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]([NH2+][C@H]1Cc2ccccc2[C@H]1O)c1ccc(N2CCC(O)CC2)cc1 ZINC000248137733 509243307 /nfs/dbraw/zinc/24/33/07/509243307.db2.gz PFLKNMYSLDVPTD-UZQPLGKSSA-N 1 0 352.478 2.957 10 10 FFCERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C12CCOCC2 ZINC000186269037 509613725 /nfs/dbraw/zinc/61/37/25/509613725.db2.gz KKZUKNXTQLZHSE-WOJBJXKFSA-N 1 0 360.498 2.587 10 10 FFCERO COc1cc(Br)cc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1O ZINC000128379417 508585167 /nfs/dbraw/zinc/58/51/67/508585167.db2.gz FINZVYICNVZEMU-NSHDSACASA-N 1 0 366.259 2.886 10 10 FFCERO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1COc2ccccc21 ZINC000185546091 509230903 /nfs/dbraw/zinc/23/09/03/509230903.db2.gz JUBCUHFJNHLWPP-JXFKEZNVSA-N 1 0 367.493 2.865 10 10 FFCERO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1COc2ccccc21 ZINC000185546109 509231784 /nfs/dbraw/zinc/23/17/84/509231784.db2.gz JUBCUHFJNHLWPP-UZLBHIALSA-N 1 0 367.493 2.865 10 10 FFCERO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccc(N2CCOCC2)cc1 ZINC000168111933 509645034 /nfs/dbraw/zinc/64/50/34/509645034.db2.gz AHZXDFAJYQYJCQ-FUHWJXTLSA-N 1 0 370.472 2.987 10 10 FFCERO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)c1O ZINC000194922620 510592176 /nfs/dbraw/zinc/59/21/76/510592176.db2.gz MJBSVVJETTXNSN-NSHDSACASA-N 1 0 366.849 2.883 10 10 FFCERO COc1cc(Br)cc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1O ZINC000093437322 728476375 /nfs/dbraw/zinc/47/63/75/728476375.db2.gz PTSDAAHQXBVAMU-BXUZGUMPSA-N 1 0 355.276 2.832 10 10 FFCERO COC(=O)/C=C\c1ccc(N2CCC[C@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000588524424 966566131 /nfs/dbraw/zinc/56/61/31/966566131.db2.gz CAWHHKJYYHYELN-GQSKFBFOSA-N 1 0 359.426 2.846 10 10 FFCERO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cc(C)nn3C)C2=O)cc1 ZINC000246402370 510469940 /nfs/dbraw/zinc/46/99/40/510469940.db2.gz LUEOBDJVNXBALR-QAPCUYQASA-N 1 0 355.486 2.641 10 10 FFCERO C[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000155873204 509085553 /nfs/dbraw/zinc/08/55/53/509085553.db2.gz FNHWJSWUVHSRQC-KRWDZBQOSA-N 1 0 367.497 2.633 10 10 FFCERO COc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1O ZINC000184689778 510464718 /nfs/dbraw/zinc/46/47/18/510464718.db2.gz FVKYMKGSAPNAEP-OAHLLOKOSA-N 1 0 362.861 2.945 10 10 FFCERO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000182199017 729271785 /nfs/dbraw/zinc/27/17/85/729271785.db2.gz RMRFFOIQAVUXHN-LLVKDONJSA-N 1 0 365.426 2.988 10 10 FFCERO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)[C@H]1COc2ccccc21 ZINC000185607638 509263120 /nfs/dbraw/zinc/26/31/20/509263120.db2.gz XXMDVFMHYBRVDL-HNAYVOBHSA-N 1 0 353.466 2.523 10 10 FFCERO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1O ZINC000183405413 509767073 /nfs/dbraw/zinc/76/70/73/509767073.db2.gz AFQRHGPXUQYOBC-ZDUSSCGKSA-N 1 0 365.275 2.967 10 10 FFCERO Oc1cc2c(cc1C[NH2+]CCOc1ccc(C(F)(F)F)cn1)OCO2 ZINC000152232044 728752456 /nfs/dbraw/zinc/75/24/56/728752456.db2.gz TVCOSRQEOVNBIH-UHFFFAOYSA-N 1 0 356.300 2.703 10 10 FFCERO CCC[NH+]1CCC(CNC(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000102010963 1004992153 /nfs/dbraw/zinc/99/21/53/1004992153.db2.gz GLPKUPOEQJYAAG-UHFFFAOYSA-N 1 0 358.530 2.990 10 10 FFCERO O=S(=O)([C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1)N1CCCC1 ZINC000131332690 508917309 /nfs/dbraw/zinc/91/73/09/508917309.db2.gz KMKANNRBTYABLZ-INIZCTEOSA-N 1 0 360.479 2.545 10 10 FFCERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000245737211 510115704 /nfs/dbraw/zinc/11/57/04/510115704.db2.gz QZDIVJKXTJZCSH-VYMYXMEBSA-N 1 0 367.449 2.533 10 10 FFCERO CC[NH+](CC)[C@H](C)CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000102553500 1003883023 /nfs/dbraw/zinc/88/30/23/1003883023.db2.gz SCPQGAOCLUJIES-MRXNPFEDSA-N 1 0 362.518 2.694 10 10 FFCERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cc(OC)ccc2O)ncn1 ZINC000185992531 509467520 /nfs/dbraw/zinc/46/75/20/509467520.db2.gz VPQQJUUPZRBHPJ-ZIAGYGMSSA-N 1 0 357.458 2.552 10 10 FFCERO CN1CCO[C@@H](CNC(=O)N(Cc2ccccc2O)C2CCCCC2)C1 ZINC000174749340 510290901 /nfs/dbraw/zinc/29/09/01/510290901.db2.gz FNBSJEGZLTYUQP-SFHVURJKSA-N 1 0 361.486 2.567 10 10 FFCERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(O)c1 ZINC000702849906 734358554 /nfs/dbraw/zinc/35/85/54/734358554.db2.gz WQTVQCCDFNGEHE-JJRVBVJISA-N 1 0 350.459 2.579 10 10 FFCERO CC(=O)[C@@]1(c2ccccc2)CC[NH2+]C[C@@H]1C[C@H](O)COc1ccc(N)cc1 ZINC000095934537 508197549 /nfs/dbraw/zinc/19/75/49/508197549.db2.gz MKLNIRMPKDNQBT-RCZSKKKRSA-N 1 0 368.477 2.535 10 10 FFCERO COc1cc(Cl)cc(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1O ZINC000184689798 510464826 /nfs/dbraw/zinc/46/48/26/510464826.db2.gz FVKYMKGSAPNAEP-HNNXBMFYSA-N 1 0 362.861 2.945 10 10 FFCERO CC[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1cc(Br)ccc1O ZINC000156503094 508429919 /nfs/dbraw/zinc/42/99/19/508429919.db2.gz RWKXDOZEARKYNA-AAEUAGOBSA-N 1 0 351.248 2.802 10 10 FFCERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)CC2 ZINC000185994795 509468854 /nfs/dbraw/zinc/46/88/54/509468854.db2.gz RXNYJVQAFOIWFS-JQWIXIFHSA-N 1 0 365.275 2.974 10 10 FFCERO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(N2CCOCC2)cc1 ZINC000166450338 509607265 /nfs/dbraw/zinc/60/72/65/509607265.db2.gz QIZDXJUWKXQSNF-MJGOQNOKSA-N 1 0 369.513 2.576 10 10 FFCERO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)c1O ZINC000245763778 510135187 /nfs/dbraw/zinc/13/51/87/510135187.db2.gz IZHOECUYPYFOLS-UGSOOPFHSA-N 1 0 360.429 2.709 10 10 FFCERO COc1ccc(OC)c([C@@H](C)NCC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000102696071 508282406 /nfs/dbraw/zinc/28/24/06/508282406.db2.gz WJZNPUNWEACSTI-OAHLLOKOSA-N 1 0 371.481 2.737 10 10 FFCERO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000128597450 508616796 /nfs/dbraw/zinc/61/67/96/508616796.db2.gz XPVSPYBPGGFWJI-GFCCVEGCSA-N 1 0 351.248 2.658 10 10 FFCERO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c1O ZINC000119910262 508888811 /nfs/dbraw/zinc/88/88/11/508888811.db2.gz IZHOECUYPYFOLS-FZKQIMNGSA-N 1 0 360.429 2.709 10 10 FFCERO CCOc1ccc(O)c(C[N@@H+]2CCCN(Cc3cnn(CC)c3)CC2)c1 ZINC000121645293 509179949 /nfs/dbraw/zinc/17/99/49/509179949.db2.gz LGQDHIFNFIHDRL-UHFFFAOYSA-N 1 0 358.486 2.715 10 10 FFCERO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccc(N2CCOCC2)cc1 ZINC000168112253 509644325 /nfs/dbraw/zinc/64/43/25/509644325.db2.gz AHZXDFAJYQYJCQ-AEFFLSMTSA-N 1 0 370.472 2.987 10 10 FFCERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000246055483 510267053 /nfs/dbraw/zinc/26/70/53/510267053.db2.gz YPYUEADVBINONQ-AZUAARDMSA-N 1 0 354.498 2.689 10 10 FFCERO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](C)C(C)C)cc2F)CC1 ZINC000106516390 728511269 /nfs/dbraw/zinc/51/12/69/728511269.db2.gz