZINC000160675609 496016938 /nfs/dbraw/zinc/01/69/38/496016938.db2.gz IMPQWTYEDZDHGN-UHFFFAOYSA-N 1 2 354.376 3.382 20 70 FGIDLO CCn1cc(C[N@@H+](CC)CC(=O)Nc2ccccc2C(F)(F)F)cn1 ZINC000160675609 496016940 /nfs/dbraw/zinc/01/69/40/496016940.db2.gz IMPQWTYEDZDHGN-UHFFFAOYSA-N 1 2 354.376 3.382 20 70 FGIDLO COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[C@H]1c1cc(C)ccc1C ZINC000160869571 496057348 /nfs/dbraw/zinc/05/73/48/496057348.db2.gz DVYQGVOOPLEMHV-KRWDZBQOSA-N 1 2 353.422 3.009 20 70 FGIDLO Cc1cccc(O[C@H]2CCCC[C@H]2NC(=O)NCCCn2cc[nH+]c2)c1 ZINC000161107848 496104614 /nfs/dbraw/zinc/10/46/14/496104614.db2.gz VFCDMAUGDYAFEJ-MOPGFXCFSA-N 1 2 356.470 3.271 20 70 FGIDLO O=C(Nc1ccnc(Sc2ccccn2)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161142289 496112421 /nfs/dbraw/zinc/11/24/21/496112421.db2.gz XURFWMKVQODBJQ-ZDUSSCGKSA-N 1 2 351.435 3.025 20 70 FGIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000161160175 496116939 /nfs/dbraw/zinc/11/69/39/496116939.db2.gz RSMKUQMYXSTMMJ-HNNXBMFYSA-N 1 2 355.438 3.092 20 70 FGIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000161160175 496116945 /nfs/dbraw/zinc/11/69/45/496116945.db2.gz RSMKUQMYXSTMMJ-HNNXBMFYSA-N 1 2 355.438 3.092 20 70 FGIDLO O=C(Cc1cn2ccccc2[nH+]1)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000161186237 496122769 /nfs/dbraw/zinc/12/27/69/496122769.db2.gz KLLOEHGAWMAQTO-UHFFFAOYSA-N 1 2 363.461 3.211 20 70 FGIDLO Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161282511 496143997 /nfs/dbraw/zinc/14/39/97/496143997.db2.gz CEGGDZPABWHDMB-XJKSGUPXSA-N 1 2 358.404 3.266 20 70 FGIDLO O=C(Nc1ccc(-c2csnn2)cc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161374598 496162193 /nfs/dbraw/zinc/16/21/93/496162193.db2.gz BRJWCHOKXKYZKS-OAHLLOKOSA-N 1 2 366.450 3.001 20 70 FGIDLO CC(C)OCc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000161401427 496168974 /nfs/dbraw/zinc/16/89/74/496168974.db2.gz FKCZJHNETDWUEN-GOSISDBHSA-N 1 2 354.454 3.407 20 70 FGIDLO C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161408722 496169674 /nfs/dbraw/zinc/16/96/74/496169674.db2.gz LLYLEBZNOSUHBQ-BXKDBHETSA-N 1 2 361.389 3.494 20 70 FGIDLO Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1C ZINC000161436743 496176072 /nfs/dbraw/zinc/17/60/72/496176072.db2.gz PBNRZJMONIYMKA-KDOFPFPSSA-N 1 2 372.431 3.116 20 70 FGIDLO Cc1cccc(C)c1CCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000159383365 495720921 /nfs/dbraw/zinc/72/09/21/495720921.db2.gz IXLVDXCRFAXISY-UHFFFAOYSA-N 1 2 352.482 3.341 20 70 FGIDLO COc1ccc(CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1Cl ZINC000159548022 495757183 /nfs/dbraw/zinc/75/71/83/495757183.db2.gz IWYSXDQBJNVMJZ-UHFFFAOYSA-N 1 2 374.872 3.343 20 70 FGIDLO Cc1ccsc1[C@H]1C[C@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000159696751 495789446 /nfs/dbraw/zinc/78/94/46/495789446.db2.gz AAUQRWSWNUVRRV-RBUKOAKNSA-N 1 2 370.518 3.383 20 70 FGIDLO O=C(Nc1cccc(Br)c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159714766 495792876 /nfs/dbraw/zinc/79/28/76/495792876.db2.gz WJXAEKCRADJFDI-CQSZACIVSA-N 1 2 361.243 3.245 20 70 FGIDLO Cc1cccc([C@H](NC(=O)[C@H](C)[NH+]2CCSCC2)c2ccccn2)c1 ZINC000159834653 495820518 /nfs/dbraw/zinc/82/05/18/495820518.db2.gz UVJHYFNSGUCTEQ-LPHOPBHVSA-N 1 2 355.507 3.033 20 70 FGIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000159912456 495838707 /nfs/dbraw/zinc/83/87/07/495838707.db2.gz YPROVQBGCABKBK-DLBZAZTESA-N 1 2 372.534 3.471 20 70 FGIDLO COC(=O)[C@H](c1cccnc1)[N@H+](C)CCc1ccc(Br)cc1 ZINC000160046718 495870560 /nfs/dbraw/zinc/87/05/60/495870560.db2.gz UYVUTHSXEIXKQM-INIZCTEOSA-N 1 2 363.255 3.233 20 70 FGIDLO COC(=O)[C@H](c1cccnc1)[N@@H+](C)CCc1ccc(Br)cc1 ZINC000160046718 495870564 /nfs/dbraw/zinc/87/05/64/495870564.db2.gz UYVUTHSXEIXKQM-INIZCTEOSA-N 1 2 363.255 3.233 20 70 FGIDLO COc1ccccc1[C@H](NC(=O)N1CC[C@@H](C)[C@H](C)C1)c1[nH+]ccn1C ZINC000160047242 495872366 /nfs/dbraw/zinc/87/23/66/495872366.db2.gz VMBRFAHCYZRWMA-RKVPGOIHSA-N 1 2 356.470 3.206 20 70 FGIDLO Cc1cccc(-c2cncc(C(=O)N3CC[NH+](Cc4ccccn4)CC3)c2)c1 ZINC000160070241 495877143 /nfs/dbraw/zinc/87/71/43/495877143.db2.gz OBQOSYUCOTVMLA-UHFFFAOYSA-N 1 2 372.472 3.410 20 70 FGIDLO CCCC1(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)CCC1 ZINC000160073454 495877917 /nfs/dbraw/zinc/87/79/17/495877917.db2.gz NNGAPMBEVCBXGO-CALCHBBNSA-N 1 2 374.529 3.465 20 70 FGIDLO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)CC(=O)Nc1ccccc1F ZINC000160194913 495905467 /nfs/dbraw/zinc/90/54/67/495905467.db2.gz KJRVVDAFSAEGEN-UHFFFAOYSA-N 1 2 361.392 3.252 20 70 FGIDLO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)CC(=O)Nc1ccccc1F ZINC000160194913 495905474 /nfs/dbraw/zinc/90/54/74/495905474.db2.gz KJRVVDAFSAEGEN-UHFFFAOYSA-N 1 2 361.392 3.252 20 70 FGIDLO C[C@H](COc1ccccc1)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000160206774 495908755 /nfs/dbraw/zinc/90/87/55/495908755.db2.gz JRFXMASEVIKYOH-BEFAXECRSA-N 1 2 367.424 3.480 20 70 FGIDLO CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000160217241 495911456 /nfs/dbraw/zinc/91/14/56/495911456.db2.gz WYSRGWWYAKRSKR-INIZCTEOSA-N 1 2 366.469 3.080 20 70 FGIDLO CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000160217378 495911809 /nfs/dbraw/zinc/91/18/09/495911809.db2.gz WYSRGWWYAKRSKR-MRXNPFEDSA-N 1 2 366.469 3.080 20 70 FGIDLO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1noc(C2CCCCC2)n1 ZINC000160562035 495992227 /nfs/dbraw/zinc/99/22/27/495992227.db2.gz XBZNVDSAAKQAOM-CYBMUJFWSA-N 1 2 355.442 3.308 20 70 FGIDLO C[N@H+](Cc1cnc2ccccn12)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000160587409 495998127 /nfs/dbraw/zinc/99/81/27/495998127.db2.gz OYIILEVYYUBZGG-UHFFFAOYSA-N 1 2 361.348 3.296 20 70 FGIDLO C[N@@H+](Cc1cnc2ccccn12)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000160587409 495998130 /nfs/dbraw/zinc/99/81/30/495998130.db2.gz OYIILEVYYUBZGG-UHFFFAOYSA-N 1 2 361.348 3.296 20 70 FGIDLO Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)s2)c(C)c1 ZINC000160594140 496000056 /nfs/dbraw/zinc/00/00/56/496000056.db2.gz WVYBVFQHHLWOBU-CYBMUJFWSA-N 1 2 353.451 3.220 20 70 FGIDLO CCC(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)c1 ZINC000160725139 496028879 /nfs/dbraw/zinc/02/88/79/496028879.db2.gz IRTRGTSLLXXTOI-OAQYLSRUSA-N 1 2 366.461 3.416 20 70 FGIDLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000160817629 496048015 /nfs/dbraw/zinc/04/80/15/496048015.db2.gz NGMBBLZSCFFTGA-QRVBRYPASA-N 1 2 370.518 3.350 20 70 FGIDLO CSc1ccccc1NC(=O)CN(C)Cc1c[nH+]c2cc(C)ccn12 ZINC000160883485 496060137 /nfs/dbraw/zinc/06/01/37/496060137.db2.gz MWQUYBZYCZPOOM-UHFFFAOYSA-N 1 2 354.479 3.435 20 70 FGIDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCc2ncccc2F)C[C@H](C)O1 ZINC000160897403 496063612 /nfs/dbraw/zinc/06/36/12/496063612.db2.gz GLZZMBULRPPISV-GASCZTMLSA-N 1 2 372.444 3.152 20 70 FGIDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCc2ncccc2F)C[C@H](C)O1 ZINC000160897403 496063616 /nfs/dbraw/zinc/06/36/16/496063616.db2.gz GLZZMBULRPPISV-GASCZTMLSA-N 1 2 372.444 3.152 20 70 FGIDLO CN(C)c1c(Cl)cccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160932436 496070529 /nfs/dbraw/zinc/07/05/29/496070529.db2.gz DPNJURDGANZQRQ-ZDUSSCGKSA-N 1 2 359.861 3.201 20 70 FGIDLO O=C(Nc1ccc(N2CCCC2)c(F)c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161098452 496102991 /nfs/dbraw/zinc/10/29/91/496102991.db2.gz ULQPMFXNTUBXLX-INIZCTEOSA-N 1 2 369.444 3.221 20 70 FGIDLO Cc1cc(-c2noc(C[NH+]3CCC([C@H](O)C(F)(F)F)CC3)n2)ccc1F ZINC000161309597 496148608 /nfs/dbraw/zinc/14/86/08/496148608.db2.gz OUHMFSGXBBOBDR-HNNXBMFYSA-N 1 2 373.350 3.319 20 70 FGIDLO Cc1cccc(-c2noc(C[NH+]3CCC([C@@H](O)C(F)(F)F)CC3)n2)c1 ZINC000161359517 496160061 /nfs/dbraw/zinc/16/00/61/496160061.db2.gz DWSYTVKETJTUES-OAHLLOKOSA-N 1 2 355.360 3.180 20 70 FGIDLO CCN(C(=O)[C@H](C)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)c1ccccc1 ZINC000161439828 496177038 /nfs/dbraw/zinc/17/70/38/496177038.db2.gz VMYXBOYNKVGVKP-XJKSGUPXSA-N 1 2 358.404 3.063 20 70 FGIDLO C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161497791 496187616 /nfs/dbraw/zinc/18/76/16/496187616.db2.gz WCLXMBKVMRXUSP-WBMJQRKESA-N 1 2 369.387 3.357 20 70 FGIDLO O=C(Nc1cccc(-c2ccc3c(c2)CCO3)n1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161509125 496189118 /nfs/dbraw/zinc/18/91/18/496189118.db2.gz BIIQIXISJBRYDD-MRXNPFEDSA-N 1 2 360.417 3.081 20 70 FGIDLO COc1ccc(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1Cl ZINC000159377762 495719605 /nfs/dbraw/zinc/71/96/05/495719605.db2.gz GINVPDYBMPNJPQ-UHFFFAOYSA-N 1 2 374.872 3.343 20 70 FGIDLO C[C@H](c1cccc(F)c1)N1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000159465519 495738026 /nfs/dbraw/zinc/73/80/26/495738026.db2.gz QSEOCKQZWYSJEQ-NSYGIPOTSA-N 1 2 360.498 3.312 20 70 FGIDLO Cc1cccc([C@H](NC(=O)c2ccc(-n3cc[nH+]c3)nc2)c2ccccn2)c1 ZINC000159721264 495793367 /nfs/dbraw/zinc/79/33/67/495793367.db2.gz SVGWGNSJQITKCE-NRFANRHFSA-N 1 2 369.428 3.490 20 70 FGIDLO C[C@H]1CCCN(c2nnc(SCCn3cc[nH+]c3)n2Cc2ccco2)C1 ZINC000159756211 495802324 /nfs/dbraw/zinc/80/23/24/495802324.db2.gz JCTFKSMFLQTTFK-HNNXBMFYSA-N 1 2 372.498 3.145 20 70 FGIDLO Cc1cccc2c(CCC(=O)N3CC[NH+](Cc4cccnc4)CC3)c[nH]c21 ZINC000159787716 495809733 /nfs/dbraw/zinc/80/97/33/495809733.db2.gz RTZCNWDCTREWIA-UHFFFAOYSA-N 1 2 362.477 3.148 20 70 FGIDLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(N(C)C)c2)cc1 ZINC000159793945 495810480 /nfs/dbraw/zinc/81/04/80/495810480.db2.gz ZSYBUBQVMBZAOE-OAHLLOKOSA-N 1 2 353.466 3.414 20 70 FGIDLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(N(C)C)c2)cc1 ZINC000159793945 495810484 /nfs/dbraw/zinc/81/04/84/495810484.db2.gz ZSYBUBQVMBZAOE-OAHLLOKOSA-N 1 2 353.466 3.414 20 70 FGIDLO C[C@H](NC(=O)[C@H](C)SCC[NH+]1CCOCC1)c1ccc2ccccc2c1 ZINC000159912709 495838383 /nfs/dbraw/zinc/83/83/83/495838383.db2.gz YPROVQBGCABKBK-IRXDYDNUSA-N 1 2 372.534 3.471 20 70 FGIDLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC(n2cncn2)CC1 ZINC000159911537 495838454 /nfs/dbraw/zinc/83/84/54/495838454.db2.gz JIMKXRXFFVRCOY-CYBMUJFWSA-N 1 2 372.860 3.303 20 70 FGIDLO Cc1ccc(-c2noc([C@H](C)SCC[NH+]3CCOCC3)n2)cc1F ZINC000159960935 495850650 /nfs/dbraw/zinc/85/06/50/495850650.db2.gz NXWQGJJXRPRXKJ-ZDUSSCGKSA-N 1 2 351.447 3.311 20 70 FGIDLO COc1ccccc1[C@H](NC(=O)N1CC[C@H](C)[C@H](C)C1)c1[nH+]ccn1C ZINC000160047381 495872419 /nfs/dbraw/zinc/87/24/19/495872419.db2.gz VMBRFAHCYZRWMA-DAYGRLMNSA-N 1 2 356.470 3.206 20 70 FGIDLO CC(C)(C)[C@H](NC(=O)CSCC[NH+]1CCOCC1)c1cccs1 ZINC000160062886 495875834 /nfs/dbraw/zinc/87/58/34/495875834.db2.gz OUBNEYULCHTYJP-MRXNPFEDSA-N 1 2 356.557 3.017 20 70 FGIDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)CNC(=O)c2ccco2)c1 ZINC000160160810 495898351 /nfs/dbraw/zinc/89/83/51/495898351.db2.gz AVPLMVOBMPCIIS-UHFFFAOYSA-N 1 2 366.421 3.312 20 70 FGIDLO COc1ccccc1CN(Cc1cccs1)C(=O)NCCn1cc[nH+]c1 ZINC000160161804 495898798 /nfs/dbraw/zinc/89/87/98/495898798.db2.gz OJCFLPOEGOZGSU-UHFFFAOYSA-N 1 2 370.478 3.365 20 70 FGIDLO O=C(N[C@H]1CCC[C@@H]1c1ccccc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160162164 495899123 /nfs/dbraw/zinc/89/91/23/495899123.db2.gz ZQBQDUMAKIMGID-RTWAWAEBSA-N 1 2 364.493 3.245 20 70 FGIDLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCC(n2ccnn2)CC1 ZINC000160194996 495905117 /nfs/dbraw/zinc/90/51/17/495905117.db2.gz JZANXXQUWCVQRE-UHFFFAOYSA-N 1 2 365.437 3.153 20 70 FGIDLO CCN(CC(=O)Nc1c(F)cccc1F)Cc1c[nH+]c2ccc(C)cn12 ZINC000160255501 495920274 /nfs/dbraw/zinc/92/02/74/495920274.db2.gz COKFSKGTPVRQER-UHFFFAOYSA-N 1 2 358.392 3.382 20 70 FGIDLO O=C(C[C@H]1CSCCS1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000160515135 495981084 /nfs/dbraw/zinc/98/10/84/495981084.db2.gz BEYATICSHMUJGB-ZDUSSCGKSA-N 1 2 357.570 3.306 20 70 FGIDLO COC(=O)CC[N@H+](Cc1cnc2ccccn12)Cc1cccc(F)c1F ZINC000160902548 496064193 /nfs/dbraw/zinc/06/41/93/496064193.db2.gz JHMJGDBYAKLOPX-UHFFFAOYSA-N 1 2 359.376 3.178 20 70 FGIDLO COC(=O)CC[N@@H+](Cc1cnc2ccccn12)Cc1cccc(F)c1F