smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)C[C@H]1CN(C(=O)c2cccc(O)c2O)CCO1 ZINC000193074803 351810185 /nfs/dbraw/zinc/81/01/85/351810185.db2.gz MSSNXPGYCKVGQX-JTQLQIEISA-N 1 0 280.324 0.500 10 10 CCCERO NC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(N)cc2)C1 ZINC000022166889 171366299 /nfs/dbraw/zinc/36/62/99/171366299.db2.gz XPDCTMFYOLIGEW-NSHDSACASA-N 1 0 290.367 0.795 10 10 CCCERO O=S1(=O)CC[C@@H](C[NH2+]Cc2ccccc2O)C1 ZINC000038082577 174091697 /nfs/dbraw/zinc/09/16/97/174091697.db2.gz AZPPCYYIKUMQLP-JTQLQIEISA-N 1 0 255.339 0.917 10 10 CCCERO [NH3+]Cc1cc(F)c(N2CCN(CCO)CC2)c(F)c1 ZINC000062711176 527248968 /nfs/dbraw/zinc/24/89/68/527248968.db2.gz PEUVZXBBJUULCX-UHFFFAOYSA-N 1 0 271.311 0.538 10 10 CCCERO CNC(=O)[C@H]1CCCN1c1ccc(C[NH3+])cc1F ZINC000044412392 175171804 /nfs/dbraw/zinc/17/18/04/175171804.db2.gz GULGXJQHFRECSF-GFCCVEGCSA-N 1 0 251.305 0.999 10 10 CCCERO CCC[C@@H]([NH3+])C(=O)NCCc1ccc(O)c(O)c1 ZINC000083392359 520721192 /nfs/dbraw/zinc/72/11/92/520721192.db2.gz KPFKWZSMFOIKIE-SNVBAGLBSA-N 1 0 252.314 0.884 10 10 CCCERO CN1CCO[C@H](C[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000105470945 389086598 /nfs/dbraw/zinc/08/65/98/389086598.db2.gz SKRAXXSFLHUQRD-LLVKDONJSA-N 1 0 280.324 0.541 10 10 CCCERO COc1cccc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)c1O ZINC000038082674 174092141 /nfs/dbraw/zinc/09/21/41/174092141.db2.gz NJUOGSBRIBIKJY-SNVBAGLBSA-N 1 0 285.365 0.925 10 10 CCCERO C[NH2+]CC[C@H](O)CN(C)c1ccc2c(c1)OCCO2 ZINC000076374628 177009927 /nfs/dbraw/zinc/00/99/27/177009927.db2.gz RNFPXUSBDTXLDS-LBPRGKRZSA-N 1 0 266.341 0.864 10 10 CCCERO COc1cccc(C[NH2+]C[C@H]2CN(C)CCO2)c1O ZINC000105470889 261359731 /nfs/dbraw/zinc/35/97/31/261359731.db2.gz DRGQFTZDAVMUCO-LBPRGKRZSA-N 1 0 266.341 0.821 10 10 CCCERO COc1ccc(O)c(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)c1 ZINC000188900554 329374424 /nfs/dbraw/zinc/37/44/24/329374424.db2.gz SSHHYMHTQHFLJU-GXSJLCMTSA-N 1 0 268.288 0.717 10 10 CCCERO Cc1cc(N2CCN(S(C)(=O)=O)CC2)ccc1C[NH3+] ZINC000062085580 525081163 /nfs/dbraw/zinc/08/11/63/525081163.db2.gz SKUBYYHQTKUTLW-UHFFFAOYSA-N 1 0 283.397 0.535 10 10 CCCERO [NH3+][C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1ccon1 ZINC000061684353 527335766 /nfs/dbraw/zinc/33/57/66/527335766.db2.gz PXIHTWSJXXIQSX-QMMMGPOBSA-N 1 0 263.253 0.594 10 10 CCCERO CCNC(=O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879783 615049988 /nfs/dbraw/zinc/04/99/88/615049988.db2.gz RRNSJDGNXRZJDL-UHFFFAOYSA-N 1 0 252.270 0.347 10 10 CCCERO COc1ccc([C@H](C)[NH2+]CCNS(C)(=O)=O)c(O)c1 ZINC000020203777 171068844 /nfs/dbraw/zinc/06/88/44/171068844.db2.gz KSUUHESYCQLZME-VIFPVBQESA-N 1 0 288.369 0.601 10 10 CCCERO CC(C)CNC(=O)[C@@H]([NH3+])Cc1ccc(O)c(O)c1 ZINC000040457797 174268011 /nfs/dbraw/zinc/26/80/11/174268011.db2.gz ZCNWMOAWHPSFDD-JTQLQIEISA-N 1 0 252.314 0.740 10 10 CCCERO COc1ccc(O)c(CNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)c1 ZINC000189261122 329379016 /nfs/dbraw/zinc/37/90/16/329379016.db2.gz GMQYASZEJOCDDC-NWDGAFQWSA-N 1 0 280.324 0.394 10 10 CCCERO [NH3+]C1(C(=O)NCc2ccccc2O)CCOCC1 ZINC000166202374 623703245 /nfs/dbraw/zinc/70/32/45/623703245.db2.gz CIGVGKKCRSENQO-UHFFFAOYSA-N 1 0 250.298 0.516 10 10 CCCERO COc1c(C)cc2c(c1O)[C@@H](CO)[NH2+][C@H](CO)C2 ZINC000013368719 348026445 /nfs/dbraw/zinc/02/64/45/348026445.db2.gz YZJBKEBOMYOVHX-VHSXEESVSA-N 1 0 253.298 0.249 10 10 CCCERO C[C@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1ccc(O)cc1O ZINC000019899997 170911220 /nfs/dbraw/zinc/91/12/20/170911220.db2.gz DGDVZPRQDHSRER-IUCAKERBSA-N 1 0 271.338 0.936 10 10 