smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Cc2cc(Br)ccc2F)C1 ZINC000159374981 565204694 /nfs/dbraw/zinc/20/46/94/565204694.db2.gz BVWMZMRRCRQAAX-CYBMUJFWSA-N 1 2 394.288 3.346 20 70 GGIDLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cc(C(F)(F)F)ccc1F ZINC000159435378 565206688 /nfs/dbraw/zinc/20/66/88/565206688.db2.gz ULWCCNDNBBBWJO-CQSZACIVSA-N 1 2 382.423 3.138 20 70 GGIDLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1cc(C(F)(F)F)ccc1F ZINC000159435378 565206694 /nfs/dbraw/zinc/20/66/94/565206694.db2.gz ULWCCNDNBBBWJO-CQSZACIVSA-N 1 2 382.423 3.138 20 70 GGIDLO CC(C)Oc1cncc(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)c1 ZINC000159708126 565215240 /nfs/dbraw/zinc/21/52/40/565215240.db2.gz YDHNDHUZJMQDPL-UHFFFAOYSA-N 1 2 389.253 3.209 20 70 GGIDLO Cc1nc(CC(=O)NCc2cn3cc(Br)ccc3[nH+]2)c(C)s1 ZINC000159709023 565215603 /nfs/dbraw/zinc/21/56/03/565215603.db2.gz XIUYQBIOXLXNIG-UHFFFAOYSA-N 1 2 379.283 3.029 20 70 GGIDLO COc1ccsc1S(=O)(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000159737522 565216267 /nfs/dbraw/zinc/21/62/67/565216267.db2.gz AEKLDVQBENEAIQ-UHFFFAOYSA-N 1 2 398.575 3.149 20 70 GGIDLO CC[NH+](CC)CCOc1ccc(NS(=O)(=O)c2sccc2OC)cc1 ZINC000159759976 565217547 /nfs/dbraw/zinc/21/75/47/565217547.db2.gz NTEFXAMWEMJQTP-UHFFFAOYSA-N 1 2 384.523 3.278 20 70 GGIDLO CSC1(CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)CCOCC1 ZINC000159766850 565217746 /nfs/dbraw/zinc/21/77/46/565217746.db2.gz RKRPWGNNIPVQQD-OAHLLOKOSA-N 1 2 383.583 3.049 20 70 GGIDLO Brc1cccc(-c2noc(CSCC[NH+]3CCOCC3)n2)c1 ZINC000159833894 565220323 /nfs/dbraw/zinc/22/03/23/565220323.db2.gz AEDPVUNGKISLKP-UHFFFAOYSA-N 1 2 384.299 3.065 20 70 GGIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)N(c1nccs1)C1CCCCC1 ZINC000159830520 565220623 /nfs/dbraw/zinc/22/06/23/565220623.db2.gz PSYQDZFVOGHWFV-HNNXBMFYSA-N 1 2 383.583 3.263 20 70 GGIDLO Cc1cccn2cc(CCNC(=O)Cc3ccc(Br)c(F)c3)[nH+]c12 ZINC000159880241 565222448 /nfs/dbraw/zinc/22/24/48/565222448.db2.gz UAOHPFJWMRDNJL-UHFFFAOYSA-N 1 2 390.256 3.446 20 70 GGIDLO Cc1ccc(NC(=O)[C@@H](C)SCC[NH+]2CCOCC2)c(Br)c1 ZINC000159919518 565223789 /nfs/dbraw/zinc/22/37/89/565223789.db2.gz OUFPEULQTLREEP-CYBMUJFWSA-N 1 2 387.343 3.150 20 70 GGIDLO Cc1cc(NC(=O)[C@@H](C)SCC[NH+]2CCOCC2)ccc1Br ZINC000159954294 565225317 /nfs/dbraw/zinc/22/53/17/565225317.db2.gz SYBDLMGYXKDJBQ-CYBMUJFWSA-N 1 2 387.343 3.150 20 70 GGIDLO COc1c(C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)c(C)nn1C ZINC000160190592 565234841 /nfs/dbraw/zinc/23/48/41/565234841.db2.gz BZLLMBDIPZHDKE-UHFFFAOYSA-N 1 2 390.285 3.180 20 70 GGIDLO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000160185687 565235392 /nfs/dbraw/zinc/23/53/92/565235392.db2.gz PWDPKKGUACDIFW-QLJPJBMISA-N 1 2 381.245 3.474 20 70 GGIDLO C[N@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccccc1Br ZINC000160379498 565242843 /nfs/dbraw/zinc/24/28/43/565242843.db2.gz OYYNGTLQCJQDQC-UHFFFAOYSA-N 1 2 382.327 3.374 20 70 GGIDLO C[N@@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccccc1Br ZINC000160379498 565242845 /nfs/dbraw/zinc/24/28/45/565242845.db2.gz OYYNGTLQCJQDQC-UHFFFAOYSA-N 1 2 382.327 3.374 20 70 GGIDLO Cn1nc(Br)c2c1nc[nH+]c2N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000160622161 565253290 /nfs/dbraw/zinc/25/32/90/565253290.db2.gz MOOAKLIEDCSNTJ-CHWSQXEVSA-N 1 2 388.269 3.458 20 70 GGIDLO CCCC[N@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000160760685 565258460 /nfs/dbraw/zinc/25/84/60/565258460.db2.gz JZDSHBHEFDWMPW-SFHVURJKSA-N 1 2 381.929 3.315 20 70 GGIDLO CCCC[N@@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000160760685 565258463 /nfs/dbraw/zinc/25/84/63/565258463.db2.gz JZDSHBHEFDWMPW-SFHVURJKSA-N 1 2 381.929 3.315 20 70 GGIDLO CC(C)(CNC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cccc(Br)c1 ZINC000161135625 565274870 /nfs/dbraw/zinc/27/48/70/565274870.db2.gz KRMDTJFXAWYBIL-ZDUSSCGKSA-N 1 2 376.298 3.302 20 70 GGIDLO COc1ccc(Br)c(CC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000161207309 565276235 /nfs/dbraw/zinc/27/62/35/565276235.db2.gz ZHYWFJNRTNOHCX-GUYCJALGSA-N 1 2 392.297 3.306 20 70 GGIDLO Cc1cccn2c(CN(C)CC(=O)Nc3ccccc3Br)c[nH+]c12 ZINC000161176606 565276471 /nfs/dbraw/zinc/27/64/71/565276471.db2.gz FUBNGIGOHUGIAP-UHFFFAOYSA-N 1 2 387.281 3.476 20 70 GGIDLO CC(=O)Nc1ccccc1C[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000161179627 565276649 /nfs/dbraw/zinc/27/66/49/565276649.db2.gz TXKQSMFRSDRKAT-UHFFFAOYSA-N 1 2 390.281 3.478 20 70 GGIDLO CC(=O)Nc1ccccc1C[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000161179627 565276652 /nfs/dbraw/zinc/27/66/52/565276652.db2.gz TXKQSMFRSDRKAT-UHFFFAOYSA-N 1 2 390.281 3.478 20 70 GGIDLO CCc1nn(C)c(CC)c1C[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000161182182 565276852 /nfs/dbraw/zinc/27/68/52/565276852.db2.gz YBIPDAFEIINUHG-UHFFFAOYSA-N 1 2 393.329 3.378 20 70 GGIDLO CCc1nn(C)c(CC)c1C[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000161182182 565276857 /nfs/dbraw/zinc/27/68/57/565276857.db2.gz YBIPDAFEIINUHG-UHFFFAOYSA-N 1 2 393.329 3.378 20 70 GGIDLO COc1ccc(Br)c(CC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000161207424 565276926 /nfs/dbraw/zinc/27/69/26/565276926.db2.gz ZHYWFJNRTNOHCX-CXAGYDPISA-N 1 2 392.297 3.306 20 70 GGIDLO Brc1cc2cccnc2c(C[NH+]2CCN(c3cnccn3)CC2)c1 ZINC000161388520 565282272 /nfs/dbraw/zinc/28/22/72/565282272.db2.gz SUOHGQLVYYAEHH-UHFFFAOYSA-N 1 2 384.281 3.110 20 70 GGIDLO C[C@@H](NC(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1)c1ccccc1Cl ZINC000161435774 565283755 /nfs/dbraw/zinc/28/37/55/565283755.db2.gz MCHNEIGGNHOGCS-BZNIZROVSA-N 1 2 378.822 3.152 20 70 GGIDLO O=C1[C@H]([NH+]2CCC([C@H](O)C(F)(F)F)CC2)CCN1c1cccc(Cl)c1 ZINC000161444562 565284062 /nfs/dbraw/zinc/28/40/62/565284062.db2.gz RMXJJLSCSRODDF-CABCVRRESA-N 1 2 376.806 3.081 20 70 GGIDLO Cc1ccc(C(=O)CC[N@@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000161397942 565284367 /nfs/dbraw/zinc/28/43/67/565284367.db2.gz PAIIKVQZCMOOKB-SFHVURJKSA-N 1 2 389.293 3.489 20 70 GGIDLO Cc1ccc(C(=O)CC[N@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000161397942 565284370 /nfs/dbraw/zinc/28/43/70/565284370.db2.gz PAIIKVQZCMOOKB-SFHVURJKSA-N 1 2 389.293 3.489 20 70 GGIDLO CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1 ZINC000161477577 565284855 /nfs/dbraw/zinc/28/48/55/565284855.db2.gz XWHBZUOIOKZYKY-IAQYHMDHSA-N 1 2 376.444 3.371 20 70 GGIDLO CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1 ZINC000161477333 565285245 /nfs/dbraw/zinc/28/52/45/565285245.db2.gz XWHBZUOIOKZYKY-ABAIWWIYSA-N 1 2 376.444 3.371 20 70 GGIDLO C[N@@H+]1CCN(C(=O)c2cc(Br)ccc2O)[C@@H](c2ccccc2)C1 ZINC000216835591 565897375 /nfs/dbraw/zinc/89/73/75/565897375.db2.gz SNNPRLQMLNBOPP-MRXNPFEDSA-N 1 2 375.266 3.284 20 70 GGIDLO C[N@H+]1CCN(C(=O)c2cc(Br)ccc2O)[C@@H](c2ccccc2)C1 ZINC000216835591 565897377 /nfs/dbraw/zinc/89/73/77/565897377.db2.gz SNNPRLQMLNBOPP-MRXNPFEDSA-N 1 2 375.266 3.284 20 70 GGIDLO Brc1ccc(-c2nnn(Cc3ccc(-n4cc[nH+]c4)cc3)n2)cc1 ZINC000217777453 565898685 /nfs/dbraw/zinc/89/86/85/565898685.db2.gz KGHQGKQEDZUUHK-UHFFFAOYSA-N 1 2 381.237 3.337 20 70 GGIDLO O=S(=O)(F)c1ccnc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164995141 722213476 /nfs/dbraw/zinc/21/34/76/722213476.db2.gz GYDJENBXIDOULQ-LJQANCHMSA-N 1 2 393.459 3.124 20 70 GGIDLO O=S(=O)(F)c1ccnc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164995141 722213478 /nfs/dbraw/zinc/21/34/78/722213478.db2.gz GYDJENBXIDOULQ-LJQANCHMSA-N 1 2 393.459 3.124 20 70 GGIDLO O=C(Nc1ccc(Br)cc1F)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159896294 565222457 /nfs/dbraw/zinc/22/24/57/565222457.db2.gz BJLUCEBQWXEFGU-GFCCVEGCSA-N 1 2 379.233 3.384 20 70 GGIDLO C[N@@H+]1CCc2nc(NC(=O)Cc3ccc(Br)c(F)c3)sc2C1 ZINC000160000780 565226450 /nfs/dbraw/zinc/22/64/50/565226450.db2.gz HBORMCLYORNJAN-UHFFFAOYSA-N 1 2 384.274 3.214 20 70 GGIDLO C[N@H+]1CCc2nc(NC(=O)Cc3ccc(Br)c(F)c3)sc2C1 ZINC000160000780 565226454 /nfs/dbraw/zinc/22/64/54/565226454.db2.gz HBORMCLYORNJAN-UHFFFAOYSA-N 1 2 384.274 3.214 20 70 GGIDLO C[C@@H](NC(=O)CSCC[NH+]1CCOCC1)c1ccc(Cl)cc1Cl ZINC000160010735 565227856 /nfs/dbraw/zinc/22/78/56/565227856.db2.gz FNFUKGUUYLLTCM-GFCCVEGCSA-N 1 2 377.337 3.236 20 70 GGIDLO O=C(NCCn1cc[nH+]c1)c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC000160022413 565227917 /nfs/dbraw/zinc/22/79/17/565227917.db2.gz KFFBGLVOFZOQLQ-UHFFFAOYSA-N 1 2 381.219 3.187 20 70 GGIDLO CCOC(=O)C[C@H](C)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000160113803 565231729 /nfs/dbraw/zinc/23/17/29/565231729.db2.gz SJYZFCTVRGVGLH-GUYCJALGSA-N 1 2 397.313 3.044 20 70 GGIDLO CCOC(=O)C1CCN(C(=O)C[N@H+](C)Cc2cc(Cl)ccc2Cl)CC1 ZINC000160235588 565237140 /nfs/dbraw/zinc/23/71/40/565237140.db2.gz XVSOKFGYXIXTPX-UHFFFAOYSA-N 1 2 387.307 3.227 20 70 GGIDLO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)Cc2cc(Cl)ccc2Cl)CC1 ZINC000160235588 565237145 /nfs/dbraw/zinc/23/71/45/565237145.db2.gz XVSOKFGYXIXTPX-UHFFFAOYSA-N 1 2 387.307 3.227 20 70 GGIDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)CCc2cc(Cl)cc(Cl)c2)no1 ZINC000160285097 565238576 /nfs/dbraw/zinc/23/85/76/565238576.db2.gz AVPHOYWXXLFMPB-UHFFFAOYSA-N 1 2 385.295 3.422 20 70 GGIDLO C[N@H+](Cc1ncc(-c2ccccc2Br)o1)[C@@H]1CCCCNC1=O ZINC000160297953 565239711 /nfs/dbraw/zinc/23/97/11/565239711.db2.gz YEBDTFMUJMWADW-CQSZACIVSA-N 1 2 378.270 3.205 20 70 GGIDLO C[N@@H+](Cc1ncc(-c2ccccc2Br)o1)[C@@H]1CCCCNC1=O ZINC000160297953 565239715 /nfs/dbraw/zinc/23/97/15/565239715.db2.gz YEBDTFMUJMWADW-CQSZACIVSA-N 1 2 378.270 3.205 20 70 GGIDLO COC(=O)CCn1nc(C)c(C[N@H+](C)Cc2ccccc2Br)c1C ZINC000160381946 565242987 /nfs/dbraw/zinc/24/29/87/565242987.db2.gz BBPADSZGTQZDRQ-UHFFFAOYSA-N 1 2 394.313 3.458 20 70 GGIDLO COC(=O)CCn1nc(C)c(C[N@@H+](C)Cc2ccccc2Br)c1C ZINC000160381946 565242991 /nfs/dbraw/zinc/24/29/91/565242991.db2.gz BBPADSZGTQZDRQ-UHFFFAOYSA-N 1 2 394.313 3.458 20 70 GGIDLO CN(CCCn1cc[nH+]c1)C(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000160481961 565246501 /nfs/dbraw/zinc/24/65/01/565246501.db2.gz IEAMHLVQQOCSKX-UHFFFAOYSA-N 1 2 375.270 3.218 20 70 GGIDLO COc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)cc1Cl ZINC000160479893 565246835 /nfs/dbraw/zinc/24/68/35/565246835.db2.gz DZSYPWKNEIXSPE-OAHLLOKOSA-N 1 2 383.673 3.427 20 70 GGIDLO Cn1nc(Br)c2c1nc[nH+]c2N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000160622019 565252575 /nfs/dbraw/zinc/25/25/75/565252575.db2.gz MOOAKLIEDCSNTJ-STQMWFEESA-N 1 2 388.269 3.458 20 70 GGIDLO O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161072361 565271591 /nfs/dbraw/zinc/27/15/91/565271591.db2.gz XKYUMLBVVIAPMN-CYBMUJFWSA-N 1 2 376.913 3.291 20 70 GGIDLO CCC[N@H+](Cc1cc(Cl)c(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000161080324 565272807 /nfs/dbraw/zinc/27/28/07/565272807.db2.gz FILRUVQASISCFU-AWEZNQCLSA-N 1 2 375.918 3.146 20 70 GGIDLO CCC[N@@H+](Cc1cc(Cl)c(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000161080324 565272812 /nfs/dbraw/zinc/27/28/12/565272812.db2.gz FILRUVQASISCFU-AWEZNQCLSA-N 1 2 375.918 3.146 20 70 GGIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)Nc1cc(Cl)ccc1Cl ZINC000161147040 565275289 /nfs/dbraw/zinc/27/52/89/565275289.db2.gz PWHGGCCVDZLTLX-UHFFFAOYSA-N 1 2 379.291 3.145 20 70 GGIDLO Cc1ccn2c(CN(C)CC(=O)Nc3ccccc3Br)c[nH+]c2c1 ZINC000161171767 565276563 /nfs/dbraw/zinc/27/65/63/565276563.db2.gz YBNLXPNHDIOBNU-UHFFFAOYSA-N 1 2 387.281 3.476 20 70 GGIDLO COc1ccc(Br)c(CC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000161207166 565276952 /nfs/dbraw/zinc/27/69/52/565276952.db2.gz ZHYWFJNRTNOHCX-DYVFJYSZSA-N 1 2 392.297 3.306 20 70 GGIDLO COc1ccc(Br)cc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161247965 565277678 /nfs/dbraw/zinc/27/76/78/565277678.db2.gz FHXPCGUVIZAOEN-ZDUSSCGKSA-N 1 2 391.269 3.253 20 70 GGIDLO C[C@H]([C@H](C)NC(=O)Nc1ccc(Br)c(Cl)c1)[NH+]1CCOCC1 ZINC000161265048 565278910 /nfs/dbraw/zinc/27/89/10/565278910.db2.gz RYSOGEHPQDYANP-WDEREUQCSA-N 1 2 390.709 3.333 20 70 GGIDLO O=C1[C@@H]([NH+]2CCC([C@@H](O)C(F)(F)F)CC2)CCN1c1ccccc1Cl ZINC000161264722 565279596 /nfs/dbraw/zinc/27/95/96/565279596.db2.gz FKWBHPQPKPKHEJ-LSDHHAIUSA-N 1 2 376.806 3.081 20 70 GGIDLO CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000161288186 565280193 /nfs/dbraw/zinc/28/01/93/565280193.db2.gz