smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@H+](C)C2)cc1OCC ZINC000216911838 241220078 /nfs/dbraw/zinc/22/00/78/241220078.db2.gz PCFMBFCWGROVOR-GOEBONIOSA-N 1 0 334.460 3.003 40 70 EGIBRO C[N@@H+](Cc1nc2cc(Br)ccc2[nH]1)CC1CCOCC1 ZINC000161352260 323223468 /nfs/dbraw/zinc/22/34/68/323223468.db2.gz YBXJDWPPGYGPGS-UHFFFAOYSA-N 1 0 338.249 3.184 40 70 EGIBRO C[N@@H+]1CCC[C@H](C(=O)NCCCSCc2cccc(Cl)c2)C1 ZINC000216916928 241222322 /nfs/dbraw/zinc/22/23/22/241222322.db2.gz JAPSLCSMORHYDX-HNNXBMFYSA-N 1 0 340.920 3.421 40 70 EGIBRO CC(C)Oc1cccc(CCCNC(=O)CC2CC[NH+](C)CC2)c1 ZINC000216900481 535035453 /nfs/dbraw/zinc/03/54/53/535035453.db2.gz RAHXXKBLGIEHBJ-UHFFFAOYSA-N 1 0 332.488 3.255 40 70 EGIBRO CCOc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](C)C2)cc1OCC ZINC000216911810 535410219 /nfs/dbraw/zinc/41/02/19/535410219.db2.gz PCFMBFCWGROVOR-GDBMZVCRSA-N 1 0 334.460 3.003 40 70 EGIBRO C[NH+]1CCC(C(=O)NCCCSCc2ccccc2Cl)CC1 ZINC000216923746 241223164 /nfs/dbraw/zinc/22/31/64/241223164.db2.gz BBVVCPAEVFYKRH-UHFFFAOYSA-N 1 0 340.920 3.421 40 70 EGIBRO CCCOc1ccccc1CCCNC(=O)CC1CC[NH+](C)CC1 ZINC000216903760 241220436 /nfs/dbraw/zinc/22/04/36/241220436.db2.gz ISMWUHGAKLUUFI-UHFFFAOYSA-N 1 0 332.488 3.256 40 70 EGIBRO C[N@@H+]1CCC[C@@H](C(=O)NCCSCc2c(F)cccc2Cl)C1 ZINC000216907667 536362120 /nfs/dbraw/zinc/36/21/20/536362120.db2.gz LNAIVOKBWYZJFJ-GFCCVEGCSA-N 1 0 344.883 3.170 40 70 EGIBRO C[NH+]1CCC(CC(=O)NCCCSCc2ccccc2F)CC1 ZINC000216903501 241220180 /nfs/dbraw/zinc/22/01/80/241220180.db2.gz RCXZXTLJSNFVSI-UHFFFAOYSA-N 1 0 338.492 3.297 40 70 EGIBRO CCOc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@H+](C)C2)cc1OCC ZINC000216911894 241220551 /nfs/dbraw/zinc/22/05/51/241220551.db2.gz PCFMBFCWGROVOR-HOCLYGCPSA-N 1 0 334.460 3.003 40 70 EGIBRO Cc1cccc(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000216930269 241225909 /nfs/dbraw/zinc/22/59/09/241225909.db2.gz PFNKAAQCDSVQSH-UHFFFAOYSA-N 1 0 338.451 3.398 40 70 EGIBRO CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000217028444 536044807 /nfs/dbraw/zinc/04/48/07/536044807.db2.gz WPSXVNXTDUKLED-SFHVURJKSA-N 1 0 332.488 3.309 40 70 EGIBRO C[NH+]1CCC(C(=O)NCCSCc2ccc(Cl)cc2)CC1 ZINC000216919712 241223565 /nfs/dbraw/zinc/22/35/65/241223565.db2.gz MPOOPQLRBSCVSY-UHFFFAOYSA-N 1 0 326.893 3.031 40 70 EGIBRO C[N@@H+]1CCC[C@H](C(=O)NCCCSCc2ccccc2Cl)C1 