CCCERO C[NH+](C)CCNS(=O)(=O)Cc1ccc(N)cc1 ZINC000021797687 171324994 /nfs/dbraw/zinc/32/49/94/171324994.db2.gz KFKWMFIBDRESAK-UHFFFAOYSA-N 1 0 257.359 0.250 10 10 CCCERO CN(C)c1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000184008333 262005243 /nfs/dbraw/zinc/00/52/43/262005243.db2.gz TUFSDZYSVGJLCV-KGLIPLIRSA-N 1 0 250.342 0.680 10 10 CCCERO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(O)c2O)CCO1 ZINC000193074787 351809955 /nfs/dbraw/zinc/80/99/55/351809955.db2.gz MSSNXPGYCKVGQX-SNVBAGLBSA-N 1 0 280.324 0.500 10 10 CCCERO COc1ccc([C@H](C)[NH2+]CCS(N)(=O)=O)c(O)c1 ZINC000036744868 172672515 /nfs/dbraw/zinc/67/25/15/172672515.db2.gz QAUCHSGWAGRZNT-QMMMGPOBSA-N 1 0 274.342 0.340 10 10 CCCERO NC(=O)CN1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000037363536 173152839 /nfs/dbraw/zinc/15/28/39/173152839.db2.gz WUKZBKAWPOGUBS-UHFFFAOYSA-N 1 0 289.379 0.661 10 10 CCCERO CN(C)c1ccc(CNC(=O)C2([NH3+])CCOCC2)cc1 ZINC000132230469 616014402 /nfs/dbraw/zinc/01/44/02/616014402.db2.gz PJEALFKRQWCVSY-UHFFFAOYSA-N 1 0 277.368 0.877 10 10 CCCERO COc1ccc(N2CCN(C(=O)[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000062112300 637151577 /nfs/dbraw/zinc/15/15/77/637151577.db2.gz WYGMCEXGHIPDQZ-ZDUSSCGKSA-N 1 0 289.379 0.953 10 10 CCCERO C[N@H+](CCC(=O)Nc1ccc(N)cc1)CC(N)=O ZINC000037268152 173078816 /nfs/dbraw/zinc/07/88/16/173078816.db2.gz YBHICKSCQMURTJ-UHFFFAOYSA-N 1 0 250.302 0.015 10 10 CCCERO COc1ccc(N(CCC[NH3+])C[C@@H](C)C(N)=O)cc1 ZINC000037226994 173046949 /nfs/dbraw/zinc/04/69/49/173046949.db2.gz WLQVLQIKBYOZQV-LLVKDONJSA-N 1 0 265.357 0.972 10 10 CCCERO OC[C@H](O)C[NH2+]Cc1cc(Br)ccc1O ZINC000227542425 544836185 /nfs/dbraw/zinc/83/61/85/544836185.db2.gz QYIQJIJCPGMBIH-SECBINFHSA-N 1 0 276.130 0.598 10 10 CCCERO CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)Cc2ccccc2O)C1 ZINC000040636498 260332787 /nfs/dbraw/zinc/33/27/87/260332787.db2.gz KSBGSXXQYZDDTQ-NWDGAFQWSA-N 1 0 264.325 0.728 10 10 CCCERO Cc1ccc(O)c(C[NH2+]CCNS(C)(=O)=O)c1 ZINC000071406854 176156484 /nfs/dbraw/zinc/15/64/84/176156484.db2.gz LKWCUUQWYRSMQV-UHFFFAOYSA-N 1 0 258.343 0.339 10 10 CCCERO CN(Cc1ccccc1O)C(=O)C1([NH3+])CCOCC1 ZINC000127827167 616170657 /nfs/dbraw/zinc/17/06/57/616170657.db2.gz LLRURRHWWRMPCC-UHFFFAOYSA-N 1 0 264.325 0.859 10 10 CCCERO COc1c(C)cc2c(c1O)[C@H](CO)[NH2+][C@H](CO)C2 ZINC000013368717 348026619 /nfs/dbraw/zinc/02/66/19/348026619.db2.gz YZJBKEBOMYOVHX-UWVGGRQHSA-N 1 0 253.298 0.249 10 10 CCCERO CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000037823769 348211565 /nfs/dbraw/zinc/21/15/65/348211565.db2.gz LDKSRWCLBKWSBB-QWRGUYRKSA-N 1 0 250.298 0.073 10 10 CCCERO O=S1(=O)CC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000042879074 348300183 /nfs/dbraw/zinc/30/01/83/348300183.db2.gz PCEDAKPOEAOVGO-VIFPVBQESA-N 1 0 285.321 0.398 10 10 CCCERO C[C@H]([NH2+]CCNS(C)(=O)=O)c1ccc(O)cc1O ZINC000020203223 171067881 /nfs/dbraw/zinc/06/78/81/171067881.db2.gz GGDZYWNOEAXTRU-QMMMGPOBSA-N 1 0 274.342 0.298 10 10 CCCERO COc1ccc(O)c(C[NH2+]C[C@@H]2CN(C)CCO2)c1 ZINC000091667022 260266546 /nfs/dbraw/zinc/26/65/46/260266546.db2.gz LTKWBXRBZUJNBY-CYBMUJFWSA-N 1 0 266.341 0.821 10 10 CCCERO [NH3+][C@@H](CO)c1ccc(I)cc1O ZINC000072199587 279666690 /nfs/dbraw/zinc/66/66/90/279666690.db2.gz HLIMKGPHBAQWFJ-ZETCQYMHSA-N 1 0 279.077 0.989 10 10 CCCERO CCOCc1cc(CNC[C@H]2C[NH2+]C[C@@H]2O)ccc1OC ZINC000262153520 330000838 /nfs/dbraw/zinc/00/08/38/330000838.db2.gz RQSNHMVBWKTFRZ-GJZGRUSLSA-N 1 0 294.395 0.902 10 10 CCCERO [NH3+][C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000041030261 633542531 /nfs/dbraw/zinc/54/25/31/633542531.db2.gz