ZNURXRJBBIWUQC-NHYWBVRUSA-N 1 2 376.444 3.371 20 70 GGIDLO CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000161288315 565280576 /nfs/dbraw/zinc/28/05/76/565280576.db2.gz ZNURXRJBBIWUQC-ABAIWWIYSA-N 1 2 376.444 3.371 20 70 GGIDLO CN(CC[NH+]1CCOCC1)C(=O)c1ccc2cc(Br)ccc2c1 ZINC000161457465 565285290 /nfs/dbraw/zinc/28/52/90/565285290.db2.gz OIOFNFNJOOZSIF-UHFFFAOYSA-N 1 2 377.282 3.007 20 70 GGIDLO CCN(CC[NH2+]Cc1cc(Br)c(O)c(Br)c1)C1CC1 ZINC000217498550 565897251 /nfs/dbraw/zinc/89/72/51/565897251.db2.gz MGTSFEPOYRHDDC-UHFFFAOYSA-N 1 2 392.135 3.491 20 70 GGIDLO C[C@H](C[NH2+]Cc1cc(Br)c(O)c(Br)c1)N(C)C1CC1 ZINC000217609213 565897307 /nfs/dbraw/zinc/89/73/07/565897307.db2.gz DYSQVUWPHFGBBK-SECBINFHSA-N 1 2 392.135 3.490 20 70 GGIDLO C[C@@H](C[NH2+]Cc1cc(Br)c(O)c(Br)c1)N(C)C1CC1 ZINC000217609121 565897363 /nfs/dbraw/zinc/89/73/63/565897363.db2.gz DYSQVUWPHFGBBK-VIFPVBQESA-N 1 2 392.135 3.490 20 70 GGIDLO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159374156 565203817 /nfs/dbraw/zinc/20/38/17/565203817.db2.gz BVEYCSRYXVYRLY-ZDUSSCGKSA-N 1 2 386.304 3.087 20 70 GGIDLO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1ccccc1I ZINC000159663594 565213794 /nfs/dbraw/zinc/21/37/94/565213794.db2.gz BQNNFFBOVHQGPU-WFASDCNBSA-N 1 2 384.261 3.494 20 70 GGIDLO O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1ccccc1I ZINC000159663594 565213797 /nfs/dbraw/zinc/21/37/97/565213797.db2.gz BQNNFFBOVHQGPU-WFASDCNBSA-N 1 2 384.261 3.494 20 70 GGIDLO Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(Br)n1 ZINC000159670433 565215354 /nfs/dbraw/zinc/21/53/54/565215354.db2.gz DRIHOASKMULNNT-UHFFFAOYSA-N 1 2 390.281 3.237 20 70 GGIDLO CSC1(CNC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)CCOCC1 ZINC000159766741 565217602 /nfs/dbraw/zinc/21/76/02/565217602.db2.gz RKRPWGNNIPVQQD-HNNXBMFYSA-N 1 2 383.583 3.049 20 70 GGIDLO Cc1ccc(-c2csc(NC(=O)CSCC[NH+]3CCOCC3)n2)cc1 ZINC000159798317 565218704 /nfs/dbraw/zinc/21/87/04/565218704.db2.gz XFXFVPUDDMRTGE-UHFFFAOYSA-N 1 2 377.535 3.122 20 70 GGIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)N(c1nccs1)C1CCCCC1 ZINC000159830676 565219808 /nfs/dbraw/zinc/21/98/08/565219808.db2.gz PSYQDZFVOGHWFV-OAHLLOKOSA-N 1 2 383.583 3.263 20 70 GGIDLO O=S(=O)(NCC[NH+]1CCCCC1)c1c(Cl)cc(F)cc1Br ZINC000159900179 565223019 /nfs/dbraw/zinc/22/30/19/565223019.db2.gz DKVYLJBTNRUHEH-UHFFFAOYSA-N 1 2 399.713 3.006 20 70 GGIDLO CC(=O)N(c1nc(CSCC[NH+]2CCOCC2)cs1)c1ccccc1 ZINC000159968150 565226675 /nfs/dbraw/zinc/22/66/75/565226675.db2.gz YWFUMRBLWOPDFZ-UHFFFAOYSA-N 1 2 377.535 3.393 20 70 GGIDLO COc1ccc([C@H](C)[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c(OC)c1 ZINC000160184199 565234053 /nfs/dbraw/zinc/23/40/53/565234053.db2.gz KMCVSLURWXWJEB-APPDUMDISA-N 1 2 393.281 3.344 20 70 GGIDLO O=C(Nc1cc(-c2ccc(Br)s2)[nH]n1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160286276 565238919 /nfs/dbraw/zinc/23/89/19/565238919.db2.gz LXJHKZHPITYWHU-SECBINFHSA-N 1 2 392.282 3.298 20 70 GGIDLO O=C(NCC1(c2ccc(Br)cc2)CCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160312315 565239844 /nfs/dbraw/zinc/23/98/44/565239844.db2.gz NSLHQSZCAWCKJC-CQSZACIVSA-N 1 2 388.309 3.446 20 70 GGIDLO CN(C)c1ccc(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)c(F)c1 ZINC000160291498 565240165 /nfs/dbraw/zinc/24/01/65/565240165.db2.gz MKVHLDRLWHTYDG-UHFFFAOYSA-N 1 2 391.244 3.232 20 70 GGIDLO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(Br)c(O)c1 ZINC000160395221 565244442 /nfs/dbraw/zinc/24/44/42/565244442.db2.gz SMWKFIBKOJGHRT-AWEZNQCLSA-N 1 2 379.254 3.315 20 70 GGIDLO COc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)cc1Cl ZINC000160479768 565247052 /nfs/dbraw/zinc/24/70/52/565247052.db2.gz DZSYPWKNEIXSPE-HNNXBMFYSA-N 1 2 383.673 3.427 20 70 GGIDLO CC[N@H+](CC1=Cc2cc(Cl)cc(Cl)c2OC1)[C@@H]1CCS(=O)(=O)C1 ZINC000160542145 565249683 /nfs/dbraw/zinc/24/96/83/565249683.db2.gz KFRRSFGGTKPGGM-CQSZACIVSA-N 1 2 376.305 3.278 20 70 GGIDLO CC[N@@H+](CC1=Cc2cc(Cl)cc(Cl)c2OC1)[C@@H]1CCS(=O)(=O)C1 ZINC000160542145 565249686 /nfs/dbraw/zinc/24/96/86/565249686.db2.gz KFRRSFGGTKPGGM-CQSZACIVSA-N 1 2 376.305 3.278 20 70 GGIDLO CC(C)C[C@H](CO)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000160631751 565254343 /nfs/dbraw/zinc/25/43/43/565254343.db2.gz UHYZCNGMACMHKG-IAGOWNOFSA-N 1 2 383.330 3.109 20 70 GGIDLO C[N@H+](CCOCc1ccccc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000161028079 565269181 /nfs/dbraw/zinc/26/91/81/565269181.db2.gz GWDDADGPNWKMTN-KRWDZBQOSA-N 1 2 377.282 3.124 20 70 GGIDLO C[N@@H+](CCOCc1ccccc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000161028079 565269189 /nfs/dbraw/zinc/26/91/89/565269189.db2.gz GWDDADGPNWKMTN-KRWDZBQOSA-N 1 2 377.282 3.124 20 70 GGIDLO O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161072482 565271528 /nfs/dbraw/zinc/27/15/28/565271528.db2.gz XKYUMLBVVIAPMN-ZDUSSCGKSA-N 1 2 376.913 3.291 20 70 GGIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)Nc1cccc(Cl)c1Cl ZINC000161150315 565275050 /nfs/dbraw/zinc/27/50/50/565275050.db2.gz GNFZPRAMFXHZQQ-UHFFFAOYSA-N 1 2 379.291 3.145 20 70 GGIDLO CCC[N@H+](CCCCS(C)(=O)=O)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000161153974 565275354 /nfs/dbraw/zinc/27/53/54/565275354.db2.gz RQMZDEUXWGMKMY-UHFFFAOYSA-N 1 2 395.352 3.469 20 70 GGIDLO CCC[N@@H+](CCCCS(C)(=O)=O)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000161153974 565275358 /nfs/dbraw/zinc/27/53/58/565275358.db2.gz RQMZDEUXWGMKMY-UHFFFAOYSA-N 1 2 395.352 3.469 20 70 GGIDLO O=C1[C@H]([NH+]2CCC([C@@H](O)C(F)(F)F)CC2)CCN1c1ccccc1Cl ZINC000161264820 565278895 /nfs/dbraw/zinc/27/88/95/565278895.db2.gz FKWBHPQPKPKHEJ-HUUCEWRRSA-N 1 2 376.806 3.081 20 70 GGIDLO C[C@@H](NC(=O)Nc1ccc(Br)c(Cl)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000161265175 565279308 /nfs/dbraw/zinc/27/93/08/565279308.db2.gz RYSOGEHPQDYANP-GHMZBOCLSA-N 1 2 390.709 3.333 20 70 GGIDLO CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000161288568 565280075 /nfs/dbraw/zinc/28/00/75/565280075.db2.gz ZNURXRJBBIWUQC-IAQYHMDHSA-N 1 2 376.444 3.371 20 70 GGIDLO CC[N@H+](CCCCS(C)(=O)=O)CC(=O)Nc1c(Cl)cccc1Cl ZINC000161309184 565280783 /nfs/dbraw/zinc/28/07/83/565280783.db2.gz TULUZNBEYFSKFB-UHFFFAOYSA-N 1 2 381.325 3.079 20 70 GGIDLO CC[N@@H+](CCCCS(C)(=O)=O)CC(=O)Nc1c(Cl)cccc1Cl ZINC000161309184 565280788 /nfs/dbraw/zinc/28/07/88/565280788.db2.gz TULUZNBEYFSKFB-UHFFFAOYSA-N 1 2 381.325 3.079 20 70 GGIDLO C[C@@H](NC(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)c1ccccc1Cl ZINC000161436047 565284480 /nfs/dbraw/zinc/28/44/80/565284480.db2.gz MCHNEIGGNHOGCS-BDJLRTHQSA-N 1 2 378.822 3.152 20 70 GGIDLO O=C1[C@@H]([NH+]2CCC([C@H](O)C(F)(F)F)CC2)CCN1c1ccc(Cl)cc1 ZINC000161459184 565285092 /nfs/dbraw/zinc/28/50/92/565285092.db2.gz PVOSOCSDAHFXNG-GJZGRUSLSA-N 1 2 376.806 3.081 20 70 GGIDLO O=C(c1ccc(Cl)cc1Br)N1CC[NH+](Cc2ccncc2)CC1 ZINC000159365371 565203785 /nfs/dbraw/zinc/20/37/85/565203785.db2.gz WYQYPPKPMRGRSE-UHFFFAOYSA-N 1 2 394.700 3.456 20 70 GGIDLO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159374303 565203974 /nfs/dbraw/zinc/20/39/74/565203974.db2.gz BVEYCSRYXVYRLY-CYBMUJFWSA-N 1 2 386.304 3.087 20 70 GGIDLO O=S(=O)(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc(Cl)sc1Cl ZINC000159365945 565204027 /nfs/dbraw/zinc/20/40/27/565204027.db2.gz NONQACKFUMGKRA-VIFPVBQESA-N 1 2 378.306 3.007 20 70 GGIDLO O=S(=O)(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc(Cl)sc1Cl ZINC000159366111 565204404 /nfs/dbraw/zinc/20/44/04/565204404.db2.gz NONQACKFUMGKRA-SECBINFHSA-N 1 2 378.306 3.007 20 70 GGIDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)NCCc2cscn2)CC1 ZINC000159551009 565210457 /nfs/dbraw/zinc/21/04/57/565210457.db2.gz CCLUGCURAFXYSD-AWEZNQCLSA-N 1 2 378.929 3.427 20 70 GGIDLO CCn1c(=O)c2cc(Br)ccc2nc1SCCn1cc[nH+]c1 ZINC000159709618 565215766 /nfs/dbraw/zinc/21/57/66/565215766.db2.gz IYPSRJZBEURDLA-UHFFFAOYSA-N 1 2 379.283 3.168 20 70 GGIDLO C[N@@H+](Cc1noc(Cc2ccc(Br)cc2)n1)C[C@@H]1CCC[C@@H]1O ZINC000159788962 565218250 /nfs/dbraw/zinc/21/82/50/565218250.db2.gz ZTKGYQSTQSJXCJ-ZFWWWQNUSA-N 1 2 380.286 3.016 20 70 GGIDLO C[N@H+](Cc1noc(Cc2ccc(Br)cc2)n1)C[C@@H]1CCC[C@@H]1O ZINC000159788962 565218256 /nfs/dbraw/zinc/21/82/56/565218256.db2.gz ZTKGYQSTQSJXCJ-ZFWWWQNUSA-N 1 2 380.286 3.016 20 70 GGIDLO C[N@@H+](Cc1noc(Cc2ccc(Br)cc2)n1)C[C@H]1CCC[C@@H]1O ZINC000159789104 565218893 /nfs/dbraw/zinc/21/88/93/565218893.db2.gz ZTKGYQSTQSJXCJ-HIFRSBDPSA-N 1 2 380.286 3.016 20 70 GGIDLO C[N@H+](Cc1noc(Cc2ccc(Br)cc2)n1)C[C@H]1CCC[C@@H]1O ZINC000159789104 565218901 /nfs/dbraw/zinc/21/89/01/565218901.db2.gz ZTKGYQSTQSJXCJ-HIFRSBDPSA-N 1 2 380.286 3.016 20 70 GGIDLO O=C(Nc1ccc(Br)cc1F)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159896108 565222510 /nfs/dbraw/zinc/22/25/10/565222510.db2.gz BJLUCEBQWXEFGU-LBPRGKRZSA-N 1 2 379.233 3.384 20 70 GGIDLO Cc1cc(NC(=O)[C@H](C)SCC[NH+]2CCOCC2)ccc1Br ZINC000159954441 565225342 /nfs/dbraw/zinc/22/53/42/565225342.db2.gz SYBDLMGYXKDJBQ-ZDUSSCGKSA-N 1 2 387.343 3.150 20 70 GGIDLO COc1ccc(Br)cc1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000159993357 565225983 /nfs/dbraw/zinc/22/59/83/565225983.db2.gz HBXKFLZUAAIXTQ-UHFFFAOYSA-N 1 2 390.281 3.383 20 70 GGIDLO CC(C)[NH+]1CCN(C(=O)[C@@H](C)CC(=O)c2cccc(Br)c2)CC1 ZINC000160055889 565229206 /nfs/dbraw/zinc/22/92/06/565229206.db2.gz LEQVBQPOJKTZLB-AWEZNQCLSA-N 1 2 381.314 3.211 20 70 GGIDLO CCCOc1c(Cl)cc(C[N@H+](CC)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000160545783 565249827 /nfs/dbraw/zinc/24/98/27/565249827.db2.gz ACNLIKWDIVFXCS-CQSZACIVSA-N 1 2 375.918 3.146 20 70 GGIDLO CCCOc1c(Cl)cc(C[N@@H+](CC)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000160545783 565249831 /nfs/dbraw/zinc/24/98/31/565249831.db2.gz ACNLIKWDIVFXCS-CQSZACIVSA-N 1 2 375.918 3.146 20 70 GGIDLO CC(C)S(=O)(=O)CCC[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000160808370 565260376 /nfs/dbraw/zinc/26/03/76/565260376.db2.gz RBJJIXPXLSUJKA-JKSUJKDBSA-N 1 2 380.337 3.097 20 70 GGIDLO CC(C)S(=O)(=O)CCC[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000160808370 565260377 /nfs/dbraw/zinc/26/03/77/565260377.db2.gz RBJJIXPXLSUJKA-JKSUJKDBSA-N 1 2 380.337 3.097 20 70 GGIDLO O=C(Nc1ccc(F)cc1Br)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160898318 565264105 /nfs/dbraw/zinc/26/41/05/565264105.db2.gz QMGTZIHFBGXXRQ-GFCCVEGCSA-N 1 2 379.233 3.384 20 70 GGIDLO C[N@H+](CC(=O)Nc1ccccc1Br)Cc1cnn(C(C)(C)C)c1 ZINC000161180821 565277022 /nfs/dbraw/zinc/27/70/22/565277022.db2.gz LYILJXJVFMXRGG-UHFFFAOYSA-N 1 2 379.302 3.471 20 70 GGIDLO C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1cnn(C(C)(C)C)c1 ZINC000161180821 565277025 /nfs/dbraw/zinc/27/70/25/565277025.db2.gz LYILJXJVFMXRGG-UHFFFAOYSA-N 1 2 379.302 3.471 20 70 GGIDLO COc1ccc(Br)c(CC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000161207539 565277508 /nfs/dbraw/zinc/27/75/08/565277508.db2.gz ZHYWFJNRTNOHCX-SUMWQHHRSA-N 1 2 392.297 3.306 20 70 GGIDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000161243189 565277949 /nfs/dbraw/zinc/27/79/49/565277949.db2.gz HSNZURRXRBCXMS-BBRMVZONSA-N 1 2 380.275 3.352 20 70 GGIDLO C[C@H](NC(=O)Nc1ccc(Br)c(Cl)c1)[C@H](C)[NH+]1CCOCC1 ZINC000161265310 565279112 /nfs/dbraw/zinc/27/91/12/565279112.db2.gz RYSOGEHPQDYANP-QWRGUYRKSA-N 1 2 390.709 3.333 20 70 GGIDLO O=C1[C@@H]([NH+]2CCC([C@H](O)C(F)(F)F)CC2)CCN1c1ccccc1Cl ZINC000161264504 565279445 /nfs/dbraw/zinc/27/94/45/565279445.db2.gz FKWBHPQPKPKHEJ-GJZGRUSLSA-N 1 2 376.806 3.081 20 70 GGIDLO COc1c(Br)c(C)sc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161320959 565280613 /nfs/dbraw/zinc/28/06/13/565280613.db2.gz RBWWJPGXTHYATL-LLVKDONJSA-N 1 2 396.310 3.231 20 70 GGIDLO Cc1ccc(C(=O)CC[N@@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000161398081 565283635 /nfs/dbraw/zinc/28/36/35/565283635.db2.gz PAIIKVQZCMOOKB-GOSISDBHSA-N 1 2 389.293 3.489 20 70 GGIDLO Cc1ccc(C(=O)CC[N@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000161398081 565283636 /nfs/dbraw/zinc/28/36/36/565283636.db2.gz PAIIKVQZCMOOKB-GOSISDBHSA-N 1 2 389.293 3.489 20 70 GGIDLO O=C1[C@@H]([NH+]2CCC([C@@H](O)C(F)(F)F)CC2)CCN1c1cccc(Cl)c1 ZINC000161444694 565283772 /nfs/dbraw/zinc/28/37/72/565283772.db2.gz RMXJJLSCSRODDF-LSDHHAIUSA-N 1 2 376.806 3.081 20 70 GGIDLO C[N@@H+]1CCN(C(=O)c2cc(Br)ccc2O)[C@H](c2ccccc2)C1 ZINC000216835620 