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](O)c1cccc(N2CCC([NH+]3CCC(O)CC3)CC2)n1 ZINC000095496916 185374272 /nfs/dbraw/zinc/37/42/72/185374272.db2.gz GADYTIIWFUHDNH-CYBMUJFWSA-N 1 0 305.422 1.560 10 0 DDAERO Cc1nc(CN2CCN(c3cc(CC[NH3+])ncn3)CC2)cs1 ZINC000095498023 185374537 /nfs/dbraw/zinc/37/45/37/185374537.db2.gz OWOIUUHMVZMYNE-UHFFFAOYSA-N 1 0 318.450 1.065 10 0 DDAERO CC[NH2+][C@@H]1CCC2(C[C@H]1Sc1nccc(=O)[nH]1)OCCO2 ZINC000081774308 192322357 /nfs/dbraw/zinc/32/23/57/192322357.db2.gz WZNREXPORFONMU-GHMZBOCLSA-N 1 0 311.407 1.548 10 0 DDAERO COc1ccc(F)c(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000181231093 199269242 /nfs/dbraw/zinc/26/92/42/199269242.db2.gz IXKZIDOAQRVFCO-GFCCVEGCSA-N 1 0 311.357 1.629 10 0 DDAERO C[C@@H](CS(C)(=O)=O)[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000081902320 192336648 /nfs/dbraw/zinc/33/66/48/192336648.db2.gz CGACJPDMOGWLAJ-HOCLYGCPSA-N 1 0 310.463 1.326 10 0 DDAERO [NH3+]CCSCC(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000096756280 185386383 /nfs/dbraw/zinc/38/63/83/185386383.db2.gz YZQIHBJECRROBF-QPJJXVBHSA-N 1 0 319.474 1.536 10 0 DDAERO CCOC(=O)c1cc(C)sc1NC(=O)CSCC[NH3+] ZINC000096757467 185386434 /nfs/dbraw/zinc/38/64/34/185386434.db2.gz PHXVAQMGJHCUMB-UHFFFAOYSA-N 1 0 302.421 1.864 10 0 DDAERO C[NH+](C)C[C@@H]1CN(CCOCC(F)(F)C(F)F)CCO1 ZINC000189222593 282127733 /nfs/dbraw/zinc/12/77/33/282127733.db2.gz FUMXRDKWPUKOFX-SNVBAGLBSA-N 1 0 302.312 1.166 10 0 DDAERO CN(C)[C@@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000116787415 282138326 /nfs/dbraw/zinc/13/83/26/282138326.db2.gz QBCQFWYEVOMQKG-JKSUJKDBSA-N 1 0 305.422 1.078 10 0 DDAERO Cc1cccc2nc(C[N@H+](C)C[C@H]3CCC[C@@H]3O)cc(=O)n12 ZINC000305369863 231004966 /nfs/dbraw/zinc/00/49/66/231004966.db2.gz XBGSUDAUESECQB-HIFRSBDPSA-N 1 0 301.390 1.596 10 0 DDAERO CCOCCOC1CCN(C(=O)CC[C@@H](C)CC[NH3+])CC1 ZINC000079118582 185159443 /nfs/dbraw/zinc/15/94/43/185159443.db2.gz KQQFRJZPTKZQKH-CQSZACIVSA-N 1 0 300.443 1.796 10 0 DDAERO O=C(CSc1ncccc1Br)N1CC[NH2+]CC1 ZINC000079446491 185172149 /nfs/dbraw/zinc/17/21/49/185172149.db2.gz FGKWAMQLMREYCA-UHFFFAOYSA-N 1 0 316.224 1.368 10 0 DDAERO C[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)S(=O)(=O)CCOC ZINC000081944926 192345523 /nfs/dbraw/zinc/34/55/23/192345523.db2.gz OMZBAUSXXXAAKM-FZMZJTMJSA-N 1 0 301.408 1.405 10 0 DDAERO C[NH+]1CCC(N2CCN(C(=O)NC3CCCCC3)CC2)CC1 ZINC000082358422 185177785 /nfs/dbraw/zinc/17/77/85/185177785.db2.gz QQFZYHYMVSDALX-UHFFFAOYSA-N 1 0 308.470 1.741 10 0 DDAERO O=C1CC[C@@H]([NH2+]Cc2ccc(I)o2)CN1 ZINC000082515434 185189281 /nfs/dbraw/zinc/18/92/81/185189281.db2.gz UCPCLSCHJCKPBC-SSDOTTSWSA-N 1 0 320.130 1.252 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC000249551312 282171312 /nfs/dbraw/zinc/17/13/12/282171312.db2.gz IBCYLRHOCUMZHF-UONOGXRCSA-N 1 0 311.470 1.870 10 0 DDAERO [NH3+][C@@H](Cc1sccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000083185042 185216861 /nfs/dbraw/zinc/21/68/61/185216861.db2.gz TWURTCYKNCJFOM-CBAPKCEASA-N 1 0 324.265 1.815 10 0 DDAERO COc1cc(C)c(S(=O)(=O)N[C@H](C[NH3+])C(C)C)cc1OC ZINC000087404560 185223774 /nfs/dbraw/zinc/22/37/74/185223774.db2.gz LFANSFXKTHQYCA-LLVKDONJSA-N 1 0 316.423 1.274 10 0 DDAERO CC(C)[C@H](C[NH3+])C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000087517849 185227479 /nfs/dbraw/zinc/22/74/79/185227479.db2.gz LVNGQNLWQCJVSE-JTQLQIEISA-N 1 0 318.826 1.913 10 0 DDAERO Cc1nnc(SCc2cn3cccc(C)c3n2)n1CC[NH3+] ZINC000087715171 185230986 /nfs/dbraw/zinc/23/09/86/185230986.db2.gz GNNLSVBVDRQCIA-UHFFFAOYSA-N 1 0 302.407 1.794 10 0 DDAERO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(Br)ccc1C ZINC000087744003 185231239 /nfs/dbraw/zinc/23/12/39/185231239.db2.gz MHSVGXQQDZWGBO-RYUDHWBXSA-N 1 0 313.195 1.474 10 0 DDAERO COC(=O)CS(=O)(=O)C[C@@H]([NH3+])c1cccc2ccccc21 ZINC000081976322 192347664 /nfs/dbraw/zinc/34/76/64/192347664.db2.gz YATMHHKIHZKEPL-CQSZACIVSA-N 1 0 307.371 1.427 10 0 DDAERO CCC(C)(C)[C@H]1CC[C@H]([NH2+]C)[C@H](S(=O)(=O)CC(=O)OC)C1 ZINC000081976517 192347908 /nfs/dbraw/zinc/34/79/08/192347908.db2.gz OJPZWNRPIUWJMJ-RWMBFGLXSA-N 1 0 319.467 1.767 10 0 DDAERO O=S(=O)(NCc1ccccc1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000088056768 185238135 /nfs/dbraw/zinc/23/81/35/185238135.db2.gz OBHOIBAUBCOLHA-JTQLQIEISA-N 1 0 308.325 1.487 10 0 DDAERO C[C@@H](NS(=O)(=O)[C@@H]1CC[NH2+]C1)C12CC3CC(CC(C3)C1)C2 ZINC000088056070 185238241 /nfs/dbraw/zinc/23/82/41/185238241.db2.gz YPHSNTUJIDWHPK-QCJFITJRSA-N 1 0 312.479 1.873 10 0 DDAERO NNc1nc(OCCN2CCCCC2)c(Br)c[nH+]1 ZINC000087885309 185234305 /nfs/dbraw/zinc/23/43/05/185234305.db2.gz JZAKSMOSNOPFFQ-UHFFFAOYSA-N 1 0 316.203 1.389 10 0 DDAERO CC(C)NS(=O)(=O)c1ccc(N2CC[NH2+]CC2(C)C)cc1 ZINC000088147168 185240597 /nfs/dbraw/zinc/24/05/97/185240597.db2.gz JNJJNMWAOTXBAY-UHFFFAOYSA-N 1 0 311.451 1.562 10 0 DDAERO C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)S(=O)(=O)CCC(=O)OC ZINC000081975160 192348171 /nfs/dbraw/zinc/34/81/71/192348171.db2.gz XYWCFCBZTMBGPZ-IUODEOHRSA-N 1 0 313.419 1.622 10 0 DDAERO CCCNC(=O)CN(C)C(=O)C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000181347286 539237805 /nfs/dbraw/zinc/23/78/05/539237805.db2.gz MDSSCGJQCURKGN-ZDUSSCGKSA-N 1 0 323.412 1.769 10 0 DDAERO [NH3+]CCS(=O)(=O)Nc1ccc(Cl)cc1Br ZINC000088122451 185240145 /nfs/dbraw/zinc/24/01/45/185240145.db2.gz OCIJNCSIZREJQD-UHFFFAOYSA-N 1 0 313.604 1.803 10 0 DDAERO CC(C)Cc1nnc(NC(=O)C[NH2+][C@H](C)[C@H]2CCCO2)s1 ZINC000183130860 539240939 /nfs/dbraw/zinc/24/09/39/539240939.db2.gz AEGJGQPFBSRVFR-GHMZBOCLSA-N 1 0 312.439 1.832 10 0 DDAERO O=C(c1ncc(Br)s1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000192417931 539259522 /nfs/dbraw/zinc/25/95/22/539259522.db2.gz SFIHKQPDGYMWOP-QMMMGPOBSA-N 1 0 316.224 1.826 10 0 DDAERO CC[C@@H](CC[NH3+])N1CCCN(C(=O)CCC(F)(F)F)CC1 ZINC000088832355 185266628 /nfs/dbraw/zinc/26/66/28/185266628.db2.gz YPNDJJZDQYCFMK-LBPRGKRZSA-N 1 0 309.376 1.991 10 0 DDAERO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1C=CS(=O)(=O)C1 ZINC000088853412 185266760 /nfs/dbraw/zinc/26/67/60/185266760.db2.gz BWVHTSXIRDGPHZ-YPMHNXCESA-N 1 0 309.387 1.637 10 0 DDAERO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1C=CS(=O)(=O)C1 ZINC000088853417 185266859 /nfs/dbraw/zinc/26/68/59/185266859.db2.gz BWVHTSXIRDGPHZ-DGCLKSJQSA-N 1 0 309.387 1.637 10 0 DDAERO CS(=O)(=O)c1ccc(S(=O)(=O)CCC[NH2+]C2CC2)cc1 ZINC000081990761 192350399 /nfs/dbraw/zinc/35/03/99/192350399.db2.gz QOQZQYWKPSPBAD-UHFFFAOYSA-N 1 0 317.432 1.006 10 0 DDAERO CCN(C(=O)c1ccc(OC)c(Br)c1)C1C[NH2+]C1 ZINC000090291036 185289571 /nfs/dbraw/zinc/28/95/71/185289571.db2.gz OOEANJNGGNLNNO-UHFFFAOYSA-N 1 0 313.195 1.892 10 0 DDAERO c1cc(-c2nc(CN3CCN(C4C[NH2+]C4)CC3)cs2)cs1 ZINC000090307476 185290281 /nfs/dbraw/zinc/29/02/81/185290281.db2.gz OYBRVBSNHQLVDL-UHFFFAOYSA-N 1 0 320.487 1.961 10 0 DDAERO O=S(=O)(c1cc(Cl)ccc1Cl)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090322015 185291017 /nfs/dbraw/zinc/29/10/17/185291017.db2.gz IUWOWPYINMWEQE-IUCAKERBSA-N 1 0 321.229 1.833 10 0 DDAERO CCCS(=O)(=O)c1ccccc1N1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C ZINC000090328443 185291404 /nfs/dbraw/zinc/29/14/04/185291404.db2.gz ZPIXZDXYWGNGQD-MELADBBJSA-N 1 0 308.447 1.914 10 0 DDAERO CC[NH2+][C@H]1COC[C@H]1C(=O)Nc1cc(Cl)ccc1N(C)C ZINC000090489465 185298821 /nfs/dbraw/zinc/29/88/21/185298821.db2.gz FVIXECVRRKFHIC-YPMHNXCESA-N 1 0 311.813 1.969 10 0 DDAERO COc1ccc(OC(F)F)c(NC(=O)[C@H]2COC[C@@H]2[NH3+])c1 ZINC000090380371 185293462 /nfs/dbraw/zinc/29/34/62/185293462.db2.gz AYACOCIBZCRQOT-IUCAKERBSA-N 1 0 302.277 1.209 10 0 DDAERO COc1cc(OC)c(NC(=O)[C@@H]2COC[C@H]2[NH3+])cc1Cl ZINC000090378670 185293609 /nfs/dbraw/zinc/29/36/09/185293609.db2.gz UJGICPBBRDYRLI-VXNVDRBHSA-N 1 0 300.742 1.269 10 0 DDAERO [NH3+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000090380135 185293631 /nfs/dbraw/zinc/29/36/31/185293631.db2.gz FGWXAVOMMTUMPB-WDEREUQCSA-N 1 0 304.268 1.540 10 0 DDAERO C[C@H](NC(=O)[C@H]1COC[C@@H]1[NH3+])c1cccc(C(F)(F)F)c1 ZINC000090380730 185293661 /nfs/dbraw/zinc/29/36/61/185293661.db2.gz QHNBLLNGIOUJOD-UWJYBYFXSA-N 1 0 302.296 1.856 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000090431505 185295851 /nfs/dbraw/zinc/29/58/51/185295851.db2.gz PLCPVDHHPPOCSZ-KWQFWETISA-N 1 0 314.769 1.530 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000090434213 185296145 /nfs/dbraw/zinc/29/61/45/185296145.db2.gz FLZRUJDTLYACFF-PSASIEDQSA-N 1 0 304.268 1.600 10 0 DDAERO C[C@]1(C(=O)NCc2cccc(C(F)(F)F)c2)COC[C@@H]1[NH3+] ZINC000090580458 185305003 /nfs/dbraw/zinc/30/50/03/185305003.db2.gz FNAPHEZLISDPOI-AAEUAGOBSA-N 1 0 302.296 1.685 10 0 DDAERO C[C@]1(C(=O)NCc2ccccc2C(F)(F)F)COC[C@H]1[NH3+] ZINC000090603536 185306128 /nfs/dbraw/zinc/30/61/28/185306128.db2.gz NUDPMBGFBOMGGE-YPMHNXCESA-N 1 0 302.296 1.685 10 0 DDAERO C[C@@H]1CN(c2ncncc2I)CCN1C ZINC000090782330 185311777 /nfs/dbraw/zinc/31/17/77/185311777.db2.gz QIPWRDINPUCKDE-MRVPVSSYSA-N 1 0 318.162 1.222 10 0 DDAERO COCCCS(=O)(=O)[C@@H]1CCc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092388719 185315418 /nfs/dbraw/zinc/31/54/18/185315418.db2.gz OGODUDMNASTJDS-CABCVRRESA-N 1 0 313.419 1.461 10 0 DDAERO C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000092604423 185328720 /nfs/dbraw/zinc/32/87/20/185328720.db2.gz RTWAGFALGUZSOL-BBRMVZONSA-N 1 0 315.417 1.788 10 0 DDAERO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(F)cc1N ZINC000092622130 185329815 /nfs/dbraw/zinc/32/98/15/185329815.db2.gz LKPQLTBDRSJGLM-NSHDSACASA-N 1 0 301.387 1.123 10 0 DDAERO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(Cl)ccc1N ZINC000092622351 185329990 /nfs/dbraw/zinc/32/99/90/185329990.db2.gz FJJIAVKXABWQDB-NSHDSACASA-N 1 0 317.842 1.637 10 0 DDAERO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccnc(Cl)c1 ZINC000092627674 185330310 /nfs/dbraw/zinc/33/03/10/185330310.db2.gz WPBARZHREPMAHH-SNVBAGLBSA-N 1 0 303.815 1.450 10 0 DDAERO O=C(CCc1c[nH]c2ccccc12)NCc1cc2n(n1)CC[NH2+]C2 ZINC000082136919 192360343 /nfs/dbraw/zinc/36/03/43/192360343.db2.gz ACOZZIUECFSMHW-UHFFFAOYSA-N 1 0 323.400 1.717 10 0 DDAERO C[NH+](C)C1CCN(c2cc3c(cc2Cl)[C@@H](O)C(=O)N3)CC1 ZINC000092771089 185339599 /nfs/dbraw/zinc/33/95/99/185339599.db2.gz JTQVFMSMQPIJOO-CQSZACIVSA-N 1 0 309.797 1.856 10 0 DDAERO CCn1cnc(S(=O)(=O)NC2(C(N)=[NH2+])CCC(C)CC2)c1 ZINC000092910977 185348505 /nfs/dbraw/zinc/34/85/05/185348505.db2.gz WXGNZRBUOPZMIZ-UHFFFAOYSA-N 1 0 313.427 1.066 10 0 DDAERO CCn1cnc(S(=O)(=O)N[C@@H](C(N)=[NH2+])C2CCCCC2)c1 ZINC000092910976 185348586 /nfs/dbraw/zinc/34/85/86/185348586.db2.gz OXDFQSKUONSXPT-GFCCVEGCSA-N 1 0 313.427 1.066 10 0 DDAERO C[N@@H+](Cc1ccc2ccccc2n1)C[C@@H](O)CN1CCOCC1 ZINC000083245505 192369100 /nfs/dbraw/zinc/36/91/00/192369100.db2.gz FLCSXUQGMNHPQQ-QGZVFWFLSA-N 1 0 315.417 1.360 10 0 DDAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000111265838 185567597 /nfs/dbraw/zinc/56/75/97/185567597.db2.gz NEEZUXCWWWZIOU-CABZTGNLSA-N 1 0 309.797 1.836 10 0 DDAERO CN(C)S(=O)(=O)c1ccc(N2CCC[C@H]2CCC[NH3+])cc1 ZINC000111379957 185590824 /nfs/dbraw/zinc/59/08/24/185590824.db2.gz HLPGVXRCEHSBGZ-CYBMUJFWSA-N 1 0 311.451 1.645 10 0 DDAERO CC[NH2+][C@H](C)[C@@H]1CCCCN1S(=O)(=O)c1c[nH]nc1C ZINC000111715301 185629519 /nfs/dbraw/zinc/62/95/19/185629519.db2.gz PRVSBDIBWIBNBW-PWSUYJOCSA-N 1 0 300.428 1.259 10 0 DDAERO CC(C)C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cnn(C)c1 ZINC000111721212 185632012 /nfs/dbraw/zinc/63/20/12/185632012.db2.gz DXYKDKIAHIZHKL-ZDUSSCGKSA-N 1 0 314.455 1.209 10 0 DDAERO CCC[C@@H](C(=O)NC[C@@H](O)COc1cccc(C)c1)[NH+](C)C ZINC000119207919 185707601 /nfs/dbraw/zinc/70/76/01/185707601.db2.gz RRPBKIWGMSBDOM-ZBFHGGJFSA-N 1 0 308.422 1.581 10 0 DDAERO CC(C)(C)OC(=O)NCCN1CC[NH2+][C@@H](c2ccccn2)C1 ZINC000616656957 362771753 /nfs/dbraw/zinc/77/17/53/362771753.db2.gz WATSFMWLEQNAHD-CQSZACIVSA-N 1 0 306.410 1.553 10 0 DDAERO CC(C)N(CC(F)(F)F)C[C@@]([NH2+]C1CC1)(C(N)=O)C1CC1 ZINC000069100915 190799017 /nfs/dbraw/zinc/79/90/17/190799017.db2.gz PYKPFADXULRQSG-ZDUSSCGKSA-N 1 0 307.360 1.645 10 0 DDAERO CC(C)(C)OC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C[NH3+])C2)C1 ZINC000725270410 539570457 /nfs/dbraw/zinc/57/04/57/539570457.db2.gz MICOFRRTIVFDLT-IQLKVPPVSA-N 1 0 318.439 1.196 10 0 DDAERO Cc1ccccc1C(=O)N[C@@H](C(=O)NC[C@@H](C)C[NH3+])C(C)C ZINC000236688167 201965082 /nfs/dbraw/zinc/96/50/82/201965082.db2.gz IJVJYEZINUCWME-SWLSCSKDSA-N 1 0 305.422 1.460 10 0 DDAERO COc1ccc(C)cc1S(=O)(=O)N1C[C@@H](C[NH3+])CC[C@@H]1C ZINC000070180990 190868820 /nfs/dbraw/zinc/86/88/20/190868820.db2.gz AONAEGFLZSHWPR-QWHCGFSZSA-N 1 0 312.435 1.752 10 0 DDAERO Cc1csc2nc(CN3[C@@H](C[NH3+])CCC[C@@H]3C)cc(=O)n12 ZINC000070154853 190863152 /nfs/dbraw/zinc/86/31/52/190863152.db2.gz OTKIDWLUCYDQSH-GXFFZTMASA-N 1 0 306.435 1.766 10 0 DDAERO CC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)CCO1 ZINC000070349879 190881766 /nfs/dbraw/zinc/88/17/66/190881766.db2.gz DCJPAPZLUBQGTK-UBHSHLNASA-N 1 0 312.435 1.942 10 0 DDAERO C[NH2+]C[C@@H]1CCN(c2ccc(S(=O)(=O)NC(C)C)cc2)C1 ZINC000071148277 190936924 /nfs/dbraw/zinc/93/69/24/190936924.db2.gz JWFNFUMDIBXUEG-ZDUSSCGKSA-N 1 0 311.451 1.419 10 0 DDAERO COCCN(CCC[NH3+])S(=O)(=O)c1ccc(C)c(C)c1 ZINC000071223232 190945737 /nfs/dbraw/zinc/94/57/37/190945737.db2.gz YLAYVIUSQGPPAE-UHFFFAOYSA-N 1 0 300.424 1.289 10 0 DDAERO CC(C)[C@@H](CC[NH3+])CCC(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000083718517 192379465 /nfs/dbraw/zinc/37/94/65/192379465.db2.gz IWZMSTWFIQJDHU-TZMCWYRMSA-N 1 0 304.456 1.081 10 0 DDAERO C[C@@H]([NH3+])[C@H](N1CCn2c(nnc2C(F)(F)F)C1)C(C)(C)C ZINC000083920692 192390959 /nfs/dbraw/zinc/39/09/59/192390959.db2.gz FRRMCQMYTILWBS-SCZZXKLOSA-N 1 0 305.348 1.874 10 0 DDAERO CCOC(=O)CCN(CC[NH+](C)C)C(=O)c1cccc(C)c1 ZINC000071607497 190993068 /nfs/dbraw/zinc/99/30/68/190993068.db2.gz CCBGATWHXPPQTM-UHFFFAOYSA-N 1 0 306.406 1.952 10 0 DDAERO COCCNC(=O)Cc1csc(-c2cccc(C[NH3+])c2)n1 ZINC000071685165 191008384 /nfs/dbraw/zinc/00/83/84/191008384.db2.gz FSKYXDGOAVHVIW-UHFFFAOYSA-N 1 0 305.403 1.574 10 0 DDAERO [NH3+]CCCc1nc(CC(=O)Nc2ccc3c(c2)OCO3)cs1 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UBPDJNPWBYCNEF-SLTAFYQDSA-N 1 0 301.427 1.876 10 0 DDAERO CCC[NH2+]CCNC(=O)c1ccccc1OC[C@@H]1CCCO1 ZINC000236829368 202030357 /nfs/dbraw/zinc/03/03/57/202030357.db2.gz MUOZVFVQBCFKJX-AWEZNQCLSA-N 1 0 306.406 1.974 10 0 DDAERO CC(C)C[C@H]1C[NH2+][C@@](C)(C2CC2)CN1CCCS(C)(=O)=O ZINC000085513153 192514643 /nfs/dbraw/zinc/51/46/43/192514643.db2.gz XJVQLSOQICDTNC-JKSUJKDBSA-N 1 0 316.511 1.910 10 0 DDAERO CCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1 ZINC000236954523 202091622 /nfs/dbraw/zinc/09/16/22/202091622.db2.gz QZTNHJIULICCKD-ZIAGYGMSSA-N 1 0 309.410 1.205 10 0 DDAERO CCC[C@@H]([NH3+])C(=O)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000236970020 202102021 /nfs/dbraw/zinc/10/20/21/202102021.db2.gz TXRFVKYXKDYKHN-MRXNPFEDSA-N 1 0 313.401 1.640 10 0 DDAERO C[C@H](C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)N1CCOCC1 ZINC000177731001 198767062 /nfs/dbraw/zinc/76/70/62/198767062.db2.gz JYWPFBIGSNRHAX-YPENRWOSSA-N 1 0 310.463 1.795 10 0 DDAERO CCS(=O)(=O)CCCOc1c(OC)cc(C[NH3+])cc1OC ZINC000086972913 192603860 /nfs/dbraw/zinc/60/38/60/192603860.db2.gz GIKTYEBNNIFPFD-UHFFFAOYSA-N 1 0 317.407 1.366 10 0 DDAERO Cc1nn(CC[NH3+])c(C)c1S(=O)(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000088926126 192659082 /nfs/dbraw/zinc/65/90/82/192659082.db2.gz WHVWBQVVFLVLJU-QWRGUYRKSA-N 1 0 314.455 1.410 10 0 DDAERO CC[NH2+]CCOc1ccc(S(=O)(=O)N2CCC[C@H]2C)cc1 ZINC000088972597 192675663 /nfs/dbraw/zinc/67/56/63/192675663.db2.gz FNTMFCCWZDRKIE-CYBMUJFWSA-N 1 0 312.435 1.848 10 0 DDAERO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc2c(c1)NC(=O)CCS2 ZINC000178949590 198959160 /nfs/dbraw/zinc/95/91/60/198959160.db2.gz JZYVZTMNBRNZKT-NSHDSACASA-N 1 0 319.430 1.850 10 0 DDAERO Cn1cc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c(-c2ccncc2)n1 ZINC000179470115 199041660 /nfs/dbraw/zinc/04/16/60/199041660.db2.gz YHOMNVGHWGLWLP-INIZCTEOSA-N 1 0 323.404 1.911 10 0 DDAERO CC[C@@H](C(=O)NC[C@H]1CN(C)CCO1)c1ccc(OC)cc1 ZINC000180106892 199117952 /nfs/dbraw/zinc/11/79/52/199117952.db2.gz AFZCUCMMNRXILH-JKSUJKDBSA-N 1 0 306.406 1.636 10 0 DDAERO COCc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 ZINC000180228497 199133373 /nfs/dbraw/zinc/13/33/73/199133373.db2.gz LFOGODUBHFGRKY-QAPCUYQASA-N 1 0 304.434 1.986 10 0 DDAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc2c(c1)OCCO2 ZINC000180595368 199181633 /nfs/dbraw/zinc/18/16/33/199181633.db2.gz APESIOPSTZXTEJ-YPMHNXCESA-N 1 0 300.362 1.715 10 0 DDAERO Cc1cc(C)c(S(=O)(=O)N2CCSC[C@H]2C)cc1C[NH3+] ZINC000089039570 192713718 /nfs/dbraw/zinc/71/37/18/192713718.db2.gz JGKJUNKUPXATPW-GFCCVEGCSA-N 1 0 314.476 1.888 10 0 DDAERO COc1ccc(S(=O)(=O)N2CCCC2(C)C)c(CC[NH3+])c1 ZINC000089034847 192710799 /nfs/dbraw/zinc/71/07/99/192710799.db2.gz GRTCKFFPXOHTOY-UHFFFAOYSA-N 1 0 312.435 1.760 10 0 DDAERO Cc1nn(C)c(CN2CC[NH2+]C[C@H]2C(C)C)c1Br ZINC000089270220 192753151 /nfs/dbraw/zinc/75/31/51/192753151.db2.gz UJQXEEGACDXLNQ-NSHDSACASA-N 1 0 315.259 1.921 10 0 DDAERO Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000237679143 202327438 /nfs/dbraw/zinc/32/74/38/202327438.db2.gz GWDYESMONQWOFN-SJORKVTESA-N 1 0 301.434 1.510 10 0 DDAERO CCn1ncnc1CN1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000193354313 201037347 /nfs/dbraw/zinc/03/73/47/201037347.db2.gz GQRPDLZXNQGWDA-CQSZACIVSA-N 1 0 300.410 1.935 10 0 DDAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cncn1-c1ccc(F)cc1 ZINC000193592412 201081600 /nfs/dbraw/zinc/08/16/00/201081600.db2.gz INRHEBZJEGAGCD-RISCZKNCSA-N 1 0 302.353 1.882 10 0 DDAERO CCN(CC)C(=O)CN1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195282162 201373714 /nfs/dbraw/zinc/37/37/14/201373714.db2.gz RFTWPGLPSAOTGR-QGZVFWFLSA-N 1 0 318.465 1.704 10 0 DDAERO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CC[C@@H]2CCOC2=O)C1 ZINC000195299823 201375976 /nfs/dbraw/zinc/37/59/76/201375976.db2.gz UMEGORBKGBFCIQ-DLBZAZTESA-N 1 0 317.433 1.789 10 0 DDAERO CNC(=O)C[C@H](C[NH3+])N(C)Cc1cc(Br)cs1 ZINC000091315264 193038176 /nfs/dbraw/zinc/03/81/76/193038176.db2.gz JGOQGKRYAFRHMW-SECBINFHSA-N 1 0 320.256 1.406 10 0 DDAERO CCc1nn(C)c(C[C@H](O)C[NH2+]C2CC2)c1Br ZINC000091465542 193059416 /nfs/dbraw/zinc/05/94/16/193059416.db2.gz OMUDTIYLTIXIFB-VIFPVBQESA-N 1 0 302.216 1.400 10 0 DDAERO COCC[C@@H]([NH3+])C(=O)Nc1ccc(Br)c(C)n1 ZINC000091507006 193065879 /nfs/dbraw/zinc/06/58/79/193065879.db2.gz ZQHDCMJXYFMOFY-SECBINFHSA-N 1 0 302.172 1.455 10 0 DDAERO CCn1nc(C)c(Cl)c1C[C@H]([NH3+])[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091720613 193097379 /nfs/dbraw/zinc/09/73/79/193097379.db2.gz KOXYKFTVENCANA-DYEKYZERSA-N 1 0 312.845 1.598 10 0 DDAERO Brc1cn2c(C[NH2+]C[C@@H]3CCOC3)cnc2cn1 ZINC000092049540 193148773 /nfs/dbraw/zinc/14/87/73/193148773.db2.gz FNOSTXHKDWAKAV-VIFPVBQESA-N 1 0 311.183 1.618 10 0 DDAERO CC(C)[NH2+]CCn1cc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)cn1 ZINC000092113618 193161901 /nfs/dbraw/zinc/16/19/01/193161901.db2.gz HLMKPJAWVUPARM-STQMWFEESA-N 1 0 314.455 1.158 10 0 DDAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2cc(-n3cnnn3)ccc2Cl)C1 ZINC000092203042 193173206 /nfs/dbraw/zinc/17/32/06/193173206.db2.gz CNOQVUNCCSEQMJ-RKDXNWHRSA-N 1 0 304.741 1.158 10 0 DDAERO C[C@@H](C(N)=S)[NH+]1CCN(C[C@@H]2Cc3ccccc3S2)CC1 ZINC000092261123 193182273 /nfs/dbraw/zinc/18/22/73/193182273.db2.gz BCDUNGFLPBQDJN-JSGCOSHPSA-N 1 0 321.515 1.996 10 0 DDAERO [NH3+]C[C@H]1CC[C@@H](C(=O)N(CCc2cccc(F)c2)C2CC2)O1 ZINC000261615613 203080348 /nfs/dbraw/zinc/08/03/48/203080348.db2.gz BRGPHFHTHOEAJM-CVEARBPZSA-N 1 0 306.381 1.866 10 0 DDAERO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000262008225 203172961 /nfs/dbraw/zinc/17/29/61/203172961.db2.gz NXJBHEHNQONAAO-DQQCEIDSSA-N 1 0 324.446 1.450 10 0 DDAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc([C@H]4CCOC4)c3)C[C@H]12 ZINC000262351160 203271150 /nfs/dbraw/zinc/27/11/50/203271150.db2.gz FUJCBUIMTCJWKF-LTIDMASMSA-N 1 0 300.402 2.000 10 0 DDAERO C[NH2+][C@@H](C(=O)N(C)CCc1ccc(F)cc1)c1cnn(C)c1 ZINC000262498585 203309849 /nfs/dbraw/zinc/30/98/49/203309849.db2.gz ILFCTIFELGJKFF-OAHLLOKOSA-N 1 0 304.369 1.521 10 0 DDAERO CC[NH2+]Cc1cccc(NC(=O)[C@@H](CCSC)NC(N)=O)c1 ZINC000262504871 203311846 /nfs/dbraw/zinc/31/18/46/203311846.db2.gz GQDLLNQGKNQMTN-CYBMUJFWSA-N 1 0 324.450 1.525 10 0 DDAERO CC[C@H](C)CN(CC)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]C ZINC000093265933 193222749 /nfs/dbraw/zinc/22/27/49/193222749.db2.gz CTERSAWQXUMQTG-UONOGXRCSA-N 1 0 305.488 1.673 10 0 DDAERO O=C([C@@H]1CC[NH2+]C1)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000262632774 203359238 /nfs/dbraw/zinc/35/92/38/203359238.db2.gz NUONRWWVLVDZDP-FRRDWIJNSA-N 1 0 310.419 1.009 10 0 DDAERO CCNS(=O)(=O)c1ccccc1N[C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000093463947 193255760 /nfs/dbraw/zinc/25/57/60/193255760.db2.gz PQTXYXDEHLXPHT-STQMWFEESA-N 1 0 311.451 1.927 10 0 DDAERO CNS(=O)(=O)c1ccc(C)c(N[C@H](C)C[C@@H]2CCC[NH2+]2)c1 ZINC000093464902 193255838 /nfs/dbraw/zinc/25/58/38/193255838.db2.gz QVUGPYKKWMIPNJ-OLZOCXBDSA-N 1 0 311.451 1.846 10 0 DDAERO CS(=O)(=O)[C@@H]1CCC[C@@]12CNC(=[NH2+])N2c1ccccc1F ZINC000093390958 193242883 /nfs/dbraw/zinc/24/28/83/193242883.db2.gz RPZWXMAZQRBWDR-TZMCWYRMSA-N 1 0 311.382 1.296 10 0 DDAERO C[C@@H]1CN(CC(C)(C)S(C)(=O)=O)[C@H](c2ccccc2)C[NH2+]1 ZINC000093525859 193264036 /nfs/dbraw/zinc/26/40/36/193264036.db2.gz JGUVABJXLKDXMX-HIFRSBDPSA-N 1 0 310.463 1.845 10 0 DDAERO CC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1CC(C)(C)S(C)(=O)=O ZINC000093525873 193264363 /nfs/dbraw/zinc/26/43/63/193264363.db2.gz JLRJUWHTERMXIK-OLZOCXBDSA-N 1 0 304.500 1.908 10 0 DDAERO CC(C)[NH2+][C@]1(CO)CCC[C@H]1CCSCCS(C)(=O)=O ZINC000093622005 193275515 /nfs/dbraw/zinc/27/55/15/193275515.db2.gz DUDRMVDRIMHXTD-KBPBESRZSA-N 1 0 323.524 1.684 10 0 DDAERO Cc1nc(SCC[C@@H]2CCC[C@@]2([NH2+]C2CC2)C(N)=O)n[nH]1 ZINC000093630026 193275979 /nfs/dbraw/zinc/27/59/79/193275979.db2.gz JLNVCFONNBJRTF-HZMBPMFUSA-N 1 0 309.439 1.372 10 0 DDAERO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CCCc1ccc2c(c1)CC(=O)N2 ZINC000262738686 203396313 /nfs/dbraw/zinc/39/63/13/203396313.db2.gz DBQPCWQQLMPHMO-QWHCGFSZSA-N 1 0 315.417 1.713 10 0 DDAERO Cn1cnnc1SCC[C@@H]1CCC[C@@]1([NH2+]C1CC1)C(N)=O ZINC000093629206 193276746 /nfs/dbraw/zinc/27/67/46/193276746.db2.gz ZXNXIWAUQIHARJ-HZMBPMFUSA-N 1 0 309.439 1.074 10 0 DDAERO CS(=O)(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC000093696174 193291849 /nfs/dbraw/zinc/29/18/49/193291849.db2.gz SBABAVFVTWJADB-LBPRGKRZSA-N 1 0 300.399 1.587 10 0 DDAERO CC(C)C[C@@H](CN(C)C)[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696641 193292087 /nfs/dbraw/zinc/29/20/87/193292087.db2.gz NFQKHLHGRXPYIW-CABCVRRESA-N 1 0 319.515 1.224 10 0 DDAERO C[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)C1CCC(=O)CC1 ZINC000093697346 193292892 /nfs/dbraw/zinc/29/28/92/193292892.db2.gz NVOPGLCZMBTZDV-GFCCVEGCSA-N 1 0 302.440 1.102 10 0 DDAERO CC[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCCO1 ZINC000093700544 193294147 /nfs/dbraw/zinc/29/41/47/193294147.db2.gz HMFHPCOUWFHMMS-MCIONIFRSA-N 1 0 304.456 1.205 10 0 DDAERO Cc1ccccc1C[C@@H]([NH3+])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700136 193294162 /nfs/dbraw/zinc/29/41/62/193294162.db2.gz FYUFZZSHNZMHIY-HOCLYGCPSA-N 1 0 310.463 1.927 10 0 DDAERO CCC1(CC)CN(C[C@@H]2CCCN(S(C)(=O)=O)C2)CC[NH2+]1 ZINC000093702565 193295423 /nfs/dbraw/zinc/29/54/23/193295423.db2.gz GLDHPGPOLOFWPL-AWEZNQCLSA-N 1 0 317.499 1.122 10 0 DDAERO COCC[NH2+]CC/C=C/C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093703155 193295952 /nfs/dbraw/zinc/29/59/52/193295952.db2.gz LXOJOMNBCXZANQ-RDFMZFSFSA-N 1 0 304.456 1.230 10 0 DDAERO CS(=O)(=O)CCS[C@H]1CCC[C@@](CO)([NH2+]C2CC2)C1 ZINC000093785998 193307489 /nfs/dbraw/zinc/30/74/89/193307489.db2.gz FRWRABOQODNQDB-QWHCGFSZSA-N 1 0 307.481 1.190 10 0 DDAERO CCC[NH2+][C@@]1(CO)CCC[C@H](SCCS(C)(=O)=O)C1 ZINC000093785990 193307977 /nfs/dbraw/zinc/30/79/77/193307977.db2.gz AOVPKRRGBQIXRS-STQMWFEESA-N 1 0 309.497 1.438 10 0 DDAERO Cc1cc(N)cc(C)c1S(=O)(=O)NCC1CC[NH+](C)CC1 ZINC000093648652 193282912 /nfs/dbraw/zinc/28/29/12/193282912.db2.gz CMWGNVZWQQOYFO-UHFFFAOYSA-N 1 0 311.451 1.506 10 0 DDAERO CC(C)OCCS(=O)(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000093664704 193285959 /nfs/dbraw/zinc/28/59/59/193285959.db2.gz KDECEHCJQCCVKJ-UHFFFAOYSA-N 1 0 302.396 1.191 10 0 DDAERO CCC[NH2+]C[C@H]1CCCN(S(=O)(=O)CCOC(C)C)C1 ZINC000093667727 193287432 /nfs/dbraw/zinc/28/74/32/193287432.db2.gz YJDWVJSYIJTTDJ-CQSZACIVSA-N 1 0 306.472 1.453 10 0 DDAERO CCOC(=O)[C@@]1([NH3+])CC[C@H](n2cc(Br)cn2)C1 ZINC000093833160 193314392 /nfs/dbraw/zinc/31/43/92/193314392.db2.gz BJQIFCZGXKGJMN-GXSJLCMTSA-N 1 0 302.172 1.631 10 0 DDAERO CC(C)[NH2+][C@]1(C(N)=O)CC[C@H](n2cc(C(F)(F)F)cn2)C1 ZINC000093834091 193314424 /nfs/dbraw/zinc/31/44/24/193314424.db2.gz PCMSUAFJVPJZAV-CMPLNLGQSA-N 1 0 304.316 1.849 10 0 DDAERO CC(C)[NH2+][C@]1(C(N)=O)CC[C@H](n2cc(Br)cn2)C1 ZINC000093833167 193314814 /nfs/dbraw/zinc/31/48/14/193314814.db2.gz DIYRXBUVQVOSMR-CMPLNLGQSA-N 1 0 315.215 1.593 10 0 DDAERO CCCN(CC(C)(C)C[NH3+])S(=O)(=O)N1CCC(C)CC1 ZINC000093878221 193321978 /nfs/dbraw/zinc/32/19/78/193321978.db2.gz FAPMUVJIBAOTGW-UHFFFAOYSA-N 1 0 305.488 1.660 10 0 DDAERO C[C@H]1C[C@H](C)CN(S(=O)(=O)N(C)CC2CC[NH2+]CC2)C1 ZINC000094023797 193339074 /nfs/dbraw/zinc/33/90/74/193339074.db2.gz XFNXLUAYOSJCPN-STQMWFEESA-N 1 0 303.472 1.141 10 0 DDAERO CC[NH2+][C@@H](CCCS(=O)(=O)CC)[C@H]1CN(C(C)C)CCO1 ZINC000093927788 193329199 /nfs/dbraw/zinc/32/91/99/193329199.db2.gz OAUNAIMJYVAUAV-LSDHHAIUSA-N 1 0 320.499 1.289 10 0 DDAERO CCN(CC1CC[NH2+]CC1)S(=O)(=O)CCc1ccncc1 ZINC000094023975 193339338 /nfs/dbraw/zinc/33/93/38/193339338.db2.gz OUFATSVQXVKNEC-UHFFFAOYSA-N 1 0 311.451 1.275 10 0 DDAERO CCOc1ccc([C@@H](C)[NH3+])cc1CN(C)CCS(C)(=O)=O ZINC000094298188 193357881 /nfs/dbraw/zinc/35/78/81/193357881.db2.gz NBYZLFJXWQGSNL-GFCCVEGCSA-N 1 0 314.451 1.581 10 0 DDAERO CC[NH2+]C[C@](C)(CN(C)CCS(C)(=O)=O)c1ccccc1 ZINC000094300320 193358112 /nfs/dbraw/zinc/35/81/12/193358112.db2.gz VFHFVOIAJGUZLL-MRXNPFEDSA-N 1 0 312.479 1.530 10 0 DDAERO CC[C@H]([NH3+])Cc1ccc(N(C)CCS(C)(=O)=O)c(F)c1 ZINC000094301370 193358628 /nfs/dbraw/zinc/35/86/28/193358628.db2.gz BXDRSZHOJHROEZ-LBPRGKRZSA-N 1 0 302.415 1.586 10 0 DDAERO CC[NH+](CC)CCOc1nc(C(F)(F)F)ccc1C(N)=O ZINC000094335722 193360657 /nfs/dbraw/zinc/36/06/57/193360657.db2.gz OKYCLKCSQDRFPW-UHFFFAOYSA-N 1 0 305.300 1.920 10 0 DDAERO Cc1cc(Br)cnc1N(C)CCN1CC[NH2+]CC1 ZINC000094051396 193341260 /nfs/dbraw/zinc/34/12/60/193341260.db2.gz QQOUMKVZSYHVME-UHFFFAOYSA-N 1 0 313.243 1.494 10 0 DDAERO Cc1ccccc1CC[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000094183221 193347707 /nfs/dbraw/zinc/34/77/07/193347707.db2.gz DZYORZMCMZFEKR-OAHLLOKOSA-N 1 0 310.463 1.799 10 0 DDAERO C[C@@](N)(C(=O)N1CCC(C[NH+]2CCCC2)CC1)C(F)(F)F ZINC000094235684 193353466 /nfs/dbraw/zinc/35/34/66/193353466.db2.gz ISGJFQKAZVRAOV-CYBMUJFWSA-N 1 0 307.360 1.601 10 0 DDAERO C[NH+](C)[C@H](CNC(=O)[C@](C)(N)C(F)(F)F)c1ccccc1 ZINC000094236468 193353645 /nfs/dbraw/zinc/35/36/45/193353645.db2.gz JMTZFQSDJZXNLN-YPMHNXCESA-N 1 0 303.328 1.685 10 0 DDAERO [NH3+][C@H]1CCC2(C[C@H]1S(=O)(=O)c1cccc(F)c1)OCCO2 ZINC000094624824 193385579 /nfs/dbraw/zinc/38/55/79/193385579.db2.gz HLRYSAVHUXUMIS-QWHCGFSZSA-N 1 0 315.366 1.222 10 0 DDAERO COc1ccc(C[NH3+])c(O[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000094634489 193386432 /nfs/dbraw/zinc/38/64/32/193386432.db2.gz GNZHPGAHMMZIFM-UONOGXRCSA-N 1 0 313.419 1.889 10 0 DDAERO CS(=O)(=O)[C@H]1CCC[C@H](N(CC[NH3+])Cc2ccccc2)C1 ZINC000094634655 193386599 /nfs/dbraw/zinc/38/65/99/193386599.db2.gz GOZPYVVREWNSQU-HOTGVXAUSA-N 1 0 310.463 1.803 10 0 DDAERO CCC[NH2+][C@H]([C@@H]1CCC[C@H](S(C)(=O)=O)C1)[C@@H]1COCCO1 ZINC000094642672 193388706 /nfs/dbraw/zinc/38/87/06/193388706.db2.gz DNTZFFKYKKCWNN-CBBWQLFWSA-N 1 0 319.467 1.373 10 0 DDAERO C[NH2+]CCc1c(C)nn([C@H]2CCC[C@H](S(C)(=O)=O)C2)c1C ZINC000094644416 193389685 /nfs/dbraw/zinc/38/96/85/193389685.db2.gz YRRWBXAMMUTOEI-KBPBESRZSA-N 1 0 313.467 1.790 10 0 DDAERO C[C@@H]1SCCC[C@@]1(C[NH3+])N1CCSC[C@@H]1S(C)(=O)=O ZINC000094479461 193372560 /nfs/dbraw/zinc/37/25/60/193372560.db2.gz CRHDWGSZBUUMGF-SRVKXCTJSA-N 1 0 324.537 1.019 10 0 DDAERO CCS(=O)(=O)[C@@H]1CSCCN1[C@@]1(C[NH3+])CS[C@@H](C)C1 ZINC000094473831 193372996 /nfs/dbraw/zinc/37/29/96/193372996.db2.gz NTPRWZHZKJHHET-TUAOUCFPSA-N 1 0 324.537 1.019 10 0 DDAERO CC1(C)CSC[C@@](C[NH3+])(N2CC[C@H](N3CCOCC3)C2)C1 ZINC000094489556 193373358 /nfs/dbraw/zinc/37/33/58/193373358.db2.gz YIRXUAHUSRTQRS-GOEBONIOSA-N 1 0 313.511 1.254 10 0 DDAERO CN(Cc1nc2ccccc2s1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094567826 193380603 /nfs/dbraw/zinc/38/06/03/193380603.db2.gz FQIRJANIUGDYIA-PWSUYJOCSA-N 1 0 305.403 1.761 10 0 DDAERO CC[N@H+](C)CCNC(=O)c1cccc(C(F)(F)F)c1NN ZINC000094599570 193382999 /nfs/dbraw/zinc/38/29/99/193382999.db2.gz FDOSKUYQJXPWSO-UHFFFAOYSA-N 1 0 304.316 1.673 10 0 DDAERO CCS(=O)(=O)CCC[C@H](Cc1ccc(OC)nc1)[NH2+]C ZINC000094632804 193385391 /nfs/dbraw/zinc/38/53/91/193385391.db2.gz LKNACGLXKHNALH-CYBMUJFWSA-N 1 0 300.424 1.436 10 0 DDAERO COC(=O)[C@](C)(NCC[NH+](C)C)c1cc(F)c(C)cc1F ZINC000094737631 193393704 /nfs/dbraw/zinc/39/37/04/193393704.db2.gz HTZGRXBYNSWADQ-OAHLLOKOSA-N 1 0 300.349 1.813 10 0 DDAERO CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])cn1 ZINC000094750349 193395382 /nfs/dbraw/zinc/39/53/82/193395382.db2.gz YKYUXMJNEJFLCT-NEPJUHHUSA-N 1 0 311.407 1.331 10 0 DDAERO C[NH2+]Cc1cc(S(=O)(=O)NC[C@@]2(C)CCCO2)c(C)o1 ZINC000094815135 193399929 /nfs/dbraw/zinc/39/99/29/193399929.db2.gz VHAMHVKKKAALOA-CYBMUJFWSA-N 1 0 302.396 1.155 10 0 DDAERO C[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1csc(C)n1 ZINC000097309205 193706512 /nfs/dbraw/zinc/70/65/12/193706512.db2.gz JJLDUWMJMVZWKO-RYUDHWBXSA-N 1 0 317.480 1.774 10 0 DDAERO O[C@@H](COc1ccc(Cl)c(Cl)c1)CN1CC[NH2+]CC1 ZINC000019668839 182135316 /nfs/dbraw/zinc/13/53/16/182135316.db2.gz ZYLFQYRGHLUCHC-SNVBAGLBSA-N 1 0 305.205 1.638 10 0 DDAERO CS(=O)(=O)c1ccc(C(=O)NCC[C@H]2CCCC[NH2+]2)cc1 ZINC000021511257 182276869 /nfs/dbraw/zinc/27/68/69/182276869.db2.gz GTXBYYZFXFHUKS-CYBMUJFWSA-N 1 0 310.419 1.352 10 0 DDAERO CN(CC(=O)Nc1ccc(Cl)cc1N)C1CC[NH+](C)CC1 ZINC000021517406 182277523 /nfs/dbraw/zinc/27/75/23/182277523.db2.gz QYSIDZRBIIPESR-UHFFFAOYSA-N 1 0 310.829 1.887 10 0 DDAERO Cc1nn(C[C@H](C)C(=O)NCCC[NH+](C)C)c(C)c1Cl ZINC000035670834 182785058 /nfs/dbraw/zinc/78/50/58/182785058.db2.gz QGFCLULWKYATMC-JTQLQIEISA-N 1 0 300.834 1.857 10 0 DDAERO O=C(Nc1cc(-n2cnnn2)ccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000037025182 182861802 /nfs/dbraw/zinc/86/18/02/182861802.db2.gz HTPOLNWMCFEOJR-SECBINFHSA-N 1 0 306.757 1.254 10 0 DDAERO Cc1ccc(OC[C@@H](O)C[NH2+]CCCO)c(Br)c1 ZINC000037851176 182931915 /nfs/dbraw/zinc/93/19/15/182931915.db2.gz LKMIUXZJGYIOKB-NSHDSACASA-N 1 0 318.211 1.469 10 0 DDAERO [NH3+][C@H]1CCCC[C@@H]1Nc1ccccc1S(=O)(=O)NC1CC1 ZINC000038050859 182982860 /nfs/dbraw/zinc/98/28/60/182982860.db2.gz GCCGJVAIBUPNQJ-STQMWFEESA-N 1 0 309.435 1.809 10 0 DDAERO C[C@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)c1nc2ccccc2[nH]1 ZINC000333432075 248986372 /nfs/dbraw/zinc/98/63/72/248986372.db2.gz USVBRHFMLLJURF-RWMBFGLXSA-N 1 0 313.405 1.875 10 0 DDAERO C[C@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000333596408 249035621 /nfs/dbraw/zinc/03/56/21/249035621.db2.gz BNSRZFHBSFOORS-HNKHHVNMSA-N 1 0 303.406 1.690 10 0 DDAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2cc3c(cc2Cl)NC(=O)C3)C1 ZINC000040633045 183111664 /nfs/dbraw/zinc/11/16/64/183111664.db2.gz LEGSWMYMAWZNJR-UFBFGSQYSA-N 1 0 309.753 1.150 10 0 DDAERO CC(C)NS(=O)(=O)c1ccccc1N[C@@H]1CCC[N@H+](C)C1 ZINC000040673421 183115923 /nfs/dbraw/zinc/11/59/23/183115923.db2.gz ICBXDUKFWUXBSQ-CYBMUJFWSA-N 1 0 311.451 1.879 10 0 DDAERO CC(C)NS(=O)(=O)c1ccc(N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000040673404 183116109 /nfs/dbraw/zinc/11/61/09/183116109.db2.gz KJYXDPJTUKCOFD-AWEZNQCLSA-N 1 0 311.451 1.879 10 0 DDAERO C[NH+]1CCN(CCCNC(=O)c2ccc(Cl)c(N)c2)CC1 ZINC000040808814 183136691 /nfs/dbraw/zinc/13/66/91/183136691.db2.gz LUUXCAGJZNJDAU-UHFFFAOYSA-N 1 0 310.829 1.290 10 0 DDAERO CCOc1ccc(S(=O)(=O)N2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749918 183128562 /nfs/dbraw/zinc/12/85/62/183128562.db2.gz FQQNBKSHDCKCTQ-YHWZYXNKSA-N 1 0 310.419 1.728 10 0 DDAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000040749839 183128728 /nfs/dbraw/zinc/12/87/28/183128728.db2.gz QGRNUHTYEXXSOP-GOOCMWNKSA-N 1 0 306.431 1.818 10 0 DDAERO CN(Cc1ccccc1)S(=O)(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749882 183128834 /nfs/dbraw/zinc/12/88/34/183128834.db2.gz HHRKWPSGWNVGEX-GOOCMWNKSA-N 1 0 309.435 1.317 10 0 DDAERO CN1CCN(Nc2[nH+]cnc(Sc3ccccc3)c2N)CC1 ZINC000040756917 183129485 /nfs/dbraw/zinc/12/94/85/183129485.db2.gz YYAQEMMHKHFASB-UHFFFAOYSA-N 1 0 316.434 1.784 10 0 DDAERO CN1CCN(Nc2[nH+]cnc(OC3CCCCC3)c2N)CC1 ZINC000040757069 183129595 /nfs/dbraw/zinc/12/95/95/183129595.db2.gz QELOEPMANMJVAS-UHFFFAOYSA-N 1 0 306.414 1.345 10 0 DDAERO C[NH+](C)Cc1ccc([C@H](NS(C)(=O)=O)c2ccncc2)cc1 ZINC000041531886 183199060 /nfs/dbraw/zinc/19/90/60/183199060.db2.gz JXCPIKIQOJNIPJ-INIZCTEOSA-N 1 0 319.430 1.782 10 0 DDAERO C[C@H]1CN(S(=O)(=O)Cc2cccc(C[NH3+])c2)CC(C)(C)O1 ZINC000041675984 183215131 /nfs/dbraw/zinc/21/51/31/183215131.db2.gz 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310.829 1.887 10 0 DDAERO CCN[C@@](C)(CCCC[N@@H+]1CCCOCC1)C(=O)OCC ZINC000061933705 184197049 /nfs/dbraw/zinc/19/70/49/184197049.db2.gz DSSWLSSBUGVJEQ-INIZCTEOSA-N 1 0 300.443 1.810 10 0 DDAERO [NH3+]C[C@H]1CCC[C@H](C(=O)N2CCN(CC(F)(F)F)CC2)C1 ZINC000061951189 184198433 /nfs/dbraw/zinc/19/84/33/184198433.db2.gz VLTRJRGITDJPIZ-RYUDHWBXSA-N 1 0 307.360 1.458 10 0 DDAERO C[C@H](c1ccc(Cl)cc1)N(C)[C@@H]1CS(=O)(=O)C[C@@H]1[NH3+] ZINC000062014416 184201062 /nfs/dbraw/zinc/20/10/62/184201062.db2.gz SBUBWTZXSAGOFU-JIMOISOXSA-N 1 0 302.827 1.457 10 0 DDAERO CCC[C@@H]1CC[C@H]([NH2+]C)[C@H](N2CCN(S(C)(=O)=O)CC2)C1 ZINC000062083904 184205023 /nfs/dbraw/zinc/20/50/23/184205023.db2.gz DEJKSQKBEDHAHP-QLFBSQMISA-N 1 0 317.499 1.120 10 0 DDAERO Cc1ccc(S(C)(=O)=O)cc1NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062854983 184256378 /nfs/dbraw/zinc/25/63/78/184256378.db2.gz XEMYRPWRKGLXQP-HNNXBMFYSA-N 1 0 310.419 1.727 10 0 DDAERO CC[C@]1(C(=O)Nc2cccc(S(N)(=O)=O)c2)CCC[NH2+]C1 ZINC000062852268 184256575 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312.797 1.508 10 0 DDAERO COC[C@H]([NH3+])C(=O)NCc1csc(CCc2ccccc2)n1 ZINC000262298364 407788035 /nfs/dbraw/zinc/78/80/35/407788035.db2.gz NQAYCWWETPUQRN-AWEZNQCLSA-N 1 0 319.430 1.518 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1cccc(OCc2ccccn2)c1 ZINC000262292999 407788234 /nfs/dbraw/zinc/78/82/34/407788234.db2.gz NCECOUUEXLNAPN-OAHLLOKOSA-N 1 0 301.346 1.573 10 0 DDAERO COC(=O)C1CCC(C(=O)N2CCCC[C@H]2C[NH+](C)C)CC1 ZINC000179494037 407796303 /nfs/dbraw/zinc/79/63/03/407796303.db2.gz IVKLVOTWHOQZCZ-NRXISQOPSA-N 1 0 310.438 1.909 10 0 DDAERO COC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(-n2nc(C)cc2C)cc1 ZINC000262342409 407806583 /nfs/dbraw/zinc/80/65/83/407806583.db2.gz SXMCTWGFIHCZDG-BBRMVZONSA-N 1 0 316.405 1.640 10 0 DDAERO CCOCCNC(=O)N1CC[N@H+](CCOCC)[C@@H](CC)C1 ZINC000117029817 407807409 /nfs/dbraw/zinc/80/74/09/407807409.db2.gz IVXIXBQKTKASII-AWEZNQCLSA-N 1 0 301.431 1.165 10 0 DDAERO COCc1ccc(CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000117031204 407807882 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COC[C@@H]([NH3+])C(=O)NCc1ccc(OC2CCCCC2)cc1 ZINC000262384445 407820514 /nfs/dbraw/zinc/82/05/14/407820514.db2.gz YHDAJFZFNJBARF-MRXNPFEDSA-N 1 0 306.406 1.988 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN([C@H](C(=O)OC)c2ccccc2)CC1 ZINC000173457716 407880201 /nfs/dbraw/zinc/88/02/01/407880201.db2.gz TTWKNWXKZKZUFW-CVEARBPZSA-N 1 0 306.406 1.289 10 0 DDAERO COC(=O)C1CCC(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000180389206 407882752 /nfs/dbraw/zinc/88/27/52/407882752.db2.gz KELUWLSWXHOYLH-CKUJCDMFSA-N 1 0 322.449 1.909 10 0 DDAERO Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@H]3C[NH3+])cc2)co1 ZINC000262726438 407908982 /nfs/dbraw/zinc/90/89/82/407908982.db2.gz APWSYCMUGICXEW-ZDUSSCGKSA-N 1 0 321.402 1.762 10 0 DDAERO COc1cc(OC)c(OC)cc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000262473174 407845883 /nfs/dbraw/zinc/84/58/83/407845883.db2.gz JKBVCWPBLUCOAZ-YUTCNCBUSA-N 1 0 306.406 1.882 10 0 DDAERO CC[N@H+](CCO)CCNC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000187394977 407851623 /nfs/dbraw/zinc/85/16/23/407851623.db2.gz PDOISMGELJFUHL-INIZCTEOSA-N 1 0 323.412 1.817 10 0 DDAERO O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H](O)c1ccc(Cl)cc1 ZINC000262833960 407952694 /nfs/dbraw/zinc/95/26/94/407952694.db2.gz VSBTXIVULKAYLN-CHWSQXEVSA-N 1 0 314.838 1.585 10 0 DDAERO CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H]2CCO[C@@H]2C(C)C)C1(C)C ZINC000262742840 407914449 /nfs/dbraw/zinc/91/44/49/407914449.db2.gz JFHIYJGHCHEHLZ-WBOJAVRRSA-N 1 0 312.454 1.696 10 0 DDAERO COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000262773920 407924778 /nfs/dbraw/zinc/92/47/78/407924778.db2.gz MUUWTPHAKUJZTG-ONGXEEELSA-N 1 0 318.826 1.767 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000181647603 408024541 /nfs/dbraw/zinc/02/45/41/408024541.db2.gz AQVHDYPXOZLUGX-IPYPFGDCSA-N 1 0 322.453 1.025 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnc2n[nH]c(C)c2c1 ZINC000175006764 408028098 /nfs/dbraw/zinc/02/80/98/408028098.db2.gz GNYJHMWUFXTXHD-ZIAGYGMSSA-N 1 0 313.405 1.965 10 0 DDAERO 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ZINC000123221450 696729839 /nfs/dbraw/zinc/72/98/39/696729839.db2.gz HHLSVPZBQJVTFL-INIZCTEOSA-N 1 0 306.406 1.500 10 0 DDAERO COC(=O)N[C@@H](C(=O)NCCC[NH+]1CCCCCC1)C(C)C ZINC000108255439 696633099 /nfs/dbraw/zinc/63/30/99/696633099.db2.gz ZJGWEVSIPQOLKW-CQSZACIVSA-N 1 0 313.442 1.749 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)COc2ccc3c(c2)CCC3)CCO1 ZINC000116796409 696668542 /nfs/dbraw/zinc/66/85/42/696668542.db2.gz IXOZZZHFEBCMBO-KRWDZBQOSA-N 1 0 318.417 1.343 10 0 DDAERO COc1c(C)cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1C ZINC000124513748 696743732 /nfs/dbraw/zinc/74/37/32/696743732.db2.gz PURQGZWOGVTFCF-TZMCWYRMSA-N 1 0 312.435 1.718 10 0 DDAERO CCOCCN1CCN(C(=O)Nc2ccc(F)nc2)C[C@@H]1C ZINC000126442564 696762093 /nfs/dbraw/zinc/76/20/93/696762093.db2.gz HAIIFZVALCIHLA-LBPRGKRZSA-N 1 0 310.373 1.795 10 0 DDAERO O=C1CN(c2ccccc2)C(=O)N1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172503139 697368130 /nfs/dbraw/zinc/36/81/30/697368130.db2.gz FVTVQHONYBKRDW-OAHLLOKOSA-N 1 0 314.389 1.193 10 0 DDAERO S=c1n(CN2CC[N@@H+]3CCC[C@@H]3C2)nc2n1CCCCC2 ZINC000172503298 697368220 /nfs/dbraw/zinc/36/82/20/697368220.db2.gz WEUOFHDFFLHAEF-CYBMUJFWSA-N 1 0 307.467 1.878 10 0 DDAERO CCCN(C(=O)[C@H](C)NC(=O)Nc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000178905825 697430309 /nfs/dbraw/zinc/43/03/09/697430309.db2.gz HVUNEFKFYPGEPZ-ZFWWWQNUSA-N 1 0 318.421 1.797 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1[nH]nc2c1CCCC2 ZINC000188407162 697558973 /nfs/dbraw/zinc/55/89/73/697558973.db2.gz RKIFJQHMTKHNDY-ZDUSSCGKSA-N 1 0 304.438 1.774 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C)CC2(C)OCCO2)C1 ZINC000246657746 698353146 /nfs/dbraw/zinc/35/31/46/698353146.db2.gz PSXTVIOLECCHDW-KGLIPLIRSA-N 1 0 313.442 1.559 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnn(-c2ccccc2)n1 ZINC000247197732 698363434 /nfs/dbraw/zinc/36/34/34/698363434.db2.gz LNZAQBPFPCWHEW-ZFWWWQNUSA-N 1 0 311.389 1.576 10 0 DDAERO CC(C)(C)[C@]1(C)NC(=O)N(CN2CC[N@@H+]3CCC[C@H]3C2)C1=O ZINC000248720754 698379022 /nfs/dbraw/zinc/37/90/22/698379022.db2.gz DZQAJBUIIXDQCX-BLLLJJGKSA-N 1 0 308.426 1.081 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](O)c2cccc(F)c2)C1 ZINC000250036703 698398790 /nfs/dbraw/zinc/39/87/90/698398790.db2.gz AYKJLBYOVSKGJH-HUUCEWRRSA-N 1 0 309.385 1.643 10 0 DDAERO CCCS(=O)(=O)N1CCC[C@@H]1c1nc(C[C@H](C)[NH2+]C)no1 ZINC000261681923 698432683 /nfs/dbraw/zinc/43/26/83/698432683.db2.gz GYMUOSFYANAKMK-WDEREUQCSA-N 1 0 316.427 1.097 10 0 DDAERO [NH3+]C1(C(=O)NC[C@H](O)c2cc3ccccc3s2)CCOCC1 ZINC000261802559 698438155 /nfs/dbraw/zinc/43/81/55/698438155.db2.gz IZKNUBPTPWPJEU-LBPRGKRZSA-N 1 0 320.414 1.559 10 0 DDAERO CCCNC(=O)Nc1ccc(CC(=O)NC[C@@H](C)[NH2+]C)cc1 ZINC000261821883 698439650 /nfs/dbraw/zinc/43/96/50/698439650.db2.gz UKSFNYXJCMEFON-GFCCVEGCSA-N 1 0 306.410 1.485 10 0 DDAERO CCOC(=O)C[C@@H](NC(=O)[C@H]([NH3+])COC)c1ccccc1C ZINC000262220411 698459776 /nfs/dbraw/zinc/45/97/76/698459776.db2.gz FRPCNLRYWGFEDW-ZIAGYGMSSA-N 1 0 308.378 1.079 10 0 DDAERO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000262319787 698464196 /nfs/dbraw/zinc/46/41/96/698464196.db2.gz QWUPFSIBQHBUCF-NHCYSSNCSA-N 1 0 323.359 1.323 10 0 DDAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000702834770 699233335 /nfs/dbraw/zinc/23/33/35/699233335.db2.gz CMVVZURLRGNXLS-UPJWGTAASA-N 1 0 316.467 1.699 10 0 DDAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCOC[C@@H]1O ZINC000706772514 699244551 /nfs/dbraw/zinc/24/45/51/699244551.db2.gz LBKIWXNDBLZIGJ-AGIUHOORSA-N 1 0 300.399 1.125 10 0 DDAERO NC(=O)C1CC([NH2+]Cc2cccc(F)c2Br)C1 ZINC000716681858 699283756 /nfs/dbraw/zinc/28/37/56/699283756.db2.gz DMHGIFHNDODDGY-UHFFFAOYSA-N 1 0 301.159 1.942 10 0 DDAERO CCn1cnnc1C[NH2+]C[C@@H]1CCCO[C@H]1c1ccnn1CC ZINC000850032258 703698395 /nfs/dbraw/zinc/69/83/95/703698395.db2.gz RWWJUFUMXVXFRV-XJKSGUPXSA-N 1 0 318.425 1.772 10 0 DDAERO Cc1cc2c(NCc3cc(O[C@@H]4CC[NH2+]C4)ccn3)nccn2n1 ZINC000818628098 703946642 /nfs/dbraw/zinc/94/66/42/703946642.db2.gz GVNJPIXHGFETNS-OAHLLOKOSA-N 1 0 324.388 1.786 10 0 DDAERO C[NH+](C)[C@@H]1CN(C(=O)c2ccoc2C2CC2)C[C@@H]1n1ccnn1 ZINC000862938449 705831303 /nfs/dbraw/zinc/83/13/03/705831303.db2.gz RQKHFKAKHGQZFA-KGLIPLIRSA-N 1 0 315.377 1.376 10 0 DDAERO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CCc1cnn(C)n1 ZINC000826794132 705873197 /nfs/dbraw/zinc/87/31/97/705873197.db2.gz NMGFXYKGCWLMGR-LSDHHAIUSA-N 1 0 305.426 1.223 10 0 DDAERO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)/C=C/c1ccccc1 ZINC000829361881 706322797 /nfs/dbraw/zinc/32/27/97/706322797.db2.gz WVKVJRDHJUCADX-AEZGRPFRSA-N 1 0 308.325 1.809 10 0 DDAERO CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@@H]1c1ccc(N)nn1 ZINC000886097076 708697660 /nfs/dbraw/zinc/69/76/60/708697660.db2.gz MCNCGHLUNXBAHH-CQSZACIVSA-N 1 0 312.377 1.497 10 0 DDAERO CCc1nnc2n1C[C@H](NC(=O)[C@@H]1CC[C@H]3CCCC[N@@H+]31)CC2 ZINC000900478877 709614989 /nfs/dbraw/zinc/61/49/89/709614989.db2.gz ONEXSGBCNGKONQ-MCIONIFRSA-N 1 0 317.437 1.288 10 0 DDAERO O=C(N[C@@H]1CCOc2ccccc21)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895484007 711524204 /nfs/dbraw/zinc/52/42/04/711524204.db2.gz WEKWHAQIWKXSPJ-DZGCQCFKSA-N 1 0 302.374 1.347 10 0 DDAERO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCc3nccn3C2)C1 ZINC000907558663 712594766 /nfs/dbraw/zinc/59/47/66/712594766.db2.gz HWJJRBHTGOGPHK-HUUCEWRRSA-N 1 0 304.438 1.684 10 0 DDAERO C[C@H]1Oc2ccc(C(=O)NCCC[NH+](C)C)cc2N(C)C1=O ZINC000074670282 185007312 /nfs/dbraw/zinc/00/73/12/185007312.db2.gz PKZGCRIUIAXCQX-LLVKDONJSA-N 1 0 305.378 1.112 10 0 DDAERO CC[C@H]1CN(C(=O)NCC2(C(C)C)CC2)CC[N@@H+]1C[C@H](C)O ZINC000248496022 282087523 /nfs/dbraw/zinc/08/75/23/282087523.db2.gz QPVHPOOYNYCEDM-GJZGRUSLSA-N 1 0 311.470 1.909 10 0 DDAERO CN(C)c1nnc(S[C@H]2CC3(CC[C@@H]2[NH3+])OCCO3)s1 ZINC000081769376 192322227 /nfs/dbraw/zinc/32/22/27/192322227.db2.gz FJVIABUAOJSNMD-IUCAKERBSA-N 1 0 316.452 1.319 10 0 DDAERO CCC[NH2+][C@H]1CCC2(C[C@@H]1SCCC(=O)OC)OCCO2 ZINC000081790095 192324012 /nfs/dbraw/zinc/32/40/12/192324012.db2.gz FHBIQKYIWKLQGX-STQMWFEESA-N 1 0 317.451 1.947 10 0 DDAERO CCC[NH2+][C@H]1CCC2(C[C@@H]1SCC(=O)OC)OCCO2 ZINC000081792992 192324677 /nfs/dbraw/zinc/32/46/77/192324677.db2.gz QISLADPADDQIHX-RYUDHWBXSA-N 1 0 303.424 1.556 10 0 DDAERO Cn1c(SC[C@H]([NH3+])C23CC4CC(CC(C4)C2)C3)n[nH]c1=O ZINC000081880687 192333833 /nfs/dbraw/zinc/33/38/33/192333833.db2.gz CMQMDDXBXFSENI-ONTFQQAWSA-N 1 0 308.451 1.744 10 0 DDAERO COC(=O)C[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1cccs1 ZINC000081900052 192334971 /nfs/dbraw/zinc/33/49/71/192334971.db2.gz OJWWSFIIYKIYFF-VHSXEESVSA-N 1 0 305.421 1.375 10 0 DDAERO CCC[NH2+][C@@H]1CCOC[C@H]1S(=O)(=O)c1ccc(F)cc1 ZINC000081921369 192339204 /nfs/dbraw/zinc/33/92/04/192339204.db2.gz SUCMWEYPJMGVDO-ZIAGYGMSSA-N 1 0 301.383 1.757 10 0 DDAERO C[NH+](C)C[C@@](C)(O)CNC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000178925502 282128955 /nfs/dbraw/zinc/12/89/55/282128955.db2.gz VXARDHITBCDDSG-VIFSAKLVSA-N 1 0 309.454 1.423 10 0 DDAERO CC[NH2+][C@@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000081934450 192342283 /nfs/dbraw/zinc/34/22/83/192342283.db2.gz KODZCPPCPLETAK-OLZOCXBDSA-N 1 0 305.346 1.506 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H](OCCOC)C2)C1 ZINC000249275199 282140724 /nfs/dbraw/zinc/14/07/24/282140724.db2.gz KTNXVZDPXUIOMR-HUUCEWRRSA-N 1 0 313.442 1.308 10 0 DDAERO C[C@@H](CC[NH3+])CCC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000079119727 185159449 /nfs/dbraw/zinc/15/94/49/185159449.db2.gz OUSPOKBDQPDPLO-GFCCVEGCSA-N 1 0 312.435 1.471 10 0 DDAERO CC(C)(C)[C@@H](CC[NH3+])CCC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000079291509 185163643 /nfs/dbraw/zinc/16/36/43/185163643.db2.gz YOCYSBSOJUITDJ-CHWSQXEVSA-N 1 0 318.483 1.329 10 0 DDAERO CCC[C@H]1CCCN(C(=O)[C@H]([NH3+])CCS(C)(=O)=O)CC1 ZINC000079340472 185165769 /nfs/dbraw/zinc/16/57/69/185165769.db2.gz ORGFFVQWXCWXCP-QWHCGFSZSA-N 1 0 304.456 1.177 10 0 DDAERO C[NH2+][C@@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000081962165 192345743 /nfs/dbraw/zinc/34/57/43/192345743.db2.gz YLFPYEDWIZOALS-NEPJUHHUSA-N 1 0 307.774 1.630 10 0 DDAERO CCCOc1ccc(S(=O)(=O)N[C@H](C[NH3+])CCC)cc1 ZINC000087403925 185223954 /nfs/dbraw/zinc/22/39/54/185223954.db2.gz SHOYOQBCZQUBCU-LBPRGKRZSA-N 1 0 300.424 1.881 10 0 DDAERO CS(=O)(=O)c1ccc(-c2nnsc2C[NH2+]C2CC2)cc1 ZINC000087457519 185225829 /nfs/dbraw/zinc/22/58/29/185225829.db2.gz ZFAQRFHGCKNHAQ-UHFFFAOYSA-N 1 0 309.416 1.861 10 0 DDAERO CC[C@H](C[NH3+])C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000087520099 185227619 /nfs/dbraw/zinc/22/76/19/185227619.db2.gz GPBHYXURPOHUCP-MRVPVSSYSA-N 1 0 319.814 1.635 10 0 DDAERO C[C@@]1(CNCc2sccc2Br)COC[C@H]1[NH3+] ZINC000087576089 185228779 /nfs/dbraw/zinc/22/87/79/185228779.db2.gz NZBRNFLNASZVPQ-GHMZBOCLSA-N 1 0 305.241 1.964 10 0 DDAERO Cc1nc(CS(C)(=O)=O)nc(C)c1C[C@@H](C)C[NH2+]C(C)C ZINC000087707384 185230690 /nfs/dbraw/zinc/23/06/90/185230690.db2.gz KNZDXSHQKJWORK-LLVKDONJSA-N 1 0 313.467 1.815 10 0 DDAERO CCN(C(=O)CCC(C)(C)CC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000087695571 185230795 /nfs/dbraw/zinc/23/07/95/185230795.db2.gz QDSXUUMIIHNELI-GFCCVEGCSA-N 1 0 304.456 1.177 10 0 DDAERO NNc1nc(NC[C@@H]2CCC[C@@H]2CO)c(Br)c[nH+]1 