smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160364990 296139722 /nfs/dbraw/zinc/13/97/22/296139722.db2.gz WASLSZQIDDNMHS-NXEZZACHSA-N 1 0 315.399 -0.963 20 70 DBIDRO O=C(NCCS(=O)(=O)NCC1CCC1)[C@@H]1CCC[NH2+]C1 ZINC000159672113 375148544 /nfs/dbraw/zinc/14/85/44/375148544.db2.gz PAHQZWXZQKOCOW-GFCCVEGCSA-N 1 0 303.428 -0.178 20 70 DBIDRO O=C([C@@H]1C[NH2+]CCO1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000161011721 375449279 /nfs/dbraw/zinc/44/92/79/375449279.db2.gz PPEBTYBINYJDKD-AWEZNQCLSA-N 1 0 321.352 -0.015 20 70 DBIDRO NC(=O)[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCO1 ZINC000160865379 376386226 /nfs/dbraw/zinc/38/62/26/376386226.db2.gz MDALTYARTWDGFR-AAEUAGOBSA-N 1 0 310.398 -0.101 20 70 DBIDRO COCCNC(=O)Cn1cc(NC(=O)[C@H]([NH3+])CC(C)C)cn1 ZINC000160713055 544646036 /nfs/dbraw/zinc/64/60/36/544646036.db2.gz WFDVBFRHKSBDSI-GFCCVEGCSA-N 1 0 311.386 -0.042 20 70 DBIDRO CC[N@@H+]1CCCN(C(=O)NCCNS(=O)(=O)CC)CC1 ZINC000159645313 375146884 /nfs/dbraw/zinc/14/68/84/375146884.db2.gz OQHMPFLHTLSWNA-UHFFFAOYSA-N 1 0 306.432 -0.337 20 70 DBIDRO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000161007998 375429003 /nfs/dbraw/zinc/42/90/03/375429003.db2.gz MFKOZQVEBYLNIO-UONOGXRCSA-N 1 0 321.352 -0.281 20 70 DBIDRO CCn1cc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)cn1 ZINC000161412259 392589975 /nfs/dbraw/zinc/58/99/75/392589975.db2.gz HQNKDDPNPJFCSU-UHFFFAOYSA-N 1 0 316.427 -0.114 20 70 DBIDRO CCC[N@@H+]1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC1 ZINC000160365920 519851288 /nfs/dbraw/zinc/85/12/88/519851288.db2.gz ZCEZZRVNFRWPPV-UHFFFAOYSA-N 1 0 322.413 -0.076 20 70 DBIDRO COCCNC(=O)Cn1cc(NC(=O)[C@@H]([NH3+])CC(C)C)cn1 ZINC000160712917 523900799 /nfs/dbraw/zinc/90/07/99/523900799.db2.gz WFDVBFRHKSBDSI-LBPRGKRZSA-N 1 0 311.386 -0.042 20 70 DBIDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)c2cccnc2)C[C@@H]1C ZINC000161214313 525790355 /nfs/dbraw/zinc/79/03/55/525790355.db2.gz FQUYIHACPKOCTF-QWHCGFSZSA-N 1 0 320.393 -0.275 20 70 DBIDRO O=C(NCCCN1C(=O)CNC1=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000159388984 527659289 /nfs/dbraw/zinc/65/92/89/527659289.db2.gz NJKLWFVQKZYGGL-CYBMUJFWSA-N 1 0 316.361 -0.241 20 70 DBIDRO Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000161454978 527668961 /nfs/dbraw/zinc/66/89/61/527668961.db2.gz RVSIOKAKIVWUMJ-NSHDSACASA-N 1 0 324.834 -0.027 20 70 DBIDRO C[C@@H](C(=O)NCC(F)(F)F)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000159858584 374432900 /nfs/dbraw/zinc/43/29/00/374432900.db2.gz MBJDVOUFANOIMN-VIFPVBQESA-N 1 0 310.320 -0.583 20 70 DBIDRO Cn1cc(S(=O)(=O)NCC[N@H+](C)C[C@H]2CCC[C@@H]2O)cn1 ZINC000159637517 375147305 /nfs/dbraw/zinc/14/73/05/375147305.db2.gz