CPKIQDZSAOSJGE-QMMMGPOBSA-N 1 0 292.295 0.853 10 10 CCCERO C[C@@H]([NH3+])c1ccc(N2CCN(CCO)CC2)c(F)c1 ZINC000036231536 134813221 /nfs/dbraw/zinc/81/32/21/134813221.db2.gz LYUUCKWZLLBXJT-LLVKDONJSA-N 1 0 267.348 0.960 10 10 CCCERO CC[C@@H]([NH2+]CCNS(C)(=O)=O)c1ccccc1O ZINC000020203382 171067691 /nfs/dbraw/zinc/06/76/91/171067691.db2.gz XFAXJEPARYZVOZ-LLVKDONJSA-N 1 0 272.370 0.982 10 10 CCCERO C[C@@H](C(=O)Nc1ccc(N)cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000022162041 171364237 /nfs/dbraw/zinc/36/42/37/171364237.db2.gz PILVBOYRKLNLRK-JTQLQIEISA-N 1 0 290.367 0.793 10 10 CCCERO C[C@@H](C(=O)Nc1ccc(N)cc1)[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000022220115 171377340 /nfs/dbraw/zinc/37/73/40/171377340.db2.gz WHLKOSBIIIHXRZ-WDEREUQCSA-N 1 0 290.367 0.793 10 10 CCCERO C[NH2+]CCN(C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000070987713 624701516 /nfs/dbraw/zinc/70/15/16/624701516.db2.gz ZAHGBOKONALHKY-UHFFFAOYSA-N 1 0 280.284 0.581 10 10 CCCERO Cc1ccc(O)c([C@@H](C)[NH2+]CCNS(C)(=O)=O)c1 ZINC000035628959 172308129 /nfs/dbraw/zinc/30/81/29/172308129.db2.gz QFVGKTVZTDXKRP-SNVBAGLBSA-N 1 0 272.370 0.900 10 10 CCCERO COc1ccc(N(CCC[NH3+])[C@H](C)C(N)=O)cc1 ZINC000036730934 172662418 /nfs/dbraw/zinc/66/24/18/172662418.db2.gz AHXMJMABEXQVGB-SNVBAGLBSA-N 1 0 251.330 0.724 10 10 CCCERO O=C1NCCC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000050395533 622790825 /nfs/dbraw/zinc/79/08/25/622790825.db2.gz LWISDICVVSRVCP-SECBINFHSA-N 1 0 264.281 0.489 10 10 CCCERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000040825966 649282942 /nfs/dbraw/zinc/28/29/42/649282942.db2.gz ALIBWLFCMARPLP-ZIAGYGMSSA-N 1 0 277.368 0.746 10 10 CCCERO CN1CCO[C@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000226607660 352029893 /nfs/dbraw/zinc/02/98/93/352029893.db2.gz KXNJOIQALBNXDE-GFCCVEGCSA-N 1 0 254.305 0.952 10 10 CCCERO NC(=O)NC(=O)C[N@H+](Cc1ccc(N)cc1)C1CC1 ZINC000035366020 172156969 /nfs/dbraw/zinc/15/69/69/172156969.db2.gz UBXDWSZZFCUATA-UHFFFAOYSA-N 1 0 262.313 0.428 10 10 CCCERO C[NH2+][C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000133111371 617048746 /nfs/dbraw/zinc/04/87/46/617048746.db2.gz DPPKHJZOEMFWLZ-MRVPVSSYSA-N 1 0 292.295 0.724 10 10 CCCERO C[NH2+]Cc1ccc(N2CCC[C@@H]2C(N)=O)c(F)c1 ZINC000034824474 171878935 /nfs/dbraw/zinc/87/89/35/171878935.db2.gz WUEWTVCZSSHAAU-GFCCVEGCSA-N 1 0 251.305 0.999 10 10 CCCERO CN1C(=O)C(=C/C=C2\CCC[N@@H+]2C)C(=O)N(C)C1=O ZINC000100287642 277035330 /nfs/dbraw/zinc/03/53/30/277035330.db2.gz BUVPIPXDBJMXEK-RMKNXTFCSA-N 1 0 263.297 0.573 10 10 CCCERO COC[C@@H]([NH3+])C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000159107829 649315365 /nfs/dbraw/zinc/31/53/65/649315365.db2.gz HHYQXUWOTCZPOS-CQSZACIVSA-N 1 0 293.367 0.318 10 10 CCCERO Oc1ccc(F)cc1C[NH2+][C@H]1COC[C@H]1n1ccnn1 ZINC000284859382 353557343 /nfs/dbraw/zinc/55/73/43/353557343.db2.gz QXBPDORPBKKNMA-NWDGAFQWSA-N 1 0 278.287 0.853 10 10 CCCERO C[C@@H]([NH2+][C@@H]1CCS(=O)(=O)C1)c1cc(O)ccc1O ZINC000019900102 170911807 /nfs/dbraw/zinc/91/18/07/170911807.db2.gz ZUYIKHZGKXRUOF-RKDXNWHRSA-N 1 0 271.338 0.936 10 10 CCCERO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000189298122 329379328 /nfs/dbraw/zinc/37/93/28/329379328.db2.gz DIDVSDWDVXXSNE-WDEREUQCSA-N 1 0 280.324 0.133 10 10 CCCERO NC(=O)C1CC[NH+](CCC(=O)Nc2ccc(N)cc2)CC1 ZINC000022214370 171375007 /nfs/dbraw/zinc/37/50/07/171375007.db2.gz PATSDQPZNNGRHH-UHFFFAOYSA-N 1 0 290.367 0.795 10 10 CCCERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000282386318 353419145 /nfs/dbraw/zinc/41/91/45/353419145.db2.gz OSELBQMNVHJOAE-SCZZXKLOSA-N 