ZINC000087890093 185234614 /nfs/dbraw/zinc/23/46/14/185234614.db2.gz KUHANFOAMBKAFF-JGVFFNPUSA-N 1 0 316.203 1.345 10 0 DDAERO CC[C@@H](C)N(CCOC)c1nc(NN)[nH+]cc1Br ZINC000087866736 185233784 /nfs/dbraw/zinc/23/37/84/185233784.db2.gz GJOFTPIPYHHKJO-MRVPVSSYSA-N 1 0 318.219 1.776 10 0 DDAERO Cc1nn(-c2nc(NN)[nH+]cc2F)c(C)c1Br ZINC000087867503 185233864 /nfs/dbraw/zinc/23/38/64/185233864.db2.gz JHNPJIBVENQYLL-UHFFFAOYSA-N 1 0 301.123 1.466 10 0 DDAERO CCC[NH+](CCC)CCCNC(=O)N1CCC[C@@H]1C(=O)NC ZINC000158049804 539216462 /nfs/dbraw/zinc/21/64/62/539216462.db2.gz LHZRSUOCFFNOBD-CQSZACIVSA-N 1 0 312.458 1.419 10 0 DDAERO Cc1nccc(CNc2nc(NN)[nH+]cc2Br)n1 ZINC000087868227 185234052 /nfs/dbraw/zinc/23/40/52/185234052.db2.gz MQNWLTBTUYTDKP-UHFFFAOYSA-N 1 0 310.159 1.235 10 0 DDAERO NNc1nc(NC[C@H]2CCCC[C@H]2O)c(Br)c[nH+]1 ZINC000087882666 185234316 /nfs/dbraw/zinc/23/43/16/185234316.db2.gz SOQRHIIGDXUTMV-VXNVDRBHSA-N 1 0 316.203 1.488 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cnn(CC2CC2)c1 ZINC000179886215 539235060 /nfs/dbraw/zinc/23/50/60/539235060.db2.gz KFXCMNYPVIYYJI-IUODEOHRSA-N 1 0 303.410 1.994 10 0 DDAERO CCOC(=O)CS(=O)(=O)[C@H](C(C)C)[C@H]([NH3+])c1ccccc1 ZINC000081977070 192348566 /nfs/dbraw/zinc/34/85/66/192348566.db2.gz HGOZYDLJIQPABN-HUUCEWRRSA-N 1 0 313.419 1.689 10 0 DDAERO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN(CC(F)(F)F)C1CC1 ZINC000088397550 185248504 /nfs/dbraw/zinc/24/85/04/185248504.db2.gz DNZPUMDHAJWXHC-UONOGXRCSA-N 1 0 302.340 1.944 10 0 DDAERO CN(C)c1nnc(SC[C@H](O)[C@H]([NH3+])Cc2ccccc2)s1 ZINC000088398598 185248591 /nfs/dbraw/zinc/24/85/91/185248591.db2.gz DUFNVNHVOSDTNX-NEPJUHHUSA-N 1 0 324.475 1.627 10 0 DDAERO CC[C@@H](C(N)=S)[NH+]1CCN(C(=O)c2cncc(C)c2)CC1 ZINC000088449303 185251392 /nfs/dbraw/zinc/25/13/92/185251392.db2.gz YBNRBVWQRCZLLK-ZDUSSCGKSA-N 1 0 306.435 1.213 10 0 DDAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N(CC)CCOC)o1 ZINC000088544288 185256753 /nfs/dbraw/zinc/25/67/53/185256753.db2.gz GXUMQUVFNROIRK-UHFFFAOYSA-N 1 0 304.412 1.436 10 0 DDAERO COC[C@@H]1C[N@H+](C[C@H](O)COCc2ccccc2)C[C@H](C)O1 ZINC000251869424 282205806 /nfs/dbraw/zinc/20/58/06/282205806.db2.gz OXKMWAGHRGQOGQ-XIRDDKMYSA-N 1 0 309.406 1.300 10 0 DDAERO CC[NH2+]C[C@H](Cc1ncnn1C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000088620170 185260168 /nfs/dbraw/zinc/26/01/68/185260168.db2.gz KKDXGRQHGOPBKM-OLZOCXBDSA-N 1 0 314.455 1.062 10 0 DDAERO Cc1cc(C)c2c(N)c(C(=O)N3CC[C@@H](C[NH3+])C3)sc2n1 ZINC000088642739 185261396 /nfs/dbraw/zinc/26/13/96/185261396.db2.gz KLDYBCDLKUVEMO-JTQLQIEISA-N 1 0 304.419 1.916 10 0 DDAERO CCOC(=O)[C@@H]1C[NH2+]CCN1c1ncccc1C(F)(F)F ZINC000088673277 185262280 /nfs/dbraw/zinc/26/22/80/185262280.db2.gz HEWHXGWKUHXAMY-JTQLQIEISA-N 1 0 303.284 1.442 10 0 DDAERO Cc1c(CO)cccc1S(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000088876122 185267852 /nfs/dbraw/zinc/26/78/52/185267852.db2.gz SDUTXFPPVHNCTN-UHFFFAOYSA-N 1 0 312.435 1.202 10 0 DDAERO CN(Cc1cc(=O)oc2cc(Br)ccc12)C1C[NH2+]C1 ZINC000090290362 185289661 /nfs/dbraw/zinc/28/96/61/185289661.db2.gz GYGFXBVICHHBLW-UHFFFAOYSA-N 1 0 323.190 1.959 10 0 DDAERO CCn1cc(Br)cc1C(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090320957 185290936 /nfs/dbraw/zinc/29/09/36/185290936.db2.gz SBZJQKHDPMDCNR-UWVGGRQHSA-N 1 0 312.211 1.562 10 0 DDAERO CCCNS(=O)(=O)c1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000090322963 185291071 /nfs/dbraw/zinc/29/10/71/185291071.db2.gz DQBMEXTXRXKNIY-CHWSQXEVSA-N 1 0 309.435 1.031 10 0 DDAERO C[C@@H](C[NH3+])CSCCOc1ccc(S(N)(=O)=O)cc1 ZINC000090350949 185292074 /nfs/dbraw/zinc/29/20/74/185292074.db2.gz JDFFYOQEHRBGFR-JTQLQIEISA-N 1 0 304.437 1.041 10 0 DDAERO CC[C@H]([NH3+])CSCC(=O)Nc1ccsc1C(=O)OC ZINC000090356826 185292450 /nfs/dbraw/zinc/29/24/50/185292450.db2.gz YXJJBBWZYHPPRL-QMMMGPOBSA-N 1 0 302.421 1.944 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000090432860 185296131 /nfs/dbraw/zinc/29/61/31/185296131.db2.gz KBTNHPHBNKZHJE-LDYMZIIASA-N 1 0 312.753 1.284 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)NCc1cc(Br)cs1 ZINC000090438060 185296471 /nfs/dbraw/zinc/29/64/71/185296471.db2.gz GRSPSCMKUYNSSY-VHSXEESVSA-N 1 0 319.224 1.361 10 0 DDAERO CC(=O)Nc1ccc(NC(=O)[C@@]2(C)COC[C@@H]2[NH3+])cc1Cl ZINC000090586646 185305152 /nfs/dbraw/zinc/30/51/52/185305152.db2.gz QBNQDOJBNAMGRT-JSGCOSHPSA-N 1 0 311.769 1.601 10 0 DDAERO C[C@]1(C(=O)Nc2ccc3c(c2)NC(=O)CS3)COC[C@@H]1[NH3+] ZINC000090587924 185305296 /nfs/dbraw/zinc/30/52/96/185305296.db2.gz MZEYLWSPLRKFGQ-FZMZJTMJSA-N 1 0 307.375 1.033 10 0 DDAERO CCC[NH2+]C[C@H](C)c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C ZINC000092320348 185312033 /nfs/dbraw/zinc/31/20/33/185312033.db2.gz ONZTUBBEQLKASM-SMDDNHRTSA-N 1 0 313.467 1.963 10 0 DDAERO COCC[NH2+]CC(=O)N[C@@H]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000092495295 185322489 /nfs/dbraw/zinc/32/24/89/185322489.db2.gz DSMZCWFMWAURIU-GHMZBOCLSA-N 1 0 312.332 1.229 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccsc1CO ZINC000092678331 185333449 /nfs/dbraw/zinc/33/34/49/185333449.db2.gz AIFTXTOFTDQVBW-LLVKDONJSA-N 1 0 318.464 1.345 10 0 DDAERO CN(C)c1c(Cl)cccc1NC(=O)CN1CCC([NH3+])CC1 ZINC000092713762 185335957 /nfs/dbraw/zinc/33/59/57/185335957.db2.gz DERZQUKNDUQZLX-UHFFFAOYSA-N 1 0 310.829 1.768 10 0 DDAERO CC1(C)C(NS(=O)(=O)c2ccc(C[NH3+])cc2F)C1(C)C ZINC000092833292 185344876 /nfs/dbraw/zinc/34/48/76/185344876.db2.gz VZRDLDROMQQPCK-UHFFFAOYSA-N 1 0 300.399 1.997 10 0 DDAERO CC[NH2+]Cc1c(C)[nH]nc1S(=O)(=O)NC1C(C)(C)C1(C)C ZINC000092833271 185344885 /nfs/dbraw/zinc/34/48/85/185344885.db2.gz KXWXJOSGPRHKNS-UHFFFAOYSA-N 1 0 314.455 1.541 10 0 DDAERO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)NCC2C(C)(C)C2(C)C)C1 ZINC000092833183 185344975 /nfs/dbraw/zinc/34/49/75/185344975.db2.gz UPGUKZXHVBCJES-LBPRGKRZSA-N 1 0 317.499 1.434 10 0 DDAERO CCn1cnc(S(=O)(=O)N2CCC[C@H](C[NH2+]C(C)C)C2)c1 ZINC000092910549 185348623 /nfs/dbraw/zinc/34/86/23/185348623.db2.gz STJXXBNTYWAWEH-CYBMUJFWSA-N 1 0 314.455 1.302 10 0 DDAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000092951850 185350343 /nfs/dbraw/zinc/35/03/43/185350343.db2.gz JYENTUFMYDSISX-ONGXEEELSA-N 1 0 305.769 1.857 10 0 DDAERO C[NH+](C)CC1CCN(S(=O)(=O)Cc2ccccc2N)CC1 ZINC000050102644 190678731 /nfs/dbraw/zinc/67/87/31/190678731.db2.gz WDIUTYKFXGDEJW-UHFFFAOYSA-N 1 0 311.451 1.372 10 0 DDAERO C[NH+]1CCN(CCNC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000109119432 185552548 /nfs/dbraw/zinc/55/25/48/185552548.db2.gz MUYBFCHRQXFKKQ-KBPBESRZSA-N 1 0 323.387 1.432 10 0 DDAERO CC[C@H]([NH3+])Cc1cc(F)c(N2CCS(=O)(=O)CC2)c(F)c1 ZINC000111494381 185609206 /nfs/dbraw/zinc/60/92/06/185609206.db2.gz GUABUEMKNHZZPB-NSHDSACASA-N 1 0 318.389 1.479 10 0 DDAERO CCC[NH2+]CC1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000111718968 185630351 /nfs/dbraw/zinc/63/03/51/185630351.db2.gz FSJDDVBIUJGTQB-UHFFFAOYSA-N 1 0 311.451 1.550 10 0 DDAERO CC(C)(C)[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N1CCCCC1 ZINC000111720990 185631563 /nfs/dbraw/zinc/63/15/63/185631563.db2.gz UXIWCWFDTXZFIY-AWEZNQCLSA-N 1 0 317.499 1.960 10 0 DDAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](c2nnc[nH]2)CC1 ZINC000616629726 362763372 /nfs/dbraw/zinc/76/33/72/362763372.db2.gz UENNOCKWQKSJPR-LBPRGKRZSA-N 1 0 309.414 1.899 10 0 DDAERO C[C@H]1CN(S(=O)(=O)CC[NH2+]C2CCCCCC2)C[C@H](C)O1 ZINC000069785885 190817660 /nfs/dbraw/zinc/81/76/60/190817660.db2.gz PPKMBWSUGNKFTM-KBPBESRZSA-N 1 0 318.483 1.738 10 0 DDAERO CCCC(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261740856 282594429 /nfs/dbraw/zinc/59/44/29/282594429.db2.gz LVEYLWSVRLJYCC-RBSFLKMASA-N 1 0 309.454 1.516 10 0 DDAERO CCCn1cc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])nc1C ZINC000070177403 190868198 /nfs/dbraw/zinc/86/81/98/190868198.db2.gz AARBFGZOYMUJAG-AAEUAGOBSA-N 1 0 314.455 1.349 10 0 DDAERO CC[C@H](C[NH3+])NS(=O)(=O)c1ccccc1Br ZINC000083566330 192373191 /nfs/dbraw/zinc/37/31/91/192373191.db2.gz UHRYLLASOODYMN-MRVPVSSYSA-N 1 0 307.213 1.465 10 0 DDAERO Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCC[NH+](C(C)C)C(C)C ZINC000083692816 192378474 /nfs/dbraw/zinc/37/84/74/192378474.db2.gz HOYHUNDMFQQIAB-AWEZNQCLSA-N 1 0 322.457 1.839 10 0 DDAERO CC(C)(CCn1cc(I)cn1)C(N)=[NH2+] ZINC000083639884 192376825 /nfs/dbraw/zinc/37/68/25/192376825.db2.gz YPSDBWGXOQLCCI-UHFFFAOYSA-N 1 0 306.151 1.840 10 0 DDAERO CS(=O)(=O)c1ccc([S@](=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000084056062 192397568 /nfs/dbraw/zinc/39/75/68/192397568.db2.gz CBLNTTWVPNYXPY-ZJNRKIDTSA-N 1 0 301.433 1.468 10 0 DDAERO CCC[NH2+][C@@H](C)CC[S@@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084056400 192397736 /nfs/dbraw/zinc/39/77/36/192397736.db2.gz CONYOAWJLZJURN-BUXKBTBVSA-N 1 0 317.476 1.976 10 0 DDAERO CC(C)(C)[NH2+]CC[S@@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084055839 192397764 /nfs/dbraw/zinc/39/77/64/192397764.db2.gz CQJCFWFRHLSFGF-SFHVURJKSA-N 1 0 303.449 1.586 10 0 DDAERO COC(=O)CS(=O)(=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000084271170 192418629 /nfs/dbraw/zinc/41/86/29/192418629.db2.gz MENJEKHCLICHOF-IJLUTSLNSA-N 1 0 305.440 1.364 10 0 DDAERO CCC[NH2+][C@](C)(C[C@@H](C)Sc1nnc(C)s1)C(N)=O ZINC000084350907 192423965 /nfs/dbraw/zinc/42/39/65/192423965.db2.gz VCGKUAMZIIFSTP-PRHODGIISA-N 1 0 302.469 1.961 10 0 DDAERO C[NH2+][C@H]1CC[C@H](S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000084434041 192430274 /nfs/dbraw/zinc/43/02/74/192430274.db2.gz VJGBPAXJQKTTOP-GWCFXTLKSA-N 1 0 317.432 1.004 10 0 DDAERO CCOC(=O)NCCCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000152482951 186078325 /nfs/dbraw/zinc/07/83/25/186078325.db2.gz PUPFCWSMUKOYOE-OAHLLOKOSA-N 1 0 321.421 1.932 10 0 DDAERO CCc1ccccc1CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000155779962 186111895 /nfs/dbraw/zinc/11/18/95/186111895.db2.gz TXLISJYFJUQEHE-INIZCTEOSA-N 1 0 305.422 1.721 10 0 DDAERO CN(C)c1cccc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000179677972 186203738 /nfs/dbraw/zinc/20/37/38/186203738.db2.gz OQYZVGPACUXGEF-AWEZNQCLSA-N 1 0 303.410 1.137 10 0 DDAERO COc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2O)c(Br)c1 ZINC000623766627 366046418 /nfs/dbraw/zinc/04/64/18/366046418.db2.gz JKTGDJDJZACDNP-OLZOCXBDSA-N 1 0 316.195 1.697 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000172355595 198084547 /nfs/dbraw/zinc/08/45/47/198084547.db2.gz QPQRLHSGSHVJST-GOSISDBHSA-N 1 0 314.433 1.761 10 0 DDAERO CN(C)C(=O)[C@@H](c1ccccc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172803815 198151995 /nfs/dbraw/zinc/15/19/95/198151995.db2.gz QBWNRUQGYKZQJS-IAGOWNOFSA-N 1 0 301.434 1.986 10 0 DDAERO CSCCC[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000173697247 198241603 /nfs/dbraw/zinc/24/16/03/198241603.db2.gz LMBGAJHEYNXWFX-MRXNPFEDSA-N 1 0 324.490 1.797 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(Cc2cc(-c3ccco3)on2)CC1 ZINC000174095148 198291330 /nfs/dbraw/zinc/29/13/30/198291330.db2.gz LXLIAHOHFCJQIO-AWEZNQCLSA-N 1 0 305.378 1.823 10 0 DDAERO O=C1CCCN1C[C@@H](O)CN1CC[NH+](CC2CCCCC2)CC1 ZINC000111685394 353968343 /nfs/dbraw/zinc/96/83/43/353968343.db2.gz QHKZXJKBOTVUPW-KRWDZBQOSA-N 1 0 323.481 1.168 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cnc(C2CC2)nc1 ZINC000120000590 354008623 /nfs/dbraw/zinc/00/86/23/354008623.db2.gz UMHHICUOITUESD-NSHDSACASA-N 1 0 319.409 1.139 10 0 DDAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCC(Cn3cccn3)CC2)C1 ZINC000130015499 354088356 /nfs/dbraw/zinc/08/83/56/354088356.db2.gz QNXLKMNTTLKFTH-CVEARBPZSA-N 1 0 319.453 1.787 10 0 DDAERO CC[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000129602283 354084144 /nfs/dbraw/zinc/08/41/44/354084144.db2.gz TYMLLELJGRUMJU-IHRRRGAJSA-N 1 0 314.474 1.565 10 0 DDAERO CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)C[NH2+]C1CC1 ZINC000154655768 354207407 /nfs/dbraw/zinc/20/74/07/354207407.db2.gz YZHHESLGNXZRPE-AWEZNQCLSA-N 1 0 323.462 1.332 10 0 DDAERO CCCC(=O)NCc1ccc(OC[C@H](O)C[NH2+]C(C)C)cc1 ZINC000169335448 354251767 /nfs/dbraw/zinc/25/17/67/354251767.db2.gz GYWKMEBLZNJXNI-OAHLLOKOSA-N 1 0 308.422 1.841 10 0 DDAERO Cn1cnnc1[C@@H]1CN(C[C@H](O)c2ccccc2Cl)CCO1 ZINC000328620856 354548598 /nfs/dbraw/zinc/54/85/98/354548598.db2.gz ADQRTKWGEZFZAU-KBPBESRZSA-N 1 0 322.796 1.575 10 0 DDAERO CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000397472319 354654561 /nfs/dbraw/zinc/65/45/61/354654561.db2.gz WTBNEQDLYTYCTK-WDEREUQCSA-N 1 0 300.399 1.912 10 0 DDAERO C[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccc(NC(N)=O)cc1 ZINC000261858144 299233466 /nfs/dbraw/zinc/23/34/66/299233466.db2.gz FMGOARAXMBQTLG-DRZSPHRISA-N 1 0 304.394 1.872 10 0 DDAERO CC[NH2+][C@H](C)c1csc(N(C)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000080805031 192192910 /nfs/dbraw/zinc/19/29/10/192192910.db2.gz IQVFFCWJMJNNDW-NXEZZACHSA-N 1 0 303.453 1.437 10 0 DDAERO C[C@H]1CCC[C@@]([NH3+])(C(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 ZINC000080907994 192199047 /nfs/dbraw/zinc/19/90/47/192199047.db2.gz BFFMPWHPIYIEGC-NHYWBVRUSA-N 1 0 310.419 1.936 10 0 DDAERO CCS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCCC[NH2+]2)cc1 ZINC000080994789 192209790 /nfs/dbraw/zinc/20/97/90/192209790.db2.gz YEOHEPDLDOVQOP-AWEZNQCLSA-N 1 0 310.419 1.951 10 0 DDAERO COC(=O)CNC(=O)[C@@H](C)[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000183640417 291090077 /nfs/dbraw/zinc/09/00/77/291090077.db2.gz BJHUAIIQUOXHTJ-VXHVZIFVSA-N 1 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/nfs/dbraw/zinc/54/53/63/192545363.db2.gz BHILZLSKHJPPSW-OTYXRUKQSA-N 1 0 317.382 1.538 10 0 DDAERO CC(C)[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CCS(=O)(=O)C1 ZINC000086261587 192556969 /nfs/dbraw/zinc/55/69/69/192556969.db2.gz OGVPFNWODDNQEY-SOUVJXGZSA-N 1 0 316.511 1.766 10 0 DDAERO C[NH+](C)C[C@H]1C[C@@H](O)CN1c1nc(Br)cs1 ZINC000086291335 192559601 /nfs/dbraw/zinc/55/96/01/192559601.db2.gz FFTUZLVAGWFJJH-HTQZYQBOSA-N 1 0 306.229 1.407 10 0 DDAERO [NH3+]C[C@@H](SC[C@H](O)CO)c1cccc(Br)c1 ZINC000086659474 192588636 /nfs/dbraw/zinc/58/86/36/192588636.db2.gz XZICQFRYADMGPJ-GHMZBOCLSA-N 1 0 306.225 1.535 10 0 DDAERO CN(C(=O)C[C@@H](NC(N)=O)c1cccs1)C1CC[NH2+]CC1 ZINC000237081821 202146304 /nfs/dbraw/zinc/14/63/04/202146304.db2.gz PMVXBPJIOPUGCH-LLVKDONJSA-N 1 0 310.423 1.058 10 0 DDAERO CCCN(CCC)S(=O)(=O)c1cnn(CC[NH2+]C(C)C)c1 ZINC000088914831 192654604 /nfs/dbraw/zinc/65/46/04/192654604.db2.gz FCJMVAWNTVDCGN-UHFFFAOYSA-N 1 0 316.471 1.692 10 0 DDAERO 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1.632 10 0 DDAERO CCC[C@@H](C(N)=S)[NH+]1CCN(Cc2cnn(CC)c2)CC1 ZINC000109470197 194267581 /nfs/dbraw/zinc/26/75/81/194267581.db2.gz BFKFOGKXLFZLBN-AWEZNQCLSA-N 1 0 309.483 1.475 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCCC3)C2)s1 ZINC000110389723 194327135 /nfs/dbraw/zinc/32/71/35/194327135.db2.gz DYJGXUONYORYGL-LLVKDONJSA-N 1 0 315.464 1.066 10 0 DDAERO COCCC[NH2+]C[C@@H](C)Oc1ccc(S(C)(=O)=O)cc1 ZINC000053589080 183907119 /nfs/dbraw/zinc/90/71/19/183907119.db2.gz IHAJBYGFPWIAEJ-GFCCVEGCSA-N 1 0 301.408 1.484 10 0 DDAERO NC(=S)c1ccc(CC(=O)N[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000110613279 194343123 /nfs/dbraw/zinc/34/31/23/194343123.db2.gz DCRQLVMGXUEUIP-AWEZNQCLSA-N 1 0 303.431 1.074 10 0 DDAERO C[N@@H+]1CCN(c2ncc(Br)cc2CO)CC1(C)C ZINC000110733326 194355226 /nfs/dbraw/zinc/35/52/26/194355226.db2.gz KJZRXZDOQPMHSJ-UHFFFAOYSA-N 1 0 314.227 1.867 10 0 DDAERO CC[N@@H+]1CCN(CC(=O)Nc2cc(N)ccc2Cl)C[C@@H]1C ZINC000110702415 194351261 /nfs/dbraw/zinc/35/12/61/194351261.db2.gz 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CCO[C@@H]1C[C@H]([NH2+]CCN(C)CCCOC)C12CCOCC2 ZINC000186358634 286386241 /nfs/dbraw/zinc/38/62/41/286386241.db2.gz DPYQTIFZBRLVFI-JKSUJKDBSA-N 1 0 314.470 1.519 10 0 DDAERO c1cncc(-c2noc(-c3ccnc(N4CCC[NH2+]CC4)c3)n2)c1 ZINC000070458224 406817446 /nfs/dbraw/zinc/81/74/46/406817446.db2.gz SYLQHNAMTOGVKM-UHFFFAOYSA-N 1 0 322.372 1.993 10 0 DDAERO CC(C)(C)c1cc(CN2CC[C@H]3[NH2+]CCC[C@]3(CO)C2)[nH]n1 ZINC000072144826 406873550 /nfs/dbraw/zinc/87/35/50/406873550.db2.gz HJDYZMTXJWNWIP-RHSMWYFYSA-N 1 0 306.454 1.644 10 0 DDAERO CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCC[NH+](C)C ZINC000045164569 407039573 /nfs/dbraw/zinc/03/95/73/407039573.db2.gz NWDQYJFWRFSAMY-GDBMZVCRSA-N 1 0 319.449 1.899 10 0 DDAERO O=C(c1cncc(Br)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000049515917 407121522 /nfs/dbraw/zinc/12/15/22/407121522.db2.gz LDKSWERYBAUTHY-GFCCVEGCSA-N 1 0 310.195 1.764 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCC(=O)Nc2cccc(F)c2)C1 ZINC000051717747 407142092 /nfs/dbraw/zinc/14/20/92/407142092.db2.gz 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COC[C@H](O)C[N@@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000195260252 407445164 /nfs/dbraw/zinc/44/51/64/407445164.db2.gz YWOADZJOTCXTFB-ZIAGYGMSSA-N 1 0 313.467 1.213 10 0 DDAERO Cc1nc([C@H]2CCCN(C(=O)C3([NH3+])CCOCC3)C2)sc1C ZINC000261675667 407574227 /nfs/dbraw/zinc/57/42/27/407574227.db2.gz CFHKOYVCFVSNDN-ZDUSSCGKSA-N 1 0 323.462 1.974 10 0 DDAERO CC[N@H+](CC(=O)N1CCC[C@H](Cc2noc(C)n2)C1)C1CC1 ZINC000152164588 407576175 /nfs/dbraw/zinc/57/61/75/407576175.db2.gz ZFRNATSJOVAGJX-CYBMUJFWSA-N 1 0 306.410 1.643 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C)Cc1ccc(F)cc1 ZINC000113518452 407511580 /nfs/dbraw/zinc/51/15/80/407511580.db2.gz WUNJYSLATIIUIS-WMLDXEAASA-N 1 0 319.424 1.953 10 0 DDAERO CC[C@@H]1CN(C(=O)[C@@H](C)C2CCOCC2)CC[N@@H+]1CCOC ZINC000152339503 407612565 /nfs/dbraw/zinc/61/25/65/407612565.db2.gz BUBHEAMQWPRDBH-GOEBONIOSA-N 1 0 312.454 1.618 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(-n3ccnn3)cc2)C1 ZINC000171158046 407614917 /nfs/dbraw/zinc/61/49/17/407614917.db2.gz VSJGQJHVPSZPLX-AWEZNQCLSA-N 1 0 314.393 1.873 10 0 DDAERO COC(=O)c1sccc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000178824840 407616264 /nfs/dbraw/zinc/61/62/64/407616264.db2.gz LEWVTZGWLSYHRE-JTQLQIEISA-N 1 0 309.391 1.847 10 0 DDAERO CCC[C@H]([NH3+])C(=O)NCCC1CCN(CC(F)(F)F)CC1 ZINC000178851135 407624744 /nfs/dbraw/zinc/62/47/44/407624744.db2.gz PQUNFHRAVKGWME-LBPRGKRZSA-N 1 0 309.376 1.894 10 0 DDAERO CN(C)C(=O)c1cc(NC(=O)[C@@H]([NH3+])C2CCOCC2)ccc1F ZINC000261829961 407633132 /nfs/dbraw/zinc/63/31/32/407633132.db2.gz IFNCHRRTPKHJSP-AWEZNQCLSA-N 1 0 323.368 1.220 10 0 DDAERO CCC[C@H](C(=O)NCCCNC(=O)c1cccc(O)c1)[NH+](C)C ZINC000130045260 407645391 /nfs/dbraw/zinc/64/53/91/407645391.db2.gz XONHONQDWBVXDX-OAHLLOKOSA-N 1 0 321.421 1.359 10 0 DDAERO Cc1cnn(C[C@H]2CN(CCNC(=O)OC(C)(C)C)CCO2)c1 ZINC000130264710 407669591 /nfs/dbraw/zinc/66/95/91/407669591.db2.gz WOSYYYZNFYZVIJ-CQSZACIVSA-N 1 0 324.425 1.417 10 0 DDAERO CN1CCO[C@H](CNC(=O)CCCc2ccc(F)c(F)c2)C1 ZINC000130270165 407669833 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Cc1ccc2c(C[N@@H+]3C[C@H](O)C[C@@H]3CO)cc(=O)oc2c1C ZINC000179182973 407747207 /nfs/dbraw/zinc/74/72/07/407747207.db2.gz BLWJBLCMXNWTQQ-ZIAGYGMSSA-N 1 0 303.358 1.337 10 0 DDAERO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1nnc(C2CC2)n1C ZINC000179253849 407761276 /nfs/dbraw/zinc/76/12/76/407761276.db2.gz KHCSZHKAFRHVAV-UHFFFAOYSA-N 1 0 320.485 1.150 10 0 DDAERO COC[C@H]([NH3+])C(=O)N1CCc2cccc(Br)c2C1 ZINC000262191026 407762905 /nfs/dbraw/zinc/76/29/05/407762905.db2.gz CGVNLDFRFIVZRL-LBPRGKRZSA-N 1 0 313.195 1.308 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)CCO1 ZINC000116786314 407775486 /nfs/dbraw/zinc/77/54/86/407775486.db2.gz OALDRJBCNXPAHM-QFQXCOSMSA-N 1 0 306.450 1.992 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)CSCc2cccnc2)CCO1 ZINC000116788956 407776205 /nfs/dbraw/zinc/77/62/05/407776205.db2.gz BNDZKYSFGHIKRH-AWEZNQCLSA-N 1 0 309.435 1.104 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000262211567 407767848 /nfs/dbraw/zinc/76/78/48/407767848.db2.gz DXVLSNVUHGAAFA-IINYFYTJSA-N 1 0 305.378 1.186 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2nc(Cl)ccc2Cl)CCO1 ZINC000116794115 407779595 /nfs/dbraw/zinc/77/95/95/407779595.db2.gz MGZBDHAZSMDPDC-SECBINFHSA-N 1 0 318.204 1.791 10 0 DDAERO C[N@H+](CCOCCO)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000132522687 407788701 /nfs/dbraw/zinc/78/87/01/407788701.db2.gz LQZKABRPVFISMH-KBPBESRZSA-N 1 0 320.216 1.892 10 0 DDAERO C[C@@]1(CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)CCCS1 ZINC000153290131 407795749 /nfs/dbraw/zinc/79/57/49/407795749.db2.gz BYDKJJIPTFREEV-ZFWWWQNUSA-N 1 0 315.483 1.418 10 0 DDAERO CCC[C@H](C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)N(C)C ZINC000179514141 407799217 /nfs/dbraw/zinc/79/92/17/407799217.db2.gz QKQXWUSGSFFJSF-GFCCVEGCSA-N 1 0 304.350 1.699 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)NCc2ccncc2)C[C@H]1CC ZINC000117021960 407806783 /nfs/dbraw/zinc/80/67/83/407806783.db2.gz HLVZOKHISMZJJC-MRXNPFEDSA-N 1 0 320.437 1.724 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccc(Cl)nc2)CCO1 ZINC000117035796 407807516 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C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000638010727 422552140 /nfs/dbraw/zinc/55/21/40/422552140.db2.gz LXMOZWMPNUEBRY-QMCVQRASSA-N 1 0 320.433 1.586 10 0 DDAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCCn2ccnn2)C1 ZINC000181984316 263372044 /nfs/dbraw/zinc/37/20/44/263372044.db2.gz SBCFLHSRCJRVPR-CQSZACIVSA-N 1 0 323.441 1.905 10 0 DDAERO O=C1NCC[C@H]1[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000658052454 424583380 /nfs/dbraw/zinc/58/33/80/424583380.db2.gz KZTZVJFGMKQHAT-JGVFFNPUSA-N 1 0 301.209 1.976 10 0 DDAERO COCC[N@@H+]1CCN(c2ncnc3c(F)cccc32)C[C@@H]1C ZINC000302656980 274032134 /nfs/dbraw/zinc/03/21/34/274032134.db2.gz HNHPHJQUDCIXSY-LBPRGKRZSA-N 1 0 304.369 1.926 10 0 DDAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(Br)cn1C ZINC000229584503 274418587 /nfs/dbraw/zinc/41/85/87/274418587.db2.gz GCEIYTSTPDVUAJ-WPRPVWTQSA-N 1 0 300.200 1.658 10 0 DDAERO CC1CCC([NH2+]CCN2CCN(c3ncccn3)CC2)CC1 ZINC000123650072 276191391 /nfs/dbraw/zinc/19/13/91/276191391.db2.gz ZNXBECHUPURGRH-UHFFFAOYSA-N 1 0 303.454 1.767 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)[C@H]2CSc3ccccc32)CCO1 ZINC000118345338 276805488 /nfs/dbraw/zinc/80/54/88/276805488.db2.gz YPTLIJGXYGASRE-JSGCOSHPSA-N 1 0 306.431 1.665 10 0 DDAERO C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CCN(c3ncc(F)cn3)C2)C1 ZINC000096220089 277202713 /nfs/dbraw/zinc/20/27/13/277202713.db2.gz NDQUYKMDKHEQMH-RHSMWYFYSA-N 1 0 320.412 1.800 10 0 DDAERO CO[C@H]1CCN(CC(=O)Nc2c(C)cc(C)cc2C)[C@@H](C[NH3+])C1 ZINC000261895471 277743127 /nfs/dbraw/zinc/74/31/27/277743127.db2.gz OHCKRTFFJPZQLF-CVEARBPZSA-N 1 0 319.449 1.988 10 0 DDAERO COc1ccccc1N1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261853570 278053683 /nfs/dbraw/zinc/05/36/83/278053683.db2.gz WCVHCFGEFBSIET-RBSFLKMASA-N 1 0 317.433 1.765 10 0 DDAERO COc1nc(N2CC[C@H](C)[C@H](C[NH3+])C2)ncc1Br ZINC000261561331 278084864 /nfs/dbraw/zinc/08/48/64/278084864.db2.gz FVRSQDKPJDJTGF-DTWKUNHWSA-N 1 0 315.215 1.669 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)CC(=O)NC(C)(C)C ZINC000121668618 279122335 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[NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000173333846 295271160 /nfs/dbraw/zinc/27/11/60/295271160.db2.gz OLFNSAXUFFVPEU-YPMHNXCESA-N 1 0 322.386 1.199 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000246965462 297095522 /nfs/dbraw/zinc/09/55/22/297095522.db2.gz DMBGOVVQYGSICS-BRXULGCHSA-N 1 0 323.462 1.136 10 0 DDAERO C[C@H](C(=O)N1CC[C@@H](N2CCOCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246888852 298076571 /nfs/dbraw/zinc/07/65/71/298076571.db2.gz HBTJZQIBASWREW-QKPAOTATSA-N 1 0 309.454 1.181 10 0 DDAERO C[C@H](C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1)[NH+]1CCCCCC1 ZINC000173981964 298094746 /nfs/dbraw/zinc/09/47/46/298094746.db2.gz GKMWVRUCXGKPDK-ZACQAIPSSA-N 1 0 323.481 1.430 10 0 DDAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCCCN1CCOC1=O ZINC000171102116 298228780 /nfs/dbraw/zinc/22/87/80/298228780.db2.gz IYUXVEGHPBKIPT-ZDUSSCGKSA-N 1 0 314.430 1.104 10 0 DDAERO C[C@H](C[S@](C)=O)[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400741244 302370390 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Cc1nc(-c2ccccc2)c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)s1 ZINC000262284067 484267407 /nfs/dbraw/zinc/26/74/07/484267407.db2.gz ODEUMKKPTNTFTA-CHWSQXEVSA-N 1 0 317.414 1.429 10 0 DDAERO Cc1cc2occ(CC(=O)NC[C@H]3C[NH2+]C[C@@H]3O)c2cc1C ZINC000262316237 484268270 /nfs/dbraw/zinc/26/82/70/484268270.db2.gz QVPCEQLPXGIEAL-HIFRSBDPSA-N 1 0 302.374 1.289 10 0 DDAERO O=C(COc1c(Cl)cccc1Cl)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262368392 484270271 /nfs/dbraw/zinc/27/02/71/484270271.db2.gz VXQGDRUDJLSRIJ-KCJUWKMLSA-N 1 0 319.188 1.069 10 0 DDAERO CC(=O)Nc1nc(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)cs1 ZINC000662984468 484585102 /nfs/dbraw/zinc/58/51/02/484585102.db2.gz RYCVWHWBQZGMTM-ZETCQYMHSA-N 1 0 310.301 1.063 10 0 DDAERO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(F)c1F ZINC000156628425 522088125 /nfs/dbraw/zinc/08/81/25/522088125.db2.gz JNMCLKGPAKTWCX-MRVPVSSYSA-N 1 0 308.325 1.476 10 0 DDAERO COC[C@H](C)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154617701 522547988 /nfs/dbraw/zinc/54/79/88/522547988.db2.gz IDQLUOKJXVCKRY-LSVZVQIISA-N 1 0 309.454 1.038 10 0 DDAERO C[C@@H](C[N@@H+]1CC[C@H](CNc2ccccn2)C1)CS(C)(=O)=O ZINC000163351372 524633167 /nfs/dbraw/zinc/63/31/67/524633167.db2.gz STLGPSFCXGADAH-UONOGXRCSA-N 1 0 311.451 1.496 10 0 DDAERO CCOCC[N@@H+]1CCN(C[C@H](O)c2ccc(F)cc2)C[C@@H]1C ZINC000105835174 696625005 /nfs/dbraw/zinc/62/50/05/696625005.db2.gz MIIYLXWWGYAJLV-YOEHRIQHSA-N 1 0 310.413 1.902 10 0 DDAERO CCCCC[C@H](C(=O)NC[C@H](O)CN1CCOCC1)C(C)C ZINC000133009137 696821343 /nfs/dbraw/zinc/82/13/43/696821343.db2.gz MZOIZQGBPBQSRL-HOTGVXAUSA-N 1 0 314.470 1.648 10 0 DDAERO c1cc(-c2ccncc2)n(CN2CC[C@@H](N3CCOCC3)C2)n1 ZINC000172959071 697374507 /nfs/dbraw/zinc/37/45/07/697374507.db2.gz CYOMQENAFMWOJW-MRXNPFEDSA-N 1 0 313.405 1.309 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1nc(C(F)(F)F)ccc1=O ZINC000178892931 697430071 /nfs/dbraw/zinc/43/00/71/697430071.db2.gz HKGXADZBKWFZIL-WDEREUQCSA-N 1 0 316.327 1.388 10 0 DDAERO COC(=O)N[C@@H](C(=O)NCC[C@@H](C)[NH+]1CCCCC1)C(C)C ZINC000183135037 697483811 /nfs/dbraw/zinc/48/38/11/697483811.db2.gz XVFPAPOGBASFBY-ZIAGYGMSSA-N 1 0 313.442 1.748 10 0 DDAERO Cn1nccc1CCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000184491434 697503762 /nfs/dbraw/zinc/50/37/62/697503762.db2.gz FVJYKCSCGHYHLO-MRXNPFEDSA-N 1 0 315.421 1.565 10 0 DDAERO COCc1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1 ZINC000192527860 697631629 /nfs/dbraw/zinc/63/16/29/697631629.db2.gz BMPABZZGISRVST-UONOGXRCSA-N 1 0 321.421 1.752 10 0 DDAERO O=C(c1ccc2c(c1)OCO2)N(C(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000223182414 697760813 /nfs/dbraw/zinc/76/08/13/697760813.db2.gz RBUMCEVTUHPTKB-GFCCVEGCSA-N 1 0 316.357 1.546 10 0 DDAERO C[C@@H]1CN(C(=O)c2ccnc(Br)c2)C[C@H]1[NH+](C)C ZINC000229622459 697778959 /nfs/dbraw/zinc/77/89/59/697778959.db2.gz RMILECCAEXURBQ-MWLCHTKSSA-N 1 0 312.211 1.866 10 0 DDAERO Cn1ncc(N[C@@H](C[NH3+])C2CCCC2)c(Br)c1=O ZINC000236102934 697795446 /nfs/dbraw/zinc/79/54/46/697795446.db2.gz DCDGNRJUHKAORK-VIFPVBQESA-N 1 0 315.215 1.472 10 0 DDAERO [NH3+][C@@H]1CC[C@H](C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)C1 ZINC000237993869 697815541 /nfs/dbraw/zinc/81/55/41/697815541.db2.gz NMZQRDULMVXEMR-WDEREUQCSA-N 1 0 321.343 1.031 10 0 DDAERO CC[C@@H]1CN(C(=O)c2ccc(NC=O)cc2)CC[N@@H+]1C[C@H](C)O ZINC000245412318 697822959 /nfs/dbraw/zinc/82/29/59/697822959.db2.gz AJDAEBYJBFEEER-XJKSGUPXSA-N 1 0 319.405 1.172 10 0 DDAERO COCCN1[C@H](C)C[N@@H+](C[C@@](C)(O)c2ccccc2)C[C@@H]1C ZINC000246683386 698353578 /nfs/dbraw/zinc/35/35/78/698353578.db2.gz LXXDWSZQIDZXLE-SOLBZPMBSA-N 1 0 306.450 1.935 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@](C)(O)c2ccccc2)C1 ZINC000246782955 698355081 /nfs/dbraw/zinc/35/50/81/698355081.db2.gz QQJYOGNVRVGNCN-DOTOQJQBSA-N 1 0 305.422 1.678 10 0 DDAERO CCOC(=O)c1cn(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)nc1C ZINC000247163043 698362090 /nfs/dbraw/zinc/36/20/90/698362090.db2.gz STMUVBZNMYQSJM-TZMCWYRMSA-N 1 0 306.410 1.494 10 0 DDAERO CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000248884354 698382524 /nfs/dbraw/zinc/38/25/24/698382524.db2.gz UDTAWWYBPRFZSV-AJNGGQMLSA-N 1 0 309.454 1.528 10 0 DDAERO CC[NH+](CC)[C@H](C)CNC=C1c2ccccc2C(=O)NC1=O ZINC000255295321 698414970 /nfs/dbraw/zinc/41/49/70/698414970.db2.gz CSEHLCQYDNEJHR-QJMZJAKPSA-N 1 0 301.390 1.617 10 0 DDAERO C[C@H](O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc1 ZINC000261938428 698445785 /nfs/dbraw/zinc/44/57/85/698445785.db2.gz MNNPDWFRQYKOEW-VIBAHUMZSA-N 1 0 304.434 1.987 10 0 DDAERO Cc1c(S(=O)(=O)N[C@H]2CCC[C@H]2C[NH3+])c2ccccc2n1C ZINC000261993074 698449756 /nfs/dbraw/zinc/44/97/56/698449756.db2.gz FFNXKKBURPALMO-JSGCOSHPSA-N 1 0 321.446 1.892 10 0 DDAERO COC[C@H]([NH3+])C(=O)N(CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000262035607 698451789 /nfs/dbraw/zinc/45/17/89/698451789.db2.gz FOGFGWJJHRDVML-GJZGRUSLSA-N 1 0 312.385 1.317 10 0 DDAERO CN(Cc1nc2ccccc2n1C)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000262108780 698455099 /nfs/dbraw/zinc/45/50/99/698455099.db2.gz VLMAOXCGFFSVLI-INIZCTEOSA-N 1 0 316.405 1.286 10 0 DDAERO CC(=O)N1CCC([NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC000309969311 698668801 /nfs/dbraw/zinc/66/88/01/698668801.db2.gz HVMBBQKFWLTHJD-GFCCVEGCSA-N 1 0 313.442 1.842 10 0 DDAERO COC[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C(C)C ZINC000702851539 699234551 /nfs/dbraw/zinc/23/45/51/699234551.db2.gz NPFGFVXUZMBYMG-MELADBBJSA-N 1 0 316.442 1.475 10 0 DDAERO C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1cnccn1 ZINC000705769763 699242307 /nfs/dbraw/zinc/24/23/07/699242307.db2.gz XGJYMXKANPZGHN-OUCADQQQSA-N 1 0 322.409 1.355 10 0 DDAERO C[C@@H]1CN(c2ccc(S(=O)(=O)C(F)F)cc2)C[C@H]1C[NH3+] ZINC000708061018 699248380 /nfs/dbraw/zinc/24/83/80/699248380.db2.gz BGICQDMWNJJDQS-NXEZZACHSA-N 1 0 304.362 1.714 10 0 DDAERO C[C@H](O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000711028748 699255775 /nfs/dbraw/zinc/25/57/75/699255775.db2.gz DWKAIWYAKDBAII-CYDGBPFRSA-N 1 0 302.415 1.370 10 0 DDAERO COC1CC(C[N@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000711736526 699259812 /nfs/dbraw/zinc/25/98/12/699259812.db2.gz FFRDQDNTROKILE-CTWPCTMYSA-N 1 0 318.461 1.980 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cn(C)nc1Br ZINC000713880502 699267844 /nfs/dbraw/zinc/26/78/44/699267844.db2.gz MSFWQLXJKFFXNZ-PWSUYJOCSA-N 1 0 313.243 1.851 10 0 DDAERO CN(Cc1ccc(Cl)s1)C(=O)[C@]12C[NH2+]C[C@H]1COCC2 ZINC000715442484 699275074 /nfs/dbraw/zinc/27/50/74/699275074.db2.gz AJSRMAHJIABWNJ-IINYFYTJSA-N 1 0 314.838 1.986 10 0 DDAERO Cc1nc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)sc1Br ZINC000719257218 699299712 /nfs/dbraw/zinc/29/97/12/699299712.db2.gz NHZKELGIMPKAMG-POYBYMJQSA-N 1 0 318.240 1.971 10 0 DDAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000723580551 699321163 /nfs/dbraw/zinc/32/11/63/699321163.db2.gz FNVKZNBWHWPHGN-NWDGAFQWSA-N 1 0 311.426 1.310 10 0 DDAERO COc1nc(NC[C@@H]2C[NH2+]C[C@H]2C)ncc1Br ZINC000723792585 699322042 /nfs/dbraw/zinc/32/20/42/699322042.db2.gz JWFNXSFQMPPIOB-SFYZADRCSA-N 1 0 301.188 1.515 10 0 DDAERO CN(C[C@H]1CC[N@H+](C)C1)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724108681 699324959 /nfs/dbraw/zinc/32/49/59/699324959.db2.gz IQUWTFAHOFYGES-UWVGGRQHSA-N 1 0 304.303 1.819 10 0 DDAERO C[N@@H+]1CCC[C@@H]1[C@](C)(O)c1ccc(OCC2(CO)COC2)cc1 ZINC000818023834 702556987 /nfs/dbraw/zinc/55/69/87/702556987.db2.gz ACECFIOXKPEHGU-IAGOWNOFSA-N 1 0 321.417 1.376 10 0 DDAERO CCn1ccnc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCN(CCOC)C1 ZINC000850375929 703728264 /nfs/dbraw/zinc/72/82/64/703728264.db2.gz PFROOAZTTLLSOS-ARFHVFGLSA-N 1 0 322.453 1.291 10 0 DDAERO CC(=O)N1C[C@H]([NH2+]CC2=CCCOC2)CC[C@@H]1C(F)(F)F ZINC000886072058 708692736 /nfs/dbraw/zinc/69/27/36/708692736.db2.gz MRGYVJLWIHNDJY-CHWSQXEVSA-N 1 0 306.328 1.865 10 0 DDAERO CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000888077763 709210218 /nfs/dbraw/zinc/21/02/18/709210218.db2.gz TYJUMTBVWBZDCT-ZIAGYGMSSA-N 1 0 306.410 1.430 10 0 DDAERO Cc1ccc(-c2noc(CN3CCCC[C@H]([NH3+])C3=O)n2)cn1 ZINC000888078374 709210237 /nfs/dbraw/zinc/21/02/37/709210237.db2.gz MELILDBNYZUZKA-LBPRGKRZSA-N 1 0 301.350 1.280 10 0 DDAERO C[NH+]1C[C@]2(C)CN(C(=O)c3c[nH]nc3[C@@H]3CCOC3)C[C@@]2(C)C1 ZINC000913281000 713190202 /nfs/dbraw/zinc/19/02/02/713190202.db2.gz JQIVLJPMFLQQRT-CSMYWGQOSA-N 1 0 318.421 1.327 10 0 DDAERO CCc1nnc2n1C[C@@H]([NH2+]Cc1cnc3onc(C)c3c1)CC2 ZINC000894217736 711020876 /nfs/dbraw/zinc/02/08/76/711020876.db2.gz AXMFEFMSGPXUNB-LBPRGKRZSA-N 1 0 312.377 1.790 10 0 DDAERO C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000081902321 192337201 /nfs/dbraw/zinc/33/72/01/192337201.db2.gz CGACJPDMOGWLAJ-ZBFHGGJFSA-N 1 0 310.463 1.326 10 0 DDAERO C[NH+](C)CCCNC(=O)CSCCNC(=O)OC(C)(C)C ZINC000096746640 185386157 /nfs/dbraw/zinc/38/61/57/185386157.db2.gz HRZLEVFFZYUYIH-UHFFFAOYSA-N 1 0 319.471 1.312 10 0 DDAERO [NH3+][C@H]1CCOC[C@@H]1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000081922621 192339273 /nfs/dbraw/zinc/33/92/73/192339273.db2.gz KEGQYJQZEHMONX-ONGXEEELSA-N 1 0 310.202 1.883 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(F)nc2)C1 ZINC000164025147 197652209 /nfs/dbraw/zinc/65/22/09/197652209.db2.gz JCZDUHOJHBLODT-PWSUYJOCSA-N 1 0 308.357 1.004 10 0 DDAERO CCOCC[N@@H+]1CCN(C[C@@H](O)CC(F)(F)F)C[C@H]1CC ZINC000249272643 282140130 /nfs/dbraw/zinc/14/01/30/282140130.db2.gz JKSAYOOGSFVLFV-OLZOCXBDSA-N 1 0 312.376 1.732 10 0 DDAERO CNS(=O)(=O)c1cccc(NC(=O)CC[C@H](C)CC[NH3+])c1 ZINC000079117554 185159433 /nfs/dbraw/zinc/15/94/33/185159433.db2.gz NQOMYNNGWMGJFJ-NSHDSACASA-N 1 0 313.423 1.298 10 0 DDAERO CC(C)[C@H](CC[NH3+])CCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000079255619 185162467 /nfs/dbraw/zinc/16/24/67/185162467.db2.gz VWECLDFIXYAZKL-STQMWFEESA-N 1 0 304.456 1.033 10 0 DDAERO CC(C)[C@@H](CC[NH3+])CCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000079255622 185162543 /nfs/dbraw/zinc/16/25/43/185162543.db2.gz VWECLDFIXYAZKL-OLZOCXBDSA-N 1 0 304.456 1.033 10 0 DDAERO CS(=O)(=O)c1cccc(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])c1 ZINC000079528029 185173747 /nfs/dbraw/zinc/17/37/47/185173747.db2.gz WQVGYXXHEISIHY-OAACRXHESA-N 1 0 308.403 1.402 10 0 DDAERO CC(C)[C@H](C[NH3+])NC(=O)c1ccc(Br)cc1O ZINC000087403451 185223855 /nfs/dbraw/zinc/22/38/55/185223855.db2.gz XIQBSGPMDWHTHE-JTQLQIEISA-N 1 0 301.184 1.868 10 0 DDAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000087517900 185227543 /nfs/dbraw/zinc/22/75/43/185227543.db2.gz OCBRLTBBVYNHMI-NSHDSACASA-N 1 0 313.423 1.250 10 0 DDAERO Cc1cc(CNS(=O)(=O)c2cc[nH+]c(NN)c2)sc1C ZINC000087581517 185228896 /nfs/dbraw/zinc/22/88/96/185228896.db2.gz PBOXLVLKXNPDFF-UHFFFAOYSA-N 1 0 312.420 1.524 10 0 DDAERO CC(C)(CC[NH3+])CCC(=O)NCCCOC[C@H]1CCCO1 ZINC000087699071 185230759 /nfs/dbraw/zinc/23/07/59/185230759.db2.gz CNNNSWWNXHBLAY-CQSZACIVSA-N 1 0 300.443 1.844 10 0 DDAERO CCC[NH2+]C[C@@H](C)Cc1c(C)nc(CS(C)(=O)=O)nc1C ZINC000087707320 185230843 /nfs/dbraw/zinc/23/08/43/185230843.db2.gz LKUFCHJUBKWXRX-NSHDSACASA-N 1 0 313.467 1.816 10 0 DDAERO NNc1nc(NC[C@@H]2CCCS2)c(Br)c[nH+]1 ZINC000087896150 185235733 /nfs/dbraw/zinc/23/57/33/185235733.db2.gz KMNJCQMOKCVHDA-LURJTMIESA-N 1 0 304.217 1.832 10 0 DDAERO CCOC(=O)C[C@](C)(CC(C)(C)OC)[NH+]1CCN(C)CC1 ZINC000088045950 185238110 /nfs/dbraw/zinc/23/81/10/185238110.db2.gz SIQSXNGXMRCYGU-MRXNPFEDSA-N 1 0 300.443 1.761 10 0 DDAERO C[C@@H](C[NH3+])S(=O)(=O)Cc1cc(Br)ccc1F ZINC000088068742 185238622 /nfs/dbraw/zinc/23/86/22/185238622.db2.gz HTWQXGIIEUHQIM-ZETCQYMHSA-N 1 0 310.188 1.850 10 0 DDAERO COc1ccc(Br)c(C[C@@H]([NH3+])[C@@H]2COCCO2)c1 ZINC000087857220 185233596 /nfs/dbraw/zinc/23/35/96/185233596.db2.gz UJVTWCNVSLWAKW-OLZOCXBDSA-N 1 0 316.195 1.743 10 0 DDAERO O=C(Nc1c(F)cc(Br)cc1F)[C@@H]1C[NH2+]CCO1 ZINC000088168527 185240879 /nfs/dbraw/zinc/24/08/79/185240879.db2.gz DJUXAUOYOMAHKY-VIFPVBQESA-N 1 0 321.121 1.654 10 0 DDAERO CCOC(=O)CN(CCOC)C(=O)C[C@H](C[NH3+])CC(C)C ZINC000088277284 185244705 /nfs/dbraw/zinc/24/47/05/185244705.db2.gz UNANWMLYZBJXES-CYBMUJFWSA-N 1 0 302.415 1.036 10 0 DDAERO C[NH+](C)C[C@H](NC(=O)NCCCn1ccnn1)c1ccccc1 ZINC000184758062 539244748 /nfs/dbraw/zinc/24/47/48/539244748.db2.gz UACHKKILSWEQPF-HNNXBMFYSA-N 1 0 316.409 1.270 10 0 DDAERO CCC[NH2+][C@@H]1CCCCC[C@H]1S(=O)(=O)CC(=O)OCC ZINC000081977699 192348440 /nfs/dbraw/zinc/34/84/40/192348440.db2.gz GBFPBFPIFXMMET-CHWSQXEVSA-N 1 0 305.440 1.665 10 0 DDAERO CNC(=O)[C@H]([NH2+]CCCOc1ccc2c(c1)OCO2)C(C)C ZINC000183650907 539242657 /nfs/dbraw/zinc/24/26/57/539242657.db2.gz CQQCTHVXPKDOQL-OAHLLOKOSA-N 1 0 308.378 1.544 10 0 DDAERO CNC(=O)[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)C(C)C ZINC000183644697 539242827 /nfs/dbraw/zinc/24/28/27/539242827.db2.gz LFJUEELNJYQZNE-CQSZACIVSA-N 1 0 322.796 1.208 10 0 DDAERO Cc1cc(=O)[nH]c(SC[C@H](O)[C@@H]([NH3+])Cc2ccccc2)n1 ZINC000088398308 185248395 /nfs/dbraw/zinc/24/83/95/185248395.db2.gz IDQIZBAIROMSQU-STQMWFEESA-N 1 0 305.403 1.101 10 0 DDAERO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@H]1CCCO1 ZINC000088493019 185254018 /nfs/dbraw/zinc/25/40/18/185254018.db2.gz ZYNRURYUJSXNJY-DZGCQCFKSA-N 1 0 309.410 1.920 10 0 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185332845 /nfs/dbraw/zinc/33/28/45/185332845.db2.gz HDWKGYJHNDNZCD-GFCCVEGCSA-N 1 0 312.439 1.228 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ncn(C)c1Cl ZINC000092627862 185330199 /nfs/dbraw/zinc/33/01/99/185330199.db2.gz GDUNLCCJUVUTLO-JTQLQIEISA-N 1 0 320.846 1.178 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccsc1CO ZINC000092678333 185333434 /nfs/dbraw/zinc/33/34/34/185333434.db2.gz AIFTXTOFTDQVBW-NSHDSACASA-N 1 0 318.464 1.345 10 0 DDAERO CC1(C)C(CNS(=O)(=O)N2CCC[C@H](C[NH3+])C2)C1(C)C ZINC000092833122 185344868 /nfs/dbraw/zinc/34/48/68/185344868.db2.gz LDPLUJUBUPWULQ-LLVKDONJSA-N 1 0 303.472 1.174 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(C(=O)/C=C\c2ccc(Cl)nc2)CC1 ZINC000255849667 282281746 /nfs/dbraw/zinc/28/17/46/282281746.db2.gz XCOZUNCSJKYBMW-SDQPKGBYSA-N 1 0 323.824 1.663 10 0 DDAERO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCC[C@@H](C)[NH3+] ZINC000183137909 199544021 /nfs/dbraw/zinc/54/40/21/199544021.db2.gz UOYRKUNNMJUDGG-MRVPVSSYSA-N 1 0 320.798 1.142 10 0 DDAERO CCOC1CCN(S(=O)(=O)c2ccc(CC[NH3+])s2)CC1 ZINC000040690275 190666083 /nfs/dbraw/zinc/66/60/83/190666083.db2.gz POGNOFLOKLFYPX-UHFFFAOYSA-N 1 0 318.464 1.439 10 0 DDAERO CN(Cc1cn(C)nc1C1CCCCC1)C[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000328597925 530014452 /nfs/dbraw/zinc/01/44/52/530014452.db2.gz JLMCIYWAOHZLKQ-JKSUJKDBSA-N 1 0 306.454 1.622 10 0 DDAERO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]1[NH3+] ZINC000235671322 201920449 /nfs/dbraw/zinc/92/04/49/201920449.db2.gz GIZQEAGBBOLAAC-CPCISQLKSA-N 1 0 309.218 1.961 10 0 DDAERO C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[C@]23CCOc2ccccc23)C1 ZINC000261823495 290810636 /nfs/dbraw/zinc/81/06/36/290810636.db2.gz YGTAMGRQADOGMY-SIIHOXLZSA-N 1 0 300.402 1.937 10 0 DDAERO C[NH2+][C@H](C)CNC(=O)C[C@@H](NC(C)=O)c1c(F)cccc1F ZINC000261781316 290819755 /nfs/dbraw/zinc/81/97/55/290819755.db2.gz QBZMMMNIUVUCGQ-NOZJJQNGSA-N 1 0 313.348 1.256 10 0 DDAERO Cc1nccnc1[C@@H](C)NCc1ccncc1O[C@H]1CC[NH2+]C1 ZINC000685943043 539567592 /nfs/dbraw/zinc/56/75/92/539567592.db2.gz QPUVRPZHIMMMDE-HIFRSBDPSA-N 1 0 313.405 1.772 10 0 DDAERO C[C@H]1CCC[C@H](C[NH3+])N1c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000070157228 190864014 /nfs/dbraw/zinc/86/40/14/190864014.db2.gz MCKAEOMVYMAIKY-GXTWGEPZSA-N 1 0 311.451 1.643 10 0 DDAERO C[C@H]1CC[C@@H](C[NH3+])CN1C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000070179771 190868441 /nfs/dbraw/zinc/86/84/41/190868441.db2.gz YUFCENBJRNXTMF-RYUDHWBXSA-N 1 0 310.419 1.290 10 0 DDAERO CC[C@H]1C[C@@](C[NH3+])(N2CCN(CC(F)(F)F)CC2)CCO1 ZINC000070363096 190882445 /nfs/dbraw/zinc/88/24/45/190882445.db2.gz FUNRHWFYPVIYHG-STQMWFEESA-N 1 0 309.376 1.453 10 0 DDAERO [NH3+]C1CN(C(=O)c2cccc(I)c2)C1 ZINC000083635207 192376498 /nfs/dbraw/zinc/37/64/98/192376498.db2.gz IELUNBUNMBAPPB-UHFFFAOYSA-N 1 0 302.115 1.074 10 0 DDAERO COc1ccc2c(c1)CC[C@H]([S@@](=O)C1CCOCC1)[C@@H]2[NH3+] ZINC000084053982 192397834 /nfs/dbraw/zinc/39/78/34/192397834.db2.gz OUONOCQVVQQVAS-GCKMJXCFSA-N 1 0 309.431 1.938 10 0 DDAERO CC[NH2+][C@H](CC)C[S@@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084055501 192397958 /nfs/dbraw/zinc/39/79/58/192397958.db2.gz DUIVNQMNMJLHCE-ZMZPIMSZSA-N 1 0 303.449 1.586 10 0 DDAERO CS(=O)(=O)N1CCCc2cc(C(=O)[C@H]3CCCC[NH2+]3)ccc21 ZINC000071665772 191001505 /nfs/dbraw/zinc/00/15/05/191001505.db2.gz UDNBIIQYSRPCBG-CQSZACIVSA-N 1 0 322.430 1.724 10 0 DDAERO [NH3+]C[C@@H]1c2ccc3ccccc3c2CN1CCN1CCOCC1 ZINC000071683641 191006940 /nfs/dbraw/zinc/00/69/40/191006940.db2.gz GPCUWPQSFWJWPG-LJQANCHMSA-N 1 0 311.429 1.987 10 0 DDAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2cccc3cccnc32)C1 ZINC000149519529 186050874 /nfs/dbraw/zinc/05/08/74/186050874.db2.gz MGVUKZRKAHNYAV-CYBMUJFWSA-N 1 0 305.403 1.559 10 0 DDAERO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000150320571 186056499 /nfs/dbraw/zinc/05/64/99/186056499.db2.gz MZGOWNCFMBPRJB-MRVPVSSYSA-N 1 0 310.341 1.900 10 0 DDAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000040825349 352301516 /nfs/dbraw/zinc/30/15/16/352301516.db2.gz FEEOZVKUSZOSAC-VXGBXAGGSA-N 1 0 300.305 1.281 10 0 DDAERO CCC[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000040833914 352301860 /nfs/dbraw/zinc/30/18/60/352301860.db2.gz BXNYRXGGPVUBPF-CYBMUJFWSA-N 1 0 311.407 1.193 10 0 DDAERO CNc1cc(N2CCC[C@H]2CNC(=O)C[C@H]2C=CCC2)ncn1 ZINC000173408937 198211762 /nfs/dbraw/zinc/21/17/62/198211762.db2.gz MJNBJXOWTQVMIA-KBPBESRZSA-N 1 0 315.421 1.960 10 0 DDAERO Cc1noc(-c2ccccc2C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000173575459 198228727 /nfs/dbraw/zinc/22/87/27/198228727.db2.gz CLYQGKFBFISJEC-CYBMUJFWSA-N 1 0 312.373 1.965 10 0 DDAERO CCn1c(C)cc(C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1C ZINC000174292001 198315025 /nfs/dbraw/zinc/31/50/25/198315025.db2.gz ORRYGQIPDSILDW-UONOGXRCSA-N 1 0 307.438 1.652 10 0 DDAERO CC1(C)O[C@H]2O[C@H](C[N@@H+]3CCC[C@@H]3c3ccncc3)[C@@H](O)[C@H]2O1 ZINC000106403343 353939142 /nfs/dbraw/zinc/93/91/42/353939142.db2.gz WHVZNXODCFBFHL-OXGONZEZSA-N 1 0 320.389 1.456 10 0 DDAERO CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000129601838 354084013 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ZINC000262587144 203341252 /nfs/dbraw/zinc/34/12/52/203341252.db2.gz SVCFECFXNNIBTC-LBPRGKRZSA-N 1 0 300.384 1.100 10 0 DDAERO CC[NH2+]Cc1c(C)[nH]nc1S(=O)(=O)N(CC)C[C@H](C)CC ZINC000093265863 193223133 /nfs/dbraw/zinc/22/31/33/193223133.db2.gz PHXSLMJBKYUFOC-LLVKDONJSA-N 1 0 316.471 1.884 10 0 DDAERO CN(CCc1cccs1)[C@@]1(C[NH3+])CCCS(=O)(=O)C1 ZINC000093267522 193223161 /nfs/dbraw/zinc/22/31/61/193223161.db2.gz RFXKWSKCIUPIHH-CYBMUJFWSA-N 1 0 302.465 1.129 10 0 DDAERO NC(=O)N[C@@H](CC(=O)N[C@H]1CCCC[C@H]1C[NH3+])c1cccs1 ZINC000262615845 203350519 /nfs/dbraw/zinc/35/05/19/203350519.db2.gz HCFJOQNYHDZZSA-SRVKXCTJSA-N 1 0 324.450 1.481 10 0 DDAERO CS(=O)(=O)c1ccc(-c2n[nH]cc2C[NH2+]C2CC2)cc1F ZINC000093296239 193226113 /nfs/dbraw/zinc/22/61/13/193226113.db2.gz BCDKXKJIMYSYAR-UHFFFAOYSA-N 1 0 309.366 1.871 10 0 DDAERO CC[NH2+]C[C@@H](C)S(=O)(=O)N(C)[C@@H](C)Cc1cccs1 ZINC000093294573 193226903 /nfs/dbraw/zinc/22/69/03/193226903.db2.gz MPLILCKEJOYOCU-NWDGAFQWSA-N 1 0 304.481 1.939 10 0 DDAERO NS(=O)(=O)c1cccc(NC(=O)C2CCC(C[NH3+])CC2)c1 ZINC000093424709 193250003 /nfs/dbraw/zinc/25/00/03/193250003.db2.gz RCPQMSOWYDMILZ-UHFFFAOYSA-N 1 0 311.407 1.038 10 0 DDAERO C[C@@H](C[C@H]1CCC[NH2+]1)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000093463959 193255756 /nfs/dbraw/zinc/25/57/56/193255756.db2.gz ONIGVDQNAATQTK-QWHCGFSZSA-N 1 0 311.451 1.879 10 0 DDAERO C[C@@H](C[C@H]1CCCC[NH2+]1)NCc1cccc(S(N)(=O)=O)c1 ZINC000093486042 193258831 /nfs/dbraw/zinc/25/88/31/193258831.db2.gz VLQKHKTUMSTFHL-GXTWGEPZSA-N 1 0 311.451 1.344 10 0 DDAERO C[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000093520756 193262871 /nfs/dbraw/zinc/26/28/71/193262871.db2.gz ZMTUJSCPCJZFQR-VIFPVBQESA-N 1 0 311.407 1.330 10 0 DDAERO CCn1nc(C)c([C@@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)c1C ZINC000093523095 193263145 /nfs/dbraw/zinc/26/31/45/193263145.db2.gz OGDITVJDGYKTRX-SNVBAGLBSA-N 1 0 301.456 1.994 10 0 DDAERO CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCOCCOC(C)C ZINC000093620978 193275536 /nfs/dbraw/zinc/27/55/36/193275536.db2.gz YKBDHOUPWDXQMZ-ZBFHGGJFSA-N 1 0 300.443 1.840 10 0 DDAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCSc1nncn1C ZINC000093629255 193276023 /nfs/dbraw/zinc/27/60/23/193276023.db2.gz RNEKRAOGOHEORV-FZMZJTMJSA-N 1 0 311.455 1.321 10 0 DDAERO CS(=O)(=O)N1CCC[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC000093696255 193291907 /nfs/dbraw/zinc/29/19/07/193291907.db2.gz QSDKMKBNCGEBTG-CYBMUJFWSA-N 1 0 300.399 1.587 10 0 DDAERO CC[C@](C)([C@H](O)C[C@@H]1CCCN(S(C)(=O)=O)C1)[NH+](C)C ZINC000093699738 193293444 /nfs/dbraw/zinc/29/34/44/193293444.db2.gz WRWZQJLFSDBGNC-BFHYXJOUSA-N 1 0 306.472 1.139 10 0 DDAERO C[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cc(C)ccn1 ZINC000093700311 193293873 /nfs/dbraw/zinc/29/38/73/193293873.db2.gz IQNCNAUBIIMRDD-UONOGXRCSA-N 1 0 311.451 1.712 10 0 DDAERO Cc1csc(C[C@H]([NH3+])C[C@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000093700253 193294029 /nfs/dbraw/zinc/29/40/29/193294029.db2.gz KYRFOACXMCJIKS-VXGBXAGGSA-N 1 0 317.480 1.383 10 0 DDAERO CC(C)CSC[C@H]([NH3+])C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700479 193294260 /nfs/dbraw/zinc/29/42/60/193294260.db2.gz QIBWYASHAJRGFJ-CHWSQXEVSA-N 1 0 308.513 1.765 10 0 DDAERO CC[C@](C)([C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)[NH2+]C)N(C)C ZINC000093700730 193295050 /nfs/dbraw/zinc/29/50/50/193295050.db2.gz PZTPAASWPJYPKP-SOUVJXGZSA-N 1 0 319.515 1.366 10 0 DDAERO CCC1(CC)C[NH2+]CCN1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702589 193295525 /nfs/dbraw/zinc/29/55/25/193295525.db2.gz YQXWRKHSXREFJW-AWEZNQCLSA-N 1 0 317.499 1.122 10 0 DDAERO CC[NH2+][C@]1(C(N)=O)CCC[C@@H](n2cc(C(F)(F)F)cn2)C1 ZINC000093760117 193301987 /nfs/dbraw/zinc/30/19/87/193301987.db2.gz HUIPQNUAVPQMNN-ZYHUDNBSSA-N 1 0 304.316 1.851 10 0 DDAERO Cc1nnc(S[C@H]2CCC[C@@]([NH2+]C3CC3)(C(N)=O)C2)n1C ZINC000093779991 193306241 /nfs/dbraw/zinc/30/62/41/193306241.db2.gz HKTRLNNRPWYBQH-FZMZJTMJSA-N 1 0 309.439 1.134 10 0 DDAERO CCC[NH2+]CC1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000093667770 193286921 /nfs/dbraw/zinc/28/69/21/193286921.db2.gz UFHLMJHXZZZFSP-UHFFFAOYSA-N 1 0 306.472 1.453 10 0 DDAERO CCN(CC1CC[NH2+]CC1)S(=O)(=O)c1ccc(OC)cc1 ZINC000094023885 193339535 /nfs/dbraw/zinc/33/95/35/193339535.db2.gz