BUURGWMNUCGKOH-YPMHNXCESA-N 1 0 316.427 -0.209 20 70 DBIDRO Cc1nn(C)c(C)c1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000161504056 375326037 /nfs/dbraw/zinc/32/60/37/375326037.db2.gz QXXGBPUXZONLOW-LBPRGKRZSA-N 1 0 304.416 -0.372 20 70 DBIDRO O=C(Cn1cnnn1)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000160538253 376261158 /nfs/dbraw/zinc/26/11/58/376261158.db2.gz MOJAFHBZEPNZJB-ZIAGYGMSSA-N 1 0 316.365 -0.575 20 70 DBIDRO CCn1c(=O)[nH]c2cc(C(=O)N3CC[C@@H]([NH3+])C3)ccc2c1=O ZINC000160208558 523091276 /nfs/dbraw/zinc/09/12/76/523091276.db2.gz ZXEXYOICBFDONT-SNVBAGLBSA-N 1 0 302.334 -0.117 20 70 DBIDRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160364860 525514169 /nfs/dbraw/zinc/51/41/69/525514169.db2.gz WASLSZQIDDNMHS-VHSXEESVSA-N 1 0 315.399 -0.963 20 70 DBIDRO Cn1ncc2c1ncn(CC(=O)NCC1([NH3+])CCCCC1)c2=O ZINC000159699785 238313037 /nfs/dbraw/zinc/31/30/37/238313037.db2.gz DLHJZGKYKLXSDY-UHFFFAOYSA-N 1 0 318.381 -0.092 20 70 DBIDRO Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000161504174 375326209 /nfs/dbraw/zinc/32/62/09/375326209.db2.gz QXXGBPUXZONLOW-GFCCVEGCSA-N 1 0 304.416 -0.372 20 70 DBIDRO CC[C@@H](C(=O)Nc1cnn(CC(=O)NCCOC)c1)[NH+](C)C ZINC000159991319 375354897 /nfs/dbraw/zinc/35/48/97/375354897.db2.gz YXMJHCWBNZPWBX-LBPRGKRZSA-N 1 0 311.386 -0.076 20 70 DBIDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC2(CO)CC2)CC1=O ZINC000160430065 375379857 /nfs/dbraw/zinc/37/98/57/375379857.db2.gz LKCWUCGABTTYSQ-CHWSQXEVSA-N 1 0 309.410 -0.040 20 70 DBIDRO C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCC(C)(C)[NH3+] ZINC000160013602 392629598 /nfs/dbraw/zinc/62/95/98/392629598.db2.gz XVLMNNBASWJVCQ-VIFPVBQESA-N 1 0 324.406 -0.033 20 70 DBIDRO CC[NH2+]CC1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000161102143 519914703 /nfs/dbraw/zinc/91/47/03/519914703.db2.gz BHCSZXDOVZRINN-UHFFFAOYSA-N 1 0 308.382 -0.605 20 70 DBIDRO C[NH2+][C@@H]1CCN(C(=O)CNC2=NS(=O)(=O)c3ccccc32)C1 ZINC000160550862 522391072 /nfs/dbraw/zinc/39/10/72/522391072.db2.gz PCTXGZYXQQZFSK-SNVBAGLBSA-N 1 0 322.390 -0.455 20 70 DBIDRO C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160244273 525287069 /nfs/dbraw/zinc/28/70/69/525287069.db2.gz QASRUNHRUIAFLV-VHSXEESVSA-N 1 0 322.390 -0.327 20 70 DBIDRO C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CC[NH2+]CC1 ZINC000159381727 525395742 /nfs/dbraw/zinc/39/57/42/525395742.db2.gz JUDQMAUCASGRPY-SNVBAGLBSA-N 1 0 322.390 -0.455 20 70 DBIDRO CSCC[C@H]([NH3+])C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000161024750 525579125 /nfs/dbraw/zinc/57/91/25/525579125.db2.gz UITFZMQEFWQPGH-NSHDSACASA-N 1 0 311.411 -0.324 20 70 DBIDRO [NH3+]CC(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000159795395 527156522 /nfs/dbraw/zinc/15/65/22/527156522.db2.gz ABOSFCSGXWOIFS-AWEZNQCLSA-N 1 0 302.378 -0.105 20 70 DBIDRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCC[NH3+] ZINC000160063276 527656715 /nfs/dbraw/zinc/65/67/15/527656715.db2.gz AZESJUZYNXCNQT-VIFPVBQESA-N 1 0 317.415 -0.831 20 70 DBIDRO O=C(c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)N1CC[NH2+]CC1 ZINC000159429145 375151407 /nfs/dbraw/zinc/15/14/07/375151407.db2.gz GJNCIBSKUCVDOO-UHFFFAOYSA-N 1 0 315.333 -0.535 20 70 DBIDRO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000161008228 375430682 /nfs/dbraw/zinc/43/06/82/375430682.db2.gz MFKOZQVEBYLNIO-ZIAGYGMSSA-N 1 0 321.352 -0.281 20 70 DBIDRO COC(=O)CCN(C)S(=O)(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000160873735 377154682 /nfs/dbraw/zinc/15/46/82/377154682.db2.gz KDRHVMQYKOFABZ-LLVKDONJSA-N 1 0 307.416 -0.200 20 70 DBIDRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCCNS(C)(=O)=O ZINC000160160246 380674305 /nfs/dbraw/zinc/67/43/05/380674305.db2.gz WWTAHTMXTVLUIW-BREBYQMCSA-N 1 0 319.427 -0.816 20 70 DBIDRO CC(C)(C)N1C[C@H](NC(=O)NCCN2CC[NH2+]CC2)CC1=O ZINC000217285739 382641164 /nfs/dbraw/zinc/64/11/64/382641164.db2.gz OJKMCUISAJOIGF-GFCCVEGCSA-N 1 0 311.430 -0.410 20 70 DBIDRO CCNC(=O)CN1CCN(Cc2nc(CC)cc(=O)[nH]2)CC1 ZINC000160737945 392858012 /nfs/dbraw/zinc/85/80/12/392858012.db2.gz VRQSXRKJNAZXNI-UHFFFAOYSA-N 1 0 307.398 -0.002 20 70 DBIDRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000217838318 337319344 /nfs/dbraw/zinc/31/93/44/337319344.db2.gz FOCHUYDUGPTKOY-NWDGAFQWSA-N 1 0 319.427 -0.071 20 70 DBIDRO COCCC[N@H+](C)CCNC(=O)CNC(=O)c1cccnc1 ZINC000160008834 523218410 /nfs/dbraw/zinc/21/84/10/523218410.db2.gz XVRYLCBGCXTNPF-UHFFFAOYSA-N 1 0 308.382 -0.104 20 70 DBIDRO Cc1ccc(N2CC[C@@H](NC(=O)[C@H]3C[C@H](O)C[NH2+]3)C2=O)cc1 ZINC000160925825 524971583 /nfs/dbraw/zinc/97/15/83/524971583.db2.gz DRNXVKDQZGERRM-BFHYXJOUSA-N 1 0 303.362 -0.061 20 70 DBIDRO [NH3+]CC(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000159795519 527157017 /nfs/dbraw/zinc/15/70/17/527157017.db2.gz ABOSFCSGXWOIFS-CQSZACIVSA-N 1 0 302.378 -0.105 20 70 DBIDRO CC(=O)N1CCN(C(=O)CCNC(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000159444212 375145149 /nfs/dbraw/zinc/14/51/49/375145149.db2.gz IASYJDXOIPCVEE-CYBMUJFWSA-N 1 0 310.398 -0.675 20 70 DBIDRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC2(CO)CC2)CC1=O ZINC000160430161 375380649 /nfs/dbraw/zinc/38/06/49/375380649.db2.gz LKCWUCGABTTYSQ-OLZOCXBDSA-N 1 0 309.410 -0.040 20 70 DBIDRO COC(=O)CCNC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161368703 382212931 /nfs/dbraw/zinc/21/29/31/382212931.db2.gz HZYDUHIBNFHNHS-UHFFFAOYSA-N 1 0 306.366 -0.117 20 70 DBIDRO CC(C)(C)N1C[C@@H](NC(=O)NCCN2CC[NH2+]CC2)CC1=O