1 0 278.308 0.878 10 10 CCCERO [NH3+]Cc1cc(F)c(N2CCS(=O)(=O)CC2)c(F)c1 ZINC000062711043 527249326 /nfs/dbraw/zinc/24/93/26/527249326.db2.gz NACVZTSHOLWNBQ-UHFFFAOYSA-N 1 0 276.308 0.658 10 10 CCCERO C[C@@H]([NH2+]CCNS(C)(=O)=O)c1cc(O)ccc1O ZINC000020203286 171067451 /nfs/dbraw/zinc/06/74/51/171067451.db2.gz KDQOLYYDFWAXNG-MRVPVSSYSA-N 1 0 274.342 0.298 10 10 CCCERO COc1ccc(O)c(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1 ZINC000038083141 174092428 /nfs/dbraw/zinc/09/24/28/174092428.db2.gz LVHZMVLKCNLCMW-JTQLQIEISA-N 1 0 285.365 0.925 10 10 CCCERO COC[C@H](O)CN(C)c1c(F)cc(C[NH3+])cc1F ZINC000062713292 522782600 /nfs/dbraw/zinc/78/26/00/522782600.db2.gz ZZHGOWBFMKPZOY-SECBINFHSA-N 1 0 260.284 0.867 10 10 CCCERO Nc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000061709691 527497403 /nfs/dbraw/zinc/49/74/03/527497403.db2.gz HWAITVJMQIWRQD-NWDGAFQWSA-N 1 0 252.314 0.075 10 10 CCCERO [NH3+]CCCCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000013397373 571700209 /nfs/dbraw/zinc/70/02/09/571700209.db2.gz KTZNZCYTXQYEHT-XQRVVYSFSA-N 1 0 250.298 0.966 10 10 endogenous,in-man CCCERO NC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(N)cc2)C1 ZINC000022214872 171375339 /nfs/dbraw/zinc/37/53/39/171375339.db2.gz ULUICOUJYPBORN-SNVBAGLBSA-N 1 0 276.340 0.405 10 10 CCCERO [NH3+][C@@H](CO)c1cc(I)ccc1O ZINC000072199585 176340956 /nfs/dbraw/zinc/34/09/56/176340956.db2.gz POUYZHXQKGUXOZ-ZETCQYMHSA-N 1 0 279.077 0.989 10 10 CCCERO COc1cccc(C[NH2+]C[C@@H]2CN(C)CCO2)c1O ZINC000105470888 261359376 /nfs/dbraw/zinc/35/93/76/261359376.db2.gz DRGQFTZDAVMUCO-GFCCVEGCSA-N 1 0 266.341 0.821 10 10 CCCERO CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000040825875 522199166 /nfs/dbraw/zinc/19/91/66/522199166.db2.gz ZPAZGBAUDMWXKY-OLZOCXBDSA-N 1 0 263.341 0.092 10 10 CCCERO CN1CCO[C@@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000226607655 523938414 /nfs/dbraw/zinc/93/84/14/523938414.db2.gz KXNJOIQALBNXDE-LBPRGKRZSA-N 1 0 254.305 0.952 10 10 CCCERO COc1cc([N+](=O)[O-])c(N2CCO[C@H](C[NH3+])C2)cc1OC ZINC000165862611 636914670 /nfs/dbraw/zinc/91/46/70/636914670.db2.gz ZXHYJFGDMOLCFG-SECBINFHSA-N 1 0 297.311 0.776 10 10 CCCERO [NH3+]CC1(C(=O)NCc2ccccc2O)CCOCC1 ZINC000228423921 637058339 /nfs/dbraw/zinc/05/83/39/637058339.db2.gz IKFAOPKQYQEUJL-UHFFFAOYSA-N 1 0 264.325 0.764 10 10 CCCERO CCCCn1c(=O)c2cccc3c2-c(cc(=[N+]=N)c3=O)c1=O ZINC000642695101 377605463 /nfs/dbraw/zinc/60/54/63/377605463.db2.gz DEQSASOJLCARAG-UHFFFAOYSA-N 1 0 296.306 0.642 10 10 CCCERO CC[C@H]([NH2+]CCNS(C)(=O)=O)c1ccccc1O ZINC000020203385 171067645 /nfs/dbraw/zinc/06/76/45/171067645.db2.gz XFAXJEPARYZVOZ-NSHDSACASA-N 1 0 272.370 0.982 10 10 CCCERO C[C@@H](C(=O)NC(N)=O)N(C)c1ccc(C[NH3+])cc1 ZINC000034653882 171848148 /nfs/dbraw/zinc/84/81/48/171848148.db2.gz GXFUDKJVLHGJRB-QMMMGPOBSA-N 1 0 250.302 0.165 10 10 CCCERO CCOCc1cc(CNC[C@@H]2C[NH2+]C[C@@H]2O)ccc1OC ZINC000262153519 330000882 /nfs/dbraw/zinc/00/08/82/330000882.db2.gz RQSNHMVBWKTFRZ-CABCVRRESA-N 1 0 294.395 0.902 10 10 CCCERO O=C1NCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000050394754 622790875 /nfs/dbraw/zinc/79/08/75/622790875.db2.gz UNENOBTZWWEILP-OAHLLOKOSA-N 1 0 289.379 0.891 10 10 CCCERO C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[NH2+]1 ZINC000052783462 623054990 /nfs/dbraw/zinc/05/49/90/623054990.db2.gz PJRCOSBJIQEWLQ-MRVPVSSYSA-N 1 0 292.295 0.724 10 10 CCCERO [NH3+][C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000041030262 633542703 /nfs/dbraw/zinc/54/27/03/633542703.db2.gz 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C[NH2+]Cc1cc(F)c(N2CCNC(=O)C2)c(F)c1 