QCEFVHVFPPDKSO-UHFFFAOYSA-N 1 0 312.435 1.705 10 0 DDAERO [NH3+][C@@H](Cc1cc(F)cc(Br)c1)[C@@H]1COCCO1 ZINC000094000192 193337901 /nfs/dbraw/zinc/33/79/01/193337901.db2.gz NTYIDYSBMPKHKH-RYUDHWBXSA-N 1 0 304.159 1.873 10 0 DDAERO CCOC(=O)[C@]1([NH3+])CC[C@H](Sc2nnc3ccccn32)C1 ZINC000093852821 193318255 /nfs/dbraw/zinc/31/82/55/193318255.db2.gz MFYFAONODZVSRX-HZMBPMFUSA-N 1 0 306.391 1.635 10 0 DDAERO CC[NH2+][C@@]1(CO)CC[C@@H](Sc2nnc(N(C)C)s2)C1 ZINC000093859802 193320113 /nfs/dbraw/zinc/32/01/13/193320113.db2.gz RYIRIHPFNGPBTH-SKDRFNHKSA-N 1 0 302.469 1.589 10 0 DDAERO CC[C@H]([NH3+])[C@@H](c1cccc(OC)c1)N(C)CCS(C)(=O)=O ZINC000094297501 193356538 /nfs/dbraw/zinc/35/65/38/193356538.db2.gz ICXTZEVJVPFVEW-LSDHHAIUSA-N 1 0 314.451 1.450 10 0 DDAERO CCOc1cccc([C@H](C[NH3+])N(C)CCS(C)(=O)=O)c1 ZINC000094297853 193357220 /nfs/dbraw/zinc/35/72/20/193357220.db2.gz SZUSDODCFUDWBQ-AWEZNQCLSA-N 1 0 300.424 1.062 10 0 DDAERO CC[NH2+][C@H]1c2ccccc2OC[C@H]1N(C)CCS(C)(=O)=O ZINC000094298254 193357373 /nfs/dbraw/zinc/35/73/73/193357373.db2.gz JFTQIPFKGQQQME-HIFRSBDPSA-N 1 0 312.435 1.075 10 0 DDAERO CC(C)C[C@@H](C[NH3+])Nc1nc(C(F)(F)F)ccc1C(N)=O ZINC000094337465 193361142 /nfs/dbraw/zinc/36/11/42/193361142.db2.gz LLEQBNJNJCHXBQ-QMMMGPOBSA-N 1 0 304.316 1.985 10 0 DDAERO O=C([C@H]1CCCN1Cc1cnc(Cl)s1)N1CC[NH2+]CC1 ZINC000094195215 193348640 /nfs/dbraw/zinc/34/86/40/193348640.db2.gz WIAVMGRVFIVTEM-LLVKDONJSA-N 1 0 314.842 1.193 10 0 DDAERO CCC([NH3+])(CC)C(=O)Nc1ccc(NS(C)(=O)=O)c(C)c1 ZINC000094244163 193354507 /nfs/dbraw/zinc/35/45/07/193354507.db2.gz KZLKIRPTEPTTOU-UHFFFAOYSA-N 1 0 313.423 1.823 10 0 DDAERO CCC[C@@H](C(N)=S)[NH+]1CCN(Cc2ccc(O)cc2)CC1 ZINC000094680144 193391283 /nfs/dbraw/zinc/39/12/83/193391283.db2.gz KPWAMLXEXULBDG-HNNXBMFYSA-N 1 0 307.463 1.965 10 0 DDAERO C(C[NH2+][C@H]1CCO[C@]2(CCSC2)C1)CN1CCOCC1 ZINC000094367271 193366512 /nfs/dbraw/zinc/36/65/12/193366512.db2.gz ODRXNDVODDXACQ-LSDHHAIUSA-N 1 0 300.468 1.353 10 0 DDAERO CC[C@@H](C(N)=S)[NH+]1CCN([C@H]2CCOC3(CCC3)C2)CC1 ZINC000094376078 193367249 /nfs/dbraw/zinc/36/72/49/193367249.db2.gz KEALHPFJRHRDHR-KBPBESRZSA-N 1 0 311.495 1.770 10 0 DDAERO CCS(=O)(=O)N1CCC([NH2+][C@H]2CCCS[C@@H]2C)CC1 ZINC000094475953 193372425 /nfs/dbraw/zinc/37/24/25/193372425.db2.gz FERKFVSGUCWJRT-YPMHNXCESA-N 1 0 306.497 1.674 10 0 DDAERO C[NH2+][C@@H](Cc1nc2ccccc2s1)[C@H]1CN2CCN1CC2 ZINC000094509111 193375584 /nfs/dbraw/zinc/37/55/84/193375584.db2.gz BDDSVSBPWAWIJH-UONOGXRCSA-N 1 0 302.447 1.427 10 0 DDAERO [NH3+][C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]1CN2CCN1CC2 ZINC000094508544 193376057 /nfs/dbraw/zinc/37/60/57/193376057.db2.gz KATIKNMQBCQKEE-KBPBESRZSA-N 1 0 300.233 1.863 10 0 DDAERO Brc1ccc2nc(NCC[C@@H]3CC[NH2+]C3)nn2c1 ZINC000094608182 193384443 /nfs/dbraw/zinc/38/44/43/193384443.db2.gz WQQXPHALDICMFT-VIFPVBQESA-N 1 0 310.199 1.903 10 0 DDAERO C[C@H](O)[C@H]([NH3+])CNC(=O)c1c(F)cc(Br)cc1F ZINC000094717055 193394147 /nfs/dbraw/zinc/39/41/47/193394147.db2.gz KXLYLYBBZGTYNQ-SSDLBLMSSA-N 1 0 323.137 1.165 10 0 DDAERO Cc1cc(F)c(N)cc1S(=O)(=O)NCCCC[NH+](C)C ZINC000094779589 193397226 /nfs/dbraw/zinc/39/72/26/193397226.db2.gz MSHKFQVNFLFUPU-UHFFFAOYSA-N 1 0 303.403 1.336 10 0 DDAERO CCCCc1nnc(N2C(=O)C[C@H](SCC[NH3+])C2=O)s1 ZINC000096299718 193611787 /nfs/dbraw/zinc/61/17/87/193611787.db2.gz JQACCGDDJAHMEK-QMMMGPOBSA-N 1 0 314.436 1.205 10 0 DDAERO COC(=O)[C@H](c1ccccc1)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000117879916 284300886 /nfs/dbraw/zinc/30/08/86/284300886.db2.gz DFEDASXILHJENI-LZWOXQAQSA-N 1 0 306.406 1.288 10 0 DDAERO CC[NH2+][C@@H](Cc1ncnn1C(C)C)C[C@@H]1CCS(=O)(=O)C1 ZINC000097277640 193703481 /nfs/dbraw/zinc/70/34/81/193703481.db2.gz TZKQQAWEHXESEJ-QWHCGFSZSA-N 1 0 314.455 1.204 10 0 DDAERO C[NH2+][C@H](c1cccnc1OC)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000097313077 193706704 /nfs/dbraw/zinc/70/67/04/193706704.db2.gz XCQPZZWWMFEDBE-DYEKYZERSA-N 1 0 312.435 1.954 10 0 DDAERO CCCn1ccnc1C[C@@H](C[C@@H]1CCS(=O)(=O)C1)[NH2+]CC ZINC000097311393 193706834 /nfs/dbraw/zinc/70/68/34/193706834.db2.gz YFRGMDKKDUXIIO-UONOGXRCSA-N 1 0 313.467 1.639 10 0 DDAERO CS(=O)(=O)NCC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000021507546 182275874 /nfs/dbraw/zinc/27/58/74/182275874.db2.gz DEDMTBAIKGKGRZ-UHFFFAOYSA-N 1 0 302.399 1.895 10 0 DDAERO Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CC[N@H+](C)C2)c(F)c1 ZINC000104747711 248246281 /nfs/dbraw/zinc/24/62/81/248246281.db2.gz HIUKSADIXPZEML-GFCCVEGCSA-N 1 0 300.399 1.706 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000170830581 248320966 /nfs/dbraw/zinc/32/09/66/248320966.db2.gz UUVVUXMAGAOMML-NVXWUHKLSA-N 1 0 316.449 1.858 10 0 DDAERO [NH3+][C@@H]1CCCC[C@H]1Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000038050896 182982448 /nfs/dbraw/zinc/98/24/48/182982448.db2.gz XQFMBOFDQVLDCA-HUUCEWRRSA-N 1 0 309.435 1.809 10 0 DDAERO CC(C)([NH2+]C[C@H](O)COCc1ccc(Cl)cc1)C(N)=O ZINC000040675087 183116275 /nfs/dbraw/zinc/11/62/75/183116275.db2.gz ZUPBMYUJFNOAOG-LBPRGKRZSA-N 1 0 300.786 1.071 10 0 DDAERO O=S(=O)(Nc1cccc2c(O)cccc12)N1CC[NH2+]CC1 ZINC000040861246 183143862 /nfs/dbraw/zinc/14/38/62/183143862.db2.gz VGDXNFREEIUDDJ-UHFFFAOYSA-N 1 0 307.375 1.107 10 0 DDAERO C[NH+]1CCN(C(C)(C)CNC(=O)c2ccc(Cl)nc2)CC1 ZINC000040807292 183136338 /nfs/dbraw/zinc/13/63/38/183136338.db2.gz PEXLETBJIPCBAY-UHFFFAOYSA-N 1 0 310.829 1.491 10 0 DDAERO CCOc1oc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)nc1C ZINC000333869143 249132911 /nfs/dbraw/zinc/13/29/11/249132911.db2.gz UBJUHBLXPPRYGT-MRXNPFEDSA-N 1 0 307.394 1.940 10 0 DDAERO C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccc(S(C)(=O)=O)cc1 ZINC000042171544 183238138 /nfs/dbraw/zinc/23/81/38/183238138.db2.gz KEDIVPREJNYXKK-AAEUAGOBSA-N 1 0 310.419 1.409 10 0 DDAERO C[C@H](C[NH3+])CN(C)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000042455465 183272218 /nfs/dbraw/zinc/27/22/18/183272218.db2.gz RQPCPMPSPCTEFN-SECBINFHSA-N 1 0 310.341 1.921 10 0 DDAERO CCN(CC(=O)OC)S(=O)(=O)c1cccc([C@H](C)[NH2+]C)c1 ZINC000042528303 183280871 /nfs/dbraw/zinc/28/08/71/183280871.db2.gz UXIQPPWCLJFVNR-NSHDSACASA-N 1 0 314.407 1.151 10 0 DDAERO CCC(CC)N(CCOC)S(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000042689754 183296090 /nfs/dbraw/zinc/29/60/90/183296090.db2.gz AXRBOFRKMODQAP-CYBMUJFWSA-N 1 0 306.472 1.453 10 0 DDAERO CCCN(CC(=O)OC)S(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000042718681 183302323 /nfs/dbraw/zinc/30/23/23/183302323.db2.gz MGOHKDZZMBMTTA-NSHDSACASA-N 1 0 314.407 1.280 10 0 DDAERO C[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000042945494 183319991 /nfs/dbraw/zinc/31/99/91/183319991.db2.gz GGQGFTTZLDIRHB-HONMWMINSA-N 1 0 316.854 1.847 10 0 DDAERO CCN(CC(=O)NC)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000043285705 183350919 /nfs/dbraw/zinc/35/09/19/183350919.db2.gz JMGIBRSAQXNREE-VIFPVBQESA-N 1 0 320.256 1.578 10 0 DDAERO C[C@H]([NH3+])[C@@H](c1cccnc1)N1CCN(c2nccs2)CC1 ZINC000043345881 183356726 /nfs/dbraw/zinc/35/67/26/183356726.db2.gz DNPYNJQGCFLXOV-JSGCOSHPSA-N 1 0 303.435 1.749 10 0 DDAERO NC(=[NH2+])c1cc2c(nc1-n1cc(Br)cn1)CCC2 ZINC000043406859 183358876 /nfs/dbraw/zinc/35/88/76/183358876.db2.gz FYZHFMKMQJDVLD-UHFFFAOYSA-N 1 0 306.167 1.803 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)c1ccc(N)cc1F ZINC000043593156 183374516 /nfs/dbraw/zinc/37/45/16/183374516.db2.gz YFWZZTUKFWQVOH-GFCCVEGCSA-N 1 0 317.430 1.663 10 0 DDAERO CCC[NH2+][C@H]1CCC2(C[C@@H]1N(C)[C@@H](C)COC)OCCO2 ZINC000043969501 183390936 /nfs/dbraw/zinc/39/09/36/183390936.db2.gz XCLIQGPSKLZEEN-KKUMJFAQSA-N 1 0 300.443 1.617 10 0 DDAERO CCC[NH2+][C@H]1CCC2(C[C@@H]1N(CC)CCOC)OCCO2 ZINC000043968792 183391112 /nfs/dbraw/zinc/39/11/12/183391112.db2.gz ISYSBSMUXIZMFT-GJZGRUSLSA-N 1 0 300.443 1.619 10 0 DDAERO C[C@H](CCc1ccccc1)NS(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000044483038 183412347 /nfs/dbraw/zinc/41/23/47/183412347.db2.gz MKZNZMJRLOTPLH-GDBMZVCRSA-N 1 0 310.463 1.927 10 0 DDAERO CCC[NH2+][C@](C)(CCC[NH+](CCOC)CCOC)C(=O)[O-] ZINC000045424317 183507068 /nfs/dbraw/zinc/50/70/68/183507068.db2.gz FJYOPNUESJUADL-OAHLLOKOSA-N 1 0 304.431 1.204 10 0 DDAERO CCCCOCCOC[C@H](O)C[NH2+][C@@H](C)CN(CC)CC ZINC000045704256 183525129 /nfs/dbraw/zinc/52/51/29/183525129.db2.gz ADKISZMFYHSWQT-JKSUJKDBSA-N 1 0 304.475 1.501 10 0 DDAERO CN1CCO[C@H](CNC(=O)NCCc2ccccc2Cl)C1 ZINC000104792713 194039492 /nfs/dbraw/zinc/03/94/92/194039492.db2.gz UGFGSXLUJDSWJB-CYBMUJFWSA-N 1 0 311.813 1.512 10 0 DDAERO CN1c2ccc(NC(=O)N3CC[C@H]([NH+](C)C)C3)cc2CCC1=O ZINC000105053277 194067548 /nfs/dbraw/zinc/06/75/48/194067548.db2.gz KOSISGBOIAKTAS-AWEZNQCLSA-N 1 0 316.405 1.763 10 0 DDAERO CC[C@@H]1CN([C@@H](C)C(=O)NCCC(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000105826761 194138634 /nfs/dbraw/zinc/13/86/34/194138634.db2.gz JVDHLCFIZQKRSU-OWCLPIDISA-N 1 0 313.486 1.314 10 0 DDAERO O[C@H](Cc1ccccc1)C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105799549 194131835 /nfs/dbraw/zinc/13/18/35/194131835.db2.gz JFQNZMQFMAVACN-QGZVFWFLSA-N 1 0 312.417 1.592 10 0 DDAERO CC[C@@H]1CN(CC(=O)Nc2cccc(F)c2)CC[N@@H+]1CCOC ZINC000105835939 194141956 /nfs/dbraw/zinc/14/19/56/194141956.db2.gz RBDJYLUNJHVXBF-MRXNPFEDSA-N 1 0 323.412 1.807 10 0 DDAERO CCc1ccc(NC(=O)[C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)cc1 ZINC000105870893 194151602 /nfs/dbraw/zinc/15/16/02/194151602.db2.gz IIMQYMMJUYJFAB-DOMZBBRYSA-N 1 0 313.405 1.772 10 0 DDAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000105874132 194153630 /nfs/dbraw/zinc/15/36/30/194153630.db2.gz OEVNIYKEVHQRQG-CHWSQXEVSA-N 1 0 321.469 1.999 10 0 DDAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)NCc2ccc(C)cc2)c1 ZINC000105881504 194155018 /nfs/dbraw/zinc/15/50/18/194155018.db2.gz HVMSRLIMUVQYDP-HNNXBMFYSA-N 1 0 300.406 1.794 10 0 DDAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)NCc2ccc(F)cc2)c1 ZINC000105881489 194156064 /nfs/dbraw/zinc/15/60/64/194156064.db2.gz LUQHPZRXOKEKDV-ZDUSSCGKSA-N 1 0 304.369 1.625 10 0 DDAERO CC(C)(C)OC[C@H](O)C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105910060 194166140 /nfs/dbraw/zinc/16/61/40/194166140.db2.gz NVBCOZQEQLSTDA-CQSZACIVSA-N 1 0 308.426 1.529 10 0 DDAERO Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000105904261 194167277 /nfs/dbraw/zinc/16/72/77/194167277.db2.gz NORTUSHQULYKKT-JKSUJKDBSA-N 1 0 316.405 1.663 10 0 DDAERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C/C=C/Cl)CC2)C1 ZINC000105915330 194167942 /nfs/dbraw/zinc/16/79/42/194167942.db2.gz XQKWRYSPJQFGMK-BWPKMQGJSA-N 1 0 301.862 1.466 10 0 DDAERO C[NH+](C)C[C@@H]1CN(CC(=O)Nc2cc(C(C)(C)C)no2)CCO1 ZINC000105926055 194170825 /nfs/dbraw/zinc/17/08/25/194170825.db2.gz CTWOKDWOFQMLME-GFCCVEGCSA-N 1 0 324.425 1.173 10 0 DDAERO C[NH+](C)C[C@@H]1CN(Cc2noc(-c3ccsc3)n2)CCO1 ZINC000105926360 194170850 /nfs/dbraw/zinc/17/08/50/194170850.db2.gz FSPISAXQVSTWCM-GFCCVEGCSA-N 1 0 308.407 1.561 10 0 DDAERO C[NH+](C)C[C@@H]1CN(Cc2nc(Cc3ccccc3)no2)CCO1 ZINC000105924929 194171085 /nfs/dbraw/zinc/17/10/85/194171085.db2.gz XPDFUCOKCYVWHO-OAHLLOKOSA-N 1 0 316.405 1.423 10 0 DDAERO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105920216 194171498 /nfs/dbraw/zinc/17/14/98/194171498.db2.gz VCKHKMNRMQDCDR-HNNXBMFYSA-N 1 0 304.438 1.996 10 0 DDAERO Cc1ccc(NC(=O)[C@H](C)[NH2+]C[C@H]2CN(C)CCO2)c(F)c1 ZINC000105932993 194173587 /nfs/dbraw/zinc/17/35/87/194173587.db2.gz RXDOKHIHWQJAAN-STQMWFEESA-N 1 0 309.385 1.381 10 0 DDAERO COCC[N@@H+]1CCN(Cc2cc(OC)ccc2OC)C[C@@H]1C ZINC000106109142 194187416 /nfs/dbraw/zinc/18/74/16/194187416.db2.gz VBRRCADWTXWSSY-AWEZNQCLSA-N 1 0 308.422 1.856 10 0 DDAERO COCc1ccccc1C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000285088087 218285592 /nfs/dbraw/zinc/28/55/92/218285592.db2.gz DKXHQECFDSVLMT-HOTGVXAUSA-N 1 0 304.390 1.378 10 0 DDAERO CC[NH+]1CCC(CNC(=O)c2nc(NN)ccc2Cl)CC1 ZINC000051118443 183815460 /nfs/dbraw/zinc/81/54/60/183815460.db2.gz JPHXMKNMYXUWCO-UHFFFAOYSA-N 1 0 311.817 1.482 10 0 DDAERO CCOC(=O)[C@](C)([NH3+])CCCCSc1nnc(C)n1C ZINC000110034025 194305000 /nfs/dbraw/zinc/30/50/00/194305000.db2.gz UTPXKJQNBDGISC-CYBMUJFWSA-N 1 0 300.428 1.666 10 0 DDAERO C[NH+](C)CCCOc1cccc(NC(=O)[C@H]2CNC(=O)C2)c1 ZINC000110490115 194333665 /nfs/dbraw/zinc/33/36/65/194333665.db2.gz HNUFUPLGMKGBCA-GFCCVEGCSA-N 1 0 305.378 1.092 10 0 DDAERO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000110648415 194345288 /nfs/dbraw/zinc/34/52/88/194345288.db2.gz OJJNDMVPBUUHBR-QMMMGPOBSA-N 1 0 322.352 1.852 10 0 DDAERO NC(=O)CSc1ccccc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307233 183933897 /nfs/dbraw/zinc/93/38/97/183933897.db2.gz VEDLUFJSLJUBAI-LLVKDONJSA-N 1 0 307.419 1.592 10 0 DDAERO COc1ccc([C@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)c(Cl)c1OC ZINC000110828493 194362337 /nfs/dbraw/zinc/36/23/37/194362337.db2.gz DRYVQROKJPZNKX-PRHODGIISA-N 1 0 319.810 1.792 10 0 DDAERO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CNC(=O)C2)c1 ZINC000110871541 194365004 /nfs/dbraw/zinc/36/50/04/194365004.db2.gz JDLJKVRBSYYSMH-OAHLLOKOSA-N 1 0 303.406 1.279 10 0 DDAERO CN(CCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110931693 194371425 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ZINC000061641959 184180179 /nfs/dbraw/zinc/18/01/79/184180179.db2.gz HSEMSCBZUUYRLN-UHFFFAOYSA-N 1 0 310.829 1.242 10 0 DDAERO C[C@H]1CN(S(=O)(=O)c2ccc(CC[NH3+])s2)CCCO1 ZINC000061936863 184196989 /nfs/dbraw/zinc/19/69/89/184196989.db2.gz HSJYOGIHUZEMPT-JTQLQIEISA-N 1 0 304.437 1.049 10 0 DDAERO C[C@@H]1CC[C@@H](C(=O)N2CCN(CC(F)(F)F)CC2)C[C@@H]1[NH3+] ZINC000061950846 184198388 /nfs/dbraw/zinc/19/83/88/184198388.db2.gz ISBUOTGLHZNJCZ-UTUOFQBUSA-N 1 0 307.360 1.456 10 0 DDAERO CN(C)S(=O)(=O)c1ccccc1NCCC[NH+]1CCCC1 ZINC000062075917 184204442 /nfs/dbraw/zinc/20/44/42/184204442.db2.gz DVUFXIIRMBPHFS-UHFFFAOYSA-N 1 0 311.451 1.835 10 0 DDAERO COc1cc(CNS(=O)(=O)c2ccccc2C[NH3+])ccn1 ZINC000062074025 184204510 /nfs/dbraw/zinc/20/45/10/184204510.db2.gz WOUJYJZGHODEHT-UHFFFAOYSA-N 1 0 307.375 1.027 10 0 DDAERO C[C@@H](CNc1ccc(S(N)(=O)=O)cc1N)C[NH+]1CCCC1 ZINC000062069902 184204572 /nfs/dbraw/zinc/20/45/72/184204572.db2.gz LEWAVQSODYOLNK-NSHDSACASA-N 1 0 312.439 1.060 10 0 DDAERO Cc1ccsc1[C@@H]([C@@H](C)[NH3+])N1CCN(S(C)(=O)=O)CC1 ZINC000062081747 184204816 /nfs/dbraw/zinc/20/48/16/184204816.db2.gz JUNBAIXZQMGKFB-VXGBXAGGSA-N 1 0 317.480 1.022 10 0 DDAERO C[C@@H](Oc1ccc(C[C@H](C)[NH3+])cc1Br)C(N)=O ZINC000062704400 184248787 /nfs/dbraw/zinc/24/87/87/184248787.db2.gz BDBBTGLONVWGAZ-JGVFFNPUSA-N 1 0 301.184 1.591 10 0 DDAERO C[NH2+][C@@H]1CCc2c1cccc2OCC(=O)NCC(F)(F)F ZINC000062799014 184253575 /nfs/dbraw/zinc/25/35/75/184253575.db2.gz KGGIYUVPZUONRC-LLVKDONJSA-N 1 0 302.296 1.951 10 0 DDAERO CC[C@]1(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)CC[NH2+]C1 ZINC000062895375 184258893 /nfs/dbraw/zinc/25/88/93/184258893.db2.gz WZLJZZJGGRSMPY-YCPHGPKFSA-N 1 0 312.479 1.889 10 0 DDAERO CCC[C@]1(C(=O)N2CCSC[C@H]2C(=O)OCC)CC[NH2+]C1 ZINC000062894853 184259005 /nfs/dbraw/zinc/25/90/05/184259005.db2.gz QKHRVWRXIVRCEN-WFASDCNBSA-N 1 0 314.451 1.273 10 0 DDAERO Nc1ccc(F)cc1S(=O)(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062940655 184260969 /nfs/dbraw/zinc/26/09/69/184260969.db2.gz IROROVUIKDUSCB-GFCCVEGCSA-N 1 0 313.398 1.267 10 0 DDAERO COc1ccc(S(=O)(=O)N[C@@H]2CCCCC[C@H]2[NH3+])cc1C ZINC000063213353 184278398 /nfs/dbraw/zinc/27/83/98/184278398.db2.gz BZDCHXQCDVFLDN-ZIAGYGMSSA-N 1 0 312.435 1.942 10 0 DDAERO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(N)c2)C1 ZINC000062975647 184263564 /nfs/dbraw/zinc/26/35/64/184263564.db2.gz VIIUBRLJAHPNLO-LLVKDONJSA-N 1 0 315.414 1.513 10 0 DDAERO CCOc1nc(Cl)nc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC000062983400 184264206 /nfs/dbraw/zinc/26/42/06/184264206.db2.gz PILHEPWRKSPHRW-LLVKDONJSA-N 1 0 311.817 1.988 10 0 DDAERO CCCNc1ncccc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000062984601 184265109 /nfs/dbraw/zinc/26/51/09/184265109.db2.gz RIHGRDFSSOBMQG-GFCCVEGCSA-N 1 0 312.439 1.228 10 0 DDAERO C[NH2+]Cc1cc(Cl)c(OCCCS(C)(=O)=O)c(OC)c1 ZINC000063014296 184266393 /nfs/dbraw/zinc/26/63/93/184266393.db2.gz NKNLUJGCDWIANC-UHFFFAOYSA-N 1 0 321.826 1.882 10 0 DDAERO C[NH2+][C@H](CCCS(C)(=O)=O)c1ccc(OC)c(OC)c1 ZINC000063016753 184267139 /nfs/dbraw/zinc/26/71/39/184267139.db2.gz QQCWOCCDCZFBDC-GFCCVEGCSA-N 1 0 301.408 1.789 10 0 DDAERO CC(C)[NH2+]C[C@@H]1CCCN(S(=O)(=O)N2CCC(C)CC2)C1 ZINC000063138643 184273191 /nfs/dbraw/zinc/27/31/91/184273191.db2.gz NSPAUFYWSHOGNZ-HNNXBMFYSA-N 1 0 317.499 1.673 10 0 DDAERO CCOCCS(=O)(=O)N(c1ccc(C[NH3+])cc1)C(C)C ZINC000063153305 184274396 /nfs/dbraw/zinc/27/43/96/184274396.db2.gz SEXIYFOQRLRVFE-UHFFFAOYSA-N 1 0 300.424 1.726 10 0 DDAERO CCCn1cc(S(=O)(=O)N2CCCC[C@H]2C[NH2+]C)nc1C ZINC000063168062 184275734 /nfs/dbraw/zinc/27/57/34/184275734.db2.gz NJDHXWUXVVVIHN-ZDUSSCGKSA-N 1 0 314.455 1.364 10 0 DDAERO [NH3+]Cc1cnn(CC(=O)Nc2ccccc2Br)c1 ZINC000063169619 184275878 /nfs/dbraw/zinc/27/58/78/184275878.db2.gz XLLAGMIGEFTWNO-UHFFFAOYSA-N 1 0 309.167 1.743 10 0 DDAERO CC[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N1CCC(C)CC1 ZINC000113668497 194608841 /nfs/dbraw/zinc/60/88/41/194608841.db2.gz YJBJVOZWAGOADT-AWEZNQCLSA-N 1 0 303.472 1.427 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(-c3ccccc3)n[nH]2)C[C@H]1C ZINC000120673297 195213276 /nfs/dbraw/zinc/21/32/76/195213276.db2.gz LOUBQSOLUKDLEZ-HUUCEWRRSA-N 1 0 314.433 1.964 10 0 DDAERO Cn1ccnc1C[N@@H+]1C[C@H]2CCN(c3cccnc3)C(=O)[C@@H]2C1 ZINC000248142391 257108870 /nfs/dbraw/zinc/10/88/70/257108870.db2.gz QUQYFJQCHVPAPO-UKRRQHHQSA-N 1 0 311.389 1.300 10 0 DDAERO Cc1ncsc1C[N@@H+]1C[C@H]2COC[C@@]2(CN2CCOCC2)C1 ZINC000248048085 257111144 /nfs/dbraw/zinc/11/11/44/257111144.db2.gz RHQJZHBMVNQKKW-GOEBONIOSA-N 1 0 323.462 1.232 10 0 DDAERO O=C1[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2CN1c1cncnc1 ZINC000247853582 257116458 /nfs/dbraw/zinc/11/64/58/257116458.db2.gz IMSKHAIRTYFPNZ-TZMCWYRMSA-N 1 0 300.387 1.633 10 0 DDAERO O=C(c1cocn1)N1C[C@H]2CN(Cc3ccco3)CCO[C@H]2C1 ZINC000247808384 257118499 /nfs/dbraw/zinc/11/84/99/257118499.db2.gz CQLYTXSZBOPHQA-DOMZBBRYSA-N 1 0 317.345 1.241 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)Nc1cc(Cl)cc(Cl)c1 ZINC000414673086 224371593 /nfs/dbraw/zinc/37/15/93/224371593.db2.gz BOTYUEJEHBHIJG-CPCISQLKSA-N 1 0 304.177 1.695 10 0 DDAERO COc1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1OC ZINC000121044705 195287596 /nfs/dbraw/zinc/28/75/96/195287596.db2.gz NWPCWWFZJZUCLS-HNNXBMFYSA-N 1 0 306.406 1.610 10 0 DDAERO CCC[C@@H]1CN(Cc2nnc(C)n2CC)CC[N@@H+]1CCOC ZINC000122004785 195389746 /nfs/dbraw/zinc/38/97/46/195389746.db2.gz RVKXINMQYYUAHK-OAHLLOKOSA-N 1 0 309.458 1.539 10 0 DDAERO CN(C)c1ccc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c(F)c1 ZINC000152085954 407559676 /nfs/dbraw/zinc/55/96/76/407559676.db2.gz HSWLAEXKMHRYMO-CYBMUJFWSA-N 1 0 309.385 1.294 10 0 DDAERO c1cnc(N2CCC[NH2+]CC2)c(-c2nc(-c3ccncc3)no2)c1 ZINC000070458047 406817382 /nfs/dbraw/zinc/81/73/82/406817382.db2.gz JUWKPHALRXQMFD-UHFFFAOYSA-N 1 0 322.372 1.993 10 0 DDAERO [NH3+][C@@H]1CC(=O)N(c2cccc(I)c2)C1 ZINC000035679784 406974594 /nfs/dbraw/zinc/97/45/94/406974594.db2.gz VEYFRHLNAHQMEB-MRVPVSSYSA-N 1 0 302.115 1.355 10 0 DDAERO COCC[NH2+]C[C@@H](O)COc1ccc(C)cc1Br ZINC000037849339 406995529 /nfs/dbraw/zinc/99/55/29/406995529.db2.gz CUINLBQEEFCWLH-LLVKDONJSA-N 1 0 318.211 1.733 10 0 DDAERO C[C@@H]1CCC[C@H](NC(=O)NC[C@H](O)C[NH+]2CCCCC2)[C@@H]1C ZINC000049172435 407116484 /nfs/dbraw/zinc/11/64/84/407116484.db2.gz MMUJIIFSVJYPPP-WCVJEAGWSA-N 1 0 311.470 1.957 10 0 DDAERO Cc1ccccc1CCNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000049173022 407116498 /nfs/dbraw/zinc/11/64/98/407116498.db2.gz DNPJXOLRJNHFPK-QGZVFWFLSA-N 1 0 319.449 1.684 10 0 DDAERO COCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000079306313 407053353 /nfs/dbraw/zinc/05/33/53/407053353.db2.gz PMZQPGRITPOPIM-OLZOCXBDSA-N 1 0 324.421 1.896 10 0 DDAERO O=C(NCCC[N@@H+]1CC[C@H](Oc2cccnc2)C1)C(F)(F)F ZINC000091594723 407181385 /nfs/dbraw/zinc/18/13/85/407181385.db2.gz BWGMUTUHVBPQGD-LBPRGKRZSA-N 1 0 317.311 1.603 10 0 DDAERO COc1cc(Nc2ncc([C@H](C)[NH3+])nn2)cc(OC)c1OC ZINC000066354488 407249060 /nfs/dbraw/zinc/24/90/60/407249060.db2.gz BXYVANSPHDUABZ-QMMMGPOBSA-N 1 0 305.338 1.661 10 0 DDAERO COC[C@@H](C)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000103360140 407337855 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C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCC[C@@H](O)C1 ZINC000247492635 408481252 /nfs/dbraw/zinc/48/12/52/408481252.db2.gz UKXJCNWMRYZJGO-GVDBMIGSSA-N 1 0 304.434 1.827 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CCCN1c1nccs1 ZINC000247508947 408484771 /nfs/dbraw/zinc/48/47/71/408484771.db2.gz VRMFCRQKKXBEAP-HZSPNIEDSA-N 1 0 320.462 1.807 10 0 DDAERO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCC(=O)NCC1CC1 ZINC000183786290 408490074 /nfs/dbraw/zinc/49/00/74/408490074.db2.gz JZZTZSSASCGXPT-AWEZNQCLSA-N 1 0 310.442 1.028 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CCO1 ZINC000247562235 408493379 /nfs/dbraw/zinc/49/33/79/408493379.db2.gz ZRFKWIFJRCPNIL-KWCYVHTRSA-N 1 0 324.371 1.857 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@@H](O)COCc1ccccc1 ZINC000247814358 408511394 /nfs/dbraw/zinc/51/13/94/408511394.db2.gz VVDXCZQGDJJXTG-QZTJIDSGSA-N 1 0 306.450 1.980 10 0 DDAERO CCN(CC1CC1)S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000183952371 408517244 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C[C@@H]([NH3+])C1CCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)CC1 ZINC000178832562 162693108 /nfs/dbraw/zinc/69/31/08/162693108.db2.gz VOTHZMWGDYPICE-OLZOCXBDSA-N 1 0 318.421 1.782 10 0 DDAERO Cc1cc(=O)n(C)cc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000162835995 408738861 /nfs/dbraw/zinc/73/88/61/408738861.db2.gz VROSHLKDRVWZOH-ZDUSSCGKSA-N 1 0 304.394 1.396 10 0 DDAERO CCC[C@H](C(=O)N1CCC(CN2CCCCC2=O)CC1)[NH+](C)C ZINC000162180839 408677870 /nfs/dbraw/zinc/67/78/70/408677870.db2.gz WATSLCDOEIGBKE-MRXNPFEDSA-N 1 0 323.481 1.968 10 0 DDAERO O=C(Nc1cccc2[nH]ccc21)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177685613 408685096 /nfs/dbraw/zinc/68/50/96/408685096.db2.gz KHLDTLPXVXYOSU-LBPRGKRZSA-N 1 0 312.373 1.413 10 0 DDAERO CCC[C@H](C(=O)N1CCN([C@H](C)C(F)(F)F)CC1)[NH+](C)C ZINC000162415537 408697967 /nfs/dbraw/zinc/69/79/67/408697967.db2.gz SOYBAYAORWQJTR-VXGBXAGGSA-N 1 0 309.376 1.812 10 0 DDAERO Cc1cc(N2CCC[C@@H]([NH2+]CC3=CCCOC3)C2=O)n(C)n1 ZINC000178168452 408782097 /nfs/dbraw/zinc/78/20/97/408782097.db2.gz YLKGLRZXLDTMED-CQSZACIVSA-N 1 0 304.394 1.160 10 0 DDAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cccc(CO)c1)CC2 ZINC000183293177 162847422 /nfs/dbraw/zinc/84/74/22/162847422.db2.gz OQUBEMVVFCIBMA-IUODEOHRSA-N 1 0 300.406 1.998 10 0 DDAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000185172179 408772875 /nfs/dbraw/zinc/77/28/75/408772875.db2.gz GYRFVJRUXRYIMO-OAHLLOKOSA-N 1 0 323.481 1.824 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)C2CCC(O)CC2)C[C@H]1CC ZINC000194323332 408777178 /nfs/dbraw/zinc/77/71/78/408777178.db2.gz WKOHFLSUCJFBJP-HWOWSKLDSA-N 1 0 312.454 1.497 10 0 DDAERO CSc1cccc(C)c1NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000187147793 163006219 /nfs/dbraw/zinc/00/62/19/163006219.db2.gz VNLAAWUQVINULR-GFCCVEGCSA-N 1 0 321.446 1.818 10 0 DDAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(F)nc3)C2=O)n(C)n1 ZINC000189134579 163085743 /nfs/dbraw/zinc/08/57/43/163085743.db2.gz XCQALSQCTUFZOF-ZDUSSCGKSA-N 1 0 317.368 1.548 10 0 DDAERO CC(C)c1nnc2n1C[C@@H](Nc1cc[nH+]cc1C(N)=O)CC2 ZINC000184103197 306713272 /nfs/dbraw/zinc/71/32/72/306713272.db2.gz YQJHANCDHLEVFQ-JTQLQIEISA-N 1 0 300.366 1.322 10 0 DDAERO CN1CCO[C@@H](CNC(=O)CCSCc2ccccn2)C1 ZINC000194605117 163287484 /nfs/dbraw/zinc/28/74/84/163287484.db2.gz UKJSGMZORNBZPJ-AWEZNQCLSA-N 1 0 309.435 1.152 10 0 DDAERO CCCCOC[C@H](O)C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000195184250 163311675 /nfs/dbraw/zinc/31/16/75/163311675.db2.gz KQKXQLIGFCTEDR-MRXNPFEDSA-N 1 0 312.454 1.641 10 0 DDAERO O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195333598 163317287 /nfs/dbraw/zinc/31/72/87/163317287.db2.gz LTHBBYQGAMXVHB-OAHLLOKOSA-N 1 0 323.396 1.962 10 0 DDAERO O=C1c2ccccc2C(=O)N1CC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195506914 163324760 /nfs/dbraw/zinc/32/47/60/163324760.db2.gz PWLCTPDDZCKJGZ-UHFFFAOYSA-N 1 0 324.384 1.885 10 0 DDAERO O=C1CCCN1C[C@H](O)C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000247600527 163573964 /nfs/dbraw/zinc/57/39/64/163573964.db2.gz UIRURRDOPRNCOK-QGZVFWFLSA-N 1 0 317.433 1.182 10 0 DDAERO CCc1noc2ncc(S(=O)(=O)N3CCCC[C@H]3C[NH3+])cc12 ZINC000261637587 163676699 /nfs/dbraw/zinc/67/66/99/163676699.db2.gz FSHJLAAROWPDHC-JTQLQIEISA-N 1 0 324.406 1.287 10 0 DDAERO COCC1(CNc2nc([C@H](C)OC)ns2)CC[NH2+]CC1 ZINC000261696698 163686884 /nfs/dbraw/zinc/68/68/84/163686884.db2.gz IAUDJEKKMIVCTI-JTQLQIEISA-N 1 0 300.428 1.674 10 0 DDAERO CCCC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000262108798 163769126 /nfs/dbraw/zinc/76/91/26/163769126.db2.gz VLUSCGVUWVJUNT-ZIAGYGMSSA-N 1 0 309.454 1.611 10 0 DDAERO C[C@H](C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1)C1C[NH2+]C1 ZINC000262200643 163784786 /nfs/dbraw/zinc/78/47/86/163784786.db2.gz MYNJLQKGLLTJGT-SDBXPKJASA-N 1 0 317.216 1.999 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccccc1C(=O)c1ccccc1 ZINC000262253739 163793889 /nfs/dbraw/zinc/79/38/89/163793889.db2.gz LSFVCYUOJXZUPX-WMLDXEAASA-N 1 0 324.380 1.228 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc(-c2ccccc2)ns1 ZINC000262269707 163796983 /nfs/dbraw/zinc/79/69/83/163796983.db2.gz MTWFOMUPHHOXEX-DGCLKSJQSA-N 1 0 303.387 1.120 10 0 DDAERO O=C(CC(c1ccccc1)c1ccccc1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262281394 163798551 /nfs/dbraw/zinc/79/85/51/163798551.db2.gz NXWTYUMUFMCMAE-MJGOQNOKSA-N 1 0 324.424 1.905 10 0 DDAERO Cc1cccc(C2(C(=O)NC[C@H]3C[NH2+]C[C@@H]3O)CCCC2)c1 ZINC000262331975 163808941 /nfs/dbraw/zinc/80/89/41/163808941.db2.gz SIAGWFWPTCVDDO-ZBFHGGJFSA-N 1 0 302.418 1.503 10 0 DDAERO CCCC[C@@H](C[NH3+])NC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000262607456 163856799 /nfs/dbraw/zinc/85/67/99/163856799.db2.gz SQPVUBMLUBMFCM-JSGCOSHPSA-N 1 0 306.410 1.830 10 0 DDAERO C[C@H](CC(=O)NC[C@H](O)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000262625988 163859029 /nfs/dbraw/zinc/85/90/29/163859029.db2.gz LDSLWKWIQLJAGC-DJIMGWMZSA-N 1 0 304.434 1.732 10 0 DDAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000262725700 163869702 /nfs/dbraw/zinc/86/97/02/163869702.db2.gz HCWSDZQLQSDKON-MBNYWOFBSA-N 1 0 304.394 1.311 10 0 DDAERO C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1)[C@H]1CCCOC1 ZINC000329983122 287056325 /nfs/dbraw/zinc/05/63/25/287056325.db2.gz AXHHVOPPLCSLBG-FIRUKDTASA-N 1 0 306.410 1.985 10 0 DDAERO [NH3+][C@H]1CCCO[C@H]1c1ncc(I)s1 ZINC000306463504 409771033 /nfs/dbraw/zinc/77/10/33/409771033.db2.gz HMYQAXIVDFCAOV-CAHLUQPWSA-N 1 0 310.160 1.927 10 0 DDAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)Nc2nc3c(s2)COCC3)C1 ZINC000352201636 410543382 /nfs/dbraw/zinc/54/33/82/410543382.db2.gz GQTMZVHDUXJNHE-ZJUUUORDSA-N 1 0 310.423 1.820 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccccc1OC ZINC000246951612 287231423 /nfs/dbraw/zinc/23/14/23/287231423.db2.gz KNQYINKPXRLQAV-KGLIPLIRSA-N 1 0 324.446 1.943 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000130798352 196111502 /nfs/dbraw/zinc/11/15/02/196111502.db2.gz HYDQCINWCWBAAI-OCCSQVGLSA-N 1 0 319.405 1.943 10 0 DDAERO O[C@H]1C[NH2+]C[C@H]1CNc1ncc(Br)cc1Cl ZINC000420248563 226446536 /nfs/dbraw/zinc/44/65/36/226446536.db2.gz IEIRTOWBYVZETQ-RCOVLWMOSA-N 1 0 306.591 1.490 10 0 DDAERO C[C@H](NC(=O)CCC(C)(C)[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000070086869 418488401 /nfs/dbraw/zinc/48/84/01/418488401.db2.gz NZYZQEJQCFEAEW-JTQLQIEISA-N 1 0 313.423 1.029 10 0 DDAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)NC[C@@H]1Cc2ccccc21 ZINC000193695253 418533563 /nfs/dbraw/zinc/53/35/63/418533563.db2.gz LXHADDIBMYCSFJ-HOTGVXAUSA-N 1 0 317.433 1.472 10 0 DDAERO CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](C)[NH3+] ZINC000194899230 418550604 /nfs/dbraw/zinc/55/06/04/418550604.db2.gz NCQMCMADCMWDEO-GXFFZTMASA-N 1 0 311.813 1.558 10 0 DDAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291073040 222116159 /nfs/dbraw/zinc/11/61/59/222116159.db2.gz FLZAJQYUQLSJCF-MJBXVCDLSA-N 1 0 319.323 1.820 10 0 DDAERO CSC1(CNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000195154521 222191008 /nfs/dbraw/zinc/19/10/08/222191008.db2.gz JDYJGGXDSGOMFC-GFCCVEGCSA-N 1 0 301.456 1.028 10 0 DDAERO C[C@](O)(C[N@@H+]1CCC[C@H]1[C@H]1COCC[C@]1(C)O)C(F)(F)F 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CCn1c2ccccc2n(CC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c1=O ZINC000237194686 288691950 /nfs/dbraw/zinc/69/19/50/288691950.db2.gz WSWTUQOTMKZKKY-CHWSQXEVSA-N 1 0 316.405 1.067 10 0 DDAERO C[NH+](C)C[C@H]1CN(CCOCC(F)(F)C(F)F)CCO1 ZINC000189222619 289218038 /nfs/dbraw/zinc/21/80/38/289218038.db2.gz FUMXRDKWPUKOFX-JTQLQIEISA-N 1 0 302.312 1.166 10 0 DDAERO COc1ccc(CN2CC[C@@H](OC)C[C@H]2C[NH3+])c(OC)c1OC ZINC000261873869 295131129 /nfs/dbraw/zinc/13/11/29/295131129.db2.gz LRQFHUWBWUAKNI-UONOGXRCSA-N 1 0 324.421 1.651 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000247479650 297100070 /nfs/dbraw/zinc/10/00/70/297100070.db2.gz SOUMOJOENBUTGZ-OCCSQVGLSA-N 1 0 322.430 1.399 10 0 DDAERO Cc1cc(S(=O)(=O)N2CCC(O)(C[NH3+])CC2)sc1Cl ZINC000397101162 302352349 /nfs/dbraw/zinc/35/23/49/302352349.db2.gz OOKNFXZYEJLPSG-UHFFFAOYSA-N 1 0 324.855 1.184 10 0 DDAERO CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400511258 302369986 /nfs/dbraw/zinc/36/99/86/302369986.db2.gz 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DDAERO CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000152821904 519820443 /nfs/dbraw/zinc/82/04/43/519820443.db2.gz RPJGXVYYUJCBFE-ZFWWWQNUSA-N 1 0 321.421 1.540 10 0 DDAERO CN(C(=O)C1CC1)c1ccccc1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000158042431 523788883 /nfs/dbraw/zinc/78/88/83/523788883.db2.gz AKZCJNPIPUNQCO-UKRRQHHQSA-N 1 0 315.417 1.917 10 0 DDAERO CC[C@H](C)[NH+]1CCN(c2nnc(C)c(C)c2C(N)=S)CC1 ZINC000055080650 536148245 /nfs/dbraw/zinc/14/82/45/536148245.db2.gz WLMUBVAEYLCKFI-JTQLQIEISA-N 1 0 307.467 1.648 10 0 DDAERO COc1ccc([C@H]2OCC[C@@H]2NC(=O)N2CCC[C@H]([NH3+])C2)cn1 ZINC000333524236 536946155 /nfs/dbraw/zinc/94/61/55/536946155.db2.gz GZMPCVFJNOMEGQ-KCQAQPDRSA-N 1 0 320.393 1.053 10 0 DDAERO C[C@@H]1CN(S(=O)(=O)c2cccnc2Cl)C[C@@H]1[NH+](C)C ZINC000124022923 696737886 /nfs/dbraw/zinc/73/78/86/696737886.db2.gz PJKLFNLOOVBPDX-ZJUUUORDSA-N 1 0 303.815 1.306 10 0 DDAERO C[NH+](C)[C@H]1CCN(CN2C(=O)NC3(CCCCCCC3)C2=O)C1 ZINC000170843481 697351106 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316.373 1.856 10 0 DDAERO C[C@H]([NH3+])CC(=O)Nc1ccccc1N1CCC(C(N)=O)CC1 ZINC000261840698 698440675 /nfs/dbraw/zinc/44/06/75/698440675.db2.gz NTNZLQAZBSWZKQ-NSHDSACASA-N 1 0 304.394 1.064 10 0 DDAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000261851639 698441370 /nfs/dbraw/zinc/44/13/70/698441370.db2.gz XIKOJIJKIXZAOB-ZETCQYMHSA-N 1 0 314.304 1.731 10 0 DDAERO C[C@@H]([NH3+])CC(=O)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000261876596 698442181 /nfs/dbraw/zinc/44/21/81/698442181.db2.gz RHHUUHICSBEHNK-RKDXNWHRSA-N 1 0 304.316 1.872 10 0 DDAERO Cc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1 ZINC000261877196 698442350 /nfs/dbraw/zinc/44/23/50/698442350.db2.gz DUFZMLJKYTWWPN-BRSBDYLESA-N 1 0 304.434 1.775 10 0 DDAERO COc1cccc2c1CC[C@@H]2NC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261878772 698442872 /nfs/dbraw/zinc/44/28/72/698442872.db2.gz UKIWWDXWSJPWCD-HOCLYGCPSA-N 1 0 304.390 1.553 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(OC2CCOCC2)c(C)c1 ZINC000262372216 698466513 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Cn1cccc1C[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702846504 699234370 /nfs/dbraw/zinc/23/43/70/699234370.db2.gz QVIMJAUKUVTJRM-JSGCOSHPSA-N 1 0 309.410 1.343 10 0 DDAERO C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000705673593 699241751 /nfs/dbraw/zinc/24/17/51/699241751.db2.gz RDHBSYCXUZFBDY-MQYQWHSLSA-N 1 0 314.426 1.229 10 0 DDAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]C[C@@H](O)C(F)(F)F)C1 ZINC000711443331 699258245 /nfs/dbraw/zinc/25/82/45/699258245.db2.gz UQGBWSAXQBIPEX-UDNWOFFPSA-N 1 0 312.332 1.803 10 0 DDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724114581 699325792 /nfs/dbraw/zinc/32/57/92/699325792.db2.gz NJCMMWXULCWCLL-ACLDMZEESA-N 1 0 304.259 1.192 10 0 DDAERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2NC(=O)CCn2cccn2)C1 ZINC000886078143 708693853 /nfs/dbraw/zinc/69/38/53/708693853.db2.gz NHPPRPISUGEMGH-ZNMIVQPWSA-N 1 0 306.410 1.031 10 0 DDAERO CO[C@H]1CCN([C@H]2CCC[C@H]2[NH2+]CC(=O)N2CCCCCC2)C1 ZINC000886082608 708694964 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CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCOC[C@@H]1C[C@H](C)O ZINC000248751164 282105809 /nfs/dbraw/zinc/10/58/09/282105809.db2.gz TZOMFLRFEXZGSL-ZNMIVQPWSA-N 1 0 315.458 1.144 10 0 DDAERO C[NH2+][C@H]1CCC2(C[C@@H]1Sc1nc(C)cc(=O)[nH]1)OCCO2 ZINC000081868715 192333193 /nfs/dbraw/zinc/33/31/93/192333193.db2.gz OMNWMJHSKUYOKR-QWRGUYRKSA-N 1 0 311.407 1.054 10 0 DDAERO C[C@H](CS(C)(=O)=O)NC1=[NH+][C@@H](Cc2ccccc2)CS1 ZINC000081904910 192336388 /nfs/dbraw/zinc/33/63/88/192336388.db2.gz HESAJLWTMYFTQI-YPMHNXCESA-N 1 0 312.460 1.723 10 0 DDAERO CC[NH2+][C@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000081920177 192338854 /nfs/dbraw/zinc/33/88/54/192338854.db2.gz FQWKBFHJJAGQFR-STQMWFEESA-N 1 0 303.811 1.881 10 0 DDAERO Cc1ncsc1/C=C/C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000249118460 282134311 /nfs/dbraw/zinc/13/43/11/282134311.db2.gz FZZMDVKBLRVKNZ-XMXMHJJKSA-N 1 0 309.435 1.378 10 0 DDAERO CCC[NH2+][C@@H]1CCC2(C[C@@H]1S(=O)(=O)CCC)OCCO2 ZINC000081961321 192345451 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Cc1cc(C(=O)NC2CC[NH+](CC(N)=S)CC2)sc1C ZINC000087567263 185228461 /nfs/dbraw/zinc/22/84/61/185228461.db2.gz SJGJWKPYLHITHE-UHFFFAOYSA-N 1 0 311.476 1.845 10 0 DDAERO CC(C)(CCC[NH+]1CCN(c2ncccn2)CC1)C(N)=S ZINC000087607809 185229234 /nfs/dbraw/zinc/22/92/34/185229234.db2.gz QCBSUEQXCGVBIQ-UHFFFAOYSA-N 1 0 307.467 1.691 10 0 DDAERO CC(C)([NH3+])C(C)(C)C(=O)Nc1ccccc1SCC(N)=O ZINC000087627635 185229585 /nfs/dbraw/zinc/22/95/85/185229585.db2.gz BXQLMRVQCSSILS-UHFFFAOYSA-N 1 0 309.435 1.966 10 0 DDAERO CC(C)([NH3+])C(C)(C)C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000087627770 185229606 /nfs/dbraw/zinc/22/96/06/185229606.db2.gz KVQBOOIKKKDQHE-JTQLQIEISA-N 1 0 309.376 1.750 10 0 DDAERO O[C@H](COCc1ccco1)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152334242 539200987 /nfs/dbraw/zinc/20/09/87/539200987.db2.gz MMZUFDDZBASFSG-GOEBONIOSA-N 1 0 318.373 1.705 10 0 DDAERO CC[NH2+][C@H]1CCCCCC[C@@H]1S(=O)(=O)CCC(=O)OC ZINC000081974913 192347725 /nfs/dbraw/zinc/34/77/25/192347725.db2.gz LKJOHOWDSFEUBY-STQMWFEESA-N 1 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HUIIPUCSKGCKHP-ZDUSSCGKSA-N 1 0 315.391 1.063 10 0 DDAERO CCC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1S(=O)(=O)CCC(=O)OC ZINC000081974782 192348238 /nfs/dbraw/zinc/34/82/38/192348238.db2.gz AYMDBGIIWVAAOU-OLZOCXBDSA-N 1 0 319.467 1.911 10 0 DDAERO COCC(=O)N1CCN(CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000173196294 539227518 /nfs/dbraw/zinc/22/75/18/539227518.db2.gz ATWQASKQNIWIKF-UHFFFAOYSA-N 1 0 323.412 1.048 10 0 DDAERO CN(CCc1ccccc1)[C@@]1(C[NH3+])CCC[C@@H]1S(C)(=O)=O ZINC000088194138 185241467 /nfs/dbraw/zinc/24/14/67/185241467.db2.gz HDQYAPUMYXQXTP-JKSUJKDBSA-N 1 0 310.463 1.456 10 0 DDAERO [NH3+]Cc1nnnn1-c1c2nsnc2c(Cl)cc1Cl ZINC000088127756 185240469 /nfs/dbraw/zinc/24/04/69/185240469.db2.gz SLQYSHHKRGDLLV-UHFFFAOYSA-N 1 0 302.150 1.433 10 0 DDAERO COC(=O)CS(=O)(=O)C[C@@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000081976330 192348298 /nfs/dbraw/zinc/34/82/98/192348298.db2.gz HBKUVBWAOGWQMV-CYBMUJFWSA-N 1 0 313.419 1.572 10 0 DDAERO CCOc1ccccc1OCC[C@H]([NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000088415720 185249287 /nfs/dbraw/zinc/24/92/87/185249287.db2.gz BUNPNDUXCJBIBB-STQMWFEESA-N 1 0 313.419 1.616 10 0 DDAERO CN(CCC(F)(F)F)S(=O)(=O)Cc1ccccc1C[NH3+] ZINC000088419134 185249456 /nfs/dbraw/zinc/24/94/56/185249456.db2.gz UXJVTNLNQXOEIV-UHFFFAOYSA-N 1 0 310.341 1.859 10 0 DDAERO CCOC(=O)[C@@](N)(C[N@@H+]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000088435072 185250219 /nfs/dbraw/zinc/25/02/19/185250219.db2.gz BPZNRCXJEDSGFV-WCQYABFASA-N 1 0 308.344 1.931 10 0 DDAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2CCO[C@H](C)C2)o1 ZINC000088543526 185256829 /nfs/dbraw/zinc/25/68/29/185256829.db2.gz HWIZIFNIZNHDJV-LLVKDONJSA-N 1 0 302.396 1.187 10 0 DDAERO Cc1nnc2sc(C(=O)NC3CC[NH2+]CC3)c(N)c2c1C ZINC000088641243 185260660 /nfs/dbraw/zinc/26/06/60/185260660.db2.gz AVTXYKKKTFXPDI-UHFFFAOYSA-N 1 0 305.407 1.372 10 0 DDAERO CCOC(=O)[C@@H]1C[NH2+]CCN1Cc1ccc(Br)o1 ZINC000088658228 185261833 /nfs/dbraw/zinc/26/18/33/185261833.db2.gz KFNWALRCBGZIES-JTQLQIEISA-N 1 0 317.183 1.379 10 0 DDAERO [NH3+][C@@H](CS(=O)(=O)c1cccc(Br)c1)C1CC1 ZINC000081982921 192349951 /nfs/dbraw/zinc/34/99/51/192349951.db2.gz UDHDOBRBVZMRDS-NSHDSACASA-N 1 0 304.209 1.960 10 0 DDAERO C[NH2+][C@@H](CS(=O)(=O)C1CCOCC1)c1ccc(OC)cc1 ZINC000081989501 192350589 /nfs/dbraw/zinc/35/05/89/192350589.db2.gz DCHYAAUQCZXMKT-HNNXBMFYSA-N 1 0 313.419 1.550 10 0 DDAERO C[NH2+][C@H](CS(=O)(=O)C1CCOCC1)c1ccc(OC)cc1 ZINC000081989505 192350929 /nfs/dbraw/zinc/35/09/29/192350929.db2.gz DCHYAAUQCZXMKT-OAHLLOKOSA-N 1 0 313.419 1.550 10 0 DDAERO C[NH2+][C@@H](C[S@](=O)CCCOC)c1ccc(OC)cc1OC ZINC000081999612 192353511 /nfs/dbraw/zinc/35/35/11/192353511.db2.gz BQGPQIAFKPZTJX-QKKBWIMNSA-N 1 0 315.435 1.750 10 0 DDAERO CCN(C1C[NH2+]C1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000090291533 185289559 /nfs/dbraw/zinc/28/95/59/185289559.db2.gz HUQCQCIAVPZOSD-UHFFFAOYSA-N 1 0 309.218 1.976 10 0 DDAERO CCN(C1C[NH2+]C1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000090291382 185289762 /nfs/dbraw/zinc/28/97/62/185289762.db2.gz CZHOTUPOTBJOOK-UHFFFAOYSA-N 1 0 309.218 1.976 10 0 DDAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1snnc1C(C)(C)C ZINC000090330480 185291409 /nfs/dbraw/zinc/29/14/09/185291409.db2.gz XZRSDDQNIBYOMA-OUAUKWLOSA-N 1 0 308.451 1.906 10 0 DDAERO CC(C)(C)c1nnsc1C(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000090335724 185291592 /nfs/dbraw/zinc/29/15/92/185291592.db2.gz KLJJGBHBHLFGDN-ZJUUUORDSA-N 1 0 308.451 1.906 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)N(C)CCOc1cccc(Cl)c1 ZINC000090434740 185296237 /nfs/dbraw/zinc/29/62/37/185296237.db2.gz MTYOBCXNRNFFTO-KGLIPLIRSA-N 1 0 312.797 1.412 10 0 DDAERO CN(Cc1nc2ccccc2s1)C(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090590886 185305325 /nfs/dbraw/zinc/30/53/25/185305325.db2.gz PISAWICCRIRUNX-WFASDCNBSA-N 1 0 305.403 1.619 10 0 DDAERO COc1cc(OC)c(NC(=O)[C@]2(C)COC[C@@H]2[NH3+])cc1Cl ZINC000090580607 185304795 /nfs/dbraw/zinc/30/47/95/185304795.db2.gz KCDDVRFDXDRJNC-GXTWGEPZSA-N 1 0 314.769 1.660 10 0 DDAERO Cc1noc(C)c1[C@@H](C)NS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000092344095 185313205 /nfs/dbraw/zinc/31/32/05/185313205.db2.gz PVRAQBZWBNAFQO-SNVBAGLBSA-N 1 0 309.391 1.790 10 0 DDAERO Cc1noc(C)c1[C@H](C)NS(=O)(=O)N1CCCC[C@@H]1C[NH3+] ZINC000092344068 185313258 /nfs/dbraw/zinc/31/32/58/185313258.db2.gz UHZIYORHXQYSNS-CMPLNLGQSA-N 1 0 316.427 1.000 10 0 DDAERO [NH3+]CC[C@H](O)c1c(Br)cncc1Br ZINC000306551525 539294051 /nfs/dbraw/zinc/29/40/51/539294051.db2.gz JUOIQVDIJVTLDA-ZETCQYMHSA-N 1 0 309.989 1.989 10 0 DDAERO Cc1noc(C)c1[C@H](C)NS(=O)(=O)c1ccc(C[NH3+])cn1 ZINC000092344039 185313176 /nfs/dbraw/zinc/31/31/76/185313176.db2.gz MPSATTREVYSBOY-VIFPVBQESA-N 1 0 310.379 1.185 10 0 DDAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N[C@@H](CO)C(C)C)o1 ZINC000092426614 185317592 /nfs/dbraw/zinc/31/75/92/185317592.db2.gz WQHZZNHODWQTFD-LBPRGKRZSA-N 1 0 304.412 1.073 10 0 DDAERO COC(=O)c1c2c(sc1NC(=O)[C@H]1CC[NH2+][C@H]1C)CCC2 ZINC000092956088 185350378 /nfs/dbraw/zinc/35/03/78/185350378.db2.gz FESYULWTSHZJGI-IUCAKERBSA-N 1 0 308.403 1.960 10 0 DDAERO COC(=O)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000181629647 199329304 /nfs/dbraw/zinc/32/93/04/199329304.db2.gz AKNRNNOBKQHIDE-DTWKUNHWSA-N 1 0 300.305 1.293 10 0 DDAERO CC[C@@H]([NH3+])Cc1cc(Br)ccc1O[C@H](C)C(N)=O ZINC000037725537 190665259 /nfs/dbraw/zinc/66/52/59/190665259.db2.gz VJXXXGXMLOYYEO-LDYMZIIASA-N 1 0 315.211 1.982 10 0 DDAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N(C)Cc1ccc(Br)o1 ZINC000111269516 185569620 /nfs/dbraw/zinc/56/96/20/185569620.db2.gz SAPRCSSXFYTURJ-SCZZXKLOSA-N 1 0 301.184 1.856 10 0 DDAERO C[C@H]([NH3+])Cc1ccc(N(C)[C@@H]2CCS(=O)(=O)C2)c(F)c1 ZINC000111495347 185609284 /nfs/dbraw/zinc/60/92/84/185609284.db2.gz DRYLHPHQSSTBCQ-CMPLNLGQSA-N 1 0 300.399 1.339 10 0 DDAERO C[C@H]1CN(C(=O)c2ncccc2Br)C[C@H]1[NH+](C)C ZINC000231764034 201891844 /nfs/dbraw/zinc/89/18/44/201891844.db2.gz DAMZSKFOSWYWMF-GXSJLCMTSA-N 1 0 312.211 1.866 10 0 DDAERO CC[NH2+][C@H](C)[C@@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 ZINC000111713704 185628824 /nfs/dbraw/zinc/62/88/24/185628824.db2.gz YKEFEZZPQMIMBE-HUUCEWRRSA-N 1 0 317.499 1.817 10 0 DDAERO C[NH2+][C@H](C)C1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000111714397 185629151 /nfs/dbraw/zinc/62/91/51/185629151.db2.gz DXSIVIBOHYGIQL-LLVKDONJSA-N 1 0 300.399 1.834 10 0 DDAERO C[C@H]1CN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C[C@@H]1[NH3+] ZINC000235680325 201919911 /nfs/dbraw/zinc/91/99/11/201919911.db2.gz AGFWGXBEFQFGPR-KWQFWETISA-N 1 0 324.324 1.553 10 0 DDAERO CC(C)(C)OC(=O)Nc1ccccc1[C@H]1C[NH2+]CCN1CCO ZINC000616635493 362765112 /nfs/dbraw/zinc/76/51/12/362765112.db2.gz AFKUHMQARVTRHO-OAHLLOKOSA-N 1 0 321.421 1.972 10 0 DDAERO CCC[NH2+][C@](CN(CCC)CC(F)(F)F)(C(N)=O)C1CC1 ZINC000069101018 190799283 /nfs/dbraw/zinc/79/92/83/190799283.db2.gz PZQKCYPLSQGAPH-ZDUSSCGKSA-N 1 0 309.376 1.894 10 0 DDAERO CC[NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000675051296 539562526 /nfs/dbraw/zinc/56/25/26/539562526.db2.gz PGQCXBUEFBZEOF-NSHDSACASA-N 1 0 306.428 1.020 10 0 DDAERO CC(C)(C(=O)N(CCC[NH3+])c1ccc(F)cc1)S(C)(=O)=O ZINC000070127150 190859195 /nfs/dbraw/zinc/85/91/95/190859195.db2.gz LHUCPFZSPJPAFK-UHFFFAOYSA-N 1 0 316.398 1.331 10 0 DDAERO CCc1nc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c[nH]1 ZINC000070420372 190888491 /nfs/dbraw/zinc/88/84/91/190888491.db2.gz WLWNOTYLQWZTID-GFCCVEGCSA-N 1 0 312.439 1.125 10 0 DDAERO C[C@@H](C[NH2+]C(C)(C)C)CN1C(=O)N[C@@](C)(C(F)(F)F)C1=O ZINC000071196793 190940907 /nfs/dbraw/zinc/94/09/07/190940907.db2.gz WZSSKGRHHYUZNQ-QPUJVOFHSA-N 1 0 309.332 1.883 10 0 DDAERO C[NH2+][C@@H](C[S@](=O)CCOC)c1ccc(OC)cc1OC ZINC000084036533 192396645 /nfs/dbraw/zinc/39/66/45/192396645.db2.gz DEYGORJQVFESAG-RBZFPXEDSA-N 1 0 301.408 1.359 10 0 DDAERO [NH3+][C@@H](C[S@@](=O)C1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000084054354 192397453 /nfs/dbraw/zinc/39/74/53/192397453.db2.gz JSCZYTAZJWKSEF-ZSEKCTLFSA-N 1 0 311.403 1.385 10 0 DDAERO NNc1cc(C(=O)Nc2ncccc2Br)cc[nH+]1 ZINC000083891837 192388995 /nfs/dbraw/zinc/38/89/95/192388995.db2.gz GUDGTZZOVRVLHJ-UHFFFAOYSA-N 1 0 308.139 1.777 10 0 DDAERO O=S(=O)(NC[C@H]1CC[NH2+]C1)c1cc(Cl)sc1Cl ZINC000133714080 186009353 /nfs/dbraw/zinc/00/93/53/186009353.db2.gz ZJJRHOAAHYIPAR-LURJTMIESA-N 1 0 315.247 1.943 10 0 DDAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CC[C@@H](c3ccccc3)C2)cn1 ZINC000261978266 282680905 /nfs/dbraw/zinc/68/09/05/282680905.db2.gz RJAOYKKXVSHRPO-NXHRZFHOSA-N 1 0 324.428 1.739 10 0 DDAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000155695690 186103648 /nfs/dbraw/zinc/10/36/48/186103648.db2.gz IYXFDUKGMOXQPW-ZACQAIPSSA-N 1 0 304.434 1.827 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(C(N)=O)c1 ZINC000173333060 186177676 /nfs/dbraw/zinc/17/76/76/186177676.db2.gz TTYODWCBIVUHSL-HUUCEWRRSA-N 1 0 316.405 1.876 10 0 DDAERO CC[C@@H](C)C[N@H+](C)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000171949742 198013072 /nfs/dbraw/zinc/01/30/72/198013072.db2.gz BDNWOFUHZFMFCF-OLZOCXBDSA-N 1 0 304.390 1.621 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(C[S@](C)=O)c1 ZINC000172055120 198032376 /nfs/dbraw/zinc/03/23/76/198032376.db2.gz DEWOYOZDNLGSGL-XNVILDLWSA-N 1 0 320.458 1.874 10 0 DDAERO C[C@@H](C(=O)NCc1ccccc1F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172210870 198058210 /nfs/dbraw/zinc/05/82/10/198058210.db2.gz RDFPUOVIHUMWEF-DZGCQCFKSA-N 1 0 305.397 1.610 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cnc(-c3ccncc3)s2)C1 ZINC000172899214 198165907 /nfs/dbraw/zinc/16/59/07/198165907.db2.gz OXFTXYBMABIHDU-GFCCVEGCSA-N 1 0 302.403 1.981 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(CC(=O)Nc2cccc(C)c2)CC1 ZINC000174093863 198289954 /nfs/dbraw/zinc/28/99/54/198289954.db2.gz YUULTWGQELTLLP-MRXNPFEDSA-N 1 0 305.422 1.322 10 0 DDAERO CC[C@@H]1CN(C(=O)/C=C/c2cccnc2)CC[N@@H+]1C[C@@H](C)O ZINC000174642652 198363730 /nfs/dbraw/zinc/36/37/30/198363730.db2.gz WPLUIXKALJKSON-XMAAMQLLSA-N 1 0 303.406 1.398 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1ccccc1 ZINC000174965352 198408485 /nfs/dbraw/zinc/40/84/85/198408485.db2.gz QXUSWWGQYPRWED-HZPDHXFCSA-N 1 0 315.417 1.502 10 0 DDAERO CC(C)Cn1ccnc(NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1=O ZINC000094132324 353910340 /nfs/dbraw/zinc/91/03/40/353910340.db2.gz JHZNKQNWWDNNFI-OAHLLOKOSA-N 1 0 322.453 1.668 10 0 DDAERO CCCS(=O)(=O)N1C[C@H](C[NH+](C)C)C2(C1)CCOCC2 ZINC000097942822 353921187 /nfs/dbraw/zinc/92/11/87/353921187.db2.gz NCCHEAWCTYYYOT-ZDUSSCGKSA-N 1 0 304.456 1.016 10 0 DDAERO CS(=O)(=O)c1ccc(N2CC3(CC[NH2+]CC3)OC2=O)cc1 ZINC000114486714 353980670 /nfs/dbraw/zinc/98/06/70/353980670.db2.gz PWJRXAKFZNKCMI-UHFFFAOYSA-N 1 0 310.375 1.169 10 0 DDAERO COCCC[C@H](C)[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182349590 199423662 /nfs/dbraw/zinc/42/36/62/199423662.db2.gz SWCOZIPNXFOIIL-GXTWGEPZSA-N 1 0 308.426 1.629 10 0 DDAERO CCC[NH2+]CCNC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C ZINC000236784371 202006832 /nfs/dbraw/zinc/00/68/32/202006832.db2.gz PFHLDAYZWNRRBA-HNNXBMFYSA-N 1 0 323.412 1.696 10 0 DDAERO Cc1cc(F)ccc1S(=O)(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000226463201 354319783 /nfs/dbraw/zinc/31/97/83/354319783.db2.gz PCPUEKYGMZDSBS-ZDUSSCGKSA-N 1 0 300.399 1.897 10 0 DDAERO CCc1nc(-c2cnccn2)nc(N2CCC(C[NH3+])CC2)c1C ZINC000073684582 191341734 /nfs/dbraw/zinc/34/17/34/191341734.db2.gz JWRNPTHRKJMVBM-UHFFFAOYSA-N 1 0 312.421 1.980 10 0 DDAERO CCOC(=O)[C@H]1CCCN(C(=O)CC[n+]2ccc(C)cc2)C1 ZINC000075304409 191460048 /nfs/dbraw/zinc/46/00/48/191460048.db2.gz HHWZQOPDRCADQR-HNNXBMFYSA-N 1 0 305.398 1.474 10 0 DDAERO CC[C@@H](NS(=O)(=O)C[C@@H]1CCCC[NH2+]1)c1nccs1 ZINC000080315062 192023765 /nfs/dbraw/zinc/02/37/65/192023765.db2.gz