ZINC000217285741 382640968 /nfs/dbraw/zinc/64/09/68/382640968.db2.gz OJKMCUISAJOIGF-LBPRGKRZSA-N 1 0 311.430 -0.410 20 70 DBIDRO CCN(C(=O)CN(C)[C@@H](C[NH3+])C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000159990104 393726225 /nfs/dbraw/zinc/72/62/25/393726225.db2.gz KNXNPNVDKNJGTC-STQMWFEESA-N 1 0 317.455 -0.309 20 70 DBIDRO COCCNC(=O)Cn1cc(NC(=O)CC2([NH3+])CCC2)cn1 ZINC000160715906 544646393 /nfs/dbraw/zinc/64/63/93/544646393.db2.gz QOXPZUGHDQHRHG-UHFFFAOYSA-N 1 0 309.370 -0.144 20 70 DBIDRO COCCN(C(=O)COC1(C)C[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000161116022 544648162 /nfs/dbraw/zinc/64/81/62/544648162.db2.gz BHBAEMCFKGRWNK-NSHDSACASA-N 1 0 320.411 -0.973 20 70 DBIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC000160445783 519722204 /nfs/dbraw/zinc/72/22/04/519722204.db2.gz FDZSURXTVQWDBT-GFCCVEGCSA-N 1 0 308.382 -0.227 20 70 DBIDRO C[NH2+]C[C@H]1CCCN1C(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000161370024 522086055 /nfs/dbraw/zinc/08/60/55/522086055.db2.gz XHLSIRXLOXUEAQ-SNVBAGLBSA-N 1 0 303.370 -0.001 20 70 DBIDRO Cc1ccc(N2CC[C@H](NC(=O)[C@H]3C[C@H](O)C[NH2+]3)C2=O)cc1 ZINC000160925711 524975177 /nfs/dbraw/zinc/97/51/77/524975177.db2.gz DRNXVKDQZGERRM-MELADBBJSA-N 1 0 303.362 -0.061 20 70 DBIDRO Cc1nnc(CN(C)CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)n1C ZINC000160183100 238321435 /nfs/dbraw/zinc/32/14/35/238321435.db2.gz KSKOWKYTIYMQHP-BETUJISGSA-N 1 0 306.414 -0.092 20 70 DBIDRO O=C(NCCS(=O)(=O)NCC1CCC1)[C@H]1CCC[NH2+]C1 ZINC000159672237 375149455 /nfs/dbraw/zinc/14/94/55/375149455.db2.gz PAHQZWXZQKOCOW-LBPRGKRZSA-N 1 0 303.428 -0.178 20 70 DBIDRO O=C([C@H]1C[NH2+]CCO1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000161011832 375449000 /nfs/dbraw/zinc/44/90/00/375449000.db2.gz PPEBTYBINYJDKD-CQSZACIVSA-N 1 0 321.352 -0.015 20 70 DBIDRO CCS(=O)(=O)N1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000161337971 376404698 /nfs/dbraw/zinc/40/46/98/376404698.db2.gz FTHZQEKLRMMYEP-ZDUSSCGKSA-N 1 0 303.428 -0.130 20 70 DBIDRO [NH3+]C[C@@H]1CCCN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000160316267 378294387 /nfs/dbraw/zinc/29/43/87/378294387.db2.gz BVQPBBBDUKYNFT-JTQLQIEISA-N 1 0 302.334 -0.361 20 70 DBIDRO COCCNC(=O)Cn1cc(NC(=O)C[C@@H]2CCC[NH2+]2)cn1 ZINC000160715615 378295671 /nfs/dbraw/zinc/29/56/71/378295671.db2.gz FEJMNEMQOJUJCQ-NSHDSACASA-N 1 0 309.370 -0.274 20 70 DBIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000161369889 522048378 /nfs/dbraw/zinc/04/83/78/522048378.db2.gz XHLSIRXLOXUEAQ-JTQLQIEISA-N 1 0 303.370 -0.001 20 70 DBIDRO C[NH2+][C@H]1CCN(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)C1 ZINC000160615615 522501487 /nfs/dbraw/zinc/50/14/87/522501487.db2.gz