ZINC000160902548 496064197 /nfs/dbraw/zinc/06/41/97/496064197.db2.gz JHMJGDBYAKLOPX-UHFFFAOYSA-N 1 2 359.376 3.178 20 70 FGIDLO COC(=O)CCN(Cc1c[nH+]c2ccccn12)Cc1cccc(F)c1F ZINC000160902548 496064205 /nfs/dbraw/zinc/06/42/05/496064205.db2.gz JHMJGDBYAKLOPX-UHFFFAOYSA-N 1 2 359.376 3.178 20 70 FGIDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cn(C)nc1-c1ccncc1 ZINC000160932059 496070371 /nfs/dbraw/zinc/07/03/71/496070371.db2.gz CRORQWAXLDMRES-UHFFFAOYSA-N 1 2 363.465 3.169 20 70 FGIDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cn(C)nc1-c1ccncc1 ZINC000160932059 496070375 /nfs/dbraw/zinc/07/03/75/496070375.db2.gz CRORQWAXLDMRES-UHFFFAOYSA-N 1 2 363.465 3.169 20 70 FGIDLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3cnc(CC)nc3)CC2)s1 ZINC000161165112 496117788 /nfs/dbraw/zinc/11/77/88/496117788.db2.gz JVQAUVLGRLKTLC-UHFFFAOYSA-N 1 2 359.499 3.013 20 70 FGIDLO C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161215412 496129394 /nfs/dbraw/zinc/12/93/94/496129394.db2.gz QTCZMSFYUMNRHR-QMTHXVAHSA-N 1 2 364.795 3.302 20 70 FGIDLO CCc1ccc([C@@H](C)NC(=O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1 ZINC000161243737 496135789 /nfs/dbraw/zinc/13/57/89/496135789.db2.gz GMDDIQSGKULKCY-FZKQIMNGSA-N 1 2 372.431 3.061 20 70 FGIDLO CCCn1nc(C)c(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1C ZINC000161250415 496136669 /nfs/dbraw/zinc/13/66/69/496136669.db2.gz BYRRJVGUIORKCU-DHZHZOJOSA-N 1 2 366.509 3.381 20 70 FGIDLO O=C(CCc1ccccc1O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161320203 496151645 /nfs/dbraw/zinc/15/16/45/496151645.db2.gz YOOKNLDSAHOTSR-UHFFFAOYSA-N 1 2 358.869 3.323 20 70 FGIDLO Cc1cccc(-c2cncc(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)c2)c1 ZINC000161404173 496169914 /nfs/dbraw/zinc/16/99/14/496169914.db2.gz XBNOSESHBRYINX-FQEVSTJZSA-N 1 2 358.445 3.461 20 70 FGIDLO COc1cc(F)c(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)cc1OC ZINC000161455607 496179114 /nfs/dbraw/zinc/17/91/14/496179114.db2.gz ABNFFPHJWFKAEY-UHFFFAOYSA-N 1 2 372.440 3.109 20 70 FGIDLO CCc1c(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cnn1CC(C)C ZINC000159669931 495784051 /nfs/dbraw/zinc/78/40/51/495784051.db2.gz VTWYGPFLFYLOAF-UHFFFAOYSA-N 1 2 370.497 3.186 20 70 FGIDLO CN(C)c1[nH+]cccc1CNC(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000159756647 495802146 /nfs/dbraw/zinc/80/21/46/495802146.db2.gz SXGFVYVDDWZVII-QGZVFWFLSA-N 1 2 374.872 3.164 20 70 FGIDLO Cc1cc(NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)cc[nH+]1 ZINC000159923343 495841713 /nfs/dbraw/zinc/84/17/13/495841713.db2.gz BHGBQILOIHUMPC-UHFFFAOYSA-N 1 2 358.195 3.246 20 70 FGIDLO CC(C)[C@@H]1C[N@@H+]([C@H](C(N)=O)c2cccc(Br)c2)CCS1 ZINC000159976750 495853984 /nfs/dbraw/zinc/85/39/84/495853984.db2.gz VZMSWSJODLYZIB-KBPBESRZSA-N 1 2 357.317 3.049 20 70 FGIDLO CC(C)[C@@H]1C[N@H+]([C@H](C(N)=O)c2cccc(Br)c2)CCS1 ZINC000159976750 495853987 /nfs/dbraw/zinc/85/39/87/495853987.db2.gz VZMSWSJODLYZIB-KBPBESRZSA-N 1 2 357.317 3.049 20 70 FGIDLO CC(C)Cn1ncc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C1CC1 ZINC000159995903 495859499 /nfs/dbraw/zinc/85/94/99/495859499.db2.gz XRFFIRZTWPDPLO-CRAIPNDOSA-N 1 2 355.486 3.336 20 70 FGIDLO Cc1cc(Cl)ccc1C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000160034419 495868909 /nfs/dbraw/zinc/86/89/09/495868909.db2.gz FCHWWKODZJDXNM-UHFFFAOYSA-N 1 2 368.868 3.254 20 70 FGIDLO C(c1noc(C2CCCCC2)n1)[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000160043430 495871254 /nfs/dbraw/zinc/87/12/54/495871254.db2.gz MNLMDGDGWQIINS-HNNXBMFYSA-N 1 2 356.474 3.035 20 70 FGIDLO C(c1noc(C2CCCCC2)n1)[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000160043430 495871262 /nfs/dbraw/zinc/87/12/62/495871262.db2.gz MNLMDGDGWQIINS-HNNXBMFYSA-N 1 2 356.474 3.035 20 70 FGIDLO CCC[C@@H](NC(=O)[C@@H](C)SCC[NH+]1CCOCC1)c1ccccc1 ZINC000160047779 495871982 /nfs/dbraw/zinc/87/19/82/495871982.db2.gz QHLIUVVMCBTNNW-SJLPKXTDSA-N 1 2 350.528 3.098 20 70 FGIDLO Cc1nc(C)c(-c2csc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)n2)s1 ZINC000160066186 495875863 /nfs/dbraw/zinc/87/58/63/495875863.db2.gz GEVDLBDPOIDMAB-LLVKDONJSA-N 1 2 359.480 3.281 20 70 FGIDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000160109473 495885218 /nfs/dbraw/zinc/88/52/18/495885218.db2.gz ZSPGQJCSHWOSDV-LBPRGKRZSA-N 1 2 354.841 3.165 20 70 FGIDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000161005939 496083234 /nfs/dbraw/zinc/08/32/34/496083234.db2.gz LSXZVICTPGEVRE-UHFFFAOYSA-N 1 2 373.457 3.109 20 70 FGIDLO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2cc(-c3ccccc3)cs2)CC1 ZINC000161025553 496088057 /nfs/dbraw/zinc/08/80/57/496088057.db2.gz UNTDHDUBFWSZIO-IBGZPJMESA-N 1 2 356.491 3.238 20 70 FGIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000161162275 496117910 /nfs/dbraw/zinc/11/79/10/496117910.db2.gz YMBKJFMYVUUTOM-MRXNPFEDSA-N 1 2 366.465 3.058 20 70 FGIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000161162275 496117916 /nfs/dbraw/zinc/11/79/16/496117916.db2.gz YMBKJFMYVUUTOM-MRXNPFEDSA-N 1 2 366.465 3.058 20 70 FGIDLO O=C(Nc1nnc(-c2ccccc2Cl)s1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161369472 496160852 /nfs/dbraw/zinc/16/08/52/496160852.db2.gz USYHYFQAJFZAKX-JTQLQIEISA-N 1 2 359.842 3.256 20 70 FGIDLO COc1ccccc1[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000161504661 496187194 /nfs/dbraw/zinc/18/71/94/496187194.db2.gz CPSPXNBJBZKMHM-UTKZUKDTSA-N 1 2 361.445 3.360 20 70 FGIDLO COc1cccc(C2(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)CCCC2)c1 ZINC000161509500 496188801 /nfs/dbraw/zinc/18/88/01/496188801.db2.gz RXQZUWAWIPQMFR-INIZCTEOSA-N 1 2 353.466 3.082 20 70 FGIDLO CC[C@@H](C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1c(C)noc1C ZINC000159592289 495765653 /nfs/dbraw/zinc/76/56/53/495765653.db2.gz OZLLOPAUDBSBDH-GOSISDBHSA-N 1 2 352.438 3.346 20 70 FGIDLO O=C(C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1)NCc1cccc(Cl)c1 ZINC000159653952 495778503 /nfs/dbraw/zinc/77/85/03/495778503.db2.gz VFWHRPHQRCHWDC-OAQYLSRUSA-N 1 2 370.880 3.130 20 70 FGIDLO O=C(C[N@H+]1CCO[C@]2(CCc3ccccc32)C1)NCc1cccc(Cl)c1 ZINC000159653952 495778507 /nfs/dbraw/zinc/77/85/07/495778507.db2.gz VFWHRPHQRCHWDC-OAQYLSRUSA-N 1 2 370.880 3.130 20 70 FGIDLO CCc1ccc(C(=O)CCC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC000159681017 495785732 /nfs/dbraw/zinc/78/57/32/495785732.db2.gz WDMAJMVHWWIZPQ-UHFFFAOYSA-N 1 2 374.525 3.029 20 70 FGIDLO Cc1cc(S(=O)(=O)Nc2cc(C[NH+](C)C)ccn2)c(Cl)cc1F ZINC000159766727 495805202 /nfs/dbraw/zinc/80/52/02/495805202.db2.gz IXJMHOAWPTZRNJ-UHFFFAOYSA-N 1 2 357.838 3.045 20 70 FGIDLO Cc1cccc([C@@H]2CCCN2C(=O)NCCc2cn3c([nH+]2)CCCC3)n1 ZINC000159784525 495808619 /nfs/dbraw/zinc/80/86/19/495808619.db2.gz VHXISLFHIJCKOQ-SFHVURJKSA-N 1 2 353.470 3.012 20 70 FGIDLO CCN(CC)C(=O)[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccccc1 ZINC000159792911 495810518 /nfs/dbraw/zinc/81/05/18/495810518.db2.gz BIQUWJIXZROMEM-OAHLLOKOSA-N 1 2 368.403 3.138 20 70 FGIDLO O=C(NCc1cccc2ccccc21)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159808735 495814433 /nfs/dbraw/zinc/81/44/33/495814433.db2.gz CONCHUBDNOOMKK-UHFFFAOYSA-N 1 2 360.461 3.262 20 70 FGIDLO CC(C)[C@H](SCC[NH+]1CCOCC1)C(=O)N1CCCc2ccccc21 ZINC000159867382 495827474 /nfs/dbraw/zinc/82/74/74/495827474.db2.gz SJTUNAKNKGSETC-IBGZPJMESA-N 1 2 362.539 3.056 20 70 FGIDLO Cc1cnccc1CCNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000159884558 495832421 /nfs/dbraw/zinc/83/24/21/495832421.db2.gz URNGROCIAOUNFO-INIZCTEOSA-N 1 2 358.511 3.082 20 70 FGIDLO C[C@H](NC(=O)[C@H](C)SCC[NH+]1CCOCC1)c1cccc2ccccc21 ZINC000159956572 495849009 /nfs/dbraw/zinc/84/90/09/495849009.db2.gz GNEGAHHBGXDPSN-IRXDYDNUSA-N 1 2 372.534 3.471 20 70 FGIDLO COC(=O)c1sccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159983625 495855319 /nfs/dbraw/zinc/85/53/19/495855319.db2.gz SYFDPLHNMIIQRU-HNNXBMFYSA-N 1 2 359.451 3.014 20 70 FGIDLO COC(=O)c1sccc1NC(=O)C[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159983625 495855327 /nfs/dbraw/zinc/85/53/27/495855327.db2.gz SYFDPLHNMIIQRU-HNNXBMFYSA-N 1 2 359.451 3.014 20 70 FGIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000160057353 495873613 /nfs/dbraw/zinc/87/36/13/495873613.db2.gz DGQUACAABWLNDF-LSDHHAIUSA-N 1 2 362.495 3.064 20 70 FGIDLO Cc1nc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc(C2CC2)n1 ZINC000160131415 495891588 /nfs/dbraw/zinc/89/15/88/495891588.db2.gz PHSDEQFVAHSXRD-LJQANCHMSA-N 1 2 368.506 3.391 20 70 FGIDLO Cc1cc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)ccc1NC(=O)c1ccco1 ZINC000160327720 495936141 /nfs/dbraw/zinc/93/61/41/495936141.db2.gz QXTYVXPSVFAWBZ-AWEZNQCLSA-N 1 2 364.405 3.238 20 70 FGIDLO Cc1ccc(C(=O)CC[NH+]2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000160354696 495943573 /nfs/dbraw/zinc/94/35/73/495943573.db2.gz ZKDDXXKGQMZHTA-UHFFFAOYSA-N 1 2 350.462 3.334 20 70 FGIDLO Cc1cccc([C@@H](C)CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000160354319 495943627 /nfs/dbraw/zinc/94/36/27/495943627.db2.gz AUOLLBXDEABQBM-SFHVURJKSA-N 1 2 352.482 3.021 20 70 FGIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+]3CCc4sccc4C3)c2c1 ZINC000160443580 495965605 /nfs/dbraw/zinc/96/56/05/495965605.db2.gz ZWWNSUXGSOIHQK-UHFFFAOYSA-N 1 2 354.431 3.257 20 70 FGIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+]3CCc4sccc4C3)c2c1 ZINC000160443580 495965613 /nfs/dbraw/zinc/96/56/13/495965613.db2.gz ZWWNSUXGSOIHQK-UHFFFAOYSA-N 1 2 354.431 3.257 20 70 FGIDLO CC(C)c1ccc(C[NH+]2CCN(CCCS(=O)(=O)C(C)C)CC2)cc1 ZINC000160549711 495989399 /nfs/dbraw/zinc/98/93/99/495989399.db2.gz SROGGTXJMOYHPC-UHFFFAOYSA-N 1 2 366.571 3.141 20 70 FGIDLO CC(C)c1csc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)n1 ZINC000160574674 495995213 /nfs/dbraw/zinc/99/52/13/495995213.db2.gz DEBOVWXLMTUUCN-LJQANCHMSA-N 1 2 373.522 3.081 20 70 FGIDLO OC[C@H]1CCCN(c2cc(N[C@H]3CCO[C@H](c4ccccc4)C3)[nH+]cn2)C1 ZINC000160676387 496017326 /nfs/dbraw/zinc/01/73/26/496017326.db2.gz ODGHJKIDDGYHGQ-WDSOQIARSA-N 1 2 368.481 3.018 20 70 FGIDLO OC[C@H]1CCCN(c2cc(N[C@H]3CCO[C@H](c4ccccc4)C3)nc[nH+]2)C1 ZINC000160676387 496017329 /nfs/dbraw/zinc/01/73/29/496017329.db2.gz ODGHJKIDDGYHGQ-WDSOQIARSA-N 1 2 368.481 3.018 20 70 FGIDLO CCCOc1cccc(CC(=O)NCCn2c(C)[nH+]c3ccccc32)c1 ZINC000160782738 496040855 /nfs/dbraw/zinc/04/08/55/496040855.db2.gz DFKWSTGKARKUIA-UHFFFAOYSA-N 1 2 351.450 3.492 20 70 FGIDLO O=C(CCc1cc2ccccc2[nH]c1=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000160832601 496050957 /nfs/dbraw/zinc/05/09/57/496050957.db2.gz SLASCWWQIWLLRO-UHFFFAOYSA-N 1 2 358.401 3.285 20 70 FGIDLO COC(=O)c1ccccc1C[N@H+](C)CC(=O)Nc1ccccc1SC ZINC000160879690 496060059 /nfs/dbraw/zinc/06/00/59/496060059.db2.gz GETOXFFAGPBRPD-UHFFFAOYSA-N 1 2 358.463 3.266 20 70 FGIDLO COC(=O)c1ccccc1C[N@@H+](C)CC(=O)Nc1ccccc1SC ZINC000160879690 496060062 /nfs/dbraw/zinc/06/00/62/496060062.db2.gz GETOXFFAGPBRPD-UHFFFAOYSA-N 1 2 358.463 3.266 20 70 FGIDLO C[C@H]1CCN(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000160886942 496061106 /nfs/dbraw/zinc/06/11/06/496061106.db2.gz YRURLFPJLUXICN-NBYUQASBSA-N 1 2 368.481 3.396 20 70 FGIDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cccc(OCC)n1 ZINC000160896395 496063361 /nfs/dbraw/zinc/06/33/61/496063361.db2.gz ILEWNFNMJLKKMN-UHFFFAOYSA-N 1 2 357.454 3.340 20 70 FGIDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cccc(OCC)n1 ZINC000160896395 496063369 /nfs/dbraw/zinc/06/33/69/496063369.db2.gz ILEWNFNMJLKKMN-UHFFFAOYSA-N 1 2 357.454 3.340 20 70 FGIDLO CCC[N@H+](Cc1cnc(-c2ccc(C)o2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000161114488 496105902 /nfs/dbraw/zinc/10/59/02/496105902.db2.gz YZHZJLUPQGKGPS-CYBMUJFWSA-N 1 2 354.497 3.111 20 70 FGIDLO CCC[N@@H+](Cc1cnc(-c2ccc(C)o2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000161114488 496105910 /nfs/dbraw/zinc/10/59/10/496105910.db2.gz YZHZJLUPQGKGPS-CYBMUJFWSA-N 1 2 354.497 3.111 20 70 FGIDLO C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000161250179 