GNSHAVQAZDOCDR-HNNXBMFYSA-N 1 0 350.482 2.811 10 10 FFCERO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)no1 ZINC000092813953 508102423 /nfs/dbraw/zinc/10/24/23/508102423.db2.gz CAQVMTCZFDCEFR-GOSISDBHSA-N 1 0 356.470 2.669 10 10 FFCERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000121950064 508455627 /nfs/dbraw/zinc/45/56/27/508455627.db2.gz PDCXEJMOLNSWJM-HXUWFJFHSA-N 1 0 369.513 2.644 10 10 FFCERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1O)CC2 ZINC000185994835 509468951 /nfs/dbraw/zinc/46/89/51/509468951.db2.gz RXNYJVQAFOIWFS-PWSUYJOCSA-N 1 0 365.275 2.974 10 10 FFCERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cc(Cl)ccc3O)C2=O)n(C)n1 ZINC000186327509 509651133 /nfs/dbraw/zinc/65/11/33/509651133.db2.gz NPUMCQDYEGVVAT-DOMZBBRYSA-N 1 0 362.861 2.934 10 10 FFCERO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C)nc3C)cc2F)CC1 ZINC000106702879 1005356599 /nfs/dbraw/zinc/35/65/99/1005356599.db2.gz YAWJUVMFTFHKSD-UHFFFAOYSA-N 1 0 370.472 2.909 10 10 FFCERO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1COc2ccccc21 ZINC000185546143 509231450 /nfs/dbraw/zinc/23/14/50/509231450.db2.gz JUBCUHFJNHLWPP-OXQOHEQNSA-N 1 0 367.493 2.865 10 10 FFCERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cc(OC)ccc2O)ncn1 ZINC000185992511 509467292 /nfs/dbraw/zinc/46/72/92/509467292.db2.gz VPQQJUUPZRBHPJ-UONOGXRCSA-N 1 0 357.458 2.552 10 10 FFCERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000245957125 510227203 /nfs/dbraw/zinc/22/72/03/510227203.db2.gz MCNLWSVQQAOINQ-AZUAARDMSA-N 1 0 356.514 2.913 10 10 FFCERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)CC2 ZINC000185994777 509468822 /nfs/dbraw/zinc/46/88/22/509468822.db2.gz RXNYJVQAFOIWFS-CMPLNLGQSA-N 1 0 365.275 2.974 10 10 FFCERO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(N2CCOCC2)cc1 ZINC000166450178 509607133 /nfs/dbraw/zinc/60/71/33/509607133.db2.gz QIZDXJUWKXQSNF-IEBWSBKVSA-N 1 0 369.513 2.576 10 10 FFCERO CC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)CC[N@@H+]1C[C@H](C)O ZINC000246154313 729581358 /nfs/dbraw/zinc/58/13/58/729581358.db2.gz HZUSEMXSFLSFSD-BLLLJJGKSA-N 1 0 354.878 2.525 10 10 FFCERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(O)c1 ZINC000702849907 734358699 /nfs/dbraw/zinc/35/86/99/734358699.db2.gz WQTVQCCDFNGEHE-VBQJREDUSA-N 1 0 350.459 2.579 10 10 FFCERO COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c1 ZINC000103608555 1001008097 /nfs/dbraw/zinc/00/80/97/1001008097.db2.gz PHKUESVILAGLDT-NVXWUHKLSA-N 1 0 371.481 2.934 10 10 FFCERO CCOc1ccc(O)c(CN2CCN([C@H](C)c3nc(CC)no3)CC2)c1 ZINC000121411364 509172485 /nfs/dbraw/zinc/17/24/85/509172485.db2.gz QGIYQXCWUQABBG-CQSZACIVSA-N 1 0 360.458 2.615 10 10 FFCERO Cc1nc(CN2CCC[N@H+](Cc3c(O)ccc4ccccc43)CC2)no1 ZINC000179213534 509323083 /nfs/dbraw/zinc/32/30/83/509323083.db2.gz WMGFPCWAQBNNMF-UHFFFAOYSA-N 1 0 352.438 2.945 10 10 FFCERO C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3ccc(N4CC=CC4)cc3)CC[C@H]21 ZINC000246861421 510715526 /nfs/dbraw/zinc/71/55/26/510715526.db2.gz LCWVAEDCBVCAMK-AZUAARDMSA-N 1 0 354.498 2.689 10 10 FFCERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCSc1nccs1 ZINC000154583801 728807381 /nfs/dbraw/zinc/80/73/81/728807381.db2.gz IFRJHIHOFXJIKS-UONOGXRCSA-N 1 0 354.545 2.894 10 10 FFCERO CC[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)CC[N@@H+]1C[C@H](C)O ZINC000246154318 729581392 /nfs/dbraw/zinc/58/13/92/729581392.db2.gz HZUSEMXSFLSFSD-LRDDRELGSA-N 1 0 354.878 2.525 10 10 FFCERO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 ZINC000702849112 734358687 /nfs/dbraw/zinc/35/86/87/734358687.db2.gz RLSKLXHRXNLBEJ-ZQIUZPCESA-N 1 0 350.459 2.579 10 10 FFCERO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1COc2ccccc21 ZINC000185546129 509231603 /nfs/dbraw/zinc/23/16/03/509231603.db2.gz JUBCUHFJNHLWPP-OXJNMPFZSA-N 1 0 367.493 2.865 10 10 FFCERO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1COc2ccccc21 ZINC000185607602 509262330 /nfs/dbraw/zinc/26/23/30/509262330.db2.gz XXMDVFMHYBRVDL-KXBFYZLASA-N 1 0 353.466 2.523 10 10 FFCERO Cc1cc(Br)cc(C[NH+]2CCC(n3cncn3)CC2)c1O ZINC000179902210 509666357 /nfs/dbraw/zinc/66/63/57/509666357.db2.gz QXWYVRXBFZWDQG-UHFFFAOYSA-N 1 0 351.248 2.892 10 10 FFCERO OC[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1c1ccsc1 ZINC000190284409 510043041 /nfs/dbraw/zinc/04/30/41/510043041.db2.gz JNOOLMWJJPIPQY-ICSRJNTNSA-N 1 0 358.507 2.793 10 10 FFCERO COc1cccc(C[NH+]2CCC(N(C)CC(=O)OC(C)(C)C)CC2)c1O ZINC000190586077 510223619 /nfs/dbraw/zinc/22/36/19/510223619.db2.gz BVGLJVITKGRDOR-UHFFFAOYSA-N 1 0 364.486 2.639 10 10 FFCERO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC000246567172 510561441 /nfs/dbraw/zinc/56/14/41/510561441.db2.gz XPGNFRSXUAJAFG-QAPCUYQASA-N 1 0 355.486 2.722 10 10 FFCERO CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cc(OC)ccc2O)ncn1 ZINC000185992490 509468320 /nfs/dbraw/zinc/46/83/20/509468320.db2.gz VPQQJUUPZRBHPJ-KGLIPLIRSA-N 1 0 357.458 2.552 10 10 FFCERO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1O ZINC000183405440 509768280 /nfs/dbraw/zinc/76/82/80/509768280.db2.gz AFQRHGPXUQYOBC-CYBMUJFWSA-N 1 0 365.275 2.967 10 10 FFCERO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC000246567182 510560974 /nfs/dbraw/zinc/56/09/74/510560974.db2.gz XPGNFRSXUAJAFG-YJBOKZPZSA-N 1 0 355.486 2.722 10 10 FFCERO Cc1cc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)c(C)n1-c1ccc(F)cc1 ZINC000263243091 510627943 /nfs/dbraw/zinc/62/79/43/510627943.db2.gz OWZASACESNWOCE-KRWDZBQOSA-N 1 0 355.417 2.859 10 10 FFCERO CCc1nc([C@H]2CN(Cc3ccc(N4CCCCC4)cc3)CCO2)n[nH]1 ZINC000129092157 508682285 /nfs/dbraw/zinc/68/22/85/508682285.db2.gz QCMUTDPJKXTTTM-GOSISDBHSA-N 1 0 355.486 2.931 10 10 FFCERO CCOc1ccc(O)c(C[N@H+](C)C2CCN(CCn3cccn3)CC2)c1 ZINC000121232153 509153636 /nfs/dbraw/zinc/15/36/36/509153636.db2.gz IKHYLOUETCHBPI-UHFFFAOYSA-N 1 0 358.486 2.584 10 10 FFCERO COc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)cc1OC ZINC000180856878 510146325 /nfs/dbraw/zinc/14/63/25/510146325.db2.gz QKHYQKVTRMDQES-OAHLLOKOSA-N 1 0 371.481 2.737 10 10 FFCERO CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNCCC[NH+]1CCOCC1 ZINC000019848127 519894567 /nfs/dbraw/zinc/89/45/67/519894567.db2.gz FRFPVOHFLKRJBH-SDXDJHTJSA-N 1 0 374.460 2.524 10 10 FFCERO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCCC3(C)C)CC2)cc1 ZINC000102958467 1004281571 /nfs/dbraw/zinc/28/15/71/1004281571.db2.gz QUFKMVZNGKLYBU-UHFFFAOYSA-N 1 0 374.529 2.791 10 10 FFCERO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)c1ccc(N2CCC(O)CC2)cc1 ZINC000178352632 510560327 /nfs/dbraw/zinc/56/03/27/510560327.db2.gz PFLKNMYSLDVPTD-ARBPTSGCSA-N 1 0 352.478 2.957 10 10 FFCERO CC(=O)N1CC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)c2ccc(F)cc2C1 ZINC000185351675 510817670 /nfs/dbraw/zinc/81/76/70/510817670.db2.gz XZKVFTGEMNGOLC-KRWDZBQOSA-N 1 0 372.396 2.843 10 10 FFCERO COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c1 ZINC000103608545 1001008412 /nfs/dbraw/zinc/00/84/12/1001008412.db2.gz PHKUESVILAGLDT-WBVHZDCISA-N 1 0 371.481 2.934 10 10 FFCERO Oc1ccc(Br)cc1C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000093149788 508125660 /nfs/dbraw/zinc/12/56/60/508125660.db2.gz NSTISTOYPPEQTL-UHFFFAOYSA-N 1 0 363.259 2.657 10 10 FFCERO COc1cc(Br)cc(CN2CCC[N@@H+](C3CC3)CC2)c1O ZINC000179728565 509593221 /nfs/dbraw/zinc/59/32/21/509593221.db2.gz NEDBHOKOBGBTND-UHFFFAOYSA-N 1 0 355.276 2.833 10 10 FFCERO COc1cc(Cl)cc(C[NH+]2CCC(N(C)c3cccnn3)CC2)c1O ZINC000184689851 510465326 /nfs/dbraw/zinc/46/53/26/510465326.db2.gz WJCHKADJJFZULA-UHFFFAOYSA-N 1 0 362.861 2.945 10 10 FFCERO C[N@@+]12CCc3cc4c(c(O)c3[C@H]1Cc1ccc3c(c1C2)OCO3)OCO4 ZINC000504524367 717183184 /nfs/dbraw/zinc/18/31/84/717183184.db2.gz WXXDUUDJIIMROS-SZNDQCEHSA-O 1 0 354.382 2.650 10 10 FFCERO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1 ZINC000702849109 734358662 /nfs/dbraw/zinc/35/86/62/734358662.db2.gz RLSKLXHRXNLBEJ-GRDNDAEWSA-N 1 0 350.459 2.579 10 10 FFCERO C[C@@H]1C[N@@H+](C2CCN(Cc3cc(Br)ccc3O)CC2)CCO1 ZINC000092078567 508041335 /nfs/dbraw/zinc/04/13/35/508041335.db2.gz NNLFESUTWKZWBJ-CYBMUJFWSA-N 1 0 369.303 2.840 10 10 FFCERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C12CCOCC2 ZINC000186269021 509613419 /nfs/dbraw/zinc/61/34/19/509613419.db2.gz KKZUKNXTQLZHSE-PMACEKPBSA-N 1 0 360.498 2.587 10 10 FFCERO CCOCc1cc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)ccc1OC ZINC000171734068 510337216 /nfs/dbraw/zinc/33/72/16/510337216.db2.gz QLDJONNJDSZGPW-GOSISDBHSA-N 1 0 356.470 2.780 10 10 FFCERO c1ccc(NC[C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)nc1 ZINC000092812616 508102379 /nfs/dbraw/zinc/10/23/79/508102379.db2.gz QMMMENOJEDCDRS-IBGZPJMESA-N 1 0 352.482 2.852 10 10 FFCERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C12CCOCC2 ZINC000186269054 509613441 /nfs/dbraw/zinc/61/34/41/509613441.db2.gz KKZUKNXTQLZHSE-UXHICEINSA-N 1 0 360.498 2.587 10 10 FFCERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000247132481 510843151 /nfs/dbraw/zinc/84/31/51/510843151.db2.gz ATJJNVMMJDBJJE-ONTRVFCTSA-N 1 0 356.441 2.971 10 10 FFCERO C[N@+]12CCc3cc4c(c(O)c3[C@@H]1Cc1ccc3c(c1C2)OCO3)OCO4 ZINC000504524364 717183338 /nfs/dbraw/zinc/18/33/38/717183338.db2.gz WXXDUUDJIIMROS-LHSJRXKWSA-O 1 0 354.382 2.650 10 10 FFCERO CN(CC(=O)OC(C)(C)C)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000190580282 729409464 /nfs/dbraw/zinc/40/94/64/729409464.db2.gz HLIFIECMHCPZCY-UHFFFAOYSA-N 1 0 352.450 2.769 10 10 FFCERO CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cc(OC)ccc2O)ncn1 ZINC000185992468 509467978 /nfs/dbraw/zinc/46/79/78/509467978.db2.gz VPQQJUUPZRBHPJ-KBPBESRZSA-N 1 0 357.458 2.552 10 10 FFCERO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@H](O)CN2Cc2ccccc2)c1 ZINC000186193864 509570610 /nfs/dbraw/zinc/57/06/10/509570610.db2.gz GNEZKYUEQVNSFT-SZMVWBNQSA-N 1 0 356.466 2.687 10 10 FFCERO C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccc(N2CCOCC2)cc1 ZINC000168112150 509645195 /nfs/dbraw/zinc/64/51/95/509645195.db2.gz AHZXDFAJYQYJCQ-WMZOPIPTSA-N 1 0 370.472 2.987 10 10 FFCERO Cc1nc(CN2CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)cs1 ZINC000180758330 510092807 /nfs/dbraw/zinc/09/28/07/510092807.db2.gz WKBONSUTJBMKST-GQCTYLIASA-N 1 0 373.478 2.610 10 10 FFCERO C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000247008297 510796867 /nfs/dbraw/zinc/79/68/67/510796867.db2.gz KFQHCZNRBSGIRT-DLPLYFIVSA-N 1 0 356.441 2.971 10 10 FFCERO C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(Br)c2[O-])CC1 ZINC000121126503 728621102 /nfs/dbraw/zinc/62/11/02/728621102.db2.gz ZIWKQRZXNKHTQX-CYBMUJFWSA-N 1 0 371.319 2.679 10 10 FFCERO CC[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)CC[N@@H+]1C[C@@H](C)O ZINC000177130123 729129285 /nfs/dbraw/zinc/12/92/85/729129285.db2.gz HZUSEMXSFLSFSD-WBMJQRKESA-N 1 0 354.878 2.525 10 10 FFCERO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)cc1 ZINC000128688825 508629181 /nfs/dbraw/zinc/62/91/81/508629181.db2.gz XXLCJUPXPHKNFX-UXHICEINSA-N 1 0 369.513 2.681 10 10 FFCERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cc(Cl)cc(C)c3O)C2=O)n(C)n1 ZINC000182484232 509264576 /nfs/dbraw/zinc/26/45/76/509264576.db2.gz IICYDCNZUSSWQM-OAHLLOKOSA-N 1 0 362.861 2.681 10 10 FFCERO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1O ZINC000175644441 510709171 /nfs/dbraw/zinc/70/91/71/510709171.db2.gz MTKVWRKRPIFQPV-INIZCTEOSA-N 1 0 358.417 2.625 10 10 FFCERO O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@@H]([NH+]4CCCCCC4)C3)cc2N1 ZINC000091482237 507989163 /nfs/dbraw/zinc/98/91/63/507989163.db2.gz JBHLOJAVIPPTOU-CQSZACIVSA-N 1 0 374.441 2.771 10 10 FFCERO CC[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cc(Br)ccc1O ZINC000156502971 508429783 /nfs/dbraw/zinc/42/97/83/508429783.db2.gz RWKXDOZEARKYNA-DGCLKSJQSA-N 1 0 351.248 2.802 10 10 FFCERO CCCOc1ccc(C[N@@H+]2CCCN(Cc3noc(C)n3)CC2)c(O)c1 ZINC000127937986 508524552 /nfs/dbraw/zinc/52/45/52/508524552.db2.gz WAMDEGOCFJQRNZ-UHFFFAOYSA-N 1 0 360.458 2.580 10 10 FFCERO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)cc1 ZINC000128689243 508628987 /nfs/dbraw/zinc/62/89/87/508628987.db2.gz XXLCJUPXPHKNFX-WOJBJXKFSA-N 1 0 369.513 2.681 10 10 FFCERO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(N2CCOCC2)cc1 ZINC000166450254 509607281 /nfs/dbraw/zinc/60/72/81/509607281.db2.gz QIZDXJUWKXQSNF-HKUYNNGSSA-N 1 0 369.513 2.576 10 10 FFCERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000245957129 510228139 /nfs/dbraw/zinc/22/81/39/510228139.db2.gz MCNLWSVQQAOINQ-ICSRJNTNSA-N 1 0 356.514 2.913 10 10 FFCERO CN1CCO[C@H](CNC(=O)N(Cc2ccccc2O)C2CCCCC2)C1 ZINC000174749328 510290293 /nfs/dbraw/zinc/29/02/93/510290293.db2.gz FNBSJEGZLTYUQP-GOSISDBHSA-N 1 0 361.486 2.567 10 10 FFCERO CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)CN1Cc1ccccc1 ZINC000299799608 529146964 /nfs/dbraw/zinc/14/69/64/529146964.db2.gz UJZBKKGTMYKTJD-UXHICEINSA-N 1 0 367.493 2.650 10 10 FFCERO CC[C@@H]([NH2+]C[C@@H]1CN(CC)CCO1)c1cc(Br)ccc1O ZINC000165903499 728974883 /nfs/dbraw/zinc/97/48/83/728974883.db2.gz JCAAJHZCTFFNLC-UKRRQHHQSA-N 1 0 357.292 2.916 10 10 FFCERO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccccc1O ZINC000705674968 734360626 /nfs/dbraw/zinc/36/06/26/734360626.db2.gz YJVRXNPYHZFAPN-UKPHBRMFSA-N 1 0 350.459 2.661 10 10 FFCERO C[C@H]1C[N@@H+](C2CCN(Cc3cc(Br)ccc3O)CC2)CCO1 ZINC000092078569 508041349 /nfs/dbraw/zinc/04/13/49/508041349.db2.gz NNLFESUTWKZWBJ-ZDUSSCGKSA-N 1 0 369.303 2.840 10 10 FFCERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000121950131 508455533 /nfs/dbraw/zinc/45/55/33/508455533.db2.gz PDCXEJMOLNSWJM-FQEVSTJZSA-N 