LTPIUEWVTROAAV-WDEREUQCSA-N 1 0 303.453 1.656 10 0 DDAERO C[C@H]1CCC[C@]([NH3+])(C(=O)N2CCN(CC(F)(F)F)CC2)C1 ZINC000080927653 192203611 /nfs/dbraw/zinc/20/36/11/192203611.db2.gz VHNAZZCKPWOOFU-WCQYABFASA-N 1 0 307.360 1.601 10 0 DDAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1cccc(Cl)c1-n1cncn1 ZINC000085363444 192495303 /nfs/dbraw/zinc/49/53/03/192495303.db2.gz KDLLTLQTFSYCDO-GXSJLCMTSA-N 1 0 305.769 1.987 10 0 DDAERO CCC(CC)NC(=O)CN(CC(F)(F)F)C1CC[NH2+]CC1 ZINC000085402827 192501378 /nfs/dbraw/zinc/50/13/78/192501378.db2.gz PJASUEQHDYCXET-UHFFFAOYSA-N 1 0 309.376 1.908 10 0 DDAERO CS(=O)(=O)c1ccc(F)c(NC(=O)[C@H]2CCCCC[NH2+]2)c1 ZINC000080995110 192210257 /nfs/dbraw/zinc/21/02/57/192210257.db2.gz XNBKBEGWIFRHGB-GFCCVEGCSA-N 1 0 314.382 1.700 10 0 DDAERO CC[NH2+][C@@H](CC)[C@H](C)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081533604 192284885 /nfs/dbraw/zinc/28/48/85/192284885.db2.gz ZIMDBLDGGGFILS-UWVGGRQHSA-N 1 0 305.348 1.889 10 0 DDAERO CCC[C@](C)(C[NH3+])CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000081541275 192286641 /nfs/dbraw/zinc/28/66/41/192286641.db2.gz DJXKUYYZEIWNQK-GFCCVEGCSA-N 1 0 305.348 1.878 10 0 DDAERO [NH3+]Cc1ccoc1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000081542745 192287892 /nfs/dbraw/zinc/28/78/92/192287892.db2.gz AODOQDWZZOCMRK-UHFFFAOYSA-N 1 0 301.272 1.364 10 0 DDAERO CCC[C@@H]([NH3+])C(=O)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000236913509 202069380 /nfs/dbraw/zinc/06/93/80/202069380.db2.gz WAMSQWUYZCNRRE-MRXNPFEDSA-N 1 0 317.433 1.669 10 0 DDAERO 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Cc1nc(NC(=O)[C@H]2CC[C@@H](C[NH3+])O2)ccc1Br ZINC000094573142 193381998 /nfs/dbraw/zinc/38/19/98/193381998.db2.gz VDMCYDDMBZFIAN-WCBMZHEXSA-N 1 0 314.183 1.597 10 0 DDAERO NS(=O)(=O)c1ccccc1NC(=O)[C@@H]1CCCCC[C@H]1[NH3+] ZINC000094752072 193395784 /nfs/dbraw/zinc/39/57/84/193395784.db2.gz KVYPVSXIPCNRPE-GHMZBOCLSA-N 1 0 311.407 1.180 10 0 DDAERO Cc1nn(CCC[NH3+])c(C)c1S(=O)(=O)N1CCC(C)(C)C1 ZINC000094814860 193399731 /nfs/dbraw/zinc/39/97/31/193399731.db2.gz URDSNZMPJOFVJQ-UHFFFAOYSA-N 1 0 314.455 1.269 10 0 DDAERO c1cc(C[NH+]2CCC3(C[C@H](Nc4ncccn4)CO3)CC2)n[nH]1 ZINC000096074271 193524560 /nfs/dbraw/zinc/52/45/60/193524560.db2.gz DEMDENGNBBXLHB-AWEZNQCLSA-N 1 0 314.393 1.435 10 0 DDAERO C[NH2+]CCCNCc1ccccc1OCC(=O)NC(C)(C)C ZINC000020872476 182250941 /nfs/dbraw/zinc/25/09/41/182250941.db2.gz MTWBISNBRGMLFC-UHFFFAOYSA-N 1 0 307.438 1.679 10 0 DDAERO [NH3+]CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12 ZINC000022009219 182303607 /nfs/dbraw/zinc/30/36/07/182303607.db2.gz XLDLLAFWGVDYHM-UHFFFAOYSA-N 1 0 307.419 1.595 10 0 in-vitro DDAERO CC(C)C[NH2+]C[C@@H](O)Cn1cccc(Br)c1=O ZINC000097909984 193767000 /nfs/dbraw/zinc/76/70/00/193767000.db2.gz XUOCPQVMQUVNHV-SNVBAGLBSA-N 1 0 303.200 1.217 10 0 DDAERO O=C1C(C[NH2+]CCCn2ccnc2)=CC2=CC=C[C@@H]3CCN1[C@@H]23 ZINC000039287535 183016563 /nfs/dbraw/zinc/01/65/63/183016563.db2.gz JLBPPPPDSRKOMD-RHSMWYFYSA-N 1 0 310.401 1.516 10 0 DDAERO Cc1cc2cc(CC(=O)NCC(C)(C)[NH+](C)C)ccc2[nH]c1=O ZINC000040654725 183114110 /nfs/dbraw/zinc/11/41/10/183114110.db2.gz QXNDHTWOUJRGKT-UHFFFAOYSA-N 1 0 315.417 1.835 10 0 DDAERO CC(C)C[C@@H](CNS(=O)(=O)c1cnc(Cl)nc1)[NH+](C)C ZINC000040805767 183136103 /nfs/dbraw/zinc/13/61/03/183136103.db2.gz HFUCXBNMNJKECL-JTQLQIEISA-N 1 0 320.846 1.385 10 0 DDAERO CC(C)[C@@H](CNS(=O)(=O)c1ccnc(Cl)c1)[NH+](C)C ZINC000040803606 183136145 /nfs/dbraw/zinc/13/61/45/183136145.db2.gz UMPJKPVXAJMSHX-LLVKDONJSA-N 1 0 305.831 1.600 10 0 DDAERO Cc1ccc(NC(=O)CC[NH2+]C(C)(C)C)cc1S(N)(=O)=O ZINC000040807982 183136857 /nfs/dbraw/zinc/13/68/57/183136857.db2.gz ZQWVUNGLPLMUAL-UHFFFAOYSA-N 1 0 313.423 1.359 10 0 DDAERO COc1cc(F)c(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc1OC ZINC000333896982 249141868 /nfs/dbraw/zinc/14/18/68/249141868.db2.gz ZEFOOIKDDKMFSO-MRXNPFEDSA-N 1 0 308.353 1.811 10 0 DDAERO COC(=O)c1c2c(sc1N1C(=O)C[C@@H](C)C1=O)C[NH2+]CC2 ZINC000041156689 183179306 /nfs/dbraw/zinc/17/93/06/183179306.db2.gz SWSKLFIPYCAZNC-SSDOTTSWSA-N 1 0 308.359 1.080 10 0 DDAERO [NH3+]CCc1cccc(Br)c1OCC(=O)NC1CC1 ZINC000042412703 183266161 /nfs/dbraw/zinc/26/61/61/183266161.db2.gz SXBWSVOVEKBFPY-UHFFFAOYSA-N 1 0 313.195 1.608 10 0 DDAERO CCOC(=O)COc1c(Br)cccc1CC[NH3+] ZINC000042412644 183266170 /nfs/dbraw/zinc/26/61/70/183266170.db2.gz HAMFUEYGHPJXNV-UHFFFAOYSA-N 1 0 302.168 1.892 10 0 DDAERO CO[C@@H]1C[NH2+][C@H](C(=O)NCc2ccc(Br)cc2)C1 ZINC000042361437 183258283 /nfs/dbraw/zinc/25/82/83/183258283.db2.gz NRNOGYMGAPSSRL-RYUDHWBXSA-N 1 0 313.195 1.442 10 0 DDAERO COCCN(CC(C)C)S(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000042370884 183259733 /nfs/dbraw/zinc/25/97/33/183259733.db2.gz DAZANKVEWYZFBL-CYBMUJFWSA-N 1 0 314.451 1.999 10 0 DDAERO COCCN([C@H](C)C1CC1)S(=O)(=O)CCC[NH2+]C(C)C ZINC000042689811 183296165 /nfs/dbraw/zinc/29/61/65/183296165.db2.gz OOFLTICKOPQLQF-CYBMUJFWSA-N 1 0 306.472 1.451 10 0 DDAERO CCC(CC)N(CCOC)S(=O)(=O)CCC1CC[NH2+]CC1 ZINC000042681647 183296573 /nfs/dbraw/zinc/29/65/73/183296573.db2.gz YFOSWFAWBOQYRI-UHFFFAOYSA-N 1 0 320.499 1.843 10 0 DDAERO CCNC(=O)CN(C)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042954772 183321218 /nfs/dbraw/zinc/32/12/18/183321218.db2.gz RYVZRVSSIHZLSY-GFCCVEGCSA-N 1 0 314.227 1.517 10 0 DDAERO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N(CC(F)(F)F)C1CC1 ZINC000042779090 183307538 /nfs/dbraw/zinc/30/75/38/183307538.db2.gz UFRGNEMNBCDSEB-LBPRGKRZSA-N 1 0 302.296 1.815 10 0 DDAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1cc(F)ccc1F ZINC000043234252 183346165 /nfs/dbraw/zinc/34/61/65/183346165.db2.gz MGGFAGIZQZNVSG-LBPRGKRZSA-N 1 0 313.348 1.933 10 0 DDAERO Cc1ccsc1[C@@H]([C@@H](C)[NH3+])N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043248182 183347310 /nfs/dbraw/zinc/34/73/10/183347310.db2.gz JNKQFVWZCLLBME-IJLUTSLNSA-N 1 0 302.465 1.564 10 0 DDAERO [NH3+][C@H](c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043299794 183351464 /nfs/dbraw/zinc/35/14/64/183351464.db2.gz MNRPVXKLJWKDAI-MWLCHTKSSA-N 1 0 304.209 1.884 10 0 DDAERO CC[NH2+][C@@H](c1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000043300947 183352778 /nfs/dbraw/zinc/35/27/78/183352778.db2.gz HHKYMVAPKNRQNP-XHDPSFHLSA-N 1 0 313.419 1.789 10 0 DDAERO COc1ccc(Cl)c(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1 ZINC000043318612 183354176 /nfs/dbraw/zinc/35/41/76/183354176.db2.gz RPVHCYMJKBIODB-JTQLQIEISA-N 1 0 320.798 1.049 10 0 DDAERO C[C@@H]([NH3+])[C@H](c1ccccn1)N1CCN(c2nccs2)CC1 ZINC000043338958 183356162 /nfs/dbraw/zinc/35/61/62/183356162.db2.gz KTCGMGVHWNHLCM-TZMCWYRMSA-N 1 0 303.435 1.749 10 0 DDAERO CC(C)([NH3+])c1noc(COc2ccc(S(C)(=O)=O)cc2)n1 ZINC000043402640 183358800 /nfs/dbraw/zinc/35/88/00/183358800.db2.gz BETYOZUIIGVEFA-UHFFFAOYSA-N 1 0 311.363 1.246 10 0 DDAERO Cc1nn(C2CC[NH+](C)CC2)c(N)c1I ZINC000043668858 183378340 /nfs/dbraw/zinc/37/83/40/183378340.db2.gz ZQHUKEYIAQCAJG-UHFFFAOYSA-N 1 0 320.178 1.645 10 0 DDAERO CC[C@@H](C)N(CCOC)[C@@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043973180 183391040 /nfs/dbraw/zinc/39/10/40/183391040.db2.gz BZRIHUDBTXTUFM-QLFBSQMISA-N 1 0 300.443 1.617 10 0 DDAERO CCC(CC)[N@H+](CCOC)[C@H]1CC2(CC[C@@H]1O)OCCO2 ZINC000044177914 183397434 /nfs/dbraw/zinc/39/74/34/183397434.db2.gz FCPQAHIAIIMQOT-GJZGRUSLSA-N 1 0 301.427 1.780 10 0 DDAERO C[C@@H](c1ccc(S(=O)(=O)N(C)C)cc1)N1CCC[NH2+]CC1 ZINC000044494049 183415512 /nfs/dbraw/zinc/41/55/12/183415512.db2.gz GASVVEPXEVVDTG-ZDUSSCGKSA-N 1 0 311.451 1.293 10 0 DDAERO [NH3+]CCc1ccc(S(=O)(=O)N2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000044594653 183426359 /nfs/dbraw/zinc/42/63/59/183426359.db2.gz HSFMOVIQXAIWMF-GJZGRUSLSA-N 1 0 310.419 1.130 10 0 DDAERO CN(C)S(=O)(=O)c1ccc(-c2csc(CC[NH3+])n2)cc1 ZINC000044493805 183414559 /nfs/dbraw/zinc/41/45/59/183414559.db2.gz CZUXTNNKEFGKQU-UHFFFAOYSA-N 1 0 311.432 1.562 10 0 DDAERO CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc3nccn3c2)[N@H+](C)C1 ZINC000284602851 218097086 /nfs/dbraw/zinc/09/70/86/218097086.db2.gz ANAFXYYDYIAMQP-KBPBESRZSA-N 1 0 302.378 1.125 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(CC(=O)N(C2CC2)C2CCCC2)C[C@H]1C ZINC000105824222 194137665 /nfs/dbraw/zinc/13/76/65/194137665.db2.gz SMPRKRXQBBVPQQ-HUUCEWRRSA-N 1 0 323.481 1.307 10 0 DDAERO CCCCc1noc(CN2CC[N@H+](C[C@@H](C)O)[C@H](CC)C2)n1 ZINC000105826859 194137881 /nfs/dbraw/zinc/13/78/81/194137881.db2.gz ABZCEMTWQKQWAR-ZIAGYGMSSA-N 1 0 310.442 1.689 10 0 DDAERO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2nc(C(C)(C)C)no2)CC1 ZINC000105862536 194150085 /nfs/dbraw/zinc/15/00/85/194150085.db2.gz GVJGHACRHHUJNJ-CYBMUJFWSA-N 1 0 324.469 1.892 10 0 DDAERO CCOC(=O)[C@H](C)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863585 194150248 /nfs/dbraw/zinc/15/02/48/194150248.db2.gz WEKHCODDDPFMKJ-AWEZNQCLSA-N 1 0 308.426 1.231 10 0 DDAERO COCC[N@@H+]1CCN(C[C@H](O)c2c(F)cccc2F)C[C@H]1C ZINC000105833844 194142909 /nfs/dbraw/zinc/14/29/09/194142909.db2.gz CYFBHQPUIJHWEO-DOMZBBRYSA-N 1 0 314.376 1.651 10 0 DDAERO CCc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cc1 ZINC000105870889 194151865 /nfs/dbraw/zinc/15/18/65/194151865.db2.gz IIMQYMMJUYJFAB-IUODEOHRSA-N 1 0 313.405 1.772 10 0 DDAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)CC2 ZINC000105874052 194152807 /nfs/dbraw/zinc/15/28/07/194152807.db2.gz RPTPKNDQNARLQZ-UKRRQHHQSA-N 1 0 313.405 1.533 10 0 DDAERO CCc1nccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCCCOC)C1 ZINC000105897276 194161964 /nfs/dbraw/zinc/16/19/64/194161964.db2.gz RDNVBMKDFMZFEM-LSDHHAIUSA-N 1 0 322.453 1.624 10 0 DDAERO C[NH+](C)C[C@@H]1CN(Cc2cnn(-c3ccccc3)c2)CCO1 ZINC000105926061 194170393 /nfs/dbraw/zinc/17/03/93/194170393.db2.gz RMZKCELYLJZPMU-QGZVFWFLSA-N 1 0 300.406 1.635 10 0 DDAERO Cc1ccccc1NC(=O)[C@H](C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105926033 194171118 /nfs/dbraw/zinc/17/11/18/194171118.db2.gz XZSIUGZADVSUGK-LSDHHAIUSA-N 1 0 305.422 1.584 10 0 DDAERO CCOc1ccccc1NC(=O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000105925750 194171288 /nfs/dbraw/zinc/17/12/88/194171288.db2.gz MQFCUBRKLJVXAG-AWEZNQCLSA-N 1 0 321.421 1.286 10 0 DDAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)Nc1ccccc1Cl ZINC000105932718 194173597 /nfs/dbraw/zinc/17/35/97/194173597.db2.gz MBVDGMFTDILAEU-VXGBXAGGSA-N 1 0 311.813 1.587 10 0 DDAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)N(C)Cc1cccc(F)c1 ZINC000105932772 194173648 /nfs/dbraw/zinc/17/36/48/194173648.db2.gz ATUBFMWFDRMNTD-BBRMVZONSA-N 1 0 323.412 1.093 10 0 DDAERO CN1CCO[C@H](CNC(=O)c2cscc2Br)C1 ZINC000285082487 218282705 /nfs/dbraw/zinc/28/27/05/218282705.db2.gz FZWRSHQGVDFVEF-MRVPVSSYSA-N 1 0 319.224 1.571 10 0 DDAERO CN(C[C@H]1CCCCO1)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000048950690 183699062 /nfs/dbraw/zinc/69/90/62/183699062.db2.gz PDGPPTVATWTAKE-LLVKDONJSA-N 1 0 318.464 1.439 10 0 DDAERO Cc1nc(C)c([C@@H](C)NS(=O)(=O)C[C@@H]2CCC[NH2+]2)s1 ZINC000049646252 183751584 /nfs/dbraw/zinc/75/15/84/183751584.db2.gz NTKGINDPXYXQPW-KOLCDFICSA-N 1 0 303.453 1.492 10 0 DDAERO [NH3+]C[C@@H]1CCN(CC(=O)c2ccc(Br)s2)C1 ZINC000050250152 183779339 /nfs/dbraw/zinc/77/93/39/183779339.db2.gz OQAXSKOPWSVJRR-QMMMGPOBSA-N 1 0 303.225 1.974 10 0 DDAERO CCNc1ccc(S(=O)(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000050657433 183795583 /nfs/dbraw/zinc/79/55/83/183795583.db2.gz MZLKDWJPQSLPTG-UHFFFAOYSA-N 1 0 311.451 1.833 10 0 DDAERO Cc1nnc(SCCCC[C@](C)([NH2+]C(C)C)C(N)=O)o1 ZINC000051038903 183812622 /nfs/dbraw/zinc/81/26/22/183812622.db2.gz CJQKFYPSOJFSHX-ZDUSSCGKSA-N 1 0 300.428 1.882 10 0 DDAERO CCC[C@@H](C(N)=S)[NH+]1CCN(C(=O)CC(F)(F)F)CC1 ZINC000109463749 194265952 /nfs/dbraw/zinc/26/59/52/194265952.db2.gz IZBOWACJTLQGPX-VIFPVBQESA-N 1 0 311.373 1.538 10 0 DDAERO O=C(CC[C@@H]1CCCC[NH2+]1)N1CCN(CC(F)(F)F)CC1 ZINC000050950399 183809023 /nfs/dbraw/zinc/80/90/23/183809023.db2.gz OPQGFRBKYBATPB-LBPRGKRZSA-N 1 0 307.360 1.615 10 0 DDAERO FC(F)(F)c1cc(Cl)c2nnc(CN3CC[NH2+]CC3)n2c1 ZINC000051640137 183833203 /nfs/dbraw/zinc/83/32/03/183833203.db2.gz PPNFLJNEXLLJLA-UHFFFAOYSA-N 1 0 319.718 1.807 10 0 DDAERO C[NH2+]C[C@H](Cc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000052950011 183881528 /nfs/dbraw/zinc/88/15/28/183881528.db2.gz ODFYZXCLLVOMEL-NEPJUHHUSA-N 1 0 303.374 1.778 10 0 DDAERO C[NH2+]C[C@@H](CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 ZINC000052950040 183881621 /nfs/dbraw/zinc/88/16/21/183881621.db2.gz ICKPRSTZZTVJTJ-NEPJUHHUSA-N 1 0 302.465 1.654 10 0 DDAERO CC[NH2+][C@@H](c1ccccc1)[C@@H](C)CN1CCS(=O)(=O)CC1 ZINC000053940088 183916983 /nfs/dbraw/zinc/91/69/83/183916983.db2.gz LWBJCYDGWQHVJP-GOEBONIOSA-N 1 0 310.463 1.704 10 0 DDAERO C[C@H]1C[C@H](C)CN(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000110792287 194359361 /nfs/dbraw/zinc/35/93/61/194359361.db2.gz AFCDASFEYBFOJQ-IHRRRGAJSA-N 1 0 303.472 1.188 10 0 DDAERO CC(C)NS(=O)(=O)c1ccccc1NCC[C@H]1CC[NH2+]C1 ZINC000110798682 194359967 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WHJZAODVDQUNJN-AAEUAGOBSA-N 1 0 314.838 1.270 10 0 DDAERO CC(C)C(=O)Nc1ccc(NC(=O)C2([NH3+])CCOCC2)cc1 ZINC000262390272 407822883 /nfs/dbraw/zinc/82/28/83/407822883.db2.gz ZTBVEPXQCICWAJ-UHFFFAOYSA-N 1 0 305.378 1.728 10 0 DDAERO CC[C@H]1CN(C(=O)Cc2cccc(O)c2)CC[N@@H+]1CCOC ZINC000117426140 407835325 /nfs/dbraw/zinc/83/53/25/407835325.db2.gz JQASWMDYTXOIBL-HNNXBMFYSA-N 1 0 306.406 1.504 10 0 DDAERO CC[C@H]1CN(C(=O)NCCCn2cccn2)CC[N@@H+]1CCOC ZINC000117475627 407837868 /nfs/dbraw/zinc/83/78/68/407837868.db2.gz NSFOHUVLLHZGND-HNNXBMFYSA-N 1 0 323.441 1.025 10 0 DDAERO CN(C)S(=O)(=O)c1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000262509502 407854511 /nfs/dbraw/zinc/85/45/11/407854511.db2.gz MVQZGEXWURSBCV-NUEKZKHPSA-N 1 0 323.462 1.106 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000262512084 407854768 /nfs/dbraw/zinc/85/47/68/407854768.db2.gz JSBPONGKAZPKHJ-KKUMJFAQSA-N 1 0 308.378 1.281 10 0 DDAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2cc(N3CCOCC3)ccn2)C1 ZINC000133583771 407860446 /nfs/dbraw/zinc/86/04/46/407860446.db2.gz AMTOBCFSLHDQJH-KGLIPLIRSA-N 1 0 318.421 1.131 10 0 DDAERO COc1cc(C)cc(C)c1S(=O)(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000262739272 407912158 /nfs/dbraw/zinc/91/21/58/407912158.db2.gz BKOILUWLQCNDLU-OLZOCXBDSA-N 1 0 312.435 1.718 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C1CCC(C(=O)OC)CC1 ZINC000180312475 407875134 /nfs/dbraw/zinc/87/51/34/407875134.db2.gz PEJVHVAJFDDKTJ-NRXISQOPSA-N 1 0 310.438 1.909 10 0 DDAERO CCOC(=O)[C@@H](c1ccccc1)N1CC[NH+](C[C@H](O)CC)CC1 ZINC000173459703 407880532 /nfs/dbraw/zinc/88/05/32/407880532.db2.gz PLZRNHMZRAKWNG-IAGOWNOFSA-N 1 0 320.433 1.679 10 0 DDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H](CC(N)=O)c1cccc(Cl)c1 ZINC000262646163 407890036 /nfs/dbraw/zinc/89/00/36/407890036.db2.gz UTVLBPCJCXGEJU-MRCXROJRSA-N 1 0 311.813 1.746 10 0 DDAERO CCC(CC)n1nc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1C ZINC000180552362 407898490 /nfs/dbraw/zinc/89/84/90/407898490.db2.gz NJKQRYWCUDGTCV-OAHLLOKOSA-N 1 0 322.453 1.955 10 0 DDAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000262725699 407910358 /nfs/dbraw/zinc/91/03/58/407910358.db2.gz HCWSDZQLQSDKON-DYEKYZERSA-N 1 0 304.394 1.311 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(CCC(=O)N(C)c2ccccc2)CC1 ZINC000135105616 407976563 /nfs/dbraw/zinc/97/65/63/407976563.db2.gz YFWPKMCHTRFGSO-KRWDZBQOSA-N 1 0 319.449 1.428 10 0 DDAERO CCCCc1noc([C@@H](C)N2CC[NH+](C[C@@H](O)CC)CC2)n1 ZINC000174083754 407913905 /nfs/dbraw/zinc/91/39/05/407913905.db2.gz LKVBFOQOYSOKQR-KGLIPLIRSA-N 1 0 310.442 1.862 10 0 DDAERO CCS[C@H](C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1)C(C)C ZINC000174346616 407934957 /nfs/dbraw/zinc/93/49/57/407934957.db2.gz CRDQFIISUZYQGX-MCIONIFRSA-N 1 0 302.484 1.678 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)CC(C)(C)C ZINC000175000059 408027245 /nfs/dbraw/zinc/02/72/45/408027245.db2.gz RXRZBMZLHQRDQA-ZIAGYGMSSA-N 1 0 309.454 1.624 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000263116304 408028872 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CCOCC[N@@H+]1CCN(Cc2ncnn2CC(C)C)C[C@H]1C ZINC000245515834 408004702 /nfs/dbraw/zinc/00/47/02/408004702.db2.gz DYJQOJSZNLVQJU-OAHLLOKOSA-N 1 0 309.458 1.477 10 0 DDAERO COCC[C@@](C)(O)CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000174917002 408007574 /nfs/dbraw/zinc/00/75/74/408007574.db2.gz SNUDVRADILQUPV-DOTOQJQBSA-N 1 0 308.422 1.063 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(N(C)C)nc1 ZINC000174990540 408022459 /nfs/dbraw/zinc/02/24/59/408022459.db2.gz YVEQUMNGNBXZBV-HUUCEWRRSA-N 1 0 302.422 1.846 10 0 DDAERO CC[C@H]1CN(Cc2cc(OC)cc(OC)c2)CC[N@@H+]1C[C@H](C)O ZINC000245754850 408059321 /nfs/dbraw/zinc/05/93/21/408059321.db2.gz OKYSNHCHMLQRSY-HOCLYGCPSA-N 1 0 322.449 1.981 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(Cc2cc(F)c(F)c(F)c2)C[C@H]1C ZINC000245803393 408072117 /nfs/dbraw/zinc/07/21/17/408072117.db2.gz YEUCFLOTYVCBMC-MNOVXSKESA-N 1 0 302.340 1.991 10 0 DDAERO CN1CC[NH2+]C[C@@H]1c1noc(Cc2ccc3c(c2)OCCO3)n1 ZINC000263251154 408077186 /nfs/dbraw/zinc/07/71/86/408077186.db2.gz PZFKDBKILQLEQJ-GFCCVEGCSA-N 1 0 316.361 1.008 10 0 DDAERO CCOCCN1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000119521277 408087016 /nfs/dbraw/zinc/08/70/16/408087016.db2.gz LAGQZSMICTXRTP-MRXNPFEDSA-N 1 0 311.470 1.288 10 0 DDAERO CCN(C)C(=O)CC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000182193875 408090631 /nfs/dbraw/zinc/09/06/31/408090631.db2.gz NCTNTQXVJVONIF-LBPRGKRZSA-N 1 0 312.435 1.609 10 0 DDAERO CCCOc1c(CNC[C@H]2C[NH2+]C[C@@H]2O)cccc1OCC ZINC000263295407 408093024 /nfs/dbraw/zinc/09/30/24/408093024.db2.gz WEIGOVLXOASFNX-GJZGRUSLSA-N 1 0 308.422 1.544 10 0 DDAERO CN1CC[NH2+]C[C@H]1c1noc(-c2coc(-c3ccccc3)n2)n1 ZINC000263291735 408094106 /nfs/dbraw/zinc/09/41/06/408094106.db2.gz VTVIVRMSKPHQLE-ZDUSSCGKSA-N 1 0 311.345 1.968 10 0 DDAERO Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000245921869 408098981 /nfs/dbraw/zinc/09/89/81/408098981.db2.gz WZZCYBBWDVTQLS-FRRDWIJNSA-N 1 0 322.453 1.434 10 0 DDAERO CCOCC[N@@H+]1CCN([C@H](C)CN2CCOCC2)C[C@H]1CC ZINC000246018099 408123558 /nfs/dbraw/zinc/12/35/58/408123558.db2.gz LDLWZLXDNLJAOF-IAGOWNOFSA-N 1 0 313.486 1.140 10 0 DDAERO CN(Cc1cc2ccccc2o1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000175466996 408136736 /nfs/dbraw/zinc/13/67/36/408136736.db2.gz ROXDXXMEEODJOS-HNNXBMFYSA-N 1 0 317.389 1.905 10 0 DDAERO CC[NH+](CC)[C@@H](CNC(=O)N1CC(NC(C)=O)C1)c1ccco1 ZINC000189957518 408140044 /nfs/dbraw/zinc/14/00/44/408140044.db2.gz XTTGEQRBRFLNNX-AWEZNQCLSA-N 1 0 322.409 1.192 10 0 DDAERO COc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c(OC)c1 ZINC000120950900 408149364 /nfs/dbraw/zinc/14/93/64/408149364.db2.gz DNJYUHSZHXQSFH-OAHLLOKOSA-N 1 0 306.406 1.610 10 0 DDAERO COCC[N@@H+]1CCN(Cc2ccc(C(=O)OC)c(F)c2)C[C@H]1C ZINC000151055457 408247997 /nfs/dbraw/zinc/24/79/97/408247997.db2.gz GZJJZRVNJKKIPT-CYBMUJFWSA-N 1 0 324.396 1.765 10 0 DDAERO CCNC(=O)C(C)(C)CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000246446266 408259725 /nfs/dbraw/zinc/25/97/25/408259725.db2.gz NXGNBCGHCCMOAI-KBPBESRZSA-N 1 0 324.469 1.417 10 0 DDAERO Cc1ccncc1NC(=O)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000150799048 408203549 /nfs/dbraw/zinc/20/35/49/408203549.db2.gz HQGISEYOEICJSE-JSGCOSHPSA-N 1 0 304.394 1.173 10 0 DDAERO C[C@H]1OCCC[C@H]1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000190783635 408318496 /nfs/dbraw/zinc/31/84/96/408318496.db2.gz NGNFKQUWELXLCG-RHSMWYFYSA-N 1 0 323.481 1.476 10 0 DDAERO COc1ccc(OC)c(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000183111129 408329175 /nfs/dbraw/zinc/32/91/75/408329175.db2.gz HOYBELGXRWQINR-FZMZJTMJSA-N 1 0 308.378 1.799 10 0 DDAERO CCOCCNC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190690441 408302741 /nfs/dbraw/zinc/30/27/41/408302741.db2.gz NHDFUENKOTZQPF-INIZCTEOSA-N 1 0 320.437 1.581 10 0 DDAERO COCCN(C)c1ccc(C[NH2+]CCn2cc(C)cn2)cn1 ZINC000190976073 408350222 /nfs/dbraw/zinc/35/02/22/408350222.db2.gz LPNVKMBUECRNNR-UHFFFAOYSA-N 1 0 303.410 1.459 10 0 DDAERO CCc1noc(CC)c1CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000176428670 408362027 /nfs/dbraw/zinc/36/20/27/408362027.db2.gz 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CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCO[C@@H]2c2ccnn2C)C1 ZINC000908098506 712686679 /nfs/dbraw/zinc/68/66/79/712686679.db2.gz QQEUIHPXRPLZEH-YCPHGPKFSA-N 1 0 320.437 1.488 10 0 DDAERO CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H](n3cc(C4CC4)nn3)C2)C1=O ZINC000931119550 714006591 /nfs/dbraw/zinc/00/65/91/714006591.db2.gz HNYLIVPGISYMTC-UKRRQHHQSA-N 1 0 303.410 1.412 10 0 DDAERO Cc1ccc(CC(=O)N2CCN(C(=O)CC[NH+](C)C)CC2)cc1 ZINC000074578800 184999820 /nfs/dbraw/zinc/99/98/20/184999820.db2.gz KMXAKDSELWBGTE-UHFFFAOYSA-N 1 0 317.433 1.160 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[S@@](C)=O ZINC000248444396 282083698 /nfs/dbraw/zinc/08/36/98/282083698.db2.gz FXEPHTMJGDAPSY-MRRFBWAASA-N 1 0 303.472 1.173 10 0 DDAERO CC[C@@H]1CN(C(=O)NCCCCSC)CC[N@@H+]1C[C@H](C)O ZINC000248448980 282083820 /nfs/dbraw/zinc/08/38/20/282083820.db2.gz DWTYCELZDDFNRL-UONOGXRCSA-N 1 0 317.499 1.616 10 0 DDAERO CC[C@@H]1CN(C(=O)NC[C@H](C)SC)CC[N@@H+]1C[C@H](C)O ZINC000248504262 282088118 /nfs/dbraw/zinc/08/81/18/282088118.db2.gz VJNYCMPQHDRRCB-RWMBFGLXSA-N 1 0 303.472 1.225 10 0 DDAERO CC(C)n1c(S[C@H]2COc3ccccc3[C@H]2[NH3+])n[nH]c1=O ZINC000081879471 192333872 /nfs/dbraw/zinc/33/38/72/192333872.db2.gz GNRUUCMAPWZBRL-NWDGAFQWSA-N 1 0 306.391 1.705 10 0 DDAERO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000081902548 192336951 /nfs/dbraw/zinc/33/69/51/192336951.db2.gz DOIPIPRJWXFYOG-QMMMGPOBSA-N 1 0 305.783 1.591 10 0 DDAERO COC(=O)CC[N@H+](CCOCC(F)(F)F)C[C@H]1CCCO1 ZINC000096593116 185384239 /nfs/dbraw/zinc/38/42/39/185384239.db2.gz MXCFFPVDGUGZRL-LLVKDONJSA-N 1 0 313.316 1.609 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)c2cccnc2C(F)(F)F)CCO1 ZINC000188387269 282139456 /nfs/dbraw/zinc/13/94/56/282139456.db2.gz LQKZICNCHFHRSF-JTQLQIEISA-N 1 0 317.311 1.503 10 0 DDAERO [NH3+][C@@H]1CCOC[C@H]1S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000081935708 192343168 /nfs/dbraw/zinc/34/31/68/192343168.db2.gz GBLJCKKZOZOHPL-GHMZBOCLSA-N 1 0 309.309 1.595 10 0 DDAERO CC[NH2+][C@H](C)c1ccc(OC)c(CS(=O)(=O)CCOC)c1 ZINC000081944130 192343601 /nfs/dbraw/zinc/34/36/01/192343601.db2.gz FJYFIVKRBYPEKQ-GFCCVEGCSA-N 1 0 315.435 1.927 10 0 DDAERO CCCc1cc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)n(C)n1 ZINC000181293376 199277091 /nfs/dbraw/zinc/27/70/91/199277091.db2.gz OYRMGJLHGQZCCE-CYBMUJFWSA-N 1 0 309.414 1.167 10 0 DDAERO CC[NH2+][C@@H]1CCOC[C@H]1S(=O)(=O)c1cc(F)ccc1F ZINC000081945940 192345662 /nfs/dbraw/zinc/34/56/62/192345662.db2.gz FQCZEARGXAODPY-DGCLKSJQSA-N 1 0 305.346 1.506 10 0 DDAERO O[C@@H]1C[NH2+]C[C@@H]1Oc1ccc(I)cc1 ZINC000082524973 185190767 /nfs/dbraw/zinc/19/07/67/185190767.db2.gz RCMIJEOTVXEHHB-ZJUUUORDSA-N 1 0 305.115 1.003 10 0 DDAERO C[NH2+][C@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000081962166 192346197 /nfs/dbraw/zinc/34/61/97/192346197.db2.gz YLFPYEDWIZOALS-RYUDHWBXSA-N 1 0 307.774 1.630 10 0 DDAERO CC(C)([C@H](O)[C@@H](C[NH3+])c1ccc(F)cc1Cl)S(C)(=O)=O ZINC000087380786 185223062 /nfs/dbraw/zinc/22/30/62/185223062.db2.gz VIIAOKZWRPGYBB-CMPLNLGQSA-N 1 0 323.817 1.706 10 0 DDAERO CCOc1ccc(S(=O)(=O)N[C@@H](CC)C[NH3+])cc1OCC ZINC000087386424 185223253 /nfs/dbraw/zinc/22/32/53/185223253.db2.gz WORZQDINFIOWII-NSHDSACASA-N 1 0 316.423 1.500 10 0 DDAERO CCC[C@H](C[NH3+])C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000087517901 185227497 /nfs/dbraw/zinc/22/74/97/185227497.db2.gz OCBRLTBBVYNHMI-LLVKDONJSA-N 1 0 313.423 1.250 10 0 DDAERO CC[C@@H](C[NH3+])C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000087532919 185227642 /nfs/dbraw/zinc/22/76/42/185227642.db2.gz RZYYDTAPTPXVKU-STQMWFEESA-N 1 0 311.451 1.223 10 0 DDAERO [NH3+]C1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000087589744 185228881 /nfs/dbraw/zinc/22/88/81/185228881.db2.gz NIHMOSVFGBIRML-UHFFFAOYSA-N 1 0 314.716 1.690 10 0 DDAERO [NH3+]C1CN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C1 ZINC000087589770 185229007 /nfs/dbraw/zinc/22/90/07/185229007.db2.gz DSEJEGNBFMHSSF-UHFFFAOYSA-N 1 0 312.725 1.273 10 0 DDAERO [NH3+]C1CC(O)(Cc2ccc(I)cc2)C1 ZINC000087652872 185229860 /nfs/dbraw/zinc/22/98/60/185229860.db2.gz NBLGQMNDERAAQJ-UHFFFAOYSA-N 1 0 303.143 1.686 10 0 DDAERO Cc1nnc(SCC(=O)N[C@@H]2CCCC[C@H]2C)n1CC[NH3+] ZINC000087711532 185230876 /nfs/dbraw/zinc/23/08/76/185230876.db2.gz VRDYLPBNGHPJTF-ZYHUDNBSSA-N 1 0 311.455 1.332 10 0 DDAERO CC[NH2+][C@H]1c2ccccc2CC[C@@H]1S(=O)(=O)CC(=O)OC ZINC000081976591 192347512 /nfs/dbraw/zinc/34/75/12/192347512.db2.gz OYUVSNBYTULABC-ZFWWWQNUSA-N 1 0 311.403 1.240 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(I)cc1 ZINC000088002573 185238043 /nfs/dbraw/zinc/23/80/43/185238043.db2.gz ILYPRAIUIGHONH-SECBINFHSA-N 1 0 320.130 1.203 10 0 DDAERO O=S(=O)([C@H]1CC[NH2+]C1)N1CCC(Cc2ccccc2)CC1 ZINC000088056292 185238507 /nfs/dbraw/zinc/23/85/07/185238507.db2.gz WKQZDMIIGAKSOQ-INIZCTEOSA-N 1 0 308.447 1.633 10 0 DDAERO [NH3+]CC[S@@](=O)CC(=O)Nc1ccc(Br)cc1 ZINC000088062847 185238634 /nfs/dbraw/zinc/23/86/34/185238634.db2.gz JDIUGTGTXQNSTJ-INIZCTEOSA-N 1 0 305.197 1.095 10 0 DDAERO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc3nc(N)sc3c2)C1 ZINC000087847537 185233396 /nfs/dbraw/zinc/23/33/96/185233396.db2.gz BQMZITRBXMZQFA-SNVBAGLBSA-N 1 0 304.419 1.950 10 0 DDAERO CCc1cc(N(C)CC2CC[NH+](CC(=O)NC)CC2)nc(C)n1 ZINC000302028159 529528341 /nfs/dbraw/zinc/52/83/41/529528341.db2.gz ATUYJUJCSFIDOH-UHFFFAOYSA-N 1 0 319.453 1.242 10 0 DDAERO NNc1nc(NC[C@@H]2CCCOC2)c(Br)c[nH+]1 ZINC000087868208 185234115 /nfs/dbraw/zinc/23/41/15/185234115.db2.gz LZUWTEUYYJDKQE-ZETCQYMHSA-N 1 0 302.176 1.363 10 0 DDAERO NNc1nc(N[C@H]2CCCC[C@@H]2O)c(Br)c[nH+]1 ZINC000087869368 185234119 /nfs/dbraw/zinc/23/41/19/185234119.db2.gz IFZUJSMQFBESGM-YUMQZZPRSA-N 1 0 302.176 1.240 10 0 DDAERO Nc1cc(NC(=O)CC[N@@H+]2CCCNC(=O)C2)ccc1Cl ZINC000087882583 185234290 /nfs/dbraw/zinc/23/42/90/185234290.db2.gz DFVBINHHUVGWHP-UHFFFAOYSA-N 1 0 310.785 1.073 10 0 DDAERO CC(C)C(=O)NCCCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000158694058 539217372 /nfs/dbraw/zinc/21/73/72/539217372.db2.gz HNDYEVNPZPLWIF-INIZCTEOSA-N 1 0 319.449 1.438 10 0 DDAERO COC[C@@H](O)CC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000153755560 290652908 /nfs/dbraw/zinc/65/29/08/290652908.db2.gz YKRHGBNASKHOIJ-KBPBESRZSA-N 1 0 316.442 1.621 10 0 DDAERO COc1ccc(NC[C@H](O)C[NH+](C)C)cc1Br ZINC000088320093 185245573 /nfs/dbraw/zinc/24/55/73/185245573.db2.gz KREMDJYRZIEXKZ-JTQLQIEISA-N 1 0 303.200 1.792 10 0 DDAERO CCCCS(=O)(=O)C[C@H]([NH2+]C)c1ccc2c(c1)OCCO2 ZINC000081974176 192348443 /nfs/dbraw/zinc/34/84/43/192348443.db2.gz ZDPFBTLRJWYXGY-ZDUSSCGKSA-N 1 0 313.419 1.933 10 0 DDAERO CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1S(=O)(=O)CCC(=O)OC ZINC000081975342 192348515 /nfs/dbraw/zinc/34/85/15/192348515.db2.gz QFKONQCWWIJQOY-MJBXVCDLSA-N 1 0 319.467 1.767 10 0 DDAERO CCC[NH2+][C@@H]1CCCCC[C@@H]1S(=O)(=O)CCC(=O)OC ZINC000081975055 192348516 /nfs/dbraw/zinc/34/85/16/192348516.db2.gz ZLCBUJGNNGJVNX-OLZOCXBDSA-N 1 0 305.440 1.665 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)Nc1ccc(C)c(Cl)c1)C(C)C ZINC000183651903 539242557 /nfs/dbraw/zinc/24/25/57/539242557.db2.gz DVXDXZWHNLTWSV-CQSZACIVSA-N 1 0 311.813 1.947 10 0 DDAERO CNC(=O)[C@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)C(C)C ZINC000183633769 539242606 /nfs/dbraw/zinc/24/26/06/539242606.db2.gz SSUITJHNTCQAKP-CQSZACIVSA-N 1 0 317.389 1.033 10 0 DDAERO Cc1cc(=O)[nH]c(SC[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)n1 ZINC000088398309 185248324 /nfs/dbraw/zinc/24/83/24/185248324.db2.gz IDQIZBAIROMSQU-QWHCGFSZSA-N 1 0 305.403 1.101 10 0 DDAERO [NH3+][C@H](Cc1ccccc1)[C@@H](O)CN(CC(F)(F)F)C1CC1 ZINC000088397553 185248480 /nfs/dbraw/zinc/24/84/80/185248480.db2.gz DNZPUMDHAJWXHC-KGLIPLIRSA-N 1 0 302.340 1.944 10 0 DDAERO CN(CCC(F)(F)F)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000088431647 185249602 /nfs/dbraw/zinc/24/96/02/185249602.db2.gz REWZOAWSEWAYEM-JTQLQIEISA-N 1 0 302.362 1.733 10 0 DDAERO CC[NH2+][C@@H](Cc1nc2ccccc2o1)[C@@H]1CCS(=O)(=O)C1 ZINC000088518462 185254651 /nfs/dbraw/zinc/25/46/51/185254651.db2.gz VRPNTYMKFOULOC-YPMHNXCESA-N 1 0 308.403 1.783 10 0 DDAERO CSc1ccccc1S(=O)(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193457820 295685509 /nfs/dbraw/zinc/68/55/09/295685509.db2.gz CVRRUQMZLUWAAA-WDEREUQCSA-N 1 0 300.449 1.827 10 0 DDAERO Cn1ncnc1C[C@@H](C[NH3+])Cc1cccc(Br)c1 ZINC000088582967 185258418 /nfs/dbraw/zinc/25/84/18/185258418.db2.gz TVLAQDNTCWXMGF-NSHDSACASA-N 1 0 309.211 1.938 10 0 DDAERO CC(C)[C@H](C[NH+](C)C)NC(=O)c1sc2nccnc2c1N ZINC000088641917 185260978 /nfs/dbraw/zinc/26/09/78/185260978.db2.gz HDBUUAPVKNCYEZ-VIFPVBQESA-N 1 0 307.423 1.590 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC[C@H]1CCO ZINC000253203127 282212595 /nfs/dbraw/zinc/21/25/95/282212595.db2.gz FHDQMUYLNIJVAB-XHSDSOJGSA-N 1 0 311.470 1.957 10 0 DDAERO O=S1(=O)C=C[C@H]([NH2+][C@@H]2CCN(CCc3ccccc3)C2)C1 ZINC000088855332 185267258 /nfs/dbraw/zinc/26/72/58/185267258.db2.gz OTAOXAMXDLSDRC-CVEARBPZSA-N 1 0 306.431 1.204 10 0 DDAERO CS(=O)(=O)c1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000081990835 192350733 /nfs/dbraw/zinc/35/07/33/192350733.db2.gz XUBRRMNVCJCNBJ-CHWSQXEVSA-N 1 0 317.432 1.134 10 0 DDAERO CC[NH2+]Cc1cn(Cc2c(Br)c(C)nn2C)nn1 ZINC000090296228 185289835 /nfs/dbraw/zinc/28/98/35/185289835.db2.gz YRHBEYVHQYQMBC-UHFFFAOYSA-N 1 0 313.203 1.240 10 0 DDAERO CCCN(Cc1nc(=O)c2c(C)c(C)sc2[nH]1)C1C[NH2+]C1 ZINC000090293833 185290073 /nfs/dbraw/zinc/29/00/73/185290073.db2.gz MPDLUKDMKADCQX-UHFFFAOYSA-N 1 0 306.435 1.785 10 0 DDAERO CCCN(C1C[NH2+]C1)S(=O)(=O)c1c(F)cc(F)cc1F ZINC000090293223 185290085 /nfs/dbraw/zinc/29/00/85/185290085.db2.gz JSIFXTVJIOTCFP-UHFFFAOYSA-N 1 0 308.325 1.476 10 0 DDAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000090311471 185290534 /nfs/dbraw/zinc/29/05/34/185290534.db2.gz LDVIQHRWXZTZGC-TUAOUCFPSA-N 1 0 302.296 1.940 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NS(=O)(=O)c1ccccc1Cl ZINC000090312895 185290624 /nfs/dbraw/zinc/29/06/24/185290624.db2.gz GYFKFJYUENBFML-FOGDFJRCSA-N 1 0 304.799 1.123 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1S(=O)(=O)CCc1ccccc1 ZINC000090336976 185291809 /nfs/dbraw/zinc/29/18/09/185291809.db2.gz KETWKPAGUDSIEM-GJZGRUSLSA-N 1 0 308.447 1.489 10 0 DDAERO Cc1cc(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@@H]3C2(C)C)c(C)s1 ZINC000090337037 185291904 /nfs/dbraw/zinc/29/19/04/185291904.db2.gz GUIJCTYWLCLZSJ-RYUDHWBXSA-N 1 0 314.476 1.983 10 0 DDAERO [NH3+][C@H]1COC[C@@H]1c1nc(Cc2ccccc2Br)no1 ZINC000090364738 185292793 /nfs/dbraw/zinc/29/27/93/185292793.db2.gz FFFVDOMBSGAMAT-ONGXEEELSA-N 1 0 324.178 1.864 10 0 DDAERO [NH3+][C@@H]1COC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000090364565 185292807 /nfs/dbraw/zinc/29/28/07/185292807.db2.gz VWLUMAYEFFDBDV-PSASIEDQSA-N 1 0 310.151 1.940 10 0 DDAERO COCCC[S@@](=O)C[C@@H]([NH3+])c1ccc(OC)cc1OC ZINC000081998141 192352724 /nfs/dbraw/zinc/35/27/24/192352724.db2.gz ANIRVTKGNUEVSV-XCLFUZPHSA-N 1 0 301.408 1.489 10 0 DDAERO COC(=O)CCS(=O)(=O)[C@@H](C)[C@H]([NH3+])c1ccc(OC)cc1 ZINC000082004574 192353976 /nfs/dbraw/zinc/35/39/76/192353976.db2.gz UMOUKPQWLXZPQX-HZMBPMFUSA-N 1 0 315.391 1.061 10 0 DDAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(Br)cn1 ZINC000090488340 185298942 /nfs/dbraw/zinc/29/89/42/185298942.db2.gz WUCJDBBERUQMCE-NXEZZACHSA-N 1 0 314.183 1.407 10 0 DDAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000090489578 185298948 /nfs/dbraw/zinc/29/89/48/185298948.db2.gz HLPMVKDWMKJKFV-MMVSWEMESA-N 1 0 308.344 1.848 10 0 DDAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccccc1OC(F)F ZINC000090488434 185298958 /nfs/dbraw/zinc/29/89/58/185298958.db2.gz KTGMSOUFODFLDX-GXSJLCMTSA-N 1 0 300.305 1.851 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1C(=O)NCCc1ccc(Cl)cc1Cl ZINC000090431979 185295977 /nfs/dbraw/zinc/29/59/77/185295977.db2.gz VIOLMWREWRXPTD-AAEUAGOBSA-N 1 0 317.216 1.887 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)N(C)Cc1ccc(Br)o1 ZINC000090435429 185296224 /nfs/dbraw/zinc/29/62/24/185296224.db2.gz HLFZHSKBNXYYKM-VHSXEESVSA-N 1 0 317.183 1.235 10 0 DDAERO C[C@@]1(C(=O)NCc2cccc(Br)c2)COC[C@H]1[NH3+] ZINC000090600047 185305684 /nfs/dbraw/zinc/30/56/84/185305684.db2.gz HHUIKOLAWGKKGX-DGCLKSJQSA-N 1 0 313.195 1.429 10 0 DDAERO CCOCC(=O)N1CCCSC[C@@H]1C[NH+]1CCCCC1 ZINC000090701300 185310531 /nfs/dbraw/zinc/31/05/31/185310531.db2.gz RCHDRBYTNATQFS-AWEZNQCLSA-N 1 0 300.468 1.843 10 0 DDAERO CC[NH2+]CCCc1c(C)nn([C@@]2(C)CCS(=O)(=O)C2)c1C ZINC000092321819 185312229 /nfs/dbraw/zinc/31/22/29/185312229.db2.gz MIMHYKNCBPCORM-HNNXBMFYSA-N 1 0 313.467 1.576 10 0 DDAERO C[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]2c2nc(C3CC3)no2)C1 ZINC000090680817 185309251 /nfs/dbraw/zinc/30/92/51/185309251.db2.gz KFGXECVJATXYLV-CHWSQXEVSA-N 1 0 304.394 1.952 10 0 DDAERO CCC(CC)[C@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)N1CCOCC1 ZINC000173499335 282250862 /nfs/dbraw/zinc/25/08/62/282250862.db2.gz ANCYIPOENSRDLK-HZPDHXFCSA-N 1 0 311.470 1.286 10 0 DDAERO O=C(Nc1ccc(Cl)cc1Cl)c1cn(C2C[NH2+]C2)nn1 ZINC000092700047 185333675 /nfs/dbraw/zinc/33/36/75/185333675.db2.gz ZSGFSABWVZKTML-UHFFFAOYSA-N 1 0 312.160 1.982 10 0 DDAERO C[C@H](NC(=O)c1cn(C2C[NH2+]C2)nn1)c1cccc(Cl)c1 ZINC000092701531 185333883 /nfs/dbraw/zinc/33/38/83/185333883.db2.gz RLYRNDGSJXKSCJ-VIFPVBQESA-N 1 0 305.769 1.567 10 0 DDAERO CC[NH2+][C@@H](C)[C@@H]1CCCN(S(=O)(=O)c2cn(CC)cn2)C1 ZINC000092889726 185347978 /nfs/dbraw/zinc/34/79/78/185347978.db2.gz MZARBZCJRAMJKM-QWHCGFSZSA-N 1 0 314.455 1.302 10 0 DDAERO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000092952281 185350293 /nfs/dbraw/zinc/35/02/93/185350293.db2.gz FAEDNTSHCIZNIQ-SCZZXKLOSA-N 1 0 306.757 1.252 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccnc(OCCOC)c1 ZINC000181547574 199316318 /nfs/dbraw/zinc/31/63/18/199316318.db2.gz VEEJDZPBHUIPOD-OAHLLOKOSA-N 1 0 321.421 1.663 10 0 DDAERO CC(C)[NH+](CCNC(=O)c1ccc(C(N)=S)cn1)C(C)C ZINC000111282744 185573218 /nfs/dbraw/zinc/57/32/18/185573218.db2.gz VWDJQRYEKSNJHZ-UHFFFAOYSA-N 1 0 308.451 1.564 10 0 DDAERO CCOC(=O)CSc1c(C[NH2+]CCOC)c(C)nn1C ZINC000111563625 185613611 /nfs/dbraw/zinc/61/36/11/185613611.db2.gz HUAIZDFBETYHKV-UHFFFAOYSA-N 1 0 301.412 1.120 10 0 DDAERO Cc1nn(C)c(SCCS(C)(=O)=O)c1C[NH2+]C1CC1 ZINC000111553244 185612341 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CCC1CCC(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])(C(=O)OC)CC1 ZINC000261858775 282550882 /nfs/dbraw/zinc/55/08/82/282550882.db2.gz WODFKOUKFGCNAY-YXXKGXSTSA-N 1 0 310.438 1.990 10 0 DDAERO C[NH2+]CC[C@H]1CCCCN1S(=O)(=O)c1cncc(F)c1 ZINC000070192513 190870818 /nfs/dbraw/zinc/87/08/18/190870818.db2.gz YBWYWGAOARAEHR-GFCCVEGCSA-N 1 0 301.387 1.373 10 0 DDAERO COCCN1C(=O)C[C@H]([NH3+])[C@H]1c1ccc(Br)cc1 ZINC000070294613 190878613 /nfs/dbraw/zinc/87/86/13/190878613.db2.gz TWPNIMAIGSODCS-WCQYABFASA-N 1 0 313.195 1.696 10 0 DDAERO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cnccc1Cl ZINC000071204632 190941423 /nfs/dbraw/zinc/94/14/23/190941423.db2.gz QSFJBMCZRBHQDJ-JTQLQIEISA-N 1 0 305.831 1.744 10 0 DDAERO C[NH2+][C@H](C[S@](=O)c1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000084055599 192397553 /nfs/dbraw/zinc/39/75/53/192397553.db2.gz SDKQLDRYHKLFDZ-FZKQIMNGSA-N 1 0 301.433 1.196 10 0 DDAERO CCC[NH2+]CCC[S@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084056323 192397641 /nfs/dbraw/zinc/39/76/41/192397641.db2.gz BVWWVSAFYUPXFW-GOSISDBHSA-N 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C[C@@H]([NH3+])Cc1cc(F)c(OCCN2CCOCC2)c(F)c1 ZINC000094350246 193363403 /nfs/dbraw/zinc/36/34/03/193363403.db2.gz LEMUQYKLZGKWNF-LLVKDONJSA-N 1 0 300.349 1.566 10 0 DDAERO Cc1cc(Br)cnc1N1CCN(CCC[NH3+])CC1 ZINC000094050181 193341565 /nfs/dbraw/zinc/34/15/65/193341565.db2.gz OOIREWDYDOKSRV-UHFFFAOYSA-N 1 0 313.243 1.623 10 0 DDAERO [NH3+]CCCOC1CCN(c2ncc(Br)cn2)CC1 ZINC000094073329 193343265 /nfs/dbraw/zinc/34/32/65/193343265.db2.gz DJEWDOUPRUCLEP-UHFFFAOYSA-N 1 0 315.215 1.573 10 0 DDAERO CC[C@@H]([NH3+])Cc1ccc(OCCCS(=O)(=O)CC)cn1 ZINC000094216316 193349253 /nfs/dbraw/zinc/34/92/53/193349253.db2.gz SSVYFQCGJGXLOO-GFCCVEGCSA-N 1 0 300.424 1.565 10 0 DDAERO C[C@@]1(C2CC2)CN(CCS(C)(=O)=O)c2ccccc2C[NH2+]1 ZINC000094421152 193369013 /nfs/dbraw/zinc/36/90/13/193369013.db2.gz QSRJUTSNMIIZCP-INIZCTEOSA-N 1 0 308.447 1.810 10 0 DDAERO CC(C)[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H]1CCS(=O)(=O)C1 ZINC000094449411 193371087 /nfs/dbraw/zinc/37/10/87/193371087.db2.gz MNSPQNVUPNVLKY-ZNMIVQPWSA-N 1 0 300.468 1.226 10 0 DDAERO CCS(=O)(=O)N1CCC([NH2+][C@@H]2CSCC(C)(C)C2)CC1 ZINC000094486822 193372504 /nfs/dbraw/zinc/37/25/04/193372504.db2.gz IQDQZWBWWKXISP-ZDUSSCGKSA-N 1 0 320.524 1.922 10 0 DDAERO FC(F)(F)[C@@]1(c2nc([C@H]3CSCCO3)no2)CC[NH2+]C1 ZINC000094502146 193374652 /nfs/dbraw/zinc/37/46/52/193374652.db2.gz GUEDIAYAWBUUAQ-XCBNKYQSSA-N 1 0 309.313 1.668 10 0 DDAERO C[NH2+][C@@H](Cc1ccccc1Br)[C@H]1CN2CCN1CC2 ZINC000094509407 193375891 /nfs/dbraw/zinc/37/58/91/193375891.db2.gz DCOKEKGVJNEKNJ-LSDHHAIUSA-N 1 0 324.266 1.579 10 0 DDAERO COc1cc(C)c(N)cc1S(=O)(=O)N[C@H](C)CC[NH+](C)C ZINC000094512333 193376346 /nfs/dbraw/zinc/37/63/46/193376346.db2.gz ZVRQHTJBMHQWQQ-LLVKDONJSA-N 1 0 315.439 1.204 10 0 DDAERO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ncccc2Br)O1 ZINC000094572861 193381438 /nfs/dbraw/zinc/38/14/38/193381438.db2.gz YGKLYPMTZBHIGE-APPZFPTMSA-N 1 0 300.156 1.289 10 0 DDAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@H]1CC[C@H](C[NH3+])O1 ZINC000094571965 193381558 /nfs/dbraw/zinc/38/15/58/193381558.db2.gz APHLLPAKSJPIIH-MWLCHTKSSA-N 1 0 312.391 1.678 10 0 DDAERO [NH3+]C[C@@H]1CC[C@H](C(=O)NCc2cc(Br)cs2)O1 ZINC000094572308 193381717 /nfs/dbraw/zinc/38/17/17/193381717.db2.gz XHDFGRZIVZKDER-WCBMZHEXSA-N 1 0 319.224 1.633 10 0 DDAERO CCc1ccsc1CNS(=O)(=O)N(C)CCC[NH2+]C ZINC000094886930 193404959 /nfs/dbraw/zinc/40/49/59/193404959.db2.gz WVDPKULZAGIHMD-UHFFFAOYSA-N 1 0 305.469 1.186 10 0 DDAERO C[C@@](C[NH3+])(N1CCn2c(nnc2C(F)(F)F)C1)C1(C)CC1 ZINC000094952077 193408067 /nfs/dbraw/zinc/40/80/67/193408067.db2.gz MXOFORGGMFJEQN-LBPRGKRZSA-N 1 0 303.332 1.630 10 0 DDAERO CCOC(=O)[C@@H]1CSCCN1C(=O)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000094751233 193395534 /nfs/dbraw/zinc/39/55/34/193395534.db2.gz MKQLQQVXHOCMFE-AVGNSLFASA-N 1 0 314.451 1.401 10 0 DDAERO [NH3+][C@H]1CCCCC[C@H]1C(=O)N1CCN(c2nccs2)CC1 ZINC000094749136 193395555 /nfs/dbraw/zinc/39/55/55/193395555.db2.gz JZBQUOSQVJBZMY-OLZOCXBDSA-N 1 0 308.451 1.699 10 0 DDAERO C[NH+](C)C[C@@H]1C[C@H](O)CN1C(=O)c1c(F)cc(F)cc1F ZINC000097252001 193699196 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ZINC000039941402 183023241 /nfs/dbraw/zinc/02/32/41/183023241.db2.gz XKMCVXRAIRBCQS-KGLIPLIRSA-N 1 0 306.362 1.536 10 0 DDAERO C[C@@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)[C@H]1CCCO1 ZINC000333596409 249035786 /nfs/dbraw/zinc/03/57/86/249035786.db2.gz BNSRZFHBSFOORS-SLBVQIDZSA-N 1 0 303.406 1.690 10 0 DDAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)Nc2ccnn2C[C@H]2CCOC2)C1 ZINC000333508592 249006000 /nfs/dbraw/zinc/00/60/00/249006000.db2.gz XHNIRJYHPRTUTO-MCIONIFRSA-N 1 0 321.425 1.524 10 0 DDAERO C[N@@H+]1CCC[C@H](Nc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000040673399 183116651 /nfs/dbraw/zinc/11/66/51/183116651.db2.gz CDQFRQDJZZSFPB-AWEZNQCLSA-N 1 0 309.435 1.633 10 0 DDAERO CC1(C)CC(NS(=O)(=O)c2ccc(N)cn2)CC(C)(C)[NH2+]1 ZINC000040680499 183116980 /nfs/dbraw/zinc/11/69/80/183116980.db2.gz JAUBNPMVOWCVQL-UHFFFAOYSA-N 1 0 312.439 1.251 10 0 DDAERO NNc1[nH+]cnc(Nc2ccc(OC(F)(F)F)cc2)c1N ZINC000040783888 183133974 /nfs/dbraw/zinc/13/39/74/183133974.db2.gz PBQKOVKIQBSVGU-UHFFFAOYSA-N 1 0 300.244 1.987 10 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DNPVUHXKQHXRCP-LLVKDONJSA-N 1 0 314.227 1.822 10 0 DDAERO CCN(CC(=O)NC)c1cc(Br)ccc1C[NH2+]C ZINC000042516500 183279496 /nfs/dbraw/zinc/27/94/96/183279496.db2.gz MDSDADVHYJASAF-UHFFFAOYSA-N 1 0 314.227 1.741 10 0 DDAERO CN(Cc1ccc(F)cc1)C1(C[NH3+])CCS(=O)(=O)CC1 ZINC000042332405 183255253 /nfs/dbraw/zinc/25/52/53/183255253.db2.gz PENYXBSORUGWFH-UHFFFAOYSA-N 1 0 300.399 1.164 10 0 DDAERO COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000042707824 183300706 /nfs/dbraw/zinc/30/07/06/183300706.db2.gz XWLMMRNCQMJXBP-WDEREUQCSA-N 1 0 314.407 1.136 10 0 DDAERO COc1cccc([C@@H](Sc2nc(N)cc(=O)[nH]2)[C@@H](C)[NH3+])c1 ZINC000043033092 183331278 /nfs/dbraw/zinc/33/12/78/183331278.db2.gz CCAVDFUAJCXYCO-OQPBUACISA-N 1 0 306.391 1.541 10 0 DDAERO CCN([C@@H](C)COC)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000042768464 183306960 /nfs/dbraw/zinc/30/69/60/183306960.db2.gz HACJZRHIAOFTIW-LBPRGKRZSA-N 1 0 300.424 1.332 10 0 DDAERO CC[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCS(=O)(=O)CC1 ZINC000043252827 183347964 /nfs/dbraw/zinc/34/79/64/183347964.db2.gz ZAJGHZCRAGVAKP-BXKDBHETSA-N 1 0 322.883 1.910 10 0 DDAERO COC[C@@H](O)CN(C)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000043287412 183351168 /nfs/dbraw/zinc/35/11/68/183351168.db2.gz NPWKSKJGFSNQNB-UWVGGRQHSA-N 1 0 323.256 1.450 10 0 DDAERO C[NH+](C)C(C)(C)CNS(=O)(=O)c1c(F)cc(N)cc1F ZINC000043411144 183360281 /nfs/dbraw/zinc/36/02/81/183360281.db2.gz CVJRSQWABHPHNY-UHFFFAOYSA-N 1 0 307.366 1.166 10 0 DDAERO [NH3+]Cc1ccc(CS(=O)(=O)N2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000043426887 183361394 /nfs/dbraw/zinc/36/13/94/183361394.db2.gz SWDORUANYBMFKN-GJZGRUSLSA-N 1 0 310.419 1.228 10 0 DDAERO CCCCOCCNS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000045110201 183482854 /nfs/dbraw/zinc/48/28/54/183482854.db2.gz DCQDUHZTFLQILX-LBPRGKRZSA-N 1 0 300.424 1.801 10 0 DDAERO C[C@](O)(C[NH+]1CCC(N2CCCC2=O)CC1)c1ccccc1 ZINC000104730952 194031431 /nfs/dbraw/zinc/03/14/31/194031431.db2.gz QEWVQGMWTYKZFT-SFHVURJKSA-N 1 0 302.418 1.981 10 0 DDAERO COc1cccc(CCC(=O)N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)c1 ZINC000284689255 218134337 /nfs/dbraw/zinc/13/43/37/218134337.db2.gz PTZPARLXAUBMIB-RDJZCZTQSA-N 1 0 320.433 1.805 10 0 DDAERO CC(C)n1cc([C@@]2(O)CCC[N@H+](CCc3ccccn3)C2)nn1 ZINC000284742220 218157987 /nfs/dbraw/zinc/15/79/87/218157987.db2.gz WTLLIEHISZONKJ-QGZVFWFLSA-N 1 0 315.421 1.780 10 0 DDAERO COc1ccc(NC(=O)[C@@H](C)[NH2+]CCn2cc(C)cn2)cc1 ZINC000105881411 194155681 /nfs/dbraw/zinc/15/56/81/194155681.db2.gz ZXWUYHMMELNULI-CYBMUJFWSA-N 1 0 302.378 1.817 10 0 DDAERO Cc1ccc(C)c(OC[C@@H](O)CN2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000105904667 194167407 /nfs/dbraw/zinc/16/74/07/194167407.db2.gz OJOGPVKZVNRQCA-DLBZAZTESA-N 1 0 322.449 1.306 10 0 DDAERO CC[C@H]1CN(CC(=O)N(C)Cc2ccco2)CC[N@@H+]1CCOC ZINC000105914602 194168231 /nfs/dbraw/zinc/16/82/31/194168231.db2.gz UERSYIHEFUHJMA-HNNXBMFYSA-N 1 0 323.437 1.281 10 0 DDAERO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccnc(NC)c1 ZINC000050673283 183798187 /nfs/dbraw/zinc/79/81/87/183798187.db2.gz QXJDIHDCDYCRBP-LLVKDONJSA-N 1 0 300.428 1.132 10 0 DDAERO CCCCOC(=O)CN1CC[NH+](C(C)(C)C(N)=S)CC1 ZINC000109470725 194267369 /nfs/dbraw/zinc/26/73/69/194267369.db2.gz JHJOKEQROUHGJH-UHFFFAOYSA-N 1 0 301.456 1.012 10 0 DDAERO CC[C@H]([NH3+])c1cccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)c1 ZINC000052010868 183847377 /nfs/dbraw/zinc/84/73/77/183847377.db2.gz YWTNLAPTMGYMND-KKUMJFAQSA-N 1 0 312.435 1.678 10 0 DDAERO CC[N@@H+]1CCN(C(=O)Cc2ccc(C(N)=S)cc2)C[C@@H]1C ZINC000110753086 194356615 /nfs/dbraw/zinc/35/66/15/194356615.db2.gz HLRDUQMHYRJBQJ-LBPRGKRZSA-N 1 0 305.447 1.416 10 0 DDAERO COc1ccccc1[C@@H](SCCS(C)(=O)=O)[C@@H](C)[NH3+] ZINC000111004611 194380886 /nfs/dbraw/zinc/38/08/86/194380886.db2.gz IPXPERGXQDOOCZ-MFKMUULPSA-N 1 0 303.449 1.861 10 0 DDAERO COCC[NH2+]C[C@@H](Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 ZINC000054639491 183947288 /nfs/dbraw/zinc/94/72/88/183947288.db2.gz POHIDIKXLLTOHB-ZIAGYGMSSA-N 1 0 317.476 1.578 10 0 DDAERO CC[NH2+]Cc1nnnn1-c1cc(Br)ccc1F ZINC000054745099 183949543 /nfs/dbraw/zinc/94/95/43/183949543.db2.gz RVDXKWWIKUFKJB-UHFFFAOYSA-N 1 0 300.135 1.673 10 0 DDAERO CCCN[C@](C)(CCCC[N@H+](C)CCN(C)C)C(=O)OC ZINC000111145125 194395755 /nfs/dbraw/zinc/39/57/55/194395755.db2.gz PZIGZADMIYSUKS-MRXNPFEDSA-N 1 0 301.475 1.581 10 0 DDAERO COc1ccc(OCc2nc3c(c(NCC[NH3+])n2)CCC3)cc1 ZINC000057328630 184033365 /nfs/dbraw/zinc/03/33/65/184033365.db2.gz YITUUFVAJBDWQK-UHFFFAOYSA-N 1 0 314.389 1.924 10 0 DDAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000061270400 184167180 /nfs/dbraw/zinc/16/71/80/184167180.db2.gz UZZPXNOOTVXSQE-NSHDSACASA-N 1 0 313.423 1.264 10 0 DDAERO CC[NH2+][C@H](C)CC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000061273921 184167866 /nfs/dbraw/zinc/16/78/66/184167866.db2.gz ZFQGKLSALQAHOF-VXGBXAGGSA-N 1 0 312.435 1.655 10 0 DDAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C)c1ccc(OC)cc1 ZINC000061592629 184175596 /nfs/dbraw/zinc/17/55/96/184175596.db2.gz QBWDCCMHISBLNY-NWDGAFQWSA-N 1 0 308.407 1.688 10 0 DDAERO CC[C@@H](Oc1c(Br)cccc1CC[NH3+])C(N)=O ZINC000061678458 184181784 /nfs/dbraw/zinc/18/17/84/184181784.db2.gz IUTWAFOJTLTXEU-SNVBAGLBSA-N 1 0 301.184 1.593 10 0 DDAERO Nc1ccc2nc(NC(=O)CC[N@@H+]3CC[C@@H](O)C3)sc2c1 ZINC000061709566 184184877 /nfs/dbraw/zinc/18/48/77/184184877.db2.gz HBPKAVICIPWKKA-SNVBAGLBSA-N 1 0 306.391 1.274 10 0 DDAERO CCc1nc(N2CCN(CC(F)(F)F)CC2)sc1C[NH3+] ZINC000061948569 184197996 /nfs/dbraw/zinc/19/79/96/184197996.db2.gz SCPMQFNJCUVCOL-UHFFFAOYSA-N 1 0 308.373 1.849 10 0 DDAERO CC[NH2+]C[C@@H]1CC[C@@H](CN2CCN(CC(F)(F)F)CC2)O1 ZINC000061948317 184198052 /nfs/dbraw/zinc/19/80/52/184198052.db2.gz BYIKAMCXGZVXAT-STQMWFEESA-N 1 0 309.376 1.323 10 0 DDAERO CCC[NH2+][C@@H](CCC)[C@H](CC)N1CCN(S(C)(=O)=O)CC1 ZINC000062084011 184204806 /nfs/dbraw/zinc/20/48/06/184204806.db2.gz MXHJVRAGLIWMGL-GJZGRUSLSA-N 1 0 319.515 1.511 10 0 DDAERO COCCC[NH+]1[C@H](C)CN(C(=O)NC2CCOCC2)C[C@H]1C ZINC000062221228 184223706 /nfs/dbraw/zinc/22/37/06/184223706.db2.gz IPMYMKUVHXRFPE-ZIAGYGMSSA-N 1 0 313.442 1.306 10 0 DDAERO CC(C)C[NH2+]Cc1ccc(OCC(=O)NC(N)=O)c(Cl)c1 ZINC000062730341 184251383 /nfs/dbraw/zinc/25/13/83/184251383.db2.gz ZAAIYDDSEHULTP-UHFFFAOYSA-N 1 0 313.785 1.659 10 0 DDAERO CN(Cc1ccccc1Cl)[C@]1(C[NH3+])CCS(=O)(=O)C1 ZINC000062962538 184262406 /nfs/dbraw/zinc/26/24/06/184262406.db2.gz VXBIDQIYRJYTJE-ZDUSSCGKSA-N 1 0 302.827 1.288 10 0 DDAERO CCOC(=O)[C@@H]1CSCCN1C(=O)[C@@]1(CC)CCC[NH2+]C1 ZINC000062856614 184256976 /nfs/dbraw/zinc/25/69/76/184256976.db2.gz SIXUXOPIEWPQBF-WFASDCNBSA-N 1 0 314.451 1.273 10 0 DDAERO C[C@@]1(C(=O)Nc2cc(S(C)(=O)=O)ccc2F)CC[NH2+]C1 ZINC000062892888 184258550 /nfs/dbraw/zinc/25/85/50/184258550.db2.gz GROYYUXMJTWIDB-CYBMUJFWSA-N 1 0 300.355 1.167 10 0 DDAERO C[C@@]1(C(=O)N[C@H]2CCC[C@H](OCC(F)(F)F)C2)CC[NH2+]C1 ZINC000062891719 184258630 /nfs/dbraw/zinc/25/86/30/184258630.db2.gz