ZINC000216916866 241224151 /nfs/dbraw/zinc/22/41/51/241224151.db2.gz DJFOGBKYSBSFDQ-AWEZNQCLSA-N 1 0 340.920 3.421 40 70 EGIBRO Cc1cc(C)cc(CSCC(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000216928626 241224549 /nfs/dbraw/zinc/22/45/49/241224549.db2.gz FFQZMEQHHSDKQK-UHFFFAOYSA-N 1 0 334.529 3.385 40 70 EGIBRO COc1ccc([C@@H](NC(=O)[C@@H]2CC[NH2+]C2)c2ccccc2Cl)cc1 ZINC000160421212 455457372 /nfs/dbraw/zinc/45/73/72/455457372.db2.gz FAOOZBZJZPJESV-RDTXWAMCSA-N 1 0 344.842 3.164 40 70 EGIBRO CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000217027992 535818116 /nfs/dbraw/zinc/81/81/16/535818116.db2.gz YRSQLQCATPSCSJ-GOSISDBHSA-N 1 0 332.488 3.309 40 70 EGIBRO COc1ccc2c(c1)[C@@H](NC(=O)CC1CC[NH+](C)CC1)CC(C)(C)O2 ZINC000216904826 274131770 /nfs/dbraw/zinc/13/17/70/274131770.db2.gz KLWABUMZSHCIFU-KRWDZBQOSA-N 1 0 346.471 3.146 40 70 EGIBRO CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000217026211 535818152 /nfs/dbraw/zinc/81/81/52/535818152.db2.gz BTAUPGUOYCRROD-QGZVFWFLSA-N 1 0 338.879 3.346 40 70 EGIBRO CCOC(=O)c1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1Cl ZINC000216902680 241221197 /nfs/dbraw/zinc/22/11/97/241221197.db2.gz NHBQRSRGVBRLJB-UHFFFAOYSA-N 1 0 338.835 3.187 40 70 EGIBRO CCCCOC(=O)c1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000216897316 241220108 /nfs/dbraw/zinc/22/01/08/241220108.db2.gz MNNLZQHUDWFXBQ-UHFFFAOYSA-N 1 0 332.444 3.314 40 70 EGIBRO Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC000216904774 292336243 /nfs/dbraw/zinc/33/62/43/292336243.db2.gz SQSRQIRJRXVQMK-QGZVFWFLSA-N 1 0 330.472 3.445 40 70 EGIBRO CC[C@H](Oc1cccc(C)c1C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000217028030 536047683 /nfs/dbraw/zinc/04/76/83/536047683.db2.gz YRSQLQCATPSCSJ-SFHVURJKSA-N 1 0 332.488 3.309 40 70 EGIBRO CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000217027057 536044798 /nfs/dbraw/zinc/04/47/98/536044798.db2.gz WUAHBULQFDXRFE-IBGZPJMESA-N 1 0 332.488 3.309 40 70 EGIBRO COc1ccc([C@@H](NC(=O)[C@H]2CC[NH2+]C2)c2ccccc2Cl)cc1 ZINC000160421459 455457150 /nfs/dbraw/zinc/45/71/50/455457150.db2.gz FAOOZBZJZPJESV-KBXCAEBGSA-N 1 0 344.842 3.164 40 70 EGIBRO CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000217027010 535817706 /nfs/dbraw/zinc/81/77/06/535817706.db2.gz WUAHBULQFDXRFE-LJQANCHMSA-N 1 0 332.488 3.309 40 70 EGIBRO Clc1ccc([C@H]2CN(CCn3ccnc3)CCO2)cc1Cl