496137184 /nfs/dbraw/zinc/13/71/84/496137184.db2.gz FVGAJGURRRJXPF-AWEZNQCLSA-N 1 2 351.381 3.403 20 70 FGIDLO Cc1c(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cnn1CC(C)C ZINC000161472247 496183116 /nfs/dbraw/zinc/18/31/16/496183116.db2.gz KIWPXXRTXCSEOE-UHFFFAOYSA-N 1 2 367.453 3.375 20 70 FGIDLO CC(C)[C@H](NC(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)c1ccccc1 ZINC000161479548 496184136 /nfs/dbraw/zinc/18/41/36/496184136.db2.gz LMUSPGJTJYIYMJ-ZWKOTPCHSA-N 1 2 372.431 3.135 20 70 FGIDLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](C)C1(C(=O)OC)CCCC1 ZINC000159389558 495723149 /nfs/dbraw/zinc/72/31/49/495723149.db2.gz IJDMZANLHSFMDT-OAHLLOKOSA-N 1 2 364.511 3.002 20 70 FGIDLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)C1(C(=O)OC)CCCC1 ZINC000159389558 495723154 /nfs/dbraw/zinc/72/31/54/495723154.db2.gz IJDMZANLHSFMDT-OAHLLOKOSA-N 1 2 364.511 3.002 20 70 FGIDLO COc1ccccc1C[N@H+](CC(=O)Nc1cc(C(C)(C)C)nn1C)C1CC1 ZINC000159408314 495726651 /nfs/dbraw/zinc/72/66/51/495726651.db2.gz CNEUXFNIQPJFSR-UHFFFAOYSA-N 1 2 370.497 3.329 20 70 FGIDLO COc1ccccc1C[N@@H+](CC(=O)Nc1cc(C(C)(C)C)nn1C)C1CC1 ZINC000159408314 495726657 /nfs/dbraw/zinc/72/66/57/495726657.db2.gz CNEUXFNIQPJFSR-UHFFFAOYSA-N 1 2 370.497 3.329 20 70 FGIDLO CCn1nc(C)c(C[NH+]2CCN(C(=O)C(C)(C)c3ccccc3)CC2)c1C ZINC000159950056 495847958 /nfs/dbraw/zinc/84/79/58/495847958.db2.gz NOSRPUMSTIJVOH-UHFFFAOYSA-N 1 2 368.525 3.142 20 70 FGIDLO COc1ccc(C[NH+]2CCN(C(=O)C(C)(C)c3ccccc3)CC2)cc1O ZINC000159951241 495849197 /nfs/dbraw/zinc/84/91/97/495849197.db2.gz APKLIHLBFYYTNT-UHFFFAOYSA-N 1 2 368.477 3.023 20 70 FGIDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000160029456 495867129 /nfs/dbraw/zinc/86/71/29/495867129.db2.gz BVGNFHDQIFZXJJ-OAHLLOKOSA-N 1 2 364.424 3.382 20 70 FGIDLO COc1ccccc1[C@H](NC(=O)c1ccc(C(C)C)nc1)c1[nH+]ccn1C ZINC000160319856 495934698 /nfs/dbraw/zinc/93/46/98/495934698.db2.gz KXXMPWDGBUHQSV-IBGZPJMESA-N 1 2 364.449 3.467 20 70 FGIDLO CC(C)c1ccc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cn1 ZINC000160337004 495938716 /nfs/dbraw/zinc/93/87/16/495938716.db2.gz DXBFDOGQPJLYIP-FQEVSTJZSA-N 1 2 353.466 3.008 20 70 FGIDLO Cc1cccc([C@H](C)CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000160354446 495943460 /nfs/dbraw/zinc/94/34/60/495943460.db2.gz AUOLLBXDEABQBM-GOSISDBHSA-N 1 2 352.482 3.021 20 70 FGIDLO OC[C@H]1CCCN(c2cc(N[C@@H]3CCO[C@H](c4ccccc4)C3)[nH+]cn2)C1 ZINC000160676131 496017422 /nfs/dbraw/zinc/01/74/22/496017422.db2.gz ODGHJKIDDGYHGQ-UHOSZYNNSA-N 1 2 368.481 3.018 20 70 FGIDLO OC[C@H]1CCCN(c2cc(N[C@@H]3CCO[C@H](c4ccccc4)C3)nc[nH+]2)C1 ZINC000160676131 496017428 /nfs/dbraw/zinc/01/74/28/496017428.db2.gz ODGHJKIDDGYHGQ-UHOSZYNNSA-N 1 2 368.481 3.018 20 70 FGIDLO Cc1c(C(=O)NCCc2cn3ccccc3[nH+]2)cnn1-c1cc(C)ccc1C ZINC000160688534 496020853 /nfs/dbraw/zinc/02/08/53/496020853.db2.gz CUBQAKZCMXAQHX-UHFFFAOYSA-N 1 2 373.460 3.418 20 70 FGIDLO CCOC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2ccccc2SC)o1 ZINC000160888887 496061094 /nfs/dbraw/zinc/06/10/94/496061094.db2.gz DNTZPHFVCNXIEL-UHFFFAOYSA-N 1 2 362.451 3.249 20 70 FGIDLO CCOC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2SC)o1 ZINC000160888887 496061095 /nfs/dbraw/zinc/06/10/95/496061095.db2.gz DNTZPHFVCNXIEL-UHFFFAOYSA-N 1 2 362.451 3.249 20 70 FGIDLO O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161005788 496083054 /nfs/dbraw/zinc/08/30/54/496083054.db2.gz KGSIJWFTCIRWNW-CZUORRHYSA-N 1 2 361.392 3.241 20 70 FGIDLO CC[N@H+](CC(=O)Nc1nc2c(cccc2OC)s1)Cc1ccccn1 ZINC000161049944 496093580 /nfs/dbraw/zinc/09/35/80/496093580.db2.gz ROIAZXWKZRCSOV-UHFFFAOYSA-N 1 2 356.451 3.161 20 70 FGIDLO CC[N@@H+](CC(=O)Nc1nc2c(cccc2OC)s1)Cc1ccccn1 ZINC000161049944 496093585 /nfs/dbraw/zinc/09/35/85/496093585.db2.gz ROIAZXWKZRCSOV-UHFFFAOYSA-N 1 2 356.451 3.161 20 70 FGIDLO Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161222600 496131052 /nfs/dbraw/zinc/13/10/52/496131052.db2.gz BUENBDWUKKWZEM-INIZCTEOSA-N 1 2 372.900 3.188 20 70 FGIDLO Cc1ccc(NC(=O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1Cl ZINC000161270738 496141718 /nfs/dbraw/zinc/14/17/18/496141718.db2.gz AYJVCYMYDHIPGL-OAHLLOKOSA-N 1 2 364.795 3.222 20 70 FGIDLO CCc1cccc(C)c1NC(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161281096 496143458 /nfs/dbraw/zinc/14/34/58/496143458.db2.gz ZYAVLIKBDLDAIP-QGZVFWFLSA-N 1 2 358.404 3.131 20 70 FGIDLO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161282159 496144303 /nfs/dbraw/zinc/14/43/03/496144303.db2.gz CEGGDZPABWHDMB-CJNGLKHVSA-N 1 2 358.404 3.266 20 70 FGIDLO Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1C ZINC000161437023 496176199 /nfs/dbraw/zinc/17/61/99/496176199.db2.gz PBNRZJMONIYMKA-RDTXWAMCSA-N 1 2 372.431 3.116 20 70 FGIDLO COC(=O)c1cc(C[N@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)c[nH]1 ZINC000161457995 496180681 /nfs/dbraw/zinc/18/06/81/496180681.db2.gz OPEOHBLIZTWNGH-UHFFFAOYSA-N 1 2 370.236 3.179 20 70 FGIDLO COC(=O)c1cc(C[N@@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)c[nH]1 ZINC000161457995 496180685 /nfs/dbraw/zinc/18/06/85/496180685.db2.gz OPEOHBLIZTWNGH-UHFFFAOYSA-N 1 2 370.236 3.179 20 70 FGIDLO CCc1nc(CN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)n[nH]1 ZINC000159471257 495740504 /nfs/dbraw/zinc/74/05/04/495740504.db2.gz RUSFEJDXHBACQD-UHFFFAOYSA-N 1 2 359.477 3.255 20 70 FGIDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1csc([C@H]2CCCO2)n1 ZINC000159668825 495783758 /nfs/dbraw/zinc/78/37/58/495783758.db2.gz KWNREFOKEHYLRF-QGZVFWFLSA-N 1 2 373.478 3.079 20 70 FGIDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000159873038 495829292 /nfs/dbraw/zinc/82/92/92/495829292.db2.gz CGKSGLKRVUCHRK-ZDUSSCGKSA-N 1 2 372.918 3.049 20 70 FGIDLO CC(C)(CNC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccc(F)cc1 ZINC000160048652 495872067 /nfs/dbraw/zinc/87/20/67/495872067.db2.gz XXBDGFIPDCENKI-UHFFFAOYSA-N 1 2 370.472 3.026 20 70 FGIDLO CC1CCN(c2ccc(CNC(=O)NC[C@]3(C)CCCS3)c[nH+]2)CC1 ZINC000160061241 495874863 /nfs/dbraw/zinc/87/48/63/495874863.db2.gz AWIDCRGYOSMNJB-IBGZPJMESA-N 1 2 362.543 3.403 20 70 FGIDLO C[C@@H](COc1ccccc1)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000160206675 495908893 /nfs/dbraw/zinc/90/88/93/495908893.db2.gz JRFXMASEVIKYOH-KXBFYZLASA-N 1 2 367.424 3.480 20 70 FGIDLO O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000160228703 495914564 /nfs/dbraw/zinc/91/45/64/495914564.db2.gz FVYHMLMZRXXJLU-MOPGFXCFSA-N 1 2 374.550 3.385 20 70 FGIDLO Cc1cc(N2CCCC2)ccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160242164 495916417 /nfs/dbraw/zinc/91/64/17/495916417.db2.gz VCEOUOWQNKJINN-QGZVFWFLSA-N 1 2 365.481 3.391 20 70 FGIDLO COc1ccccc1[C@@H](NC(=O)c1ccc(C(C)C)nc1)c1[nH+]ccn1C ZINC000160319973 495935639 /nfs/dbraw/zinc/93/56/39/495935639.db2.gz KXXMPWDGBUHQSV-LJQANCHMSA-N 1 2 364.449 3.467 20 70 FGIDLO O=C(Nc1cccc(OC(F)(F)F)c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160531004 495984131 /nfs/dbraw/zinc/98/41/31/495984131.db2.gz VUOVCOYURGWFIZ-CYBMUJFWSA-N 1 2 366.343 3.381 20 70 FGIDLO O=C(NCc1ccc(Br)cc1Cl)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160755843 496035533 /nfs/dbraw/zinc/03/55/33/496035533.db2.gz QJYYHPNMUVGNNH-SNVBAGLBSA-N 1 2 368.662 3.178 20 70 FGIDLO C[C@H](Cc1cccc(Cl)c1)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160935980 496070605 /nfs/dbraw/zinc/07/06/05/496070605.db2.gz RTHYIFQSZGLJHF-MRXNPFEDSA-N 1 2 357.885 3.258 20 70 FGIDLO O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)[C@H]1CCn2cc[nH+]c2C1 ZINC000161006042 496083078 /nfs/dbraw/zinc/08/30/78/496083078.db2.gz KGSIJWFTCIRWNW-XJKSGUPXSA-N 1 2 361.392 3.241 20 70 FGIDLO CCOCCC1(CNC(=O)NCc2cn3c(cccc3C)[nH+]2)CCCC1 ZINC000161138742 496112128 /nfs/dbraw/zinc/11/21/28/496112128.db2.gz NHBHIMZYNVFPTA-UHFFFAOYSA-N 1 2 358.486 3.429 20 70 FGIDLO Cc1c(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cnn1CCC(C)C ZINC000161269400 496140756 /nfs/dbraw/zinc/14/07/56/496140756.db2.gz JYFPUGQTCNHEME-UHFFFAOYSA-N 1 2 370.501 3.423 20 70 FGIDLO O=C(/C=C/c1nc2ccccc2s1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161271356 496142319 /nfs/dbraw/zinc/14/23/19/496142319.db2.gz DKNPTCDSOVVVIS-VFNNOXKTSA-N 1 2 350.447 3.100 20 70 FGIDLO O=C(c1c(Cl)cccc1Cl)N1CC[NH+](CCOCC2CC2)CC1 ZINC000159507985 495749039 /nfs/dbraw/zinc/74/90/39/495749039.db2.gz DZVHVMFEZYDJGL-UHFFFAOYSA-N 1 2 357.281 3.178 20 70 FGIDLO C[C@@H](NC(=O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1)c1ccccc1 ZINC000159616617 495771372 /nfs/dbraw/zinc/77/13/72/495771372.db2.gz RGHKWXBVFACLJO-VGOFRKELSA-N 1 2 350.462 3.038 20 70 FGIDLO C[C@@H](NC(=O)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1)c1ccccc1 ZINC000159616617 495771377 /nfs/dbraw/zinc/77/13/77/495771377.db2.gz RGHKWXBVFACLJO-VGOFRKELSA-N 1 2 350.462 3.038 20 70 FGIDLO COc1cc([C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)ccc1OC(C)C ZINC000159757626 495802180 /nfs/dbraw/zinc/80/21/80/495802180.db2.gz BANJGXZCHLLCSZ-HOCLYGCPSA-N 1 2 357.454 3.119 20 70 FGIDLO Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000159823848 495817874 /nfs/dbraw/zinc/81/78/74/495817874.db2.gz BWQKNPNWLIWYTK-CQSZACIVSA-N 1 2 351.454 3.081 20 70 FGIDLO O=C(NCCCc1ccc(Cl)cc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159885413 495833128 /nfs/dbraw/zinc/83/31/28/495833128.db2.gz RSMKPAKKCWFYIB-UHFFFAOYSA-N 1 2 372.900 3.195 20 70 FGIDLO C[N@@H+](Cc1noc(C2CCCCC2)n1)C[C@H]1CCCN1c1cccnn1 ZINC000159897040 495835080 /nfs/dbraw/zinc/83/50/80/495835080.db2.gz HFYGFMZQTMSZIO-MRXNPFEDSA-N 1 2 356.474 3.008 20 70 FGIDLO C[N@H+](Cc1noc(C2CCCCC2)n1)C[C@H]1CCCN1c1cccnn1 ZINC000159897040 495835088 /nfs/dbraw/zinc/83/50/88/495835088.db2.gz HFYGFMZQTMSZIO-MRXNPFEDSA-N 1 2 356.474 3.008 20 70 FGIDLO CC1CCN(c2ccc(CNC(=O)NC[C@@]3(C)CCCS3)c[nH+]2)CC1 ZINC000160061374 495874943 /nfs/dbraw/zinc/87/49/43/495874943.db2.gz AWIDCRGYOSMNJB-LJQANCHMSA-N 1 2 362.543 3.403 20 70 FGIDLO C[C@H](NC(=O)[C@H](C)SCC[NH+]1CCOCC1)c1cc2ccccc2o1 ZINC000160057648 495875059 /nfs/dbraw/zinc/87/50/59/495875059.db2.gz DGQUACAABWLNDF-GJZGRUSLSA-N 1 2 362.495 3.064 20 70 FGIDLO CCCOc1ccc([C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000160068737 495876926 /nfs/dbraw/zinc/87/69/26/495876926.db2.gz KDKHATGPLPFTST-ZBFHGGJFSA-N 1 2 357.454 3.120 20 70 FGIDLO C[N@H+](Cc1ccc(F)cc1Cl)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000160074445 495877717 /nfs/dbraw/zinc/87/77/17/495877717.db2.gz YEMWWYYKJDLARI-ZDUSSCGKSA-N 1 2 352.759 3.464 20 70 FGIDLO C[N@@H+](Cc1ccc(F)cc1Cl)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000160074445 495877723 /nfs/dbraw/zinc/87/77/23/495877723.db2.gz YEMWWYYKJDLARI-ZDUSSCGKSA-N 1 2 352.759 3.464 20 70 FGIDLO O=C(NCCn1cc[nH+]c1)c1cc(C(F)(F)F)ccc1Br ZINC000160091817 495881503 /nfs/dbraw/zinc/88/15/03/495881503.db2.gz WCOGYUNGRBKFQX-UHFFFAOYSA-N 1 2 362.149 3.094 20 70 FGIDLO Cc1ccc(OC2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)cc1C ZINC000160093387 495881935 /nfs/dbraw/zinc/88/19/35/495881935.db2.gz SXIHYFREEYZBML-KRWDZBQOSA-N 1 2 353.466 3.132 20 70 FGIDLO Cc1cc(C)cc([C@H](C)NC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000160099175 495882681 /nfs/dbraw/zinc/88/26/81/495882681.db2.gz ZOKOCSRWOUUCIB-SFHVURJKSA-N 1 2 352.482 3.287 20 70 FGIDLO Cc1ccc(C(=O)NC2CC2)cc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000160250449 495918639 /nfs/dbraw/zinc/91/86/39/495918639.db2.gz JVHZINZYBGWDFR-UHFFFAOYSA-N 1 2 350.466 3.495 20 70 FGIDLO CCc1nnc(C[NH2+][C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)[nH]1 ZINC000160320435 495935253 /nfs/dbraw/zinc/93/52/53/495935253.db2.gz FIBIRISEPRLSSB-AWEZNQCLSA-N 1 2 367.453 3.201 20 70 FGIDLO Cc1cc(C)cc(C[C@H](C)NC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000160421193 495959348 /nfs/dbraw/zinc/95/93/48/495959348.db2.gz OEIKIUSSVTVXKI-IBGZPJMESA-N 1 2 366.509 3.157 20 70 FGIDLO CCC(CC)[C@@H](C(=O)N[C@@H]1CCOC2(CCCCC2)C1)[NH+]1CCOCC1 ZINC000160543487 495987920 /nfs/dbraw/zinc/98/79/20/495987920.db2.gz