KANCRJGMWPTGGF-GMXVVIOVSA-N 1 0 308.344 1.992 10 0 DDAERO CS(=O)(=O)CCC[NH2+]Cc1ccc(O)c(Br)c1 ZINC000062702742 184248127 /nfs/dbraw/zinc/24/81/27/184248127.db2.gz YLBKRUJCQAZDEF-UHFFFAOYSA-N 1 0 322.224 1.679 10 0 DDAERO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)N(C)Cc1ccccc1 ZINC000063194048 184277647 /nfs/dbraw/zinc/27/76/47/184277647.db2.gz TVBHQJMOTLPFAB-ZFWWWQNUSA-N 1 0 311.451 1.565 10 0 DDAERO NC(=[NH2+])c1ccc(N2CC[C@H](N3CCOCC3)C2)cc1Cl ZINC000062980615 184264575 /nfs/dbraw/zinc/26/45/75/184264575.db2.gz LDWBFAXCLLMIDP-LBPRGKRZSA-N 1 0 308.813 1.535 10 0 DDAERO CS(=O)(=O)c1ccc(SCC[NH2+]C[C@H]2CCOC2)cc1 ZINC000063132067 184272909 /nfs/dbraw/zinc/27/29/09/184272909.db2.gz ILYDHMDRWWRHJF-GFCCVEGCSA-N 1 0 315.460 1.808 10 0 DDAERO CCCn1cc(S(=O)(=O)N2CCCC[C@@H]2C[NH2+]C)nc1C ZINC000063168061 184275694 /nfs/dbraw/zinc/27/56/94/184275694.db2.gz NJDHXWUXVVVIHN-CYBMUJFWSA-N 1 0 314.455 1.364 10 0 DDAERO [NH3+][C@H]1CCC[C@H]1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000063176149 184276752 /nfs/dbraw/zinc/27/67/52/184276752.db2.gz SBNGGFGRFOAOQA-WDEREUQCSA-N 1 0 308.325 1.864 10 0 DDAERO CC[C@H](O)C[NH+]1CCN([C@H](C)C(=O)NCc2ccccc2)CC1 ZINC000118857334 194936846 /nfs/dbraw/zinc/93/68/46/194936846.db2.gz HEPRPHQXPJPOFJ-WBVHZDCISA-N 1 0 319.449 1.080 10 0 DDAERO C[C@@H]1CCCN(S(=O)(=O)c2c(F)cc(F)cc2F)[C@H]1C[NH3+] ZINC000246610748 296397317 /nfs/dbraw/zinc/39/73/17/296397317.db2.gz RTOKZZLUFPBZOS-PELKAZGASA-N 1 0 322.352 1.852 10 0 DDAERO CC[NH+](CC)CCNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000154971346 197009306 /nfs/dbraw/zinc/00/93/06/197009306.db2.gz DMXYMBSHDQEENY-UHFFFAOYSA-N 1 0 307.442 1.651 10 0 DDAERO CN(C)C(=O)[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2CCc2ccccc2)O1 ZINC000247950701 257113841 /nfs/dbraw/zinc/11/38/41/257113841.db2.gz BYQAIABASXGVFQ-ULQDDVLXSA-N 1 0 302.418 1.939 10 0 DDAERO COCC[N@@H+]1CCO[C@H]2CN(Cc3cccc(OC)c3)C[C@H]2C1 ZINC000247900980 257115383 /nfs/dbraw/zinc/11/53/83/257115383.db2.gz QNGVPFVAXNHWKB-AEFFLSMTSA-N 1 0 320.433 1.474 10 0 DDAERO O=C([C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2cccs2)O1)N1CCOCC1 ZINC000247805365 257118569 /nfs/dbraw/zinc/11/85/69/257118569.db2.gz YZGIVGPUEANOFS-KFWWJZLASA-N 1 0 322.430 1.339 10 0 DDAERO CC(C)[N@H+](C)[C@@H]1CN(c2ncc(F)cn2)C[C@H]2CCCO[C@H]21 ZINC000503716181 257209997 /nfs/dbraw/zinc/20/99/97/257209997.db2.gz DSCUMUKVCULUBS-BPLDGKMQSA-N 1 0 308.401 1.940 10 0 DDAERO COc1nc(N2CCC[C@H](CC[NH3+])C2)ncc1Br ZINC000235022490 134799151 /nfs/dbraw/zinc/79/91/51/134799151.db2.gz AWAPLXHQGSLAKY-SECBINFHSA-N 1 0 315.215 1.813 10 0 DDAERO NS(=O)(=O)c1ccc(N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000063190806 134813121 /nfs/dbraw/zinc/81/31/21/134813121.db2.gz OXTCZTSFPJTGTI-LSDHHAIUSA-N 1 0 309.435 1.445 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)CN2CCCC2=O)C12CCOCC2 ZINC000248975840 286291586 /nfs/dbraw/zinc/29/15/86/286291586.db2.gz HPMYXGBXEDJEBP-RBSFLKMASA-N 1 0 310.438 1.561 10 0 DDAERO CCn1c2ccccc2cc(C[NH2+]CCN2CCOCC2)c1=O ZINC000039287559 407001843 /nfs/dbraw/zinc/00/18/43/407001843.db2.gz OYFPUTWLIBNKOL-UHFFFAOYSA-N 1 0 315.417 1.443 10 0 DDAERO CCN1C[C@@H](C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)CC1=O ZINC000046170475 407056413 /nfs/dbraw/zinc/05/64/13/407056413.db2.gz WGUVIGKNUQFCAZ-GJZGRUSLSA-N 1 0 303.406 1.274 10 0 DDAERO Cc1sc(=O)n(CC(=O)N[C@H](CC(C)C)C[NH+](C)C)c1C ZINC000098035856 407304369 /nfs/dbraw/zinc/30/43/69/407304369.db2.gz URXXLBHKKPGMEL-CYBMUJFWSA-N 1 0 313.467 1.619 10 0 DDAERO CC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c1 ZINC000124029367 407346247 /nfs/dbraw/zinc/34/62/47/407346247.db2.gz WHTUPFRBFZFSEK-ABAIWWIYSA-N 1 0 310.419 1.460 10 0 DDAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000104190082 407348887 /nfs/dbraw/zinc/34/88/87/407348887.db2.gz ZMPSZWQIYBDQHS-STQMWFEESA-N 1 0 304.394 1.265 10 0 DDAERO COc1ccc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)c(C)n1 ZINC000124205701 407351380 /nfs/dbraw/zinc/35/13/80/407351380.db2.gz TUBJQBFBTDNFIH-ZDUSSCGKSA-N 1 0 322.409 1.367 10 0 DDAERO CC(C)N1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000106904946 407365643 /nfs/dbraw/zinc/36/56/43/407365643.db2.gz DADQLNNKKUKYNX-KRWDZBQOSA-N 1 0 303.450 1.712 10 0 DDAERO CCc1nccn1[C@@H]1CCC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC000105897940 407357291 /nfs/dbraw/zinc/35/72/91/407357291.db2.gz HNNIRPALMNWZPW-OAHLLOKOSA-N 1 0 320.437 1.378 10 0 DDAERO CC[C@@H](OC1CCCCC1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000124966857 407375437 /nfs/dbraw/zinc/37/54/37/407375437.db2.gz GBYMBCQUMREPBD-HZPDHXFCSA-N 1 0 312.454 1.903 10 0 DDAERO COC[C@@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000125208086 407381706 /nfs/dbraw/zinc/38/17/06/407381706.db2.gz KKBWYMFQCFBNMU-RHSMWYFYSA-N 1 0 320.433 1.542 10 0 DDAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H]2CC=CCC2)CC1 ZINC000181794529 306700327 /nfs/dbraw/zinc/70/03/27/306700327.db2.gz GEGDPURDMUZFTI-GOEBONIOSA-N 1 0 309.454 1.829 10 0 DDAERO C[C@@](O)(CN1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000178490745 407470571 /nfs/dbraw/zinc/47/05/71/407470571.db2.gz JVNBRQGSQKNGLZ-FUHWJXTLSA-N 1 0 304.434 1.548 10 0 DDAERO C[NH+](C)CC1(CNC(=O)N[C@H]2CCCn3ncnc32)CCCC1 ZINC000185784831 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COc1cc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)ccn1 ZINC000113586952 407515583 /nfs/dbraw/zinc/51/55/83/407515583.db2.gz ZQHIWDITCQYIJO-GXTWGEPZSA-N 1 0 304.394 1.468 10 0 DDAERO COc1cccc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1 ZINC000113608367 407518824 /nfs/dbraw/zinc/51/88/24/407518824.db2.gz NONCABODNNYGCJ-GXTWGEPZSA-N 1 0 304.394 1.468 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)NC2CCN(CC(F)(F)F)CC2)C1 ZINC000170834907 407524937 /nfs/dbraw/zinc/52/49/37/407524937.db2.gz AJBCHXXUSSELIO-GFCCVEGCSA-N 1 0 322.375 1.359 10 0 DDAERO CCCCC(=O)N1CSC[C@H]1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170868667 407538775 /nfs/dbraw/zinc/53/87/75/407538775.db2.gz RVYRHBOCTLTBPM-STQMWFEESA-N 1 0 313.467 1.241 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccc(C(C)(C)O)cc2)C1 ZINC000185942768 407548326 /nfs/dbraw/zinc/54/83/26/407548326.db2.gz GBKYEZJIEVWCSJ-OAHLLOKOSA-N 1 0 305.422 1.760 10 0 DDAERO CCOc1ccccc1N1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000261826137 407629754 /nfs/dbraw/zinc/62/97/54/407629754.db2.gz 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407722660 /nfs/dbraw/zinc/72/26/60/407722660.db2.gz LMYNZWZKKNHFNJ-AWEZNQCLSA-N 1 0 302.378 1.710 10 0 DDAERO Cn1cc([C@@H]2CC[N@H+](C[C@H](O)COc3ccccc3)C2)cn1 ZINC000116321155 407743422 /nfs/dbraw/zinc/74/34/22/407743422.db2.gz LKYAFBFPWUQBPB-ZBFHGGJFSA-N 1 0 301.390 1.649 10 0 DDAERO OC[C@H]1C[C@H](O)C[N@@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000179170438 407745011 /nfs/dbraw/zinc/74/50/11/407745011.db2.gz MXEUXRPCEMRKOK-KGLIPLIRSA-N 1 0 303.362 1.097 10 0 DDAERO COC[C@H]([NH3+])C(=O)NCc1ccc(OCc2ccccn2)cc1 ZINC000262189596 407763410 /nfs/dbraw/zinc/76/34/10/407763410.db2.gz CDOPSPKYCQZODO-INIZCTEOSA-N 1 0 315.373 1.251 10 0 DDAERO COC[C@H]([NH3+])C(=O)NCc1cccnc1Oc1cccc(F)c1 ZINC000262214409 407767400 /nfs/dbraw/zinc/76/74/00/407767400.db2.gz FDXFDQDPXJRHLI-AWEZNQCLSA-N 1 0 319.336 1.603 10 0 DDAERO [NH3+]CC1(C(=O)Nc2cnn(CC(F)(F)F)c2)CCOCC1 ZINC000262280189 407781354 /nfs/dbraw/zinc/78/13/54/407781354.db2.gz NTSKKYYRFNBFST-UHFFFAOYSA-N 1 0 306.288 1.139 10 0 DDAERO Cc1[nH]c(=S)sc1CC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116797481 407778976 /nfs/dbraw/zinc/77/89/76/407778976.db2.gz VECCORUSFBYQPY-SNVBAGLBSA-N 1 0 315.464 1.446 10 0 DDAERO CCN(Cc1cccc(Br)c1)C(=O)[C@H]([NH3+])COC ZINC000262307003 407791811 /nfs/dbraw/zinc/79/18/11/407791811.db2.gz OOAAQDVWNWKOPU-GFCCVEGCSA-N 1 0 315.211 1.771 10 0 DDAERO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2)CCO1 ZINC000116900383 407795531 /nfs/dbraw/zinc/79/55/31/407795531.db2.gz VYBROUWTWLYSDQ-LBPRGKRZSA-N 1 0 318.826 1.291 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)N[C@H]2CCc3cc(F)ccc32)CCO1 ZINC000117038663 407805491 /nfs/dbraw/zinc/80/54/91/407805491.db2.gz ZCJCTEWMDGOCPS-HOCLYGCPSA-N 1 0 321.396 1.785 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000262364037 407811366 /nfs/dbraw/zinc/81/13/66/407811366.db2.gz VWSSRJAIAWAYCK-SWLSCSKDSA-N 1 0 309.385 1.005 10 0 DDAERO CC[N@H+](CCO)CCNC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000187091010 407818846 /nfs/dbraw/zinc/81/88/46/407818846.db2.gz FXQKQPFASHPYBJ-UHFFFAOYSA-N 1 0 309.454 1.425 10 0 DDAERO CCCNS(=O)(=O)c1ccc(NC(=O)[C@H]([NH3+])CCC)cc1 ZINC000153595465 407856833 /nfs/dbraw/zinc/85/68/33/407856833.db2.gz QUYHHLFSFAXOBF-CYBMUJFWSA-N 1 0 313.423 1.441 10 0 DDAERO CCN(CC)C(=O)[C@H](C)N1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000262565233 407868662 /nfs/dbraw/zinc/86/86/62/407868662.db2.gz ZYYSDNVHLOVMGX-UONOGXRCSA-N 1 0 313.442 1.114 10 0 DDAERO CC(C)n1cnc(S(=O)(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000153651871 407870723 /nfs/dbraw/zinc/87/07/23/407870723.db2.gz MKWBZDDWMUPUDC-STQMWFEESA-N 1 0 314.455 1.471 10 0 DDAERO Cc1cnn(CCNC(=O)NCC[N@@H+](C)Cc2ccccc2)c1 ZINC000118064953 407880353 /nfs/dbraw/zinc/88/03/53/407880353.db2.gz XDOSENICMKWQDT-UHFFFAOYSA-N 1 0 315.421 1.623 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC(=O)N1CCCCC1 ZINC000173867613 407902078 /nfs/dbraw/zinc/90/20/78/407902078.db2.gz OSCBNNAESNXMHY-HUUCEWRRSA-N 1 0 322.453 1.267 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCN1C(=O)NC(C)(C)C1=O 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DDAERO COc1ccccc1NCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174355146 407937429 /nfs/dbraw/zinc/93/74/29/407937429.db2.gz COCKZZPQBZALME-ZIAGYGMSSA-N 1 0 321.421 1.021 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(C(=O)NC)c1 ZINC000175004870 408025718 /nfs/dbraw/zinc/02/57/18/408025718.db2.gz HUFFJXKWHMHQOZ-JKSUJKDBSA-N 1 0 315.417 1.745 10 0 DDAERO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CC(F)(F)CN1 ZINC000263108980 408027155 /nfs/dbraw/zinc/02/71/55/408027155.db2.gz ACZMTSTVDZSKGI-CYBMUJFWSA-N 1 0 301.381 1.507 10 0 DDAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCN(C(C)C)C1=O)CC2 ZINC000175010910 408029759 /nfs/dbraw/zinc/02/97/59/408029759.db2.gz KYRKNHPUVHZLFD-KBPBESRZSA-N 1 0 319.453 1.705 10 0 DDAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCN(C(C)C)C1=O)CC2 ZINC000175010873 408030200 /nfs/dbraw/zinc/03/02/00/408030200.db2.gz KYRKNHPUVHZLFD-UONOGXRCSA-N 1 0 319.453 1.705 10 0 DDAERO CN1CC[NH2+]C[C@@H]1c1noc(Cc2csc(C(C)(C)C)n2)n1 ZINC000263185057 408050302 /nfs/dbraw/zinc/05/03/02/408050302.db2.gz HGDVGMHEYSCCFH-LLVKDONJSA-N 1 0 321.450 1.991 10 0 DDAERO COc1c(C[NH2+][C@@H](CO)Cc2ccccc2C)c(C)nn1C ZINC000188916921 407988587 /nfs/dbraw/zinc/98/85/87/407988587.db2.gz ZSPKGNLQGJUWCH-OAHLLOKOSA-N 1 0 303.406 1.739 10 0 DDAERO CCC[C@H](C(=O)N1CCN(CC(F)(F)F)[C@H](C)C1)[NH+](C)C ZINC000135212383 407991138 /nfs/dbraw/zinc/99/11/38/407991138.db2.gz ZUPUZQOQOFZZNL-VXGBXAGGSA-N 1 0 309.376 1.812 10 0 DDAERO CC[C@@H]1CN(Cc2nc([C@@H](C)OC)no2)CC[N@@H+]1C[C@H](C)O ZINC000245473451 407997519 /nfs/dbraw/zinc/99/75/19/407997519.db2.gz PZVUARVWPLVTQB-YNEHKIRRSA-N 1 0 312.414 1.054 10 0 DDAERO CCc1ncc(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cn1 ZINC000119165699 408006206 /nfs/dbraw/zinc/00/62/06/408006206.db2.gz LYSXVDTZQOQPDB-CYBMUJFWSA-N 1 0 307.398 1.007 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC000174968339 408016180 /nfs/dbraw/zinc/01/61/80/408016180.db2.gz FCRWNBVFNHBGNE-BZUAXINKSA-N 1 0 307.438 1.330 10 0 DDAERO 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DDAERO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CNC(=O)C1 ZINC000249832651 408766585 /nfs/dbraw/zinc/76/65/85/408766585.db2.gz POBFTVOSIIIKOW-HOTGVXAUSA-N 1 0 315.417 1.293 10 0 DDAERO CCOc1ncccc1NC(=O)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000194156095 408768832 /nfs/dbraw/zinc/76/88/32/408768832.db2.gz PDQKSPUCUOIUTE-LBPRGKRZSA-N 1 0 320.393 1.019 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(COC)c2)C1 ZINC000194156760 408768952 /nfs/dbraw/zinc/76/89/52/408768952.db2.gz FRFMEXWUOXQXCK-HNNXBMFYSA-N 1 0 319.405 1.372 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCCOCC(F)(F)F)C1 ZINC000194146429 408769313 /nfs/dbraw/zinc/76/93/13/408769313.db2.gz WHCHHFFIIQGSLL-NSHDSACASA-N 1 0 311.348 1.739 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)N(CCOC)Cc2ccco2)C1 ZINC000194177386 408770283 /nfs/dbraw/zinc/77/02/83/408770283.db2.gz RATBQESWCLUQBR-AWEZNQCLSA-N 1 0 309.410 1.922 10 0 DDAERO CN(C)C(=O)Sc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)cc1 ZINC000185180408 408774800 /nfs/dbraw/zinc/77/48/00/408774800.db2.gz 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163412473 /nfs/dbraw/zinc/41/24/73/163412473.db2.gz XFNDPUZBVYTBHE-GOEBONIOSA-N 1 0 321.465 1.720 10 0 DDAERO C[NH2+][C@H](C)CNC(=O)c1csc(I)c1 ZINC000261527447 163665298 /nfs/dbraw/zinc/66/52/98/163665298.db2.gz BHGBJGYJMCTKRY-ZCFIWIBFSA-N 1 0 324.187 1.690 10 0 DDAERO CC(C)(C)c1cc(NC(=O)CN2CC[C@H]([NH3+])C(C)(C)C2)on1 ZINC000262490823 163837322 /nfs/dbraw/zinc/83/73/22/163837322.db2.gz KZRITAQWBWFVQY-NSHDSACASA-N 1 0 308.426 1.970 10 0 DDAERO COC[C@H](C)C[NH+]1CCN(c2nc(C)nc3c2cnn3C)CC1 ZINC000187234037 306718906 /nfs/dbraw/zinc/71/89/06/306718906.db2.gz RYLVBTLBNOKKKE-GFCCVEGCSA-N 1 0 318.425 1.076 10 0 DDAERO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Cn1cc(C[NH3+])nn1 ZINC000303431607 409548540 /nfs/dbraw/zinc/54/85/40/409548540.db2.gz ZEVKIHQGKVUMSP-CYBMUJFWSA-N 1 0 313.405 1.564 10 0 DDAERO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1C[C@@H](F)C[C@H]1CO ZINC000347399673 410522461 /nfs/dbraw/zinc/52/24/61/410522461.db2.gz PSVNIPDQIMVHHT-HOTGVXAUSA-N 1 0 306.381 1.827 10 0 DDAERO COC(=O)c1ccc(CNc2cc(-n3cccn3)nc(N)[nH+]2)o1 ZINC000302735299 410854917 /nfs/dbraw/zinc/85/49/17/410854917.db2.gz WGOSFCROZNZQKR-UHFFFAOYSA-N 1 0 314.305 1.236 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CCc3c2cccc3Cl)C1 ZINC000129366002 196042479 /nfs/dbraw/zinc/04/24/79/196042479.db2.gz JETVMCRHRMQYLY-LLVKDONJSA-N 1 0 321.808 1.392 10 0 DDAERO [NH3+]C1CCC(NC(=O)CCCc2ccc3c(c2)CC(=O)N3)CC1 ZINC000131831875 196202590 /nfs/dbraw/zinc/20/25/90/196202590.db2.gz AOSHYHVWJPKRFW-UHFFFAOYSA-N 1 0 315.417 1.890 10 0 DDAERO Cc1cc(NC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)n(C)n1 ZINC000132436251 196256024 /nfs/dbraw/zinc/25/60/24/196256024.db2.gz YDJSKYLFEXEBAB-CYBMUJFWSA-N 1 0 321.425 1.446 10 0 DDAERO CCc1nn(C)c(Cl)c1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000132893518 196294479 /nfs/dbraw/zinc/29/44/79/196294479.db2.gz YEGYWYGZOVMSEP-WDEREUQCSA-N 1 0 310.829 1.945 10 0 DDAERO C[NH2+][C@@H]1CCCN(C(=O)c2cccc(N3CCNC3=O)c2C)C1 ZINC000132939926 196297730 /nfs/dbraw/zinc/29/77/30/196297730.db2.gz DNKODMCSMZWSOK-CYBMUJFWSA-N 1 0 316.405 1.349 10 0 DDAERO COc1ccc(C[C@@H](C)C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000135017616 196438789 /nfs/dbraw/zinc/43/87/89/196438789.db2.gz YWTSOTFCTOXXQF-RHSMWYFYSA-N 1 0 320.433 1.663 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)CCO1 ZINC000117049163 418502215 /nfs/dbraw/zinc/50/22/15/418502215.db2.gz XUHAXEMDZLMMGE-BRWVUGGUSA-N 1 0 317.433 1.762 10 0 DDAERO C[C@H]([NH3+])CCC(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000193323778 418530611 /nfs/dbraw/zinc/53/06/11/418530611.db2.gz MUGICBGFWVJSHJ-AWEZNQCLSA-N 1 0 321.469 1.410 10 0 DDAERO C[NH+](C)C[C@H](NC(=O)c1ccc(C(N)=O)s1)c1ccccc1 ZINC000195488155 418556615 /nfs/dbraw/zinc/55/66/15/418556615.db2.gz HAMGAESRUSFONR-LBPRGKRZSA-N 1 0 317.414 1.880 10 0 DDAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000195181614 222192730 /nfs/dbraw/zinc/19/27/30/222192730.db2.gz HJBIJBOJNFMWTD-UONOGXRCSA-N 1 0 301.427 1.828 10 0 DDAERO O=C(c1nscc1Br)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000404819217 418773249 /nfs/dbraw/zinc/77/32/49/418773249.db2.gz RJVHLJNPIIFODG-MRVPVSSYSA-N 1 0 316.224 1.826 10 0 DDAERO C[C@H]1C[C@H](C[NH3+])CN1c1ccc(I)cn1 ZINC000420221548 420156121 /nfs/dbraw/zinc/15/61/21/420156121.db2.gz UFQSFWKMQCOGOB-DTWKUNHWSA-N 1 0 317.174 1.860 10 0 DDAERO C[C@H]1CN(C(=O)COc2ccc(Br)cc2)C[C@H]1[NH3+] ZINC000423947584 420280021 /nfs/dbraw/zinc/28/00/21/420280021.db2.gz JFGRGRHIQXZPMC-JOYOIKCWSA-N 1 0 313.195 1.634 10 0 DDAERO Cc1nc(C)n(C[C@@H]2CCCN(c3cc[nH+]cc3C(N)=O)C2)n1 ZINC000302016207 230037009 /nfs/dbraw/zinc/03/70/09/230037009.db2.gz FQEVANKLQGORDH-CYBMUJFWSA-N 1 0 314.393 1.305 10 0 DDAERO CCN(Cc1ccccc1)C(=O)CN1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630362693 422049621 /nfs/dbraw/zinc/04/96/21/422049621.db2.gz PQTHJXRPTMBSGG-AEFFLSMTSA-N 1 0 319.449 1.473 10 0 DDAERO CN(C[C@H]1CCn2ccnc2C1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000637380479 422187109 /nfs/dbraw/zinc/18/71/09/422187109.db2.gz RPAIVAINMOOQPX-UONOGXRCSA-N 1 0 305.426 1.181 10 0 DDAERO Cc1cnn(CC[N@H+]2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)c1 ZINC000583617930 422203572 /nfs/dbraw/zinc/20/35/72/422203572.db2.gz KUAGVWBUEGGWGV-INIZCTEOSA-N 1 0 318.425 1.348 10 0 DDAERO C[N@H+](CC1CC1)C[C@H]1CN(C(=O)N[C@H]2C=CCCC2)CCO1 ZINC000583624110 422208122 /nfs/dbraw/zinc/20/81/22/422208122.db2.gz DICWWJBTPNLYOH-HOTGVXAUSA-N 1 0 307.438 1.847 10 0 DDAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1n[nH]cc1Br ZINC000648069223 423198936 /nfs/dbraw/zinc/19/89/36/423198936.db2.gz VHPPVGNYKAAZLF-HTQZYQBOSA-N 1 0 301.188 1.163 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CCn1cccn1 ZINC000124283403 263340605 /nfs/dbraw/zinc/34/06/05/263340605.db2.gz VGSZVMSZZWIMMV-OAHLLOKOSA-N 1 0 307.442 1.645 10 0 DDAERO CC[C@@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000185804975 263394741 /nfs/dbraw/zinc/39/47/41/263394741.db2.gz ZUVPXUDNJHVINY-IAGOWNOFSA-N 1 0 302.418 1.807 10 0 DDAERO COC[C@@H](CCO)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000219127678 263544071 /nfs/dbraw/zinc/54/40/71/263544071.db2.gz UCSAEWHKMGPMIW-ZIAGYGMSSA-N 1 0 316.442 1.621 10 0 DDAERO O[C@@H]1C[N@H+](CCCc2c(F)cccc2F)C[C@H]1n1ccnn1 ZINC000639743289 423701205 /nfs/dbraw/zinc/70/12/05/423701205.db2.gz ZGOMXLFVAPCPFM-HUUCEWRRSA-N 1 0 308.332 1.407 10 0 DDAERO CCn1ccnc1[C@@H]1OCC[C@H]1C[NH2+]Cc1c(C)nnn1CC ZINC000657651957 424460977 /nfs/dbraw/zinc/46/09/77/424460977.db2.gz WFCJRXWTUFOLEO-DZGCQCFKSA-N 1 0 318.425 1.690 10 0 DDAERO CCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)C1 ZINC000341630993 271146766 /nfs/dbraw/zinc/14/67/66/271146766.db2.gz HLOIWPRUOWKIMS-MGPQQGTHSA-N 1 0 310.442 1.169 10 0 DDAERO Cn1cc([C@H]2CCCN2C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000342039107 271280430 /nfs/dbraw/zinc/28/04/30/271280430.db2.gz HVYONAWIDIBTHL-RBSFLKMASA-N 1 0 305.426 1.749 10 0 DDAERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc2nnc(C(F)(F)F)n2n1 ZINC000235619176 274630848 /nfs/dbraw/zinc/63/08/48/274630848.db2.gz FNGJCAORUIUPPS-SFYZADRCSA-N 1 0 300.288 1.696 10 0 DDAERO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)N1CCc2ccccc2C1 ZINC000227164120 274949613 /nfs/dbraw/zinc/94/96/13/274949613.db2.gz MNDAFBCIFVLORF-DZGCQCFKSA-N 1 0 309.435 1.007 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000153915552 276370206 /nfs/dbraw/zinc/37/02/06/276370206.db2.gz BTAVQOHLMRXBFM-ZIAGYGMSSA-N 1 0 305.426 1.393 10 0 DDAERO COc1cc(C)cc(C)c1S(=O)(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000262739273 277373182 /nfs/dbraw/zinc/37/31/82/277373182.db2.gz BKOILUWLQCNDLU-QWHCGFSZSA-N 1 0 312.435 1.718 10 0 DDAERO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247237503 278205136 /nfs/dbraw/zinc/20/51/36/278205136.db2.gz XOXUQWWIXXIEBZ-ODZFXCKXSA-N 1 0 323.481 1.476 10 0 DDAERO [NH3+]Cc1ccc(C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000186471495 279658700 /nfs/dbraw/zinc/65/87/00/279658700.db2.gz RKGBVRUFQILSNM-ZBFHGGJFSA-N 1 0 306.431 1.930 10 0 DDAERO Cc1cc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])c2cnn(C)c2n1 ZINC000261920787 280333370 /nfs/dbraw/zinc/33/33/70/280333370.db2.gz YTPJVKTZGBUUIJ-PWSUYJOCSA-N 1 0 301.394 1.476 10 0 DDAERO Cc1cc(C)c(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000261663182 280396297 /nfs/dbraw/zinc/39/62/97/280396297.db2.gz ZKULLBKDZGWGPE-QJPTWQEYSA-N 1 0 300.449 1.723 10 0 DDAERO CCOc1ccccc1NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000105933209 281051624 /nfs/dbraw/zinc/05/16/24/281051624.db2.gz NVFUNWBKPCWOGC-UONOGXRCSA-N 1 0 321.421 1.333 10 0 DDAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1CC[C@@H]1CCOC1=O ZINC000120769809 281124913 /nfs/dbraw/zinc/12/49/13/281124913.db2.gz OFAPXQAJESDPNM-OLZOCXBDSA-N 1 0 312.410 1.929 10 0 DDAERO CC[C@H]1CN(Cc2nc(CCC(C)C)no2)CC[N@@H+]1C[C@H](C)O ZINC000247404244 281171629 /nfs/dbraw/zinc/17/16/29/281171629.db2.gz YVCOTOGEDKLOEG-GJZGRUSLSA-N 1 0 324.469 1.935 10 0 DDAERO C[NH+](C)CC(=O)N1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248620055 282058238 /nfs/dbraw/zinc/05/82/38/282058238.db2.gz MUPGBKKASSMMAA-YNEHKIRRSA-N 1 0 311.426 1.310 10 0 DDAERO COCc1cccc(CC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000189640953 293309742 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CC(C)COCCC[NH2+]Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000088539976 185255736 /nfs/dbraw/zinc/25/57/36/185255736.db2.gz PKHLUZPHUOBNAO-UHFFFAOYSA-N 1 0 318.439 1.682 10 0 DDAERO COCCCCNS(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000088542993 185256149 /nfs/dbraw/zinc/25/61/49/185256149.db2.gz ILFFEBWUZUIIDQ-UHFFFAOYSA-N 1 0 318.439 1.873 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCC(OC)CC2)o1 ZINC000088543762 185256564 /nfs/dbraw/zinc/25/65/64/185256564.db2.gz PADSMKYTKRRVJX-UHFFFAOYSA-N 1 0 302.396 1.189 10 0 DDAERO CCOC(=O)CS(=O)(=O)C[C@H]([NH2+]C)c1ccc(CC)cc1 ZINC000081978017 192348710 /nfs/dbraw/zinc/34/87/10/192348710.db2.gz XZWRCWUTVVEBIK-AWEZNQCLSA-N 1 0 313.419 1.487 10 0 DDAERO CCOC(=O)[C@H]1C[NH2+]CCN1c1ncc(Cl)cc1Cl ZINC000088673102 185262092 /nfs/dbraw/zinc/26/20/92/185262092.db2.gz CPQHSDCCQXXWGP-SNVBAGLBSA-N 1 0 304.177 1.730 10 0 DDAERO CCOC(=O)[C@H]1C[NH2+]CCN1c1ncccc1C(F)(F)F ZINC000088673278 185262257 /nfs/dbraw/zinc/26/22/57/185262257.db2.gz HEWHXGWKUHXAMY-SNVBAGLBSA-N 1 0 303.284 1.442 10 0 DDAERO O=S1(=O)CC[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)c2cc(F)ccc21 ZINC000224134819 539265986 /nfs/dbraw/zinc/26/59/86/539265986.db2.gz PZFODQOGVDIKOG-SCRDCRAPSA-N 1 0 313.394 1.937 10 0 DDAERO C[C@@H]1C[NH2+][C@H](Cc2ccccc2)CN1[C@H]1C=CS(=O)(=O)C1 ZINC000088860129 185267387 /nfs/dbraw/zinc/26/73/87/185267387.db2.gz JOUVEWOULYUWNN-BMFZPTHFSA-N 1 0 306.431 1.202 10 0 DDAERO Cc1ccccc1S(=O)(=O)N[C@H](C(N)=[NH2+])c1ccccc1 ZINC000088716936 185263101 /nfs/dbraw/zinc/26/31/01/185263101.db2.gz LCSTWLOJADIVSI-AWEZNQCLSA-N 1 0 303.387 1.951 10 0 DDAERO [NH3+][C@H]1CCC2(C[C@@H]1S(=O)(=O)C1CCCCC1)OCCO2 ZINC000081979338 192349588 /nfs/dbraw/zinc/34/95/88/192349588.db2.gz WYDYGICRUXYFIW-STQMWFEESA-N 1 0 303.424 1.357 10 0 DDAERO CCOCC[N@@H+]1CCN(CCO[C@H]2CCCCO2)C[C@H]1C ZINC000253355130 282215296 /nfs/dbraw/zinc/21/52/96/282215296.db2.gz LKFABCYBTZSWMC-CVEARBPZSA-N 1 0 300.443 1.572 10 0 DDAERO CCOc1ccc([C@H]([NH3+])CS(=O)(=O)C2CCOCC2)cc1 ZINC000081990393 192350544 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CC[NH+]1CCN(c2nc(Br)cn3ccnc23)CC1 ZINC000082060938 192353120 /nfs/dbraw/zinc/35/31/20/192353120.db2.gz VUUDRLBDKIHLCW-UHFFFAOYSA-N 1 0 310.199 1.634 10 0 DDAERO CCCCOCCOC[C@H](O)C[NH2+]C[C@@](C)(O)CC(C)C ZINC000090271832 185288651 /nfs/dbraw/zinc/28/86/51/185288651.db2.gz CSAYGMWDPHYENA-CVEARBPZSA-N 1 0 305.459 1.567 10 0 DDAERO CCCN(CC(=O)Nc1nc2ccccc2s1)C1C[NH2+]C1 ZINC000090293904 185289864 /nfs/dbraw/zinc/28/98/64/185289864.db2.gz NTSAXRZGJKIOAW-UHFFFAOYSA-N 1 0 304.419 1.919 10 0 DDAERO C[C@@H](c1nc2ccccc2s1)N1CCN(C2C[NH2+]C2)CC1 ZINC000090306644 185290180 /nfs/dbraw/zinc/29/01/80/185290180.db2.gz BRSBAXZNUVPMJS-LBPRGKRZSA-N 1 0 302.447 1.947 10 0 DDAERO O=S(=O)(c1ccc(F)cc1Cl)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090322194 185290872 /nfs/dbraw/zinc/29/08/72/185290872.db2.gz ZOODMEQOCOJBCK-RKDXNWHRSA-N 1 0 304.774 1.319 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1cc(F)ccc1C ZINC000090331494 185291219 /nfs/dbraw/zinc/29/12/19/185291219.db2.gz WONZRGBUMUTROC-MRVWCRGKSA-N 1 0 312.410 1.753 10 0 DDAERO CCNS(=O)(=O)c1ccccc1N1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C ZINC000090328523 185291318 /nfs/dbraw/zinc/29/13/18/185291318.db2.gz HFGIUSDWZFPAQV-RWMBFGLXSA-N 1 0 309.435 1.029 10 0 DDAERO CC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ncc(Br)s1 ZINC000090489623 185298863 /nfs/dbraw/zinc/29/88/63/185298863.db2.gz LIVAILZOKSDUPR-BQBZGAKWSA-N 1 0 320.212 1.469 10 0 DDAERO CCC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2COC[C@@H]2[NH3+])c1 ZINC000090379880 185293560 /nfs/dbraw/zinc/29/35/60/185293560.db2.gz SXYQNCDGTUGZBF-KOLCDFICSA-N 1 0 311.769 1.601 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1nc2ccc(OC)cc2s1 ZINC000090431684 185295763 /nfs/dbraw/zinc/29/57/63/185295763.db2.gz TUBNEUZQJMFGMP-MWLCHTKSSA-N 1 0 307.375 1.478 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cc(OC)c(OC)cc1Cl ZINC000090433318 185296391 /nfs/dbraw/zinc/29/63/91/185296391.db2.gz AGVDHDXJEMXYIH-LDYMZIIASA-N 1 0 314.769 1.530 10 0 DDAERO C[C@]1(CN2CCN(c3ccccc3Cl)CC2)COC[C@H]1[NH3+] ZINC000090606502 185306525 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Cc1cc(NC(=O)[C@@H]2CC[NH2+][C@@H]2C)ccc1NS(C)(=O)=O ZINC000092952739 185350338 /nfs/dbraw/zinc/35/03/38/185350338.db2.gz XDNXEDDBOORIHI-ZYHUDNBSSA-N 1 0 311.407 1.303 10 0 DDAERO CCC(=O)N1CC[C@H](C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000181432705 199295588 /nfs/dbraw/zinc/29/55/88/199295588.db2.gz FKNYTMFFWYLXGH-LBPRGKRZSA-N 1 0 305.378 1.221 10 0 DDAERO C[NH2+][C@H](C)CNS(=O)(=O)c1cccc(Br)c1 ZINC000261599011 282287461 /nfs/dbraw/zinc/28/74/61/282287461.db2.gz ZRNFHZJCKDMZCQ-MRVPVSSYSA-N 1 0 307.213 1.335 10 0 DDAERO C[C@@H]([NH3+])Cc1cc2ccccc2nc1Sc1nnnn1C ZINC000111579820 185614218 /nfs/dbraw/zinc/61/42/18/185614218.db2.gz XZJLQJZWIGDIQC-SECBINFHSA-N 1 0 300.391 1.799 10 0 DDAERO CC[NH2+][C@@H](C)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 ZINC000111713636 185628961 /nfs/dbraw/zinc/62/89/61/185628961.db2.gz MMWMWTOOGQMPSN-GXFFZTMASA-N 1 0 314.455 1.425 10 0 DDAERO O=S(=O)(Cc1ccccc1)N1CCC[C@H](C[NH2+]C2CC2)C1 ZINC000111719703 185630749 /nfs/dbraw/zinc/63/07/49/185630749.db2.gz MEWNQGQRMNWLIX-OAHLLOKOSA-N 1 0 308.447 1.980 10 0 DDAERO COCC[N@@H+]1CCN(Cc2cc(C(=O)OC)ccc2F)C[C@@H]1C ZINC000181924188 199365196 /nfs/dbraw/zinc/36/51/96/199365196.db2.gz ACQZHBRSPIXDPJ-ZDUSSCGKSA-N 1 0 324.396 1.765 10 0 DDAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000616636043 362764960 /nfs/dbraw/zinc/76/49/60/362764960.db2.gz JDWDHFOZIMFKMO-CQSZACIVSA-N 1 0 306.410 1.553 10 0 DDAERO CC(C)(C)OC(=O)NCCN1CC[NH2+][C@H](c2cccc(N)n2)C1 ZINC000616634131 362765002 /nfs/dbraw/zinc/76/50/02/362765002.db2.gz MBNTXQKJONSQST-ZDUSSCGKSA-N 1 0 321.425 1.135 10 0 DDAERO CC(C)(C)OC(=O)N1CCC([C@@](O)(C[NH3+])C(F)(F)F)CC1 ZINC000675053092 539562655 /nfs/dbraw/zinc/56/26/55/539562655.db2.gz LQRQGUXGSBJAAT-LBPRGKRZSA-N 1 0 312.332 1.886 10 0 DDAERO C[C@@H]1CC[C@@H](C[NH3+])CN1C(=O)c1cc(Br)c[nH]1 ZINC000070180450 190868924 /nfs/dbraw/zinc/86/89/24/190868924.db2.gz YGQZIJXGPSTEHP-BDAKNGLRSA-N 1 0 300.200 1.977 10 0 DDAERO C[C@@H]1CCC[C@H](C[NH3+])N1C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000070151593 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CVORHVPIBLCLHE-JTQLQIEISA-N 1 0 315.391 1.119 10 0 DDAERO COc1ccc([C@@H]([C@@H](C)[NH3+])N(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000042961288 183323858 /nfs/dbraw/zinc/32/38/58/183323858.db2.gz HSDYOEKVDKPDEY-UXIGCNINSA-N 1 0 312.435 1.202 10 0 DDAERO Cc1ccsc1[C@H]([C@H](C)[NH3+])N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043248185 183346842 /nfs/dbraw/zinc/34/68/42/183346842.db2.gz JNKQFVWZCLLBME-TUAOUCFPSA-N 1 0 302.465 1.564 10 0 DDAERO C[C@H]([NH3+])[C@@H](Oc1cccc(S(C)(=O)=O)c1)c1ccccn1 ZINC000043343876 183356136 /nfs/dbraw/zinc/35/61/36/183356136.db2.gz YQSCIQFESPQZBX-XHDPSFHLSA-N 1 0 306.387 1.952 10 0 DDAERO C[C@@H]([NH3+])[C@H](Oc1ccc(S(C)(=O)=O)cc1)c1ccncc1 ZINC000043356231 183356796 /nfs/dbraw/zinc/35/67/96/183356796.db2.gz BZNNLRROQCICBZ-ABAIWWIYSA-N 1 0 306.387 1.952 10 0 DDAERO CNC(=O)CN(C)[C@H](C[NH3+])c1ccccc1Br ZINC000043091472 183336068 /nfs/dbraw/zinc/33/60/68/183336068.db2.gz AXMRAVGJBLZZOM-LLVKDONJSA-N 1 0 300.200 1.127 10 0 DDAERO C[NH2+]CCC(=O)Nc1ccccc1I ZINC000043599981 183375578 /nfs/dbraw/zinc/37/55/78/183375578.db2.gz LFGKKRMZUUZXNW-UHFFFAOYSA-N 1 0 304.131 1.839 10 0 DDAERO COC(=O)[C@H](C)Oc1c(Br)cc(C[NH3+])cc1OC ZINC000043625361 183376188 /nfs/dbraw/zinc/37/61/88/183376188.db2.gz AHFLNXYDZILWIW-ZETCQYMHSA-N 1 0 318.167 1.857 10 0 DDAERO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000043800922 183386425 /nfs/dbraw/zinc/38/64/25/183386425.db2.gz BISWROGKCRTAHX-LLVKDONJSA-N 1 0 312.391 1.414 10 0 DDAERO O=C1C[C@@H]([NH2+]Cc2cccc(Br)c2)C(=O)N1C1CC1 ZINC000104945803 194055474 /nfs/dbraw/zinc/05/54/74/194055474.db2.gz YIAJHWSBPPUJIK-GFCCVEGCSA-N 1 0 323.190 1.829 10 0 DDAERO COc1ccnc(CN2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c1OC ZINC000284714970 218145154 /nfs/dbraw/zinc/14/51/54/218145154.db2.gz HIEWBNHXYHXITG-NWANDNLSSA-N 1 0 322.405 1.461 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(CC(=O)N(C2CC2)C2CCCC2)C[C@@H]1C ZINC000105824223 194139021 /nfs/dbraw/zinc/13/90/21/194139021.db2.gz SMPRKRXQBBVPQQ-LSDHHAIUSA-N 1 0 323.481 1.307 10 0 DDAERO c1cnn(CCCCC[N@@H+]2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000105890970 194158572 /nfs/dbraw/zinc/15/85/72/194158572.db2.gz XZVXGHIQSVITFG-MRXNPFEDSA-N 1 0 303.410 1.651 10 0 DDAERO CCCCCNC(=O)C[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000105920030 194171699 /nfs/dbraw/zinc/17/16/99/194171699.db2.gz RXHXRPQKZLQXSZ-INIZCTEOSA-N 1 0 321.469 1.913 10 0 DDAERO CN(Cc1ccco1)C(=O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105920245 194170364 /nfs/dbraw/zinc/17/03/64/194170364.db2.gz SCZYCGPVICXLKS-UHFFFAOYSA-N 1 0 316.405 1.847 10 0 DDAERO C[NH+](C)C[C@H]1CN(Cc2noc(-c3ccsc3)n2)CCO1 ZINC000105926365 194171130 /nfs/dbraw/zinc/17/11/30/194171130.db2.gz FSPISAXQVSTWCM-LBPRGKRZSA-N 1 0 308.407 1.561 10 0 DDAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCCn1cccn1 ZINC000106430647 194213651 /nfs/dbraw/zinc/21/36/51/194213651.db2.gz CXCJEAGDAQEEOB-MRXNPFEDSA-N 1 0 300.406 1.562 10 0 DDAERO CCC1CCC(N(C)S(=O)(=O)N2CCC[NH2+]CC2)CC1 ZINC000049024453 183702992 /nfs/dbraw/zinc/70/29/92/183702992.db2.gz DRARZDCYKKNNIA-UHFFFAOYSA-N 1 0 303.472 1.427 10 0 DDAERO COCCCNC(=O)COc1ccc(Cl)cc1C[C@H](C)[NH3+] ZINC000049283434 183723487 /nfs/dbraw/zinc/72/34/87/183723487.db2.gz SOLIRABBYHEZJW-NSHDSACASA-N 1 0 314.813 1.761 10 0 DDAERO C[C@@H](CC[NH+](C)C)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000049558563 183741511 /nfs/dbraw/zinc/74/15/11/183741511.db2.gz FTQXXQPRPIMOQP-LBPRGKRZSA-N 1 0 311.451 1.879 10 0 DDAERO CCC[NH+]1CCC(NC(=O)c2cccc(C(N)=S)c2)CC1 ZINC000049560024 183741634 /nfs/dbraw/zinc/74/16/34/183741634.db2.gz VHPWCRKKTKMVDE-UHFFFAOYSA-N 1 0 305.447 1.925 10 0 DDAERO C[C@H](O)c1cccc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000049561839 183742265 /nfs/dbraw/zinc/74/22/65/183742265.db2.gz PQJNELYOEFFCLV-RYUDHWBXSA-N 1 0 300.424 1.358 10 0 DDAERO CCNC(=O)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[C@H](C)[NH3+] ZINC000050209184 183777797 /nfs/dbraw/zinc/77/77/97/183777797.db2.gz MCROUSJXIUULGO-DTWKUNHWSA-N 1 0 313.785 1.973 10 0 DDAERO COc1cc(CN2CC[C@H]([NH3+])C2)c(OC)cc1Br ZINC000050243218 183779002 /nfs/dbraw/zinc/77/90/02/183779002.db2.gz DNHWIZKNMHOJCX-JTQLQIEISA-N 1 0 315.211 1.999 10 0 DDAERO CCCNc1ncccc1S(=O)(=O)N[C@H](C)CC[NH+](C)C ZINC000050674993 183799359 /nfs/dbraw/zinc/79/93/59/183799359.db2.gz QMZRWKLHKAYNTN-GFCCVEGCSA-N 1 0 314.455 1.522 10 0 DDAERO C[C@H](C[NH3+])N1CCN(C(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000109447836 194264939 /nfs/dbraw/zinc/26/49/39/194264939.db2.gz AMMJAKYETLCRAK-SECBINFHSA-N 1 0 301.312 1.209 10 0 DDAERO CC[C@@H](C(N)=S)[NH+]1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000109460971 194265718 /nfs/dbraw/zinc/26/57/18/194265718.db2.gz JAWUIKRQOYYPKG-AWEZNQCLSA-N 1 0 305.447 1.818 10 0 DDAERO CCCNS(=O)(=O)c1ccccc1N(C)[C@H]1CCC[NH2+]C1 ZINC000110933118 194371196 /nfs/dbraw/zinc/37/11/96/194371196.db2.gz IOIAIVJMCKFCSF-ZDUSSCGKSA-N 1 0 311.451 1.563 10 0 DDAERO COCC[NH2+]C[C@@H](CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000054639534 183947369 /nfs/dbraw/zinc/94/73/69/183947369.db2.gz VSLRTQVUADSZDA-HUUCEWRRSA-N 1 0 303.468 1.854 10 0 DDAERO O=C1CC[C@@H]([NH2+]CCOc2cccc(Br)c2)CN1 ZINC000111020796 194384453 /nfs/dbraw/zinc/38/44/53/194384453.db2.gz XIACQLPHNJBOOW-LLVKDONJSA-N 1 0 313.195 1.696 10 0 DDAERO C[NH+](C)CCOC(=O)c1cc(N)c(F)cc1Br ZINC000061089670 184161260 /nfs/dbraw/zinc/16/12/60/184161260.db2.gz LRPFYKDMDSGDDZ-UHFFFAOYSA-N 1 0 305.147 1.889 10 0 DDAERO CC[NH2+]CCC(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000061298869 184167479 /nfs/dbraw/zinc/16/74/79/184167479.db2.gz IJUNELUAHLTGHI-UHFFFAOYSA-N 1 0 311.407 1.065 10 0 DDAERO COc1ccc([C@H](C[NH3+])Sc2n[nH]c(=O)n2C(C)C)cc1 ZINC000061595187 184176437 /nfs/dbraw/zinc/17/64/37/184176437.db2.gz JBEUWHLLGKPGSA-LBPRGKRZSA-N 1 0 308.407 1.953 10 0 DDAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C(C)C)c1cnn(C)c1 ZINC000061595086 184176553 /nfs/dbraw/zinc/17/65/53/184176553.db2.gz VNXACAJJRWTKQR-MNOVXSKESA-N 1 0 310.427 1.457 10 0 DDAERO CCCn1c(SCCC[C@@](C)([NH3+])C(=O)OCC)n[nH]c1=O ZINC000061608014 184178162 /nfs/dbraw/zinc/17/81/62/184178162.db2.gz VYKSUKDGDFURIC-CYBMUJFWSA-N 1 0 316.427 1.134 10 0 DDAERO CN(C(=O)[C@H](C(N)=S)c1ccccc1)[C@H]1CCC[N@H+](C)C1 ZINC000061616833 184179319 /nfs/dbraw/zinc/17/93/19/184179319.db2.gz VLTLCSPASWQTCW-KBPBESRZSA-N 1 0 305.447 1.609 10 0 DDAERO C[C@@H](O)c1cccc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061655572 184180943 /nfs/dbraw/zinc/18/09/43/184180943.db2.gz WSKIWWXRSRHNRH-TZMCWYRMSA-N 1 0 312.435 1.455 10 0 DDAERO C[C@@H]([NH3+])[C@H](c1cccnc1)N1CCN(CC(F)(F)F)CC1 ZINC000061940861 184197469 /nfs/dbraw/zinc/19/74/69/184197469.db2.gz KVXQHIFEEFGAIE-DGCLKSJQSA-N 1 0 302.344 1.650 10 0 DDAERO CN(c1cccc(C[NH3+])c1)S(=O)(=O)CCc1ccncc1 ZINC000061950496 184198417 /nfs/dbraw/zinc/19/84/17/184198417.db2.gz VVRMWRMLHUBNNF-UHFFFAOYSA-N 1 0 305.403 1.549 10 0 DDAERO CN(C1=NS(=O)(=O)c2ccccc21)c1cccc(C[NH3+])c1 ZINC000061951111 184198450 /nfs/dbraw/zinc/19/84/50/184198450.db2.gz OOWCFSNPKXXROF-UHFFFAOYSA-N 1 0 301.371 1.731 10 0 DDAERO C[C@@H]1C[C@H](C(=O)N2CCN(CC(F)(F)F)CC2)CC[C@@H]1[NH3+] ZINC000061950857 184198491 /nfs/dbraw/zinc/19/84/91/184198491.db2.gz DMVOWOVQZLQXJP-UTUOFQBUSA-N 1 0 307.360 1.456 10 0 DDAERO COCCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(C(N)=S)c1 ZINC000062031589 184202319 /nfs/dbraw/zinc/20/23/19/184202319.db2.gz RLFDLDBFZKQJSY-LLVKDONJSA-N 1 0 309.435 1.616 10 0 DDAERO C[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000062037921 184203011 /nfs/dbraw/zinc/20/30/11/184203011.db2.gz CXYYNJPIWDABLP-SWLSCSKDSA-N 1 0 314.426 1.818 10 0 DDAERO C[C@H](CNC(=O)c1nc(NN)ccc1Cl)C[NH+]1CCCC1 ZINC000062070920 184204610 /nfs/dbraw/zinc/20/46/10/184204610.db2.gz JRKPCMAINXAGDD-SNVBAGLBSA-N 1 0 311.817 1.482 10 0 DDAERO C[C@H](Cc1ccccc1)NS(=O)(=O)CCC1CC[NH2+]CC1 ZINC000062190124 184217793 /nfs/dbraw/zinc/21/77/93/184217793.db2.gz ZQSFZJDARGTKNN-CQSZACIVSA-N 1 0 310.463 1.927 10 0 DDAERO CCC[N@H+](CC[C@H](NC(C)C)C(=O)OCC)CCN(C)C ZINC000062527908 184241563 /nfs/dbraw/zinc/24/15/63/184241563.db2.gz JSGWEGUQWOTJTB-HNNXBMFYSA-N 1 0 301.475 1.580 10 0 DDAERO C[C@H]([NH3+])Cc1ccc(OCC(=O)N(C)C)c(Br)c1 ZINC000062704183 184248893 /nfs/dbraw/zinc/24/88/93/184248893.db2.gz ZKQUBXSSMLRWJF-VIFPVBQESA-N 1 0 315.211 1.806 10 0 DDAERO CC(C)(C)[NH2+]Cc1cccc(O[C@H]2CS(=O)(=O)C[C@H]2O)c1 ZINC000062731325 184251363 /nfs/dbraw/zinc/25/13/63/184251363.db2.gz XLWRJULMFRMCPQ-KGLIPLIRSA-N 1 0 313.419 1.111 10 0 DDAERO Cc1ccc(NC(=O)[C@@H]2C[NH2+][C@H](C)CN2)cc1C(F)(F)F ZINC000062815248 184254097 /nfs/dbraw/zinc/25/40/97/184254097.db2.gz KACNXMBYVYKQTO-SKDRFNHKSA-N 1 0 301.312 1.902 10 0 DDAERO NS(=O)(=O)c1ccc(N2CC[NH2+]Cc3ccccc32)cc1 ZINC000062819154 184254103 /nfs/dbraw/zinc/25/41/03/184254103.db2.gz FYVWZKUUVWHDEW-UHFFFAOYSA-N 1 0 303.387 1.575 10 0 DDAERO C[C@@]1(C(=O)Nc2ccc(Sc3nc[nH]n3)cc2)CC[NH2+]C1 ZINC000062893520 184258798 /nfs/dbraw/zinc/25/87/98/184258798.db2.gz NVVSOSITPDJYGG-CQSZACIVSA-N 1 0 303.391 1.894 10 0 DDAERO Cc1c(N)cccc1S(=O)(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062940590 184261246 /nfs/dbraw/zinc/26/12/46/184261246.db2.gz LQKGSOHOMUOCML-CYBMUJFWSA-N 1 0 309.435 1.436 10 0 DDAERO Cc1ccsc1[C@@H]([C@@H](C)[NH3+])N1CC[C@H](N2CCOCC2)C1 ZINC000062977921 184264551 /nfs/dbraw/zinc/26/45/51/184264551.db2.gz HNEOZTOFCLVNCX-QLFBSQMISA-N 1 0 309.479 1.851 10 0 DDAERO NC(=S)c1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1 ZINC000062980158 184264581 /nfs/dbraw/zinc/26/45/81/184264581.db2.gz WHGJVTSEGKRSOF-HNNXBMFYSA-N 1 0 305.447 1.227 10 0 DDAERO CCCNc1cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)ccn1 ZINC000062984613 184264696 /nfs/dbraw/zinc/26/46/96/184264696.db2.gz VPIGBYXOWOBBTC-GFCCVEGCSA-N 1 0 312.439 1.228 10 0 DDAERO CC[C@@H]([NH3+])Cc1cccc(OC)c1OCCCS(C)(=O)=O ZINC000063017564 184267096 /nfs/dbraw/zinc/26/70/96/184267096.db2.gz GSYIZKKKJVLACN-CYBMUJFWSA-N 1 0 315.435 1.789 10 0 DDAERO Cc1csc(CCNS(=O)(=O)C[C@@H]2CCCC[NH2+]2)n1 ZINC000063136118 184273233 /nfs/dbraw/zinc/27/32/33/184273233.db2.gz NAZUESNGYOUMGO-NSHDSACASA-N 1 0 303.453 1.056 10 0 DDAERO Cc1ccc(Br)cc1S(=O)(=O)NCC[C@@H](C)[NH3+] ZINC000063170946 184276117 /nfs/dbraw/zinc/27/61/17/184276117.db2.gz IZVGWTARRMMZKC-SECBINFHSA-N 1 0 321.240 1.773 10 0 DDAERO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)CCn1cccn1 ZINC000158982019 197316080 /nfs/dbraw/zinc/31/60/80/197316080.db2.gz OPDUXWMYRMDJDQ-OLZOCXBDSA-N 1 0 304.398 1.524 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ncn(-c2ccccc2)n1 ZINC000158469730 197275216 /nfs/dbraw/zinc/27/52/16/197275216.db2.gz HJCFIWSNPWLTCA-HNNXBMFYSA-N 1 0 313.405 1.824 10 0 DDAERO COC(=O)c1ccccc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000156661283 197131450 /nfs/dbraw/zinc/13/14/50/197131450.db2.gz WQKHTAIWSQGHTA-AWEZNQCLSA-N 1 0 314.389 1.977 10 0 DDAERO Cc1ccc2c(CN3CCO[C@H](C[NH+](C)C)C3)cc(=O)oc2c1 ZINC000155376763 197049210 /nfs/dbraw/zinc/04/92/10/197049210.db2.gz AJDJVUSEXKNVTM-OAHLLOKOSA-N 1 0 316.401 1.864 10 0 DDAERO CCc1ccc([C@H](C)[NH2+]CC(=O)NC(=O)N[C@H](C)COC)cc1 ZINC000120425658 195164288 /nfs/dbraw/zinc/16/42/88/195164288.db2.gz SKYYTIANHGHYPZ-OLZOCXBDSA-N 1 0 321.421 1.760 10 0 DDAERO CN1CCO[C@@H](CNC(=O)N2CCc3c2cccc3Cl)C1 ZINC000120552359 195188269 /nfs/dbraw/zinc/18/82/69/195188269.db2.gz SEQNFINZKYMBCB-NSHDSACASA-N 1 0 309.797 1.743 10 0 DDAERO O=C(NC1CCC1)[C@@H]1C[C@H]2CCN(Cc3ccoc3)C[C@@H]2O1 ZINC000247741949 257117885 /nfs/dbraw/zinc/11/78/85/257117885.db2.gz OLYKABWJGJVOKV-KBMXLJTQSA-N 1 0 304.390 1.928 10 0 DDAERO Fc1cnccc1C[N@@H+]1C[C@@H]2CCN(c3cnccn3)C[C@@H]2C1 ZINC000247546435 257119658 /nfs/dbraw/zinc/11/96/58/257119658.db2.gz UQCBYNFWDACFCH-ZFWWWQNUSA-N 1 0 313.380 1.969 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)Nc1cc(Cl)ccc1Cl ZINC000414655234 224368779 /nfs/dbraw/zinc/36/87/79/224368779.db2.gz DDKMJGVTYNNBKZ-HQJQHLMTSA-N 1 0 304.177 1.695 10 0 DDAERO CC(C)[N@H+]1C[C@H](NC(=O)NCc2cccc(N(C)C)n2)[C@@H](C)C1 ZINC000121729704 195336030 /nfs/dbraw/zinc/33/60/30/195336030.db2.gz ZBWXXJSQJCFBPP-ZFWWWQNUSA-N 1 0 319.453 1.676 10 0 DDAERO O=c1c(N2CC[NH2+]CC2)nc2cccnc2n1Cc1ccccc1 ZINC000021782478 134652820 /nfs/dbraw/zinc/65/28/20/134652820.db2.gz AKUCHGKXTLLFTD-UHFFFAOYSA-N 1 0 321.384 1.249 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)c1ccccc1OC ZINC000186083563 407571016 /nfs/dbraw/zinc/57/10/16/407571016.db2.gz OBNKKZAYZBOCFL-UONOGXRCSA-N 1 0 316.401 1.963 10 0 DDAERO CS[C@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000172552393 286708884 /nfs/dbraw/zinc/70/88/84/286708884.db2.gz YYZMRVBSXGRWSP-GJZGRUSLSA-N 1 0 308.447 1.880 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CNC(=O)Cc1ccccc1 ZINC000068223092 406626210 /nfs/dbraw/zinc/62/62/10/406626210.db2.gz VAMCZRPHGKCINA-MRXNPFEDSA-N 1 0 319.449 1.438 10 0 DDAERO COCc1cc(N[C@H]2CCC[NH2+]C2)nc(-c2cnccn2)n1 ZINC000070456546 406816644 /nfs/dbraw/zinc/81/66/44/406816644.db2.gz WQOBEXSOSLHDBZ-NSHDSACASA-N 1 0 300.366 1.244 10 0 DDAERO Cc1ccc(N2C[C@@H](C(=O)N3CC[C@H]([NH+](C)C)C3)CC2=O)cc1 ZINC000035959578 406976211 /nfs/dbraw/zinc/97/62/11/406976211.db2.gz QWDSLNGWMGBPNY-HOCLYGCPSA-N 1 0 315.417 1.510 10 0 DDAERO Cc1ccccc1C(=O)N[C@@H](C(=O)NCCC[NH+](C)C)C(C)C ZINC000045164308 407040468 /nfs/dbraw/zinc/04/04/68/407040468.db2.gz 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COCc1ccc(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)o1 ZINC000176894565 408468271 /nfs/dbraw/zinc/46/82/71/408468271.db2.gz MFHLXKYBGOATKI-CYBMUJFWSA-N 1 0 324.421 1.591 10 0 DDAERO CN(Cc1cccs1)C(=O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248356866 408550947 /nfs/dbraw/zinc/55/09/47/408550947.db2.gz OVVWYEKEUKTQPY-AWEZNQCLSA-N 1 0 307.463 1.877 10 0 DDAERO O=C(CN1CC[N@@H+]2CCCC[C@H]2C1)NCc1cc(F)cc(F)c1 ZINC000248337768 408551464 /nfs/dbraw/zinc/55/14/64/408551464.db2.gz HPEUYEOLLSALPK-INIZCTEOSA-N 1 0 323.387 1.751 10 0 DDAERO CC[C@H]1CN(C(=O)NCc2ccccc2C)CC[N@@H+]1C[C@H](C)O ZINC000248460236 408571989 /nfs/dbraw/zinc/57/19/89/408571989.db2.gz SGVOFPZHTHVYID-RDJZCZTQSA-N 1 0 319.449 1.982 10 0 DDAERO CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCn3ncnc32)CC1 ZINC000177314311 408578553 /nfs/dbraw/zinc/57/85/53/408578553.db2.gz JFESNECKRYRKBX-AWEZNQCLSA-N 1 0 320.441 1.533 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(OC)nc1 ZINC000177317364 408579999 /nfs/dbraw/zinc/57/99/99/408579999.db2.gz CTXITENCJRECBT-AWEZNQCLSA-N 1 0 306.410 1.716 10 0 DDAERO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248594138 408593505 /nfs/dbraw/zinc/59/35/05/408593505.db2.gz LUTHBLBSWBTZSK-YNEHKIRRSA-N 1 0 311.426 1.310 10 0 DDAERO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCNC(=O)[C@H]1C ZINC000248799157 408635946 /nfs/dbraw/zinc/63/59/46/408635946.db2.gz UTQASTLPCZCOIH-HUUCEWRRSA-N 1 0 324.469 1.561 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccnn2C(C)(C)C)C[C@@H]1C ZINC000248833995 408644422 /nfs/dbraw/zinc/64/44/22/408644422.db2.gz ZQGSKAXZMUVWBB-STQMWFEESA-N 1 0 323.441 1.557 10 0 DDAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)CO[C@H]2CCOC2)C12CCOCC2 ZINC000249002966 408673827 /nfs/dbraw/zinc/67/38/27/408673827.db2.gz NJWJFWXMPJWBOE-FXUDXRNXSA-N 1 0 313.438 1.744 10 0 DDAERO CCn1cnnc1[C@H]1CCC[N@H+](CCN2CCO[C@@H](C)C2)C1 ZINC000248950053 408663838 /nfs/dbraw/zinc/66/38/38/408663838.db2.gz CXPUFEOURZAZKE-GJZGRUSLSA-N 1 0 307.442 1.198 10 0 DDAERO CCC[C@@H](C(=O)N[C@H]1CCN(c2ccccc2)C1=O)[NH+](C)C ZINC000162083372 408668216 /nfs/dbraw/zinc/66/82/16/408668216.db2.gz IXUXLZLSOFKYDF-GJZGRUSLSA-N 1 0 303.406 1.638 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(Cl)cn1 ZINC000193420764 408719214 /nfs/dbraw/zinc/71/92/14/408719214.db2.gz WYTRQWWRIMVIAM-LBPRGKRZSA-N 1 0 324.812 1.616 10 0 DDAERO CCC[C@H](C(=O)N[C@H]1CCCN(c2cccnc2)C1=O)[NH+](C)C ZINC000185020285 408739101 /nfs/dbraw/zinc/73/91/01/408739101.db2.gz WUJFEJMADXUGBI-LSDHHAIUSA-N 1 0 318.421 1.424 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H](O)COCc1ccccc1 ZINC000252443557 408793747 /nfs/dbraw/zinc/79/37/47/408793747.db2.gz CZCUXJPDLUZHMU-BPQIPLTHSA-N 1 0 304.434 1.733 10 0 DDAERO COc1ccc(/C=C/C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1O ZINC000185454601 408809720 /nfs/dbraw/zinc/80/97/20/408809720.db2.gz DBJLTSZRGWKWER-HZRUHFOJSA-N 1 0 302.374 1.721 10 0 DDAERO COCCN1CCN(C(=O)NCC(C)(C)CCOC)C[C@H]1C ZINC000185155360 408772461 /nfs/dbraw/zinc/77/24/61/408772461.db2.gz DXURDVNLUSVFRF-CQSZACIVSA-N 1 0 315.458 1.411 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cccc(C(=O)NC)c2)C1 ZINC000194327449 408778035 /nfs/dbraw/zinc/77/80/35/408778035.db2.gz CCDOYFNUCUWBHE-AWEZNQCLSA-N 1 0 304.394 1.652 10 0 DDAERO Cc1nc2n(n1)CCC[C@H]2NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000187290861 163012420 /nfs/dbraw/zinc/01/24/20/163012420.db2.gz PXINSWSRFXGXPW-CYBMUJFWSA-N 1 0 320.441 1.547 10 0 DDAERO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000189315961 163095234 /nfs/dbraw/zinc/09/52/34/163095234.db2.gz IVYITTADVYRGFM-KWQFWETISA-N 1 0 306.790 1.898 10 0 DDAERO O=C(c1ccc(=O)n(-c2ccccc2)n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195329500 163317368 /nfs/dbraw/zinc/31/73/68/163317368.db2.gz GPICRFBTAMNSAA-OAHLLOKOSA-N 1 0 324.384 1.153 10 0 DDAERO COCCCCNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000184842648 306715149 /nfs/dbraw/zinc/71/51/49/306715149.db2.gz KIFJVJYCYDAIAC-AWEZNQCLSA-N 1 0 315.458 1.147 10 0 DDAERO Cc1cc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c2cnn(C)c2n1 ZINC000261935026 163732517 /nfs/dbraw/zinc/73/25/17/163732517.db2.gz WTBXTIUSOSCEBC-ZDUSSCGKSA-N 1 0 301.394 1.476 10 0 DDAERO [NH3+]CC1(C(=O)NC[C@H](O)c2cccc(Cl)c2)CCOCC1 ZINC000261974320 163740097 /nfs/dbraw/zinc/74/00/97/163740097.db2.gz QWDQRRQOESATOF-ZDUSSCGKSA-N 1 0 312.797 1.245 10 0 DDAERO COc1cc(C)ccc1OCC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262020251 163749308 /nfs/dbraw/zinc/74/93/08/163749308.db2.gz OSEDVBINIQVAMA-HNNXBMFYSA-N 1 0 306.406 1.968 10 0 DDAERO Cc1nc(-c2ccccc2)ccc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262055831 163758103 /nfs/dbraw/zinc/75/81/03/163758103.db2.gz AKKSICHQEDZHLL-WMLDXEAASA-N 1 0 311.385 1.367 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000262125830 163772602 /nfs/dbraw/zinc/77/26/02/163772602.db2.gz GCHXFOYNEKHXPW-MLHJIOFPSA-N 1 0 310.397 1.640 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCCC2)cc1C ZINC000262525149 163843321 /nfs/dbraw/zinc/84/33/21/163843321.db2.gz LFSFAXUNCBJZFA-ZDUSSCGKSA-N 1 0 305.378 1.143 10 0 DDAERO CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000262602838 163856945 /nfs/dbraw/zinc/85/69/45/163856945.db2.gz QQXFSMUUWDCYGB-OCCSQVGLSA-N 1 0 306.410 1.686 10 0 DDAERO CCc1cnc(N2CCN(C(=O)[C@H]3CC[C@H]([NH3+])C3)CC2)s1 ZINC000262679505 163864762 /nfs/dbraw/zinc/86/47/62/163864762.db2.gz WGVIMWQSUJUCFU-RYUDHWBXSA-N 1 0 308.451 1.482 10 0 DDAERO C[C@@H](O)C[C@H]1COCCN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000162897413 287107627 /nfs/dbraw/zinc/10/76/27/287107627.db2.gz YDQNSXAAZPIZSF-PBHICJAKSA-N 1 0 310.413 1.729 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H](O)c2ccccc2F)C1 ZINC000132489203 196259235 /nfs/dbraw/zinc/25/92/35/196259235.db2.gz PSPAKVXNGITBAB-KCXAZCMYSA-N 1 0 323.412 1.887 10 0 DDAERO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(Nc2ncnc3nc[nH]c32)CC1 ZINC000132980045 196302077 /nfs/dbraw/zinc/30/20/77/196302077.db2.gz SDWURJSZOPOSMF-QWHCGFSZSA-N 1 0 316.409 1.533 10 0 DDAERO Cc1ccc2cccc(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)c2n1 