565897568 /nfs/dbraw/zinc/89/75/68/565897568.db2.gz SNNPRLQMLNBOPP-INIZCTEOSA-N 1 2 375.266 3.284 20 70 GGIDLO C[N@H+]1CCN(C(=O)c2cc(Br)ccc2O)[C@H](c2ccccc2)C1 ZINC000216835620 565897573 /nfs/dbraw/zinc/89/75/73/565897573.db2.gz SNNPRLQMLNBOPP-INIZCTEOSA-N 1 2 375.266 3.284 20 70 GGIDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)NCCc2cscn2)CC1 ZINC000159551144 565210558 /nfs/dbraw/zinc/21/05/58/565210558.db2.gz CCLUGCURAFXYSD-CQSZACIVSA-N 1 2 378.929 3.427 20 70 GGIDLO COc1ccsc1S(=O)(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000159760106 565217446 /nfs/dbraw/zinc/21/74/46/565217446.db2.gz FSNCEUNTZDJMOQ-UHFFFAOYSA-N 1 2 390.914 3.151 20 70 GGIDLO COC(=O)c1ccc(-c2nc(CSCC[NH+]3CCOCC3)cs2)cc1 ZINC000159813066 565219178 /nfs/dbraw/zinc/21/91/78/565219178.db2.gz WXPJCTZMBKWVRK-UHFFFAOYSA-N 1 2 378.519 3.162 20 70 GGIDLO COc1ccc(-c2nc(CSCC[NH+]3CCOCC3)cs2)c(OC)c1 ZINC000159838991 565220237 /nfs/dbraw/zinc/22/02/37/565220237.db2.gz XKHKWCPWWFVFHY-UHFFFAOYSA-N 1 2 380.535 3.393 20 70 GGIDLO CC(C)[C@@H](SCC[NH+]1CCOCC1)C(=O)N1CCSc2ccccc21 ZINC000159915563 565224295 /nfs/dbraw/zinc/22/42/95/565224295.db2.gz MHWOHGOJWMHNJM-GOSISDBHSA-N 1 2 380.579 3.215 20 70 GGIDLO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000159950181 565225492 /nfs/dbraw/zinc/22/54/92/565225492.db2.gz CIZSJRCJGCTQJL-PMPSAXMXSA-N 1 2 376.547 3.411 20 70 GGIDLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCC[NH+]1CCOCC1 ZINC000160013480 565227940 /nfs/dbraw/zinc/22/79/40/565227940.db2.gz BDXRLIULXLPOFV-UHFFFAOYSA-N 1 2 377.337 3.017 20 70 GGIDLO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000160185426 565234665 /nfs/dbraw/zinc/23/46/65/565234665.db2.gz PWDPKKGUACDIFW-HWPZZCPQSA-N 1 2 381.245 3.474 20 70 GGIDLO COc1ccc(Br)c(CC(=O)NCc2cn3c(cccc3C)[nH+]2)c1 ZINC000160218398 565236275 /nfs/dbraw/zinc/23/62/75/565236275.db2.gz LHWWKJCNMRQJDN-UHFFFAOYSA-N 1 2 388.265 3.273 20 70 GGIDLO CNC(=O)c1ccc(OC)c(NCc2c[nH+]c3ccc(Br)cn23)c1 ZINC000160288028 565239914 /nfs/dbraw/zinc/23/99/14/565239914.db2.gz YEMXTXALTZRZOS-UHFFFAOYSA-N 1 2 389.253 3.077 20 70 GGIDLO O=C(NCC1(c2ccc(Br)cc2)CCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160312459 565240305 /nfs/dbraw/zinc/24/03/05/565240305.db2.gz NSLHQSZCAWCKJC-AWEZNQCLSA-N 1 2 388.309 3.446 20 70 GGIDLO CCCOc1c(Cl)cc(C[N@H+](CC)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000160545924 565249413 /nfs/dbraw/zinc/24/94/13/565249413.db2.gz ACNLIKWDIVFXCS-AWEZNQCLSA-N 1 2 375.918 3.146 20 70 GGIDLO CCCOc1c(Cl)cc(C[N@@H+](CC)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000160545924 565249421 /nfs/dbraw/zinc/24/94/21/565249421.db2.gz ACNLIKWDIVFXCS-AWEZNQCLSA-N 1 2 375.918 3.146 20 70 GGIDLO CC(C)C[C@@H](CO)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000160631640 565254468 /nfs/dbraw/zinc/25/44/68/565254468.db2.gz UHYZCNGMACMHKG-DLBZAZTESA-N 1 2 383.330 3.109 20 70 GGIDLO O=S(=O)(CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)c1cc(Cl)ccc1Cl ZINC000160819094 565260182 /nfs/dbraw/zinc/26/01/82/565260182.db2.gz PJWSVWCTESBAOK-CXAGYDPISA-N 1 2 392.348 3.394 20 70 GGIDLO O=S(=O)(CC[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)c1cc(Cl)ccc1Cl ZINC000160819094 565260187 /nfs/dbraw/zinc/26/01/87/565260187.db2.gz PJWSVWCTESBAOK-CXAGYDPISA-N 1 2 392.348 3.394 20 70 GGIDLO CCC[N@H+](Cc1cc(Cl)c(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000161080193 565272938 /nfs/dbraw/zinc/27/29/38/565272938.db2.gz FILRUVQASISCFU-CQSZACIVSA-N 1 2 375.918 3.146 20 70 GGIDLO CCC[N@@H+](Cc1cc(Cl)c(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000161080193 565272941 /nfs/dbraw/zinc/27/29/41/565272941.db2.gz FILRUVQASISCFU-CQSZACIVSA-N 1 2 375.918 3.146 20 70 GGIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)Nc1ccc(Cl)cc1Cl ZINC000161150191 565275381 /nfs/dbraw/zinc/27/53/81/565275381.db2.gz OVQJAQWVZWIWJN-UHFFFAOYSA-N 1 2 379.291 3.145 20 70 GGIDLO CC(C)(CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cccc(Br)c1 ZINC000161135511 565275551 /nfs/dbraw/zinc/27/55/51/565275551.db2.gz KRMDTJFXAWYBIL-CYBMUJFWSA-N 1 2 376.298 3.302 20 70 GGIDLO CCC[N@H+](CCCCS(C)(=O)=O)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000161172018 565276674 /nfs/dbraw/zinc/27/66/74/565276674.db2.gz OKOPRHVTBCXTCU-UHFFFAOYSA-N 1 2 395.352 3.469 20 70 GGIDLO CCC[N@@H+](CCCCS(C)(=O)=O)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000161172018 565276677 /nfs/dbraw/zinc/27/66/77/565276677.db2.gz OKOPRHVTBCXTCU-UHFFFAOYSA-N 1 2 395.352 3.469 20 70 GGIDLO Cn1cc(Br)cc1C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161275492 565278986 /nfs/dbraw/zinc/27/89/86/565278986.db2.gz XUBBMDQXKWOXED-UHFFFAOYSA-N 1 2 396.716 3.399 20 70 GGIDLO O=C1[C@@H]([NH+]2CCC([C@H](O)C(F)(F)F)CC2)CCN1c1cccc(Cl)c1 ZINC000161444429 565283596 /nfs/dbraw/zinc/28/35/96/565283596.db2.gz RMXJJLSCSRODDF-GJZGRUSLSA-N 1 2 376.806 3.081 20 70 GGIDLO CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1 ZINC000161477204 565285177 /nfs/dbraw/zinc/28/51/77/565285177.db2.gz XWHBZUOIOKZYKY-NHYWBVRUSA-N 1 2 376.444 3.371 20 70 GGIDLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cc(C(F)(F)F)ccc1F ZINC000159435262 565206706 /nfs/dbraw/zinc/20/67/06/565206706.db2.gz ULWCCNDNBBBWJO-AWEZNQCLSA-N 1 2 382.423 3.138 20 70 GGIDLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cc(C(F)(F)F)ccc1F ZINC000159435262 565206710 /nfs/dbraw/zinc/20/67/10/565206710.db2.gz ULWCCNDNBBBWJO-AWEZNQCLSA-N 1 2 382.423 3.138 20 70 GGIDLO COc1ccsc1S(=O)(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000159738800 565216416 /nfs/dbraw/zinc/21/64/16/565216416.db2.gz ZYTGCPNPSUCQBT-UHFFFAOYSA-N 1 2 379.507 3.074 20 70 GGIDLO COc1ccsc1S(=O)(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000159737806 565216748 /nfs/dbraw/zinc/21/67/48/565216748.db2.gz NMLWMPRSQARTPI-UHFFFAOYSA-N 1 2 398.575 3.415 20 70 GGIDLO Cc1ccsc1[C@H]1C[C@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000159950585 565225378 /nfs/dbraw/zinc/22/53/78/565225378.db2.gz CIZSJRCJGCTQJL-XHSDSOJGSA-N 1 2 376.547 3.411 20 70 GGIDLO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000159950327 565225397 /nfs/dbraw/zinc/22/53/97/565225397.db2.gz