RSTKWDIXNLNPQQ-MOPGFXCFSA-N 1 2 366.546 3.122 20 70 FGIDLO CC[N@H+](Cc1ccc(-c2c(F)cccc2F)o1)[C@H]1CCS(=O)(=O)C1 ZINC000160551120 495989191 /nfs/dbraw/zinc/98/91/91/495989191.db2.gz NJBJXJJTJQIHCD-LBPRGKRZSA-N 1 2 355.406 3.234 20 70 FGIDLO CC[N@@H+](Cc1ccc(-c2c(F)cccc2F)o1)[C@H]1CCS(=O)(=O)C1 ZINC000160551120 495989194 /nfs/dbraw/zinc/98/91/94/495989194.db2.gz NJBJXJJTJQIHCD-LBPRGKRZSA-N 1 2 355.406 3.234 20 70 FGIDLO CC(C)n1nccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160708305 496025788 /nfs/dbraw/zinc/02/57/88/496025788.db2.gz BJIAIRQQUGISAQ-NVXWUHKLSA-N 1 2 363.412 3.309 20 70 FGIDLO CC(C)n1nccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160708305 496025791 /nfs/dbraw/zinc/02/57/91/496025791.db2.gz BJIAIRQQUGISAQ-NVXWUHKLSA-N 1 2 363.412 3.309 20 70 FGIDLO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc(CO)o1 ZINC000160745458 496033278 /nfs/dbraw/zinc/03/32/78/496033278.db2.gz SYPJIQQWQKZYRX-UHFFFAOYSA-N 1 2 356.344 3.040 20 70 FGIDLO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc(CO)o1 ZINC000160745458 496033283 /nfs/dbraw/zinc/03/32/83/496033283.db2.gz SYPJIQQWQKZYRX-UHFFFAOYSA-N 1 2 356.344 3.040 20 70 FGIDLO CCC(=O)Nc1ccc(C)c(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000160839652 496051989 /nfs/dbraw/zinc/05/19/89/496051989.db2.gz MFQLXXFDIZTRHX-MRXNPFEDSA-N 1 2 367.453 3.139 20 70 FGIDLO C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+](C)Cc1cnn(C)c1 ZINC000161063474 496095842 /nfs/dbraw/zinc/09/58/42/496095842.db2.gz KOTHPKXKFPWKIG-GFCCVEGCSA-N 1 2 373.457 3.142 20 70 FGIDLO C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+](C)Cc1cnn(C)c1 ZINC000161063474 496095848 /nfs/dbraw/zinc/09/58/48/496095848.db2.gz KOTHPKXKFPWKIG-GFCCVEGCSA-N 1 2 373.457 3.142 20 70 FGIDLO CC[N@H+](CCCNC(=O)c1cc(OC)c(O)c(OC)c1)c1ccccc1 ZINC000161100633 496104127 /nfs/dbraw/zinc/10/41/27/496104127.db2.gz DISWGAWLEGUIIG-UHFFFAOYSA-N 1 2 358.438 3.056 20 70 FGIDLO CC[N@@H+](CCCNC(=O)c1cc(OC)c(O)c(OC)c1)c1ccccc1 ZINC000161100633 496104137 /nfs/dbraw/zinc/10/41/37/496104137.db2.gz DISWGAWLEGUIIG-UHFFFAOYSA-N 1 2 358.438 3.056 20 70 FGIDLO Cc1cccc(O[C@H]2CCCC[C@@H]2NC(=O)NCCCn2cc[nH+]c2)c1 ZINC000161107617 496105470 /nfs/dbraw/zinc/10/54/70/496105470.db2.gz VFCDMAUGDYAFEJ-OALUTQOASA-N 1 2 356.470 3.271 20 70 FGIDLO CCCCN(CC)C(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161178829 496121435 /nfs/dbraw/zinc/12/14/35/496121435.db2.gz KLWRDCVYBZODBO-DLBZAZTESA-N 1 2 372.431 3.462 20 70 FGIDLO CCCCN(CC)C(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161178829 496121440 /nfs/dbraw/zinc/12/14/40/496121440.db2.gz KLWRDCVYBZODBO-DLBZAZTESA-N 1 2 372.431 3.462 20 70 FGIDLO COc1ccc([C@@H](NC(=O)[C@@H](OC)c2ccccc2)c2[nH+]ccn2C)cc1 ZINC000161237315 496134720 /nfs/dbraw/zinc/13/47/20/496134720.db2.gz FHCKFBKBOHIDAS-MOPGFXCFSA-N 1 2 365.433 3.022 20 70 FGIDLO O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161264622 496141017 /nfs/dbraw/zinc/14/10/17/496141017.db2.gz YSARVKYJAUFSSG-CYBMUJFWSA-N 1 2 363.383 3.312 20 70 FGIDLO CC(C)(c1nnc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)s1)c1ccccc1 ZINC000161468766 496181863 /nfs/dbraw/zinc/18/18/63/496181863.db2.gz KQNPRRPCGQBTRY-CYBMUJFWSA-N 1 2 367.478 3.262 20 70 FGIDLO CCOCCC1(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCC1 ZINC000159373022 495719693 /nfs/dbraw/zinc/71/96/93/495719693.db2.gz ONFXZCYPZWJQDP-UHFFFAOYSA-N 1 2 360.502 3.078 20 70 FGIDLO CCCNC(=O)[C@@H](C)[N@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000159446891 495735229 /nfs/dbraw/zinc/73/52/29/495735229.db2.gz YJMUQPSPKONEKA-LLVKDONJSA-N 1 2 360.285 3.169 20 70 FGIDLO CCCNC(=O)[C@@H](C)[N@@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000159446891 495735233 /nfs/dbraw/zinc/73/52/33/495735233.db2.gz YJMUQPSPKONEKA-LLVKDONJSA-N 1 2 360.285 3.169 20 70 FGIDLO Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000159550698 495757040 /nfs/dbraw/zinc/75/70/40/495757040.db2.gz MOQHBKDVOAETKY-IBGZPJMESA-N 1 2 365.481 3.432 20 70 FGIDLO Brc1ccccc1-c1nnc(SCCn2cc[nH+]c2)o1 ZINC000159680904 495785321 /nfs/dbraw/zinc/78/53/21/495785321.db2.gz XOZROQFYPVSGCQ-UHFFFAOYSA-N 1 2 351.229 3.488 20 70 FGIDLO Brc1cccc(-c2nnc(SCCn3cc[nH+]c3)o2)c1 ZINC000159728559 495796004 /nfs/dbraw/zinc/79/60/04/495796004.db2.gz LUGIBEYZXGKVIT-UHFFFAOYSA-N 1 2 351.229 3.488 20 70 FGIDLO COC(=O)c1ccc2[nH]c3c(c2c1)CN(Cc1c[nH+]c2ccccn12)CC3 ZINC000159847452 495823090 /nfs/dbraw/zinc/82/30/90/495823090.db2.gz SNKZROAQNIVERQ-UHFFFAOYSA-N 1 2 360.417 3.161 20 70 FGIDLO Cc1c[nH]c(=O)n1-c1ccc([C@H](C)[NH2+][C@H](C)c2nc(C(C)C)no2)cc1 ZINC000159863037 495826748 /nfs/dbraw/zinc/82/67/48/495826748.db2.gz HPLJWSXEIQCQGO-UONOGXRCSA-N 1 2 355.442 3.392 20 70 FGIDLO CC[C@@H](C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1c(C)noc1C ZINC000159948549 495847783 /nfs/dbraw/zinc/84/77/83/495847783.db2.gz YFBLVGVBKARDIC-GOSISDBHSA-N 1 2 352.438 3.346 20 70 FGIDLO C[C@@H](O)C[C@@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000160021857 495864246 /nfs/dbraw/zinc/86/42/46/495864246.db2.gz WAESCNJJPFPVQS-UTKZUKDTSA-N 1 2 363.461 3.216 20 70 FGIDLO Cc1cc(C)c(NC(=O)[C@H](C)SCC[NH+]2CCOCC2)c(Cl)c1 ZINC000160054945 495873365 /nfs/dbraw/zinc/87/33/65/495873365.db2.gz ZUOVUPLXIFEEQN-AWEZNQCLSA-N 1 2 356.919 3.349 20 70 FGIDLO O=C(N[C@H]1CCCc2sccc21)c1cccc(C[NH+]2CCOCC2)c1 ZINC000160059048 495874666 /nfs/dbraw/zinc/87/46/66/495874666.db2.gz RRSSUFJWAAFLQR-SFHVURJKSA-N 1 2 356.491 3.388 20 70 FGIDLO CC(=O)Nc1cccc(-n2c(SCCn3cc[nH+]c3)nnc2C2CC2)c1 ZINC000160084234 495880508 /nfs/dbraw/zinc/88/05/08/495880508.db2.gz RXSMFHQLTHMYQS-UHFFFAOYSA-N 1 2 368.466 3.092 20 70 FGIDLO Cc1ccc(C[C@H](C)NC(=O)N2CC[NH+](Cc3ccccn3)CC2)c(C)c1 ZINC000160122877 495889196 /nfs/dbraw/zinc/88/91/96/495889196.db2.gz KEWZMILGMDWTGM-IBGZPJMESA-N 1 2 366.509 3.157 20 70 FGIDLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)NCCC2=CCCC2)c1 ZINC000160144625 495895266 /nfs/dbraw/zinc/89/52/66/495895266.db2.gz ZXWMJHWUTSALLY-UHFFFAOYSA-N 1 2 352.438 3.142 20 70 FGIDLO O=C(NCc1cccc(-c2ccccn2)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000160291396 495928401 /nfs/dbraw/zinc/92/84/01/495928401.db2.gz PXXUKOPBLKQZBJ-UHFFFAOYSA-N 1 2 373.460 3.175 20 70 FGIDLO CC(C)COC(=O)Nc1cccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000160464186 495968508 /nfs/dbraw/zinc/96/85/08/495968508.db2.gz QVFGFAFMCHKPSZ-CQSZACIVSA-N 1 2 356.426 3.289 20 70 FGIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[NH+]3CCC(OCC(C)C)CC3)c2c1 ZINC000160652415 496012931 /nfs/dbraw/zinc/01/29/31/496012931.db2.gz QUDWRNVPXZFZTN-UHFFFAOYSA-N 1 2 372.465 3.274 20 70 FGIDLO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cnn(CC)c1 ZINC000160744138 496033689 /nfs/dbraw/zinc/03/36/89/496033689.db2.gz BAIDYDKVBIANCU-UHFFFAOYSA-N 1 2 354.376 3.171 20 70 FGIDLO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cnn(CC)c1 ZINC000160744138 496033691 /nfs/dbraw/zinc/03/36/91/496033691.db2.gz BAIDYDKVBIANCU-UHFFFAOYSA-N 1 2 354.376 3.171 20 70 FGIDLO COC(=O)c1csc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000160829011 496049733 /nfs/dbraw/zinc/04/97/33/496049733.db2.gz ZKRCJKPLYMOYIM-UHFFFAOYSA-N 1 2 356.407 3.042 20 70 FGIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000161200046 496125523 /nfs/dbraw/zinc/12/55/23/496125523.db2.gz ZXTHYPRDEXSCRX-INIZCTEOSA-N 1 2 369.465 3.496 20 70 FGIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000161200046 496125529 /nfs/dbraw/zinc/12/55/29/496125529.db2.gz ZXTHYPRDEXSCRX-INIZCTEOSA-N 1 2 369.465 3.496 20 70 FGIDLO C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161215066 496127876 /nfs/dbraw/zinc/12/78/76/496127876.db2.gz QTCZMSFYUMNRHR-HZMBPMFUSA-N 1 2 364.795 3.302 20 70 FGIDLO COc1ccc([C@H](NC(=O)[C@@H](OC)c2ccccc2)c2[nH+]ccn2C)cc1 ZINC000161237416 496134952 /nfs/dbraw/zinc/13/49/52/496134952.db2.gz FHCKFBKBOHIDAS-OALUTQOASA-N 1 2 365.433 3.022 20 70 FGIDLO COCCSc1ccc([C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161400416 496168446 /nfs/dbraw/zinc/16/84/46/496168446.db2.gz WMJRCBLTELSVRE-HOCLYGCPSA-N 1 2 359.495 3.061 20 70 FGIDLO Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1C ZINC000161436884 496175322 /nfs/dbraw/zinc/17/53/22/496175322.db2.gz PBNRZJMONIYMKA-KSSFIOAISA-N 1 2 372.431 3.116 20 70 FGIDLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c(C)c1 ZINC000161461260 496180409 /nfs/dbraw/zinc/18/04/09/496180409.db2.gz BLJSUQBSSDFXKG-XJKSGUPXSA-N 1 2 358.404 3.266 20 70 FGIDLO CC[N@H+](Cc1ccc2c(c1)OCO2)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000218058576 497000113 /nfs/dbraw/zinc/00/01/13/497000113.db2.gz VHXCXPHAJIGLHN-HXUWFJFHSA-N 1 2 370.424 3.396 20 70 FGIDLO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000218058576 497000116 /nfs/dbraw/zinc/00/01/16/497000116.db2.gz VHXCXPHAJIGLHN-HXUWFJFHSA-N 1 2 370.424 3.396 20 70 FGIDLO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H](C)C(=O)NC1CC1 ZINC000159387199 495722413 /nfs/dbraw/zinc/72/24/13/495722413.db2.gz GQMDOEHGZFUAAL-NSHDSACASA-N 1 2 372.296 3.311 20 70 FGIDLO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H](C)C(=O)NC1CC1 ZINC000159387199 495722420 /nfs/dbraw/zinc/72/24/20/495722420.db2.gz GQMDOEHGZFUAAL-NSHDSACASA-N 1 2 372.296 3.311 20 70 FGIDLO Cc1noc(C2CC[NH+]([C@H]3CCCN(c4ccccc4Cl)C3=O)CC2)n1 ZINC000159495651 495745720 /nfs/dbraw/zinc/74/57/20/495745720.db2.gz RTHDMEOLIWUKGH-KRWDZBQOSA-N 1 2 374.872 3.406 20 70 FGIDLO O=C(NCc1nc(C2CC2)cs1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000159542155 495756069 /nfs/dbraw/zinc/75/60/69/495756069.db2.gz OOVBWFFHEZYNSB-UHFFFAOYSA-N 1 2 357.483 3.015 20 70 FGIDLO O=C(Nc1cccc(Br)c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159714628 495792828 /nfs/dbraw/zinc/79/28/28/495792828.db2.gz WJXAEKCRADJFDI-AWEZNQCLSA-N 1 2 361.243 3.245 20 70 FGIDLO COc1ccccc1-c1nc(CSCC[NH+]2CCOCC2)cs1 ZINC000159849527 495824163 /nfs/dbraw/zinc/82/41/63/495824163.db2.gz DYCQCDUACMDPFR-UHFFFAOYSA-N 1 2 350.509 3.384 20 70 FGIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000159871061 495829163 /nfs/dbraw/zinc/82/91/63/495829163.db2.gz YYNWZNXISXSJEO-LLVKDONJSA-N 1 2 363.310 3.386 20 70 FGIDLO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000159872907 495829019 /nfs/dbraw/zinc/82/90/19/495829019.db2.gz CGKSGLKRVUCHRK-CYBMUJFWSA-N 1 2 372.918 3.049 20 70 FGIDLO CC(C)[C@@H](SCC[NH+]1CCOCC1)C(=O)Nc1cccc2ncccc21 ZINC000159982119 495855955 /nfs/dbraw/zinc/85/59/55/495855955.db2.gz DYDFKDYMPVXEGJ-LJQANCHMSA-N 1 2 373.522 3.263 20 70 FGIDLO COc1ccc(F)cc1-c1csc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)n1 ZINC000160001449 495860643 /nfs/dbraw/zinc/86/06/43/495860643.db2.gz AHSXGJBIANEDHE-NSHDSACASA-N 1 2 372.425 3.355 20 70 FGIDLO COc1cc(Cl)c(C)cc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160022437 495865817 /nfs/dbraw/zinc/86/58/17/495865817.db2.gz HGOSDFCAFWUCPC-CYBMUJFWSA-N 1 2 360.845 3.452 20 70 FGIDLO CC[C@@H](Cc1ccccc1Br)C(=O)N(C)Cc1[nH+]ccn1C ZINC000160148133 495896950 /nfs/dbraw/zinc/89/69/50/495896950.db2.gz ALTVZWQQHWCABA-ZDUSSCGKSA-N 1 2 364.287 3.410 20 70 FGIDLO Cc1cc(N2CCCC2)ccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160242283 495916484 /nfs/dbraw/zinc/91/64/84/495916484.db2.gz VCEOUOWQNKJINN-KRWDZBQOSA-N 1 2 365.481 3.391 20 70 FGIDLO Cc1cccc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1C ZINC000160249105 495917078 /nfs/dbraw/zinc/91/70/78/495917078.db2.gz NSYOBVZRULYUNR-GOSISDBHSA-N 1 2 352.482 3.287 20 70 FGIDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(OC)c(O)c1 ZINC000160246142 495917292 /nfs/dbraw/zinc/91/72/92/495917292.db2.gz UPXSHNYVTYUZRW-UHFFFAOYSA-N 1 2 350.365 3.140 20 70 FGIDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(OC)c(O)c1 ZINC000160246142 495917298 /nfs/dbraw/zinc/91/72/98/495917298.db2.gz UPXSHNYVTYUZRW-UHFFFAOYSA-N 1 2 350.365 3.140 20 70 FGIDLO CC[NH+](CC)[C@H](CNC(=O)c1cccc(-c2nnc[nH]2)c1)c1ccsc1 ZINC000160361927 495945634 /nfs/dbraw/zinc/94/56/34/495945634.db2.gz SJWTZXZQPQNSMH-QGZVFWFLSA-N 1 2 369.494 3.346 20 