ZINC000133762190 196334944 /nfs/dbraw/zinc/33/49/44/196334944.db2.gz CZNFOPRRITYNJY-HNNXBMFYSA-N 1 0 313.401 1.946 10 0 DDAERO C[C@H](NC(=O)CC1CCCCC1)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000246191185 299043028 /nfs/dbraw/zinc/04/30/28/299043028.db2.gz DDRKEAJYTZMNGQ-QEJZJMRPSA-N 1 0 309.454 1.705 10 0 DDAERO CCCC1CCC(NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)CC1 ZINC000049547590 418479020 /nfs/dbraw/zinc/47/90/20/418479020.db2.gz NJCSSNVCKHOBMN-WXRRBKDZSA-N 1 0 304.456 1.224 10 0 DDAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291073038 222116885 /nfs/dbraw/zinc/11/68/85/222116885.db2.gz FLZAJQYUQLSJCF-BFHYXJOUSA-N 1 0 319.323 1.820 10 0 DDAERO CCCCOC[C@@H](O)C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000195095020 222190095 /nfs/dbraw/zinc/19/00/95/222190095.db2.gz SVCSQVINAFKVMA-INIZCTEOSA-N 1 0 312.454 1.498 10 0 DDAERO COC[C@@](C)(O)C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000382564385 418731015 /nfs/dbraw/zinc/73/10/15/418731015.db2.gz NDFYBNIMCJAKRU-BBRMVZONSA-N 1 0 316.442 1.621 10 0 DDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000384356146 418734594 /nfs/dbraw/zinc/73/45/94/418734594.db2.gz FJBRWSDBEDYKNL-DZGCQCFKSA-N 1 0 303.406 1.279 10 0 DDAERO O=C(c1csc(Br)c1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424045992 228222678 /nfs/dbraw/zinc/22/26/78/228222678.db2.gz OSULXDOXAJGYCX-DTWKUNHWSA-N 1 0 317.208 1.323 10 0 DDAERO Ic1ccc(NC[C@@H]2C[NH2+]CCO2)nc1 ZINC000420292884 420187233 /nfs/dbraw/zinc/18/72/33/420187233.db2.gz ZPZOIZAMLWPQMW-VIFPVBQESA-N 1 0 319.146 1.087 10 0 DDAERO CC[C@H]1CN(C(=O)/C=C\c2cncc(O)c2)CC[N@@H+]1CCOC ZINC000492442835 420559706 /nfs/dbraw/zinc/55/97/06/420559706.db2.gz PFFJEMYAHWSSRN-XVWMLYKFSA-N 1 0 319.405 1.370 10 0 DDAERO CO[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)[C@@](C)(C[NH3+])C1 ZINC000630361580 422047760 /nfs/dbraw/zinc/04/77/60/422047760.db2.gz KHQNMZSXVZITKE-DGCLKSJQSA-N 1 0 318.826 1.467 10 0 DDAERO CO[C@@H]1CN(C(=O)c2occc2Br)[C@](C)(C[NH3+])C1 ZINC000630372803 422059093 /nfs/dbraw/zinc/05/90/93/422059093.db2.gz XMIVXMQXEYAUSS-UFBFGSQYSA-N 1 0 317.183 1.620 10 0 DDAERO CCS(=O)(=O)c1ccc(N(C)CCOCC[NH2+]C)cc1 ZINC000630531405 422159444 /nfs/dbraw/zinc/15/94/44/422159444.db2.gz VUQUSDFKKNXPAF-UHFFFAOYSA-N 1 0 300.424 1.152 10 0 DDAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000637866885 422434742 /nfs/dbraw/zinc/43/47/42/422434742.db2.gz CXRLOXDMXBLATA-HGTKMLMNSA-N 1 0 306.406 1.555 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCCNC(=O)OC(C)(C)C)C1 ZINC000193686766 263492574 /nfs/dbraw/zinc/49/25/74/263492574.db2.gz OQPZAIYZFSKCTH-CYBMUJFWSA-N 1 0 313.442 1.892 10 0 DDAERO NC(=O)C[C@]1(O)CCC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000643745654 423309623 /nfs/dbraw/zinc/30/96/23/423309623.db2.gz OMLQKKDPIMYTBX-QGZVFWFLSA-N 1 0 314.389 1.075 10 0 DDAERO CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2cnc(N(C)C)n2C)C1 ZINC000643772658 423333668 /nfs/dbraw/zinc/33/36/68/423333668.db2.gz MLHQZCRAHXFZGP-OLZOCXBDSA-N 1 0 304.398 1.171 10 0 DDAERO CC(C)Cc1noc(CN[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)n1 ZINC000643963850 423421876 /nfs/dbraw/zinc/42/18/76/423421876.db2.gz NJNVZQUPNYFFCZ-MCIONIFRSA-N 1 0 308.426 1.345 10 0 DDAERO Brc1cncc(N2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000261589777 275377281 /nfs/dbraw/zinc/37/72/81/275377281.db2.gz WMSXTASPRAHETP-GFCCVEGCSA-N 1 0 311.227 1.328 10 0 DDAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCCn2ncnc21 ZINC000246064483 276157025 /nfs/dbraw/zinc/15/70/25/276157025.db2.gz BLWGOXQYLXPTCZ-OLZOCXBDSA-N 1 0 306.414 1.287 10 0 DDAERO CCNc1ncc(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)cn1 ZINC000067588560 276271735 /nfs/dbraw/zinc/27/17/35/276271735.db2.gz NCMACJXAABXUQT-MRXNPFEDSA-N 1 0 303.410 1.466 10 0 DDAERO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000178286775 277278080 /nfs/dbraw/zinc/27/80/80/277278080.db2.gz GGLFPIPSSYWMSJ-LBPRGKRZSA-N 1 0 319.430 1.945 10 0 DDAERO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]CC1(O)CCOCC1 ZINC000309928296 278340962 /nfs/dbraw/zinc/34/09/62/278340962.db2.gz YBMFSPPFJBBGGT-VXGBXAGGSA-N 1 0 302.415 1.419 10 0 DDAERO CC[N@H+](CC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1)C1CC1 ZINC000152785136 279048020 /nfs/dbraw/zinc/04/80/20/279048020.db2.gz RPGLMRLDXJNZQX-HNNXBMFYSA-N 1 0 317.437 1.388 10 0 DDAERO CC[C@H](O)C[NH+]1CCN([C@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000118856729 288111680 /nfs/dbraw/zinc/11/16/80/288111680.db2.gz OSIRTTKMAOUSHR-CVEARBPZSA-N 1 0 311.470 1.022 10 0 DDAERO CC[C@](C)([NH2+]C[C@@H](O)CN1CCCC1=O)c1nc(C)cs1 ZINC000126744848 281251215 /nfs/dbraw/zinc/25/12/15/281251215.db2.gz BAOKMKUIEGOWQX-DOMZBBRYSA-N 1 0 311.451 1.650 10 0 DDAERO CSC[C@H](CCO)NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000128121767 281299728 /nfs/dbraw/zinc/29/97/28/281299728.db2.gz CLYKASUDRAZCPQ-UONOGXRCSA-N 1 0 317.499 1.520 10 0 DDAERO CCC[C@@H](C(=O)NCCNC(=O)CC1CCCCC1)[NH+](C)C ZINC000130269299 281373838 /nfs/dbraw/zinc/37/38/38/281373838.db2.gz KYIQRKPHOMDZKN-HNNXBMFYSA-N 1 0 311.470 1.920 10 0 DDAERO CC[C@@H]1CN(C(=O)N[C@H](C)CSC)CC[N@@H+]1CCOC ZINC000246750940 282012484 /nfs/dbraw/zinc/01/24/84/282012484.db2.gz LVJQSIGGBOHMHB-CHWSQXEVSA-N 1 0 303.472 1.490 10 0 DDAERO Cc1cnn(CCNC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000246640756 293002296 /nfs/dbraw/zinc/00/22/96/293002296.db2.gz DUGKPSKRKYJTEU-UKRRQHHQSA-N 1 0 307.442 1.611 10 0 DDAERO Cc1nc(C[C@@H]2CCC[N@H+](C[C@H](O)COC(C)(C)C)C2)no1 ZINC000171503685 293275886 /nfs/dbraw/zinc/27/58/86/293275886.db2.gz FOXDNOSIJDRVJZ-KBPBESRZSA-N 1 0 311.426 1.809 10 0 DDAERO Cn1cc([C@]2(C)CN(C(=O)[C@@H]3CCCC[C@]3(C)[NH3+])CCO2)cn1 ZINC000263294167 294307785 /nfs/dbraw/zinc/30/77/85/294307785.db2.gz WBHWOFFABHFAFF-XIRDDKMYSA-N 1 0 320.437 1.402 10 0 DDAERO Cn1ncc(N[C@H]2CCCC[C@H]2C[NH3+])c(Br)c1=O ZINC000159664192 294543656 /nfs/dbraw/zinc/54/36/56/294543656.db2.gz OUTGNYWATRQXIZ-IUCAKERBSA-N 1 0 315.215 1.472 10 0 DDAERO [NH3+]C1(C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)CCOCC1 ZINC000261957060 295203678 /nfs/dbraw/zinc/20/36/78/295203678.db2.gz ZSIYZXMBXFPMRW-QWRGUYRKSA-N 1 0 308.344 1.979 10 0 DDAERO C[C@@H]1CN(c2ncc(I)cn2)[C@H](C)C[NH2+]1 ZINC000164372571 298211830 /nfs/dbraw/zinc/21/18/30/298211830.db2.gz QZYIHKLCQJYCMD-HTQZYQBOSA-N 1 0 318.162 1.268 10 0 DDAERO CSc1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170873666 298223374 /nfs/dbraw/zinc/22/33/74/298223374.db2.gz HAPHVUNGQJGSBV-LLVKDONJSA-N 1 0 300.449 1.733 10 0 DDAERO O=c1c2ccccc2ncn1CC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000172246182 298244107 /nfs/dbraw/zinc/24/41/07/298244107.db2.gz SAFYPTTXJVDAAE-UHFFFAOYSA-N 1 0 323.400 1.999 10 0 DDAERO CC[C@H]1CN(C(=O)NCC(C)(C)OC)CC[N@@H+]1CCOC ZINC000173235356 298253871 /nfs/dbraw/zinc/25/38/71/298253871.db2.gz NBNILYRJXVEPEM-ZDUSSCGKSA-N 1 0 301.431 1.164 10 0 DDAERO C[C@@H]([NH2+]Cc1nncn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400524458 302369912 /nfs/dbraw/zinc/36/99/12/302369912.db2.gz PMGPRLZICFUOPS-NEPJUHHUSA-N 1 0 309.414 1.550 10 0 DDAERO CC(C)NC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400756315 302370190 /nfs/dbraw/zinc/37/01/90/302370190.db2.gz XCPRXSBARZYKTQ-STQMWFEESA-N 1 0 313.442 1.746 10 0 DDAERO 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DDAERO C[NH+](C)C[C@@H]1CN(C(=O)CCc2cccc3c2OCO3)CCO1 ZINC000184556937 282122976 /nfs/dbraw/zinc/12/29/76/282122976.db2.gz AYIHGINNEBAKSS-CQSZACIVSA-N 1 0 320.389 1.137 10 0 DDAERO CCCS(=O)(=O)C[C@@H]([NH2+]CC)c1ccc2c(c1)OCCO2 ZINC000081939424 192342816 /nfs/dbraw/zinc/34/28/16/192342816.db2.gz QHGHCYJANVRQIA-CYBMUJFWSA-N 1 0 313.419 1.933 10 0 DDAERO C[NH2+][C@@H]1CC[C@H](c2ccccc2)C[C@@H]1S(=O)(=O)CCOC ZINC000081944896 192345113 /nfs/dbraw/zinc/34/51/13/192345113.db2.gz GPUIHRQLOYNYHO-XHSDSOJGSA-N 1 0 311.447 1.972 10 0 DDAERO CNS(=O)(=O)c1cccc(NC(=O)CC[C@@H](C)CC[NH3+])c1 ZINC000079117555 185159390 /nfs/dbraw/zinc/15/93/90/185159390.db2.gz NQOMYNNGWMGJFJ-LLVKDONJSA-N 1 0 313.423 1.298 10 0 DDAERO C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)S(=O)(=O)CCOC ZINC000081944935 192345422 /nfs/dbraw/zinc/34/54/22/192345422.db2.gz OMZBAUSXXXAAKM-BXUZGUMPSA-N 1 0 301.408 1.405 10 0 DDAERO C[N@@H+]1CCCC[C@H]1CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000082315592 185175681 /nfs/dbraw/zinc/17/56/81/185175681.db2.gz OCVCFCRRNHEKPG-AWEZNQCLSA-N 1 0 319.405 1.438 10 0 DDAERO COc1cccc(C(=O)N2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000082348089 185176843 /nfs/dbraw/zinc/17/68/43/185176843.db2.gz SUOMVQRCFSYRRU-UHFFFAOYSA-N 1 0 317.433 1.547 10 0 DDAERO O[C@@H]1C[NH2+]C[C@H]1Oc1cccc(I)c1 ZINC000082524976 185191050 /nfs/dbraw/zinc/19/10/50/185191050.db2.gz XVJNDRKMXXZIAY-NXEZZACHSA-N 1 0 305.115 1.003 10 0 DDAERO C[NH2+][C@@H](CCO)C[S@@](=O)c1ccc(Br)cc1 ZINC000082990287 185210373 /nfs/dbraw/zinc/21/03/73/185210373.db2.gz MVRNIYHEVMRHIG-QFYYESIMSA-N 1 0 306.225 1.527 10 0 DDAERO O=c1cc(C[N@@H+]2CCC[C@@H](n3cccn3)C2)nc2ccccn12 ZINC000328679050 231304174 /nfs/dbraw/zinc/30/41/74/231304174.db2.gz BLDPBJHFFRADJY-OAHLLOKOSA-N 1 0 309.373 1.728 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC1(OC)CCOCC1 ZINC000125746892 539181402 /nfs/dbraw/zinc/18/14/02/539181402.db2.gz KPTYGFKXOQJMKM-CQSZACIVSA-N 1 0 313.442 1.308 10 0 DDAERO CCC[C@H](C[NH3+])NS(=O)(=O)c1cccc(Br)c1 ZINC000087403984 185223957 /nfs/dbraw/zinc/22/39/57/185223957.db2.gz TWBXBQWIXBSTLF-SNVBAGLBSA-N 1 0 321.240 1.855 10 0 DDAERO Cc1cnc2c(cccc2S(=O)(=O)N[C@H](C[NH3+])C(C)C)c1 ZINC000087404816 185223993 /nfs/dbraw/zinc/22/39/93/185223993.db2.gz UOTSVNYMZZYKQI-CYBMUJFWSA-N 1 0 307.419 1.805 10 0 DDAERO COc1cc(C)c(S(=O)(=O)N[C@H](C[NH3+])C(C)C)c(C)c1 ZINC000087405004 185224001 /nfs/dbraw/zinc/22/40/01/185224001.db2.gz BBCKNPPPWBKSLB-CYBMUJFWSA-N 1 0 300.424 1.574 10 0 DDAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccc(NS(=O)(=O)CC)cc1 ZINC000087523876 185227580 /nfs/dbraw/zinc/22/75/80/185227580.db2.gz OEDTUQCOEPHHEO-NSHDSACASA-N 1 0 313.423 1.762 10 0 DDAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 ZINC000087522278 185227763 /nfs/dbraw/zinc/22/77/63/185227763.db2.gz URYPQTGCMSEFPR-VIFPVBQESA-N 1 0 317.386 1.511 10 0 DDAERO CC(C)c1nsc(N2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)n1 ZINC000087642432 185229819 /nfs/dbraw/zinc/22/98/19/185229819.db2.gz CQIOQRHQIJCMFM-LLVKDONJSA-N 1 0 309.439 1.062 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)C1 ZINC000152007169 539200061 /nfs/dbraw/zinc/20/00/61/539200061.db2.gz UNARMNBNTCYWBS-GJZGRUSLSA-N 1 0 322.453 1.123 10 0 DDAERO NNc1nc(NCC2(O)CCCCC2)c(Br)c[nH+]1 ZINC000087883722 185234565 /nfs/dbraw/zinc/23/45/65/185234565.db2.gz WPNNEPDMRJDIMH-UHFFFAOYSA-N 1 0 316.203 1.632 10 0 DDAERO C[C@@H]1CN(c2nc(NN)[nH+]cc2Br)C[C@@H](C)O1 ZINC000087897393 185235553 /nfs/dbraw/zinc/23/55/53/185235553.db2.gz QQDAWNSEOSECNP-RNFRBKRXSA-N 1 0 302.176 1.138 10 0 DDAERO COc1cc([C@H](C[NH3+])NCC(F)(F)F)cc(OC)c1OC ZINC000087929554 185237661 /nfs/dbraw/zinc/23/76/61/185237661.db2.gz XHKGMHUKNVGMNV-VIFPVBQESA-N 1 0 308.300 1.864 10 0 DDAERO O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000088056147 185238139 /nfs/dbraw/zinc/23/81/39/185238139.db2.gz YORATNMHLAQCFI-SNVBAGLBSA-N 1 0 310.297 1.689 10 0 DDAERO [NH3+]CCC[S@@](=O)CCOc1cccc(Br)c1 ZINC000088066623 185238535 /nfs/dbraw/zinc/23/85/35/185238535.db2.gz AUSXLNRCRXFSMZ-INIZCTEOSA-N 1 0 306.225 1.925 10 0 DDAERO NNc1nc(N2[C@@H]3CC[C@H]2CC(O)C3)c(Br)c[nH+]1 ZINC000087877764 185234001 /nfs/dbraw/zinc/23/40/01/185234001.db2.gz WMBXEQRUNQWPJL-DHBOJHSNSA-N 1 0 314.187 1.017 10 0 DDAERO CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2c[nH]nc2C)ncn1 ZINC000180851167 539236493 /nfs/dbraw/zinc/23/64/93/539236493.db2.gz KHDYECLBVCFJRQ-YPMHNXCESA-N 1 0 315.425 1.869 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)Nc1ccc(SC)cc1)C(C)C ZINC000183673666 539243022 /nfs/dbraw/zinc/24/30/22/539243022.db2.gz ZABKJSZCEXNESZ-CQSZACIVSA-N 1 0 309.435 1.707 10 0 DDAERO CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCC[NH+](CC)CC ZINC000088478717 185252491 /nfs/dbraw/zinc/25/24/91/185252491.db2.gz NYESUPMSPRTQKW-CYBMUJFWSA-N 1 0 322.457 1.707 10 0 DDAERO [NH3+][C@@H](Cc1ccccc1)[C@H](O)Cn1cc(Br)cn1 ZINC000088397795 185248410 /nfs/dbraw/zinc/24/84/10/185248410.db2.gz HJTBSVHJLQRCET-QWHCGFSZSA-N 1 0 310.195 1.577 10 0 DDAERO COc1ccccc1OCCSc1nnc(C)n1CC[NH3+] ZINC000088402443 185248607 /nfs/dbraw/zinc/24/86/07/185248607.db2.gz LVTZIMNKRPXWLU-UHFFFAOYSA-N 1 0 308.407 1.725 10 0 DDAERO CN(CCC(F)(F)F)S(=O)(=O)c1cccc2c1CC[NH2+]C2 ZINC000088431646 185249750 /nfs/dbraw/zinc/24/97/50/185249750.db2.gz QUIALPJDJRGBGU-UHFFFAOYSA-N 1 0 322.352 1.905 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@H](C)OC(C)(C)C2)o1 ZINC000088544262 185256583 /nfs/dbraw/zinc/25/65/83/185256583.db2.gz IFDQNPWIJXWMAF-NSHDSACASA-N 1 0 316.423 1.577 10 0 DDAERO Cc1c(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)ccn1C ZINC000195294360 539263510 /nfs/dbraw/zinc/26/35/10/539263510.db2.gz YTMATJNEXZHOEN-CYBMUJFWSA-N 1 0 307.438 1.498 10 0 DDAERO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(O)c(Br)c2)C1=O ZINC000088774403 185265214 /nfs/dbraw/zinc/26/52/14/185265214.db2.gz VRAWFVUASBCCSE-SECBINFHSA-N 1 0 313.151 1.002 10 0 DDAERO CC[C@@H]1CN(C(=O)N[C@H](C)c2ccccn2)CC[N@@H+]1C[C@H](C)O ZINC000248465440 539272033 /nfs/dbraw/zinc/27/20/33/539272033.db2.gz ZIKWDUQVJIJSPO-RRFJBIMHSA-N 1 0 320.437 1.629 10 0 DDAERO CC[NH2+][C@H]1CCC2(C[C@@H]1S(=O)(=O)C1CCCC1)OCCO2 ZINC000081988462 192350170 /nfs/dbraw/zinc/35/01/70/192350170.db2.gz OWQHUOCIPHNBRS-KBPBESRZSA-N 1 0 317.451 1.618 10 0 DDAERO CC(C)(C)[NH2+]CCS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000081990754 192350235 /nfs/dbraw/zinc/35/02/35/192350235.db2.gz SCORILFKFUNPLZ-UHFFFAOYSA-N 1 0 319.448 1.252 10 0 DDAERO [NH3+][C@@H]1c2ccccc2CCC[C@@H]1S(=O)(=O)C1CCOCC1 ZINC000081989953 192350515 /nfs/dbraw/zinc/35/05/15/192350515.db2.gz PILDAWMKPWWPKL-JKSUJKDBSA-N 1 0 309.431 1.985 10 0 DDAERO Cc1ccccc1C[S@@](=O)[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000082011795 192353144 /nfs/dbraw/zinc/35/31/44/192353144.db2.gz YQSMIJZCPGVZNY-ZSDSOXJFSA-N 1 0 309.431 1.867 10 0 DDAERO C[NH2+][C@@H](C[S@](=O)CCCOC)c1ccc(OC)c(OC)c1 ZINC000081998453 192353422 /nfs/dbraw/zinc/35/34/22/192353422.db2.gz BMFHDRJLAJSMMN-ZSEKCTLFSA-N 1 0 315.435 1.750 10 0 DDAERO [NH3+]CCn1nnnc1CSc1ccccc1Br ZINC000090247583 185288098 /nfs/dbraw/zinc/28/80/98/185288098.db2.gz YHFISAHWNCCZGZ-UHFFFAOYSA-N 1 0 314.212 1.687 10 0 DDAERO CCCN(C1C[NH2+]C1)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000090293271 185289856 /nfs/dbraw/zinc/28/98/56/185289856.db2.gz XYJMEQGOYLJODB-UHFFFAOYSA-N 1 0 311.407 1.018 10 0 DDAERO O=C(c1cc(Cl)cn1C1CC1)N1CCN(C2C[NH2+]C2)CC1 ZINC000090306963 185290286 /nfs/dbraw/zinc/29/02/86/185290286.db2.gz KCKBBJSSPNHYMQ-UHFFFAOYSA-N 1 0 308.813 1.206 10 0 DDAERO O=C(c1ccc(Br)cc1O)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090321085 185290941 /nfs/dbraw/zinc/29/09/41/185290941.db2.gz RQMXPYXFMKGXDK-IUCAKERBSA-N 1 0 311.179 1.446 10 0 DDAERO O=S(=O)(c1cc(Cl)cc(Cl)c1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090322301 185290958 /nfs/dbraw/zinc/29/09/58/185290958.db2.gz CYRUJSBNDYLGBH-RKDXNWHRSA-N 1 0 321.229 1.833 10 0 DDAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1CC(=O)N1CCc2sccc2C1 ZINC000090326705 185291343 /nfs/dbraw/zinc/29/13/43/185291343.db2.gz USKKYUTZVVOCGS-MRVWCRGKSA-N 1 0 305.447 1.173 10 0 DDAERO CC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000090489619 185298919 /nfs/dbraw/zinc/29/89/19/185298919.db2.gz IBQSHEPUQMWGCH-JQWIXIFHSA-N 1 0 311.769 1.002 10 0 DDAERO COc1cc(Cl)c(NC(=O)[C@@H]2COC[C@H]2[NH3+])cc1OC ZINC000090380472 185293771 /nfs/dbraw/zinc/29/37/71/185293771.db2.gz PCBJAOUUDBCSPA-VXNVDRBHSA-N 1 0 300.742 1.269 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1C(=O)NCc1ccc(Br)cc1 ZINC000090431955 185296057 /nfs/dbraw/zinc/29/60/57/185296057.db2.gz PBIIPDHTHOGLRC-RYUDHWBXSA-N 1 0 313.195 1.300 10 0 DDAERO Cc1cccc(Cl)c1NS(=O)(=O)CCN1CC[NH2+]CC1 ZINC000090538236 185301648 /nfs/dbraw/zinc/30/16/48/185301648.db2.gz NXNAEIJMENCPNI-UHFFFAOYSA-N 1 0 317.842 1.295 10 0 DDAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)N1CCC(C(F)(F)F)CC1 ZINC000090546504 185302154 /nfs/dbraw/zinc/30/21/54/185302154.db2.gz BQVXONRJXAVFAR-NEPJUHHUSA-N 1 0 308.344 1.802 10 0 DDAERO CC[NH2+][C@](CO[C@@H](C)C(F)(F)F)(C(N)=O)c1ccccc1 ZINC000090674588 185308811 /nfs/dbraw/zinc/30/88/11/185308811.db2.gz JWVCTSXXVYSGSM-GWCFXTLKSA-N 1 0 304.312 1.944 10 0 DDAERO CCNc1ccccc1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000092672301 185332806 /nfs/dbraw/zinc/33/28/06/185332806.db2.gz QJTVZFNRCHXDGP-ZDUSSCGKSA-N 1 0 311.451 1.833 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cccc(F)c1N ZINC000092622784 185329773 /nfs/dbraw/zinc/32/97/73/185329773.db2.gz HRYTZGMFWPWODU-NSHDSACASA-N 1 0 315.414 1.513 10 0 DDAERO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(Cl)c(N)c1 ZINC000092622345 185329938 /nfs/dbraw/zinc/32/99/38/185329938.db2.gz UVUKEBSATJZMOK-SNVBAGLBSA-N 1 0 317.842 1.637 10 0 DDAERO CC[NH2+][C@@H]1c2cc(OC)ccc2C[C@H]1S(=O)(=O)CCOC ZINC000092859215 185346865 /nfs/dbraw/zinc/34/68/65/185346865.db2.gz QEKNNXFHOHTUGD-HUUCEWRRSA-N 1 0 313.419 1.332 10 0 DDAERO C[N@@H+]1C[C@@H](C(=O)NCc2cccc(C#N)c2)[C@H](C(F)(F)F)C1 ZINC000299745665 529816753 /nfs/dbraw/zinc/81/67/53/529816753.db2.gz RSCIDZIFVPWSSG-CHWSQXEVSA-N 1 0 311.307 1.915 10 0 DDAERO CCN(C1(C[NH3+])CCCCC1)S(=O)(=O)c1cn(C)cn1 ZINC000052095868 190682672 /nfs/dbraw/zinc/68/26/72/190682672.db2.gz HUPVDSILYWFQAS-UHFFFAOYSA-N 1 0 300.428 1.092 10 0 DDAERO CC(C)(C)OC(=O)NC[C@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000616636360 362764789 /nfs/dbraw/zinc/76/47/89/362764789.db2.gz KCLPGVHGUULWFH-OAHLLOKOSA-N 1 0 305.422 1.985 10 0 DDAERO CC(C)(C)OC(=O)Nc1ccc([C@H]2CN(CCO)CC[NH2+]2)cc1 ZINC000616631920 362765086 /nfs/dbraw/zinc/76/50/86/362765086.db2.gz IKRZXJRHNCRBMK-OAHLLOKOSA-N 1 0 321.421 1.972 10 0 DDAERO CCC[C@@H](C(=O)NCCc1cccc(C(=O)NC)c1)[NH+](C)C ZINC000162253222 290793837 /nfs/dbraw/zinc/79/38/37/290793837.db2.gz FNQHRPZWMNBEKV-HNNXBMFYSA-N 1 0 305.422 1.435 10 0 DDAERO O=C(Nc1ccnn1C1C[NH2+]C1)c1cc(Br)c[nH]1 ZINC000725258187 539569915 /nfs/dbraw/zinc/56/99/15/539569915.db2.gz JVZAPVNDMVNJDX-UHFFFAOYSA-N 1 0 310.155 1.370 10 0 DDAERO CCCNS(=O)(=O)c1ccc(N2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000071148334 190936549 /nfs/dbraw/zinc/93/65/49/190936549.db2.gz JGTOGGBPTFPWRE-ZDUSSCGKSA-N 1 0 311.451 1.421 10 0 DDAERO CC[NH+]1CCC(CNS(=O)(=O)c2cnccc2Cl)CC1 ZINC000071204586 190942098 /nfs/dbraw/zinc/94/20/98/190942098.db2.gz ALRTYSNHGWOMGL-UHFFFAOYSA-N 1 0 317.842 1.745 10 0 DDAERO CC[NH2+][C@@](C)(CSc1ccc(Br)cn1)C(N)=O ZINC000083733142 192379265 /nfs/dbraw/zinc/37/92/65/192379265.db2.gz UIBGPMUUDISZHM-NSHDSACASA-N 1 0 318.240 1.790 10 0 DDAERO CC(C)[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCCS(C)(=O)=O ZINC000071347000 190960861 /nfs/dbraw/zinc/96/08/61/190960861.db2.gz YIDDJBAUQWFFGH-ZIAGYGMSSA-N 1 0 304.500 1.766 10 0 DDAERO CCN(c1ccc(S(N)(=O)=O)cc1F)[C@H]1CCC[NH2+]C1 ZINC000071391252 190965887 /nfs/dbraw/zinc/96/58/87/190965887.db2.gz BJBQRSLTYXGXOF-JTQLQIEISA-N 1 0 301.387 1.051 10 0 DDAERO CC(C)(C)c1ccc2c(c1)[C@@H](C[NH3+])N([C@@H]1CCS(=O)(=O)C1)C2 ZINC000071683791 191006456 /nfs/dbraw/zinc/00/64/56/191006456.db2.gz FUVPEXBYWPMVLP-GDBMZVCRSA-N 1 0 322.474 1.987 10 0 DDAERO CCOc1cccc(CCNC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000155710444 186105810 /nfs/dbraw/zinc/10/58/10/186105810.db2.gz IQLPSNRACJUNTM-HNNXBMFYSA-N 1 0 305.422 1.973 10 0 DDAERO CCC(CC)(CO)CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262850192 186313103 /nfs/dbraw/zinc/31/31/03/186313103.db2.gz VDVLYECQMPZXSP-ZDUSSCGKSA-N 1 0 308.426 1.336 10 0 DDAERO CN(C)C(=O)c1ccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000171887008 198001364 /nfs/dbraw/zinc/00/13/64/198001364.db2.gz DXOLYMXIMNNCJT-HNNXBMFYSA-N 1 0 316.405 1.700 10 0 DDAERO NC(=O)c1ccc(F)c(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000171890811 198002214 /nfs/dbraw/zinc/00/22/14/198002214.db2.gz NYRUZJAVIUYHOE-NSHDSACASA-N 1 0 306.341 1.237 10 0 DDAERO Cc1cc(C)n(CCCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000171897538 198004485 /nfs/dbraw/zinc/00/44/85/198004485.db2.gz PBADOSDMPCKKAK-OAHLLOKOSA-N 1 0 305.426 1.380 10 0 DDAERO COc1ccc(C[NH2+][C@H]2CCOC[C@H]2O)c(Cl)c1OC ZINC000623764396 366042601 /nfs/dbraw/zinc/04/26/01/366042601.db2.gz DLMXYBXYDYLTKH-WDEREUQCSA-N 1 0 301.770 1.597 10 0 DDAERO CC[C@H]([NH2+]C)c1cccc(S(=O)(=O)NCc2ncc[nH]2)c1 ZINC000080627655 192176202 /nfs/dbraw/zinc/17/62/02/192176202.db2.gz KBNDWNFBIPHGOB-ZDUSSCGKSA-N 1 0 308.407 1.559 10 0 DDAERO Cc1ccc(N2CCC[C@@H]([NH2+]C[C@H]3CN(C)CCO3)C2=O)cc1 ZINC000174083818 198289196 /nfs/dbraw/zinc/28/91/96/198289196.db2.gz FQNSPSYKUYYTBG-DLBZAZTESA-N 1 0 317.433 1.411 10 0 DDAERO Cc1cnn(CCNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000174270295 198312806 /nfs/dbraw/zinc/31/28/06/198312806.db2.gz USAJZFYSMXVPBJ-OAHLLOKOSA-N 1 0 305.426 1.319 10 0 DDAERO COc1cccc(CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)n1 ZINC000129244685 354079685 /nfs/dbraw/zinc/07/96/85/354079685.db2.gz DMSUZHNRFLUGMM-CQSZACIVSA-N 1 0 308.426 1.866 10 0 DDAERO CN(Cc1ccc(Cl)cc1)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129648709 354083680 /nfs/dbraw/zinc/08/36/80/354083680.db2.gz SBBZNKJBKJZFOB-UHFFFAOYSA-N 1 0 309.841 1.982 10 0 DDAERO CC[C@H](O)[C@@H]1CC=C[C@@H]2CC(=O)NCCCC[NH2+]CCC[N@@H+]21 ZINC000004098794 181072513 /nfs/dbraw/zinc/07/25/13/181072513.db2.gz YBZUGUWOQLUNKD-PMPSAXMXSA-N 1 0 309.454 1.036 10 0 biogenic,in-vitro DDAERO CCOCC[N@@H+]1CCN(C(=O)NC[C@H](C)COC)C[C@@H]1CC ZINC000246747743 354361930 /nfs/dbraw/zinc/36/19/30/354361930.db2.gz LIWZQMIVYDFSEL-GJZGRUSLSA-N 1 0 315.458 1.411 10 0 DDAERO CCc1ncnc(N2CCO[C@@H](C[N@H+](C)CC3CC3)C2)c1F ZINC000328641108 354556762 /nfs/dbraw/zinc/55/67/62/354556762.db2.gz QIIIMQHOJPCHIT-ZDUSSCGKSA-N 1 0 308.401 1.725 10 0 DDAERO CN1c2ccc(CC(=O)NCCC[NH+](C)C)cc2CCC1=O ZINC000074961784 191396623 /nfs/dbraw/zinc/39/66/23/191396623.db2.gz ORRVTNQMXMTRAW-UHFFFAOYSA-N 1 0 303.406 1.206 10 0 DDAERO CN(c1cccc(C(N)=[NH2+])c1)S(=O)(=O)c1cccc(F)c1 ZINC000079784172 191972536 /nfs/dbraw/zinc/97/25/36/191972536.db2.gz GYHVBXNQZCCKAW-UHFFFAOYSA-N 1 0 307.350 1.935 10 0 DDAERO NC(=[NH2+])c1ccc(NS(=O)(=O)CCc2ccccn2)cc1 ZINC000079782698 191972616 /nfs/dbraw/zinc/97/26/16/191972616.db2.gz UOFNEVIUHLFZDB-UHFFFAOYSA-N 1 0 304.375 1.350 10 0 DDAERO Cc1n[nH]c(C)c1S(=O)(=O)N(C)c1cccc(C(N)=[NH2+])c1 ZINC000079784121 191972793 /nfs/dbraw/zinc/97/27/93/191972793.db2.gz KADHRMVANQHRGG-UHFFFAOYSA-N 1 0 307.379 1.136 10 0 DDAERO C[C@@H]1CCCN(S(=O)(=O)N(CC(N)=[NH2+])C2CCCC2)C1 ZINC000080224445 192013302 /nfs/dbraw/zinc/01/33/02/192013302.db2.gz ZWDSEKBGMBLWCV-LLVKDONJSA-N 1 0 302.444 1.144 10 0 DDAERO Cc1csc([C@@H](C)NS(=O)(=O)C[C@H]2CCCC[NH2+]2)n1 ZINC000080315485 192022927 /nfs/dbraw/zinc/02/29/27/192022927.db2.gz YIJVBMKFNOHGDI-GHMZBOCLSA-N 1 0 303.453 1.574 10 0 DDAERO CC[NH2+][C@H](C)CCCN1CCn2c(nnc2C(F)(F)F)C1 ZINC000081533848 192284248 /nfs/dbraw/zinc/28/42/48/192284248.db2.gz BWFULAUGXVBDBO-SNVBAGLBSA-N 1 0 305.348 1.891 10 0 DDAERO CCN(C[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1)CC(F)(F)F ZINC000236893933 202057052 /nfs/dbraw/zinc/05/70/52/202057052.db2.gz MJEZOIDXOCHGPI-YNEHKIRRSA-N 1 0 321.387 1.847 10 0 DDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(OCC(=O)N(C)C)c1 ZINC000236901355 202061421 /nfs/dbraw/zinc/06/14/21/202061421.db2.gz GZPIPUQGBYZWLW-XHDPSFHLSA-N 1 0 307.394 1.466 10 0 DDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(N2C(=O)CCC2=O)c(C)c1 ZINC000236907413 202065437 /nfs/dbraw/zinc/06/54/37/202065437.db2.gz GTEGHHNEBKOMRR-MGPLVRAMSA-N 1 0 317.389 1.960 10 0 DDAERO C[NH2+][C@@H](CCO)CS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000085923690 192539584 /nfs/dbraw/zinc/53/95/84/192539584.db2.gz CQJRVHKMUQEZFS-VIFPVBQESA-N 1 0 312.218 1.738 10 0 DDAERO CC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1C1CCS(=O)(=O)CC1 ZINC000086218894 192555273 /nfs/dbraw/zinc/55/52/73/192555273.db2.gz WARWVEZNBIFVGV-TZMCWYRMSA-N 1 0 302.484 1.662 10 0 DDAERO C[NH2+]CCNC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000237076663 202144140 /nfs/dbraw/zinc/14/41/40/202144140.db2.gz SKQMKAIVAZTDHR-CYBMUJFWSA-N 1 0 311.813 1.430 10 0 DDAERO C[C@H](CO)C[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000086631678 192586316 /nfs/dbraw/zinc/58/63/16/192586316.db2.gz NNVQEFDUDSCUPB-VIFPVBQESA-N 1 0 301.184 1.606 10 0 DDAERO COCC[NH2+]CC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000237225964 202195456 /nfs/dbraw/zinc/19/54/56/202195456.db2.gz CAHGLDWLKLVYII-CYBMUJFWSA-N 1 0 302.378 1.286 10 0 DDAERO C[NH2+]Cc1ccc(CS(=O)(=O)N2CCC(OC)CC2)cc1 ZINC000088954840 192667650 /nfs/dbraw/zinc/66/76/50/192667650.db2.gz QIYKHMQOQBZZLM-UHFFFAOYSA-N 1 0 312.435 1.347 10 0 DDAERO COc1ccc(S(=O)(=O)N(C)[C@H](C)C2CC2)c(CC[NH3+])c1 ZINC000088962199 192671018 /nfs/dbraw/zinc/67/10/18/192671018.db2.gz IYVYQSZKUKKCNX-LLVKDONJSA-N 1 0 312.435 1.615 10 0 DDAERO CCN(CCOC)S(=O)(=O)c1ccc(OCCC[NH3+])cc1 ZINC000088996356 192687671 /nfs/dbraw/zinc/68/76/71/192687671.db2.gz KLUVDVXAPZDQAG-UHFFFAOYSA-N 1 0 316.423 1.071 10 0 DDAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCCC2(C1)OCCO2 ZINC000179427444 199033583 /nfs/dbraw/zinc/03/35/83/199033583.db2.gz UUFXVEOGGVOLFN-INIZCTEOSA-N 1 0 318.417 1.525 10 0 DDAERO CCCO[C@@H]1CCCN(S(=O)(=O)c2ccsc2C[NH3+])C1 ZINC000089003803 192692685 /nfs/dbraw/zinc/69/26/85/192692685.db2.gz BIIWAHFFZNCHHC-LLVKDONJSA-N 1 0 318.464 1.787 10 0 DDAERO CCC[NH2+]C[C@H](C)S(=O)(=O)N(CC(F)(F)F)C1CC1 ZINC000089008760 192694672 /nfs/dbraw/zinc/69/46/72/192694672.db2.gz KFKCWERMCJSJJL-VIFPVBQESA-N 1 0 302.362 1.731 10 0 DDAERO C[NH2+]CCCOc1ccc(S(=O)(=O)N[C@H]2CC2(C)C)cc1 ZINC000089014488 192698362 /nfs/dbraw/zinc/69/83/62/192698362.db2.gz NAOJDYHONLYYRV-AWEZNQCLSA-N 1 0 312.435 1.752 10 0 DDAERO CCNC(=O)[C@@H]1C[NH2+]CCN1c1ncccc1C(F)(F)F ZINC000089090476 192723697 /nfs/dbraw/zinc/72/36/97/192723697.db2.gz KKDHAOAGXUNYDT-JTQLQIEISA-N 1 0 302.300 1.015 10 0 DDAERO CN(c1ccc(S(N)(=O)=O)cc1F)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089133484 192732066 /nfs/dbraw/zinc/73/20/66/192732066.db2.gz VFBFXEOTPGWMLU-MFKMUULPSA-N 1 0 315.414 1.427 10 0 DDAERO CCn1nc(C)c(Br)c1C[NH2+]C[C@@H](O)COC ZINC000089278025 192756946 /nfs/dbraw/zinc/75/69/46/192756946.db2.gz MWZFIIITNPAGCX-SECBINFHSA-N 1 0 306.204 1.071 10 0 DDAERO CC(C)[NH2+]CC1(CN2CCS(=O)(=O)CC2)CCC(C)CC1 ZINC000089580612 192820621 /nfs/dbraw/zinc/82/06/21/192820621.db2.gz QJBBZALNYNZPGL-UHFFFAOYSA-N 1 0 316.511 1.911 10 0 DDAERO COCC[NH2+]C[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000089556854 192816265 /nfs/dbraw/zinc/81/62/65/192816265.db2.gz OAQSQDPFLFYIBE-LBPRGKRZSA-N 1 0 300.424 1.276 10 0 DDAERO [NH3+]CCn1cc(C(=O)Nc2ccc(Br)cc2)nn1 ZINC000089698269 192845148 /nfs/dbraw/zinc/84/51/48/192845148.db2.gz QXRSTAWMINEODD-UHFFFAOYSA-N 1 0 310.155 1.252 10 0 DDAERO CSC[C@@H](O)C[NH+]1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000187878271 200170272 /nfs/dbraw/zinc/17/02/72/200170272.db2.gz LLTVTDIRLKIJTB-HOTGVXAUSA-N 1 0 310.463 1.062 10 0 DDAERO C[C@]1(C(=O)Nc2ccc(N3CCNC3=O)cc2)CCC[NH2+]C1 ZINC000237611455 202304652 /nfs/dbraw/zinc/30/46/52/202304652.db2.gz ATFWPTNKBBRBOY-INIZCTEOSA-N 1 0 302.378 1.544 10 0 DDAERO O[C@@H](CNCc1nccn1-c1ccccc1)C[NH+]1CCCCC1 ZINC000190855532 200595039 /nfs/dbraw/zinc/59/50/39/200595039.db2.gz RFHILNGLYBSMFG-KRWDZBQOSA-N 1 0 314.433 1.809 10 0 DDAERO CC(C)COc1cncc(N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)n1 ZINC000192800752 200943484 /nfs/dbraw/zinc/94/34/84/200943484.db2.gz YYNDZTLMNYJPHU-UONOGXRCSA-N 1 0 308.426 1.403 10 0 DDAERO Cc1cc(Br)ccc1S(=O)(=O)NCC[C@@H](C)[NH3+] ZINC000193252828 201013758 /nfs/dbraw/zinc/01/37/58/201013758.db2.gz HTXWNOZTQTXPGX-SECBINFHSA-N 1 0 321.240 1.773 10 0 DDAERO Cc1sc(C[NH3+])cc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090921330 192945518 /nfs/dbraw/zinc/94/55/18/192945518.db2.gz LVHULPPGUUVTPP-AOOOYVTPSA-N 1 0 302.421 1.067 10 0 DDAERO CCS(=O)(=O)[C@H]1CSCCN1CCCC(C)(C)CC[NH3+] ZINC000090929422 192951819 /nfs/dbraw/zinc/95/18/19/192951819.db2.gz QCAINZXHCOZUAB-ZDUSSCGKSA-N 1 0 322.540 1.951 10 0 DDAERO NC(=O)Nc1cccc(NC(=O)c2csc(CC[NH3+])n2)c1 ZINC000090948651 192962391 /nfs/dbraw/zinc/96/23/91/192962391.db2.gz OEPWUAWAWSHGHO-UHFFFAOYSA-N 1 0 305.363 1.387 10 0 DDAERO CC[NH2+]Cc1cnn([C@@H]2CCS(=O)(=O)C2)c1C(F)(F)F ZINC000091336150 193043565 /nfs/dbraw/zinc/04/35/65/193043565.db2.gz BPJVJJPOHFXMHI-SECBINFHSA-N 1 0 311.329 1.371 10 0 DDAERO COc1ccc([C@@H](C)NC(=O)C2C[NH2+]C2)cc1Br ZINC000091408250 193051864 /nfs/dbraw/zinc/05/18/64/193051864.db2.gz HSHZJKKWVGJFPP-MRVPVSSYSA-N 1 0 313.195 1.854 10 0 DDAERO Nc1ccc2c(c1)[nH]cc2S(=O)(=O)NCC[NH+]1CCCC1 ZINC000091499704 193065145 /nfs/dbraw/zinc/06/51/45/193065145.db2.gz BFZFZSZMROLANT-UHFFFAOYSA-N 1 0 308.407 1.124 10 0 DDAERO CS(=O)(=O)c1ccc(-c2csc([C@@H]3C[NH2+]CCO3)n2)cc1 ZINC000091499639 193065169 /nfs/dbraw/zinc/06/51/69/193065169.db2.gz ZHQZEBUKXASOTJ-ZDUSSCGKSA-N 1 0 324.427 1.875 10 0 DDAERO CCc1nn(C)c(CC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1Cl ZINC000091714165 193096317 /nfs/dbraw/zinc/09/63/17/193096317.db2.gz NEVSVKKHFGNZRD-QMTHXVAHSA-N 1 0 311.813 1.611 10 0 DDAERO CCN(C1CCC([NH3+])CC1)S(=O)(=O)Cc1cc(C)on1 ZINC000091850543 193117597 /nfs/dbraw/zinc/11/75/97/193117597.db2.gz PTWRKNKUASTMCO-UHFFFAOYSA-N 1 0 301.412 1.405 10 0 DDAERO CCN(C1CCC([NH3+])CC1)S(=O)(=O)N1CCCC[C@@H]1C ZINC000091850624 193117991 /nfs/dbraw/zinc/11/79/91/193117991.db2.gz LMRBUWVBVBAKLM-HSBZDZAISA-N 1 0 303.472 1.697 10 0 DDAERO C[NH2+]C1CCC(N(C)C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000091873673 193121141 /nfs/dbraw/zinc/12/11/41/193121141.db2.gz LXZJBIBMAAAFKF-UHFFFAOYSA-N 1 0 307.419 1.598 10 0 DDAERO C[C@H](NC(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1)c1nnc2n1CCC2 ZINC000359220639 299362191 /nfs/dbraw/zinc/36/21/91/299362191.db2.gz FWBMTOVGNGJGAZ-QJPTWQEYSA-N 1 0 306.414 1.067 10 0 DDAERO C[NH2+]Cc1c(C)oc(C)c1S(=O)(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000092113464 193161125 /nfs/dbraw/zinc/16/11/25/193161125.db2.gz NEMBSGFDOFMSDE-NXEZZACHSA-N 1 0 300.424 1.892 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)NCc2cccs2)c(F)c1 ZINC000092115760 193163144 /nfs/dbraw/zinc/16/31/44/193163144.db2.gz CUZBMZUKQCXZRM-UHFFFAOYSA-N 1 0 300.380 1.824 10 0 DDAERO CCCN(CC[NH+](C)C)S(=O)(=O)c1ccc(CO)cc1F ZINC000092115324 193163646 /nfs/dbraw/zinc/16/36/46/193163646.db2.gz SYFRCIKJGQCLLZ-UHFFFAOYSA-N 1 0 318.414 1.280 10 0 DDAERO CC[C@H]([NH2+]C)c1cccc(S(=O)(=O)N(C)CC(C)(C)O)c1 ZINC000092984448 193191199 /nfs/dbraw/zinc/19/11/99/193191199.db2.gz HNFGOTJMUYLAMR-AWEZNQCLSA-N 1 0 314.451 1.749 10 0 DDAERO COc1ccc([C@H](C)NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1OC ZINC000261628717 203083375 /nfs/dbraw/zinc/08/33/75/203083375.db2.gz CSTLFMKFXRCNCM-SUHUHFCYSA-N 1 0 308.378 1.387 10 0 DDAERO COc1ccccc1CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261959122 203162135 /nfs/dbraw/zinc/16/21/35/203162135.db2.gz PHJYSSZVGFYNBZ-CABCVRRESA-N 1 0 314.389 1.048 10 0 DDAERO CC(C)[C@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)CCS1 ZINC000262039869 203181161 /nfs/dbraw/zinc/18/11/61/203181161.db2.gz YKISGSJMJXLGLH-QLFBSQMISA-N 1 0 322.478 1.323 10 0 DDAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)CCc1ccco1 ZINC000262365108 203273605 /nfs/dbraw/zinc/27/36/05/203273605.db2.gz KXXZUFLIJGSIAF-UHFFFAOYSA-N 1 0 303.366 1.446 10 0 DDAERO O=C(Nc1cccc(C2SCCS2)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262420059 203289397 /nfs/dbraw/zinc/28/93/97/203289397.db2.gz AQTOWFFRVCURTO-NEPJUHHUSA-N 1 0 310.444 1.827 10 0 DDAERO C[C@H](CNc1ccc(S(N)(=O)=O)c(N)c1)[NH+]1CCCCC1 ZINC000093198870 193215645 /nfs/dbraw/zinc/21/56/45/193215645.db2.gz ZJIZAGMBBBKUEP-LLVKDONJSA-N 1 0 312.439 1.203 10 0 DDAERO [NH3+]CCOCC(=O)Nc1c2nsnc2c(Cl)cc1Cl ZINC000093231042 193219735 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CC(C)C[C@@](C)(O)C[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697152 193292824 /nfs/dbraw/zinc/29/28/24/193292824.db2.gz FJNQVGKRYRTWQX-UONOGXRCSA-N 1 0 306.472 1.045 10 0 DDAERO CCC[NH2+]Cc1ccn(C[C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000093698543 193292947 /nfs/dbraw/zinc/29/29/47/193292947.db2.gz RRHOXBQTGXDKES-HNNXBMFYSA-N 1 0 313.467 1.659 10 0 DDAERO Cc1nc(C[C@@H]([NH3+])C[C@@H]2CCCN(S(C)(=O)=O)C2)cs1 ZINC000093700260 193293961 /nfs/dbraw/zinc/29/39/61/193293961.db2.gz HQBSRJYEJIXIHA-RYUDHWBXSA-N 1 0 317.480 1.383 10 0 DDAERO CCC[NH2+][C@H](CCCOC)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700416 193294056 /nfs/dbraw/zinc/29/40/56/193294056.db2.gz XXMZVUKPJXKDTB-HUUCEWRRSA-N 1 0 320.499 1.843 10 0 DDAERO CCC[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)OC ZINC000093700802 193294943 /nfs/dbraw/zinc/29/49/43/193294943.db2.gz XFEKTCWVGQSXRX-ZIAGYGMSSA-N 1 0 320.499 1.841 10 0 DDAERO CCC[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCOC1 ZINC000093700560 193295057 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193376436 /nfs/dbraw/zinc/37/64/36/193376436.db2.gz PEUYPTGMYCXFTM-CJNGLKHVSA-N 1 0 308.447 1.683 10 0 DDAERO CN(Cc1ccc(Br)o1)C(=O)[C@H]1CC[C@@H](C[NH3+])O1 ZINC000094568861 193380928 /nfs/dbraw/zinc/38/09/28/193380928.db2.gz NEIPBJGUIDDGIX-WCBMZHEXSA-N 1 0 317.183 1.507 10 0 DDAERO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2cc3c(cc2Cl)NC(=O)C3)O1 ZINC000094566295 193381082 /nfs/dbraw/zinc/38/10/82/193381082.db2.gz UDZUZVCWDRMMCM-PELKAZGASA-N 1 0 309.753 1.279 10 0 DDAERO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2c3nsnc3ccc2Cl)O1 ZINC000094572772 193381275 /nfs/dbraw/zinc/38/12/75/193381275.db2.gz WUKGLWSHKFPJHY-MUWHJKNJSA-N 1 0 312.782 1.790 10 0 DDAERO C[C@@H]1CN(c2nc3ccc(Br)cn3n2)[C@@H](C)C[NH2+]1 ZINC000094608591 193384489 /nfs/dbraw/zinc/38/44/89/193384489.db2.gz QKCVEVDVRYEEPF-BDAKNGLRSA-N 1 0 310.199 1.678 10 0 DDAERO CCC[NH2+][C@@H]1CCOC[C@@H]1S(=O)(=O)c1cccc(F)c1 ZINC000094625099 193385050 /nfs/dbraw/zinc/38/50/50/193385050.db2.gz RTXHZJWMVFPUPN-KGLIPLIRSA-N 1 0 301.383 1.757 10 0 DDAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)NCc1sccc1C ZINC000094886744 193405134 /nfs/dbraw/zinc/40/51/34/193405134.db2.gz ZMCAZKNCTYFLJH-GFCCVEGCSA-N 1 0 317.480 1.465 10 0 DDAERO [NH3+]C[C@@H](Cc1ccccc1)N1CCN(c2nccs2)CC1 ZINC000019995924 182175613 /nfs/dbraw/zinc/17/56/13/182175613.db2.gz BWYBGQHWFQPRBW-OAHLLOKOSA-N 1 0 302.447 1.835 10 0 DDAERO OCc1ccc(CN2CCC[C@H]([NH+]3CCC(CO)CC3)C2)o1 ZINC000020255969 182200243 /nfs/dbraw/zinc/20/02/43/182200243.db2.gz RBMPKOCDJWULGA-HNNXBMFYSA-N 1 0 308.422 1.441 10 0 DDAERO CC[NH+]1CCN(CCC(=O)Nc2cc(Cl)ccc2N)CC1 ZINC000020560184 182232773 /nfs/dbraw/zinc/23/27/73/182232773.db2.gz JIQLTFVHRVXDMZ-UHFFFAOYSA-N 1 0 310.829 1.888 10 0 DDAERO COCC[NH2+]Cc1cc(Br)ccc1OCC(N)=O ZINC000020873125 182250828 /nfs/dbraw/zinc/25/08/28/182250828.db2.gz LNNPUXUQTYDAAK-UHFFFAOYSA-N 1 0 317.183 1.049 10 0 DDAERO CSc1cccc(NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)c1 ZINC000021060056 182264258 /nfs/dbraw/zinc/26/42/58/182264258.db2.gz CQJBCAHZTWGSCU-LLVKDONJSA-N 1 0 302.421 1.109 10 0 DDAERO CC[NH+](CC)CCNC(=O)[C@H](C)Oc1ccc2c(c1)OCO2 ZINC000027974579 182500858 /nfs/dbraw/zinc/50/08/58/182500858.db2.gz UAKLZQBOVDIDLT-LBPRGKRZSA-N 1 0 308.378 1.641 10 0 DDAERO CC(C)[N@H+]1C[C@H](NC(=O)NCCCNc2ccccn2)[C@@H](C)C1 ZINC000121056853 248266069 /nfs/dbraw/zinc/26/60/69/248266069.db2.gz OGYCGBJHYFTLBN-GJZGRUSLSA-N 1 0 319.453 1.912 10 0 DDAERO COc1ccc(C[NH2+]CCCC(N)=O)cc1Br ZINC000037659445 182918516 /nfs/dbraw/zinc/91/85/16/182918516.db2.gz FXMGIYYVBLSKRH-UHFFFAOYSA-N 1 0 301.184 1.813 10 0 DDAERO Cc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CC[NH2+]CC2)s1 ZINC000040508308 183086068 /nfs/dbraw/zinc/08/60/68/183086068.db2.gz FOTYIWVRCVBCRQ-LBPRGKRZSA-N 1 0 307.419 1.093 10 0 DDAERO COc1cc(OC)c(NC(=O)[C@@H]2C[C@@H](OC)C[NH2+]2)cc1Cl ZINC000040630209 183110797 /nfs/dbraw/zinc/11/07/97/183110797.db2.gz UZXYBWNQZBLUDA-KCJUWKMLSA-N 1 0 314.769 1.673 10 0 DDAERO CC(C)[NH2+]CCCC(=O)Nc1cccc(NS(C)(=O)=O)c1 ZINC000040831743 183139029 /nfs/dbraw/zinc/13/90/29/183139029.db2.gz BLXJAHIJBJRYRC-UHFFFAOYSA-N 1 0 313.423 1.775 10 0 DDAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)N[C@@H]2CCCN(C)C2)cc1 ZINC000040716241 183123105 /nfs/dbraw/zinc/12/31/05/183123105.db2.gz YWRMHXJCWHZFIU-TZMCWYRMSA-N 1 0 311.451 1.340 10 0 DDAERO CC1CC[NH+](CCNS(=O)(=O)c2ccc(F)cc2N)CC1 ZINC000040771111 183131323 /nfs/dbraw/zinc/13/13/23/183131323.db2.gz FPYGEQKNJKTUSN-UHFFFAOYSA-N 1 0 315.414 1.418 10 0 DDAERO CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)NCCC(=O)OC)c1 ZINC000041041304 183158833 /nfs/dbraw/zinc/15/88/33/183158833.db2.gz ZJVWBKHVXCCVQB-NSHDSACASA-N 1 0 314.407 1.199 10 0 DDAERO CC(C)[N@H+](C)CCCCNC(=O)C1(C(N)=S)CCOCC1 ZINC000041680885 183216368 /nfs/dbraw/zinc/21/63/68/183216368.db2.gz ZMCWFBLGYUEKBU-UHFFFAOYSA-N 1 0 315.483 1.306 10 0 DDAERO CCCO[C@H]1CCC[N@H+](CC(=O)N(C)CCC(N)=S)C1 ZINC000042422412 183267535 /nfs/dbraw/zinc/26/75/35/183267535.db2.gz SMXZKCNYUZCDLO-LBPRGKRZSA-N 1 0 301.456 1.012 10 0 DDAERO CCO[C@@H]1CCC[N@H+](CCC(=O)N(C)CCC(N)=S)C1 ZINC000042422441 183267953 /nfs/dbraw/zinc/26/79/53/183267953.db2.gz ZSKRWBOKHKNCHI-GFCCVEGCSA-N 1 0 301.456 1.012 10 0 DDAERO CN(Cc1ccc(Br)cc1)C[C@H](O)C[NH2+]C1CC1 ZINC000042439960 183270040 /nfs/dbraw/zinc/27/00/40/183270040.db2.gz QEQIITJWXHNMNK-CQSZACIVSA-N 1 0 313.239 1.994 10 0 DDAERO CCN(C[C@@H](C)C[NH3+])S(=O)(=O)c1c(F)cc(F)cc1F ZINC000042441809 183271062 /nfs/dbraw/zinc/27/10/62/183271062.db2.gz YPSVMHBATBYDNN-QMMMGPOBSA-N 1 0 310.341 1.709 10 0 DDAERO COC[C@@H](O)CN(C)c1cc(Br)ccc1C[NH3+] ZINC000042511578 183278491 /nfs/dbraw/zinc/27/84/91/183278491.db2.gz NZDGSUNUZROMNJ-NSHDSACASA-N 1 0 303.200 1.351 10 0 DDAERO CCC(CC)N(CCO)S(=O)(=O)c1ccc(C[NH2+]C)cc1 ZINC000042526691 183280371 /nfs/dbraw/zinc/28/03/71/183280371.db2.gz DNXBKCLCHIMVQI-UHFFFAOYSA-N 1 0 314.451 1.578 10 0 DDAERO CCCCN([C@@H](C)CC)S(=O)(=O)c1cc[nH+]c(NN)c1 ZINC000042611300 183291176 /nfs/dbraw/zinc/29/11/76/183291176.db2.gz LWJKWNBGPSSFHO-NSHDSACASA-N 1 0 300.428 1.957 10 0 DDAERO CCC(CC)N(CCOC)S(=O)(=O)c1cc[nH+]c(NN)c1 ZINC000042689695 183296111 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300.103 1.331 10 0 DDAERO COc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]C2COC2)C3)cc1 ZINC000096296286 407259160 /nfs/dbraw/zinc/25/91/60/407259160.db2.gz OWJRXVWYUNSHJT-HNNXBMFYSA-N 1 0 315.373 1.446 10 0 DDAERO CC[C@](C)(O)C[NH+]1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000123274731 407324169 /nfs/dbraw/zinc/32/41/69/407324169.db2.gz ZYYLVCSTHYWKHH-SFHVURJKSA-N 1 0 319.449 1.081 10 0 DDAERO CCN(CC)C(=O)[C@H]1CCCN(c2cc(C[NH3+])nc(C)n2)C1 ZINC000067869204 407288261 /nfs/dbraw/zinc/28/82/61/407288261.db2.gz KSXDFGIZGBFYBO-ZDUSSCGKSA-N 1 0 305.426 1.329 10 0 DDAERO C[NH+](C)C[C@@H](NC(=O)CCOC[C@@H]1CCCO1)c1ccccc1 ZINC000097326820 407291546 /nfs/dbraw/zinc/29/15/46/407291546.db2.gz PMSRXKPIDCAICS-DLBZAZTESA-N 1 0 320.433 1.991 10 0 DDAERO CCCC(=O)N[C@@H]1CCCN(CC(=O)NCc2ccccc2)C1 ZINC000101565475 407311483 /nfs/dbraw/zinc/31/14/83/407311483.db2.gz FITZROPHNNVOLM-MRXNPFEDSA-N 1 0 317.433 1.684 10 0 DDAERO CCCC[C@H](C(=O)OC)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000105912551 407357140 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DDAERO COc1ccc(Cl)cc1-c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263171318 408045424 /nfs/dbraw/zinc/04/54/24/408045424.db2.gz FTRFAEGJGVCAGO-LLVKDONJSA-N 1 0 308.769 1.975 10 0 DDAERO C[C@@H]1C[N@H+](Cc2cnn3ccccc23)C[C@H]1N1CCOCC1 ZINC000245715195 408050629 /nfs/dbraw/zinc/05/06/29/408050629.db2.gz GTYHHYCNRLNYRM-RHSMWYFYSA-N 1 0 300.406 1.487 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000174873055 407997396 /nfs/dbraw/zinc/99/73/96/407997396.db2.gz DBBFKUUKRUAJCQ-GFCCVEGCSA-N 1 0 315.381 1.268 10 0 DDAERO CCc1ncc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)cn1 ZINC000119165548 408004362 /nfs/dbraw/zinc/00/43/62/408004362.db2.gz LYSXVDTZQOQPDB-ZDUSSCGKSA-N 1 0 307.398 1.007 10 0 DDAERO CC[C@@H]1CN(Cc2cc(OC)cc(OC)c2)CC[N@@H+]1C[C@H](C)O ZINC000245754845 408059393 /nfs/dbraw/zinc/05/93/93/408059393.db2.gz OKYSNHCHMLQRSY-GOEBONIOSA-N 1 0 322.449 1.981 10 0 DDAERO CC(C)(C)OC[C@H](O)C[NH2+][C@@H](CC(N)=O)C1CCCCC1 ZINC000181983174 408060493 /nfs/dbraw/zinc/06/04/93/408060493.db2.gz RZZIAHFCYYNDGW-KGLIPLIRSA-N 1 0 300.443 1.576 10 0 DDAERO CN1CC[NH2+]C[C@@H]1c1noc(CSCc2ccccn2)n1 ZINC000263223576 408065673 /nfs/dbraw/zinc/06/56/73/408065673.db2.gz MITXHMPFTXDJQS-GFCCVEGCSA-N 1 0 305.407 1.474 10 0 DDAERO CC[C@@H]1CN(c2ncnc(Cl)c2NC)CC[N@@H+]1C[C@@H](C)O ZINC000136041752 408070072 /nfs/dbraw/zinc/07/00/72/408070072.db2.gz SPBNHQHWSNXAIO-GHMZBOCLSA-N 1 0 313.833 1.453 10 0 DDAERO CNc1c(Cl)ncnc1NC[C@@H](c1cnn(C)c1)[NH+](C)C ZINC000136048045 408071769 /nfs/dbraw/zinc/07/17/69/408071769.db2.gz LQSHMVQLBLCKPW-JTQLQIEISA-N 1 0 309.805 1.620 10 0 DDAERO Cc1nn(-c2ccc(Cl)cc2)cc1CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000263253716 408075256 /nfs/dbraw/zinc/07/52/56/408075256.db2.gz QGTCZFAJAKJGRL-MLGOLLRUSA-N 1 0 320.824 1.504 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(Cc2cn(C)nc2C(C)(C)C)C[C@@H]1C ZINC000245862952 408083547 /nfs/dbraw/zinc/08/35/47/408083547.db2.gz PKKLDBNNXWESMF-KBPBESRZSA-N 1 0 308.470 1.605 10 0 DDAERO CCC[C@H](C(=O)NCCCNC(=O)c1ccc(F)cc1)[NH+](C)C ZINC000154850764 408094729 /nfs/dbraw/zinc/09/47/29/408094729.db2.gz UNEONHZKZVMGIY-OAHLLOKOSA-N 1 0 323.412 1.792 10 0 DDAERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccc(-n3ccnc3)cc2)n1 ZINC000263311417 408100356 /nfs/dbraw/zinc/10/03/56/408100356.db2.gz YUMULGYRIPVEFK-AWEZNQCLSA-N 1 0 310.361 1.498 10 0 DDAERO CN1CC[NH2+]C[C@H]1c1noc(COc2ccccc2Cl)n1 ZINC000263307477 408101431 /nfs/dbraw/zinc/10/14/31/408101431.db2.gz YBNNALASONIBJM-NSHDSACASA-N 1 0 308.769 1.878 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cnc(N(C)C)nc1 ZINC000154916676 408103121 /nfs/dbraw/zinc/10/31/21/408103121.db2.gz NSWGHJYWDXFZPH-ZDUSSCGKSA-N 1 0 306.414 1.491 10 0 DDAERO Cc1ccc(OCCc2nc([C@H]3C[NH2+]CCN3C)no2)cc1C ZINC000263196343 408054288 /nfs/dbraw/zinc/05/42/88/408054288.db2.gz IKTHNTXSTAPAEV-OAHLLOKOSA-N 1 0 316.405 1.884 10 0 DDAERO Cc1nn(C)c(C)c1OCC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000246130345 408148942 /nfs/dbraw/zinc/14/89/42/408148942.db2.gz UYGHZSJMLUQMIN-BXUZGUMPSA-N 1 0 306.410 1.111 10 0 DDAERO CC(C)(C)OC[C@H](O)C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000175599270 408169529 /nfs/dbraw/zinc/16/95/29/408169529.db2.gz CVTJDEZDCKMBDJ-ZBFHGGJFSA-N 1 0 315.454 1.822 10 0 DDAERO C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000121378828 408196030 /nfs/dbraw/zinc/19/60/30/408196030.db2.gz RXICYAPHCFIBAF-XIRDDKMYSA-N 1 0 320.433 1.990 10 0 DDAERO Cc1cccn2c(=O)cc(CN3CC[N@@H+]4CCCC[C@H]4C3)nc12 ZINC000246225881 408184678 /nfs/dbraw/zinc/18/46/78/408184678.db2.gz RCGZKQCMKKLKJP-INIZCTEOSA-N 1 0 312.417 1.673 10 0 DDAERO COC(=O)c1ccc(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1F ZINC000151052673 408247178 /nfs/dbraw/zinc/24/71/78/408247178.db2.gz ZKMOODUMAHACBI-CHWSQXEVSA-N 1 0 324.396 1.499 10 0 DDAERO COCC[N@@H+]1CCN(Cc2ccc(C(=O)OC)c(F)c2)C[C@@H]1C ZINC000151055504 408248617 /nfs/dbraw/zinc/24/86/17/408248617.db2.gz GZJJZRVNJKKIPT-ZDUSSCGKSA-N 1 0 324.396 1.765 10 0 DDAERO COC(C)(C)C[C@H](C)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000175967997 408253182 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CO[C@@H]1CN(Cc2ccncc2Br)[C@](C)(C[NH3+])C1 ZINC000630366032 422053796 /nfs/dbraw/zinc/05/37/96/422053796.db2.gz JVSUNCOAISEUHR-AAEUAGOBSA-N 1 0 314.227 1.782 10 0 DDAERO C/C(=C\c1ccccc1)C[N@@H+]1C[C@@H](O)[C@H](Oc2cnn(C)c2)C1 ZINC000628376165 422156639 /nfs/dbraw/zinc/15/66/39/422156639.db2.gz IFTRSYMWKSGZQF-OUJLILQFSA-N 1 0 313.401 1.948 10 0 DDAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(C)C[C@H]1CCCO1 ZINC000637908822 422468060 /nfs/dbraw/zinc/46/80/60/422468060.db2.gz KZVNLCZPFRKBGR-NUEKZKHPSA-N 1 0 306.406 1.556 10 0 DDAERO CCn1cc(Br)cc1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638895126 423182243 /nfs/dbraw/zinc/18/22/43/423182243.db2.gz XEAFPNUXWKOINM-ZJUUUORDSA-N 1 0 314.227 1.937 10 0 DDAERO O=C(NCc1ccccc1Br)[C@H]1C[NH2+]CCOC1 ZINC000643629024 423225355 /nfs/dbraw/zinc/22/53/55/423225355.db2.gz IQBUBAGCSZPXOQ-NSHDSACASA-N 1 0 313.195 1.301 10 0 DDAERO CC[C@@H]1CN(C(=O)[C@@H](C)CCCOC)CC[N@@H+]1C[C@@H](C)O ZINC000182050934 263371448 /nfs/dbraw/zinc/37/14/48/263371448.db2.gz 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C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@](O)(Cn2ccnn2)C1 ZINC000671492853 485077938 /nfs/dbraw/zinc/07/79/38/485077938.db2.gz MFCRVRJGXFOIRN-RHSMWYFYSA-N 1 0 318.396 1.875 10 0 DDAERO Cc1ccccc1CS(=O)(=O)N1CCc2c(ncn2C)C1 ZINC000674489031 485651445 /nfs/dbraw/zinc/65/14/45/485651445.db2.gz YIRSTQPITYCCSB-UHFFFAOYSA-N 1 0 305.403 1.617 10 0 DDAERO O[C@@H]1C[NH2+]C[C@@H]1CNc1ncc(Cl)cc1Br ZINC000420258121 534415441 /nfs/dbraw/zinc/41/54/41/534415441.db2.gz XHVGOGUUFNTTDP-HZGVNTEJSA-N 1 0 306.591 1.490 10 0 DDAERO Cc1cc(C)n2c(CN3CCO[C@@H](C[NH+](C)C)C3)cnc2n1 ZINC000156642232 524560292 /nfs/dbraw/zinc/56/02/92/524560292.db2.gz FJFZBDMDTAQSGD-HNNXBMFYSA-N 1 0 303.410 1.109 10 0 DDAERO C[NH+](C)CCCNC(=O)CCc1ccc(N2CCOCC2)cc1 ZINC000062619770 535835448 /nfs/dbraw/zinc/83/54/48/535835448.db2.gz UGOZJZXGOKKJNA-UHFFFAOYSA-N 1 0 319.449 1.524 10 0 DDAERO C[NH2+][C@H](C)[C@@H]1CCCN(c2ccc(S(N)(=O)=O)cc2F)C1 ZINC000071390740 536405961 /nfs/dbraw/zinc/40/59/61/536405961.db2.gz SIFJGIPZCITARG-GHMZBOCLSA-N 1 0 315.414 1.297 10 0 DDAERO COCC[N@@H+]1CCN(Cc2ccc(OC(C)=O)cc2)C[C@@H]1C ZINC000123089460 696728566 /nfs/dbraw/zinc/72/85/66/696728566.db2.gz UUTLJSCVVXBRGO-AWEZNQCLSA-N 1 0 306.406 1.764 10 0 DDAERO [NH3+]C[C@H]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000044531868 696166351 /nfs/dbraw/zinc/16/63/51/696166351.db2.gz IUGLISSCHDIVHN-SNVBAGLBSA-N 1 0 304.362 1.858 10 0 DDAERO CC[C@H](O)CN1CCN(C(=O)c2cc(Cl)c(Cl)[nH]2)CC1 ZINC000106397343 696626657 /nfs/dbraw/zinc/62/66/57/696626657.db2.gz RGHUQDVCKHESHT-VIFPVBQESA-N 1 0 320.220 1.850 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)NCC(=O)OCc2ccccc2)C1 ZINC000126815369 696765915 /nfs/dbraw/zinc/76/59/15/696765915.db2.gz ASKXTVLZNVTIHG-HNNXBMFYSA-N 1 0 319.405 1.513 10 0 DDAERO C[NH+](C)[C@H]1CCN(Cn2nc(-c3ccc(F)cc3)oc2=O)C1 ZINC000170843039 697350780 /nfs/dbraw/zinc/35/07/80/697350780.db2.gz GAHVRCHBGUFNHK-ZDUSSCGKSA-N 1 0 306.341 1.236 10 0 DDAERO COC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177522499 697413493 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BZKCGEHTFDZKPC-UHFFFAOYSA-N 1 0 309.376 1.848 10 0 DDAERO Cc1nnc(SCC(=O)N[C@H]2CCCC[C@@H]2C)n1CC[NH3+] ZINC000087711531 185230889 /nfs/dbraw/zinc/23/08/89/185230889.db2.gz VRDYLPBNGHPJTF-JQWIXIFHSA-N 1 0 311.455 1.332 10 0 DDAERO C[NH2+][C@H]1CC(C)(C)Cc2nc(N3CCCNC(=O)C3)sc21 