ZINC000159797389 225280219 /nfs/dbraw/zinc/28/02/19/225280219.db2.gz XOGMVUKLZCHYEJ-OAHLLOKOSA-N 1 0 326.227 3.263 40 70 EGIBRO Cc1ccc(Cl)cc1N1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000216895123 241217581 /nfs/dbraw/zinc/21/75/81/241217581.db2.gz FKOVSWHRLGZJLP-UHFFFAOYSA-N 1 0 349.906 3.029 40 70 EGIBRO Fc1cccc(C2(C[NH2+]C3CCC4(CC3)OCCO4)CCOCC2)c1 ZINC000161354173 455562276 /nfs/dbraw/zinc/56/22/76/455562276.db2.gz QZLZIRFDPKJGED-UHFFFAOYSA-N 1 0 349.446 3.149 40 70 EGIBRO COc1ccc2c(c1)[C@H](NC(=O)CC1CC[NH+](C)CC1)CC(C)(C)O2 ZINC000216904860 456031505 /nfs/dbraw/zinc/03/15/05/456031505.db2.gz KLWABUMZSHCIFU-QGZVFWFLSA-N 1 0 346.471 3.146 40 70 EGIBRO C[N@@H+]1CCC[C@@H](C(=O)NCCSCc2ccc(Cl)cc2)C1 ZINC000216906249 536362042 /nfs/dbraw/zinc/36/20/42/536362042.db2.gz IWJGDAXDEPYABC-CQSZACIVSA-N 1 0 326.893 3.031 40 70 EGIBRO CC(C)c1ccccc1O[C@H](C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000217023969 241233934 /nfs/dbraw/zinc/23/39/34/241233934.db2.gz VNPXZFWXOKQSPX-MRXNPFEDSA-N 1 0 332.488 3.425 40 70 EGIBRO C[NH+]1CCC(CCNC(=O)CSCc2ccccc2Cl)CC1 ZINC000216928798 536337433 /nfs/dbraw/zinc/33/74/33/536337433.db2.gz NXMAGJYIPQNXBY-UHFFFAOYSA-N 1 0 340.920 3.421 40 70 EGIBRO Cc1ccccc1CSCCCNC(=O)CC1CC[NH+](C)CC1 ZINC000216903190 241219265 /nfs/dbraw/zinc/21/92/65/241219265.db2.gz MJQBRALCMIRNLL-UHFFFAOYSA-N 1 0 334.529 3.466 40 70 EGIBRO C[N@@H+]1CCC[C@H](C(=O)NCCSCc2ccccc2Cl)C1 ZINC000216906118 241220614 /nfs/dbraw/zinc/22/06/14/241220614.db2.gz FUKXHHNMFDVXOB-ZDUSSCGKSA-N 1 0 326.893 3.031 40 70 EGIBRO CC[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc(OC)c(OC)c1 ZINC000216905337 286868503 /nfs/dbraw/zinc/86/85/03/286868503.db2.gz SLJDYUNDYCJQBX-MRXNPFEDSA-N 1 0 334.460 3.003 40 70 EGIBRO Cc1ccc2c(c1)[C@@H](NC(=O)CC1CC[NH+](C)CC1)CC(C)(C)O2 ZINC000216904657 281083892 /nfs/dbraw/zinc/08/38/92/281083892.db2.gz UPXVHIGUVMDNMZ-KRWDZBQOSA-N 1 0 330.472 3.445 40 70 EGIBRO CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000217035069 536045104 /nfs/dbraw/zinc/04/51/04/536045104.db2.gz WSXAJYZZHQEQAU-KRWDZBQOSA-N 1 0 338.879 3.346 40 70 EGIBRO C[NH+]1CCC(C(=O)NCCSCc2ccccc2Cl)CC1 ZINC000216919637 241223318 /nfs/dbraw/zinc/22/33/18/241223318.db2.gz DVLYEVHQFHNGMD-UHFFFAOYSA-N 1 0 326.893 3.031 40 70 EGIBRO C[NH+]1CCC(C(=O)NCCSCc2cccc(Cl)c2)CC1 ZINC000216919668 241223391 /nfs/dbraw/zinc/22/33/91/241223391.db2.gz INHYBEFAKUVXCL-UHFFFAOYSA-N 1 0 326.893 3.031 40 70 EGIBRO CCOC(=O)c1cc(NC(=O)CC2CC[NH+](C)CC2)ccc1Cl ZINC000216902626 241221074 /nfs/dbraw/zinc/22/10/74/241221074.db2.gz VEVDGGAVLJPRJK-UHFFFAOYSA-N 1 0 338.835 3.187 40 70 EGIBRO CCOc1ccc([C@@H](C)NC(=O)C2CC[NH+](C)CC2)cc1OCC ZINC000216921688 535406734 /nfs/dbraw/zinc/40/67/34/535406734.db2.gz YHSQEFZPNCSDFF-CQSZACIVSA-N 1 0 334.460 3.003 40 70 EGIBRO C[NH+]1CCC(CCNC(=O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000217011081 536337373 /nfs/dbraw/zinc/33/73/73/536337373.db2.gz GDBARAFXQDFOLJ-UHFFFAOYSA-N 1 0 332.488 3.211 40 70 EGIBRO C[NH+]1CCC(CC(=O)NCCSCc2cccc(Cl)c2)CC1 ZINC000216892905 241218240 /nfs/dbraw/zinc/21/82/40/241218240.db2.gz OCQCFISGDLALFE-UHFFFAOYSA-N 1 0 340.920 3.421 40 70 EGIBRO C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000217014493 241229414 /nfs/dbraw/zinc/22/94/14/241229414.db2.gz UNAMWIOPSSKJBE-INIZCTEOSA-N 1 0 340.467 3.455 40 70 EGIBRO Cc1ccc(CSCCCNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000216903294 241218986 /nfs/dbraw/zinc/21/89/86/241218986.db2.gz CWEWJCWUBNPPHH-UHFFFAOYSA-N 1 0 334.529 3.466 40 70 EGIBRO Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000217024346 241233380 /nfs/dbraw/zinc/23/33/80/241233380.db2.gz DHEWSTMUYIIMCE-KRWDZBQOSA-N 1 0 332.488 3.227 40 70 EGIBRO C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NC2CCCCC2)C1 ZINC000216907906 536362099 /nfs/dbraw/zinc/36/20/99/536362099.db2.gz HAHCIURJNOAZIU-OAHLLOKOSA-N 1 0 343.471 3.029 40 70 EGIBRO C[N@@H+]1CCC[C@@H](C(=O)NCCCSc2ccc(Cl)cc2)C1 ZINC000216916384 536362393 /nfs/dbraw/zinc/36/23/93/536362393.db2.gz HSQJOEFCAPVKAR-CYBMUJFWSA-N 1 0 326.893 3.280 40 70 EGIBRO C[N@@H+]1CCC[C@@H](C(=O)NCCCSCc2ccc(Cl)cc2)C1 ZINC000216916964 536362077 /nfs/dbraw/zinc/36/20/77/536362077.db2.gz ZJNCWHMLVIEJMZ-OAHLLOKOSA-N 1 0 340.920 3.421 40 70 EGIBRO C[NH+]1CCC(C(=O)NCCCSCc2cccc(Cl)c2)CC1 ZINC000216923780 241223425 /nfs/dbraw/zinc/22/34/25/241223425.db2.gz VQGSJZKGXDCZBQ-UHFFFAOYSA-N 1 0 340.920 3.421 40 70 EGIBRO C[N@@H+]1CCC[C@@H](C(=O)NCCSCc2cccc(Cl)c2)C1 ZINC000216906165 536362528 /nfs/dbraw/zinc/36/25/28/536362528.db2.gz NUIDYBUXRASCBQ-CQSZACIVSA-N 1 0 326.893 3.031 40 70 EGIBRO C[N@@H+]1CCC[C@@H](C(=O)NCCCSCc2ccccc2Cl)C1 ZINC000216916839 536362431 /nfs/dbraw/zinc/36/24/31/536362431.db2.gz DJFOGBKYSBSFDQ-CQSZACIVSA-N 1 0 