70 FGIDLO Cc1cc(C)cc(C[C@@H](C)NC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000160421078 495959261 /nfs/dbraw/zinc/95/92/61/495959261.db2.gz OEIKIUSSVTVXKI-LJQANCHMSA-N 1 2 366.509 3.157 20 70 FGIDLO Cc1ccc(Cc2nc(C(=O)N(C)CCCn3cc[nH+]c3)cs2)cc1 ZINC000160616333 496003400 /nfs/dbraw/zinc/00/34/00/496003400.db2.gz SYAGHOZZFIYBIG-UHFFFAOYSA-N 1 2 354.479 3.401 20 70 FGIDLO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cnc(C2CC2)s1 ZINC000160673245 496017092 /nfs/dbraw/zinc/01/70/92/496017092.db2.gz XCLZCVOOYGFKLH-UHFFFAOYSA-N 1 2 373.478 3.252 20 70 FGIDLO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cnc(C2CC2)s1 ZINC000160673245 496017097 /nfs/dbraw/zinc/01/70/97/496017097.db2.gz XCLZCVOOYGFKLH-UHFFFAOYSA-N 1 2 373.478 3.252 20 70 FGIDLO OC[C@H]1CCCN(c2cc(N[C@H]3CCO[C@@H](c4ccccc4)C3)[nH+]cn2)C1 ZINC000160676508 496017408 /nfs/dbraw/zinc/01/74/08/496017408.db2.gz ODGHJKIDDGYHGQ-YTQUADARSA-N 1 2 368.481 3.018 20 70 FGIDLO OC[C@H]1CCCN(c2cc(N[C@H]3CCO[C@@H](c4ccccc4)C3)nc[nH+]2)C1 ZINC000160676508 496017410 /nfs/dbraw/zinc/01/74/10/496017410.db2.gz ODGHJKIDDGYHGQ-YTQUADARSA-N 1 2 368.481 3.018 20 70 FGIDLO O=C(NCC1(Cc2ccccc2)CC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000160751693 496034478 /nfs/dbraw/zinc/03/44/78/496034478.db2.gz KACMUEGPHZGMRG-LJQANCHMSA-N 1 2 351.450 3.267 20 70 FGIDLO C[N@@H+]1CCc2nc(NC(=O)Cc3cccc(Br)c3)sc2C1 ZINC000160748469 496034687 /nfs/dbraw/zinc/03/46/87/496034687.db2.gz UNEUPHSVPDKPFX-UHFFFAOYSA-N 1 2 366.284 3.075 20 70 FGIDLO C[N@H+]1CCc2nc(NC(=O)Cc3cccc(Br)c3)sc2C1 ZINC000160748469 496034692 /nfs/dbraw/zinc/03/46/92/496034692.db2.gz UNEUPHSVPDKPFX-UHFFFAOYSA-N 1 2 366.284 3.075 20 70 FGIDLO CS[C@H](C)CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160892093 496061642 /nfs/dbraw/zinc/06/16/42/496061642.db2.gz YDBMCSNOCDSNPL-QLFBSQMISA-N 1 2 351.516 3.169 20 70 FGIDLO CS[C@H](C)CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160892093 496061645 /nfs/dbraw/zinc/06/16/45/496061645.db2.gz YDBMCSNOCDSNPL-QLFBSQMISA-N 1 2 351.516 3.169 20 70 FGIDLO Cc1ccc(C(=O)C2CC[NH+](CCCS(=O)(=O)C(C)C)CC2)cc1 ZINC000160955738 496074497 /nfs/dbraw/zinc/07/44/97/496074497.db2.gz QAFCTNRSCVVPFH-UHFFFAOYSA-N 1 2 351.512 3.103 20 70 FGIDLO C[C@@H]1CC(=O)CC[C@@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000161006648 496084495 /nfs/dbraw/zinc/08/44/95/496084495.db2.gz RSJNFMZSBQYAFR-KDOFPFPSSA-N 1 2 355.438 3.042 20 70 FGIDLO O=C(NCc1nc(C2CC2)cs1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000161048419 496093378 /nfs/dbraw/zinc/09/33/78/496093378.db2.gz GCADGQZSVCFIMP-UHFFFAOYSA-N 1 2 371.510 3.405 20 70 FGIDLO O=C(N[C@H]1CCCc2ccc(F)cc21)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161111715 496106029 /nfs/dbraw/zinc/10/60/29/496106029.db2.gz ROZMQOXZNMSCKL-FQEVSTJZSA-N 1 2 368.456 3.126 20 70 FGIDLO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161115192 496106561 /nfs/dbraw/zinc/10/65/61/496106561.db2.gz QYLQUMWPCBTWQO-YPMHNXCESA-N 1 2 352.265 3.500 20 70 FGIDLO COc1ccc(Cl)cc1-c1cc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)n[nH]1 ZINC000161125148 496109055 /nfs/dbraw/zinc/10/90/55/496109055.db2.gz AJXJDGQSCHHMJR-LLVKDONJSA-N 1 2 371.828 3.136 20 70 FGIDLO CC(C)(C)O[C@@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000161474287 496182719 /nfs/dbraw/zinc/18/27/19/496182719.db2.gz DVWFMTWTSNNYBL-PKOBYXMFSA-N 1 2 353.466 3.333 20 70 FGIDLO CC[C@@H](c1nnc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)s1)c1ccccc1 ZINC000161478632 496184234 /nfs/dbraw/zinc/18/42/34/496184234.db2.gz PRRBWVUMMWQEQQ-HUUCEWRRSA-N 1 2 367.478 3.478 20 70 FGIDLO CCCOc1ccc(Br)cc1C[NH2+]Cc1nncn1CC ZINC000218225409 497000866 /nfs/dbraw/zinc/00/08/66/497000866.db2.gz FJZYPMPJRCKFKU-UHFFFAOYSA-N 1 2 353.264 3.139 20 70 FGIDLO CCn1nc(C(C)C)cc1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000216965911 523616018 /nfs/dbraw/zinc/61/60/18/523616018.db2.gz JEOAWIGKDJQUHQ-FLIBITNWSA-N 1 2 366.509 3.498 20 70 FGIDLO CC(C)[C@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000159386312 495721558 /nfs/dbraw/zinc/72/15/58/495721558.db2.gz QCYRPJJYJRQXOG-NRFANRHFSA-N 1 2 351.494 3.241 20 70 FGIDLO CCCNC(=O)[C@H](C)[N@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000159447029 495734719 /nfs/dbraw/zinc/73/47/19/495734719.db2.gz YJMUQPSPKONEKA-NSHDSACASA-N 1 2 360.285 3.169 20 70 FGIDLO CCCNC(=O)[C@H](C)[N@@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000159447029 495734728 /nfs/dbraw/zinc/73/47/28/495734728.db2.gz YJMUQPSPKONEKA-NSHDSACASA-N 1 2 360.285 3.169 20 70 FGIDLO C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000159579136 495762967 /nfs/dbraw/zinc/76/29/67/495762967.db2.gz ULPDSSCHFBFZTR-HOTGVXAUSA-N 1 2 373.522 3.473 20 70 FGIDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCc2cccc(O)c2)CC1 ZINC000159624534 495772761 /nfs/dbraw/zinc/77/27/61/495772761.db2.gz POLRSALOPQNHNI-HNNXBMFYSA-N 1 2 359.495 3.085 20 70 FGIDLO O=C(NC1CC1)[C@H](c1ccccc1)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159655385 495779705 /nfs/dbraw/zinc/77/97/05/495779705.db2.gz YEUKWWXUBGWZAC-JTHBVZDNSA-N 1 2 362.473 3.180 20 70 FGIDLO O=C(NC1CC1)[C@H](c1ccccc1)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159655385 495779709 /nfs/dbraw/zinc/77/97/09/495779709.db2.gz YEUKWWXUBGWZAC-JTHBVZDNSA-N 1 2 362.473 3.180 20 70 FGIDLO O=C(Nc1ncc(Cc2ccccc2F)s1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160079684 495879349 /nfs/dbraw/zinc/87/93/49/495879349.db2.gz VZQDBFDXUPGHPP-CYBMUJFWSA-N 1 2 356.426 3.271 20 70 FGIDLO Cc1cccnc1[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)C(C)C ZINC000160236357 495915741 /nfs/dbraw/zinc/91/57/41/495915741.db2.gz UWWLVZXVNPYLBP-IBGZPJMESA-N 1 2 367.497 3.010 20 70 FGIDLO CCCCn1ncc(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)c1C ZINC000160318178 495934728 /nfs/dbraw/zinc/93/47/28/495934728.db2.gz GSCKVGYRKSQHDQ-SFHVURJKSA-N 1 2 369.444 3.384 20 70 FGIDLO OC[C@@]1([NH2+]Cc2nc3ccc(Br)cc3[nH]2)CCc2ccccc21 ZINC000160895328 496063349 /nfs/dbraw/zinc/06/33/49/496063349.db2.gz VYTARCAIEXIFQB-SFHVURJKSA-N 1 2 372.266 3.249 20 70 FGIDLO COCCC1(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000161000086 496081827 /nfs/dbraw/zinc/08/18/27/496081827.db2.gz SUNAUOWQUPYYKM-RBUKOAKNSA-N 1 2 368.481 3.228 20 70 FGIDLO C[C@H]1CCc2ccccc2[C@@H]1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161025129 496087509 /nfs/dbraw/zinc/08/75/09/496087509.db2.gz DKAIODXKJIDUEO-LAUBAEHRSA-N 1 2 364.493 3.232 20 70 FGIDLO COc1cc(CCC(=O)N2CC[NH+](Cc3cccnc3)CC2)ccc1Cl ZINC000161157899 496116654 /nfs/dbraw/zinc/11/66/54/496116654.db2.gz DAYRVKNTOSGLQL-UHFFFAOYSA-N 1 2 373.884 3.021 20 70 FGIDLO CCc1ncc(NC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cn1 ZINC000161188679 496123246 /nfs/dbraw/zinc/12/32/46/496123246.db2.gz KNEUSAAUTAQISN-UHFFFAOYSA-N 1 2 359.861 3.042 20 70 FGIDLO CCc1ccc([C@@H](C)NC(=O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1 ZINC000161243489 496135676 /nfs/dbraw/zinc/13/56/76/496135676.db2.gz GMDDIQSGKULKCY-ACJLOTCBSA-N 1 2 372.431 3.061 20 70 FGIDLO O=C(CSc1nc2ccccc2s1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161255075 496138142 /nfs/dbraw/zinc/13/81/42/496138142.db2.gz SXEIXCCOTKYQJF-ZDUSSCGKSA-N 1 2 370.503 3.179 20 70 FGIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Oc2cccnc2)cc1 ZINC000161402298 496169762 /nfs/dbraw/zinc/16/97/62/496169762.db2.gz DVBYTZOYWSTYQI-QGZVFWFLSA-N 1 2 360.417 3.278 20 70 FGIDLO CC(C)CN(C)c1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000161431793 496175898 /nfs/dbraw/zinc/17/58/98/496175898.db2.gz KWSIMJDKKGPIFO-SFHVURJKSA-N 1 2 352.482 3.183 20 70 FGIDLO CCN(C(=O)[C@@H](C)[NH+]1CCC([C@H](O)C(F)(F)F)CC1)c1ccccc1 ZINC000161439448 496176910 /nfs/dbraw/zinc/17/69/10/496176910.db2.gz VMYXBOYNKVGVKP-CJNGLKHVSA-N 1 2 358.404 3.063 20 70 FGIDLO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cnc2cnccn12 ZINC000161438718 496177445 /nfs/dbraw/zinc/17/74/45/496177445.db2.gz XPUKSZPIFDBART-UHFFFAOYSA-N 1 2 364.236 3.107 20 70 FGIDLO C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cnc2cnccn12 ZINC000161438718 496177451 /nfs/dbraw/zinc/17/74/51/496177451.db2.gz XPUKSZPIFDBART-UHFFFAOYSA-N 1 2 364.236 3.107 20 70 FGIDLO CC[C@@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cnnn1C ZINC000161501502 496187581 /nfs/dbraw/zinc/18/75/81/496187581.db2.gz OPPNKPAXZCUDFM-GFCCVEGCSA-N 1 2 369.391 3.073 20 70 FGIDLO CC[C@@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cnnn1C ZINC000161501502 496187583 /nfs/dbraw/zinc/18/75/83/496187583.db2.gz OPPNKPAXZCUDFM-GFCCVEGCSA-N 1 2 369.391 3.073 20 70 FGIDLO O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)C(=O)N1CCC2(CCC2)C1 ZINC000159407898 495726402 /nfs/dbraw/zinc/72/64/02/495726402.db2.gz UIGINSYNDPWTCT-UHFFFAOYSA-N 1 2 351.406 3.215 20 70 FGIDLO CCNc1ncc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)s1 ZINC000159420402 495728358 /nfs/dbraw/zinc/72/83/58/495728358.db2.gz SUWHIGZFWVWBIJ-LBPRGKRZSA-N 1 2 350.513 3.155 20 70 FGIDLO C[C@@H](c1ccccc1Br)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000159437425 495733823 /nfs/dbraw/zinc/73/38/23/495733823.db2.gz ZRDXRRVPWWNPIF-STQMWFEESA-N 1 2 362.271 3.428 20 70 FGIDLO Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@]1(C)CCCS1)c1cccc(F)c1 ZINC000159474905 495739818 /nfs/dbraw/zinc/73/98/18/495739818.db2.gz SGNGQRSTFHGIOH-YJBOKZPZSA-N 1 2 362.474 3.234 20 70 FGIDLO O=C(CCc1nc(C2CCCC2)no1)NCc1ccccc1-n1cc[nH+]c1 ZINC000159583672 495764270 /nfs/dbraw/zinc/76/42/70/495764270.db2.gz LJHLXHHYUWCFAS-UHFFFAOYSA-N 1 2 365.437 3.162 20 70 FGIDLO C[C@@H]1CC(NC(=O)NCc2[nH+]ccn2CCCc2ccccc2)C[C@@H](C)O1 ZINC000159698126 495789621 /nfs/dbraw/zinc/78/96/21/495789621.db2.gz KYSBKJKIIHHQNP-IAGOWNOFSA-N 1 2 370.497 3.271 20 70 FGIDLO COc1ccsc1S(=O)(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000159737388 495797747 /nfs/dbraw/zinc/79/77/47/495797747.db2.gz GWDSURORKWMBDQ-UHFFFAOYSA-N 1 2 366.508 3.196 20 70 FGIDLO COc1ccccc1-c1csc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)n1 ZINC000159848109 495822805 /nfs/dbraw/zinc/82/28/05/495822805.db2.gz HYLZUIAEJKSPCP-LBPRGKRZSA-N 1 2 354.435 3.216 20 70 FGIDLO Cc1c[nH]c(=O)n1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2nc(C3CC3)no2)cc1 ZINC000159877168 495830409 /nfs/dbraw/zinc/83/04/09/495830409.db2.gz ILTSTRBEDLKBHP-OLZOCXBDSA-N 1 2 353.426 3.146 20 70 FGIDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000159992786 495858415 /nfs/dbraw/zinc/85/84/15/495858415.db2.gz VFCBRPQGNFOEDD-WBVHZDCISA-N 1 2 357.404 3.380 20 70 FGIDLO O=C(Nc1cccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1)c1ccccc1 ZINC000160079130 495879481 /nfs/dbraw/zinc/87/94/81/495879481.db2.gz WVTJVCTXLDWOCZ-INIZCTEOSA-N 1 2 360.417 3.337 20 70 FGIDLO CCc1ccc(C[N@@H+](CC)Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)o1 ZINC000160227623 495913544 /nfs/dbraw/zinc/91/35/44/495913544.db2.gz GVAUMJNFDHTXFQ-UHFFFAOYSA-N 1 2 371.437 3.118 20 70 FGIDLO CCc1ccc(C[N@H+](CC)Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)o1 ZINC000160227623 495913550 /nfs/dbraw/zinc/91/35/50/495913550.db2.gz GVAUMJNFDHTXFQ-UHFFFAOYSA-N 1 2 371.437 3.118 20 70 FGIDLO CCN(CC(=O)Nc1c(F)cccc1F)Cc1c[nH+]c2c(C)cccn12 ZINC000160249100 495917589 /nfs/dbraw/zinc/91/75/89/495917589.db2.gz CPOLIEHLWOLKTI-UHFFFAOYSA-N 1 2 358.392 3.382 20 70 FGIDLO CCc1nnc(C[NH2+][C@H](C)c2ccc(OCc3ccncc3)c(OC)c2)[nH]1 ZINC000160320563 495935629 /nfs/dbraw/zinc/93/56/29/495935629.db2.gz FIBIRISEPRLSSB-CQSZACIVSA-N 1 2 367.453 3.201 20 70 FGIDLO O=C(Nc1ccnn1Cc1ccccc1F)N1CCC(n2cc[nH+]c2)CC1 ZINC000160487586 495973536 /nfs/dbraw/zinc/97/35/36/495973536.db2.gz WORLXCPWIXATGZ-UHFFFAOYSA-N 1 2 368.416 3.136 20 70 FGIDLO CCc1nn(C)c(CC)c1C[N@H+](CC)CC(=O)Nc1cccc(OC)c1 ZINC000160652469 496012860 /nfs/dbraw/zinc/01/28/60/496012860.db2.gz OOCVQWDCHSYRSC-UHFFFAOYSA-N 1 2 358.486 3.014 20 70 FGIDLO CCc1nn(C)c(CC)c1C[N@@H+](CC)CC(=O)Nc1cccc(OC)c1 ZINC000160652469 496012862 /nfs/dbraw/zinc/01/28/62/496012862.db2.gz OOCVQWDCHSYRSC-UHFFFAOYSA-N 