ZINC000087885598 185234585 /nfs/dbraw/zinc/23/45/85/185234585.db2.gz ZTGNRBOFHBXDFU-JTQLQIEISA-N 1 0 308.451 1.702 10 0 DDAERO [NH3+]CCC[S@](=O)CCOc1cccc(Br)c1 ZINC000088066622 185238670 /nfs/dbraw/zinc/23/86/70/185238670.db2.gz AUSXLNRCRXFSMZ-MRXNPFEDSA-N 1 0 306.225 1.925 10 0 DDAERO Cn1cnnc1CCn1c(N)[nH+]c2ccc(Br)cc21 ZINC000087837591 185233072 /nfs/dbraw/zinc/23/30/72/185233072.db2.gz QDDOOBFVOKITNJ-UHFFFAOYSA-N 1 0 321.182 1.752 10 0 DDAERO Nc1[nH+]c2ccc(Br)cc2n1C[C@H]1COCCO1 ZINC000087837014 185233170 /nfs/dbraw/zinc/23/31/70/185233170.db2.gz CBVMKIWTTGUNGO-VIFPVBQESA-N 1 0 312.167 1.796 10 0 DDAERO [NH3+][C@H](Cc1cc(Br)ccc1F)[C@H]1COCCO1 ZINC000087857342 185233517 /nfs/dbraw/zinc/23/35/17/185233517.db2.gz 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1.247 10 0 DDAERO Cc1ccc2oc(C(=O)NC[C@]3(O)CCC[NH2+]CC3)cc2c1 ZINC000072124029 191041906 /nfs/dbraw/zinc/04/19/06/191041906.db2.gz NQYLDCZNOSDPFM-KRWDZBQOSA-N 1 0 302.374 1.976 10 0 DDAERO CCC[C@H](C(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1)[NH+](C)C ZINC000155913843 186122862 /nfs/dbraw/zinc/12/28/62/186122862.db2.gz XSYCYZIRHGCPLM-HUUCEWRRSA-N 1 0 308.426 1.149 10 0 DDAERO CCN(C)C(=O)c1cccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000171508340 186170346 /nfs/dbraw/zinc/17/03/46/186170346.db2.gz XWAKKXOUKADQMB-OAHLLOKOSA-N 1 0 303.406 1.555 10 0 DDAERO C[C@@H](NC(=O)C(C)(C)[NH3+])c1ccc(S(C)(=O)=O)c(F)c1 ZINC000237481487 186295765 /nfs/dbraw/zinc/29/57/65/186295765.db2.gz JDCHTXUIUZCKCM-MRVPVSSYSA-N 1 0 302.371 1.144 10 0 DDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C[C@@H](NC(N)=O)c1cccs1 ZINC000262844828 186312060 /nfs/dbraw/zinc/31/20/60/186312060.db2.gz YEJADWRGOAIWKF-HBNTYKKESA-N 1 0 310.423 1.104 10 0 DDAERO Cc1ccccc1C[C@H](C)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000172124942 198042475 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C[NH+](C)CCOC(=O)[C@@](O)(c1ccccc1)c1cccnc1 ZINC000003617208 181041368 /nfs/dbraw/zinc/04/13/68/181041368.db2.gz HBKPXSHWKOETHP-QGZVFWFLSA-N 1 0 300.358 1.422 10 0 DDAERO CC(C)(C(=O)Nc1nc2ccccc2s1)N1CC[NH2+]CC1 ZINC000129592472 354083813 /nfs/dbraw/zinc/08/38/13/354083813.db2.gz PCTBOSHHBIKRIL-UHFFFAOYSA-N 1 0 304.419 1.919 10 0 DDAERO Ic1cnc(NC[C@H]2CCC[NH2+]C2)nc1 ZINC000126242608 354052266 /nfs/dbraw/zinc/05/22/66/354052266.db2.gz CWKGJEIKRCEWIB-QMMMGPOBSA-N 1 0 318.162 1.493 10 0 DDAERO C[NH2+]C[C@@H]1CCCN1c1ncc(I)cn1 ZINC000126286649 354052980 /nfs/dbraw/zinc/05/29/80/354052980.db2.gz OHJOPKPLEIXQCY-VIFPVBQESA-N 1 0 318.162 1.269 10 0 DDAERO CC(C)(C(=O)NCc1ccc(Cl)s1)N1CC[NH2+]CC1 ZINC000131302977 354099478 /nfs/dbraw/zinc/09/94/78/354099478.db2.gz PVVYNJBJTNHCPV-UHFFFAOYSA-N 1 0 301.843 1.702 10 0 DDAERO C[C@@H]1CN(c2ncc(I)cn2)CC[N@@H+]1C ZINC000159220194 354233255 /nfs/dbraw/zinc/23/32/55/354233255.db2.gz PSCXOZLRHASOSH-MRVPVSSYSA-N 1 0 318.162 1.222 10 0 DDAERO CCCC[C@H](COC)[NH2+][C@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000328650607 354558710 /nfs/dbraw/zinc/55/87/10/354558710.db2.gz VONBAPIMOJXGDN-UONOGXRCSA-N 1 0 308.426 1.946 10 0 DDAERO CCc1c(C)sc2[nH]c(=O)n(CC[NH+](CC)CC)c(=O)c12 ZINC000075321090 191463837 /nfs/dbraw/zinc/46/38/37/191463837.db2.gz GRZFZGCPLMTUSF-UHFFFAOYSA-N 1 0 309.435 1.964 10 0 DDAERO CCOC(=O)CN(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000592558296 355628988 /nfs/dbraw/zinc/62/89/88/355628988.db2.gz JCOIRRDSIYELMP-CVEARBPZSA-N 1 0 318.417 1.953 10 0 DDAERO CC[C@]1(CN2CCn3c(nnc3C(F)(F)F)C2)CC[NH2+]C1 ZINC000081525953 192283603 /nfs/dbraw/zinc/28/36/03/192283603.db2.gz MSPJZJXRUCOBKB-LBPRGKRZSA-N 1 0 303.332 1.502 10 0 DDAERO CCC[C@@H](CN1CCn2c(nnc2C(F)(F)F)C1)[NH2+]CC ZINC000081533529 192285415 /nfs/dbraw/zinc/28/54/15/192285415.db2.gz USNJYQZJPBMCCE-JTQLQIEISA-N 1 0 305.348 1.891 10 0 DDAERO Clc1ccc(N2CCn3cnnc3C2)nc1C[NH2+]C1CC1 ZINC000081542615 192288121 /nfs/dbraw/zinc/28/81/21/192288121.db2.gz DYFHVWSTQXQRIE-UHFFFAOYSA-N 1 0 304.785 1.599 10 0 DDAERO O=C(CC1C[NH2+]C1)Nc1ccc(I)cc1 ZINC000081746206 192320063 /nfs/dbraw/zinc/32/00/63/192320063.db2.gz SADRAQFMVYNHPU-UHFFFAOYSA-N 1 0 316.142 1.839 10 0 DDAERO CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC[NH3+] ZINC000237048092 202135176 /nfs/dbraw/zinc/13/51/76/202135176.db2.gz RTDUKMLVWDSODR-ZWNOBZJWSA-N 1 0 311.813 1.559 10 0 DDAERO C[NH2+]C1CCN(C(=O)c2cc(Br)cn2C)CC1 ZINC000237088542 202149731 /nfs/dbraw/zinc/14/97/31/202149731.db2.gz SVQWZSLJPRCPBQ-UHFFFAOYSA-N 1 0 300.200 1.612 10 0 DDAERO CN(C)S(=O)(=O)c1cccc(N[C@@H]2CCC[N@H+](C)CC2)c1 ZINC000086818044 192599170 /nfs/dbraw/zinc/59/91/70/192599170.db2.gz KMJXQJZRWQRJCQ-CYBMUJFWSA-N 1 0 311.451 1.833 10 0 DDAERO O=C(NCCOC1CC[NH2+]CC1)c1c(F)cc(F)cc1F ZINC000086997993 192608576 /nfs/dbraw/zinc/60/85/76/192608576.db2.gz QKMUVFQHYATTCG-UHFFFAOYSA-N 1 0 302.296 1.602 10 0 DDAERO C[C@H]1C[C@H](C)CN(S(=O)(=O)N(C)CCC[NH2+]C2CC2)C1 ZINC000088919754 192658247 /nfs/dbraw/zinc/65/82/47/192658247.db2.gz 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Cc1c(F)cc(N)cc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000094360353 193365928 /nfs/dbraw/zinc/36/59/28/193365928.db2.gz QGNWKKFQMTUPDA-NSHDSACASA-N 1 0 315.414 1.336 10 0 DDAERO CCC[NH2+][C@H]1[C@@H](CN2CCS(=O)CC2)C(C)(C)OC1(C)C ZINC000094428391 193368872 /nfs/dbraw/zinc/36/88/72/193368872.db2.gz OCPRTTVMGORKPI-KGLIPLIRSA-N 1 0 316.511 1.623 10 0 DDAERO Brc1cn2ccnc2c(NCC[NH+]2CCCC2)n1 ZINC000094490518 193373210 /nfs/dbraw/zinc/37/32/10/193373210.db2.gz WCKZNIKAOMZHOI-UHFFFAOYSA-N 1 0 310.199 2.000 10 0 DDAERO COCCN([C@H](C)COC)[C@@]1(C[NH3+])CSCC(C)(C)C1 ZINC000094489404 193373946 /nfs/dbraw/zinc/37/39/46/193373946.db2.gz AAAHYAXVKCUFJW-HIFRSBDPSA-N 1 0 304.500 1.830 10 0 DDAERO [NH3+][C@@H](Cc1ccc(Br)s1)[C@H]1CN2CCN1CC2 ZINC000094508222 193376259 /nfs/dbraw/zinc/37/62/59/193376259.db2.gz AGDXBVIPILYDNW-WDEREUQCSA-N 1 0 316.268 1.380 10 0 DDAERO CNC(=O)c1cc(NC(=O)[C@@H]2CC[C@@H](C[NH3+])O2)ccc1Cl ZINC000094567516 193380537 /nfs/dbraw/zinc/38/05/37/193380537.db2.gz ABLJFVSEZSLSHG-CABZTGNLSA-N 1 0 311.769 1.144 10 0 DDAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)NCc2ccc(Br)cc2)O1 ZINC000094564351 193380597 /nfs/dbraw/zinc/38/05/97/193380597.db2.gz YQFNKPJIMDGLME-RYUDHWBXSA-N 1 0 313.195 1.572 10 0 DDAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)NCc2ccc(C(F)(F)F)cc2)O1 ZINC000094571561 193381682 /nfs/dbraw/zinc/38/16/82/193381682.db2.gz LHLGIOVWCSIMAH-RYUDHWBXSA-N 1 0 302.296 1.828 10 0 DDAERO CN(CC(C)(C)C[NH3+])c1nc2c(Br)cccn2n1 ZINC000094609215 193384497 /nfs/dbraw/zinc/38/44/97/193384497.db2.gz IIVDTGXVOORILX-UHFFFAOYSA-N 1 0 312.215 1.913 10 0 DDAERO C[C@H]1CN(c2nc3ccc(Br)cn3n2)CC[C@@H]1[NH3+] ZINC000094609303 193384541 /nfs/dbraw/zinc/38/45/41/193384541.db2.gz LZKMOQKTYYXVIQ-WPRPVWTQSA-N 1 0 310.199 1.665 10 0 DDAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1c1nc2ccc(Br)cn2n1 ZINC000094609072 193384687 /nfs/dbraw/zinc/38/46/87/193384687.db2.gz ZIEABMOBVOLZIO-FXPVBKGRSA-N 1 0 322.210 1.536 10 0 DDAERO Cc1cscc1CNS(=O)(=O)N1CCCC[C@H]1C[NH3+] ZINC000094887032 193405252 /nfs/dbraw/zinc/40/52/52/193405252.db2.gz XYJUAVBKYJLLNV-LBPRGKRZSA-N 1 0 303.453 1.204 10 0 DDAERO NS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000094749112 193395243 /nfs/dbraw/zinc/39/52/43/193395243.db2.gz ZGKNBIFPCJCVEO-OLZOCXBDSA-N 1 0 311.407 1.180 10 0 DDAERO CCC[NH2+]C[C@@](C)(O)Cc1c(Br)c(C)nn1C ZINC000097210161 193692403 /nfs/dbraw/zinc/69/24/03/193692403.db2.gz MHHDERDZRHLPQG-LBPRGKRZSA-N 1 0 304.232 1.784 10 0 DDAERO CC[NH2+][C@@H](COC(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000097309548 193706532 /nfs/dbraw/zinc/70/65/32/193706532.db2.gz FKEONBRYEYDYDS-UONOGXRCSA-N 1 0 306.472 1.451 10 0 DDAERO CCOC(=O)c1ccc(N2C(=O)C[C@H](SCC[NH3+])C2=O)cc1 ZINC000016900518 182063074 /nfs/dbraw/zinc/06/30/74/182063074.db2.gz PXUDGZPNLUIRRX-LBPRGKRZSA-N 1 0 322.386 1.187 10 0 DDAERO [NH3+]Cc1cc(S(=O)(=O)NCCc2ccccc2)ccc1F ZINC000020189163 182195578 /nfs/dbraw/zinc/19/55/78/182195578.db2.gz UUVRUYRVNNDJER-UHFFFAOYSA-N 1 0 308.378 1.805 10 0 DDAERO COc1ccc(CNCC[NH2+]C[C@@H](C)O)cc1Br ZINC000020967650 182257013 /nfs/dbraw/zinc/25/70/13/182257013.db2.gz LKSVYICHSSIFQR-SNVBAGLBSA-N 1 0 317.227 1.518 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H](COCCOC)C2)C1 ZINC000174232444 248359806 /nfs/dbraw/zinc/35/98/06/248359806.db2.gz ZVKOHFMMQUACJQ-GJZGRUSLSA-N 1 0 313.442 1.165 10 0 DDAERO COCC[S@](=O)Cc1cccc(NC(=O)[C@H](C)[C@H](C)[NH3+])c1 ZINC000192057112 248562793 /nfs/dbraw/zinc/56/27/93/248562793.db2.gz DSMOUCMWESSHSY-IDFMNXDXSA-N 1 0 312.435 1.504 10 0 DDAERO O=C(c1ccccc1Br)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424055877 296260780 /nfs/dbraw/zinc/26/07/80/296260780.db2.gz JTFWLDLHEKAZDV-NWDGAFQWSA-N 1 0 311.179 1.262 10 0 DDAERO COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)c1 ZINC000040633198 183111299 /nfs/dbraw/zinc/11/12/99/183111299.db2.gz SVCHTNMXRAWBLN-BXKDBHETSA-N 1 0 312.753 1.442 10 0 DDAERO [NH3+]CCCCNS(=O)(=O)c1ccc2nc(Cl)ccc2c1 ZINC000040807087 183135738 /nfs/dbraw/zinc/13/57/38/183135738.db2.gz MARCHEMMBHEELZ-UHFFFAOYSA-N 1 0 313.810 1.905 10 0 DDAERO C[NH+](C)Cc1cccc(NS(=O)(=O)c2ccc(=O)[nH]c2)c1 ZINC000040826170 183137277 /nfs/dbraw/zinc/13/72/77/183137277.db2.gz SYSASBWVWXVWKS-UHFFFAOYSA-N 1 0 307.375 1.237 10 0 DDAERO CC1CC[NH+](CCNc2cc(N)cc(S(N)(=O)=O)c2)CC1 ZINC000040771589 183130968 /nfs/dbraw/zinc/13/09/68/183130968.db2.gz YODKZTGWNCIREG-UHFFFAOYSA-N 1 0 312.439 1.060 10 0 DDAERO Cc1cc(N)cc(S(=O)(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000040771149 183131209 /nfs/dbraw/zinc/13/12/09/183131209.db2.gz MSDHPTJGOUXVGD-UHFFFAOYSA-N 1 0 311.451 1.587 10 0 DDAERO Nc1cccc(NC(=O)CCSc2nc(N)cc(N)[nH+]2)c1 ZINC000041023456 183156401 /nfs/dbraw/zinc/15/64/01/183156401.db2.gz RRSMKLXKHYCPCU-UHFFFAOYSA-N 1 0 304.379 1.344 10 0 DDAERO C[NH+](C)C[C@H](O)CNCc1cc(Br)ccc1F ZINC000041069398 183162436 /nfs/dbraw/zinc/16/24/36/183162436.db2.gz WFQLMHJKKCOQGA-LLVKDONJSA-N 1 0 305.191 1.600 10 0 DDAERO [NH3+][C@@H](CS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000041532429 183199089 /nfs/dbraw/zinc/19/90/89/183199089.db2.gz FRVWPUCRJQPMGB-ZDUSSCGKSA-N 1 0 305.355 1.889 10 0 DDAERO C[C@H]([NH3+])c1ccc(NC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000041716933 183218282 /nfs/dbraw/zinc/21/82/82/183218282.db2.gz KNWCYASPVSVABD-GXFFZTMASA-N 1 0 311.407 1.357 10 0 DDAERO CCOC(=O)CCNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C)cc1 ZINC000041681732 183216341 /nfs/dbraw/zinc/21/63/41/183216341.db2.gz PLTCYKMPNUCEIY-LLVKDONJSA-N 1 0 314.407 1.199 10 0 DDAERO Cn1c(=O)cc(C[NH2+]CCc2ccc(Cl)cc2)n(C)c1=O ZINC000042316633 183253537 /nfs/dbraw/zinc/25/35/37/183253537.db2.gz ZZLMQDWBHYYADB-UHFFFAOYSA-N 1 0 307.781 1.070 10 0 DDAERO CCNC(=O)[C@@H](C)Oc1c(Br)cccc1CC[NH3+] ZINC000042412726 183266037 /nfs/dbraw/zinc/26/60/37/183266037.db2.gz TUGDQFLVFWBPJU-SECBINFHSA-N 1 0 315.211 1.854 10 0 DDAERO CCO[C@H]1CCC[N@H+](CCC(=O)N(C)CCC(N)=S)C1 ZINC000042422442 183267830 /nfs/dbraw/zinc/26/78/30/183267830.db2.gz ZSKRWBOKHKNCHI-LBPRGKRZSA-N 1 0 301.456 1.012 10 0 DDAERO CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N(CCO)C(C)C)cc1 ZINC000042481055 183275115 /nfs/dbraw/zinc/27/51/15/183275115.db2.gz NTJWWLJABMZNCO-CYBMUJFWSA-N 1 0 314.451 1.749 10 0 DDAERO COC[C@H](O)C[N@H+](C)CCCOc1ccccc1C(N)=S ZINC000042506115 183278061 /nfs/dbraw/zinc/27/80/61/183278061.db2.gz NFFSBDCETYQEMS-GFCCVEGCSA-N 1 0 312.435 1.029 10 0 DDAERO CC(C)N(CCCO)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000042514255 183278845 /nfs/dbraw/zinc/27/88/45/183278845.db2.gz KTSIDMVYQQSVRB-UHFFFAOYSA-N 1 0 300.424 1.068 10 0 DDAERO COC(=O)CN(C(C)C)S(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000042718671 183301589 /nfs/dbraw/zinc/30/15/89/183301589.db2.gz HDURDRCUJXWDNB-LLVKDONJSA-N 1 0 314.407 1.278 10 0 DDAERO C[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N(CCO)CCO ZINC000042954092 183321492 /nfs/dbraw/zinc/32/14/92/183321492.db2.gz YAPDWFFQGHYVQM-GXFFZTMASA-N 1 0 317.227 1.124 10 0 DDAERO C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N1CCNC(=O)C1 ZINC000043019932 183328410 /nfs/dbraw/zinc/32/84/10/183328410.db2.gz YVGAJMRSPCBKAY-NOZJJQNGSA-N 1 0 312.211 1.269 10 0 DDAERO CC[C@H]([NH3+])[C@@H](c1cccc(OC)c1)N1CCS(=O)(=O)CC1 ZINC000043026951 183331092 /nfs/dbraw/zinc/33/10/92/183331092.db2.gz HWKQUZUDRQVLCH-LSDHHAIUSA-N 1 0 312.435 1.204 10 0 DDAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)s1)N1CCS(=O)(=O)CC1 ZINC000043240726 183346196 /nfs/dbraw/zinc/34/61/96/183346196.db2.gz WOCDQDDULLZNSF-DGCLKSJQSA-N 1 0 302.465 1.565 10 0 DDAERO [NH3+]C[C@@H](c1ccc(Br)s1)N1CCC[C@@H]1CO ZINC000043261329 183349179 /nfs/dbraw/zinc/34/91/79/183349179.db2.gz AOJPJLCSDQOHJD-BDAKNGLRSA-N 1 0 305.241 1.967 10 0 DDAERO CS(=O)(=O)Nc1ccc(N[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000043326887 183355312 /nfs/dbraw/zinc/35/53/12/183355312.db2.gz OQUOTALFDSBZCK-SNVBAGLBSA-N 1 0 303.815 1.875 10 0 DDAERO CN(C)C(=O)CN(C)[C@H](C[NH3+])c1ccccc1Br ZINC000043091495 183335693 /nfs/dbraw/zinc/33/56/93/183335693.db2.gz SFTXJGFLLXQQRF-GFCCVEGCSA-N 1 0 314.227 1.469 10 0 DDAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Br)N(C)CC(N)=O ZINC000043091460 183335742 /nfs/dbraw/zinc/33/57/42/183335742.db2.gz LBQHXKBWNVHBPC-WCQYABFASA-N 1 0 314.227 1.645 10 0 DDAERO COCCN(C(=O)CC[C@H]1CCC[NH2+]C1)[C@@H]1CCSC1 ZINC000043589194 183373880 /nfs/dbraw/zinc/37/38/80/183373880.db2.gz DXLGMESRDLLVIX-ZIAGYGMSSA-N 1 0 300.468 1.747 10 0 DDAERO O=S(=O)(CCC1CC[NH2+]CC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000043427846 183361757 /nfs/dbraw/zinc/36/17/57/183361757.db2.gz ZILZEBOGODXIIN-LSDHHAIUSA-N 1 0 316.467 1.349 10 0 DDAERO C[NH+]1CCC(CNS(=O)(=O)c2cc(N)c(F)cc2F)CC1 ZINC000044515942 183417888 /nfs/dbraw/zinc/41/78/88/183417888.db2.gz XGQWCBIRGBIAIW-UHFFFAOYSA-N 1 0 319.377 1.167 10 0 DDAERO Cc1ccc(C(N)=O)cc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105024546 194065470 /nfs/dbraw/zinc/06/54/70/194065470.db2.gz MNVZZJLMCPQGGY-AWEZNQCLSA-N 1 0 316.405 1.796 10 0 DDAERO CC[C@@H]1CN(Cc2cc(C(=O)OC)co2)CC[N@@H+]1C[C@@H](C)O ZINC000105827968 194138499 /nfs/dbraw/zinc/13/84/99/194138499.db2.gz HYPAXRAMFJAQGT-TZMCWYRMSA-N 1 0 310.394 1.343 10 0 DDAERO CC[C@@H]1CN(Cc2ccc(C(N)=O)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000105826498 194138535 /nfs/dbraw/zinc/13/85/35/194138535.db2.gz FEYXOOLHBYBQAV-CZUORRHYSA-N 1 0 305.422 1.063 10 0 DDAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)Nc1cccnc1Cl ZINC000105871358 194151903 /nfs/dbraw/zinc/15/19/03/194151903.db2.gz DBXKPIOEZFMSHO-ZJUUUORDSA-N 1 0 320.784 1.258 10 0 DDAERO CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886655 194156759 /nfs/dbraw/zinc/15/67/59/194156759.db2.gz CDXQHKMVDACELM-ZDUSSCGKSA-N 1 0 321.425 1.218 10 0 DDAERO CCOCC[N@@H+]1CCN(CCC(=O)OC(C)(C)C)C[C@@H]1C ZINC000105914035 194169101 /nfs/dbraw/zinc/16/91/01/194169101.db2.gz FIUGHFDMOLGSST-AWEZNQCLSA-N 1 0 300.443 1.761 10 0 DDAERO O=S(=O)(Nc1ccccc1Br)C1CC[NH2+]CC1 ZINC000049641655 183750546 /nfs/dbraw/zinc/75/05/46/183750546.db2.gz FLGFNCPMUHRSDC-UHFFFAOYSA-N 1 0 319.224 1.943 10 0 DDAERO COc1ccc(CNS(=O)(=O)CC[NH2+]C(C)C)c(OC)c1 ZINC000109555355 194273991 /nfs/dbraw/zinc/27/39/91/194273991.db2.gz SAFPCIDHRYAONO-UHFFFAOYSA-N 1 0 316.423 1.121 10 0 DDAERO CN(c1cc(C[NH3+])nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000109588490 194274548 /nfs/dbraw/zinc/27/45/48/194274548.db2.gz 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311.451 1.515 10 0 DDAERO CC[NH+](CC)[C@@H]1CCN(c2ccc(S(C)(=O)=O)cc2N)C1 ZINC000062975871 184264072 /nfs/dbraw/zinc/26/40/72/184264072.db2.gz DSJZMOWZMCJCDD-GFCCVEGCSA-N 1 0 311.451 1.593 10 0 DDAERO [NH3+]C[C@H](c1ccc(Cl)s1)N1CC[C@H](N2CCOCC2)C1 ZINC000062977901 184264397 /nfs/dbraw/zinc/26/43/97/184264397.db2.gz MYEPGXDKRLNSEH-NWDGAFQWSA-N 1 0 315.870 1.808 10 0 DDAERO Cc1cccc(N)c1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062975750 184264406 /nfs/dbraw/zinc/26/44/06/184264406.db2.gz CLKXGFVWPHXTAU-CYBMUJFWSA-N 1 0 309.435 1.436 10 0 DDAERO CCOc1cc(CC[NH3+])ccc1OCCCS(C)(=O)=O ZINC000063017514 184267021 /nfs/dbraw/zinc/26/70/21/184267021.db2.gz KMSBSOLBKSLLLP-UHFFFAOYSA-N 1 0 301.408 1.400 10 0 DDAERO C[C@H]1CCCCN1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063189866 184277249 /nfs/dbraw/zinc/27/72/49/184277249.db2.gz GWOSNWXEXDKKRJ-SOUVJXGZSA-N 1 0 315.483 1.712 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(NC(C)=O)ccc1O ZINC000063737073 184287162 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[NH3+]CCC[C@H](NC(=O)N1C[C@@H](F)C[C@H]1CO)c1ccccc1 ZINC000418653138 419920469 /nfs/dbraw/zinc/92/04/69/419920469.db2.gz ADSVTGUGAJOYRT-KKUMJFAQSA-N 1 0 309.385 1.581 10 0 DDAERO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ncc(OC)cn1 ZINC000645729093 423157013 /nfs/dbraw/zinc/15/70/13/423157013.db2.gz VXPVXJFWQJSHIO-QWHCGFSZSA-N 1 0 304.394 1.574 10 0 DDAERO C[NH2+][C@H]1CCCN(c2ccc(I)cn2)C1 ZINC000420155025 420135582 /nfs/dbraw/zinc/13/55/82/420135582.db2.gz KBSPHLGVXDFLKS-JTQLQIEISA-N 1 0 317.174 1.874 10 0 DDAERO Cn1ncc(Br)c1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000638875142 423167725 /nfs/dbraw/zinc/16/77/25/423167725.db2.gz GHTKQIMTVVPSPA-SECBINFHSA-N 1 0 315.215 1.189 10 0 DDAERO CO[C@@H]1CN(CC(=O)N(C)Cc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630357576 422043203 /nfs/dbraw/zinc/04/32/03/422043203.db2.gz YWPYBXAKNZGMDL-RDJZCZTQSA-N 1 0 305.422 1.083 10 0 DDAERO CN(C[C@@H]1CCn2ccnc2C1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000637380480 422187853 /nfs/dbraw/zinc/18/78/53/422187853.db2.gz 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/nfs/dbraw/zinc/70/17/18/424701718.db2.gz BTJNPHFBCJLPJL-PRHODGIISA-N 1 0 315.186 1.936 10 0 DDAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCO[C@@H](c3ccco3)C2)C1 ZINC000341605752 271137167 /nfs/dbraw/zinc/13/71/67/271137167.db2.gz FDPLRMVSQGDIML-UMVBOHGHSA-N 1 0 307.394 1.845 10 0 DDAERO CO[C@H]1C[C@@H](CN(C)C(=O)COc2cc(C)ccc2F)[N@H+](C)C1 ZINC000344506371 272043611 /nfs/dbraw/zinc/04/36/11/272043611.db2.gz HZFBZSKJKVWHSA-KBPBESRZSA-N 1 0 324.396 1.690 10 0 DDAERO COCC[N@H+](C)CCNC(=O)N[C@@H]1CCOc2ccccc21 ZINC000171190539 274023332 /nfs/dbraw/zinc/02/33/32/274023332.db2.gz UBHVLXIEHFSXDB-CQSZACIVSA-N 1 0 307.394 1.388 10 0 DDAERO COc1nc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ncc1Br ZINC000261577457 274168093 /nfs/dbraw/zinc/16/80/93/274168093.db2.gz OJXKOVXZQPEXCQ-SCZZXKLOSA-N 1 0 313.199 1.436 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H]1COc2ccccc21 ZINC000247533928 274374843 /nfs/dbraw/zinc/37/48/43/274374843.db2.gz XUADUZGHHQDBLV-IPYPFGDCSA-N 1 0 301.390 1.998 10 0 DDAERO C[C@H]1CCN(c2ccc3nnc(C(F)(F)F)n3n2)C[C@H]1C[NH3+] ZINC000262395744 274563232 /nfs/dbraw/zinc/56/32/32/274563232.db2.gz BVKZZZNZDBWDMO-DTWKUNHWSA-N 1 0 314.315 1.564 10 0 DDAERO CC(C)[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000250140138 275704606 /nfs/dbraw/zinc/70/46/06/275704606.db2.gz YTQLUTLHISBZRF-DYEKYZERSA-N 1 0 307.394 1.148 10 0 DDAERO CC1(C)CN(C(=O)c2ccc(N3CCOCC3)cc2)CC[C@H]1[NH3+] ZINC000262003205 275842143 /nfs/dbraw/zinc/84/21/43/275842143.db2.gz NOFMIYJMZPDYDR-MRXNPFEDSA-N 1 0 317.433 1.723 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccnc(C(=O)N(C)C)c2)C1 ZINC000152040164 276178070 /nfs/dbraw/zinc/17/80/70/276178070.db2.gz HRCRCVMAFRUUBY-ZDUSSCGKSA-N 1 0 319.409 1.389 10 0 DDAERO CN(CCN(C)c1ccccc1)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000262048175 276836201 /nfs/dbraw/zinc/83/62/01/276836201.db2.gz QTLHFTSPALUTIM-INIZCTEOSA-N 1 0 305.422 1.335 10 0 DDAERO CC(=O)N[C@H](CC(=O)N1CCC[C@@H]1C[NH3+])c1ccc(C)cc1 ZINC000236718144 277053207 /nfs/dbraw/zinc/05/32/07/277053207.db2.gz KVMDWSXLLVBRRY-HZPDHXFCSA-N 1 0 303.406 1.512 10 0 DDAERO CC(C)c1nc2c(n1C)CCN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])C2 ZINC000261783408 278074485 /nfs/dbraw/zinc/07/44/85/278074485.db2.gz PNKCTTUCXHIQQX-CHWSQXEVSA-N 1 0 304.438 1.803 10 0 DDAERO C[C@H]1CN(C)c2ccccc2CN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000333538708 278424893 /nfs/dbraw/zinc/42/48/93/278424893.db2.gz NOBJZCULPAXXQG-ZFWWWQNUSA-N 1 0 318.421 1.025 10 0 DDAERO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CCc2ccccc2C1 ZINC000227164113 279641482 /nfs/dbraw/zinc/64/14/82/279641482.db2.gz MNDAFBCIFVLORF-ZFWWWQNUSA-N 1 0 309.435 1.007 10 0 DDAERO CC[C@H]1CN(Cc2ccccc2NC(C)=O)CC[N@@H+]1C[C@@H](C)O ZINC000120756871 281170761 /nfs/dbraw/zinc/17/07/61/281170761.db2.gz QWYVSSALMDLKBX-PBHICJAKSA-N 1 0 319.449 1.922 10 0 DDAERO CC(C)C(=O)NCCCNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000127662747 281281994 /nfs/dbraw/zinc/28/19/94/281281994.db2.gz FFURQAGHIJHIKJ-KGLIPLIRSA-N 1 0 312.458 1.177 10 0 DDAERO C[NH+](C)C[C@H]1CN(Cc2cc(-c3ccccc3)n[nH]2)CCO1 ZINC000128208088 281303261 /nfs/dbraw/zinc/30/32/61/281303261.db2.gz QREJHRJMJSNVHS-INIZCTEOSA-N 1 0 300.406 1.839 10 0 DDAERO CCn1c(C)nnc1CN1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000249862224 281598880 /nfs/dbraw/zinc/59/88/80/281598880.db2.gz GNNGKZPBAUERDW-IIAWOOMASA-N 1 0 321.469 1.680 10 0 DDAERO CC[C@@H]1CN(C(=O)[C@H](C)OCCC(C)C)CC[N@@H+]1C[C@H](C)O ZINC000246676469 282006121 /nfs/dbraw/zinc/00/61/21/282006121.db2.gz APMPQAIUQAKNPL-HRCADAONSA-N 1 0 314.470 1.741 10 0 DDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CNC(=O)Cc2ccccc2)C1 ZINC000246796733 282015822 /nfs/dbraw/zinc/01/58/22/282015822.db2.gz CXLHSEQPFVKZNE-GOEBONIOSA-N 1 0 317.433 1.190 10 0 DDAERO [NH3+]C[C@H]1CCCCN1C(=O)CCCc1ccc2c(c1)CC(=O)N2 ZINC000237940999 295265024 /nfs/dbraw/zinc/26/50/24/295265024.db2.gz NOELRAKSNMXPTE-OAHLLOKOSA-N 1 0 315.417 1.844 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000170855090 298222793 /nfs/dbraw/zinc/22/27/93/298222793.db2.gz NRVOVIIXIGTRLH-UONOGXRCSA-N 1 0 309.454 1.434 10 0 DDAERO Cc1ccc(NC(=O)[C@H](C)N2CCO[C@@H](C[NH+](C)C)C2)c(C)c1 ZINC000246986831 301642923 /nfs/dbraw/zinc/64/29/23/301642923.db2.gz ARVSTFRFXGMELH-HOTGVXAUSA-N 1 0 319.449 1.893 10 0 DDAERO O=C1NCC[C@@H]1[N@@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000378190908 302288885 /nfs/dbraw/zinc/28/88/85/302288885.db2.gz QJEWUBJWABUIGR-WPRPVWTQSA-N 1 0 302.300 1.496 10 0 DDAERO COCC[C@H](CO)[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400488528 302369975 /nfs/dbraw/zinc/36/99/75/302369975.db2.gz YKKVWSKWIFWKBQ-HZSPNIEDSA-N 1 0 316.442 1.619 10 0 DDAERO COC[C@H](CO)[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400701682 302370237 /nfs/dbraw/zinc/37/02/37/302370237.db2.gz BZSVCVDQSYHSHT-UPJWGTAASA-N 1 0 302.415 1.229 10 0 DDAERO C[C@H]([NH2+]CCn1cncn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400687016 302370600 /nfs/dbraw/zinc/37/06/00/302370600.db2.gz YHANUVRWKJHNGS-ZDUSSCGKSA-N 1 0 323.441 1.903 10 0 DDAERO COc1ccc(CN2C(=O)C[C@@H]3CC[C@H]([NH3+])C[C@@H]32)c(OC)c1 ZINC000584625769 337375573 /nfs/dbraw/zinc/37/55/73/337375573.db2.gz OLLVAKKTEWFEDY-WHOFXGATSA-N 1 0 304.390 1.932 10 0 DDAERO COC(=O)CC[N@H+](CCc1ccccc1)C[C@@H](C)C(=O)OC ZINC000584642368 337380178 /nfs/dbraw/zinc/38/01/78/337380178.db2.gz JRTOCGYWFCDTJC-CQSZACIVSA-N 1 0 307.390 1.903 10 0 DDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCN(Cc2cccs2)CC1 ZINC000089455461 484010507 /nfs/dbraw/zinc/01/05/07/484010507.db2.gz UUPCWSPAMFYWCC-DZGCQCFKSA-N 1 0 307.463 1.767 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 ZINC000155485069 484055551 /nfs/dbraw/zinc/05/55/51/484055551.db2.gz WHCULRIOODVYFK-SNPRPXQTSA-N 1 0 307.438 1.232 10 0 DDAERO COc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000229594793 484166706 /nfs/dbraw/zinc/16/67/06/484166706.db2.gz FDIDGFRUCZINBR-KOLCDFICSA-N 1 0 318.826 1.767 10 0 DDAERO CC[C@@H]1CN(c2ncc(Br)c(OC)n2)CC[C@@H]1[NH3+] ZINC000233940474 484175487 /nfs/dbraw/zinc/17/54/87/484175487.db2.gz GCKKFYVIRHHKMN-SCZZXKLOSA-N 1 0 315.215 1.811 10 0 DDAERO C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261897756 484259076 /nfs/dbraw/zinc/25/90/76/484259076.db2.gz WAGKIZPOXWVQIA-NFAWXSAZSA-N 1 0 318.421 1.782 10 0 DDAERO Cc1ccccc1-c1nc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cs1 ZINC000262078500 484261135 /nfs/dbraw/zinc/26/11/35/484261135.db2.gz CFJGDLNIJMWOKG-SMDDNHRTSA-N 1 0 317.414 1.429 10 0 DDAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1cc(Cl)ccc1OC(F)F ZINC000262130914 484263397 /nfs/dbraw/zinc/26/33/97/484263397.db2.gz NXASKKLNIIABJX-GXSJLCMTSA-N 1 0 306.740 1.611 10 0 DDAERO Cc1c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)oc2c1c(C)ccc2C ZINC000262206078 484265085 /nfs/dbraw/zinc/26/50/85/484265085.db2.gz INWUCDWSRAMWOD-QWHCGFSZSA-N 1 0 302.374 1.668 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cccc(-c2cscn2)c1 ZINC000262217410 484265810 /nfs/dbraw/zinc/26/58/10/484265810.db2.gz JGGONCMLLLJTOQ-JSGCOSHPSA-N 1 0 303.387 1.120 10 0 DDAERO Cc1cc(O[C@H](C)C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)ccc1C(C)C ZINC000262238576 484266600 /nfs/dbraw/zinc/26/66/00/484266600.db2.gz KSSNOGFQDKUFKS-JKIFEVAISA-N 1 0 320.433 1.582 10 0 DDAERO Cc1cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c(C)n1C1CCCCC1 ZINC000262369700 484269902 /nfs/dbraw/zinc/26/99/02/484269902.db2.gz VZCXFKRIDCNKML-RHSMWYFYSA-N 1 0 319.449 1.920 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1occc1COc1ccccc1 ZINC000262401934 484270869 /nfs/dbraw/zinc/27/08/69/484270869.db2.gz YRPPTTUWQTXRFH-ZFWWWQNUSA-N 1 0 316.357 1.169 10 0 DDAERO COC1(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CCOCC1 ZINC000122430525 490631755 /nfs/dbraw/zinc/63/17/55/490631755.db2.gz ZNSUDQCEEQSXRE-KBPBESRZSA-N 1 0 313.442 1.210 10 0 DDAERO Cn1nncc1C[N@@H+]1CCC[C@H](CC(=O)N2CCCC2)CC1 ZINC000299746688 534360948 /nfs/dbraw/zinc/36/09/48/534360948.db2.gz ZDCOFNITRSDHCM-AWEZNQCLSA-N 1 0 305.426 1.430 10 0 DDAERO CC(C)CC(=O)Nc1ccc2c(c1)OCC(=O)N2CC[NH+](C)C ZINC000012119894 535381058 /nfs/dbraw/zinc/38/10/58/535381058.db2.gz GSSHIMICWALJOB-UHFFFAOYSA-N 1 0 319.405 1.958 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC000063466807 696327972 /nfs/dbraw/zinc/32/79/72/696327972.db2.gz JDYLDBOMJSEPEJ-RYUDHWBXSA-N 1 0 301.431 1.746 10 0 DDAERO COC[C@H]1CCC[N@H+](Cn2cnc3c2ncnc3NC(C)C)C1 ZINC000112960429 696653958 /nfs/dbraw/zinc/65/39/58/696653958.db2.gz DWIDJHCLDLPYJO-ZDUSSCGKSA-N 1 0 318.425 1.963 10 0 DDAERO CCC(=O)c1cccc(S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000124538000 696743572 /nfs/dbraw/zinc/74/35/72/696743572.db2.gz QASBXONXTUKYCQ-OCCSQVGLSA-N 1 0 310.419 1.685 10 0 DDAERO O[C@H](C[NH+]1CCN(CCc2cccnc2)CC1)c1ccccc1 ZINC000172162208 697365195 /nfs/dbraw/zinc/36/51/95/697365195.db2.gz RGYBHJSSNPKZFO-LJQANCHMSA-N 1 0 311.429 1.975 10 0 DDAERO C#CC[NH+]1CCC(C(=O)N[C@H](CCC)C(=O)OC(C)(C)C)CC1 ZINC000183649574 697491049 /nfs/dbraw/zinc/49/10/49/697491049.db2.gz KWGYXGLDXFBZOJ-OAHLLOKOSA-N 1 0 322.449 1.958 10 0 DDAERO C[C@H](C(=O)N[C@@H]1C[NH+]2CCC1CC2)n1ccc(C(F)(F)F)n1 ZINC000222543707 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304.316 1.485 10 0 DDAERO CCN(C1C[NH2+]C1)S(=O)(=O)c1ccccc1Br ZINC000090291445 185289734 /nfs/dbraw/zinc/28/97/34/185289734.db2.gz WWHBADVBWVNIMA-UHFFFAOYSA-N 1 0 319.224 1.432 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1Nc1ccccc1S(=O)(=O)C(F)F ZINC000090313415 185290598 /nfs/dbraw/zinc/29/05/98/185290598.db2.gz VGMGBKDXJQXFGC-UISBYWKRSA-N 1 0 320.361 1.600 10 0 DDAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000090312419 185290619 /nfs/dbraw/zinc/29/06/19/185290619.db2.gz WXUSKSHIVDWNDU-PCDDKUFXSA-N 1 0 312.797 1.728 10 0 DDAERO O=S(=O)(c1ccc(C(F)(F)F)cc1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090322021 185290898 /nfs/dbraw/zinc/29/08/98/185290898.db2.gz MTPXFOZVLGRWIS-UWVGGRQHSA-N 1 0 320.336 1.545 10 0 DDAERO O=C(c1ccc(Br)cc1O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090321083 185291025 /nfs/dbraw/zinc/29/10/25/185291025.db2.gz RQMXPYXFMKGXDK-DTORHVGOSA-N 1 0 311.179 1.446 10 0 DDAERO CCn1nc(C)c(Br)c1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090322633 185291095 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CN(Cc1ccccc1Br)C(=O)[C@@H]1COC[C@@H]1[NH3+] ZINC000090381682 185293741 /nfs/dbraw/zinc/29/37/41/185293741.db2.gz LNHJBMJWVOJYFD-PWSUYJOCSA-N 1 0 313.195 1.381 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1CN1CCN(c2ccccc2Cl)CC1 ZINC000090438664 185296707 /nfs/dbraw/zinc/29/67/07/185296707.db2.gz UOLCWPNBFIHRNT-ZFWWWQNUSA-N 1 0 309.841 1.696 10 0 DDAERO C[C@]1(C(=O)NCc2ccc(Br)s2)COC[C@@H]1[NH3+] ZINC000090595455 185305694 /nfs/dbraw/zinc/30/56/94/185305694.db2.gz RLRAGMQEAADDFG-KWQFWETISA-N 1 0 319.224 1.491 10 0 DDAERO CC[NH2+]C[C@H](C)c1c(C)nn([C@@]2(C)CCS(=O)(=O)C2)c1C ZINC000092321812 185312193 /nfs/dbraw/zinc/31/21/93/185312193.db2.gz HKABOVZPEBHCRZ-NHYWBVRUSA-N 1 0 313.467 1.747 10 0 DDAERO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@@H](C)C[NH2+]C(C)C ZINC000092320384 185312135 /nfs/dbraw/zinc/31/21/35/185312135.db2.gz JNQWLKRBROORII-SMDDNHRTSA-N 1 0 313.467 1.961 10 0 DDAERO Cc1noc(C)c1CNS(=O)(=O)c1ccc(C)c(C[NH3+])c1 ZINC000092344186 185313376 /nfs/dbraw/zinc/31/33/76/185313376.db2.gz CFVGFKJHBILVSW-UHFFFAOYSA-N 1 0 309.391 1.537 10 0 DDAERO Cc1nn(CCS(C)(=O)=O)c(C)c1CCC[NH2+]C(C)C ZINC000092323509 185312377 /nfs/dbraw/zinc/31/23/77/185312377.db2.gz GUIMYVCCYIEGRW-UHFFFAOYSA-N 1 0 301.456 1.475 10 0 DDAERO CCNc1cc[nH+]c(CN2CCSC[C@@H]2S(C)(=O)=O)c1 ZINC000092419460 185317157 /nfs/dbraw/zinc/31/71/57/185317157.db2.gz PDYIJXALPQNYCS-ZDUSSCGKSA-N 1 0 315.464 1.433 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc(CO)oc1C ZINC000092678422 185333394 /nfs/dbraw/zinc/33/33/94/185333394.db2.gz DYJHGNZXVMYXSE-LBPRGKRZSA-N 1 0 316.423 1.185 10 0 DDAERO CN(C[C@@H]1CCC[N@@H+]1C)c1ncc(Br)cc1CO ZINC000092633779 185330364 /nfs/dbraw/zinc/33/03/64/185330364.db2.gz IPEQJORBVVEAGO-LBPRGKRZSA-N 1 0 314.227 1.867 10 0 DDAERO NS(=O)(=O)c1ccc(N[C@H]2c3ccccc3C[C@@H]2[NH3+])cc1 ZINC000111377720 185590550 /nfs/dbraw/zinc/59/05/50/185590550.db2.gz XRABNOZGFPEAEP-GJZGRUSLSA-N 1 0 303.387 1.371 10 0 DDAERO CC(C)COc1ccc(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000232599198 201895934 /nfs/dbraw/zinc/89/59/34/201895934.db2.gz AWKBVAMMWHESKK-DOMZBBRYSA-N 1 0 312.435 1.689 10 0 DDAERO CC[NH2+][C@@H](C)[C@@H]1CCCN(S(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000111713839 185629217 /nfs/dbraw/zinc/62/92/17/185629217.db2.gz YDZBWNHAHHRFEF-WCQYABFASA-N 1 0 314.455 1.127 10 0 DDAERO CCC[NH2+][C@H](C)C1CCN(S(=O)(=O)CCOCC)CC1 ZINC000111714779 185629871 /nfs/dbraw/zinc/62/98/71/185629871.db2.gz ZHKILOHMWCLNSI-CYBMUJFWSA-N 1 0 306.472 1.453 10 0 DDAERO CCOCCS(=O)(=O)N1CCC[C@H](C[NH2+]CC(C)C)C1 ZINC000111719914 185631490 /nfs/dbraw/zinc/63/14/90/185631490.db2.gz GYZCOMAKPTZPRX-CQSZACIVSA-N 1 0 306.472 1.310 10 0 DDAERO O=C(NCCOC1CC[NH2+]CC1)c1ccc(F)cc1Cl ZINC000111789566 185637037 /nfs/dbraw/zinc/63/70/37/185637037.db2.gz AAEVMEDYZRYCNS-UHFFFAOYSA-N 1 0 300.761 1.978 10 0 DDAERO CCOC(=O)N1CC[NH2+][C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000616633084 362765187 /nfs/dbraw/zinc/76/51/87/362765187.db2.gz HSOILQPWWFXCIX-NSHDSACASA-N 1 0 301.387 1.332 10 0 DDAERO CC(C)(C)OC(=O)NCCN1CC[NH2+][C@@H](c2cccc(N)n2)C1 ZINC000616654680 362769833 /nfs/dbraw/zinc/76/98/33/362769833.db2.gz MBNTXQKJONSQST-CYBMUJFWSA-N 1 0 321.425 1.135 10 0 DDAERO CCCCS(=O)(=O)N1CCC[C@H]([C@@]23CC[C@@H]2CC[NH2+]3)C1 ZINC000725263629 539570253 /nfs/dbraw/zinc/57/02/53/539570253.db2.gz XCLSREVBQVGPIW-QLFBSQMISA-N 1 0 300.468 1.970 10 0 DDAERO C[C@H]1CCC[C@H](C[NH3+])N1S(=O)(=O)N(C)C1CCCCC1 ZINC000070154043 190863437 /nfs/dbraw/zinc/86/34/37/190863437.db2.gz MNDQRBDRLBHWQF-GXTWGEPZSA-N 1 0 303.472 1.697 10 0 DDAERO [NH3+][C@H](CO)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000070513743 190903596 /nfs/dbraw/zinc/90/35/96/190903596.db2.gz QYWFNZDYPCRGRH-LBPRGKRZSA-N 1 0 303.328 1.147 10 0 DDAERO CC(C)(C)OC(=O)N1C[C@@H](C(=O)OCc2ccccc2)[C@H]1C[NH3+] ZINC000071186614 190939203 /nfs/dbraw/zinc/93/92/03/190939203.db2.gz XWOZPVGZFCIRDL-ZIAGYGMSSA-N 1 0 320.389 1.924 10 0 DDAERO CCCN(Cc1csc(CC(=O)N(C)C)n1)[C@@H]1CC[NH2+]C1 ZINC000071330853 190959097 /nfs/dbraw/zinc/95/90/97/190959097.db2.gz XUATVHGCUOWMPH-CYBMUJFWSA-N 1 0 310.467 1.348 10 0 DDAERO CC[C@H](C)[C@@H]1C[NH2+][C@@](C)(CC)CN1CCCS(C)(=O)=O ZINC000071357081 190962544 /nfs/dbraw/zinc/96/25/44/190962544.db2.gz DEQNVDBTODVUTI-KKUMJFAQSA-N 1 0 304.500 1.910 10 0 DDAERO COC(C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)OC ZINC000083799177 192384113 /nfs/dbraw/zinc/38/41/13/192384113.db2.gz QHWMGIAJDJVTKJ-GFCCVEGCSA-N 1 0 302.415 1.842 10 0 DDAERO NS(=O)(=O)c1cccc(NC(=O)CC2([NH3+])CCCCC2)c1 ZINC000084162567 192408973 /nfs/dbraw/zinc/40/89/73/192408973.db2.gz FKVWDUFCUYLZJG-UHFFFAOYSA-N 1 0 311.407 1.324 10 0 DDAERO CCC[C@H](C(=O)Nc1ccc(NC(N)=O)c(OC)c1)[NH+](C)C ZINC000155668653 186101124 /nfs/dbraw/zinc/10/11/24/186101124.db2.gz CGJCVGHKDKEHKB-GFCCVEGCSA-N 1 0 308.382 1.855 10 0 DDAERO COCCOc1ccc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000172306701 198076679 /nfs/dbraw/zinc/07/66/79/198076679.db2.gz ILFXIGTYUHSIAH-MRXNPFEDSA-N 1 0 322.405 1.114 10 0 DDAERO CC[NH+]1CCN(c2ncc(C(=O)NCCC(C)C)c(C)n2)CC1 ZINC000072466419 191173896 /nfs/dbraw/zinc/17/38/96/191173896.db2.gz UATRWAIZYIFOIT-UHFFFAOYSA-N 1 0 319.453 1.703 10 0 DDAERO COc1cccc(NC(=O)CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000172801629 198151244 /nfs/dbraw/zinc/15/12/44/198151244.db2.gz VFIGOBVVPOPFMB-OAHLLOKOSA-N 1 0 303.406 1.804 10 0 DDAERO C[C@@H](COCc1ccccc1)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000174350809 198323083 /nfs/dbraw/zinc/32/30/83/198323083.db2.gz UTOYESAPGDHIAB-GOEBONIOSA-N 1 0 305.422 1.985 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1c(C)c(C)sc1=O ZINC000175034522 198418765 /nfs/dbraw/zinc/41/87/65/198418765.db2.gz SJBIRFRSUIUCCB-ZIAGYGMSSA-N 1 0 323.462 1.612 10 0 DDAERO CCC[NH2+]CCNC(=O)[C@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000236800911 202016175 /nfs/dbraw/zinc/01/61/75/202016175.db2.gz YJKQKWIXBGYBDF-MRXNPFEDSA-N 1 0 319.449 1.865 10 0 DDAERO CC[C@@H]1CN([C@H](C)c2nc(C)cc(=O)[nH]2)CC[N@@H+]1C[C@@H](C)O ZINC000248760787 354371328 /nfs/dbraw/zinc/37/13/28/354371328.db2.gz QQECNHIFNANGIF-MGPQQGTHSA-N 1 0 308.426 1.329 10 0 DDAERO CC1CC[NH+](CC(=O)N(C)C[C@H]2CCn3ccnc3C2)CC1 ZINC000328632412 354554123 /nfs/dbraw/zinc/55/41/23/354554123.db2.gz RTMROFVNZWYOBH-HNNXBMFYSA-N 1 0 304.438 1.636 10 0 DDAERO CCn1nccc1CN(Cc1cncnc1)[C@H]1CCC[NH2+]CC1 ZINC000328653114 354558791 /nfs/dbraw/zinc/55/87/91/354558791.db2.gz WTIWHSYDFSHGSY-INIZCTEOSA-N 1 0 314.437 1.837 10 0 DDAERO Cc1nn(C)c(C)c1[C@H]1[C@H](C[NH2+][C@H]2CCCOC2)CC(=O)N1C ZINC000328627775 354551610 /nfs/dbraw/zinc/55/16/10/354551610.db2.gz NCHBZZSVZDUDLQ-GRDNDAEWSA-N 1 0 320.437 1.325 10 0 DDAERO CCCNC(=O)C1(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)CCCCC1 ZINC000236819988 202025164 /nfs/dbraw/zinc/02/51/64/202025164.db2.gz PBFXCKJOXGVKCK-KBPBESRZSA-N 1 0 309.454 1.849 10 0 DDAERO CCc1c(C)nc(-n2nc(C)cc2C)nc1N1CCC[NH2+]CC1 ZINC000073663501 191339482 /nfs/dbraw/zinc/33/94/82/191339482.db2.gz DTTJLNUTWPBGIW-UHFFFAOYSA-N 1 0 314.437 1.950 10 0 DDAERO NC(=O)c1ccccc1NC(=O)CC1CC[NH+](C2CC2)CC1 ZINC000074921230 191388111 /nfs/dbraw/zinc/38/81/11/191388111.db2.gz XSJQXHGGHHHXIR-UHFFFAOYSA-N 1 0 301.390 1.989 10 0 DDAERO C[NH+]1CCC(n2c(=O)[nH]c3sc4c(c3c2=O)CCC4)CC1 ZINC000075319790 191463810 /nfs/dbraw/zinc/46/38/10/191463810.db2.gz KVENNOSYGWEMAJ-UHFFFAOYSA-N 1 0 305.403 1.507 10 0 DDAERO CC(C)[NH2+][C@@](CO)(Cn1cc(Br)cn1)C1CC1 ZINC000085263915 192486793 /nfs/dbraw/zinc/48/67/93/192486793.db2.gz SVQSPGCXENSUGB-GFCCVEGCSA-N 1 0 302.216 1.785 10 0 DDAERO NC(=[NH2+])[C@H](NS(=O)(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000079786915 191973519 /nfs/dbraw/zinc/97/35/19/191973519.db2.gz KQLFWCDXAVSLRH-CYBMUJFWSA-N 1 0 313.398 1.989 10 0 DDAERO CCS(=O)(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085366254 192495733 /nfs/dbraw/zinc/49/57/33/192495733.db2.gz SOGAGSPXDZCPNF-STQMWFEESA-N 1 0 311.407 1.514 10 0 DDAERO CCc1nc(N2CC[C@@H](COC)C2)sc1C[NH2+]CCOC ZINC000081119976 192229730 /nfs/dbraw/zinc/22/97/30/192229730.db2.gz IIQPXEIDAUSINS-GFCCVEGCSA-N 1 0 313.467 1.914 10 0 DDAERO [NH3+]C[C@H](c1ccco1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081530242 192285282 /nfs/dbraw/zinc/28/52/82/192285282.db2.gz NJOPIAOSBSHOMQ-MRVPVSSYSA-N 1 0 301.272 1.406 10 0 DDAERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N[C@@H](C)CCOC)cc1 ZINC000081717802 192317024 /nfs/dbraw/zinc/31/70/24/192317024.db2.gz GXHJITCNSBGOIR-RYUDHWBXSA-N 1 0 300.424 1.670 10 0 DDAERO CCC[C@@H]([NH3+])C(=O)N1CCCN(c2nccc(OCC)n2)CC1 ZINC000236917175 202070934 /nfs/dbraw/zinc/07/09/34/202070934.db2.gz VYTDSIAANXVTLS-CYBMUJFWSA-N 1 0 321.425 1.041 10 0 DDAERO CC[C@@H]1C[NH2+]C2(CCCCC2)CN1C[C@@H]1CCS(=O)(=O)C1 ZINC000086261547 192557388 /nfs/dbraw/zinc/55/73/88/192557388.db2.gz QWAYMKNIJINZKA-LSDHHAIUSA-N 1 0 314.495 1.808 10 0 DDAERO O=S(=O)(CC1CC1)N(CC(F)(F)F)C1CC[NH2+]CC1 ZINC000086496641 192577030 /nfs/dbraw/zinc/57/70/30/192577030.db2.gz DEQQASVLFLCRTN-UHFFFAOYSA-N 1 0 300.346 1.343 10 0 DDAERO C[NH2+]CCNC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000237063328 202139771 /nfs/dbraw/zinc/13/97/71/202139771.db2.gz SKQMKAIVAZTDHR-ZDUSSCGKSA-N 1 0 311.813 1.430 10 0 DDAERO C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](NC(=O)CC(C)C)C(C)C)C1 ZINC000237067635 202141762 /nfs/dbraw/zinc/14/17/62/202141762.db2.gz OUZYRFINQPHGSX-GOEBONIOSA-N 1 0 311.470 1.631 10 0 DDAERO COCCN1C(N)=[NH+]C[C@H]1c1ccc(Br)s1 ZINC000086474125 192575687 /nfs/dbraw/zinc/57/56/87/192575687.db2.gz VWEQIEKUKUSZBW-ZETCQYMHSA-N 1 0 304.213 1.828 10 0 DDAERO C[NH2+]C[C@@H]1CCCN1C(=O)CNC(=O)Nc1cccc(C)c1 ZINC000237086540 202148005 /nfs/dbraw/zinc/14/80/05/202148005.db2.gz QPRDVVIKJIQRIY-AWEZNQCLSA-N 1 0 304.394 1.327 10 0 DDAERO COCC[S@@](=O)Cc1cccc(NC(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC000237122112 202159557 /nfs/dbraw/zinc/15/95/57/202159557.db2.gz KPZYXAKHMNRNCB-OYHNWAKOSA-N 1 0 324.446 1.662 10 0 DDAERO CNC(=O)Cn1ccc2ccc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)cc21 ZINC000237147898 202167918 /nfs/dbraw/zinc/16/79/18/202167918.db2.gz BASQDGGBFHQFQZ-STQMWFEESA-N 1 0 314.389 1.453 10 0 DDAERO CCS(=O)(=O)CCCN1CC(C)(C)[NH2+]C[C@H]1C(C)(C)C ZINC000086982303 192606620 /nfs/dbraw/zinc/60/66/20/192606620.db2.gz 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CCNS(=O)(=O)c1ccc(N(CC)CC(C)(C)C[NH3+])cc1 ZINC000093892247 193323878 /nfs/dbraw/zinc/32/38/78/193323878.db2.gz UVAQNIGPFJUWPL-UHFFFAOYSA-N 1 0 313.467 1.796 10 0 DDAERO CCn1nc(C)c(Cl)c1C[C@@H]([NH2+]C)[C@H]1CN(C)CCN1C ZINC000093894754 193325063 /nfs/dbraw/zinc/32/50/63/193325063.db2.gz WDJWBTVTSRNJKZ-TZMCWYRMSA-N 1 0 313.877 1.241 10 0 DDAERO CCn1nc(C)c(Cl)c1C[C@@H]([NH3+])[C@H]1CN(C(C)C)CCO1 ZINC000093926012 193328422 /nfs/dbraw/zinc/32/84/22/193328422.db2.gz SSHWXXABVDUFNF-TZMCWYRMSA-N 1 0 314.861 1.844 10 0 DDAERO CCC[NH2+]Cc1cc(F)ccc1N(C)CCS(C)(=O)=O ZINC000094299200 193357551 /nfs/dbraw/zinc/35/75/51/193357551.db2.gz AXDXJWSYIXIKEM-UHFFFAOYSA-N 1 0 302.415 1.806 10 0 DDAERO CCC[NH2+][C@@H]1[C@@H](S(=O)(=O)CC(=O)OCC)CCC1(C)C ZINC000094311371 193358316 /nfs/dbraw/zinc/35/83/16/193358316.db2.gz XLOLOKJTOUVUQD-WCQYABFASA-N 1 0 305.440 1.521 10 0 DDAERO CC[NH2+]Cc1cc(F)c(O[C@@H](C)C(=O)NC(N)=O)c(F)c1 ZINC000094346834 193363066 /nfs/dbraw/zinc/36/30/66/193363066.db2.gz JIOFCIPVQXPKOB-ZETCQYMHSA-N 1 0 301.293 1.037 10 0 DDAERO C[C@H]([NH3+])Cc1cc(F)c(OCCCS(C)(=O)=O)c(F)c1 ZINC000094350265 193363427 /nfs/dbraw/zinc/36/34/27/193363427.db2.gz CIORTSHHSCTDHN-VIFPVBQESA-N 1 0 307.362 1.668 10 0 DDAERO Cc1cc(NC(=O)[C@@]2(C)COC[C@H]2[NH3+])ncc1Br ZINC000094063681 193342763 /nfs/dbraw/zinc/34/27/63/193342763.db2.gz JCUFGLZEEOBVLY-SKDRFNHKSA-N 1 0 314.183 1.455 10 0 DDAERO CC[C@@](C)([NH3+])C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000094236856 193353342 /nfs/dbraw/zinc/35/33/42/193353342.db2.gz HCNKIZMIDYWVAZ-CQSZACIVSA-N 1 0 313.423 1.311 10 0 DDAERO CCC[NH2+]C1CCN([C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094633982 193385537 /nfs/dbraw/zinc/38/55/37/193385537.db2.gz AHDTVTAFEZKPOH-HUUCEWRRSA-N 1 0 302.484 1.806 10 0 DDAERO CC(C)CN(CCC(N)=[NH2+])[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094637254 193386662 /nfs/dbraw/zinc/38/66/62/193386662.db2.gz CHGFCOFWMYDNGK-OLZOCXBDSA-N 1 0 303.472 1.626 10 0 DDAERO CS(=O)(=O)[C@@H]1CCC[C@H]([N@@H+]2CCc3c(N)cccc3C2)C1 ZINC000094638622 193387593 /nfs/dbraw/zinc/38/75/93/193387593.db2.gz XFXKDHWVCOOGKR-UONOGXRCSA-N 1 0 308.447 1.983 10 0 DDAERO CCC[NH2+]Cc1ncnn1[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094644056 193389467 /nfs/dbraw/zinc/38/94/67/193389467.db2.gz NXVSMWKUYYKKPY-NWDGAFQWSA-N 1 0 300.428 1.306 10 0 DDAERO CCCCN(C(=O)[C@H](C[NH3+])CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000094698425 193391617 /nfs/dbraw/zinc/39/16/17/193391617.db2.gz KBWORAGSIYVMFG-UONOGXRCSA-N 1 0 318.483 1.423 10 0 DDAERO CC[NH2+][C@@H]1[C@H](CN2CCS(=O)CC2)C(C)(C)OC1(C)C ZINC000094428384 193369015 /nfs/dbraw/zinc/36/90/15/193369015.db2.gz IWNLWWVUNLEEHG-QWHCGFSZSA-N 1 0 302.484 1.232 10 0 DDAERO [NH3+][C@@H](c1cccc(OC(F)(F)F)c1)[C@H]1CN2CCN1CC2 ZINC000094508326 193375226 /nfs/dbraw/zinc/37/52/26/193375226.db2.gz IGHDETCFVTWKOD-OLZOCXBDSA-N 1 0 301.312 1.585 10 0 DDAERO C[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1NN)[NH+](C)C ZINC000094596567 193382367 /nfs/dbraw/zinc/38/23/67/193382367.db2.gz DWXRNHKRQPDMDX-QMMMGPOBSA-N 1 0 304.316 1.671 10 0 DDAERO C[C@H]([NH2+]CC(C)(C)NS(C)(=O)=O)c1cc(F)cc(F)c1 ZINC000094827573 193401859 /nfs/dbraw/zinc/40/18/59/193401859.db2.gz DXHNKHBYJSVAEO-VIFPVBQESA-N 1 0 306.378 1.943 10 0 DDAERO Cc1ccsc1C[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000094880064 193404061 /nfs/dbraw/zinc/40/40/61/193404061.db2.gz OIZKSKMLMUNWEV-LBPRGKRZSA-N 1 0 302.465 1.818 10 0 DDAERO Cc1cccc(CN(C)S(=O)(=O)CC[C@@H]2CCCC[NH2+]2)n1 ZINC000094920265 193406354 /nfs/dbraw/zinc/40/63/54/193406354.db2.gz RVNAUYUSBBEKKT-AWEZNQCLSA-N 1 0 311.451 1.684 10 0 DDAERO Cc1cc(F)c(N)cc1S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094779348 193396098 /nfs/dbraw/zinc/39/60/98/193396098.db2.gz TYOWULOMZVCDHD-LLVKDONJSA-N 1 0 313.398 1.185 10 0 DDAERO [NH3+]CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000020183650 182195053 /nfs/dbraw/zinc/19/50/53/182195053.db2.gz XVWOCSWCAPWXFB-UHFFFAOYSA-N 1 0 308.378 1.975 10 0 DDAERO CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C[NH3+])c2C(N)=O)C1 ZINC000020335833 182209326 /nfs/dbraw/zinc/20/93/26/182209326.db2.gz TZLNHJWJESPFHL-MRVPVSSYSA-N 1 0 309.435 1.895 10 0 DDAERO CN1CCN([C@@H](C[NH3+])c2cc(Br)cs2)CC1 ZINC000020475202 182221388 /nfs/dbraw/zinc/22/13/88/182221388.db2.gz ZOTFUOMNBFDGID-JTQLQIEISA-N 1 0 304.257 1.758 10 0 DDAERO CCN1CCN([C@@H](C[NH3+])c2ccc(Br)o2)CC1 ZINC000022173753 182311899 /nfs/dbraw/zinc/31/18/99/182311899.db2.gz SQQTWQUGVGREFP-JTQLQIEISA-N 1 0 302.216 1.679 10 0 DDAERO O=C1CCCN1C[C@H](O)C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000084501228 248232502 /nfs/dbraw/zinc/23/25/02/248232502.db2.gz ZPPRURMYXXPECO-GFCCVEGCSA-N 1 0 308.344 1.634 10 0 DDAERO CN(C)CC[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000037851878 182931873 /nfs/dbraw/zinc/93/18/73/182931873.db2.gz YNYADCISNUUAPU-LLVKDONJSA-N 1 0 307.221 1.884 10 0 DDAERO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1c(F)cc(F)cc1F ZINC000037908921 182935587 /nfs/dbraw/zinc/93/55/87/182935587.db2.gz ZIBZPGIRTMYTJS-SNVBAGLBSA-N 1 0 322.352 1.867 10 0 DDAERO O=C1C(C[NH2+]CCCn2ccnc2)=CC2=CC=C[C@H]3CCN1[C@@H]23 ZINC000039287534 183016318 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Cc1cccc(N)c1S(=O)(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040621310 183109912 /nfs/dbraw/zinc/10/99/12/183109912.db2.gz ONHITIFMXZTOQJ-ZDUSSCGKSA-N 1 0 311.451 1.586 10 0 DDAERO CC(C)[C@H](CNC(=O)c1sccc1N)N1CC[NH+](C)CC1 ZINC000040769961 183131828 /nfs/dbraw/zinc/13/18/28/183131828.db2.gz FGLRUALNNNJVBI-ZDUSSCGKSA-N 1 0 310.467 1.332 10 0 DDAERO Nc1ccc(F)cc1S(=O)(=O)NCC[NH+]1CCCCCC1 ZINC000040767366 183130913 /nfs/dbraw/zinc/13/09/13/183130913.db2.gz WYPDWGIFDAJAMH-UHFFFAOYSA-N 1 0 315.414 1.562 10 0 DDAERO CCn1cc(Br)cc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000041028207 183157688 /nfs/dbraw/zinc/15/76/88/183157688.db2.gz GAWMQYXOYLWOJU-JTQLQIEISA-N 1 0 300.200 1.834 10 0 DDAERO [NH3+][C@H]1CCCN(CC(=O)Nc2ncc(Cl)cc2Cl)C1 ZINC000041029345 183157728 /nfs/dbraw/zinc/15/77/28/183157728.db2.gz ODRHZXYJEQERRH-VIFPVBQESA-N 1 0 303.193 1.750 10 0 DDAERO Nc1csc(S(=O)(=O)NCCC[NH+]2CCCCC2)c1 ZINC000041068188 183161285 /nfs/dbraw/zinc/16/12/85/183161285.db2.gz FBULVGITRKTOGS-UHFFFAOYSA-N 1 0 303.453 1.485 10 0 DDAERO CC(C)[NH+](CCNS(=O)(=O)c1cc(N)cs1)C(C)C ZINC000041067749 183161549 /nfs/dbraw/zinc/16/15/49/183161549.db2.gz LOCIWKUBOTZZQG-UHFFFAOYSA-N 1 0 305.469 1.727 10 0 DDAERO C[C@@H](CNS(=O)(=O)c1cc(N)cs1)C[NH+]1CCCCC1 ZINC000041068507 183162429 /nfs/dbraw/zinc/16/24/29/183162429.db2.gz UVZRKOCLIUBDLJ-NSHDSACASA-N 1 0 317.480 1.731 10 0 DDAERO OC[C@H](c1cc(Br)cs1)N1CCC[NH2+]CC1 ZINC000041678648 183215990 /nfs/dbraw/zinc/21/59/90/183215990.db2.gz XDMWXVOUXBSUQO-SNVBAGLBSA-N 1 0 305.241 1.839 10 0 DDAERO CCCN(CC[NH+](C)C)S(=O)(=O)c1ccc(Cl)nc1 ZINC000041679102 183216242 /nfs/dbraw/zinc/21/62/42/183216242.db2.gz UABSODLKEARAGN-UHFFFAOYSA-N 1 0 305.831 1.697 10 0 DDAERO CCCN(CC[NH+](C)C)S(=O)(=O)c1cnc(Cl)s1 ZINC000041679124 183216439 /nfs/dbraw/zinc/21/64/39/183216439.db2.gz DTBROBOIDHVSDJ-UHFFFAOYSA-N 1 0 311.860 1.759 10 0 DDAERO C[C@@H](Oc1c(Br)cccc1C[NH2+]C1CC1)C(N)=O ZINC000042411954 183266362 /nfs/dbraw/zinc/26/63/62/183266362.db2.gz BIIUWAYSOIFVRP-MRVPVSSYSA-N 1 0 313.195 1.954 10 0 DDAERO COCCCN(CCOC)[C@@H](C[NH3+])c1ccc(F)cc1F ZINC000042421018 183268042 /nfs/dbraw/zinc/26/80/42/183268042.db2.gz ITFWAICXDRXOPU-HNNXBMFYSA-N 1 0 302.365 1.950 10 0 DDAERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CCO)C(C)C)cc1 ZINC000042481051 183275382 /nfs/dbraw/zinc/27/53/82/183275382.db2.gz FUTPNNHDSXXVIO-LBPRGKRZSA-N 1 0 300.424 1.358 10 0 DDAERO CNC(=O)[C@H](C)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000042341905 183256782 /nfs/dbraw/zinc/25/67/82/183256782.db2.gz KFCIRRUJZBEAHL-ZETCQYMHSA-N 1 0 315.167 1.402 10 0 DDAERO COCCN(CC(C)C)S(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000042370883 183260085 /nfs/dbraw/zinc/26/00/85/183260085.db2.gz NHXKYBZQLRUOOD-ZDUSSCGKSA-N 1 0 314.451 1.999 10 0 DDAERO C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)CCC(=O)OC)c1 ZINC000042552009 183283924 /nfs/dbraw/zinc/28/39/24/183283924.db2.gz ILBUVOMDDJFEEY-NSHDSACASA-N 1 0 314.407 1.151 10 0 DDAERO Cn1nnnc1S[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042958665 183323671 /nfs/dbraw/zinc/32/36/71/183323671.db2.gz VBQSLQDKUPUBOB-VIFPVBQESA-N 1 0 314.212 1.765 10 0 DDAERO CC[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)N1CCN(CCO)CC1 ZINC000043014493 183327345 /nfs/dbraw/zinc/32/73/45/183327345.db2.gz KHVCMLXJLBCQOD-JKSUJKDBSA-N 1 0 311.857 1.728 10 0 DDAERO C[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043014870 183327499 /nfs/dbraw/zinc/32/74/99/183327499.db2.gz NCATXSKFDKBJOE-ZLKJLUDKSA-N 1 0 316.854 1.847 10 0 DDAERO