QHLLKQZQDQCOMS-NSHDSACASA-N 1 0 316.361 -0.100 20 70 DBIDRO C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160244420 525394645 /nfs/dbraw/zinc/39/46/45/525394645.db2.gz QASRUNHRUIAFLV-NXEZZACHSA-N 1 0 322.390 -0.327 20 70 DBIDRO O=C(Cn1cnnn1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160725210 527410935 /nfs/dbraw/zinc/41/09/35/527410935.db2.gz DAYJHPVIXGYYHV-OLZOCXBDSA-N 1 0 308.386 -0.443 20 70 DBIDRO O=S(=O)(F)c1ccc(N2CCN3CC[NH2+]C[C@@H]3C2)nn1 ZINC001164408021 718840190 /nfs/dbraw/zinc/84/01/90/718840190.db2.gz XNHZOSJJQWSPSJ-SECBINFHSA-N 1 0 301.347 -0.771 20 70 DBIDRO COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000217561748 375196660 /nfs/dbraw/zinc/19/66/60/375196660.db2.gz XMNVXXZMXBRARI-CMPLNLGQSA-N 1 0 301.387 -0.210 20 70 DBIDRO O=C([C@H]1CCNC(=O)C1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000159978277 375351712 /nfs/dbraw/zinc/35/17/12/375351712.db2.gz XWYDZUZNCYPMPS-AWEZNQCLSA-N 1 0 308.426 -0.247 20 70 DBIDRO CCC([NH3+])(CC)CNC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000160508822 375387776 /nfs/dbraw/zinc/38/77/76/375387776.db2.gz XWWSENKCAVBUGT-BQYQJAHWSA-N 1 0 308.382 -0.269 20 70 DBIDRO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000161007880 375428154 /nfs/dbraw/zinc/42/81/54/375428154.db2.gz MFKOZQVEBYLNIO-KBPBESRZSA-N 1 0 321.352 -0.281 20 70 DBIDRO 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Cn1cc(S(=O)(=O)NCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000161310389 544648854 /nfs/dbraw/zinc/64/88/54/544648854.db2.gz CPBLUUMDSBYWHU-ZJUUUORDSA-N 1 0 315.399 -0.916 20 70 DBIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cc(Cl)cnc1N ZINC000161408837 521857178 /nfs/dbraw/zinc/85/71/78/521857178.db2.gz DXMBDSMGIVZLFW-NSHDSACASA-N 1 0 322.818 -0.092 20 70 DBIDRO CC[NH+](CC)CCNC(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000159589150 520685515 /nfs/dbraw/zinc/68/55/15/520685515.db2.gz FOHNOKQLKNYKJD-UHFFFAOYSA-N 1 0 304.354 -0.100 20 70 DBIDRO C[NH2+][C@H]1CCN(C(=O)CNC2=NS(=O)(=O)c3ccccc32)C1 ZINC000160550991 522501683 /nfs/dbraw/zinc/50/16/83/522501683.db2.gz PCTXGZYXQQZFSK-JTQLQIEISA-N 1 0 322.390 -0.455 20 70 DBIDRO C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CC[NH2+]CC1 ZINC000159381585 525288487 /nfs/dbraw/zinc/28/84/87/525288487.db2.gz JUDQMAUCASGRPY-JTQLQIEISA-N 1 0 322.390 -0.455 20 70 DBIDRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCCC[NH3+] ZINC000160063412 527657886 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Cc1cc(O)cc(=O)n1CC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160652940 525330305 /nfs/dbraw/zinc/33/03/05/525330305.db2.gz YZPXSQLDFSZOJC-AWEZNQCLSA-N 1 0 323.393 -0.175 20 70 DBIDRO C[C@@]1(C(=O)N2CCCN(S(C)(=O)=O)CC2)CCC[NH2+]C1 