1 2 358.486 3.014 20 70 FGIDLO CCOC(=O)c1c(C)oc2nc(C[N@H+](C)[C@H](C)c3ccco3)nc(N)c21 ZINC000160721653 496027619 /nfs/dbraw/zinc/02/76/19/496027619.db2.gz DCRRZWMBAPSFDA-SNVBAGLBSA-N 1 2 358.398 3.076 20 70 FGIDLO CCOC(=O)c1c(C)oc2nc(C[N@@H+](C)[C@H](C)c3ccco3)nc(N)c21 ZINC000160721653 496027626 /nfs/dbraw/zinc/02/76/26/496027626.db2.gz DCRRZWMBAPSFDA-SNVBAGLBSA-N 1 2 358.398 3.076 20 70 FGIDLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCCN(c2ccccc2)CC1 ZINC000160733847 496030887 /nfs/dbraw/zinc/03/08/87/496030887.db2.gz OAYQREMPECCJFK-UHFFFAOYSA-N 1 2 350.470 3.298 20 70 FGIDLO CCCC[N@H+](Cc1cccc2c1OC(C)(C)C2)[C@@H]1CCS(=O)(=O)C1 ZINC000160768127 496039009 /nfs/dbraw/zinc/03/90/09/496039009.db2.gz MMFNEIMZYFDZSR-QGZVFWFLSA-N 1 2 351.512 3.189 20 70 FGIDLO CCCC[N@@H+](Cc1cccc2c1OC(C)(C)C2)[C@@H]1CCS(=O)(=O)C1 ZINC000160768127 496039013 /nfs/dbraw/zinc/03/90/13/496039013.db2.gz MMFNEIMZYFDZSR-QGZVFWFLSA-N 1 2 351.512 3.189 20 70 FGIDLO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCN(c4cnccn4)CC3)o2)cc1C ZINC000160777796 496040086 /nfs/dbraw/zinc/04/00/86/496040086.db2.gz ZGSGLKYTWUBFNV-MRXNPFEDSA-N 1 2 364.453 3.027 20 70 FGIDLO CCCC[N@H+](Cc1ccccc1OCC1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000160783883 496041195 /nfs/dbraw/zinc/04/11/95/496041195.db2.gz XPUCTILBZFXGHT-GOSISDBHSA-N 1 2 351.512 3.265 20 70 FGIDLO CCCC[N@@H+](Cc1ccccc1OCC1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000160783883 496041199 /nfs/dbraw/zinc/04/11/99/496041199.db2.gz XPUCTILBZFXGHT-GOSISDBHSA-N 1 2 351.512 3.265 20 70 FGIDLO O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000160807066 496046812 /nfs/dbraw/zinc/04/68/12/496046812.db2.gz MJVSJCNKNTZYJB-MJGOQNOKSA-N 1 2 354.454 3.150 20 70 FGIDLO CSc1ccccc1NC(=O)CN(C)Cc1c[nH+]c2c(C)cccn12 ZINC000160885989 496061047 /nfs/dbraw/zinc/06/10/47/496061047.db2.gz HCDQTZJTPVCBAW-UHFFFAOYSA-N 1 2 354.479 3.435 20 70 FGIDLO CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000161138061 496112621 /nfs/dbraw/zinc/11/26/21/496112621.db2.gz UIZCCXALSSHFGD-AWEZNQCLSA-N 1 2 373.844 3.094 20 70 FGIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000161180524 496121495 /nfs/dbraw/zinc/12/14/95/496121495.db2.gz HNEVQGHSAJHPRN-OAHLLOKOSA-N 1 2 355.438 3.026 20 70 FGIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000161180524 496121499 /nfs/dbraw/zinc/12/14/99/496121499.db2.gz HNEVQGHSAJHPRN-OAHLLOKOSA-N 1 2 355.438 3.026 20 70 FGIDLO C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161215164 496128375 /nfs/dbraw/zinc/12/83/75/496128375.db2.gz QTCZMSFYUMNRHR-YGRLFVJLSA-N 1 2 364.795 3.302 20 70 FGIDLO Cn1cnnc1[C@@H]1CCCN1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000161215597 496129186 /nfs/dbraw/zinc/12/91/86/496129186.db2.gz POFSULKCSYGSNY-KRWDZBQOSA-N 1 2 364.409 3.371 20 70 FGIDLO Cc1cc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)ccc1Cl ZINC000161245646 496137212 /nfs/dbraw/zinc/13/72/12/496137212.db2.gz CDHCLUKUAQLWHO-UHFFFAOYSA-N 1 2 358.873 3.071 20 70 FGIDLO Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000161277131 496142922 /nfs/dbraw/zinc/14/29/22/496142922.db2.gz HZUITVOEJQNZLI-BBRMVZONSA-N 1 2 358.404 3.266 20 70 FGIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc(-c2cccc(Cl)c2)no1 ZINC000161350404 496157779 /nfs/dbraw/zinc/15/77/79/496157779.db2.gz KDIXAWZBUXGFQQ-HNNXBMFYSA-N 1 2 368.824 3.399 20 70 FGIDLO CN(C)C(=O)c1ccc(C[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)(C)C)[nH]1 ZINC000161476775 496183228 /nfs/dbraw/zinc/18/32/28/496183228.db2.gz MIHOJNXBNLKZAM-UHFFFAOYSA-N 1 2 374.460 3.095 20 70 FGIDLO CN(C)C(=O)c1ccc(C[N@@H+](CC(=O)Nc2ccc(F)cc2)C(C)(C)C)[nH]1 ZINC000161476775 496183231 /nfs/dbraw/zinc/18/32/31/496183231.db2.gz MIHOJNXBNLKZAM-UHFFFAOYSA-N 1 2 374.460 3.095 20 70 FGIDLO Cc1cccc([C@H]2CCCN2C(=O)NCc2cc[nH+]c(N3CCCC3)c2)n1 ZINC000159382057 495720434 /nfs/dbraw/zinc/72/04/34/495720434.db2.gz QKUJVICQSOWGDT-LJQANCHMSA-N 1 2 365.481 3.432 20 70 FGIDLO CC(=O)c1ccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)nc1C ZINC000159700043 495790539 /nfs/dbraw/zinc/79/05/39/495790539.db2.gz NDYQCLOJLVXXQT-UHFFFAOYSA-N 1 2 358.405 3.334 20 70 FGIDLO COc1cc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)ccc1F ZINC000159717959 495793668 /nfs/dbraw/zinc/79/36/68/495793668.db2.gz ANMKAKSMCGYNRN-AWEZNQCLSA-N 1 2 360.404 3.492 20 70 FGIDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1ccnn1Cc1cccc2ccccc21 ZINC000159765297 495804759 /nfs/dbraw/zinc/80/47/59/495804759.db2.gz DCOYGLSWMFSAPK-UHFFFAOYSA-N 1 2 374.448 3.482 20 70 FGIDLO Cc1cc(-c2noc([C@@H](C)SCC[NH+]3CCOCC3)n2)ccc1F ZINC000159816760 495815737 /nfs/dbraw/zinc/81/57/37/495815737.db2.gz RKFCBGZZLRYTGH-CYBMUJFWSA-N 1 2 351.447 3.311 20 70 FGIDLO Cc1c[nH]c(=O)n1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2nc(C(C)C)no2)cc1 ZINC000159862621 495826563 /nfs/dbraw/zinc/82/65/63/495826563.db2.gz HPLJWSXEIQCQGO-KGLIPLIRSA-N 1 2 355.442 3.392 20 70 FGIDLO CCN(C(=O)CSCC[NH+]1CCOCC1)c1cccc2ccccc21 ZINC000159970643 495852864 /nfs/dbraw/zinc/85/28/64/495852864.db2.gz BJLDBWADVWHVQB-UHFFFAOYSA-N 1 2 358.507 3.258 20 70 FGIDLO C[N@H+](Cc1ccc(F)cc1Cl)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000160074280 495877741 /nfs/dbraw/zinc/87/77/41/495877741.db2.gz YEMWWYYKJDLARI-CYBMUJFWSA-N 1 2 352.759 3.464 20 70 FGIDLO C[N@@H+](Cc1ccc(F)cc1Cl)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000160074280 495877748 /nfs/dbraw/zinc/87/77/48/495877748.db2.gz YEMWWYYKJDLARI-CYBMUJFWSA-N 1 2 352.759 3.464 20 70 FGIDLO CS[C@H](C)CC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000160071993 495878194 /nfs/dbraw/zinc/87/81/94/495878194.db2.gz POCRFHIECBYSOP-OAHLLOKOSA-N 1 2 355.507 3.402 20 70 FGIDLO Cc1ccc(C)c(C(=O)CCC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c1 ZINC000160319446 495935076 /nfs/dbraw/zinc/93/50/76/495935076.db2.gz JYGXOFDUDUSFBD-UHFFFAOYSA-N 1 2 374.525 3.083 20 70 FGIDLO Cc1cccc2nc(CNC(=O)[C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)[nH]c21 ZINC000160319990 495935306 /nfs/dbraw/zinc/93/53/06/495935306.db2.gz YUDOFABRXUZIJR-GOSISDBHSA-N 1 2 366.440 3.291 20 70 FGIDLO Cc1cccc2nc(CNC(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)[nH]c21 ZINC000160319990 495935309 /nfs/dbraw/zinc/93/53/09/495935309.db2.gz YUDOFABRXUZIJR-GOSISDBHSA-N 1 2 366.440 3.291 20 70 FGIDLO Cc1cccc2nc(CNC(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)[nH]c21 ZINC000160319840 495935369 /nfs/dbraw/zinc/93/53/69/495935369.db2.gz YUDOFABRXUZIJR-SFHVURJKSA-N 1 2 366.440 3.291 20 70 FGIDLO Cc1cccc2nc(CNC(=O)[C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)[nH]c21 ZINC000160319840 495935374 /nfs/dbraw/zinc/93/53/74/495935374.db2.gz YUDOFABRXUZIJR-SFHVURJKSA-N 1 2 366.440 3.291 20 70 FGIDLO COc1ccc([C@H](NC(=O)c2ccc(C(C)C)nc2)c2[nH+]ccn2C)cc1 ZINC000160335545 495938426 /nfs/dbraw/zinc/93/84/26/495938426.db2.gz PPYHBCTWDAVXJB-IBGZPJMESA-N 1 2 364.449 3.467 20 70 FGIDLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(C)n2)n(C(C)(C)C)n1 ZINC000160392348 495952337 /nfs/dbraw/zinc/95/23/37/495952337.db2.gz FFOHNZDCRCCGAA-KRWDZBQOSA-N 1 2 355.486 3.426 20 70 FGIDLO Cc1cc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(C)n2)n(C(C)(C)C)n1 ZINC000160392348 495952344 /nfs/dbraw/zinc/95/23/44/495952344.db2.gz FFOHNZDCRCCGAA-KRWDZBQOSA-N 1 2 355.486 3.426 20 70 FGIDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cnc(C(F)(F)F)nc2)CC1 ZINC000160584302 495996998 /nfs/dbraw/zinc/99/69/98/495996998.db2.gz NETKSCDLYVKXPP-LLVKDONJSA-N 1 2 370.400 3.076 20 70 FGIDLO CCCC[N@H+](Cc1cccc(OC)c1OC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000160783352 496041151 /nfs/dbraw/zinc/04/11/51/496041151.db2.gz SPRDRTSLLOQPQZ-QGZVFWFLSA-N 1 2 369.527 3.272 20 70 FGIDLO CCCC[N@@H+](Cc1cccc(OC)c1OC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000160783352 496041154 /nfs/dbraw/zinc/04/11/54/496041154.db2.gz SPRDRTSLLOQPQZ-QGZVFWFLSA-N 1 2 369.527 3.272 20 70 FGIDLO C[C@H](CC(=O)c1cccs1)NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000160945165 496072331 /nfs/dbraw/zinc/07/23/31/496072331.db2.gz INWMKXDZGBSSGK-HUUCEWRRSA-N 1 2 356.491 3.272 20 70 FGIDLO C[C@H](CC(=O)c1cccs1)NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000160945165 496072338 /nfs/dbraw/zinc/07/23/38/496072338.db2.gz INWMKXDZGBSSGK-HUUCEWRRSA-N 1 2 356.491 3.272 20 70 FGIDLO CCC[N@H+](Cc1ccccc1OCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000161092785 496100952 /nfs/dbraw/zinc/10/09/52/496100952.db2.gz YNRPGDCVHSOGBS-LJQANCHMSA-N 1 2 374.506 3.060 20 70 FGIDLO CCC[N@@H+](Cc1ccccc1OCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000161092785 496100956 /nfs/dbraw/zinc/10/09/56/496100956.db2.gz YNRPGDCVHSOGBS-LJQANCHMSA-N 1 2 374.506 3.060 20 70 FGIDLO O=C(NCCNc1ccc2ccccc2[nH+]1)Nc1cccc2c1OCCO2 ZINC000161154941 496115693 /nfs/dbraw/zinc/11/56/93/496115693.db2.gz KLXCTOPWKYPLDN-UHFFFAOYSA-N 1 2 364.405 3.240 20 70 FGIDLO O=C(Nc1ccnn1[C@H]1CCCc2ccccc21)[C@H]1CCn2cc[nH+]c2C1 ZINC000161216947 496129818 /nfs/dbraw/zinc/12/98/18/496129818.db2.gz HMEXHFMCQJNYOG-WMZOPIPTSA-N 1 2 361.449 3.206 20 70 FGIDLO COc1ccc([C@H](NC(=O)[C@H](OC)c2ccccc2)c2[nH+]ccn2C)cc1 ZINC000161237200 496134510 /nfs/dbraw/zinc/13/45/10/496134510.db2.gz FHCKFBKBOHIDAS-RBUKOAKNSA-N 1 2 365.433 3.022 20 70 FGIDLO COCc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161306119 496149265 /nfs/dbraw/zinc/14/92/65/496149265.db2.gz FDXAQWJDQOQIBV-UHFFFAOYSA-N 1 2 358.869 3.444 20 70 FGIDLO Cc1ccc(F)c(OCC(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000161334423 496153943 /nfs/dbraw/zinc/15/39/43/496153943.db2.gz VWKDWYGGFPFOTK-UHFFFAOYSA-N 1 2 369.396 3.427 20 70 FGIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(N2CCCCC2)cc1 ZINC000161403168 496169393 /nfs/dbraw/zinc/16/93/93/496169393.db2.gz HRGWUNLCLMHBMS-GOSISDBHSA-N 1 2 350.466 3.081 20 70 FGIDLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c(C)c1 ZINC000161460923 496180707 /nfs/dbraw/zinc/18/07/07/496180707.db2.gz BLJSUQBSSDFXKG-CJNGLKHVSA-N 1 2 358.404 3.266 20 70 FGIDLO O=C(Nc1nc(Sc2ccccc2)ns1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161487455 496185611 /nfs/dbraw/zinc/18/56/11/496185611.db2.gz FGRPDHZJBKUQQD-LLVKDONJSA-N 1 2 357.464 3.087 20 70 FGIDLO C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161497893 496187285 /nfs/dbraw/zinc/18/72/85/496187285.db2.gz WCLXMBKVMRXUSP-BLLLJJGKSA-N 1 2 369.387 3.357 20 70 FGIDLO CSCC[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000218396315 497002059 /nfs/dbraw/zinc/00/20/59/497002059.db2.gz LRUWOAXEZBIOSV-UHFFFAOYSA-N 1 2 355.095 3.370 20 70 FGIDLO O=C(NCc1[nH+]ccn1CCCc1ccccc1)NCc1ncccc1F ZINC000159522773 495751647 /nfs/dbraw/zinc/75/16/47/495751647.db2.gz QSIPMFORCXCKNR-UHFFFAOYSA-N 1 2 367.428 3.049 20 70 FGIDLO COc1ccc([C@@H](NC(=O)N2CCC3(CCC3)C2)c2[nH+]ccn2C)cc1 ZINC000159534098 495754028 /nfs/dbraw/zinc/75/40/28/495754028.db2.gz MMJRCCARJGBPSC-QGZVFWFLSA-N 1 2 354.454 3.104 20 70 FGIDLO COC(=O)c1cc(Br)cc(NCc2[nH+]ccn2C)c1Cl ZINC000159538622 495754892 /nfs/dbraw/zinc/75/48/92/495754892.db2.gz PRPDSLYZCHEVFX-UHFFFAOYSA-N 1 2 358.623 3.235 20 70 FGIDLO C[C@H](Cc1ccc(O)cc1)NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000159579497 495763243 /nfs/dbraw/zinc/76/32/43/495763243.db2.gz ULPDSSCHFBFZTR-HZPDHXFCSA-N 1 2 373.522 3.473 20 70 FGIDLO CC(=O)N(c1nc(C[N@@H+](C)Cc2cccc(N(C)C)c2)cs1)C1CC1 ZINC000159852881 495824218 /nfs/dbraw/zinc/82/42/18/495824218.db2.gz DQSWXNVTXWIWFA-UHFFFAOYSA-N 1 2 358.511 3.356 20 70 FGIDLO CC(=O)N(c1nc(C[N@H+](C)Cc2cccc(N(C)C)c2)cs1)C1CC1 ZINC000159852881 495824221 /nfs/dbraw/zinc/82/42/21/495824221.db2.gz DQSWXNVTXWIWFA-UHFFFAOYSA-N 1 2 358.511 3.356 20 70 FGIDLO O=C(Nc1n[nH]c(-c2cccc3ccccc32)n1)[C@H]1CCn2cc[nH+]c2C1 ZINC000159854655 495824806 /nfs/dbraw/zinc/82/48/06/495824806.db2.gz QBDJHDGHAKKMPG-AWEZNQCLSA-N 1 2 358.405 3.023 20 70 FGIDLO O=C(Nc1ccc(N2CCCCC2)cc1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159867937 495827247 /nfs/dbraw/zinc/82/72/47/495827247.db2.gz