1 0 369.513 2.644 10 10 FFCERO CCN(CC)c1ccc(C[N@@H+]2CCCN(Cc3noc(C)n3)CC2)cc1 ZINC000127926646 508521948 /nfs/dbraw/zinc/52/19/48/508521948.db2.gz UUFDGKQQXWJRHK-UHFFFAOYSA-N 1 0 357.502 2.932 10 10 FFCERO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H]2CCCC[C@H]2n2cccn2)cc1 ZINC000128689463 508629112 /nfs/dbraw/zinc/62/91/12/508629112.db2.gz XXLCJUPXPHKNFX-VQTJNVASSA-N 1 0 369.513 2.681 10 10 FFCERO CCCn1cc(CN2CCC[N@H+](Cc3cc(OC)ccc3O)CC2)cn1 ZINC000180112603 509757884 /nfs/dbraw/zinc/75/78/84/509757884.db2.gz QRHAYYUHVOVWSM-UHFFFAOYSA-N 1 0 358.486 2.715 10 10 FFCERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000246055492 510267115 /nfs/dbraw/zinc/26/71/15/510267115.db2.gz YPYUEADVBINONQ-ICSRJNTNSA-N 1 0 354.498 2.689 10 10 FFCERO CO[C@@H](C)c1noc(CN2CCC[N@H+](Cc3cc(C)c(C)cc3O)CC2)n1 ZINC000246157602 510327248 /nfs/dbraw/zinc/32/72/48/510327248.db2.gz IHQCIHSJGOUREU-INIZCTEOSA-N 1 0 374.485 2.807 10 10 FFCERO COc1ccc(-n2c(C)cc(-c3nc([C@@H]4C[NH2+]CCN4C)no3)c2C)cc1 ZINC000263317948 510660433 /nfs/dbraw/zinc/66/04/33/510660433.db2.gz ZTOAXNQGLAULNF-SFHVURJKSA-N 1 0 367.453 2.729 10 10 FFCERO CCOc1cccc(C[NH+]2CCC(Nc3nccc(OC)n3)CC2)c1O ZINC000191692648 510788577 /nfs/dbraw/zinc/78/85/77/510788577.db2.gz GYXUPTJPZSJZTK-UHFFFAOYSA-N 1 0 358.442 2.666 10 10 FFCERO COc1cc(Br)cc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1O ZINC000245761089 729575293 /nfs/dbraw/zinc/57/52/93/729575293.db2.gz PTSDAAHQXBVAMU-RISCZKNCSA-N 1 0 355.276 2.832 10 10 FFCERO CN1CC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H]1c1cccnc1 ZINC000328642442 529793971 /nfs/dbraw/zinc/79/39/71/529793971.db2.gz RAQFXQUOZHPJMT-UNMCSNQZSA-N 1 0 366.509 2.701 10 10 FFCERO COc1cc(Br)cc(C[NH+]2CCC(n3cncn3)CC2)c1O ZINC000092647658 508089259 /nfs/dbraw/zinc/08/92/59/508089259.db2.gz WFDLISAKYGNZJD-UHFFFAOYSA-N 1 0 367.247 2.592 10 10 FFCERO CC(=O)[C@@]1(c2ccccc2)CC[NH2+]C[C@H]1C[C@H](O)COc1ccc(N)cc1 ZINC000095934539 508197634 /nfs/dbraw/zinc/19/76/34/508197634.db2.gz MKLNIRMPKDNQBT-KAGYGMCKSA-N 1 0 368.477 2.535 10 10 FFCERO COc1cccc(C[N@H+](C)C[C@H](c2cccs2)N2CCOCC2)c1O ZINC000121734416 508406462 /nfs/dbraw/zinc/40/64/62/508406462.db2.gz UZFILSCZANMJOR-MRXNPFEDSA-N 1 0 362.495 2.968 10 10 FFCERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(N(C)C)cc3)C2=O)n(C)n1 ZINC000182345453 509186995 /nfs/dbraw/zinc/18/69/95/509186995.db2.gz WDOLFGMMLPRFHP-YJBOKZPZSA-N 1 0 355.486 2.641 10 10 FFCERO CCCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c(O)c1 ZINC000247284103 510855436 /nfs/dbraw/zinc/85/54/36/510855436.db2.gz YTEGJCPJWAKSSH-VQIMIIECSA-N 1 0 359.470 2.860 10 10 FFCERO O=C(c1cccc(O)c1O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368593577 513016046 /nfs/dbraw/zinc/01/60/46/513016046.db2.gz PCXLFXLPYQDGAV-IAGOWNOFSA-N 1 0 352.434 2.692 10 10 FFCERO COc1cc(Br)cc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1O ZINC000093437323 728476363 /nfs/dbraw/zinc/47/63/63/728476363.db2.gz PTSDAAHQXBVAMU-SMDDNHRTSA-N 1 0 355.276 2.832 10 10 FFCERO CN(C)c1ccc(C[N@@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)cc1 ZINC000179215823 509324489 /nfs/dbraw/zinc/32/44/89/509324489.db2.gz RGBVCKANWZGJJW-UHFFFAOYSA-N 1 0 355.486 2.721 10 10 FFCERO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000248488015 509340425 /nfs/dbraw/zinc/34/04/25/509340425.db2.gz GNEZKYUEQVNSFT-RYQLBKOJSA-N 1 0 356.466 2.687 10 10 FFCERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cc(Cl)ccc3O)C2=O)n(C)n1 ZINC000186327523 509650243 /nfs/dbraw/zinc/65/02/43/509650243.db2.gz NPUMCQDYEGVVAT-IUODEOHRSA-N 1 0 362.861 2.934 10 10 FFCERO COc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)cc1OC ZINC000180856864 510146164 /nfs/dbraw/zinc/14/61/64/510146164.db2.gz QKHYQKVTRMDQES-HNNXBMFYSA-N 1 0 371.481 2.737 10 10 FFCERO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)c1O ZINC000187328205 510197876 /nfs/dbraw/zinc/19/78/76/510197876.db2.gz IGQYEEVMECXHBG-ZYHUDNBSSA-N 1 0 351.248 2.720 10 10 FFCERO Cc1cnn([C@@H]2CCC[N@@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)c1 ZINC000171529244 510211049 /nfs/dbraw/zinc/21/10/49/510211049.db2.gz GRCULTHWXQHVGY-HXUWFJFHSA-N 1 0 369.513 2.553 10 10 FFCERO Cc1cc(-c2nc([C@H]3C[NH2+]CCN3C)no2)c(C)n1-c1ccc(F)cc1 ZINC000263243093 510628125 /nfs/dbraw/zinc/62/81/25/510628125.db2.gz OWZASACESNWOCE-QGZVFWFLSA-N 1 0 355.417 2.859 10 10 FFCERO COc1cc(Br)cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1O ZINC000245761083 729575243 /nfs/dbraw/zinc/57/52/43/729575243.db2.gz PTSDAAHQXBVAMU-FZMZJTMJSA-N 1 0 355.276 2.832 10 10 FFCERO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[C@H](O)CN2Cc2ccccc2)c1 ZINC000186193904 509570763 /nfs/dbraw/zinc/57/07/63/509570763.db2.gz GNEZKYUEQVNSFT-JQHSSLGASA-N 1 0 356.466 2.687 10 10 FFCERO COc1ccc(O)c(C[N@H+](C)C[C@H](c2cccs2)N2CCOCC2)c1 ZINC000180114901 509760475 /nfs/dbraw/zinc/76/04/75/509760475.db2.gz KCFMLUSCFZQRNC-QGZVFWFLSA-N 1 0 362.495 2.968 10 10 FFCERO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)c1O ZINC000194922609 510591475 /nfs/dbraw/zinc/59/14/75/510591475.db2.gz MJBSVVJETTXNSN-LLVKDONJSA-N 1 0 366.849 2.883 10 10 FFCERO O=C(c1cccc2c1C(=O)c1ccccc1C2=O)N1CCCN(C2CC2)CC1 ZINC000175332698 510592887 /nfs/dbraw/zinc/59/28/87/510592887.db2.gz QDPRJPGCKPVBMS-UHFFFAOYSA-N 1 0 374.440 2.772 10 10 FFCERO C[N@+]12CCc3cc4c(c(O)c3[C@H]1Cc1ccc3c(c1C2)OCO3)OCO4 ZINC000504524366 717183436 /nfs/dbraw/zinc/18/34/36/717183436.db2.gz WXXDUUDJIIMROS-SPLOXXLWSA-O 1 0 354.382 2.650 10 10 FFCERO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 ZINC000702849111 734358592 /nfs/dbraw/zinc/35/85/92/734358592.db2.gz RLSKLXHRXNLBEJ-VBQJREDUSA-N 1 0 350.459 2.579 10 10 FFCERO [NH3+][C@@H]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000246264508 510395353 /nfs/dbraw/zinc/39/53/53/510395353.db2.gz LIRVAMNPXSOFLK-APHBMKBZSA-N 1 0 353.413 2.500 10 10 FFCERO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccccc1O ZINC000705674965 734360734 /nfs/dbraw/zinc/36/07/34/734360734.db2.gz YJVRXNPYHZFAPN-KMFMINBZSA-N 1 0 350.459 2.661 10 10 FFCERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(C)Cc1ccccc1O ZINC000116569639 508531743 /nfs/dbraw/zinc/53/17/43/508531743.db2.gz FLGFXMSGGCIVHL-APWZRJJASA-N 1 0 368.481 2.839 10 10 FFCERO CCOc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3cc(C)on3)CC2)c1 ZINC000123401660 508681401 /nfs/dbraw/zinc/68/14/01/508681401.db2.gz BHPDEXJARKXWKE-UHFFFAOYSA-N 1 0 359.426 2.938 10 10 FFCERO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000155719642 509058913 /nfs/dbraw/zinc/05/89/13/509058913.db2.gz ZHHGWACBEQHWHX-UHFFFAOYSA-N 1 0 354.498 2.833 10 10 FFCERO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000247008318 510796086 /nfs/dbraw/zinc/79/60/86/510796086.db2.gz KFQHCZNRBSGIRT-LVXYXVKQSA-N 1 0 356.441 2.971 10 10 FFCERO