ZINC000062709658 522110238 /nfs/dbraw/zinc/11/02/38/522110238.db2.gz UOJPSYGZLQBXKI-UHFFFAOYSA-N 1 0 255.268 0.620 10 10 CCCERO CC(C)[C@H]([NH3+])C(=O)NCCc1ccc(O)c(O)c1 ZINC000083392089 178398362 /nfs/dbraw/zinc/39/83/62/178398362.db2.gz QKPLPSFBBTVQSY-LBPRGKRZSA-N 1 0 252.314 0.740 10 10 CCCERO C[NH+](C)CCCNS(=O)(=O)Cc1ccc(N)cc1 ZINC000021011139 171287137 /nfs/dbraw/zinc/28/71/37/171287137.db2.gz FWUYUCWFPKQFMT-UHFFFAOYSA-N 1 0 271.386 0.640 10 10 CCCERO CNC(=O)[C@@H](C)N(CCC[NH3+])c1ccc(OC)cc1 ZINC000037298619 173102287 /nfs/dbraw/zinc/10/22/87/173102287.db2.gz PHSLWHXCDKXTIE-LLVKDONJSA-N 1 0 265.357 0.985 10 10 CCCERO Nc1ccc(N2C(=O)C[C@H]([NH+]3CCCC3)C2=O)cc1 ZINC000107110946 295352965 /nfs/dbraw/zinc/35/29/65/295352965.db2.gz CVOYWFTWNTYHSR-LBPRGKRZSA-N 1 0 259.309 0.997 10 10 CCCERO [NH3+][C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1CCC1 ZINC000052210851 527336116 /nfs/dbraw/zinc/33/61/16/527336116.db2.gz OWTJOUGVGOVADD-JTQLQIEISA-N 1 0 250.298 0.636 10 10 CCCERO C[NH2+][C@H](C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000147626697 617049242 /nfs/dbraw/zinc/04/92/42/617049242.db2.gz RSRBOSHRAXNKAQ-LLVKDONJSA-N 1 0 295.358 0.886 10 10 CCCERO COc1ccc([C@@H](C)[NH2+]CCNS(C)(=O)=O)c(O)c1 ZINC000020203775 171068429 /nfs/dbraw/zinc/06/84/29/171068429.db2.gz KSUUHESYCQLZME-SECBINFHSA-N 1 0 288.369 0.601 10 10 CCCERO C[C@H](C(=O)Nc1ccc(N)cc1)[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000022220113 171377166 /nfs/dbraw/zinc/37/71/66/171377166.db2.gz WHLKOSBIIIHXRZ-GHMZBOCLSA-N 1 0 290.367 0.793 10 10 CCCERO CS(=O)(=O)CCC[NH2+]Cc1ccc(O)c(O)c1 ZINC000038047060 174057135 /nfs/dbraw/zinc/05/71/35/174057135.db2.gz GUYZFYUEWXZTMJ-UHFFFAOYSA-N 1 0 259.327 0.622 10 10 CCCERO COc1cc([N+](=O)[O-])c(N2CCO[C@@H](C[NH3+])C2)cc1OC ZINC000165862748 636915074 /nfs/dbraw/zinc/91/50/74/636915074.db2.gz ZXHYJFGDMOLCFG-VIFPVBQESA-N 1 0 297.311 0.776 10 10 CCCERO CNC(=O)C[N@H+](C)CCCOc1ccc(N)cc1 ZINC000037269570 173081366 /nfs/dbraw/zinc/08/13/66/173081366.db2.gz HYZHUWGTLIPRQR-UHFFFAOYSA-N 1 0 251.330 0.716 10 10 CCCERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000282386324 353419025 /nfs/dbraw/zinc/41/90/25/353419025.db2.gz OSELBQMNVHJOAE-WPRPVWTQSA-N 1 0 278.308 0.878 10 10 CCCERO CNC(=O)[C@@H]1CCCN1c1ccc(C[NH3+])cc1F ZINC000044412390 175171936 /nfs/dbraw/zinc/17/19/36/175171936.db2.gz GULGXJQHFRECSF-LBPRGKRZSA-N 1 0 251.305 0.999 10 10 CCCERO COC[C@@H]([NH3+])C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000167844376 636979599 /nfs/dbraw/zinc/97/95/99/636979599.db2.gz AKZMAURHDPXDHQ-CYBMUJFWSA-N 1 0 265.357 0.685 10 10 CCCERO CN1CCC([NH2+]Cc2ccc(O)c(O)c2O)CC1 ZINC000083392003 178398400 /nfs/dbraw/zinc/39/84/00/178398400.db2.gz KZTOIHNMCUMYSL-UHFFFAOYSA-N 1 0 252.314 0.987 10 10 CCCERO COc1ccc(O)c(C[NH2+]C[C@H]2CCS(=O)(=O)C2)c1 ZINC000038083142 174092955 /nfs/dbraw/zinc/09/29/55/174092955.db2.gz LVHZMVLKCNLCMW-SNVBAGLBSA-N 1 0 285.365 0.925 10 10 CCCERO O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCC[NH2+]1 ZINC000182627533 327814515 /nfs/dbraw/zinc/81/45/15/327814515.db2.gz LFSHYUYUPJSRCH-JTQLQIEISA-N 1 0 250.298 0.509 10 10 CCCERO Nc1ccc(CCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000188185372 329365136 /nfs/dbraw/zinc/36/51/36/329365136.db2.gz PVPXABMJIYMIIY-CMPLNLGQSA-N 1 0 251.305 0.628 10 10 CCCERO N=[N+]=CC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000096291110 389058577 /nfs/dbraw/zinc/05/85/77/389058577.db2.gz CWHSHLWIQRUKDL-UHFFFAOYSA-N 1 0 258.257 0.942 10 10 CCCERO C[N@@H+]1CCCN(CC(=O)Nc2ccc(N)cc2)CC1 ZINC000020217479 171079926 /nfs/dbraw/zinc/07/99/26/171079926.db2.gz XZJGEWYXIHRCMG-UHFFFAOYSA-N 1 0 262.357 0.845 10 10 CCCERO CCOCc1cc(CNC[C@@H]2C[NH2+]C[C@H]2O)ccc1OC ZINC000262153521 330000914 /nfs/dbraw/zinc/00/09/14/330000914.db2.gz RQSNHMVBWKTFRZ-HUUCEWRRSA-N 1 0 294.395 0.902 10 10 CCCERO COc1ccc(CNC[C@H]2C[NH2+]C[C@@H]2O)cc1C ZINC000262153434 330000958 /nfs/dbraw/zinc/00/09/58/330000958.db2.gz RLMDVJJAIOOLLD-STQMWFEESA-N 1 0 250.342 0.674 10 10 CCCERO CCN(CC(=O)NC)c1c(F)cc(C[NH3+])cc1F ZINC000062712712 520328012 /nfs/dbraw/zinc/32/80/12/520328012.db2.gz HFRRMVKFUFHXLB-UHFFFAOYSA-N 1 0 257.284 0.996 10 10 CCCERO COC[C@@H](O)CN(C)c1c(F)cc(C[NH3+])cc1F ZINC000062713289 522397025 /nfs/dbraw/zinc/39/70/25/522397025.db2.gz ZZHGOWBFMKPZOY-VIFPVBQESA-N 1 0 260.284 0.867 10 10 CCCERO CCCCNC(=O)[C@@H]([NH3+])Cc1ccc(O)c(O)c1 ZINC000040458124 174268419 /nfs/dbraw/zinc/26/84/19/174268419.db2.gz ADJPNBJZGIXEED-JTQLQIEISA-N 1 0 252.314 0.884 10 10 CCCERO CS(=O)(=O)CCN1CCCc2cc(C[NH3+])ccc21 ZINC000062801614 525122995 /nfs/dbraw/zinc/12/29/95/525122995.db2.gz FLSAOBZQXSZGLA-UHFFFAOYSA-N 1 0 268.382 0.943 10 10 CCCERO CSCC[C@H]([NH3+])C(=O)NCCc1ccc(O)c(O)c1 ZINC000147462166 350469363 /nfs/dbraw/zinc/46/93/63/350469363.db2.gz FCVJLZZVWXRNCW-JTQLQIEISA-N 1 0 284.381 0.837 10 10 CCCERO COCCNC(=O)CN(C)c1ccc(C[NH3+])c(Cl)c1 ZINC000061846121 523891645 /nfs/dbraw/zinc/89/16/45/523891645.db2.gz SNFOLYPSUWJNID-UHFFFAOYSA-N 1 0 285.775 0.998 10 10 CCCERO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCc2ccc(N)cc2)C1 ZINC000191867945 389019326 /nfs/dbraw/zinc/01/93/26/389019326.db2.gz QLWOHGQBMZQFGX-QWHCGFSZSA-N 1 0 263.341 0.304 10 10 CCCERO CC(=O)NCCC[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC000027715338 171529512 /nfs/dbraw/zinc/52/95/12/171529512.db2.gz JPWXFMHPYJXHQC-ZDUSSCGKSA-N 1 0 268.313 0.247 10 10 CCCERO Cc1ccc(O)c(C[NH2+][C@H]2CCS(=O)(=O)C2)c1 ZINC000071403631 176154810 /nfs/dbraw/zinc/15/48/10/176154810.db2.gz XNBHRACPHMVCHI-NSHDSACASA-N 1 0 255.339 0.977 10 10 CCCERO Cc1ccc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c(O)c1O ZINC000182460633 329239657 /nfs/dbraw/zinc/23/96/57/329239657.db2.gz XTDHANFGKCQVJG-LLVKDONJSA-N 1 0 294.351 0.809 10 10 CCCERO CCCNC(=O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879786 519880341 /nfs/dbraw/zinc/88/03/41/519880341.db2.gz FYKIWKCHGLEDRK-UHFFFAOYSA-N 1 0 266.297 0.737 10 10 CCCERO CNC(=O)CN(CCC[NH3+])c1ccc(OC)cc1 ZINC000036730910 172662173 /nfs/dbraw/zinc/66/21/73/172662173.db2.gz LFDCVRFIAXYZJY-UHFFFAOYSA-N 1 0 251.330 0.596 10 10 CCCERO O=C(c1cccc(O)c1O)N1CC[C@@H](N2CCOCC2)C1 ZINC000126404470 260351603 /nfs/dbraw/zinc/35/16/03/260351603.db2.gz JZLBEGSBKMZTBL-LLVKDONJSA-N 1 0 292.335 0.645 10 10 CCCERO Nc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000061709692 527497613 /nfs/dbraw/zinc/49/76/13/527497613.db2.gz HWAITVJMQIWRQD-RYUDHWBXSA-N 1 0 252.314 0.075 10 10 CCCERO CC(C)(C(=O)NCc1ccccc1O)N1CC[NH2+]CC1 ZINC000228423285 637057740 /nfs/dbraw/zinc/05/77/40/637057740.db2.gz VOEOPSYGOKXXMF-UHFFFAOYSA-N 1 0 277.368 0.692 10 10 CCCERO COc1ccc(N2CNC(=O)C23CC[NH2+]CC3)cc1 ZINC000039432371 348230031 /nfs/dbraw/zinc/23/00/31/348230031.db2.gz CUKHXMAEHLCQIL-UHFFFAOYSA-N 1 0 261.325 0.711 10 10 CCCERO COc1ccc(S(=O)(=O)NCCC(=O)C=[N+]=N)cc1 ZINC000096295153 389059141 /nfs/dbraw/zinc/05/91/41/389059141.db2.gz RRIXRFNBOPWFAU-UHFFFAOYSA-N 1 0 284.317 0.243 10 10 CCCERO CCC[C@H]([NH3+])C(=O)NCCc1ccc(O)c(O)c1 ZINC000262538717 521112253 /nfs/dbraw/zinc/11/22/53/521112253.db2.gz KPFKWZSMFOIKIE-JTQLQIEISA-N 1 0 252.314 0.884 10 10 CCCERO CN(CCC[NH3+])c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000156864867 