CIZSJRCJGCTQJL-JYJNAYRXSA-N 1 2 376.547 3.411 20 70 GGIDLO COC(=O)c1cccc(-c2nc(CSCC[NH+]3CCOCC3)cs2)c1 ZINC000159999644 565226602 /nfs/dbraw/zinc/22/66/02/565226602.db2.gz YRCHUAJJUQAWMV-UHFFFAOYSA-N 1 2 378.519 3.162 20 70 GGIDLO COc1ccc(Br)c(CC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000160041832 565229054 /nfs/dbraw/zinc/22/90/54/565229054.db2.gz LVNLZOWRYJAJFY-UHFFFAOYSA-N 1 2 378.270 3.060 20 70 GGIDLO O=C(c1ccc(Cl)cc1Br)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160190798 565234711 /nfs/dbraw/zinc/23/47/11/565234711.db2.gz GHVLWWBAXIGDOV-UHFFFAOYSA-N 1 2 394.700 3.456 20 70 GGIDLO O=C(Nc1cc(-c2ccc(Br)s2)[nH]n1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160286409 565238694 /nfs/dbraw/zinc/23/86/94/565238694.db2.gz LXJHKZHPITYWHU-VIFPVBQESA-N 1 2 392.282 3.298 20 70 GGIDLO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(Br)c(O)c1 ZINC000160395075 565244373 /nfs/dbraw/zinc/24/43/73/565244373.db2.gz SMWKFIBKOJGHRT-CQSZACIVSA-N 1 2 379.254 3.315 20 70 GGIDLO O=C(NCCCn1cc[nH+]c1)c1cc(C(F)(F)F)ccc1Br ZINC000160528476 565249397 /nfs/dbraw/zinc/24/93/97/565249397.db2.gz OJEVHFFFJRHMEB-UHFFFAOYSA-N 1 2 376.176 3.485 20 70 GGIDLO Cn1nc(Br)c2c1nc[nH+]c2N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000160621873 565252869 /nfs/dbraw/zinc/25/28/69/565252869.db2.gz MOOAKLIEDCSNTJ-OLZOCXBDSA-N 1 2 388.269 3.458 20 70 GGIDLO CC(C)C[C@H](CO)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000160631940 565253877 /nfs/dbraw/zinc/25/38/77/565253877.db2.gz UHYZCNGMACMHKG-SJORKVTESA-N 1 2 383.330 3.109 20 70 GGIDLO O=C(C[N@@H+]1CCC2(C1)OCCO2)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000160663588 565255612 /nfs/dbraw/zinc/25/56/12/565255612.db2.gz YAAMPXMASKVVRK-INIZCTEOSA-N 1 2 385.291 3.106 20 70 GGIDLO O=C(C[N@H+]1CCC2(C1)OCCO2)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000160663588 565255616 /nfs/dbraw/zinc/25/56/16/565255616.db2.gz YAAMPXMASKVVRK-INIZCTEOSA-N 1 2 385.291 3.106 20 70 GGIDLO CCCC[N@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160760566 565258320 /nfs/dbraw/zinc/25/83/20/565258320.db2.gz JZDSHBHEFDWMPW-GOSISDBHSA-N 1 2 381.929 3.315 20 70 GGIDLO CCCC[N@@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160760566 565258326 /nfs/dbraw/zinc/25/83/26/565258326.db2.gz JZDSHBHEFDWMPW-GOSISDBHSA-N 1 2 381.929 3.315 20 70 GGIDLO CC(C)S(=O)(=O)CCC[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000160808493 565260268 /nfs/dbraw/zinc/26/02/68/565260268.db2.gz RBJJIXPXLSUJKA-HOTGVXAUSA-N 1 2 380.337 3.097 20 70 GGIDLO CC(C)S(=O)(=O)CCC[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000160808493 565260272 /nfs/dbraw/zinc/26/02/72/565260272.db2.gz RBJJIXPXLSUJKA-HOTGVXAUSA-N 1 2 380.337 3.097 20 70 GGIDLO O=S(=O)(CC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)c1cc(Cl)ccc1Cl ZINC000160819222 565260985 /nfs/dbraw/zinc/26/09/85/565260985.db2.gz PJWSVWCTESBAOK-DYVFJYSZSA-N 1 2 392.348 3.394 20 70 GGIDLO O=S(=O)(CC[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)c1cc(Cl)ccc1Cl ZINC000160819222 565260990 /nfs/dbraw/zinc/26/09/90/565260990.db2.gz PJWSVWCTESBAOK-DYVFJYSZSA-N 1 2 392.348 3.394 20 70 GGIDLO C[N@H+](CCOCc1ccccc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000161028203 565268871 /nfs/dbraw/zinc/26/88/71/565268871.db2.gz GWDDADGPNWKMTN-QGZVFWFLSA-N 1 2 377.282 3.124 20 70 GGIDLO C[N@@H+](CCOCc1ccccc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000161028203 565268876 /nfs/dbraw/zinc/26/88/76/565268876.db2.gz GWDDADGPNWKMTN-QGZVFWFLSA-N 1 2 377.282 3.124 20 70 GGIDLO COC(C[N@@H+]1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1)OC ZINC000161065077 565271377 /nfs/dbraw/zinc/27/13/77/565271377.db2.gz FJOVPQHAHVYLKF-CQSZACIVSA-N 1 2 396.285 3.179 20 70 GGIDLO COC(C[N@H+]1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1)OC ZINC000161065077 565271382 /nfs/dbraw/zinc/27/13/82/565271382.db2.gz FJOVPQHAHVYLKF-CQSZACIVSA-N 1 2 396.285 3.179 20 70 GGIDLO COC(C[N@@H+]1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1)OC ZINC000161065176 565271397 /nfs/dbraw/zinc/27/13/97/565271397.db2.gz FJOVPQHAHVYLKF-AWEZNQCLSA-N 1 2 396.285 3.179 20 70 GGIDLO COC(C[N@H+]1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1)OC ZINC000161065176 565271404 /nfs/dbraw/zinc/27/14/04/565271404.db2.gz FJOVPQHAHVYLKF-AWEZNQCLSA-N 1 2 396.285 3.179 20 70 GGIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000161143625 565274825 /nfs/dbraw/zinc/27/48/25/565274825.db2.gz RITPACSIVGNPMT-UHFFFAOYSA-N 1 2 379.291 3.145 20 70 GGIDLO Cc1ccc2[nH+]cc(CN(C)CC(=O)Nc3ccccc3Br)n2c1 ZINC000161182045 565276515 /nfs/dbraw/zinc/27/65/15/565276515.db2.gz ADLDRINMHIAFSI-UHFFFAOYSA-N 1 2 387.281 3.476 20 70 GGIDLO CCOc1cccc(C[N@H+](C)CC(=O)Nc2ccccc2Br)n1 ZINC000161174015 565276752 /nfs/dbraw/zinc/27/67/52/565276752.db2.gz LUNMOPPYNSASDW-UHFFFAOYSA-N 1 2 378.270 3.313 20 70 GGIDLO CCOc1cccc(C[N@@H+](C)CC(=O)Nc2ccccc2Br)n1 ZINC000161174015 565276754 /nfs/dbraw/zinc/27/67/54/565276754.db2.gz LUNMOPPYNSASDW-UHFFFAOYSA-N 1 2 378.270 3.313 20 70 GGIDLO O=C1[C@H]([NH+]2CCC([C@H](O)C(F)(F)F)CC2)CCN1c1ccccc1Cl ZINC000161264612 565279499 /nfs/dbraw/zinc/27/94/99/565279499.db2.gz FKWBHPQPKPKHEJ-CABCVRRESA-N 1 2 376.806 3.081 20 70 GGIDLO C[C@H](NC(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1)c1ccccc1Cl ZINC000161435650 565284158 /nfs/dbraw/zinc/28/41/58/565284158.db2.gz MCHNEIGGNHOGCS-ZBEGNZNMSA-N 1 2 378.822 3.152 20 70 GGIDLO CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1 ZINC000161477441 565284962 /nfs/dbraw/zinc/28/49/62/565284962.db2.gz XWHBZUOIOKZYKY-XHDPSFHLSA-N 1 2 376.444 3.371 20 70 GGIDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Cc2cc(Br)ccc2F)C1 ZINC000159374863 565203854 /nfs/dbraw/zinc/20/38/54/565203854.db2.gz BVWMZMRRCRQAAX-ZDUSSCGKSA-N 1 2 394.288 3.346 20 70 GGIDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Cc2cc(F)ccc2Br)C1 ZINC000159375159 565204270 /nfs/dbraw/zinc/20/42/70/565204270.db2.gz QELXVPKEOVHKIR-ZDUSSCGKSA-N 1 2 394.288 3.346 20 70 GGIDLO O=C(NCc1cn2ccccc2[nH+]1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000159494244 565208322 /nfs/dbraw/zinc/20/83/22/565208322.db2.gz