COc1cc(O)c(C[N@@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)cc1OC ZINC000160259508 508961731 /nfs/dbraw/zinc/96/17/31/508961731.db2.gz LXVBHDJRQQXOTR-OAHLLOKOSA-N 1 0 360.458 2.530 10 10 FFCERO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(N2CCOCC2)cc1 ZINC000166450078 509606046 /nfs/dbraw/zinc/60/60/46/509606046.db2.gz QIZDXJUWKXQSNF-PKOBYXMFSA-N 1 0 369.513 2.576 10 10 FFCERO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)c1O ZINC000245763776 510134835 /nfs/dbraw/zinc/13/48/35/510134835.db2.gz IZHOECUYPYFOLS-SCLBCKFNSA-N 1 0 360.429 2.709 10 10 FFCERO COc1cc(Cl)cc(C[NH+]2CCC(N3CCO[C@H](C)C3)CC2)c1O ZINC000184682268 510459093 /nfs/dbraw/zinc/45/90/93/510459093.db2.gz AQVHPEFSZZSAQM-CYBMUJFWSA-N 1 0 354.878 2.739 10 10 FFCERO O=c1[nH]ccnc1N1CCC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000583615436 519341073 /nfs/dbraw/zinc/34/10/73/519341073.db2.gz PNKFONGKPJVPJP-GOSISDBHSA-N 1 0 367.497 2.519 10 10 FFCERO O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@H]([NH+]4CCCCCC4)C3)cc2N1 ZINC000091482235 507989247 /nfs/dbraw/zinc/98/92/47/507989247.db2.gz JBHLOJAVIPPTOU-AWEZNQCLSA-N 1 0 374.441 2.771 10 10 FFCERO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2c(O)ccc3ccccc32)CC1 ZINC000151266072 508989684 /nfs/dbraw/zinc/98/96/84/508989684.db2.gz WBTJMAUXOPWOEC-UHFFFAOYSA-N 1 0 360.479 2.592 10 10 FFCERO CCOCc1cc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)ccc1OC ZINC000171734072 510337419 /nfs/dbraw/zinc/33/74/19/510337419.db2.gz QLDJONNJDSZGPW-SFHVURJKSA-N 1 0 356.470 2.780 10 10 FFCERO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000190427357 571204365 /nfs/dbraw/zinc/20/43/65/571204365.db2.gz YYRMHVYSJDKLNX-PMACEKPBSA-N 1 0 370.497 2.750 10 10 FFCERO COc1cccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1O ZINC000247967786 509204318 /nfs/dbraw/zinc/20/43/18/509204318.db2.gz FCXKVFRLCCLILQ-FUHWJXTLSA-N 1 0 355.438 2.645 10 10 FFCERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1O)CC2 ZINC000185996010 509471140 /nfs/dbraw/zinc/47/11/40/509471140.db2.gz BFNPXAUELFFAPN-PWSUYJOCSA-N 1 0 365.275 2.974 10 10 FFCERO COc1ccc(N2CC[NH+](CCCOc3cccc(CO)c3)CC2)cc1 ZINC000033905949 506366122 /nfs/dbraw/zinc/36/61/22/506366122.db2.gz MREKWADEJIYKDJ-UHFFFAOYSA-N 1 0 356.466 2.779 10 10 FFCERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C12CCOCC2 ZINC000186269000 509613408 /nfs/dbraw/zinc/61/34/08/509613408.db2.gz KKZUKNXTQLZHSE-VQTJNVASSA-N 1 0 360.498 2.587 10 10 FFCERO CCCOc1ccc(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)c(O)c1 ZINC000093454917 508145656 /nfs/dbraw/zinc/14/56/56/508145656.db2.gz MCFCJWLIONLGMA-IBGZPJMESA-N 1 0 359.470 2.860 10 10 FFCERO CCOc1cccc(C[N@H+](C)C2CCN(CCn3cccn3)CC2)c1O ZINC000121209292 509150389 /nfs/dbraw/zinc/15/03/89/509150389.db2.gz VXAMCNLCISJOFH-UHFFFAOYSA-N 1 0 358.486 2.584 10 10 FFCERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(N(C)C)cc3)C2=O)n(C)n1 ZINC000182345514 509186312 /nfs/dbraw/zinc/18/63/12/509186312.db2.gz WDOLFGMMLPRFHP-CRAIPNDOSA-N 1 0 355.486 2.641 10 10 FFCERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000178364201 510567560 /nfs/dbraw/zinc/56/75/60/510567560.db2.gz ATJJNVMMJDBJJE-JBYOLUDKSA-N 1 0 356.441 2.971 10 10 FFCERO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(N4CC=CC4)cc3)CC[C@H]21 ZINC000246861432 510715477 /nfs/dbraw/zinc/71/54/77/510715477.db2.gz LCWVAEDCBVCAMK-UYAOXDASSA-N 1 0 354.498 2.689 10 10 FFCERO C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(Br)c2[O-])CC1 ZINC000121126329 728621120 /nfs/dbraw/zinc/62/11/20/728621120.db2.gz ZIWKQRZXNKHTQX-ZDUSSCGKSA-N 1 0 371.319 2.679 10 10 FFCERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cc(Cl)ccc3O)C2=O)n(C)n1 ZINC000186327493 509648212 /nfs/dbraw/zinc/64/82/12/509648212.db2.gz NPUMCQDYEGVVAT-SWLSCSKDSA-N 1 0 362.861 2.934 10 10 FFCERO CC(=O)[C@]1(c2ccccc2)CC[NH2+]C[C@@H]1C[C@@H](O)COc1ccc(N)cc1 ZINC000255987769 509940884 /nfs/dbraw/zinc/94/08/84/509940884.db2.gz MKLNIRMPKDNQBT-DWLFOUALSA-N 1 0 368.477 2.535 10 10 FFCERO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000108795941 507918725 /nfs/dbraw/zinc/91/87/25/507918725.db2.gz DMSRPBFZFUESDA-VMPITWQZSA-N 1 0 369.509 2.623 10 10 FFCERO C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3ccc(N4CCCC4)cc3)CC[C@H]21 ZINC000247304523 510856289 /nfs/dbraw/zinc/85/62/89/510856289.db2.gz UYKCVKWIJYNRNU-AZUAARDMSA-N 1 0 356.514 2.913 10 10 FFCERO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccc(N2CCOCC2)cc1 ZINC000168112043 509644234 /nfs/dbraw/zinc/64/42/34/509644234.db2.gz AHZXDFAJYQYJCQ-SJLPKXTDSA-N 1 0 370.472 2.987 10 10 FFCERO CC(C)(C)OC(=O)NC1CC(C[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000715155669 734371157 /nfs/dbraw/zinc/37/11/57/734371157.db2.gz VROSBPWFMHIRGD-UHFFFAOYSA-N 1 0 350.415 2.514 10 10 FFCERO COc1cc(O)c(C[N@@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)cc1OC ZINC000160259635 508961798 /nfs/dbraw/zinc/96/17/98/508961798.db2.gz LXVBHDJRQQXOTR-HNNXBMFYSA-N 1 0 360.458 2.530 10 10 FFCERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(N3CCOCC3)cc1)CC2 ZINC000180634526 510024610 /nfs/dbraw/zinc/02/46/10/510024610.db2.gz JKTSNQAKDCVMKM-WMZOPIPTSA-N 1 0 369.513 2.904 10 10 FFCERO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCc3ncnn3C2)c1O ZINC000187328223 510198311 /nfs/dbraw/zinc/19/83/11/510198311.db2.gz IGQYEEVMECXHBG-CMPLNLGQSA-N 1 0 351.248 2.720 10 10 FFCERO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1O ZINC000175644424 510708798 /nfs/dbraw/zinc/70/87/98/510708798.db2.gz MTKVWRKRPIFQPV-MRXNPFEDSA-N 1 0 358.417 2.625 10 10 FFCERO COc1ccccc1CCN(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000104710351 1004755347 /nfs/dbraw/zinc/75/53/47/1004755347.db2.gz GDSPNJVVYIORPN-UHFFFAOYSA-N 1 0 355.482 2.552 10 10 FFCERO Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(SC(N)=[NH2+])c2)cc1 ZINC000004865446 207057868 /nfs/dbraw/zinc/05/78/68/207057868.db2.gz KVXOMNLGFYCLOB-UHFFFAOYSA-N 1 0 351.453 2.795 10 10 FFCERO COc1ccc(O)c(C[NH+]2CCN(Cc3cnn(C(C)(C)C)c3)CC2)c1 ZINC000180104175 509753887 /nfs/dbraw/zinc/75/38/87/509753887.db2.gz LKRITNRZFWBVNB-UHFFFAOYSA-N 1 0 358.486 2.670 10 10 FFCERO C[N@@+]12CCc3cc4c(c(O)c3[C@@H]1Cc1ccc3c(c1C2)OCO3)OCO4 ZINC000504524365 717183502 /nfs/dbraw/zinc/18/35/02/717183502.db2.gz WXXDUUDJIIMROS-QKKBWIMNSA-O 1 0 354.382 2.650 10 10 FFCERO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C2)c(C)n1-c1cccc(Br)c1 ZINC000127527063 728706584 /nfs/dbraw/zinc/70/65/84/728706584.db2.gz KDUGDKPDOQKIOD-CQSZACIVSA-N 1 0 362.271 2.948 10 10 FFCERO COc1cc(Cl)cc(C[NH+]2CCC(N3CCO[C@@H](C)C3)CC2)c1O ZINC000184682284 510459531 /nfs/dbraw/zinc/45/95/31/510459531.db2.gz AQVHPEFSZZSAQM-ZDUSSCGKSA-N 1 0 354.878 2.739 10 10 FFCERO CCCOc1ccc(C[NH+]2CCC(c3ccnn3CCO)CC2)c(O)c1 ZINC000092811323 508102350 /nfs/dbraw/zinc/10/23/50/508102350.db2.gz