PMGWMVIRLVHIEB-SFHVURJKSA-N 1 2 365.481 3.472 20 70 FGIDLO C[C@@H](NC(=O)[C@@H](C)SCC[NH+]1CCOCC1)c1ccc2ccccc2c1 ZINC000159912585 495838775 /nfs/dbraw/zinc/83/87/75/495838775.db2.gz YPROVQBGCABKBK-IAGOWNOFSA-N 1 2 372.534 3.471 20 70 FGIDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)C(C)C)CC1 ZINC000159913759 495839677 /nfs/dbraw/zinc/83/96/77/495839677.db2.gz QSBCVQJWYTVWPE-HXUWFJFHSA-N 1 2 369.509 3.451 20 70 FGIDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000159992385 495858005 /nfs/dbraw/zinc/85/80/05/495858005.db2.gz ODWFOIJAUSDLOY-HZPDHXFCSA-N 1 2 357.404 3.380 20 70 FGIDLO CC(C)Cc1ccc([C@@H](C)NC(=O)CSCC[NH+]2CCOCC2)cc1 ZINC000160010879 495863713 /nfs/dbraw/zinc/86/37/13/495863713.db2.gz RAOMOJAAIBDRFE-QGZVFWFLSA-N 1 2 364.555 3.128 20 70 FGIDLO CCCCCc1nnc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000160111209 495886493 /nfs/dbraw/zinc/88/64/93/495886493.db2.gz HCUCIBOPEHZCML-ZDUSSCGKSA-N 1 2 360.487 3.066 20 70 FGIDLO CC[C@H](OC1CCCCC1)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000160251838 495918444 /nfs/dbraw/zinc/91/84/44/495918444.db2.gz MKIQLQCLMBZNSN-RTWAWAEBSA-N 1 2 374.525 3.304 20 70 FGIDLO C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160309317 495931482 /nfs/dbraw/zinc/93/14/82/495931482.db2.gz KVBSKVPLYKHADM-HZPDHXFCSA-N 1 2 355.482 3.327 20 70 FGIDLO O=C(NCCCNC(=O)C1CCC1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000160316207 495934202 /nfs/dbraw/zinc/93/42/02/495934202.db2.gz XSUNIRBEKSRWRI-UHFFFAOYSA-N 1 2 368.437 3.302 20 70 FGIDLO O=C(C[C@H]1CSCCS1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000160646474 496010404 /nfs/dbraw/zinc/01/04/04/496010404.db2.gz YEQMUJBTJXICMP-AWEZNQCLSA-N 1 2 363.508 3.139 20 70 FGIDLO COc1cccc(C2(NC(=O)NC3CCN(c4cccc[nH+]4)CC3)CC2)c1 ZINC000160676934 496017364 /nfs/dbraw/zinc/01/73/64/496017364.db2.gz FZFQNTKMXFIAKJ-UHFFFAOYSA-N 1 2 366.465 3.048 20 70 FGIDLO CCOC(=O)c1c(C)oc2nc(C[N@H+](C)[C@@H](C)c3ccco3)nc(N)c21 ZINC000160721514 496027392 /nfs/dbraw/zinc/02/73/92/496027392.db2.gz DCRRZWMBAPSFDA-JTQLQIEISA-N 1 2 358.398 3.076 20 70 FGIDLO CCOC(=O)c1c(C)oc2nc(C[N@@H+](C)[C@@H](C)c3ccco3)nc(N)c21 ZINC000160721514 496027396 /nfs/dbraw/zinc/02/73/96/496027396.db2.gz DCRRZWMBAPSFDA-JTQLQIEISA-N 1 2 358.398 3.076 20 70 FGIDLO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1c(C)n[nH]c1C ZINC000160748357 496034243 /nfs/dbraw/zinc/03/42/43/496034243.db2.gz OECJMXZPFLCGQU-UHFFFAOYSA-N 1 2 354.376 3.295 20 70 FGIDLO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1c(C)n[nH]c1C ZINC000160748357 496034247 /nfs/dbraw/zinc/03/42/47/496034247.db2.gz OECJMXZPFLCGQU-UHFFFAOYSA-N 1 2 354.376 3.295 20 70 FGIDLO COCCCOc1cccc(CNc2nc(N(C)C)nc(C(C)C)[nH+]2)c1 ZINC000160820003 496049166 /nfs/dbraw/zinc/04/91/66/496049166.db2.gz RPSMNPYEXXHJOA-UHFFFAOYSA-N 1 2 359.474 3.088 20 70 FGIDLO COCCCOc1cccc(CNc2nc(C(C)C)[nH+]c(N(C)C)n2)c1 ZINC000160820003 496049169 /nfs/dbraw/zinc/04/91/69/496049169.db2.gz RPSMNPYEXXHJOA-UHFFFAOYSA-N 1 2 359.474 3.088 20 70 FGIDLO OC[C@]1([NH2+]Cc2nc3ccc(Br)cc3[nH]2)CCc2ccccc21 ZINC000160895462 496063479 /nfs/dbraw/zinc/06/34/79/496063479.db2.gz VYTARCAIEXIFQB-GOSISDBHSA-N 1 2 372.266 3.249 20 70 FGIDLO CCN(CC)c1ccc(CNC(=O)Nc2cc(C(=O)OC)cs2)c[nH+]1 ZINC000160923383 496068058 /nfs/dbraw/zinc/06/80/58/496068058.db2.gz DCHCPWFWGQPTDT-UHFFFAOYSA-N 1 2 362.455 3.098 20 70 FGIDLO CC(C)c1cc(C(=O)N(C)CCCn2cc[nH+]c2)nn1-c1ccccc1 ZINC000160990163 496080684 /nfs/dbraw/zinc/08/06/84/496080684.db2.gz CAMLYJQXLRMHIS-UHFFFAOYSA-N 1 2 351.454 3.355 20 70 FGIDLO COc1ccc(CCNC(=O)NCc2cn3c(cccc3C)[nH+]2)c(Cl)c1 ZINC000161139289 496112245 /nfs/dbraw/zinc/11/22/45/496112245.db2.gz WOLUBFYAYCLYHM-UHFFFAOYSA-N 1 2 372.856 3.347 20 70 FGIDLO CC(C)(C)OC1CC[NH+]([C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000161230806 496131900 /nfs/dbraw/zinc/13/19/00/496131900.db2.gz FROTXLHBZWBYAO-OAHLLOKOSA-N 1 2 369.303 3.255 20 70 FGIDLO CCOC(=O)[C@H]1CCCCN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000161248660 496137065 /nfs/dbraw/zinc/13/70/65/496137065.db2.gz CHDYPLDKLFMBBG-CQSZACIVSA-N 1 2 366.259 3.014 20 70 FGIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[NH+]3CCC(C(F)(F)F)CC3)c2c1 ZINC000161309955 496148715 /nfs/dbraw/zinc/14/87/15/496148715.db2.gz QLMBKYLDPKSAFB-UHFFFAOYSA-N 1 2 368.355 3.412 20 70 FGIDLO CC(C)(C)c1ncc(/C=C/C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000161360278 496159625 /nfs/dbraw/zinc/15/96/25/496159625.db2.gz VQVROKUQQRZRQA-HSBSLETESA-N 1 2 356.495 3.244 20 70 FGIDLO CC(C)[C@H](NC(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1)c1ccccc1 ZINC000161479299 496184459 /nfs/dbraw/zinc/18/44/59/496184459.db2.gz LMUSPGJTJYIYMJ-ROUUACIJSA-N 1 2 372.431 3.135 20 70 FGIDLO CCNc1ncc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)s1 ZINC000159420543 495728677 /nfs/dbraw/zinc/72/86/77/495728677.db2.gz SUWHIGZFWVWBIJ-GFCCVEGCSA-N 1 2 350.513 3.155 20 70 FGIDLO Cc1cccc(C[NH+]2CCN(C(=O)c3csc([C@@H]4CCCO4)n3)CC2)c1 ZINC000159496290 495745142 /nfs/dbraw/zinc/74/51/42/495745142.db2.gz PGSUEUPSEBTWCA-SFHVURJKSA-N 1 2 371.506 3.261 20 70 FGIDLO COc1cc(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1Cl ZINC000159587243 495763974 /nfs/dbraw/zinc/76/39/74/495763974.db2.gz BLJOMEJGJLXBGE-UHFFFAOYSA-N 1 2 359.857 3.025 20 70 FGIDLO CC(C)C[C@H](CCO)CNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000159786463 495809007 /nfs/dbraw/zinc/80/90/07/495809007.db2.gz VDXQXYKHUXIBFA-SJORKVTESA-N 1 2 367.559 3.181 20 70 FGIDLO COC[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)c1ccco1 ZINC000159792480 495810875 /nfs/dbraw/zinc/81/08/75/495810875.db2.gz ARRDXXIEHYXECW-GDBMZVCRSA-N 1 2 363.483 3.117 20 70 FGIDLO Cc1c[nH]c(=O)n1-c1ccc([C@H](C)[NH2+][C@@H](C)c2nc(C(C)C)no2)cc1 ZINC000159862759 495826726 /nfs/dbraw/zinc/82/67/26/495826726.db2.gz HPLJWSXEIQCQGO-KBPBESRZSA-N 1 2 355.442 3.392 20 70 FGIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000159870933 495829088 /nfs/dbraw/zinc/82/90/88/495829088.db2.gz YYNWZNXISXSJEO-NSHDSACASA-N 1 2 363.310 3.386 20 70 FGIDLO Cc1c[nH]c(=O)n1-c1ccc([C@H](C)[NH2+][C@@H](C)c2nc(C3CC3)no2)cc1 ZINC000159877309 495830513 /nfs/dbraw/zinc/83/05/13/495830513.db2.gz ILTSTRBEDLKBHP-STQMWFEESA-N 1 2 353.426 3.146 20 70 FGIDLO CC(C)[C@H](SCC[NH+]1CCOCC1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000159952451 495849375 /nfs/dbraw/zinc/84/93/75/495849375.db2.gz GQJFEZFWPKYEBC-IBGZPJMESA-N 1 2 362.539 3.204 20 70 FGIDLO Cc1cccn2cc(-c3ccc(NC(=O)c4cccc(=O)n4C)cc3)[nH+]c12 ZINC000159972863 495852925 /nfs/dbraw/zinc/85/29/25/495852925.db2.gz YBXARIFSOZSEDA-UHFFFAOYSA-N 1 2 358.401 3.261 20 70 FGIDLO CC[C@H](C)[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1nc2ccccc2[nH]1 ZINC000160215605 495911858 /nfs/dbraw/zinc/91/18/58/495911858.db2.gz ODBDWZLSNMRNDY-PMUMKWKESA-N 1 2 351.454 3.225 20 70 FGIDLO CCc1oc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(OC)cc2)cc1C ZINC000160248375 495917931 /nfs/dbraw/zinc/91/79/31/495917931.db2.gz SSRSQGVJIJAYHV-SFHVURJKSA-N 1 2 353.422 3.412 20 70 FGIDLO CC(C)(CNC(=O)N1CC[NH+](Cc2ccccn2)CC1)Cc1ccccc1 ZINC000160271979 495923560 /nfs/dbraw/zinc/92/35/60/495923560.db2.gz LNZHLLGORWRPEB-UHFFFAOYSA-N 1 2 366.509 3.178 20 70 FGIDLO COc1cc(NC(=O)C[N@H+](C)CCC(=O)c2ccc(C)cc2)cc(OC)c1 ZINC000160665535 496016300 /nfs/dbraw/zinc/01/63/00/496016300.db2.gz CVELFBKVDGZVQP-UHFFFAOYSA-N 1 2 370.449 3.156 20 70 FGIDLO COc1cc(NC(=O)C[N@@H+](C)CCC(=O)c2ccc(C)cc2)cc(OC)c1 ZINC000160665535 496016302 /nfs/dbraw/zinc/01/63/02/496016302.db2.gz CVELFBKVDGZVQP-UHFFFAOYSA-N 1 2 370.449 3.156 20 70 FGIDLO COc1cccc(N2CC[NH+](Cc3ncccc3C(F)(F)F)CC2)c1 ZINC000160683198 496019561 /nfs/dbraw/zinc/01/95/61/496019561.db2.gz RIENVELODFOWAL-UHFFFAOYSA-N 1 2 351.372 3.431 20 70 FGIDLO Cc1cc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1N(C)C ZINC000160790984 496043353 /nfs/dbraw/zinc/04/33/53/496043353.db2.gz WEBMKAPCKDMFLK-MRXNPFEDSA-N 1 2 355.486 3.281 20 70 FGIDLO CCOc1ccc(C2(C[NH2+][C@H](C)C(=O)OC(C)(C)C)CCOCC2)cc1 ZINC000160817297 496047600 /nfs/dbraw/zinc/04/76/00/496047600.db2.gz QVCMQYVOGQNOGT-MRXNPFEDSA-N 1 2 363.498 3.453 20 70 FGIDLO CCC(=O)Nc1ccc(C)c(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000160839772 496052048 /nfs/dbraw/zinc/05/20/48/496052048.db2.gz MFQLXXFDIZTRHX-INIZCTEOSA-N 1 2 367.453 3.139 20 70 FGIDLO CCCCOCCOCc1cccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000160967320 496076573 /nfs/dbraw/zinc/07/65/73/496076573.db2.gz ZRTFTEOUAGKJRQ-GOSISDBHSA-N 1 2 371.481 3.418 20 70 FGIDLO O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)[C@H]1CCn2cc[nH+]c2C1 ZINC000161005930 496083370 /nfs/dbraw/zinc/08/33/70/496083370.db2.gz KGSIJWFTCIRWNW-BBRMVZONSA-N 1 2 361.392 3.241 20 70 FGIDLO C[C@@H]1CCc2ccccc2[C@H]1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161025246 496088127 /nfs/dbraw/zinc/08/81/27/496088127.db2.gz DKAIODXKJIDUEO-UTKZUKDTSA-N 1 2 364.493 3.232 20 70 FGIDLO CN(C)c1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c(F)c1 ZINC000161154229 496115817 /nfs/dbraw/zinc/11/58/17/496115817.db2.gz NUAJDBWMEHHCNX-UHFFFAOYSA-N 1 2 356.376 3.147 20 70 FGIDLO Cc1nc(-c2ccccc2)sc1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161270321 496141804 /nfs/dbraw/zinc/14/18/04/496141804.db2.gz IOJKYCPCSVRXQL-HNNXBMFYSA-N 1 2 352.463 3.194 20 70 FGIDLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1C ZINC000161366144 496161268 /nfs/dbraw/zinc/16/12/68/496161268.db2.gz QOPJNUJCDWKXSC-XJKSGUPXSA-N 1 2 358.404 3.266 20 70 FGIDLO CCC(CC)n1nccc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000161452369 496178975 /nfs/dbraw/zinc/17/89/75/496178975.db2.gz ZNLQABWCKFBLLN-HXUWFJFHSA-N 1 2 370.497 3.048 20 70 FGIDLO O=C(Nc1cccc(-c2ccc3c(c2)CCO3)n1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161509237 496188915 /nfs/dbraw/zinc/18/89/15/496188915.db2.gz BIIQIXISJBRYDD-INIZCTEOSA-N 1 2 360.417 3.081 20 70 FGIDLO O=c1c2ccccc2nc(SCCn2cc[nH+]c2)n1Cc1ccccc1 ZINC000159411729 495727776 /nfs/dbraw/zinc/72/77/76/495727776.db2.gz HAGVSIVYEYQZPX-UHFFFAOYSA-N 1 2 362.458 3.434 20 70 FGIDLO Cc1ccccc1NC(=O)CN1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000159487271 495742371 /nfs/dbraw/zinc/74/23/71/495742371.db2.gz FRQGUFOBPHQCNH-KRWDZBQOSA-N 1 2 355.457 3.451 20 70 FGIDLO C[C@@H](C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1)C1CCOCC1 ZINC000159500349 495746667 /nfs/dbraw/zinc/74/66/67/495746667.db2.gz BEFXASZCRAGLSZ-OAHLLOKOSA-N 1 2 350.890 3.047 20 70 FGIDLO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[C@@H]1CCCCO1 ZINC000159648993 495778545 /nfs/dbraw/zinc/77/85/45/495778545.db2.gz ABZFIANXWFXVCC-INIZCTEOSA-N 1 2 357.479 3.209 20 70 FGIDLO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[C@@H]1CCCCO1 ZINC000159648993 495778550 /nfs/dbraw/zinc/77/85/50/495778550.db2.gz ABZFIANXWFXVCC-INIZCTEOSA-N 1 2 357.479 3.209 20 70 FGIDLO O=C(Nc1ccccc1C[NH+]1CCOCC1)N1CCc2cccc(F)c2C1 ZINC000159659569 495781076 /nfs/dbraw/zinc/78/10/76/495781076.db2.gz RJYTWGWIKDTGRN-UHFFFAOYSA-N 1 2 369.440 3.248 20 70 FGIDLO O=C(Nc1ccccc1Br)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159707772 495792048 /nfs/dbraw/zinc/79/20/48/495792048.db2.gz VHPJHSAPGKNASF-LBPRGKRZSA-N 1 2 361.243 3.245 20 70 FGIDLO O=C(/C=C/c1ccc(Cl)nc1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000159946943 495847967 /nfs/dbraw/zinc/84/79/67/495847967.db2.gz BMQHXEKHESJRNH-ZZXKWVIFSA-N 1 2 356.788 3.389 20 70 FGIDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000159992138 495858559 /nfs/dbraw/zinc/85/85/59/495858559.db2.gz ODWFOIJAUSDLOY-CVEARBPZSA-N 1 2 357.404 3.380 20 70 FGIDLO Cc1nc(C2CC[NH+]([C@@H](C)c3nc(Cc4ccccc4)no3)CC2)no1 ZINC000159995431 495859553 /nfs/dbraw/zinc/85/95/53/495859553.db2.gz FGNUJHWHPYPVKG-ZDUSSCGKSA-N 1 2 353.426 3.292 20 70 FGIDLO C[C@@H](O)C[C@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000160022139 495865997 /nfs/dbraw/zinc/86/59/97/495865997.db2.gz WAESCNJJPFPVQS-DYESRHJHSA-N 1 2 363.461 3.216 20 70 FGIDLO CCCC1(CNC(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CCC1 