QLZGYAVKJGUERY-UHFFFAOYSA-N 1 2 396.248 3.213 20 70 GGIDLO Cc1ccc(F)c(OCC(=O)NCc2cn3cc(Br)ccc3[nH+]2)c1 ZINC000159707825 565215274 /nfs/dbraw/zinc/21/52/74/565215274.db2.gz RQBPRYDKVOPDSF-UHFFFAOYSA-N 1 2 392.228 3.240 20 70 GGIDLO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)CCCn1cc[nH+]c1 ZINC000159709267 565215549 /nfs/dbraw/zinc/21/55/49/565215549.db2.gz XQBRBMGABQFNMI-KDOFPFPSSA-N 1 2 392.297 3.414 20 70 GGIDLO NC(=O)CC1CC[NH+](Cc2ccc(Br)c(Br)c2)CC1 ZINC000159763515 565218367 /nfs/dbraw/zinc/21/83/67/565218367.db2.gz OXHNIHFLBLWTBO-UHFFFAOYSA-N 1 2 390.119 3.299 20 70 GGIDLO Brc1csc(-c2noc(CSCC[NH+]3CCOCC3)n2)c1 ZINC000159891885 565222941 /nfs/dbraw/zinc/22/29/41/565222941.db2.gz PUATZGJYCALFDR-UHFFFAOYSA-N 1 2 390.328 3.126 20 70 GGIDLO CC(C)[C@H](SCC[NH+]1CCOCC1)C(=O)N1CCSc2ccccc21 ZINC000159915419 565224118 /nfs/dbraw/zinc/22/41/18/565224118.db2.gz MHWOHGOJWMHNJM-SFHVURJKSA-N 1 2 380.579 3.215 20 70 GGIDLO Cc1ccc(NC(=O)[C@H](C)SCC[NH+]2CCOCC2)c(Br)c1 ZINC000159919659 565224248 /nfs/dbraw/zinc/22/42/48/565224248.db2.gz OUFPEULQTLREEP-ZDUSSCGKSA-N 1 2 387.343 3.150 20 70 GGIDLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000159950476 565225147 /nfs/dbraw/zinc/22/51/47/565225147.db2.gz CIZSJRCJGCTQJL-OAGGEKHMSA-N 1 2 376.547 3.411 20 70 GGIDLO CCOC(=O)C[C@@H](C)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000160113694 565231466 /nfs/dbraw/zinc/23/14/66/565231466.db2.gz SJYZFCTVRGVGLH-DYVFJYSZSA-N 1 2 397.313 3.044 20 70 GGIDLO CCOC(=O)C[C@@H](C)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000160113441 565231818 /nfs/dbraw/zinc/23/18/18/565231818.db2.gz SJYZFCTVRGVGLH-CXAGYDPISA-N 1 2 397.313 3.044 20 70 GGIDLO COc1ccc([C@H](C)[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c(OC)c1 ZINC000160183946 565233680 /nfs/dbraw/zinc/23/36/80/565233680.db2.gz KMCVSLURWXWJEB-GTNSWQLSSA-N 1 2 393.281 3.344 20 70 GGIDLO COc1c(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)c(C)nn1C ZINC000160164322 565233748 /nfs/dbraw/zinc/23/37/48/565233748.db2.gz AZKCOMLDPXIPCY-UHFFFAOYSA-N 1 2 390.285 3.180 20 70 GGIDLO Cn1nc(Br)c2c1nc[nH+]c2NC[C@](C)(O)c1ccccc1Cl ZINC000160182989 565234037 /nfs/dbraw/zinc/23/40/37/565234037.db2.gz SXTGGIFRDORXEX-HNNXBMFYSA-N 1 2 396.676 3.099 20 70 GGIDLO Cn1nc(Br)c2c1nc[nH+]c2NC[C@@](C)(O)c1ccccc1Cl ZINC000160182865 565234329 /nfs/dbraw/zinc/23/43/29/565234329.db2.gz SXTGGIFRDORXEX-OAHLLOKOSA-N 1 2 396.676 3.099 20 70 GGIDLO COc1ccc([C@@H](C)[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c(OC)c1 ZINC000160184344 565234356 /nfs/dbraw/zinc/23/43/56/565234356.db2.gz KMCVSLURWXWJEB-PIGZYNQJSA-N 1 2 393.281 3.344 20 70 GGIDLO COc1ccc([C@@H](C)[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c(OC)c1 ZINC000160184060 565234360 /nfs/dbraw/zinc/23/43/60/565234360.db2.gz KMCVSLURWXWJEB-DIFFPNOSSA-N 1 2 393.281 3.344 20 70 GGIDLO COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000160185299 565235184 /nfs/dbraw/zinc/23/51/84/565235184.db2.gz PWDPKKGUACDIFW-QFYYESIMSA-N 1 2 381.245 3.474 20 70 GGIDLO C[N@H+](Cc1ncc(-c2ccccc2Br)o1)[C@H]1CCCCNC1=O ZINC000160298089 565239754 /nfs/dbraw/zinc/23/97/54/565239754.db2.gz YEBDTFMUJMWADW-AWEZNQCLSA-N 1 2 378.270 3.205 20 70 GGIDLO C[N@@H+](Cc1ncc(-c2ccccc2Br)o1)[C@H]1CCCCNC1=O ZINC000160298089 565239758 /nfs/dbraw/zinc/23/97/58/565239758.db2.gz YEBDTFMUJMWADW-AWEZNQCLSA-N 1 2 378.270 3.205 20 70 GGIDLO O=C(NCCCn1cc[nH+]c1)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000160289262 565240100 /nfs/dbraw/zinc/24/01/00/565240100.db2.gz MDKIFYVLUQUPDD-AWEZNQCLSA-N 1 2 383.279 3.443 20 70 GGIDLO O=C(NCCCn1cc[nH+]c1)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000160289113 565240208 /nfs/dbraw/zinc/24/02/08/565240208.db2.gz MDKIFYVLUQUPDD-CQSZACIVSA-N 1 2 383.279 3.443 20 70 GGIDLO CC[N@H+](CC1=Cc2cc(Cl)cc(Cl)c2OC1)[C@H]1CCS(=O)(=O)C1 ZINC000160542269 565249457 /nfs/dbraw/zinc/24/94/57/565249457.db2.gz KFRRSFGGTKPGGM-AWEZNQCLSA-N 1 2 376.305 3.278 20 70 GGIDLO CC[N@@H+](CC1=Cc2cc(Cl)cc(Cl)c2OC1)[C@H]1CCS(=O)(=O)C1 ZINC000160542269 565249461 /nfs/dbraw/zinc/24/94/61/565249461.db2.gz KFRRSFGGTKPGGM-AWEZNQCLSA-N 1 2 376.305 3.278 20 70 GGIDLO CC(C)C[C@@H](CO)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000160631832 565254431 /nfs/dbraw/zinc/25/44/31/565254431.db2.gz UHYZCNGMACMHKG-IRXDYDNUSA-N 1 2 383.330 3.109 20 70 GGIDLO O=S(=O)(c1c(Cl)cc(F)cc1Br)N1CCc2c[nH+]ccc21 ZINC000160974686 565266589 /nfs/dbraw/zinc/26/65/89/565266589.db2.gz MIFUQYIIMGFEOY-UHFFFAOYSA-N 1 2 391.649 3.388 20 70 GGIDLO COc1cc(OC)c(NC(=O)N(C)CCCn2cc[nH+]c2)cc1Br ZINC000161115635 565274112 /nfs/dbraw/zinc/27/41/12/565274112.db2.gz FVSQCVHUJLSMAT-UHFFFAOYSA-N 1 2 397.273 3.217 20 70 GGIDLO CC[NH+]1CCN(C(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)CC1 ZINC000161140410 565274895 /nfs/dbraw/zinc/27/48/95/565274895.db2.gz OJBKEOBSIIHSNL-UHFFFAOYSA-N 1 2 384.263 3.338 20 70 GGIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)Nc1c(Cl)cccc1Cl ZINC000161151622 565275422 /nfs/dbraw/zinc/27/54/22/565275422.db2.gz JWWPPQBVBPSIOC-UHFFFAOYSA-N 1 2 379.291 3.145 20 70 GGIDLO CCOC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2ccccc2Br)o1 ZINC000161179763 565276488 /nfs/dbraw/zinc/27/64/88/565276488.db2.gz JNNIUMPVBFGFDU-UHFFFAOYSA-N 1 2 395.253 3.289 20 70 GGIDLO CCOC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2Br)o1 ZINC000161179763 565276492 /nfs/dbraw/zinc/27/64/92/565276492.db2.gz JNNIUMPVBFGFDU-UHFFFAOYSA-N 1 2 395.253 3.289 20 70 GGIDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000161242988 565277744 /nfs/dbraw/zinc/27/77/44/565277744.db2.gz HSNZURRXRBCXMS-CJNGLKHVSA-N 1 2 380.275 3.352 20 70 GGIDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000161243091 565277786 /nfs/dbraw/zinc/27/77/86/565277786.db2.gz HSNZURRXRBCXMS-CZUORRHYSA-N 1 2 380.275 3.352 20 70 GGIDLO COc1ccc(Br)cc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161247865 565277837 /nfs/dbraw/zinc/27/78/37/565277837.db2.gz FHXPCGUVIZAOEN-CYBMUJFWSA-N 1 2 391.269 3.253 20 70 GGIDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000161243308 565278058 /nfs/dbraw/zinc/27/80/58/565278058.db2.gz HSNZURRXRBCXMS-XJKSGUPXSA-N 1 2 380.275 3.352 