GGHRTCSDTVMRBI-UHFFFAOYSA-N 1 0 359.470 2.749 10 10 FFCERO CC[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1cc(Br)ccc1O ZINC000156503206 508430688 /nfs/dbraw/zinc/43/06/88/508430688.db2.gz RWKXDOZEARKYNA-WCQYABFASA-N 1 0 351.248 2.802 10 10 FFCERO COc1cc(O)c(C[N@@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)cc1OC ZINC000190487831 510161661 /nfs/dbraw/zinc/16/16/61/510161661.db2.gz IDPJARFSNKDDSO-KRWDZBQOSA-N 1 0 371.481 2.758 10 10 FFCERO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCc3ncnn3C2)c1O ZINC000187328258 510198125 /nfs/dbraw/zinc/19/81/25/510198125.db2.gz IGQYEEVMECXHBG-JQWIXIFHSA-N 1 0 351.248 2.720 10 10 FFCERO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)c1O ZINC000187328238 510198490 /nfs/dbraw/zinc/19/84/90/510198490.db2.gz IGQYEEVMECXHBG-PWSUYJOCSA-N 1 0 351.248 2.720 10 10 FFCERO Cc1nc(CN2CCC[N@H+](Cc3c([O-])ccc(Cl)c3F)CC2)no1 ZINC000191153735 510525748 /nfs/dbraw/zinc/52/57/48/510525748.db2.gz VMCOZBLUFSDWQL-UHFFFAOYSA-N 1 0 354.813 2.584 10 10 FFCERO O=C(c1cccc(O)c1O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000366178645 511883793 /nfs/dbraw/zinc/88/37/93/511883793.db2.gz HJOMKVGVNHVJRW-SJORKVTESA-N 1 0 352.434 2.977 10 10 FFCERO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C2)c(C)n1-c1ccc(Br)cc1 ZINC000127722230 728707105 /nfs/dbraw/zinc/70/71/05/728707105.db2.gz CEFXVHDUTHFIHF-CQSZACIVSA-N 1 0 362.271 2.948 10 10 FFCERO CC[C@@H]([NH2+]C[C@H]1CN(CC)CCO1)c1cc(Br)ccc1O ZINC000165903760 728974653 /nfs/dbraw/zinc/97/46/53/728974653.db2.gz JCAAJHZCTFFNLC-DZGCQCFKSA-N 1 0 357.292 2.916 10 10 FFCERO CC[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccccc1O ZINC000705674967 734360688 /nfs/dbraw/zinc/36/06/88/734360688.db2.gz YJVRXNPYHZFAPN-QRTARXTBSA-N 1 0 350.459 2.661 10 10 FFCERO CCCOc1ccc(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)c(O)c1 ZINC000093454918 508146093 /nfs/dbraw/zinc/14/60/93/508146093.db2.gz MCFCJWLIONLGMA-LJQANCHMSA-N 1 0 359.470 2.860 10 10 FFCERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(N3CCOCC3)cc1)CC2 ZINC000180634562 510026792 /nfs/dbraw/zinc/02/67/92/510026792.db2.gz JKTSNQAKDCVMKM-AEFFLSMTSA-N 1 0 369.513 2.904 10 10 FFCERO CCc1nn(C)c(Cl)c1CN1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000121698098 728636453 /nfs/dbraw/zinc/63/64/53/728636453.db2.gz QVOZJDHBBUNZBS-UHFFFAOYSA-N 1 0 362.905 2.968 10 10 FFCERO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c1 ZINC000103608543 1001007620 /nfs/dbraw/zinc/00/76/20/1001007620.db2.gz PHKUESVILAGLDT-RDJZCZTQSA-N 1 0 371.481 2.934 10 10 FFCERO COc1ccc(OC)c([C@H](C)NCC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000102696069 508282478 /nfs/dbraw/zinc/28/24/78/508282478.db2.gz WJZNPUNWEACSTI-HNNXBMFYSA-N 1 0 371.481 2.737 10 10 FFCERO COc1ccc(O)c(C[N@H+](C)C[C@@H](c2cccs2)N2CCOCC2)c1 ZINC000180114876 509760775 /nfs/dbraw/zinc/76/07/75/509760775.db2.gz KCFMLUSCFZQRNC-KRWDZBQOSA-N 1 0 362.495 2.968 10 10 FFCERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCSc1nccs1 ZINC000247385788 729597366 /nfs/dbraw/zinc/59/73/66/729597366.db2.gz IFRJHIHOFXJIKS-KGLIPLIRSA-N 1 0 354.545 2.894 10 10 FFCERO COc1ccc(O)c([C@H](C)NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c1 ZINC000103608550 1001008063 /nfs/dbraw/zinc/00/80/63/1001008063.db2.gz PHKUESVILAGLDT-DOTOQJQBSA-N 1 0 371.481 2.934 10 10 FFCERO CCc1onc(C)c1C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000106702876 1005356519 /nfs/dbraw/zinc/35/65/19/1005356519.db2.gz GVVIMQZXCKCKPB-UHFFFAOYSA-N 1 0 374.460 2.756 10 10 FFCERO CCOc1ccc(O)c(CN2CCN([C@@H](C)c3nc(CC)no3)CC2)c1 ZINC000121411510 509172583 /nfs/dbraw/zinc/17/25/83/509172583.db2.gz QGIYQXCWUQABBG-AWEZNQCLSA-N 1 0 360.458 2.615 10 10 FFCERO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1COc2ccccc21 ZINC000185607619 509262622 /nfs/dbraw/zinc/26/26/22/509262622.db2.gz XXMDVFMHYBRVDL-BEFAXECRSA-N 1 0 353.466 2.523 10 10 FFCERO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000248488014 509340136 /nfs/dbraw/zinc/34/01/36/509340136.db2.gz GNEZKYUEQVNSFT-CGTJXYLNSA-N 1 0 356.466 2.687 10 10 FFCERO COc1cccc(CNC(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)c1O ZINC000181062273 510264731 /nfs/dbraw/zinc/26/47/31/510264731.db2.gz GFVNZULVRBPDRH-HNNXBMFYSA-N 1 0 357.454 2.721 10 10 FFCERO [NH3+][C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000246264529 510395477 /nfs/dbraw/zinc/39/54/77/510395477.db2.gz LIRVAMNPXSOFLK-DAXOMENPSA-N 1 0 353.413 2.500 10 10 FFCERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(O)c1 ZINC000702849908 734358714 /nfs/dbraw/zinc/35/87/14/734358714.db2.gz WQTVQCCDFNGEHE-ZQIUZPCESA-N 1 0 350.459 2.579 10 10 FFCERO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(Br)cc1O ZINC000185025757 510642657 /nfs/dbraw/zinc/64/26/57/510642657.db2.gz SPFAXYOXVOOGLT-LLVKDONJSA-N 1 0 374.242 2.981 10 10 FFCERO CCOCC[N@@H+]1CCN(Cc2cc(Br)ccc2O)C[C@@H]1C ZINC000120862234 728616445 /nfs/dbraw/zinc/61/64/45/728616445.db2.gz MWSLRXUOOCPKEY-ZDUSSCGKSA-N 1 0 357.292 2.697 10 10 FFCERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCSc1nccs1 ZINC000247385782 729597342 /nfs/dbraw/zinc/59/73/42/729597342.db2.gz IFRJHIHOFXJIKS-KBPBESRZSA-N 1 0 354.545 2.894 10 10 FFCERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(O)c1 ZINC000702849905 734358706 /nfs/dbraw/zinc/35/87/06/734358706.db2.gz WQTVQCCDFNGEHE-GRDNDAEWSA-N 1 0 350.459 2.579 10 10 FFCERO COc1ccc(O)c([C@@H](C)NC(=O)c2ccccc2OCC[NH+](C)C)c1 ZINC000104901076 1004863080 /nfs/dbraw/zinc/86/30/80/1004863080.db2.gz MFWZRCAVKDALAD-CQSZACIVSA-N 1 0 358.438 2.832 10 10 FFCERO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1O ZINC000128379126 508585001 /nfs/dbraw/zinc/58/50/01/508585001.db2.gz FINZVYICNVZEMU-LLVKDONJSA-N 1 0 366.259 2.886 10 10 FFCERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(N(C)C)cc3)C2=O)n(C)n1 ZINC000182345493 509186425 /nfs/dbraw/zinc/18/64/25/509186425.db2.gz WDOLFGMMLPRFHP-QAPCUYQASA-N 1 0 355.486 2.641 10 10 FFCERO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1cc(Br)ccc1O ZINC000185025231 510640771 /nfs/dbraw/zinc/64/07/71/510640771.db2.gz RHHFKJUWNLRNOX-LLVKDONJSA-N 1 0 374.242 2.981 10 10 FFCERO CC(=O)[C@@]1(c2ccccc2)CC[NH2+]C[C@H]1C[C@@H](O)COc1ccc(N)cc1 ZINC000100348844 222241804 /nfs/dbraw/zinc/24/18/04/222241804.db2.gz MKLNIRMPKDNQBT-SYYKKAFVSA-N 1 0 368.477 2.535 10 10 FFCERO Cc1nc(CN2CCC[N@H+](Cc3cc4c(cc3O)OCO4)CC2)cs1 ZINC000157257830 508544037 /nfs/dbraw/zinc/54/40/37/508544037.db2.gz QPHUZTBKKKRVTN-UHFFFAOYSA-N 1 0 361.467 2.594 10 10 FFCERO C[NH+]1CCN(c2ccccc2/C=C2\OCCN(c3ccccc3)C2=O)CC1 ZINC000145660241 508846108 /nfs/dbraw/zinc/84/61/08/508846108.db2.gz XUSBNPSVRNHSOB-FXBPSFAMSA-N 1 0 363.461 2.843 10 10 FFCERO COc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1O ZINC000247967788 509204673 /nfs/dbraw/zinc/20/46/73/509204673.db2.gz