340.920 3.421 40 70 EGIBRO C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000217014447 241231076 /nfs/dbraw/zinc/23/10/76/241231076.db2.gz UNAMWIOPSSKJBE-MRXNPFEDSA-N 1 0 340.467 3.455 40 70 EGIBRO CC[C@@H](Oc1cccc2ccccc21)C(=O)NC1CC[NH+](C)CC1 ZINC000217027405 535818215 /nfs/dbraw/zinc/81/82/15/535818215.db2.gz RENXGIZAENXVCO-GOSISDBHSA-N 1 0 326.440 3.208 40 70 EGIBRO C[N@@H+]1CCC[C@@H](C(=O)NCCSCc2ccccc2Cl)C1 ZINC000216906086 536361966 /nfs/dbraw/zinc/36/19/66/536361966.db2.gz FUKXHHNMFDVXOB-CYBMUJFWSA-N 1 0 326.893 3.031 40 70 EGIBRO C[N@@H+]1CCC[C@H](C(=O)NCCCSCc2ccc(Cl)cc2)C1 ZINC000216916992 241222610 /nfs/dbraw/zinc/22/26/10/241222610.db2.gz ZJNCWHMLVIEJMZ-HNNXBMFYSA-N 1 0 340.920 3.421 40 70 EGIBRO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC000216904737 292335833 /nfs/dbraw/zinc/33/58/33/292335833.db2.gz SQSRQIRJRXVQMK-KRWDZBQOSA-N 1 0 330.472 3.445 40 70 EGIBRO C[NH+]1CCC(CC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000216895738 536336491 /nfs/dbraw/zinc/33/64/91/536336491.db2.gz LNYZVXXEFMJVFZ-UHFFFAOYSA-N 1 0 329.213 3.259 40 70 EGIBRO CC(C)Oc1ccc(CCCNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000216900531 241220562 /nfs/dbraw/zinc/22/05/62/241220562.db2.gz VJPJKVUQGUIKJQ-UHFFFAOYSA-N 1 0 332.488 3.255 40 70 EGIBRO Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000217024388 241232944 /nfs/dbraw/zinc/23/29/44/241232944.db2.gz DHEWSTMUYIIMCE-QGZVFWFLSA-N 1 0 332.488 3.227 40 70 EGIBRO C[NH+]1CCC(CCNC(=O)CSc2ccc(Cl)cc2)CC1 ZINC000216927894 536337601 /nfs/dbraw/zinc/33/76/01/536337601.db2.gz MFHIROGLRVTWQW-UHFFFAOYSA-N 1 0 326.893 3.280 40 70 EGIBRO C[NH+]1CCC(C(=O)NCCCSc2ccc(Cl)cc2)CC1 ZINC000216923495 241222152 /nfs/dbraw/zinc/22/21/52/241222152.db2.gz RYJIGNLLSMJJMO-UHFFFAOYSA-N 1 0 326.893 3.280 40 70 EGIBRO CCOc1ccc([C@H](C)NC(=O)C2CC[NH+](C)CC2)cc1OCC ZINC000216921711 241223534 /nfs/dbraw/zinc/22/35/34/241223534.db2.gz YHSQEFZPNCSDFF-AWEZNQCLSA-N 1 0 334.460 3.003 40 70 EGIBRO C[NH+]1CCC(CC(=O)NCCSCc2ccc(Cl)cc2)CC1 ZINC000216892967 241218381 /nfs/dbraw/zinc/21/83/81/241218381.db2.gz ZXOKRNIJYZFRBC-UHFFFAOYSA-N 1 0 340.920 3.421 40 70 EGIBRO c1cc(OC2CCCC2)ncc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000161311115 455558126 /nfs/dbraw/zinc/55/81/26/455558126.db2.gz QZWWCGLWHGNQRP-UHFFFAOYSA-N 1 0 332.444 3.178 40 70 EGIBRO C[NH+]1CCC(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)CC1 