20 70 GGIDLO CC(C)(CNC(=O)Nc1ccc(Br)c(Cl)c1)[NH+]1CCOCC1 ZINC000161312725 565280267 /nfs/dbraw/zinc/28/02/67/565280267.db2.gz XIRFDUNGBIKIOP-UHFFFAOYSA-N 1 2 390.709 3.335 20 70 GGIDLO COc1c(Br)c(C)sc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161321067 565280723 /nfs/dbraw/zinc/28/07/23/565280723.db2.gz RBWWJPGXTHYATL-NSHDSACASA-N 1 2 396.310 3.231 20 70 GGIDLO C[C@H](NC(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)c1ccccc1Cl ZINC000161435916 565283947 /nfs/dbraw/zinc/28/39/47/565283947.db2.gz MCHNEIGGNHOGCS-MEDUHNTESA-N 1 2 378.822 3.152 20 70 GGIDLO O=C(Cc1c[nH]c2cccc(Br)c12)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161474536 565285436 /nfs/dbraw/zinc/28/54/36/565285436.db2.gz DABRSZJHYPIUPU-CQSZACIVSA-N 1 2 399.292 3.263 20 70 GGIDLO O=C1[C@H]([NH+]2CCC([C@@H](O)C(F)(F)F)CC2)CCN1c1ccc(Cl)cc1 ZINC000161459513 565285604 /nfs/dbraw/zinc/28/56/04/565285604.db2.gz PVOSOCSDAHFXNG-HUUCEWRRSA-N 1 2 376.806 3.081 20 70 GGIDLO [O-]c1c(Br)cc(C[NH2+]CCCn2cc[nH+]c2)cc1Br ZINC000218360365 565898595 /nfs/dbraw/zinc/89/85/95/565898595.db2.gz WTYHWKVKBKEKJI-UHFFFAOYSA-N 1 2 389.091 3.294 20 70 GGIDLO CC[NH+]1CCC([NH2+]Cc2cc(Br)c([O-])c(Br)c2)CC1 ZINC000218400674 565899979 /nfs/dbraw/zinc/89/99/79/565899979.db2.gz IYBQEPCYFNAOIC-UHFFFAOYSA-N 1 2 392.135 3.491 20 70 GGIDLO COCCOCCC[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000218750134 565901157 /nfs/dbraw/zinc/90/11/57/565901157.db2.gz ZAYOGXDMZMQOCQ-UHFFFAOYSA-N 1 2 397.107 3.060 20 70 GGIDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Cc2cc(F)ccc2Br)C1 ZINC000159375296 565204144 /nfs/dbraw/zinc/20/41/44/565204144.db2.gz QELXVPKEOVHKIR-CYBMUJFWSA-N 1 2 394.288 3.346 20 70 GGIDLO CCC[N@H+](CC(=O)N(C)C)Cc1ncc(-c2ccccc2Br)o1 ZINC000159498620 565207801 /nfs/dbraw/zinc/20/78/01/565207801.db2.gz WKZSGQSRXYYERN-UHFFFAOYSA-N 1 2 380.286 3.404 20 70 GGIDLO CCC[N@@H+](CC(=O)N(C)C)Cc1ncc(-c2ccccc2Br)o1 ZINC000159498620 565207805 /nfs/dbraw/zinc/20/78/05/565207805.db2.gz WKZSGQSRXYYERN-UHFFFAOYSA-N 1 2 380.286 3.404 20 70 GGIDLO CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000159473961 565207874 /nfs/dbraw/zinc/20/78/74/565207874.db2.gz MRNSMZJPFGVEGM-LBPRGKRZSA-N 1 2 380.261 3.396 20 70 GGIDLO CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159473842 565207923 /nfs/dbraw/zinc/20/79/23/565207923.db2.gz MRNSMZJPFGVEGM-GFCCVEGCSA-N 1 2 380.261 3.396 20 70 GGIDLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CSCC[NH+]1CCOCC1 ZINC000159949546 565225193 /nfs/dbraw/zinc/22/51/93/565225193.db2.gz HFBBYVAFXUVPPG-UHFFFAOYSA-N 1 2 377.337 3.017 20 70 GGIDLO O=C(CSCC[NH+]1CCOCC1)Nc1ccc(Br)cc1Cl ZINC000159960097 565225516 /nfs/dbraw/zinc/22/55/16/565225516.db2.gz HTQKEEYVIKUKNF-UHFFFAOYSA-N 1 2 393.734 3.106 20 70 GGIDLO Brc1ccc(-c2noc(CSCC[NH+]3CCOCC3)n2)s1 ZINC000160033006 565227593 /nfs/dbraw/zinc/22/75/93/565227593.db2.gz XJMPFSSSQOANGH-UHFFFAOYSA-N 1 2 390.328 3.126 20 70 GGIDLO C[C@H](NC(=O)CSCC[NH+]1CCOCC1)c1ccc(Cl)cc1Cl ZINC000160010605 565227808 /nfs/dbraw/zinc/22/78/08/565227808.db2.gz FNFUKGUUYLLTCM-LBPRGKRZSA-N 1 2 377.337 3.236 20 70 GGIDLO CC(C)[NH+]1CCN(C(=O)[C@H](C)CC(=O)c2cccc(Br)c2)CC1 ZINC000160056026 565228382 /nfs/dbraw/zinc/22/83/82/565228382.db2.gz LEQVBQPOJKTZLB-CQSZACIVSA-N 1 2 381.314 3.211 20 70 GGIDLO CCOC(=O)C[C@H](C)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000160113580 565231280 /nfs/dbraw/zinc/23/12/80/565231280.db2.gz SJYZFCTVRGVGLH-SUMWQHHRSA-N 1 2 397.313 3.044 20 70 GGIDLO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000160185561 565234738 /nfs/dbraw/zinc/23/47/38/565234738.db2.gz PWDPKKGUACDIFW-MGPLVRAMSA-N 1 2 381.245 3.474 20 70 GGIDLO Cn1nc(Br)c2c1nc[nH+]c2N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000160622284 565252586 /nfs/dbraw/zinc/25/25/86/565252586.db2.gz MOOAKLIEDCSNTJ-QWHCGFSZSA-N 1 2 388.269 3.458 20 70 GGIDLO O=C(C[N@@H+]1CCC2(C1)OCCO2)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000160663712 565255229 /nfs/dbraw/zinc/25/52/29/565255229.db2.gz YAAMPXMASKVVRK-MRXNPFEDSA-N 1 2 385.291 3.106 20 70 GGIDLO O=C(C[N@H+]1CCC2(C1)OCCO2)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000160663712 565255234 /nfs/dbraw/zinc/25/52/34/565255234.db2.gz YAAMPXMASKVVRK-MRXNPFEDSA-N 1 2 385.291 3.106 20 70 GGIDLO O=C(Nc1ccc(F)cc1Br)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160898182 565264547 /nfs/dbraw/zinc/26/45/47/565264547.db2.gz QMGTZIHFBGXXRQ-LBPRGKRZSA-N 1 2 379.233 3.384 20 70 GGIDLO Cc1c(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)cnn1CC(C)C ZINC000161009245 565268862 /nfs/dbraw/zinc/26/88/62/565268862.db2.gz WRYMPODASKNOIB-UHFFFAOYSA-N 1 2 390.285 3.188 20 70 GGIDLO C[C@@H](NC(=O)Nc1ccc(Br)c(Cl)c1)[C@H](C)[NH+]1CCOCC1 ZINC000161265432 565279559 /nfs/dbraw/zinc/27/95/59/565279559.db2.gz RYSOGEHPQDYANP-MNOVXSKESA-N 1 2 390.709 3.333 20 70 GGIDLO CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000161288442 565280402 /nfs/dbraw/zinc/28/04/02/565280402.db2.gz ZNURXRJBBIWUQC-XHDPSFHLSA-N 1 2 376.444 3.371 20 70 GGIDLO O=C1[C@H]([NH+]2CCC([C@@H](O)C(F)(F)F)CC2)CCN1c1cccc(Cl)c1 ZINC000161444818 565284172 /nfs/dbraw/zinc/28/41/72/565284172.db2.gz RMXJJLSCSRODDF-HUUCEWRRSA-N 1 2 376.806 3.081 20 70 GGIDLO O=C1[C@@H]([NH+]2CCC([C@@H](O)C(F)(F)F)CC2)CCN1c1ccc(Cl)cc1 ZINC000161459407 565284825 /nfs/dbraw/zinc/28/48/25/565284825.db2.gz PVOSOCSDAHFXNG-LSDHHAIUSA-N 1 2 376.806 3.081 20 70 GGIDLO O=C1[C@H]([NH+]2CCC([C@H](O)C(F)(F)F)CC2)CCN1c1ccc(Cl)cc1 ZINC000161459307 565285151 /nfs/dbraw/zinc/28/51/51/565285151.db2.gz PVOSOCSDAHFXNG-CABCVRRESA-N 1 2 376.806 3.081 20 70 GGIDLO O=C(Cc1c[nH]c2cccc(Br)c12)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161474418 565285641 /nfs/dbraw/zinc/28/56/41/565285641.db2.gz DABRSZJHYPIUPU-AWEZNQCLSA-N 1 2 399.292 3.263 20 70 GGIDLO O=S(=O)(F)c1ccnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164995139 722213791 /nfs/dbraw/zinc/21/37/91/722213791.db2.gz GYDJENBXIDOULQ-IBGZPJMESA-N 1 2 393.459 3.124 20 70 GGIDLO O=S(=O)(F)c1ccnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164995139 722213792 /nfs/dbraw/zinc/21/37/92/722213792.db2.gz GYDJENBXIDOULQ-IBGZPJMESA-N 1 2 393.459 3.124 20 70 GGIDLO