FCXKVFRLCCLILQ-SJLPKXTDSA-N 1 0 355.438 2.645 10 10 FFCERO COc1cc(Cl)cc(C[NH+]2CCC(c3nc(N(C)C)no3)CC2)c1O ZINC000191908121 509241449 /nfs/dbraw/zinc/24/14/49/509241449.db2.gz CGPYMOBXVJXGGT-UHFFFAOYSA-N 1 0 366.849 2.883 10 10 FFCERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181093259 510273856 /nfs/dbraw/zinc/27/38/56/510273856.db2.gz QZDIVJKXTJZCSH-OUEBKFTGSA-N 1 0 367.449 2.533 10 10 FFCERO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1 ZINC000702849110 734358488 /nfs/dbraw/zinc/35/84/88/734358488.db2.gz RLSKLXHRXNLBEJ-JJRVBVJISA-N 1 0 350.459 2.579 10 10 FFCERO c1ccc(NC[C@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)nc1 ZINC000092812617 508102138 /nfs/dbraw/zinc/10/21/38/508102138.db2.gz QMMMENOJEDCDRS-LJQANCHMSA-N 1 0 352.482 2.852 10 10 FFCERO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000128597142 508616699 /nfs/dbraw/zinc/61/66/99/508616699.db2.gz XPVSPYBPGGFWJI-LBPRGKRZSA-N 1 0 351.248 2.658 10 10 FFCERO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)cc1 ZINC000128689059 508629177 /nfs/dbraw/zinc/62/91/77/508629177.db2.gz XXLCJUPXPHKNFX-PMACEKPBSA-N 1 0 369.513 2.681 10 10 FFCERO O=C(c1cccc(O)c1O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368593579 513015950 /nfs/dbraw/zinc/01/59/50/513015950.db2.gz PCXLFXLPYQDGAV-IRXDYDNUSA-N 1 0 352.434 2.692 10 10 FFCERO COc1ccc(O)c([C@H](C)NC(=O)c2ccccc2OCC[NH+](C)C)c1 ZINC000104901075 1004863069 /nfs/dbraw/zinc/86/30/69/1004863069.db2.gz MFWZRCAVKDALAD-AWEZNQCLSA-N 1 0 358.438 2.832 10 10 FFCERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(N3CCOCC3)cc1)CC2 ZINC000180634544 510026085 /nfs/dbraw/zinc/02/60/85/510026085.db2.gz JKTSNQAKDCVMKM-SJLPKXTDSA-N 1 0 369.513 2.904 10 10 FFCERO CN(C)c1ccc(C(c2ccc(N(C)C)cc2)=c2ccc(=C=[NH2+])cc2)cc1 ZINC000263584379 529778408 /nfs/dbraw/zinc/77/84/08/529778408.db2.gz RFVXVCCNZVBOBZ-UHFFFAOYSA-N 1 0 355.485 2.986 10 10 FFCERO CC(=O)[C@@]1(c2ccccc2)CC[NH2+]C[C@@H]1C[C@@H](O)COc1ccc(N)cc1 ZINC000100348851 222242056 /nfs/dbraw/zinc/24/20/56/222242056.db2.gz MKLNIRMPKDNQBT-CZTZKLFOSA-N 1 0 368.477 2.535 10 10 FFCERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(N(C)C)cc3)C2=O)n(C)n1 ZINC000182345475 509186079 /nfs/dbraw/zinc/18/60/79/509186079.db2.gz WDOLFGMMLPRFHP-MAUKXSAKSA-N 1 0 355.486 2.641 10 10 FFCERO Cc1cc(N2CCC[C@H]([NH2+]Cc3cc(Cl)cc(C)c3O)C2=O)n(C)n1 ZINC000182484254 509264218 /nfs/dbraw/zinc/26/42/18/509264218.db2.gz IICYDCNZUSSWQM-HNNXBMFYSA-N 1 0 362.861 2.681 10 10 FFCERO Oc1cc2c(cc1C[NH2+]C[C@H]1CN(Cc3ccccc3)CCCO1)OCO2 ZINC000192354707 509478364 /nfs/dbraw/zinc/47/83/64/509478364.db2.gz GFHTZMPNDFNYKB-SFHVURJKSA-N 1 0 370.449 2.502 10 10 FFCERO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000178364172 510567160 /nfs/dbraw/zinc/56/71/60/510567160.db2.gz ATJJNVMMJDBJJE-ZKYUUJBMSA-N 1 0 356.441 2.971 10 10 FFCERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000246871012 510720736 /nfs/dbraw/zinc/72/07/36/510720736.db2.gz FLGFXMSGGCIVHL-QFBILLFUSA-N 1 0 368.481 2.839 10 10 FFCERO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)c1O ZINC000119910418 508888552 /nfs/dbraw/zinc/88/85/52/508888552.db2.gz IZHOECUYPYFOLS-ACJLOTCBSA-N 1 0 360.429 2.709 10 10 FFCERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(N3CCOCC3)cc1)CC2 ZINC000180634503 510025105 /nfs/dbraw/zinc/02/51/05/510025105.db2.gz JKTSNQAKDCVMKM-FUHWJXTLSA-N 1 0 369.513 2.904 10 10 FFCERO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(Br)cc1O ZINC000185025740 510643074 /nfs/dbraw/zinc/64/30/74/510643074.db2.gz SPFAXYOXVOOGLT-NSHDSACASA-N 1 0 374.242 2.981 10 10 FFCERO O=c1[nH]ccnc1N1CCC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000583615437 519340979 /nfs/dbraw/zinc/34/09/79/519340979.db2.gz PNKFONGKPJVPJP-SFHVURJKSA-N 1 0 367.497 2.519 10 10 FFCERO CC[C@H]([NH2+]C[C@H]1CN(CC)CCO1)c1cc(Br)ccc1O ZINC000165903623 728974921 /nfs/dbraw/zinc/97/49/21/728974921.db2.gz JCAAJHZCTFFNLC-ZFWWWQNUSA-N 1 0 357.292 2.916 10 10 FFCERO CC[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccccc1O ZINC000705674964 734360522 /nfs/dbraw/zinc/36/05/22/734360522.db2.gz YJVRXNPYHZFAPN-JLJPHGGASA-N 1 0 350.459 2.661 10 10 FFCERO CC(=O)[C@]1(c2ccccc2)CC[NH2+]C[C@H]1C[C@@H](O)COc1ccc(N)cc1 ZINC000255987770 210217422 /nfs/dbraw/zinc/21/74/22/210217422.db2.gz MKLNIRMPKDNQBT-UZKOGDIHSA-N 1 0 368.477 2.535 10 10 FFCERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)no1 ZINC000092813952 508102352 /nfs/dbraw/zinc/10/23/52/508102352.db2.gz CAQVMTCZFDCEFR-SFHVURJKSA-N 1 0 356.470 2.669 10 10 FFCERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(Br)cc1O)CC2 ZINC000185995991 509470872 /nfs/dbraw/zinc/47/08/72/509470872.db2.gz BFNPXAUELFFAPN-ZYHUDNBSSA-N 1 0 365.275 2.974 10 10 FFCERO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1[O-] ZINC000177133257 509892226 /nfs/dbraw/zinc/89/22/26/509892226.db2.gz WXYPMRUPHVXTSH-ZDUSSCGKSA-N 1 0 368.905 2.773 10 10 FFCERO CCCOc1ccc(C[NH2+][C@@H]2CCCN(c3ccnn3CC)C2=O)c(O)c1 ZINC000191640949 510766291 /nfs/dbraw/zinc/76/62/91/510766291.db2.gz TXIFOBWGEJVLPM-QGZVFWFLSA-N 1 0 372.469 2.683 10 10 FFCERO CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cc(F)ccc1O)N[C@]2(CO)c1ccccc1 ZINC000065527664 221231682 /nfs/dbraw/zinc/23/16/82/221231682.db2.gz NJSIIIFDLWEPBO-KOUHRCEDSA-N 1 0 356.441 2.631 10 10 FFCERO Oc1cc2c(cc1C[NH2+]C[C@@H]1CN(Cc3ccccc3)CCCO1)OCO2 ZINC000192354701 509477117 /nfs/dbraw/zinc/47/71/17/509477117.db2.gz GFHTZMPNDFNYKB-GOSISDBHSA-N 1 0 370.449 2.502 10 10 FFCERO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1[O-] ZINC000177133269 509891885 /nfs/dbraw/zinc/89/18/85/509891885.db2.gz WXYPMRUPHVXTSH-CYBMUJFWSA-N 1 0 368.905 2.773 10 10 FFCERO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1cc(Br)ccc1O ZINC000185025214 510641081 /nfs/dbraw/zinc/64/10/81/510641081.db2.gz RHHFKJUWNLRNOX-NSHDSACASA-N 1 0 374.242 2.981 10 10 FFCERO CC[C@H]([NH2+]C[C@@H]1CN(CC)CCO1)c1cc(Br)ccc1O ZINC000165903364 728974832 /nfs/dbraw/zinc/97/48/32/728974832.db2.gz JCAAJHZCTFFNLC-HIFRSBDPSA-N 1 0 357.292 2.916 10 10 FFCERO Cc1nc(CN2CCC[N@H+](Cc3cc(Cl)cc(C)c3O)CC2)no1 ZINC000183395803 509759712 /nfs/dbraw/zinc/75/97/12/509759712.db2.gz QOMRPTYSWBDLSB-UHFFFAOYSA-N 1 0 350.850 2.753 10 10 FFCERO COc1cc(O)c(C[N@@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)cc1OC ZINC000190487856 510160953 /nfs/dbraw/zinc/16/09/53/510160953.db2.gz IDPJARFSNKDDSO-QGZVFWFLSA-N 1 0 371.481 2.758 10 10 FFCERO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)c1O ZINC000175651377 510713868 /nfs/dbraw/zinc/71/38/68/510713868.db2.gz HHKJSINEIIAEKC-HNNXBMFYSA-N 1 0 360.433 2.854 10 10 FFCERO COc1ccc([C@]2(O)C[N+](c3cccc(C)c3)=C3SCCN32)c(F)c1 ZINC000022405606 220385650 /nfs/dbraw/zinc/38/56/50/220385650.db2.gz XMVOSRNKUUTAJR-LJQANCHMSA-N 1 0 359.446 2.923 10 10 FFCERO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)[C@H]1COc2ccccc21 