ZINC000216920342 536334750 /nfs/dbraw/zinc/33/47/50/536334750.db2.gz ZVUCYIQCTPRMNW-UHFFFAOYSA-N 1 0 343.471 3.029 40 70 EGIBRO C[N@@H+]1CCC[C@H](C(=O)NCCSCc2cccc(Cl)c2)C1 ZINC000216906199 241221135 /nfs/dbraw/zinc/22/11/35/241221135.db2.gz NUIDYBUXRASCBQ-AWEZNQCLSA-N 1 0 326.893 3.031 40 70 EGIBRO CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000217026251 536047847 /nfs/dbraw/zinc/04/78/47/536047847.db2.gz BTAUPGUOYCRROD-KRWDZBQOSA-N 1 0 338.879 3.346 40 70 EGIBRO COc1ccc([C@H](NC(=O)[C@H]2CC[NH2+]C2)c2ccccc2Cl)cc1 ZINC000160421338 533190762 /nfs/dbraw/zinc/19/07/62/533190762.db2.gz FAOOZBZJZPJESV-KSSFIOAISA-N 1 0 344.842 3.164 40 70 EGIBRO CC[C@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc(OC)c(OC)c1 ZINC000216905375 456030897 /nfs/dbraw/zinc/03/08/97/456030897.db2.gz SLJDYUNDYCJQBX-INIZCTEOSA-N 1 0 334.460 3.003 40 70 EGIBRO C[N@@H+]1CCC[C@H](C(=O)NCCSCc2c(F)cccc2Cl)C1 ZINC000216907695 241220034 /nfs/dbraw/zinc/22/00/34/241220034.db2.gz LNAIVOKBWYZJFJ-LBPRGKRZSA-N 1 0 344.883 3.170 40 70 EGIBRO C[N@@H+]1CCC[C@@H](C(=O)NCCCSCc2cccc(Cl)c2)C1 ZINC000216916902 536362165 /nfs/dbraw/zinc/36/21/65/536362165.db2.gz JAPSLCSMORHYDX-OAHLLOKOSA-N 1 0 340.920 3.421 40 70 EGIBRO C[NH+]1CCC(CC(=O)NCCSc2ccc(Cl)cc2)CC1 ZINC000216892742 241218344 /nfs/dbraw/zinc/21/83/44/241218344.db2.gz YGIVGYOFUWLXPE-UHFFFAOYSA-N 1 0 326.893 3.280 40 70 EGIBRO COc1ccc([C@H](NC(=O)[C@@H]2CC[NH2+]C2)c2ccccc2Cl)cc1 ZINC000160421083 455457265 /nfs/dbraw/zinc/45/72/65/455457265.db2.gz FAOOZBZJZPJESV-KDOFPFPSSA-N 1 0 344.842 3.164 40 70 EGIBRO Cc1cccc(CSCCCNC(=O)CC2CC[NH+](C)CC2)c1 ZINC000216903238 241219785 /nfs/dbraw/zinc/21/97/85/241219785.db2.gz SOVIGCFVJCOMCF-UHFFFAOYSA-N 1 0 334.529 3.466 40 70 EGIBRO C[NH2+]Cc1ccc(CNC(=O)Cc2ccccc2C(F)(F)F)cc1 ZINC000160857078 455505497 /nfs/dbraw/zinc/50/54/97/455505497.db2.gz MQGLDLODCBTALD-UHFFFAOYSA-N 1 0 336.357 3.284 40 70 EGIBRO CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000217028404 535817656 /nfs/dbraw/zinc/81/76/56/535817656.db2.gz WPSXVNXTDUKLED-GOSISDBHSA-N 1 0 332.488 3.309 40 70 EGIBRO C[NH+]1CCC(CC(=O)NCCCSCc2ccc(F)cc2)CC1 ZINC000216903554 241219366 /nfs/dbraw/zinc/21/93/66/241219366.db2.gz RIPWGOGPLLRDTJ-UHFFFAOYSA-N 1 0 338.492 3.297 40 70 EGIBRO Clc1ccc([C@@H]2CN(CCn3ccnc3)CCO2)cc1Cl 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