ZINC000160078833 495879420 /nfs/dbraw/zinc/87/94/20/495879420.db2.gz FHQYRSFPEAZLHC-INIZCTEOSA-N 1 2 360.502 3.076 20 70 FGIDLO Cc1ccc(C[C@@H](C)NC(=O)N2CC[NH+](Cc3ccccn3)CC2)c(C)c1 ZINC000160122766 495889124 /nfs/dbraw/zinc/88/91/24/495889124.db2.gz KEWZMILGMDWTGM-LJQANCHMSA-N 1 2 366.509 3.157 20 70 FGIDLO CC[C@H](Cc1ccccc1Br)C(=O)N(C)Cc1[nH+]ccn1C ZINC000160148266 495897003 /nfs/dbraw/zinc/89/70/03/495897003.db2.gz ALTVZWQQHWCABA-CYBMUJFWSA-N 1 2 364.287 3.410 20 70 FGIDLO COc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2c2cccc(C)n2)c1 ZINC000160156057 495897645 /nfs/dbraw/zinc/89/76/45/495897645.db2.gz BDBSXFVOVZEIOC-IBGZPJMESA-N 1 2 360.479 3.009 20 70 FGIDLO COc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2c2cccc(C)n2)c1 ZINC000160156057 495897649 /nfs/dbraw/zinc/89/76/49/495897649.db2.gz BDBSXFVOVZEIOC-IBGZPJMESA-N 1 2 360.479 3.009 20 70 FGIDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1csc([C@H]2CCCO2)n1 ZINC000160170571 495901122 /nfs/dbraw/zinc/90/11/22/495901122.db2.gz HTBDKEWQLNUUEN-MRXNPFEDSA-N 1 2 356.451 3.083 20 70 FGIDLO CCc1oc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(OC)cc2)cc1C ZINC000160248503 495917791 /nfs/dbraw/zinc/91/77/91/495917791.db2.gz SSRSQGVJIJAYHV-GOSISDBHSA-N 1 2 353.422 3.412 20 70 FGIDLO CC[C@H](C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1c(C)noc1C ZINC000160513801 495979869 /nfs/dbraw/zinc/97/98/69/495979869.db2.gz YEJLWJASKKDBLG-KRWDZBQOSA-N 1 2 356.470 3.487 20 70 FGIDLO CCCC1(CNC(=O)c2ccc(S(=O)(=O)Nc3cc[nH+]cc3)cc2)CC1 ZINC000160716023 496027808 /nfs/dbraw/zinc/02/78/08/496027808.db2.gz RHXFUSMKGGBUGC-UHFFFAOYSA-N 1 2 373.478 3.193 20 70 FGIDLO Cc1cc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1N(C)C ZINC000160791103 496043340 /nfs/dbraw/zinc/04/33/40/496043340.db2.gz WEBMKAPCKDMFLK-INIZCTEOSA-N 1 2 355.486 3.281 20 70 FGIDLO Cc1c(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)cnn1CC(C)C ZINC000160802427 496045777 /nfs/dbraw/zinc/04/57/77/496045777.db2.gz QHTJLCCWJGNNRF-SFHVURJKSA-N 1 2 369.444 3.240 20 70 FGIDLO CC(C)c1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)cn1 ZINC000160866053 496056415 /nfs/dbraw/zinc/05/64/15/496056415.db2.gz OIANJUWLLWZTOO-HXUWFJFHSA-N 1 2 353.466 3.008 20 70 FGIDLO C[C@@H](CC(=O)c1cccs1)NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000160945302 496072086 /nfs/dbraw/zinc/07/20/86/496072086.db2.gz INWMKXDZGBSSGK-GJZGRUSLSA-N 1 2 356.491 3.272 20 70 FGIDLO C[C@@H](CC(=O)c1cccs1)NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000160945302 496072090 /nfs/dbraw/zinc/07/20/90/496072090.db2.gz INWMKXDZGBSSGK-GJZGRUSLSA-N 1 2 356.491 3.272 20 70 FGIDLO COC(=O)c1csc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000160992984 496080704 /nfs/dbraw/zinc/08/07/04/496080704.db2.gz LMSYFXJULXJIFL-UHFFFAOYSA-N 1 2 374.466 3.242 20 70 FGIDLO COCCC1(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000161000200 496082083 /nfs/dbraw/zinc/08/20/83/496082083.db2.gz SUNAUOWQUPYYKM-OALUTQOASA-N 1 2 368.481 3.228 20 70 FGIDLO C[C@H](c1nnc(-c2cccs2)o1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161212209 496128041 /nfs/dbraw/zinc/12/80/41/496128041.db2.gz MNIDOAZYIIDFNL-CQSZACIVSA-N 1 2 355.467 3.072 20 70 FGIDLO CCc1cccc(C)c1NC(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161280979 496143288 /nfs/dbraw/zinc/14/32/88/496143288.db2.gz ZYAVLIKBDLDAIP-KRWDZBQOSA-N 1 2 358.404 3.131 20 70 FGIDLO Cn1ncc2c1nc[nH+]c2N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000161334577 496153716 /nfs/dbraw/zinc/15/37/16/496153716.db2.gz FKUGGGWHTWITLL-GOSISDBHSA-N 1 2 372.432 3.025 20 70 FGIDLO CC(C)NC(=O)c1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000161442661 496177597 /nfs/dbraw/zinc/17/75/97/496177597.db2.gz BSYDOHBLXKKCFM-UHFFFAOYSA-N 1 2 366.396 3.402 20 70 FGIDLO CC(C)(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1cc(C(N)=O)cs1 ZINC000161487096 496185398 /nfs/dbraw/zinc/18/53/98/496185398.db2.gz XWPYFRXASPALRW-UHFFFAOYSA-N 1 2 363.458 3.225 20 70 FGIDLO CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1cc(C(N)=O)cs1 ZINC000161487096 496185403 /nfs/dbraw/zinc/18/54/03/496185403.db2.gz XWPYFRXASPALRW-UHFFFAOYSA-N 1 2 363.458 3.225 20 70 FGIDLO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@H](C)C(=O)NC1CC1 ZINC000159387329 495721720 /nfs/dbraw/zinc/72/17/20/495721720.db2.gz GQMDOEHGZFUAAL-LLVKDONJSA-N 1 2 372.296 3.311 20 70 FGIDLO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@H](C)C(=O)NC1CC1 ZINC000159387329 495721726 /nfs/dbraw/zinc/72/17/26/495721726.db2.gz GQMDOEHGZFUAAL-LLVKDONJSA-N 1 2 372.296 3.311 20 70 FGIDLO O[C@H](C[C@@H]1COCC[N@@H+]1Cc1ccc(OC(F)F)cc1)c1ccco1 ZINC000159532478 495753413 /nfs/dbraw/zinc/75/34/13/495753413.db2.gz FREUTPYXJXPQIV-GDBMZVCRSA-N 1 2 353.365 3.206 20 70 FGIDLO O[C@H](C[C@@H]1COCC[N@H+]1Cc1ccc(OC(F)F)cc1)c1ccco1 ZINC000159532478 495753416 /nfs/dbraw/zinc/75/34/16/495753416.db2.gz FREUTPYXJXPQIV-GDBMZVCRSA-N 1 2 353.365 3.206 20 70 FGIDLO COC[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccco1 ZINC000159792341 495809389 /nfs/dbraw/zinc/80/93/89/495809389.db2.gz ARRDXXIEHYXECW-GOEBONIOSA-N 1 2 363.483 3.117 20 70 FGIDLO Cc1cccc([C@@H](NC(=O)[C@H](C)[NH+]2CCSCC2)c2ccccn2)c1 ZINC000159834810 495820460 /nfs/dbraw/zinc/82/04/60/495820460.db2.gz UVJHYFNSGUCTEQ-QFBILLFUSA-N 1 2 355.507 3.033 20 70 FGIDLO NC(=O)[C@H]([NH2+]Cc1ccc(Oc2cccc(F)c2)nc1)c1ccccc1 ZINC000159838026 495821830 /nfs/dbraw/zinc/82/18/30/495821830.db2.gz KBAALJSFRCFVFC-LJQANCHMSA-N 1 2 351.381 3.329 20 70 FGIDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCO[C@@H](c2ccsc2)C1 ZINC000159860961 495825954 /nfs/dbraw/zinc/82/59/54/495825954.db2.gz AFGADILFHIDDLQ-QGZVFWFLSA-N 1 2 372.494 3.026 20 70 FGIDLO O=C(NCc1[nH]cc[nH+]1)c1csc(-c2ccc(Br)s2)n1 ZINC000159859388 495826848 /nfs/dbraw/zinc/82/68/48/495826848.db2.gz KCKZLUWYGRMRQK-UHFFFAOYSA-N 1 2 369.269 3.287 20 70 FGIDLO Cc1cccc(NC(=O)[C@@H](SCC[NH+]2CCOCC2)C(C)C)c1C ZINC000159915248 495839856 /nfs/dbraw/zinc/83/98/56/495839856.db2.gz CEAJVVSHCIHGNV-SFHVURJKSA-N 1 2 350.528 3.332 20 70 FGIDLO COc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c1 ZINC000160156162 495897722 /nfs/dbraw/zinc/89/77/22/495897722.db2.gz BDBSXFVOVZEIOC-LJQANCHMSA-N 1 2 360.479 3.009 20 70 FGIDLO COc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2c2cccc(C)n2)c1 ZINC000160156162 495897730 /nfs/dbraw/zinc/89/77/30/495897730.db2.gz BDBSXFVOVZEIOC-LJQANCHMSA-N 1 2 360.479 3.009 20 70 FGIDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1cn(-c2cccc(C)c2)nn1 ZINC000160176829 495902010 /nfs/dbraw/zinc/90/20/10/495902010.db2.gz JSGCBMKQCIHRJM-UHFFFAOYSA-N 1 2 374.448 3.054 20 70 FGIDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccccc1C(=O)OC ZINC000160239019 495916576 /nfs/dbraw/zinc/91/65/76/495916576.db2.gz PUWZVSUYTVZJMI-UHFFFAOYSA-N 1 2 362.376 3.212 20 70 FGIDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccccc1C(=O)OC ZINC000160239019 495916581 /nfs/dbraw/zinc/91/65/81/495916581.db2.gz PUWZVSUYTVZJMI-UHFFFAOYSA-N 1 2 362.376 3.212 20 70 FGIDLO CCCN(CC)c1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000160241414 495916624 /nfs/dbraw/zinc/91/66/24/495916624.db2.gz KRWWMPPFPNLUGM-UHFFFAOYSA-N 1 2 367.497 3.112 20 70 FGIDLO CCCCOC(=O)[C@H](C)[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000160266509 495922551 /nfs/dbraw/zinc/92/25/51/495922551.db2.gz RYXNXTCJTZGPPL-AWEZNQCLSA-N 1 2 358.442 3.043 20 70 FGIDLO C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160309456 495931440 /nfs/dbraw/zinc/93/14/40/495931440.db2.gz KVBSKVPLYKHADM-HOTGVXAUSA-N 1 2 355.482 3.327 20 70 FGIDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)c1 ZINC000160322621 495935208 /nfs/dbraw/zinc/93/52/08/495935208.db2.gz BBCKXBSKVZTAMR-UHFFFAOYSA-N 1 2 360.417 3.232 20 70 FGIDLO CC(C)C(=O)Nc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000160383733 495951141 /nfs/dbraw/zinc/95/11/41/495951141.db2.gz XWVCAXQCJKGMKZ-QGZVFWFLSA-N 1 2 367.453 3.077 20 70 FGIDLO O=C(NCc1ccc(Oc2cccnc2)c(F)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160465547 495969294 /nfs/dbraw/zinc/96/92/94/495969294.db2.gz LAFFFQCSJMGFLL-HNNXBMFYSA-N 1 2 366.396 3.088 20 70 FGIDLO CCn1cc(C2CC[NH+](CC(=O)Nc3nc4c(s3)CCCC4)CC2)cn1 ZINC000160468780 495969681 /nfs/dbraw/zinc/96/96/81/495969681.db2.gz AYBKBRBDJHFZTD-UHFFFAOYSA-N 1 2 373.526 3.056 20 70 FGIDLO C[N@@H+]1CC[C@@H](NC(=O)NCc2cccs2)[C@@H]1c1ccc(F)c(F)c1 ZINC000160701989 496023415 /nfs/dbraw/zinc/02/34/15/496023415.db2.gz ATFXKDJCFRAUEM-CVEARBPZSA-N 1 2 351.422 3.271 20 70 FGIDLO C[N@H+]1CC[C@@H](NC(=O)NCc2cccs2)[C@@H]1c1ccc(F)c(F)c1 ZINC000160701989 496023418 /nfs/dbraw/zinc/02/34/18/496023418.db2.gz ATFXKDJCFRAUEM-CVEARBPZSA-N 1 2 351.422 3.271 20 70 FGIDLO CC(C)OCCOCc1cccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000160865347 496056934 /nfs/dbraw/zinc/05/69/34/496056934.db2.gz SRZVXJHOPHAFMU-KRWDZBQOSA-N 1 2 357.454 3.026 20 70 FGIDLO CCOc1cccc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2OC)n1 ZINC000160942080 496072797 /nfs/dbraw/zinc/07/27/97/496072797.db2.gz WKNJJDGTBHXSOI-UHFFFAOYSA-N 1 2 363.845 3.213 20 70 FGIDLO CCOc1cccc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2OC)n1 ZINC000160942080 496072804 /nfs/dbraw/zinc/07/28/04/496072804.db2.gz WKNJJDGTBHXSOI-UHFFFAOYSA-N 1 2 363.845 3.213 20 70 FGIDLO C[C@@H]1CCN(C(=O)c2cccc(Nc3cnn(C)c3)c2)C[C@H]1n1cc[nH+]c1 ZINC000160967330 496076214 /nfs/dbraw/zinc/07/62/14/496076214.db2.gz AMSIQUQNUMIXEC-DNVCBOLYSA-N 1 2 364.453 3.084 20 70 FGIDLO COC(=O)c1csc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000160996693 496081871 /nfs/dbraw/zinc/08/18/71/496081871.db2.gz VXDNGVRVLDRODW-UHFFFAOYSA-N 1 2 374.397 3.181 20 70 FGIDLO C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+](C)Cc1cnn(C)c1 ZINC000161063349 496095520 /nfs/dbraw/zinc/09/55/20/496095520.db2.gz KOTHPKXKFPWKIG-LBPRGKRZSA-N 1 2 373.457 3.142 20 70 FGIDLO C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+](C)Cc1cnn(C)c1 ZINC000161063349 496095525 /nfs/dbraw/zinc/09/55/25/496095525.db2.gz KOTHPKXKFPWKIG-LBPRGKRZSA-N 1 2 373.457 3.142 20 70 FGIDLO CCC[N@H+](Cc1cnc(-c2ccsc2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000161095311 496102816 /nfs/dbraw/zinc/10/28/16/496102816.db2.gz BGPPOPJDYDLMRJ-ZDUSSCGKSA-N 1 2 356.538 3.271 20 70 FGIDLO CCC[N@@H+](Cc1cnc(-c2ccsc2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000161095311 496102822 /nfs/dbraw/zinc/10/28/22/496102822.db2.gz BGPPOPJDYDLMRJ-ZDUSSCGKSA-N 1 2 356.538 3.271 20 70 FGIDLO Clc1ccc(-c2nnc(CN3CC[NH+](Cc4ccncc4)CC3)o2)cc1 ZINC000161166912 496118292 /nfs/dbraw/zinc/11/82/92/496118292.db2.gz KGLQROLQMWKDNN-UHFFFAOYSA-N 1 2 369.856 3.103 20 70 FGIDLO CCCCN(CC)C(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161178711 496121522 /nfs/dbraw/zinc/12/15/22/496121522.db2.gz KLWRDCVYBZODBO-IAGOWNOFSA-N 1 2 372.431 3.462 20 70 FGIDLO CCCCN(CC)C(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161178711 496121525 /nfs/dbraw/zinc/12/15/25/496121525.db2.gz KLWRDCVYBZODBO-IAGOWNOFSA-N 1 2 372.431 3.462 20 70 FGIDLO O=C(N[C@H]1CCCc2sccc21)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161282747 496144100 /nfs/dbraw/zinc/14/41/00/496144100.db2.gz LVWKCEFRWXITIA-KRWDZBQOSA-N 1 2 356.495 3.048 20 70 FGIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc(-c2cccc(Cl)c2)no1 ZINC000161350522 496157533 /nfs/dbraw/zinc/15/75/33/496157533.db2.gz KDIXAWZBUXGFQQ-OAHLLOKOSA-N 1 2 368.824 3.399 20 70 FGIDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(Br)cc2cccnc21 ZINC000161426439 496174282 /nfs/dbraw/zinc/17/42/82/496174282.db2.gz MTDKDYAFJHVSPT-OAHLLOKOSA-N 1 2 362.271 3.098 20 70 FGIDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cc(Br)cc2cccnc21 ZINC000161426439 496174289 /nfs/dbraw/zinc/17/42/89/496174289.db2.gz MTDKDYAFJHVSPT-OAHLLOKOSA-N 1 2 362.271 3.098 20 70 FGIDLO C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161498010 496187347 /nfs/dbraw/zinc/18/73/47/496187347.db2.gz WCLXMBKVMRXUSP-MLGOLLRUSA-N 1 2 369.387 3.357 20 70 FGIDLO