636887607 /nfs/dbraw/zinc/88/76/07/636887607.db2.gz YESJMCRXPJYLDF-UHFFFAOYSA-N 1 0 280.284 0.711 10 10 CCCERO CC1(C)C(=O)NCCN1c1ccc(C[NH3+])cc1F ZINC000112392574 136532426 /nfs/dbraw/zinc/53/24/26/136532426.db2.gz JHJIYBFYDFFBRT-UHFFFAOYSA-N 1 0 251.305 0.999 10 10 CCCERO Nc1ccc(CCC[NH+]2CCN(CCO)CC2)cc1 ZINC000058267537 348623884 /nfs/dbraw/zinc/62/38/84/348623884.db2.gz FYFYBGBRRCUOOM-UHFFFAOYSA-N 1 0 263.385 0.811 10 10 CCCERO O=S1(=O)CC[C@H](C[NH2+]Cc2ccc(O)cc2O)C1 ZINC000038082582 174092115 /nfs/dbraw/zinc/09/21/15/174092115.db2.gz LDUFYFWUJFOYSG-SECBINFHSA-N 1 0 271.338 0.622 10 10 CCCERO O=C(c1cccc(O)c1O)N1CC[C@H](N2CCOCC2)C1 ZINC000126404276 260351616 /nfs/dbraw/zinc/35/16/16/260351616.db2.gz JZLBEGSBKMZTBL-NSHDSACASA-N 1 0 292.335 0.645 10 10 CCCERO CN1C(=O)C(=C/C=C2/CCC[N@@H+]2C)C(=O)N(C)C1=O ZINC000095930873 277035175 /nfs/dbraw/zinc/03/51/75/277035175.db2.gz BUVPIPXDBJMXEK-TWGQIWQCSA-N 1 0 263.297 0.573 10 10 CCCERO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2ccc(N)cc2)C[C@H]1C ZINC000246698748 525751804 /nfs/dbraw/zinc/75/18/04/525751804.db2.gz WBJDJJXNWQSOLR-OLZOCXBDSA-N 1 0 291.395 0.725 10 10 CCCERO CC(C)C(=O)NCC[NH2+]Cc1ccc(O)c(O)c1 ZINC000020125174 171007884 /nfs/dbraw/zinc/00/78/84/171007884.db2.gz KUHCZTYDMDMBNV-UHFFFAOYSA-N 1 0 252.314 0.960 10 10 CCCERO C[N@H+](CCCC(=O)Nc1ccc(N)cc1)CC(N)=O ZINC000037268154 173078526 /nfs/dbraw/zinc/07/85/26/173078526.db2.gz PIARVWIVNYMAPG-UHFFFAOYSA-N 1 0 264.329 0.405 10 10 CCCERO Oc1cc2c(cc1C[NH2+]CCc1nnc[nH]1)OCO2 ZINC000080574424 260180974 /nfs/dbraw/zinc/18/09/74/260180974.db2.gz ORXJWIBQPYBOOP-UHFFFAOYSA-N 1 0 262.269 0.571 10 10 CCCERO COc1ccc(N(C)CCn2cc(C[NH3+])nn2)cc1 ZINC000052541827 524353301 /nfs/dbraw/zinc/35/33/01/524353301.db2.gz DEIMPZYOFOYHEJ-UHFFFAOYSA-N 1 0 261.329 0.882 10 10 CCCERO NC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(N)cc2)C1 ZINC000022214875 171375468 /nfs/dbraw/zinc/37/54/68/171375468.db2.gz ULUICOUJYPBORN-JTQLQIEISA-N 1 0 276.340 0.405 10 10 CCCERO COc1ccc(N(CCC[NH3+])C[C@H](C)C(N)=O)cc1 ZINC000037226993 173047205 /nfs/dbraw/zinc/04/72/05/173047205.db2.gz WLQVLQIKBYOZQV-NSHDSACASA-N 1 0 265.357 0.972 10 10 CCCERO Cc1ccc(O)c(C[NH2+][C@@H]2CCS(=O)(=O)C2)c1 ZINC000071403630 176154661 /nfs/dbraw/zinc/15/46/61/176154661.db2.gz XNBHRACPHMVCHI-LLVKDONJSA-N 1 0 255.339 0.977 10 10 CCCERO O=C1COc2cc([N+](=O)[O-])c(N3CCC[NH2+]CC3)cc2N1 ZINC000035452587 648823226 /nfs/dbraw/zinc/82/32/26/648823226.db2.gz NGAMKPYERRVGRW-UHFFFAOYSA-N 1 0 292.295 0.725 10 10 CCCERO [NH3+][C@H](CO)c1cc(I)ccc1O ZINC000072199584 176340900 /nfs/dbraw/zinc/34/09/00/176340900.db2.gz POUYZHXQKGUXOZ-SSDOTTSWSA-N 1 0 279.077 0.989 10 10 CCCERO COc1cc(C)cc(C[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)c1O ZINC000164498676 631910169 /nfs/dbraw/zinc/91/01/69/631910169.db2.gz ZXIHLMNVEKSWKW-MFKMUULPSA-N 1 0 294.351 0.784 10 10 CCCERO O=S1(=O)CC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000042879070 348299856 /nfs/dbraw/zinc/29/98/56/348299856.db2.gz PCEDAKPOEAOVGO-SECBINFHSA-N 1 0 285.321 0.398 10 10 CCCERO C[C@H]([NH3+])c1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000036162032 134807190 /nfs/dbraw/zinc/80/71/90/134807190.db2.gz ZMHRNYUIQAOHRM-JTQLQIEISA-N 1 0 254.355 0.941 10 10 CCCERO CC(C)C(=O)NCC[NH2+]Cc1ccc(O)cc1O ZINC000020125195 171008371 /nfs/dbraw/zinc/00/83/71/171008371.db2.gz ZRPGNBQFQHCYJI-UHFFFAOYSA-N 1 0 252.314 0.960 10 10 CCCERO CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000094570175 522200779 /nfs/dbraw/zinc/20/07/79/522200779.db2.gz POHZVGQMFJYAHT-KGLIPLIRSA-N 1 0 277.368 0.875 10 10 CCCERO Cc1ccc([C@@H](C)[NH2+]CCNS(C)(=O)=O)c(O)c1 