ZINC000161326855 525784888 /nfs/dbraw/zinc/78/48/88/525784888.db2.gz UHDPLDHGMHLYKV-CYBMUJFWSA-N 1 0 303.428 -0.130 20 70 DBIDRO O=C(C[C@@H]1CCC[NH2+]1)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000160720071 527118789 /nfs/dbraw/zinc/11/87/89/527118789.db2.gz ZYBZJDNZABZIIC-LBPRGKRZSA-N 1 0 321.381 -0.178 20 70 DBIDRO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000161008110 375430584 /nfs/dbraw/zinc/43/05/84/375430584.db2.gz MFKOZQVEBYLNIO-KGLIPLIRSA-N 1 0 321.352 -0.281 20 70 DBIDRO NC(=O)[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCO1 ZINC000160865521 376386072 /nfs/dbraw/zinc/38/60/72/376386072.db2.gz MDALTYARTWDGFR-YPMHNXCESA-N 1 0 310.398 -0.101 20 70 DBIDRO CN(CC(=O)N1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160647703 379656785 /nfs/dbraw/zinc/65/67/85/379656785.db2.gz XELSMDKMFXDSJD-CQSZACIVSA-N 1 0 324.425 -0.029 20 70 DBIDRO CN(CC(=O)N1CCOCC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160647794 379657408 /nfs/dbraw/zinc/65/74/08/379657408.db2.gz XELSMDKMFXDSJD-AWEZNQCLSA-N 1 0 324.425 -0.029 20 70 DBIDRO Cn1cc(N2CCN(C(=O)C[NH2+]C[C@H]3CCCO3)CC2=O)cn1 ZINC000159386831 380669265 /nfs/dbraw/zinc/66/92/65/380669265.db2.gz OYPBCJRMHHRQAD-CYBMUJFWSA-N 1 0 321.381 -0.636 20 70 DBIDRO Cn1cc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)cn1 ZINC000161386431 392590162 /nfs/dbraw/zinc/59/01/62/392590162.db2.gz UIYVKFRZSFLBCF-UHFFFAOYSA-N 1 0 302.400 -0.597 20 70 DBIDRO Cn1cc(S(=O)(=O)NCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000161310153 544648522 /nfs/dbraw/zinc/64/85/22/544648522.db2.gz CPBLUUMDSBYWHU-UWVGGRQHSA-N 1 0 315.399 -0.916 20 70 DBIDRO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N(C)C[C@H](O)C1CC1 ZINC000160864569 544802196 /nfs/dbraw/zinc/80/21/96/544802196.db2.gz IEFHFADYYGLZPF-JLLWLGSASA-N 1 0 304.412 -0.619 20 70 DBIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC000160560505 519722038 /nfs/dbraw/zinc/72/20/38/519722038.db2.gz ORLVLCUTRDGONY-CYBMUJFWSA-N 1 0 322.409 -0.216 20 70 DBIDRO C[NH2+][C@@H]1CCN(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)C1 ZINC000160615516 522390681 /nfs/dbraw/zinc/39/06/81/522390681.db2.gz QHLLKQZQDQCOMS-LLVKDONJSA-N 1 0 316.361 -0.100 20 70 DBIDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000159914963 523626883 /nfs/dbraw/zinc/62/68/83/523626883.db2.gz IYLASEJKKICIQP-LLVKDONJSA-N 1 0 300.384 -0.518 20 70 DBIDRO Cc1oc(C(=O)N2CC[NH2+]CC2)cc1S(=O)(=O)N(C)C ZINC000159455621 526759317 /nfs/dbraw/zinc/75/93/17/526759317.db2.gz DQNVIWHGJVUGJM-UHFFFAOYSA-N 1 0 301.368 -0.116 20 70 DBIDRO O=S(=O)(F)c1ccnc(N2CCN3CC[NH2+]C[C@H]3C2)c1 ZINC001164400334 718844102 /nfs/dbraw/zinc/84/41/02/718844102.db2.gz WUZDTFUJRSYQOU-JTQLQIEISA-N 1 0 300.359 -0.166 20 70 DBIDRO