ZINC000185607658 509262502 /nfs/dbraw/zinc/26/25/02/509262502.db2.gz XXMDVFMHYBRVDL-DNVCBOLYSA-N 1 0 353.466 2.523 10 10 FFCERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(Br)ccc1O)CC2 ZINC000185994816 509469000 /nfs/dbraw/zinc/46/90/00/509469000.db2.gz RXNYJVQAFOIWFS-ZYHUDNBSSA-N 1 0 365.275 2.974 10 10 FFCERO Cc1cnn([C@H]2CCC[N@@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)c1 ZINC000171529249 510210784 /nfs/dbraw/zinc/21/07/84/510210784.db2.gz GRCULTHWXQHVGY-FQEVSTJZSA-N 1 0 369.513 2.553 10 10 FFCERO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)c1O ZINC000175651354 510713815 /nfs/dbraw/zinc/71/38/15/510713815.db2.gz HHKJSINEIIAEKC-OAHLLOKOSA-N 1 0 360.433 2.854 10 10 FFCERO CCCOc1ccc(C[NH2+][C@H]2CCCN(c3ccnn3CC)C2=O)c(O)c1 ZINC000191640966 510767185 /nfs/dbraw/zinc/76/71/85/510767185.db2.gz TXIFOBWGEJVLPM-KRWDZBQOSA-N 1 0 372.469 2.683 10 10 FFCERO COC(=O)/C=C\c1ccc(N2CCC[C@@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000588524423 966566003 /nfs/dbraw/zinc/56/60/03/966566003.db2.gz CAWHHKJYYHYELN-DZFYGRHCSA-N 1 0 359.426 2.846 10 10 FFCERO COc1cccc(C[N@H+](C)C[C@@H](c2cccs2)N2CCOCC2)c1O ZINC000121734246 508406695 /nfs/dbraw/zinc/40/66/95/508406695.db2.gz UZFILSCZANMJOR-INIZCTEOSA-N 1 0 362.495 2.968 10 10 FFCERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)CC2 ZINC000185995950 509470457 /nfs/dbraw/zinc/47/04/57/509470457.db2.gz BFNPXAUELFFAPN-CMPLNLGQSA-N 1 0 365.275 2.974 10 10 FFCERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)CC2 ZINC000185995972 509470738 /nfs/dbraw/zinc/47/07/38/509470738.db2.gz BFNPXAUELFFAPN-JQWIXIFHSA-N 1 0 365.275 2.974 10 10 FFCERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCSc1nccs1 ZINC000154583687 728807296 /nfs/dbraw/zinc/80/72/96/728807296.db2.gz IFRJHIHOFXJIKS-ZIAGYGMSSA-N 1 0 354.545 2.894 10 10 FFCERO Cn1ccnc1CC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000121774799 508415952 /nfs/dbraw/zinc/41/59/52/508415952.db2.gz DIYFKYASMXPDTG-UHFFFAOYSA-N 1 0 354.498 2.711 10 10 FFCERO CC[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cc(Br)ccc1O ZINC000156502849 508429916 /nfs/dbraw/zinc/42/99/16/508429916.db2.gz RWKXDOZEARKYNA-YPMHNXCESA-N 1 0 351.248 2.802 10 10 FFCERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(C)Cc1ccccc1O ZINC000116569641 508531414 /nfs/dbraw/zinc/53/14/14/508531414.db2.gz FLGFXMSGGCIVHL-LPHOPBHVSA-N 1 0 368.481 2.839 10 10 FFCERO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccc(N2CCC(O)CC2)cc1 ZINC000248137729 509243484 /nfs/dbraw/zinc/24/34/84/509243484.db2.gz PFLKNMYSLDVPTD-ITEAAPOESA-N 1 0 352.478 2.957 10 10 FFCERO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](C)c1ccccc1C)cc2=O ZINC000181540981 510463809 /nfs/dbraw/zinc/46/38/09/510463809.db2.gz AGYHXKIAKQQAJB-ZDUSSCGKSA-N 1 0 354.410 2.771 10 10 FFCERO COc1cc(Cl)cc(C[N@@H+]2CCCN(c3ccc(C)nn3)CC2)c1O ZINC000184689745 510464650 /nfs/dbraw/zinc/46/46/50/510464650.db2.gz ROLLALFCZDLABY-UHFFFAOYSA-N 1 0 362.861 2.865 10 10 FFCERO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCN(c3cc(C)nn3C)C2=O)cc1 ZINC000246402377 510469188 /nfs/dbraw/zinc/46/91/88/510469188.db2.gz LUEOBDJVNXBALR-YJBOKZPZSA-N 1 0 355.486 2.641 10 10 FFCERO CCOc1cccc(C[NH+]2CCC(C(=O)Nc3cc(C)on3)CC2)c1O ZINC000123393605 508680497 /nfs/dbraw/zinc/68/04/97/508680497.db2.gz ULNKCCDNMMOXFJ-UHFFFAOYSA-N 1 0 359.426 2.938 10 10 FFCERO O=S(=O)([C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1)N1CCCC1 ZINC000131332907 508918135 /nfs/dbraw/zinc/91/81/35/508918135.db2.gz KMKANNRBTYABLZ-MRXNPFEDSA-N 1 0 360.479 2.545 10 10 FFCERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cc(Cl)ccc3O)C2=O)n(C)n1 ZINC000186327476 509648580 /nfs/dbraw/zinc/64/85/80/509648580.db2.gz NPUMCQDYEGVVAT-WFASDCNBSA-N 1 0 362.861 2.934 10 10 FFCERO CC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)CC[N@@H+]1C[C@@H](C)O ZINC000177130103 729129112 /nfs/dbraw/zinc/12/91/12/729129112.db2.gz HZUSEMXSFLSFSD-MLGOLLRUSA-N 1 0 354.878 2.525 10 10 FFCERO C[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000155873324 509085479 /nfs/dbraw/zinc/08/54/79/509085479.db2.gz FNHWJSWUVHSRQC-QGZVFWFLSA-N 1 0 367.497 2.633 10 10 FFCERO COc1cccc(C[NH+]2CCN(Cc3cnn(C(C)(C)C)c3)CC2)c1O ZINC000121487018 509176585 /nfs/dbraw/zinc/17/65/85/509176585.db2.gz IOHXVGRORAHFBS-UHFFFAOYSA-N 1 0 358.486 2.670 10 10 FFCERO COc1ccc(-n2c(C)cc(-c3nc([C@H]4C[NH2+]CCN4C)no3)c2C)cc1 ZINC000263317946 510660719 /nfs/dbraw/zinc/66/07/19/510660719.db2.gz ZTOAXNQGLAULNF-GOSISDBHSA-N 1 0 367.453 2.729 10 10 FFCERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000246871040 510721152 /nfs/dbraw/zinc/72/11/52/510721152.db2.gz FLGFXMSGGCIVHL-VQIMIIECSA-N 1 0 368.481 2.839 10 10 FFCERO Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000275396850 527309707 /nfs/dbraw/zinc/30/97/07/527309707.db2.gz CEGJLQAGGFYMQM-CTNGQTDRSA-N 1 0 367.497 2.520 10 10 FFCERO CCC[NH+]1CCC(CNC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000102010505 728488730 /nfs/dbraw/zinc/48/87/30/728488730.db2.gz SRIWYFNXTRDSDT-UHFFFAOYSA-N 1 0 350.482 2.813 10 10 FFCERO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H](C)C(C)C)cc2F)CC1 ZINC000106516391 728511302 /nfs/dbraw/zinc/51/13/02/728511302.db2.gz GNSHAVQAZDOCDR-OAHLLOKOSA-N 1 0 350.482 2.811 10 10 FFCERO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C2)c(C)n1-c1ccccc1Br ZINC000127081950 728705432 /nfs/dbraw/zinc/70/54/32/728705432.db2.gz XPNSMYBKUCNAST-CYBMUJFWSA-N 1 0 362.271 2.948 10 10 FFCERO COc1ccc([C@@]2(O)C[N+](c3cccc(C)c3)=C3SCCN32)c(F)c1 ZINC000022405603 220385873 /nfs/dbraw/zinc/38/58/73/220385873.db2.gz XMVOSRNKUUTAJR-IBGZPJMESA-N 1 0 359.446 2.923 10 10 FFCERO CN1CCCc2cc(CNC(=O)N3CCC([NH+]4CCCC4)CC3)ccc21 ZINC000057661636 507301492 /nfs/dbraw/zinc/30/14/92/507301492.db2.gz HHEOJCFUHXTXEF-UHFFFAOYSA-N 1 0 356.514 2.839 10 10 FFCERO COc1cc(Cl)cc(C[NH+]2CCC(c3ccnn3CCO)CC2)c1O ZINC000184686810 510463263 /nfs/dbraw/zinc/46/32/63/510463263.db2.gz IDVRCWIUEHLIGE-UHFFFAOYSA-N 1 0 365.861 2.623 10 10 FFCERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)c1ccc(N2CCC(O)CC2)cc1 ZINC000178352659 510560644 /nfs/dbraw/zinc/56/06/44/510560644.db2.gz PFLKNMYSLDVPTD-RXYZOABWSA-N 1 0 352.478 2.957 10 10 FFCERO CC(=O)N1CC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)c2ccc(F)cc2C1 ZINC000185351698 510817943 /nfs/dbraw/zinc/81/79/43/510817943.db2.gz XZKVFTGEMNGOLC-QGZVFWFLSA-N 1 0 372.396 2.843 10 10 FFCERO CCCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)c(O)c1 ZINC000247284099 510855464 /nfs/dbraw/zinc/85/54/64/510855464.db2.gz YTEGJCPJWAKSSH-QFBILLFUSA-N 1 0 359.470 2.860 10 10 FFCERO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(N4CCCC4)cc3)CC[C@H]21 ZINC000247304531 510856235 /nfs/dbraw/zinc/85/62/35/510856235.db2.gz UYKCVKWIJYNRNU-UYAOXDASSA-N 1 0 356.514 2.913 10 10 FFCERO