ZINC000020203723 171068460 /nfs/dbraw/zinc/06/84/60/171068460.db2.gz JMZFEBKUZJJUOZ-SNVBAGLBSA-N 1 0 272.370 0.900 10 10 CCCERO Cc1ccc(O)c([C@H](C)[NH2+]CCNS(C)(=O)=O)c1 ZINC000035628960 172308175 /nfs/dbraw/zinc/30/81/75/172308175.db2.gz QFVGKTVZTDXKRP-JTQLQIEISA-N 1 0 272.370 0.900 10 10 CCCERO NC(=O)C1CCN(c2ccc(C[NH3+])cc2F)CC1 ZINC000020469672 134731052 /nfs/dbraw/zinc/73/10/52/134731052.db2.gz HTGGTFLOSCRRKP-UHFFFAOYSA-N 1 0 251.305 0.986 10 10 CCCERO COc1cccc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1O ZINC000038082673 174091938 /nfs/dbraw/zinc/09/19/38/174091938.db2.gz NJUOGSBRIBIKJY-JTQLQIEISA-N 1 0 285.365 0.925 10 10 CCCERO COc1ccc(CNC[C@@H]2C[NH2+]C[C@H]2O)cc1C ZINC000262153431 330000634 /nfs/dbraw/zinc/00/06/34/330000634.db2.gz RLMDVJJAIOOLLD-CHWSQXEVSA-N 1 0 250.342 0.674 10 10 CCCERO S=C1NNC2(CC[NH+](Cc3ccccc3)CC2)NN1 ZINC000072415016 348922638 /nfs/dbraw/zinc/92/26/38/348922638.db2.gz MNIVCGPDHBJGGW-UHFFFAOYSA-N 1 0 277.397 0.466 10 10 CCCERO Cc1ccc(S(=O)(=O)NCCC(=O)C=[N+]=N)cc1 ZINC000096295154 389059161 /nfs/dbraw/zinc/05/91/61/389059161.db2.gz UVRSLZQEMMATHE-UHFFFAOYSA-N 1 0 268.318 0.542 10 10 CCCERO C[C@H]([NH2+]CCNS(C)(=O)=O)c1cc(O)ccc1O ZINC000020203288 171068030 /nfs/dbraw/zinc/06/80/30/171068030.db2.gz KDQOLYYDFWAXNG-QMMMGPOBSA-N 1 0 274.342 0.298 10 10 CCCERO [NH3+][C@H](CO)c1ccc(I)cc1O ZINC000072199586 176340859 /nfs/dbraw/zinc/34/08/59/176340859.db2.gz HLIMKGPHBAQWFJ-SSDOTTSWSA-N 1 0 279.077 0.989 10 10 CCCERO Cc1ccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c(O)c1O ZINC000182460653 329239687 /nfs/dbraw/zinc/23/96/87/329239687.db2.gz XTDHANFGKCQVJG-NSHDSACASA-N 1 0 294.351 0.809 10 10 CCCERO CC(=O)NCCC[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC000027715331 348101240 /nfs/dbraw/zinc/10/12/40/348101240.db2.gz JPWXFMHPYJXHQC-CYBMUJFWSA-N 1 0 268.313 0.247 10 10 CCCERO C[C@@H]([NH2+]CCNS(C)(=O)=O)c1ccc(O)cc1O ZINC000020203220 171067725 /nfs/dbraw/zinc/06/77/25/171067725.db2.gz GGDZYWNOEAXTRU-MRVPVSSYSA-N 1 0 274.342 0.298 10 10 CCCERO CNC(=O)[C@H](C)N(CCC[NH3+])c1ccc(OC)cc1 ZINC000037298617 173102453 /nfs/dbraw/zinc/10/24/53/173102453.db2.gz PHSLWHXCDKXTIE-NSHDSACASA-N 1 0 265.357 0.985 10 10 CCCERO Nc1c(I)ccc([C@H]([NH3+])CO)c1O ZINC000072199721 176341341 /nfs/dbraw/zinc/34/13/41/176341341.db2.gz DOEYZCPQOHUMCB-ZCFIWIBFSA-N 1 0 294.092 0.571 10 10 CCCERO CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000040825871 522199540 /nfs/dbraw/zinc/19/95/40/522199540.db2.gz ZPAZGBAUDMWXKY-STQMWFEESA-N 1 0 263.341 0.092 10 10 CCCERO COc1cccc(C[NH2+][C@@H]2CCCNC2=O)c1O ZINC000050394369 624810889 /nfs/dbraw/zinc/81/08/89/624810889.db2.gz BQMYWKORIRWLME-SNVBAGLBSA-N 1 0 250.298 0.769 10 10 CCCERO C[NH2+]CC[C@@H](O)CN(C)c1ccc2c(c1)OCO2 ZINC000077434785 184591613 /nfs/dbraw/zinc/59/16/13/184591613.db2.gz SCOJIYTTYKINEY-LLVKDONJSA-N 1 0 252.314 0.822 10 10 CCCERO N=[N+]=CC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000096291524 389058793 /nfs/dbraw/zinc/05/87/93/389058793.db2.gz GVFHSBGDAYKQAE-UHFFFAOYSA-N 1 0 274.709 0.497 10 10 CCCERO C[NH+](C)C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCO1 ZINC000153001436 389294289 /nfs/dbraw/zinc/29/42/89/389294289.db2.gz IRDIQEOKJCDGAU-GFCCVEGCSA-N 1 0 294.351 0.883 10 10 CCCERO COc1ccc(N(C)[C@@]2(C[NH3+])CCS(=O)(=O)C2)cc1 ZINC000062962715 524358069 /nfs/dbraw/zinc/35/80/69/524358069.db2.gz RVZWXRSBZYFDME-CYBMUJFWSA-N 1 0 284.381 0.647 10 10 CCCERO COc1cccc(C[NH2+][C@H]2CCCNC2=O)c1O ZINC000050394370 624810898 /nfs/dbraw/zinc/81/08/98/624810898.db2.gz BQMYWKORIRWLME-JTQLQIEISA-N 1 0 250.298 0.769 10 10 CCCERO