COc1ccccc1[C@H]([C@@H](C)[NH3+])N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043097725 183338392 /nfs/dbraw/zinc/33/83/92/183338392.db2.gz GPMAPWZWODCBNH-JMSVASOKSA-N 1 0 312.435 1.202 10 0 DDAERO C[C@@H]([NH3+])[C@@H](c1cc(Br)cs1)N(C)CC(N)=O ZINC000043285395 183350713 /nfs/dbraw/zinc/35/07/13/183350713.db2.gz LWGVETJZDGSKAB-LDWIPMOCSA-N 1 0 306.229 1.316 10 0 DDAERO CCC[NH2+][C@H](c1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 ZINC000043301479 183352498 /nfs/dbraw/zinc/35/24/98/183352498.db2.gz TWICPWFQJAOFPT-SWLSCSKDSA-N 1 0 311.403 1.891 10 0 DDAERO [NH3+][C@H](c1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000043300054 183352543 /nfs/dbraw/zinc/35/25/43/183352543.db2.gz DLJCNXZXQXDWMX-PELKAZGASA-N 1 0 317.794 1.546 10 0 DDAERO C[C@@H]([NH3+])[C@@H](c1cccnc1)N1CCN(c2nccs2)CC1 ZINC000043345883 183356454 /nfs/dbraw/zinc/35/64/54/183356454.db2.gz DNPYNJQGCFLXOV-OCCSQVGLSA-N 1 0 303.435 1.749 10 0 DDAERO C[C@H]([NH3+])[C@H](Oc1ccc(S(C)(=O)=O)cc1)c1cccnc1 ZINC000043351287 183356539 /nfs/dbraw/zinc/35/65/39/183356539.db2.gz ONHPYNPAPXJPRZ-NHYWBVRUSA-N 1 0 306.387 1.952 10 0 DDAERO CCC[NH2+]Cc1ccc(O[C@@H](C)C(=O)NC(N)=O)c(Cl)c1 ZINC000043479232 183366039 /nfs/dbraw/zinc/36/60/39/183366039.db2.gz LKYLDFQATODPOJ-VIFPVBQESA-N 1 0 313.785 1.802 10 0 DDAERO O=C(Nc1c(F)cc(F)cc1Br)[C@H]1C[NH2+]CCO1 ZINC000043707930 183382453 /nfs/dbraw/zinc/38/24/53/183382453.db2.gz AUIXUGTUVLJBAG-SECBINFHSA-N 1 0 321.121 1.654 10 0 DDAERO C[NH+](C)C(C)(C)CNS(=O)(=O)c1cc(N)c(F)cc1Cl ZINC000043411148 183360257 /nfs/dbraw/zinc/36/02/57/183360257.db2.gz XUVLWSQRFPLTDK-UHFFFAOYSA-N 1 0 323.821 1.680 10 0 DDAERO Cc1cc(N)c(S(=O)(=O)NC[C@H]2CCCC[N@H+]2C)cc1C ZINC000044563350 183422647 /nfs/dbraw/zinc/42/26/47/183422647.db2.gz IUBPRKGFFBAMGL-CYBMUJFWSA-N 1 0 311.451 1.648 10 0 DDAERO Cc1ccc(C)c(OCC[N@@H+]2CC[C@](O)(c3cn[nH]n3)C2)c1 ZINC000284549975 218074386 /nfs/dbraw/zinc/07/43/86/218074386.db2.gz GMZCLLCSHYEPME-MRXNPFEDSA-N 1 0 302.378 1.394 10 0 DDAERO COc1cccc(F)c1C(=O)N(C)C[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000284664351 218123048 /nfs/dbraw/zinc/12/30/48/218123048.db2.gz GJDRRNWUAGRXJW-RYUDHWBXSA-N 1 0 310.369 1.625 10 0 DDAERO Cc1cc(C)n(CCCNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000105076661 194070350 /nfs/dbraw/zinc/07/03/50/194070350.db2.gz PXURMPTYGYSHOH-MRXNPFEDSA-N 1 0 319.453 1.770 10 0 DDAERO CC[C@H]1CN(CCOc2ccc(F)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000105825088 194137371 /nfs/dbraw/zinc/13/73/71/194137371.db2.gz MWOMDAVNGGJFNW-ZBFHGGJFSA-N 1 0 310.413 1.982 10 0 DDAERO O[C@H](C[N@@H+]1CCCN(c2cccnn2)CC1)c1ccccc1F ZINC000105799750 194132192 /nfs/dbraw/zinc/13/21/92/194132192.db2.gz VYFJIWNCCJTUGT-MRXNPFEDSA-N 1 0 316.380 1.861 10 0 DDAERO FC(F)(F)COCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105805816 194134059 /nfs/dbraw/zinc/13/40/59/194134059.db2.gz YICUUUXBOHGGSV-UHFFFAOYSA-N 1 0 304.316 1.932 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2cn3cccnc3n2)C[C@@H]1C ZINC000105835158 194142954 /nfs/dbraw/zinc/14/29/54/194142954.db2.gz DIPDEHSRRDXPGS-AWEZNQCLSA-N 1 0 303.410 1.272 10 0 DDAERO CC(C)CCNC(=O)[C@H](C)[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000105874099 194153752 /nfs/dbraw/zinc/15/37/52/194153752.db2.gz AGRSWVXWQHHXKL-UONOGXRCSA-N 1 0 321.469 1.857 10 0 DDAERO O=c1cc(C[NH+]2CCC(Cn3cccn3)CC2)nc2ccccn12 ZINC000105886470 194157927 /nfs/dbraw/zinc/15/79/27/194157927.db2.gz ZHBMOCRAZTZQDB-UHFFFAOYSA-N 1 0 323.400 1.803 10 0 DDAERO Cc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000105904262 194167020 /nfs/dbraw/zinc/16/70/20/194167020.db2.gz NORTUSHQULYKKT-HOTGVXAUSA-N 1 0 316.405 1.663 10 0 DDAERO C[NH+](C)C[C@H]1CN(CCCOCCc2ccccc2)CCO1 ZINC000105924716 194171030 /nfs/dbraw/zinc/17/10/30/194171030.db2.gz SXEUBQHTUFPMGR-SFHVURJKSA-N 1 0 306.450 1.898 10 0 DDAERO COCCN(C)S(=O)(=O)c1ccc(C[NH2+]C(C)C)cc1 ZINC000048924844 183697251 /nfs/dbraw/zinc/69/72/51/183697251.db2.gz RVKBJSUFTYYDKI-UHFFFAOYSA-N 1 0 300.424 1.452 10 0 DDAERO CN(C[C@@H]1CCCCO1)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000048950688 183699234 /nfs/dbraw/zinc/69/92/34/183699234.db2.gz PDGPPTVATWTAKE-NSHDSACASA-N 1 0 318.464 1.439 10 0 DDAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)NC12CC3CC(CC(C3)C1)C2 ZINC000049632277 183750062 /nfs/dbraw/zinc/75/00/62/183750062.db2.gz PQKCMQPNKNAPPK-AXQFOSQISA-N 1 0 312.479 1.874 10 0 DDAERO Cc1nn(C)c(C)c1S(=O)(=O)NC1(C[NH3+])CCC(C)CC1 ZINC000050252072 183779335 /nfs/dbraw/zinc/77/93/35/183779335.db2.gz OKHPRMCSHVSOHG-UHFFFAOYSA-N 1 0 314.455 1.223 10 0 DDAERO CCCN(C(CC)(CC)C[NH3+])S(=O)(=O)N1CCCCC1 ZINC000050093754 183773008 /nfs/dbraw/zinc/77/30/08/183773008.db2.gz GBELLAXOTGTCAT-UHFFFAOYSA-N 1 0 305.488 1.947 10 0 DDAERO CCC[C@@H](C(N)=S)[NH+]1CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC000109464626 194265416 /nfs/dbraw/zinc/26/54/16/194265416.db2.gz GHXXVLMKURLOHQ-QWHCGFSZSA-N 1 0 313.467 1.155 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC000109464623 194265835 /nfs/dbraw/zinc/26/58/35/194265835.db2.gz GHXXVLMKURLOHQ-OLZOCXBDSA-N 1 0 313.467 1.155 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN(C(=O)c2ccc(C)nc2)CC1 ZINC000109460261 194266102 /nfs/dbraw/zinc/26/61/02/194266102.db2.gz BHTTWYQMCDZESJ-CYBMUJFWSA-N 1 0 306.435 1.213 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000109463855 194266164 /nfs/dbraw/zinc/26/61/64/194266164.db2.gz LALOVQOUOUHNCR-GFCCVEGCSA-N 1 0 311.476 1.961 10 0 DDAERO CN(c1cc(CO)[nH+]c2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000109594345 194275867 /nfs/dbraw/zinc/27/58/67/194275867.db2.gz XKVIZCCOLUJYFE-LBPRGKRZSA-N 1 0 306.387 1.350 10 0 DDAERO CC[C@@H]1CN(Cc2nc3c(cnn3C)c(Cl)n2)CC[N@@H+]1C ZINC000110717632 194353937 /nfs/dbraw/zinc/35/39/37/194353937.db2.gz FNGGDQMSIKGMTK-SNVBAGLBSA-N 1 0 308.817 1.543 10 0 DDAERO CC[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2N)CC[N@@H+]1C ZINC000110703312 194351636 /nfs/dbraw/zinc/35/16/36/194351636.db2.gz YZFRGNSZMVLJFI-LBPRGKRZSA-N 1 0 310.829 1.887 10 0 DDAERO NC(=S)C[NH+]1CCC(NC(=O)Cc2ccc(F)cc2)CC1 ZINC000110825784 194361888 /nfs/dbraw/zinc/36/18/88/194361888.db2.gz ZNTVPTGMSIXMHP-UHFFFAOYSA-N 1 0 309.410 1.235 10 0 DDAERO CCNS(=O)(=O)c1ccc(N(CC)[C@@H]2CCC[NH2+]C2)cc1 ZINC000110947378 194372855 /nfs/dbraw/zinc/37/28/55/194372855.db2.gz JLDHLKZPMGRKPH-CQSZACIVSA-N 1 0 311.451 1.563 10 0 DDAERO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@@H]2COc3ccccc3C2)O1 ZINC000340314393 251003663 /nfs/dbraw/zinc/00/36/63/251003663.db2.gz AJSRERZQICNIJI-DZKIICNBSA-N 1 0 304.390 1.216 10 0 DDAERO [NH3+]C[C@@]1(Cc2ccc(Br)s2)CCS(=O)(=O)C1 ZINC000054634971 183946862 /nfs/dbraw/zinc/94/68/62/183946862.db2.gz IIPTUDBNLRVAMB-JTQLQIEISA-N 1 0 324.265 1.817 10 0 DDAERO COCC[NH2+]C[C@H](Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000054639435 183947171 /nfs/dbraw/zinc/94/71/71/183947171.db2.gz GTXDPYLWBDLAIS-CVEARBPZSA-N 1 0 311.447 1.516 10 0 DDAERO O=C1CC[C@@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)CN1 ZINC000111019968 194384085 /nfs/dbraw/zinc/38/40/85/194384085.db2.gz QOPSKBLMUHAQCW-VXGBXAGGSA-N 1 0 313.195 1.351 10 0 DDAERO O=C1CC[C@H]([NH2+]CCOc2cccc(Br)c2)CN1 ZINC000111020799 194384915 /nfs/dbraw/zinc/38/49/15/194384915.db2.gz XIACQLPHNJBOOW-NSHDSACASA-N 1 0 313.195 1.696 10 0 DDAERO CN(CCC(=O)Nc1ccc(C(N)=S)cc1)CC[NH+](C)C ZINC000111137372 194394463 /nfs/dbraw/zinc/39/44/63/194394463.db2.gz YKUFHOLRNCQFIO-UHFFFAOYSA-N 1 0 308.451 1.143 10 0 DDAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C1 ZINC000058923866 184131668 /nfs/dbraw/zinc/13/16/68/184131668.db2.gz GXJZIFKSNQLLPV-GDBMZVCRSA-N 1 0 311.470 1.631 10 0 DDAERO C[NH2+]C(C)(C)C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000061318722 184168531 /nfs/dbraw/zinc/16/85/31/184168531.db2.gz OFXJFAJWPJYAGU-LBPRGKRZSA-N 1 0 311.451 1.236 10 0 DDAERO Clc1nc(N[C@H]2CC[N@@H+](C3CC3)C2)nc(-n2ccnc2)n1 ZINC000061540927 184173630 /nfs/dbraw/zinc/17/36/30/184173630.db2.gz HVSFSKXJXVTXIY-VIFPVBQESA-N 1 0 305.773 1.359 10 0 DDAERO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](C(N)=S)c1ccccc1 ZINC000061616749 184179305 /nfs/dbraw/zinc/17/93/05/184179305.db2.gz CCGBIQALIGFFFS-TZMCWYRMSA-N 1 0 307.463 1.903 10 0 DDAERO C[NH+](C)C[C@@H]1CCCN1CC(=O)Nc1ccc(Cl)c(N)c1 ZINC000061641656 184180278 /nfs/dbraw/zinc/18/02/78/184180278.db2.gz VWLZGPSGSIQVTF-LBPRGKRZSA-N 1 0 310.829 1.887 10 0 DDAERO C[NH+](C)C[C@@H]1CCCN1CCOc1ccccc1C(N)=S ZINC000061644333 184180421 /nfs/dbraw/zinc/18/04/21/184180421.db2.gz HLJNYXLLGRVYPL-ZDUSSCGKSA-N 1 0 307.463 1.726 10 0 DDAERO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccnc(Cl)c1 ZINC000061644689 184180499 /nfs/dbraw/zinc/18/04/99/184180499.db2.gz RMJYXGQONSMZKF-JTQLQIEISA-N 1 0 303.815 1.450 10 0 DDAERO CCNc1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)ccn1 ZINC000061655966 184180993 /nfs/dbraw/zinc/18/09/93/184180993.db2.gz VDOJCSVFYPJWEK-GFCCVEGCSA-N 1 0 312.439 1.228 10 0 DDAERO CCNc1ncccc1S(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061655959 184181422 /nfs/dbraw/zinc/18/14/22/184181422.db2.gz UTWKLRIVBYIMMS-LBPRGKRZSA-N 1 0 312.439 1.228 10 0 DDAERO [NH3+]Cc1ccccc1CNS(=O)(=O)c1c(F)cccc1F ZINC000061841344 184189526 /nfs/dbraw/zinc/18/95/26/184189526.db2.gz YJJGCILSVKEWIQ-UHFFFAOYSA-N 1 0 312.341 1.902 10 0 DDAERO CC[NH2+]C[C@H]1CC[C@@H](CN2CCN(CC(F)(F)F)CC2)O1 ZINC000061948319 184197769 /nfs/dbraw/zinc/19/77/69/184197769.db2.gz BYIKAMCXGZVXAT-OLZOCXBDSA-N 1 0 309.376 1.323 10 0 DDAERO C[NH2+]Cc1sc(N2CCN(CC(F)(F)F)CC2)nc1C ZINC000061948573 184198440 /nfs/dbraw/zinc/19/84/40/184198440.db2.gz WIZLOIIUUVRRTH-UHFFFAOYSA-N 1 0 308.373 1.855 10 0 DDAERO CNS(=O)(=O)c1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)ccc1C ZINC000061981699 184200019 /nfs/dbraw/zinc/20/00/19/184200019.db2.gz GZMKGFMAZJUBKE-CYBMUJFWSA-N 1 0 309.435 1.552 10 0 DDAERO C[C@H](Cc1ccc(F)cc1)NS(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000062037924 184202658 /nfs/dbraw/zinc/20/26/58/184202658.db2.gz XGNMJXDFQHHFSV-RISCZKNCSA-N 1 0 300.399 1.428 10 0 DDAERO CC(C)(C)[C@H]1CC[C@H](O)[C@H]([NH+]2CCN(S(C)(=O)=O)CC2)C1 ZINC000062085854 184205618 /nfs/dbraw/zinc/20/56/18/184205618.db2.gz GDYPPFASIYCZHA-MJBXVCDLSA-N 1 0 318.483 1.139 10 0 DDAERO CC[C@H](C)NC(=O)N1CCN(C(=O)CC[NH+](CC)CC)CC1 ZINC000062264933 184225862 /nfs/dbraw/zinc/22/58/62/184225862.db2.gz ZLHARTJMWQFLDB-AWEZNQCLSA-N 1 0 312.458 1.371 10 0 DDAERO CCCN[C@H](CC[N@H+](CC)C[C@@H]1CCCO1)C(=O)OCC ZINC000062458589 184238217 /nfs/dbraw/zinc/23/82/17/184238217.db2.gz ZACNZEZEXRQPTK-LSDHHAIUSA-N 1 0 300.443 1.809 10 0 DDAERO Cc1ncc(C[C@@H](C[NH2+]C2CC2)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000062337387 184231143 /nfs/dbraw/zinc/23/11/43/184231143.db2.gz UMTZKBRCIITXFK-NEPJUHHUSA-N 1 0 314.476 1.797 10 0 DDAERO CCOC(=O)[C@@H](NCC[NH+](C)C)c1cc(F)c(F)c(F)c1 ZINC000062718633 184250476 /nfs/dbraw/zinc/25/04/76/184250476.db2.gz DGCIATQKWNSIMW-ZDUSSCGKSA-N 1 0 304.312 1.859 10 0 DDAERO CCS(=O)(=O)CCOc1cccc(C[NH2+]CCOC)c1 ZINC000062731638 184251272 /nfs/dbraw/zinc/25/12/72/184251272.db2.gz JHQFBGISLBCVNC-UHFFFAOYSA-N 1 0 301.408 1.236 10 0 DDAERO CCC[C@@]1(C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)CCC[NH2+]C1 ZINC000062856677 184257191 /nfs/dbraw/zinc/25/71/91/184257191.db2.gz VHQNHTBQIKXQDJ-UKRRQHHQSA-N 1 0 316.467 1.192 10 0 DDAERO COC(=O)CCN(CC(F)(F)F)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062857273 184257215 /nfs/dbraw/zinc/25/72/15/184257215.db2.gz FMTQSBYKFPUYEA-GFCCVEGCSA-N 1 0 310.316 1.330 10 0 DDAERO O=S1(=O)CC[C@@H]([NH2+]CCN2CCC3(CCCC3)CC2)C1 ZINC000062958948 184262465 /nfs/dbraw/zinc/26/24/65/184262465.db2.gz CUADLBNTSGTSPA-CQSZACIVSA-N 1 0 300.468 1.419 10 0 DDAERO CCC[C@@]1(c2nc3cc(S(C)(=O)=O)ccc3[nH]2)CC[NH2+]C1 ZINC000062915217 184259685 /nfs/dbraw/zinc/25/96/85/184259685.db2.gz ZUPOMYXKQPYWDF-OAHLLOKOSA-N 1 0 307.419 1.998 10 0 DDAERO NNc1ccc(Cl)c(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000062943623 184261710 /nfs/dbraw/zinc/26/17/10/184261710.db2.gz MODGMOOKBJQLMJ-SNVBAGLBSA-N 1 0 309.801 1.331 10 0 DDAERO NN=c1[nH]cc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000062943611 184261825 /nfs/dbraw/zinc/26/18/25/184261825.db2.gz BMAOCQOYBFHSJJ-LLVKDONJSA-N 1 0 309.801 1.331 10 0 DDAERO C[C@H]([NH2+]Cc1ccc(O)c(Br)c1)C(=O)N(C)C ZINC000062702010 184247979 /nfs/dbraw/zinc/24/79/79/184247979.db2.gz SWNJACJVYULYNY-QMMMGPOBSA-N 1 0 301.184 1.721 10 0 DDAERO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccnc(Cl)c2)C1 ZINC000062970786 184263816 /nfs/dbraw/zinc/26/38/16/184263816.db2.gz KAHNPEWWNHMCQG-NSHDSACASA-N 1 0 317.842 1.840 10 0 DDAERO c1cc(CC[NH2+]CCN2CC[C@@H](N3CCOCC3)C2)cs1 ZINC000062974918 184263873 /nfs/dbraw/zinc/26/38/73/184263873.db2.gz CLGATCBDPPYWPI-MRXNPFEDSA-N 1 0 309.479 1.287 10 0 DDAERO COc1ccc(C[C@H]([NH3+])CCCS(C)(=O)=O)cc1OC ZINC000063017026 184266849 /nfs/dbraw/zinc/26/68/49/184266849.db2.gz NTXJWGGJSYHUBA-GFCCVEGCSA-N 1 0 301.408 1.398 10 0 DDAERO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)cc1N ZINC000063120253 184271625 /nfs/dbraw/zinc/27/16/25/184271625.db2.gz ICILOEZKKLAHPI-UHFFFAOYSA-N 1 0 315.414 1.370 10 0 DDAERO O=S(=O)(C[C@H]1CCCO1)N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000063156491 184274790 /nfs/dbraw/zinc/27/47/90/184274790.db2.gz FVKIBQXMTHYRIN-UONOGXRCSA-N 1 0 316.467 1.540 10 0 DDAERO CCC[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N1CCCCC1 ZINC000113668616 194608762 /nfs/dbraw/zinc/60/87/62/194608762.db2.gz YMVNMGBACHXOAT-AWEZNQCLSA-N 1 0 303.472 1.571 10 0 DDAERO Cc1cnn(CCNC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000118059658 194866268 /nfs/dbraw/zinc/86/62/68/194866268.db2.gz ODBMELMZRGKIBS-HUUCEWRRSA-N 1 0 321.469 1.859 10 0 DDAERO Cn1cccc1C(=O)N[C@@H]1C[N@H+](CC2CC2)[C@H]2CCCO[C@@H]12 ZINC000248120848 257107771 /nfs/dbraw/zinc/10/77/71/257107771.db2.gz KDJHDGGTQDIRRG-YCPHGPKFSA-N 1 0 303.406 1.397 10 0 DDAERO O=C1CCCN1C[C@@H]1OC[C@H]2CC[N@H+](Cc3ccncc3)C[C@@H]12 ZINC000248069034 257109725 /nfs/dbraw/zinc/10/97/25/257109725.db2.gz XGSYXOSUOZCYFF-ZACQAIPSSA-N 1 0 315.417 1.541 10 0 DDAERO c1cncc(CO[C@@H]2C[N@H+](C[C@@H]3CCOC3)[C@H]3COC[C@H]32)c1 ZINC000247966933 257112856 /nfs/dbraw/zinc/11/28/56/257112856.db2.gz QWORJFGLCWCFGW-VVLHAWIVSA-N 1 0 304.390 1.334 10 0 DDAERO CNC(=O)C[C@@H]1C[C@@H]2C[N@H+](CCOCc3ccccc3)C[C@@H]2O1 ZINC000247984132 257113465 /nfs/dbraw/zinc/11/34/65/257113465.db2.gz YJIGTSJQOKUNEU-IKGGRYGDSA-N 1 0 318.417 1.429 10 0 DDAERO CNC(=O)[C@@H]1C[C@H]2CC[N@H+](CCOCc3ccccc3)C[C@@H]2O1 ZINC000247940506 257113673 /nfs/dbraw/zinc/11/36/73/257113673.db2.gz IKZYUDUNQJGVDQ-IKGGRYGDSA-N 1 0 318.417 1.429 10 0 DDAERO COCCN1CC[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]2C1=O ZINC000247879572 257115529 /nfs/dbraw/zinc/11/55/29/257115529.db2.gz PQPHXKPSSVADID-GDBMZVCRSA-N 1 0 306.381 1.752 10 0 DDAERO COC[C@@]12COC[C@@H]1C[N@H+](Cc1cc(OC)cc(OC)c1)C2 ZINC000247843143 257115827 /nfs/dbraw/zinc/11/58/27/257115827.db2.gz LNZTVUIGFAQKJV-YOEHRIQHSA-N 1 0 307.390 1.799 10 0 DDAERO COC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](OC)c1ccc(Cl)cc1 ZINC000262335158 285385327 /nfs/dbraw/zinc/38/53/27/285385327.db2.gz SBCDRYGFFUXSGP-TVYUQYBPSA-N 1 0 300.786 1.506 10 0 DDAERO C[C@@H]([NH3+])[C@@H]1CCCCN1c1ccc(S(N)(=O)=O)cc1F ZINC000071390752 134422435 /nfs/dbraw/zinc/42/24/35/134422435.db2.gz VNYHENCFKXJBFC-SKDRFNHKSA-N 1 0 301.387 1.179 10 0 DDAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)C2)C12CCOCC2 ZINC000186416712 286397239 /nfs/dbraw/zinc/39/72/39/286397239.db2.gz NHYOBTHHYYATLQ-VHDGCEQUSA-N 1 0 308.422 1.314 10 0 DDAERO [NH3+][C@H](C(=O)Nc1ccc(N2CCCCC2)cn1)C1CCOCC1 ZINC000261638835 407563332 /nfs/dbraw/zinc/56/33/32/407563332.db2.gz DJDUGRUKSRZRPN-INIZCTEOSA-N 1 0 318.421 1.764 10 0 DDAERO COCCc1noc(-c2cccnc2N2CCC([NH3+])CC2)n1 ZINC000070457977 406816750 /nfs/dbraw/zinc/81/67/50/406816750.db2.gz SKBOWTYVJOEJEQ-UHFFFAOYSA-N 1 0 303.366 1.248 10 0 DDAERO COC(=O)C1([NH3+])CCC(NC(=O)OCc2ccccc2)CC1 ZINC000012506095 406846445 /nfs/dbraw/zinc/84/64/45/406846445.db2.gz JNHYRXBFZFGOGG-UHFFFAOYSA-N 1 0 306.362 1.726 10 0 DDAERO C[NH+](C)C[C@H](NC(=O)CNCC(F)(F)F)c1ccccc1 ZINC000078586935 407035022 /nfs/dbraw/zinc/03/50/22/407035022.db2.gz AUVVABKXBIUHQD-LBPRGKRZSA-N 1 0 303.328 1.557 10 0 DDAERO Cn1cc(CCNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)cn1 ZINC000045185528 407040783 /nfs/dbraw/zinc/04/07/83/407040783.db2.gz CCVLMFAARRFJOG-MRXNPFEDSA-N 1 0 315.421 1.565 10 0 DDAERO CCN(CCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)S(C)(=O)=O ZINC000085636229 407103923 /nfs/dbraw/zinc/10/39/23/407103923.db2.gz BCJQXUXGBUSMMY-AVGNSLFASA-N 1 0 304.456 1.061 10 0 DDAERO CC(C)[NH+]1CCN(C(=O)[C@@H](C)NC(=O)Nc2ccccc2)CC1 ZINC000046043521 407052959 /nfs/dbraw/zinc/05/29/59/407052959.db2.gz OMIBUJNJTOJNAT-CQSZACIVSA-N 1 0 318.421 1.749 10 0 DDAERO O=S(=O)(C[C@H]1CC[NH2+]C1)c1cccc(Br)n1 ZINC000095092380 407206947 /nfs/dbraw/zinc/20/69/47/407206947.db2.gz PENLGEXYLJUVOB-QMMMGPOBSA-N 1 0 305.197 1.227 10 0 DDAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000123137874 407320209 /nfs/dbraw/zinc/32/02/09/407320209.db2.gz SLAGTRAYXGAIKG-QRVBRYPASA-N 1 0 324.424 1.934 10 0 DDAERO COc1cc(OC)nc(-c2cc(C)cc3c2O[C@H](C[NH3+])C3)n1 ZINC000067739597 407282464 /nfs/dbraw/zinc/28/24/64/407282464.db2.gz IQYQNRCEUXPLNU-NSHDSACASA-N 1 0 301.346 1.731 10 0 DDAERO CCn1cc(CN2CCCN(C(=O)[C@@H]3CCCOC3)CC2)cn1 ZINC000105831122 407355859 /nfs/dbraw/zinc/35/58/59/407355859.db2.gz CCGBTJADCOSPER-MRXNPFEDSA-N 1 0 320.437 1.364 10 0 DDAERO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869688 407356440 /nfs/dbraw/zinc/35/64/40/407356440.db2.gz HXHDLQPYIHPJEE-OAHLLOKOSA-N 1 0 321.469 1.185 10 0 DDAERO CCCCOC(=O)CC[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105917661 407357590 /nfs/dbraw/zinc/35/75/90/407357590.db2.gz HSBFWDPYBPOHTJ-UHFFFAOYSA-N 1 0 322.453 1.661 10 0 DDAERO COC(=O)c1ccc(CCC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000109272384 407396997 /nfs/dbraw/zinc/39/69/97/407396997.db2.gz IWLOAQYRHSDYPL-HNNXBMFYSA-N 1 0 304.390 1.568 10 0 DDAERO CC[C@](C)(O)C[NH2+]Cc1c(C(C)C)nn(C)c1N1CCOCC1 ZINC000111384908 407409542 /nfs/dbraw/zinc/40/95/42/407409542.db2.gz WJEWDYZZLUPAKZ-KRWDZBQOSA-N 1 0 324.469 1.631 10 0 DDAERO COc1cccc(OCC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000113231054 407476622 /nfs/dbraw/zinc/47/66/22/407476622.db2.gz BWKDRVMISFTAEU-UONOGXRCSA-N 1 0 304.390 1.769 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000113227987 407477659 /nfs/dbraw/zinc/47/76/59/407477659.db2.gz NZZQROVGOFRYPE-GXTWGEPZSA-N 1 0 311.385 1.837 10 0 DDAERO Cc1cccn2c(=O)cc(CN3C[C@@H]4CCC[N@H+]4C[C@@H]3C)nc12 ZINC000113269012 407486047 /nfs/dbraw/zinc/48/60/47/407486047.db2.gz OQPBOEZZAGYNMR-HOCLYGCPSA-N 1 0 312.417 1.671 10 0 DDAERO NC(=O)[C@@H]1C[N@H+](Cc2ccoc2)C[C@H]1COc1ccccc1 ZINC000257197323 407490333 /nfs/dbraw/zinc/49/03/33/407490333.db2.gz ZVTGIZMEHABBAF-GOEBONIOSA-N 1 0 300.358 1.892 10 0 DDAERO CN(C[C@H](O)C(F)(F)F)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000186158401 407590023 /nfs/dbraw/zinc/59/00/23/407590023.db2.gz KHWKIAVQIHKPQO-OLZOCXBDSA-N 1 0 318.339 1.541 10 0 DDAERO CCOc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170843536 407528485 /nfs/dbraw/zinc/52/84/85/407528485.db2.gz LRAILOMRGAXQAT-ZDUSSCGKSA-N 1 0 305.378 1.186 10 0 DDAERO Cc1cccc2nc(CNC(=O)[C@H]([NH3+])C3CCOCC3)cn21 ZINC000261743134 407597411 /nfs/dbraw/zinc/59/74/11/407597411.db2.gz KPMMHVPEAIPNRK-OAHLLOKOSA-N 1 0 302.378 1.013 10 0 DDAERO [NH3+]C1(C(=O)NCc2cc(-c3ccccc3)no2)CCOCC1 ZINC000261747040 407599540 /nfs/dbraw/zinc/59/95/40/407599540.db2.gz DZEPRLXBUUZJNV-UHFFFAOYSA-N 1 0 301.346 1.466 10 0 DDAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C12CCOCC2 ZINC000186205028 407602983 /nfs/dbraw/zinc/60/29/83/407602983.db2.gz PDTCWSSUNOYTIJ-JKSUJKDBSA-N 1 0 318.417 1.849 10 0 DDAERO [NH3+]C[C@@H]1CN(CC(=O)NCC2CCC2)C[C@H]1c1ccccc1 ZINC000261842892 407637477 /nfs/dbraw/zinc/63/74/77/407637477.db2.gz UNLPLHAMYYNXOZ-SJORKVTESA-N 1 0 301.434 1.577 10 0 DDAERO C[C@@H]([NH3+])CCNS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000178911878 407653607 /nfs/dbraw/zinc/65/36/07/407653607.db2.gz 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C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccnn1C ZINC000702761227 699232253 /nfs/dbraw/zinc/23/22/53/699232253.db2.gz BEHCXJGMNJHMTM-SGMGOOAPSA-N 1 0 324.425 1.299 10 0 DDAERO C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccccn1 ZINC000702760969 699232304 /nfs/dbraw/zinc/23/23/04/699232304.db2.gz FXDVZPJRYXWPPO-GUTXKFCHSA-N 1 0 321.421 1.960 10 0 DDAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]C2CCS(=O)CC2)C1 ZINC000711440323 699257816 /nfs/dbraw/zinc/25/78/16/699257816.db2.gz AETPZOWMODWYOR-UHFFFAOYSA-N 1 0 316.467 1.790 10 0 DDAERO O=C(CC(F)(F)C(F)(F)F)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000713191928 699265235 /nfs/dbraw/zinc/26/52/35/699265235.db2.gz CFPUWYKCMKSDLY-JGVFFNPUSA-N 1 0 302.243 1.163 10 0 DDAERO [NH3+]C[C@@H]1C[C@@H](C(=O)NCc2ccccc2Br)CO1 ZINC000713799000 699267132 /nfs/dbraw/zinc/26/71/32/699267132.db2.gz YSRATROILHWCLB-MNOVXSKESA-N 1 0 313.195 1.429 10 0 DDAERO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C1CC(C(N)=O)C1 ZINC000716699419 699284117 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CC1(C)CC(Cc2noc(CN3CCCC[C@H]([NH3+])C3=O)n2)C1 ZINC000888078228 709210331 /nfs/dbraw/zinc/21/03/31/709210331.db2.gz BHQGXVQEFYUICM-LBPRGKRZSA-N 1 0 306.410 1.888 10 0 DDAERO Cn1cc(C[N@@H+]2CCCN(c3nccn4ccnc34)CC2)cn1 ZINC000892372902 710425564 /nfs/dbraw/zinc/42/55/64/710425564.db2.gz YZSCSEZWLIJCTO-UHFFFAOYSA-N 1 0 311.393 1.175 10 0 DDAERO [NH3+][C@H]1c2ccccc2OC[C@H]1Sc1n[nH]c(=O)n1C1CC1 ZINC000081880155 192334502 /nfs/dbraw/zinc/33/45/02/192334502.db2.gz VYIKBZOYYXVEQU-NEPJUHHUSA-N 1 0 304.375 1.459 10 0 DDAERO Cn1c(S[C@@H]2C[C@H](c3ccccc3)CC[C@@H]2[NH3+])n[nH]c1=O ZINC000081880336 192334739 /nfs/dbraw/zinc/33/47/39/192334739.db2.gz DIHWITMMTLEEPX-FRRDWIJNSA-N 1 0 304.419 1.864 10 0 DDAERO C[NH2+][C@H]1c2ccccc2CCC[C@H]1Sc1n[nH]c(=O)n1C ZINC000081880714 192334779 /nfs/dbraw/zinc/33/47/79/192334779.db2.gz UAYHKUMGWVOPPF-OLZOCXBDSA-N 1 0 304.419 1.866 10 0 DDAERO CC(C)(C)OC(=O)N1CCCN(C(=O)CSCC[NH3+])CC1 ZINC000096756283 185386451 /nfs/dbraw/zinc/38/64/51/185386451.db2.gz HWBCRVLJICYSRK-UHFFFAOYSA-N 1 0 317.455 1.148 10 0 DDAERO CC[NH2+][C@@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(F)cc1F ZINC000081932553 192341032 /nfs/dbraw/zinc/34/10/32/192341032.db2.gz BBAXLKWUWBQPCX-YPMHNXCESA-N 1 0 305.346 1.506 10 0 DDAERO COCCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000249308028 282143499 /nfs/dbraw/zinc/14/34/99/282143499.db2.gz DDDQOIDPTFVJOM-ZMSDIMECSA-N 1 0 320.433 1.990 10 0 DDAERO CC[NH2+][C@@](C)(CSc1ncccc1Br)C(N)=O ZINC000079446982 185172079 /nfs/dbraw/zinc/17/20/79/185172079.db2.gz BUQAYRFTBORHLC-NSHDSACASA-N 1 0 318.240 1.790 10 0 DDAERO C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1ccc(S(C)(=O)=O)cc1 ZINC000079520101 185173901 /nfs/dbraw/zinc/17/39/01/185173901.db2.gz VGUOZSOBJAXRGE-ABAIWWIYSA-N 1 0 310.419 1.409 10 0 DDAERO CCC[NH2+][C@@H]1CCC2(C[C@H]1S(=O)(=O)CCC)OCCO2 ZINC000081961324 192346181 /nfs/dbraw/zinc/34/61/81/192346181.db2.gz XKTDLVVTSFKEDY-CHWSQXEVSA-N 1 0 305.440 1.475 10 0 DDAERO CC(C)COc1ccc([C@@H](C[NH3+])[C@@H](O)CS(C)(=O)=O)cc1 ZINC000087381672 185223087 /nfs/dbraw/zinc/22/30/87/185223087.db2.gz QJSAYIPSVCSKMG-CABCVRRESA-N 1 0 315.435 1.169 10 0 DDAERO CCC[C@H](C[NH3+])C(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000087520151 185227750 /nfs/dbraw/zinc/22/77/50/185227750.db2.gz BXKUQHONIBUPED-MRVPVSSYSA-N 1 0 319.814 1.301 10 0 DDAERO CC(C)(C[NH3+])CCS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000087596367 185228880 /nfs/dbraw/zinc/22/88/80/185228880.db2.gz KTCVUYPZMQYECQ-UHFFFAOYSA-N 1 0 319.448 1.239 10 0 DDAERO CC[NH2+][C@@H](CS(=O)(=O)CC(=O)OC)c1cc(C)ccc1C ZINC000081976856 192347871 /nfs/dbraw/zinc/34/78/71/192347871.db2.gz SZUVEGPFIVRFRC-AWEZNQCLSA-N 1 0 313.419 1.542 10 0 DDAERO CCCc1ccc([C@H](CS(=O)(=O)CC(=O)OC)[NH2+]C)cc1 ZINC000081975823 192347891 /nfs/dbraw/zinc/34/78/91/192347891.db2.gz WRJXEPXHGJJWCE-AWEZNQCLSA-N 1 0 313.419 1.487 10 0 DDAERO CCc1noc(C)c1NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000155779065 539210115 /nfs/dbraw/zinc/21/01/15/539210115.db2.gz QEJFBGQEGWMEFL-GFCCVEGCSA-N 1 0 310.398 1.514 10 0 DDAERO CCC[C@@H](C(N)=S)[NH+]1CCN(c2nc(C)cnc2C)CC1 ZINC000088057726 185238173 /nfs/dbraw/zinc/23/81/73/185238173.db2.gz GVIOZJQKAHQJLL-ZDUSSCGKSA-N 1 0 307.467 1.670 10 0 DDAERO Nc1[nH+]c2ccc(Br)cc2n1C[C@@H]1CCC(=O)N1 ZINC000087837691 185233193 /nfs/dbraw/zinc/23/31/93/185233193.db2.gz GCRPMEJWNKYBRI-QMMMGPOBSA-N 1 0 309.167 1.660 10 0 DDAERO CC1(C)C[NH2+]CCN1S(=O)(=O)c1c(F)cc(F)cc1F ZINC000088139425 185240593 /nfs/dbraw/zinc/24/05/93/185240593.db2.gz BVFKZGIQIUBQIV-UHFFFAOYSA-N 1 0 308.325 1.476 10 0 DDAERO O=S(=O)(Cc1ccccc1Br)CC1C[NH2+]C1 ZINC000088091005 185239627 /nfs/dbraw/zinc/23/96/27/185239627.db2.gz ZZGIUCCDUYEUNE-UHFFFAOYSA-N 1 0 304.209 1.583 10 0 DDAERO NS(=O)(=O)c1ccccc1N1CC[NH2+]CC12CCCCC2 ZINC000088396579 185248458 /nfs/dbraw/zinc/24/84/58/185248458.db2.gz WZPIPRWBBFKYLC-UHFFFAOYSA-N 1 0 309.435 1.447 10 0 DDAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N[C@H](CC)COC)o1 ZINC000088551306 185257330 /nfs/dbraw/zinc/25/73/30/185257330.db2.gz HJJICXHPNOPGBS-LLVKDONJSA-N 1 0 304.412 1.483 10 0 DDAERO Nc1c2nccnc2sc1C(=O)NCC[NH+]1CCCCC1 ZINC000088642003 185260907 /nfs/dbraw/zinc/26/09/07/185260907.db2.gz MAVJGUWAQSMWCD-UHFFFAOYSA-N 1 0 305.407 1.489 10 0 DDAERO NC(=O)[C@H]1C[NH2+]CCN1c1ncc(C(F)(F)F)cc1Cl ZINC000088673903 185262234 /nfs/dbraw/zinc/26/22/34/185262234.db2.gz AZHUGZWBIOYKLU-MRVPVSSYSA-N 1 0 308.691 1.017 10 0 DDAERO COc1cccc(COC[C@H](O)C[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000248616346 539272282 /nfs/dbraw/zinc/27/22/82/539272282.db2.gz RQUCWWWNWFTOAF-LXZKKBNFSA-N 1 0 309.406 1.730 10 0 DDAERO COCCC[S@](=O)C[C@H]([NH3+])c1ccc(OC)cc1OC ZINC000081998139 192352501 /nfs/dbraw/zinc/35/25/01/192352501.db2.gz ANIRVTKGNUEVSV-RNODOKPDSA-N 1 0 301.408 1.489 10 0 DDAERO CCCSc1nsc(NC(=O)CN(CC)C2C[NH2+]C2)n1 ZINC000090291839 185289595 /nfs/dbraw/zinc/28/95/95/185289595.db2.gz XYXPPPSRGZGSEF-UHFFFAOYSA-N 1 0 315.468 1.272 10 0 DDAERO O=C(c1csc2ccccc12)N1CCN(C2C[NH2+]C2)CC1 ZINC000090307003 185290234 /nfs/dbraw/zinc/29/02/34/185290234.db2.gz QQDMHWCCSRFKCU-UHFFFAOYSA-N 1 0 301.415 1.631 10 0 DDAERO O=C(c1cccc(Br)c1)N1CCN(C2C[NH2+]C2)CC1 ZINC000090307044 185290235 /nfs/dbraw/zinc/29/02/35/185290235.db2.gz NFAPGRYVZRMKDA-UHFFFAOYSA-N 1 0 324.222 1.179 10 0 DDAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000090312793 185290633 /nfs/dbraw/zinc/29/06/33/185290633.db2.gz VTTYJFIAEYIETJ-TUAOUCFPSA-N 1 0 322.789 1.262 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000090312911 185290699 /nfs/dbraw/zinc/29/06/99/185290699.db2.gz JASNKBCOZHOUOI-UTUOFQBUSA-N 1 0 304.799 1.123 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000090431640 185295930 /nfs/dbraw/zinc/29/59/30/185295930.db2.gz MTQMGFYNWVUBJX-RKDXNWHRSA-N 1 0 300.261 1.181 10 0 DDAERO C[C@@]1(C(=O)NCc2ccc(C(F)(F)F)cc2)COC[C@H]1[NH3+] ZINC000090603559 185306158 /nfs/dbraw/zinc/30/61/58/185306158.db2.gz ZNITVIZZQVPSDC-DGCLKSJQSA-N 1 0 302.296 1.685 10 0 DDAERO COc1ccc2nc(NC(=O)[C@]3(C)COC[C@H]3[NH3+])sc2c1 ZINC000090580770 185304857 /nfs/dbraw/zinc/30/48/57/185304857.db2.gz CWCYDKHUIRNVHK-BXUZGUMPSA-N 1 0 307.375 1.607 10 0 DDAERO CC[NH2+][C@](CO[C@H](C)C(F)(F)F)(C(N)=O)c1ccccc1 ZINC000090674590 185308990 /nfs/dbraw/zinc/30/89/90/185308990.db2.gz JWVCTSXXVYSGSM-MFKMUULPSA-N 1 0 304.312 1.944 10 0 DDAERO CC[NH2+]C[C@@H](C)c1c(C)nn([C@]2(C)CCS(=O)(=O)C2)c1C ZINC000092321808 185312372 /nfs/dbraw/zinc/31/23/72/185312372.db2.gz HKABOVZPEBHCRZ-IAQYHMDHSA-N 1 0 313.467 1.747 10 0 DDAERO Cc1noc(C)c1[C@@H](C)NS(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000092339897 185313038 /nfs/dbraw/zinc/31/30/38/185313038.db2.gz NYJLQCCLWINYDR-ZYHUDNBSSA-N 1 0 301.412 1.414 10 0 DDAERO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(N)cc(F)c1F ZINC000092621929 185330063 /nfs/dbraw/zinc/33/00/63/185330063.db2.gz KPMBHPCRUPQOON-JTQLQIEISA-N 1 0 319.377 1.262 10 0 DDAERO [NH3+]C1CCN(CC(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000092713939 185335992 /nfs/dbraw/zinc/33/59/92/185335992.db2.gz SCLBUEHYLZZQBH-NEPJUHHUSA-N 1 0 307.360 1.647 10 0 DDAERO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000092951935 185350438 /nfs/dbraw/zinc/35/04/38/185350438.db2.gz ASWITNMXSBEDIU-LDYMZIIASA-N 1 0 318.345 1.619 10 0 DDAERO CSc1ccc(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)cc1 ZINC000021520440 190647140 /nfs/dbraw/zinc/64/71/40/190647140.db2.gz XYAJFMNUZXEVAE-NSHDSACASA-N 1 0 302.421 1.109 10 0 DDAERO CCC[NH2+][C@@H](C[C@H]1CCS(=O)(=O)C1)CC1CCOCC1 ZINC000097066934 185405558 /nfs/dbraw/zinc/40/55/58/185405558.db2.gz NWFUSTCQAVCESS-HUUCEWRRSA-N 1 0 303.468 1.996 10 0 DDAERO CC(C)C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)C1CCOCC1 ZINC000111721238 185631891 /nfs/dbraw/zinc/63/18/91/185631891.db2.gz QXEOFKXICYAKSW-AWEZNQCLSA-N 1 0 318.483 1.595 10 0 DDAERO CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1CN(CCO)CC[NH2+]1 ZINC000616634265 362764761 /nfs/dbraw/zinc/76/47/61/362764761.db2.gz PAVASNDUVSBDAM-HNNXBMFYSA-N 1 0 321.421 1.972 10 0 DDAERO CCOC(=O)N1CC[NH2+][C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000616632100 362765202 /nfs/dbraw/zinc/76/52/02/362765202.db2.gz HSOILQPWWFXCIX-LLVKDONJSA-N 1 0 301.387 1.332 10 0 DDAERO O=C(N[C@@H]1CC[NH2+]C1)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000333529712 295761414 /nfs/dbraw/zinc/76/14/14/295761414.db2.gz HVIPNBKPENRZFI-RDBSUJKOSA-N 1 0 309.797 1.831 10 0 DDAERO C[C@@H]1C[N@H+](Cc2cnc(N)s2)CC[C@@H]1NC(=O)C1(C)CC1 ZINC000725273095 539570751 /nfs/dbraw/zinc/57/07/51/539570751.db2.gz ZACPSSVIUYXGMR-PWSUYJOCSA-N 1 0 308.451 1.852 10 0 DDAERO CC(C)NS(=O)(=O)c1ccc(N[C@H]2CCCC[NH2+]C2)cc1 ZINC000070121088 190859501 /nfs/dbraw/zinc/85/95/01/190859501.db2.gz VTAXIBIVQKHCSV-AWEZNQCLSA-N 1 0 311.451 1.927 10 0 DDAERO [NH3+]C[C@@H](Cc1ccn(C2CCCC2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000070324638 190881415 /nfs/dbraw/zinc/88/14/15/190881415.db2.gz DJTLOZUYOGDYKP-CHWSQXEVSA-N 1 0 311.451 1.550 10 0 DDAERO c1cncc(-c2noc(-c3cccnc3N3CCC[NH2+]CC3)n2)c1 ZINC000070458033 190897464 /nfs/dbraw/zinc/89/74/64/190897464.db2.gz GIXJUQUQAIQZPU-UHFFFAOYSA-N 1 0 322.372 1.993 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)N[C@H]2COc3ccccc32)cc1 ZINC000070530128 190905152 /nfs/dbraw/zinc/90/51/52/190905152.db2.gz XJBOJAOQFWQWIW-AWEZNQCLSA-N 1 0 304.371 1.557 10 0 DDAERO CNS(=O)(=O)c1ccccc1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070574397 190906703 /nfs/dbraw/zinc/90/67/03/190906703.db2.gz WBYPTGOWAQIIDL-MNOVXSKESA-N 1 0 311.407 1.051 10 0 DDAERO CCNC(=O)[C@@H](C)Oc1ccc(C[NH3+])cc1Br ZINC000070579961 190907886 /nfs/dbraw/zinc/90/78/86/190907886.db2.gz KAEHNCTXVTVNME-MRVPVSSYSA-N 1 0 301.184 1.811 10 0 DDAERO CN(CCN1CC[NH2+]CC1)c1c(F)c(F)c(F)c(F)c1F ZINC000071151243 190936459 /nfs/dbraw/zinc/93/64/59/190936459.db2.gz IYCMGVSKALKGOA-UHFFFAOYSA-N 1 0 309.282 1.724 10 0 DDAERO CC1CCN(S(=O)(=O)N2CC[C@H]([NH3+])c3ccccc32)CC1 ZINC000071324950 190957777 /nfs/dbraw/zinc/95/77/77/190957777.db2.gz AGWPBXXUUBNMLT-AWEZNQCLSA-N 1 0 309.435 1.873 10 0 DDAERO COc1ccc([C@@H]([NH3+])C[S@@](=O)C2CCOCC2)c(OC)c1 ZINC000084053253 192397592 /nfs/dbraw/zinc/39/75/92/192397592.db2.gz FKNMHTYCIQQKJC-QKKBWIMNSA-N 1 0 313.419 1.631 10 0 DDAERO 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CCOc1cc([C@H](C[NH3+])NCCCO)ccc1OC(F)F ZINC000087929816 185237710 /nfs/dbraw/zinc/23/77/10/185237710.db2.gz GXYOYBSTXRTTDP-NSHDSACASA-N 1 0 304.337 1.659 10 0 DDAERO Nc1nc2ccc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2s1 ZINC000087847329 185233363 /nfs/dbraw/zinc/23/33/63/185233363.db2.gz VCMWNMUCIAVNQZ-NSHDSACASA-N 1 0 302.403 1.799 10 0 DDAERO CCN(C[C@@H]1CCCO1)c1nc(NN)[nH+]cc1Br ZINC000087864487 185233953 /nfs/dbraw/zinc/23/39/53/185233953.db2.gz KQUCEXSRBVQHIN-QMMMGPOBSA-N 1 0 316.203 1.530 10 0 DDAERO Cc1cccnc1CNc1nc(NN)[nH+]cc1Br ZINC000087876761 185234024 /nfs/dbraw/zinc/23/40/24/185234024.db2.gz LTRGBZAOBWKJNZ-UHFFFAOYSA-N 1 0 309.171 1.840 10 0 DDAERO Cc1ncsc1CNc1nc(NN)[nH+]cc1Br ZINC000087876625 185234233 /nfs/dbraw/zinc/23/42/33/185234233.db2.gz QGJJJIHUKSMHEE-UHFFFAOYSA-N 1 0 315.200 1.902 10 0 DDAERO C[C@@H]1CC[C@@H]([NH3+])[C@H](C(=O)N2CCN(CC(F)(F)F)CC2)C1 ZINC000088149532 185240544 /nfs/dbraw/zinc/24/05/44/185240544.db2.gz NCQLMSYLEFXZAG-IJLUTSLNSA-N 1 0 307.360 1.456 10 0 DDAERO CC(C)C[C@H](C[NH3+])CC(=O)N(C)CC(=O)NCC(F)(F)F ZINC000088277290 185244733 /nfs/dbraw/zinc/24/47/33/185244733.db2.gz CSYFENYDNWMJRM-JTQLQIEISA-N 1 0 311.348 1.134 10 0 DDAERO COc1ccc(Br)c(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000088321328 185245401 /nfs/dbraw/zinc/24/54/01/185245401.db2.gz YDNDNIRJDMHRFO-HQJQHLMTSA-N 1 0 315.167 1.119 10 0 DDAERO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N1CCCCc2ccccc21 ZINC000088336041 185246342 /nfs/dbraw/zinc/24/63/42/185246342.db2.gz YJYFVHCJNRTGMI-CYBMUJFWSA-N 1 0 310.419 1.118 10 0 DDAERO CCCc1ccc([C@H]([NH3+])CS(=O)(=O)CCC(=O)OC)cc1 ZINC000081974810 192348420 /nfs/dbraw/zinc/34/84/20/192348420.db2.gz KNSWAEHYPACBAA-CQSZACIVSA-N 1 0 313.419 1.617 10 0 DDAERO CCCCc1nnc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCCO2)s1 ZINC000183146009 539241216 /nfs/dbraw/zinc/24/12/16/539241216.db2.gz XEXXKFWJUWYITH-WDEREUQCSA-N 1 0 312.439 1.976 10 0 DDAERO O=c1c2cc(Br)ccc2ncn1C[C@H]1CCC[NH2+]1 ZINC000088452951 185251836 /nfs/dbraw/zinc/25/18/36/185251836.db2.gz APBTZIADAGNYBW-SNVBAGLBSA-N 1 0 308.179 1.911 10 0 DDAERO CC[C@H](C[NH3+])S(=O)(=O)N1CCN(C)C[C@@H]1c1ccccc1 ZINC000088471866 185251847 /nfs/dbraw/zinc/25/18/47/185251847.db2.gz UHMVMFOAONSFTB-HUUCEWRRSA-N 1 0 311.451 1.042 10 0 DDAERO CC[C@H](C[NH3+])S(=O)(=O)NCc1ccccc1C(F)(F)F ZINC000088473894 185252376 /nfs/dbraw/zinc/25/23/76/185252376.db2.gz OWBYBICSGLBKRU-SNVBAGLBSA-N 1 0 310.341 1.862 10 0 DDAERO COc1ccc(OCC[C@@H](C[NH3+])[C@H]2CCS(=O)(=O)C2)cc1 ZINC000088414487 185249327 /nfs/dbraw/zinc/24/93/27/185249327.db2.gz ZWIYWLIAXPSAOL-STQMWFEESA-N 1 0 313.419 1.474 10 0 DDAERO CCOc1ccccc1OCC[C@@H]([NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000088415721 185249336 /nfs/dbraw/zinc/24/93/36/185249336.db2.gz BUNPNDUXCJBIBB-QWHCGFSZSA-N 1 0 313.419 1.616 10 0 DDAERO [NH3+][C@H]1CCC2(C[C@H]1N1CCC(C(F)(F)F)CC1)OCCO2 ZINC000088419644 185249398 /nfs/dbraw/zinc/24/93/98/185249398.db2.gz OMRPAHFCADWWQU-NWDGAFQWSA-N 1 0 308.344 1.884 10 0 DDAERO COCC[C@H](C)NS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088551415 185257485 /nfs/dbraw/zinc/25/74/85/185257485.db2.gz JBKYUYFBSQSYNA-NSHDSACASA-N 1 0 304.412 1.481 10 0 DDAERO [NH2+]=C1N[C@H](c2cc(Br)c3c(c2)OCCCO3)CO1 ZINC000088532403 185255051 /nfs/dbraw/zinc/25/50/51/185255051.db2.gz VYYYHEVLXWEVOG-VIFPVBQESA-N 1 0 313.151 1.996 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2)o1 ZINC000088543091 185256231 /nfs/dbraw/zinc/25/62/31/185256231.db2.gz HRFTVVCHFGMZDG-UHFFFAOYSA-N 1 0 314.794 1.913 10 0 DDAERO C[C@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(C[NH3+])o1 ZINC000088550687 185257595 /nfs/dbraw/zinc/25/75/95/185257595.db2.gz AKPGNDQYAYNLGF-SNVBAGLBSA-N 1 0 312.366 1.787 10 0 DDAERO Cc1nn(C)c2sc(C(=O)N[C@@H]3CCC[N@H+](C)C3)c(N)c12 ZINC000088641137 185260681 /nfs/dbraw/zinc/26/06/81/185260681.db2.gz XPPJAXYANAUEMC-SECBINFHSA-N 1 0 307.423 1.349 10 0 DDAERO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CNc3nc(CC[NH3+])nn32)C1 ZINC000232498642 539267098 /nfs/dbraw/zinc/26/70/98/539267098.db2.gz PPKQVUQDPOSZGA-QWRGUYRKSA-N 1 0 322.413 1.003 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)CC[C@H]2CCCO2)C1 ZINC000246052608 539269302 /nfs/dbraw/zinc/26/93/02/539269302.db2.gz UPNMYTRQRHXXAY-MGPQQGTHSA-N 1 0 304.456 1.204 10 0 DDAERO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(CO)ccc1F ZINC000088876088 185267900 /nfs/dbraw/zinc/26/79/00/185267900.db2.gz VTYRIPSFUBYWMR-UHFFFAOYSA-N 1 0 316.398 1.033 10 0 DDAERO CC[NH2+][C@@H]1c2ccccc2OC[C@@H]1S(=O)(=O)CCCOC ZINC000081985974 192349849 /nfs/dbraw/zinc/34/98/49/192349849.db2.gz QFGXUHQSKKSMGR-LSDHHAIUSA-N 1 0 313.419 1.550 10 0 DDAERO CCCN(CC[NH+](C)C)S(=O)(=O)c1cc(CO)sc1C ZINC000088895156 185270155 /nfs/dbraw/zinc/27/01/55/185270155.db2.gz ZERALRXBIBXSLC-UHFFFAOYSA-N 1 0 320.480 1.511 10 0 DDAERO C[NH2+][C@H](C[S@](=O)CCS(C)(=O)=O)c1ccc(C)cc1 ZINC000081993101 192352483 /nfs/dbraw/zinc/35/24/83/192352483.db2.gz RXYXFEAIIDEMHC-ACJLOTCBSA-N 1 0 303.449 1.049 10 0 DDAERO CC[NH2+][C@@H](C[S@@](=O)CCS(C)(=O)=O)c1ccccc1 ZINC000081991924 192351916 /nfs/dbraw/zinc/35/19/16/192351916.db2.gz DTOAFQANQMSXFS-SCLBCKFNSA-N 1 0 303.449 1.131 10 0 DDAERO C[C@@H](c1nc2ccccc2s1)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308434 185290117 /nfs/dbraw/zinc/29/01/17/185290117.db2.gz XLCOWNSTZKLBSW-LBPRGKRZSA-N 1 0 302.447 1.947 10 0 DDAERO CCc1nn(C)c(CN2C[C@H]3C[NH2+]C[C@H]3C2)c1Br ZINC000090322525 185290945 /nfs/dbraw/zinc/29/09/45/185290945.db2.gz VHZSFWDQILQKFV-AOOOYVTPSA-N 1 0 313.243 1.396 10 0 DDAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1CC(=O)NCc1ccc(Cl)cc1 ZINC000090327050 185291286 /nfs/dbraw/zinc/29/12/86/185291286.db2.gz YIMKZKJOXMAABW-KYOSRNDESA-N 1 0 307.825 1.496 10 0 DDAERO Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C ZINC000090326299 185291447 /nfs/dbraw/zinc/29/14/47/185291447.db2.gz NGYDVPPTJOSOTQ-SDDRHHMPSA-N 1 0 314.838 1.877 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1CC(=O)N(C)Cc1cccs1 ZINC000090332877 185291482 /nfs/dbraw/zinc/29/14/82/185291482.db2.gz LYFOOLSAWAJCTA-BPLDGKMQSA-N 1 0 307.463 1.636 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1ccc(C)c(F)c1 ZINC000090331747 185291569 /nfs/dbraw/zinc/29/15/69/185291569.db2.gz KXGROVCSPKNEHD-UXIGCNINSA-N 1 0 312.410 1.753 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000090337097 185291842 /nfs/dbraw/zinc/29/18/42/185291842.db2.gz UIHRQWSKTZKRCW-ONGXEEELSA-N 1 0 316.373 1.583 10 0 DDAERO CCS(=O)(=O)c1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2(C)C)cc1 ZINC000090339020 185291880 /nfs/dbraw/zinc/29/18/80/185291880.db2.gz YMCZJGYIIWHRLL-DOMZBBRYSA-N 1 0 308.447 1.914 10 0 DDAERO COC(=O)c1sccc1NC(=O)CSC[C@@H](C)C[NH3+] ZINC000090350350 185292114 /nfs/dbraw/zinc/29/21/14/185292114.db2.gz HRYRFRDUSREFNA-QMMMGPOBSA-N 1 0 302.421 1.801 10 0 DDAERO CCCc1ccc([C@@H]([NH3+])C[S@@](=O)CCS(C)(=O)=O)cc1 ZINC000081992362 192352704 /nfs/dbraw/zinc/35/27/04/192352704.db2.gz SQTDBCDPEPJTJF-IFXJQAMLSA-N 1 0 317.476 1.432 10 0 DDAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cccc(OC(F)F)c1 ZINC000090489316 185298744 /nfs/dbraw/zinc/29/87/44/185298744.db2.gz HVKDJFABUYGBMM-VXGBXAGGSA-N 1 0 300.305 1.851 10 0 DDAERO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@H]1COC[C@H]1[NH3+] ZINC000090381709 185293456 /nfs/dbraw/zinc/29/34/56/185293456.db2.gz WUDFGMMEDRRGSW-GXSJLCMTSA-N 1 0 303.189 1.926 10 0 DDAERO Cc1cc(Br)cc(C)c1NC(=O)[C@@H]1COC[C@H]1[NH3+] ZINC000090379078 185293729 /nfs/dbraw/zinc/29/37/29/185293729.db2.gz AJDBLXZPGWIOKJ-GHMZBOCLSA-N 1 0 313.195 1.978 10 0 DDAERO C[C@H](NC(=O)[C@@H]1COC[C@@H]1[NH3+])c1cccc(C(F)(F)F)c1 ZINC000090380728 185293763 /nfs/dbraw/zinc/29/37/63/185293763.db2.gz QHNBLLNGIOUJOD-AXTRIDKLSA-N 1 0 302.296 1.856 10 0 DDAERO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@@H]1COC[C@H]1[NH3+] ZINC000090381708 185293805 /nfs/dbraw/zinc/29/38/05/185293805.db2.gz WUDFGMMEDRRGSW-MWLCHTKSSA-N 1 0 303.189 1.926 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)NCc1cccc(Br)c1 ZINC000090436749 185296309 /nfs/dbraw/zinc/29/63/09/185296309.db2.gz ODTOUGVZMMRMQH-VXGBXAGGSA-N 1 0 313.195 1.300 10 0 DDAERO CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1COC[C@@H]1[NH2+]C ZINC000090434611 185296437 /nfs/dbraw/zinc/29/64/37/185296437.db2.gz GHYBQBRHRJWWOB-MNOVXSKESA-N 1 0 302.827 1.984 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(Br)c(F)c1 ZINC000090438384 185296661 /nfs/dbraw/zinc/29/66/61/185296661.db2.gz KZHSQLQLNMEFBV-KCJUWKMLSA-N 1 0 317.158 1.761 10 0 DDAERO CCCc1cc(C(=O)N2CCC[C@](O)(C[NH+](C)C)CC2)n(C)n1 ZINC000082107962 192356054 /nfs/dbraw/zinc/35/60/54/192356054.db2.gz JZOAOOFJUTWNEH-QGZVFWFLSA-N 1 0 322.453 1.291 10 0 DDAERO COCCCS(=O)(=O)[C@H]1CCc2ccc(OC)cc2[C@H]1[NH3+] ZINC000092388727 185315336 /nfs/dbraw/zinc/31/53/36/185315336.db2.gz OGODUDMNASTJDS-LSDHHAIUSA-N 1 0 313.419 1.461 10 0 DDAERO CCCc1nn(C)c2c1[nH]c(=S)n2CC[N@H+](C)CCOC ZINC000092580266 185326948 /nfs/dbraw/zinc/32/69/48/185326948.db2.gz NBERAZPOBVAMPE-UHFFFAOYSA-N 1 0 311.455 1.963 10 0 DDAERO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(Cl)ccc1N ZINC000092622349 185329916 /nfs/dbraw/zinc/32/99/16/185329916.db2.gz FJJIAVKXABWQDB-LLVKDONJSA-N 1 0 317.842 1.637 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(NN)cc1 ZINC000092633919 185330523 /nfs/dbraw/zinc/33/05/23/185330523.db2.gz LYPZNWYMQNVHOE-ZDUSSCGKSA-N 1 0 312.439 1.077 10 0 DDAERO C[C@@H](NC(=O)c1cn(C2C[NH2+]C2)nn1)c1ccc(Cl)cc1 ZINC000092701885 185333867 /nfs/dbraw/zinc/33/38/67/185333867.db2.gz JZHIYJFGRUQROV-SECBINFHSA-N 1 0 305.769 1.567 10 0 DDAERO C[NH2+]Cc1[nH]nc(C)c1S(=O)(=O)NC1C(C)(C)C1(C)C ZINC000092833207 185344908 /nfs/dbraw/zinc/34/49/08/185344908.db2.gz DVMFLYGPAVZPIV-UHFFFAOYSA-N 1 0 300.428 1.150 10 0 DDAERO C[NH+](C)C[C@@H]1CN(CCC(=O)OCc2ccccc2)CCO1 ZINC000181453523 199298618 /nfs/dbraw/zinc/29/86/18/199298618.db2.gz SJXXGUDHZISVKS-MRXNPFEDSA-N 1 0 306.406 1.382 10 0 DDAERO CCC[NH2+][C@@H](C)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000111714865 185629684 /nfs/dbraw/zinc/62/96/84/185629684.db2.gz GETFCBGQQCVJRP-ZDUSSCGKSA-N 1 0 311.451 1.870 10 0 DDAERO CNS(=O)(=O)c1ccc(N2CCCC[C@@H]2[C@@H](C)[NH2+]C)cc1 ZINC000111717942 185630484 /nfs/dbraw/zinc/63/04/84/185630484.db2.gz XBMFVQUPGFVWOU-IUODEOHRSA-N 1 0 311.451 1.562 10 0 DDAERO Cc1ccc(C[C@@H](C)C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000181977179 199369653 /nfs/dbraw/zinc/36/96/53/199369653.db2.gz BBQGELDFFIVAGE-NVXWUHKLSA-N 1 0 304.434 1.963 10 0 DDAERO COC(=O)[C@@H]1CCCC[N@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000616627391 362762509 /nfs/dbraw/zinc/76/25/09/362762509.db2.gz AKNIJGVFQAVUJN-GFCCVEGCSA-N 1 0 300.399 1.786 10 0 DDAERO Cn1cnc2c1[C@@](C)(C1CN(C(=O)OC(C)(C)C)C1)[NH2+]CC2 ZINC000725242852 539568510 /nfs/dbraw/zinc/56/85/10/539568510.db2.gz ZVINODIUINZHAC-MRXNPFEDSA-N 1 0 306.410 1.648 10 0 DDAERO COCCn1cnc(C2CC[NH2+]CC2)c(Br)c1=O ZINC000725243515 539568414 /nfs/dbraw/zinc/56/84/14/539568414.db2.gz PDNWBGYHTGURCE-UHFFFAOYSA-N 1 0 316.199 1.119 10 0 DDAERO CCCCS(=O)(=O)N1CCC[C@H]([C@]23CC[C@H]2CC[NH2+]3)C1 ZINC000725263628 539569860 /nfs/dbraw/zinc/56/98/60/539569860.db2.gz XCLSREVBQVGPIW-KKUMJFAQSA-N 1 0 300.468 1.970 10 0 DDAERO Cc1ncsc1CNS(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000071213839 190943663 /nfs/dbraw/zinc/94/36/63/190943663.db2.gz KPNIGMUFHYTJQE-NSHDSACASA-N 1 0 303.453 1.403 10 0 DDAERO CC1(C)C[NH2+][C@H](Cc2ccccc2)CN1CCS(C)(=O)=O ZINC000071353296 190962135 /nfs/dbraw/zinc/96/21/35/190962135.db2.gz DRNZPNNLVJNEHQ-OAHLLOKOSA-N 1 0 310.463 1.326 10 0 DDAERO C[NH2+][C@@H](C[S@](=O)CCOC)c1cc(OC)ccc1OC ZINC000084035724 192396475 /nfs/dbraw/zinc/39/64/75/192396475.db2.gz FFKAWGBIYDKVNF-RBZFPXEDSA-N 1 0 301.408 1.359 10 0 DDAERO [NH3+][C@H](C[S@@](=O)C1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000084054352 192398238 /nfs/dbraw/zinc/39/82/38/192398238.db2.gz JSCZYTAZJWKSEF-ASSNKEHSSA-N 1 0 311.403 1.385 10 0 DDAERO CSCC[C@H]([NH3+])C(=O)Nc1cnc(Br)cn1 ZINC000083891502 192388763 /nfs/dbraw/zinc/38/87/63/192388763.db2.gz MLVSDRRVDYJDSU-LURJTMIESA-N 1 0 305.201 1.258 10 0 DDAERO COc1cc2c(c(F)c1)CN(CCCn1ccnc1)[C@@H]2C[NH3+] ZINC000071683453 191007343 /nfs/dbraw/zinc/00/73/43/191007343.db2.gz CLHKBHXLRUFRPP-MRXNPFEDSA-N 1 0 304.369 1.937 10 0 DDAERO [NH3+]C[C@@H]1c2ccc3ccccc3c2CN1[C@@H]1CCS(=O)(=O)C1 ZINC000071683643 191007645 /nfs/dbraw/zinc/00/76/45/191007645.db2.gz ALKUWTNWSOYTTA-CXAGYDPISA-N 1 0 316.426 1.842 10 0 DDAERO C[C@@H](O)c1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171905782 198004801 /nfs/dbraw/zinc/00/48/01/198004801.db2.gz XLGNOFAVINLMGK-CZUORRHYSA-N 1 0 303.406 1.730 10 0 DDAERO CC(=O)Nc1nc([C@@H]2CCCN(C(=O)C[NH+](C)C)C2)cs1 ZINC000072368191 191138310 /nfs/dbraw/zinc/13/83/10/191138310.db2.gz ZIIPDOLSMXHDFW-LLVKDONJSA-N 1 0 310.423 1.369 10 0 DDAERO Cc1nc2nc(C)c3c(ccn(CCC[NH+](C)C)c3=O)n2n1 ZINC000072449433 191169845 /nfs/dbraw/zinc/16/98/45/191169845.db2.gz OHLMDQLFZXFTHD-UHFFFAOYSA-N 1 0 300.366 1.008 10 0 DDAERO COc1c(C)cnc(CNc2ncnc3c2CC[NH2+]CC3)c1C ZINC000072448049 191170472 /nfs/dbraw/zinc/17/04/72/191170472.db2.gz OWYZPNXYVABCIN-UHFFFAOYSA-N 1 0 313.405 1.797 10 0 DDAERO COC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000172775394 198148143 /nfs/dbraw/zinc/14/81/43/198148143.db2.gz XNPRNAPCTDMWLJ-UKRRQHHQSA-N 1 0 318.373 1.897 10 0 DDAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000130995100 299190206 /nfs/dbraw/zinc/19/02/06/299190206.db2.gz LCHMCAZOZLTCMM-GXTWGEPZSA-N 1 0 304.394 1.536 10 0 DDAERO CCS(=O)(=O)NCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000173366259 198207391 /nfs/dbraw/zinc/20/73/91/198207391.db2.gz AUDCODRDCJFENW-JTQLQIEISA-N 1 0 306.378 1.945 10 0 DDAERO NC(=O)NC(=O)CCC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000174379685 198327885 /nfs/dbraw/zinc/32/78/85/198327885.db2.gz RAVPZUHYAHJHRB-GJZGRUSLSA-N 1 0 319.405 1.550 10 0 DDAERO COc1cccc(NC(=O)CCN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000174786175 198385343 /nfs/dbraw/zinc/38/53/43/198385343.db2.gz OGAMTXMQJJFWSJ-OAHLLOKOSA-N 1 0 303.406 1.804 10 0 DDAERO Cc1ccc(S(=O)(=O)n2ccc3[nH+]c(NN)cnc32)cc1 ZINC000088347002 353753958 /nfs/dbraw/zinc/75/39/58/353753958.db2.gz CLQQMOFYVSCEJZ-UHFFFAOYSA-N 1 0 303.347 1.262 10 0 DDAERO COC[C@H]1C[NH2+]CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC000098185948 353921468 /nfs/dbraw/zinc/92/14/68/353921468.db2.gz QGTWWJOQTOCJIK-GFCCVEGCSA-N 1 0 300.399 1.391 10 0 DDAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 ZINC000148343528 354168928 /nfs/dbraw/zinc/16/89/28/354168928.db2.gz DLWSJLADXXNGAK-RBOXIYTFSA-N 1 0 303.406 1.561 10 0 DDAERO Cn1cc([C@@H]2CCN(C(=O)[C@H]3[NH2+]CCc4ccccc43)C2)cn1 ZINC000169165877 354251148 /nfs/dbraw/zinc/25/11/48/354251148.db2.gz ISSHXOQUTBRXHS-PBHICJAKSA-N 1 0 310.401 1.623 10 0 DDAERO Cn1ncc(NC[C@@H]2CCCC[NH2+]2)c(Br)c1=O ZINC000159202792 354233160 /nfs/dbraw/zinc/23/31/60/354233160.db2.gz XYSGJBLWWSMRFD-QMMMGPOBSA-N 1 0 301.188 1.097 10 0 DDAERO Cc1ccc(F)cc1S(=O)(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000226463396 354319849 /nfs/dbraw/zinc/31/98/49/354319849.db2.gz ITWNUWYIDGPQSR-ZDUSSCGKSA-N 1 0 300.399 1.897 10 0 DDAERO CSC[C@@H](C)C(=O)N1CCO[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000328653149 354559141 /nfs/dbraw/zinc/55/91/41/354559141.db2.gz WTUJECOYMPMLGZ-OCCSQVGLSA-N 1 0 300.468 1.555 10 0 DDAERO CC(C)[C@@H]1Oc2ccc(N)nc2N(CC[C@H]2CCCC[NH2+]2)C1=O ZINC000075259276 191452509 /nfs/dbraw/zinc/45/25/09/191452509.db2.gz FTCZFZFOPIJOBR-DOMZBBRYSA-N 1 0 318.421 1.946 10 0 DDAERO C[C@@H](NC(=O)[C@H]1CCCN1C1CC[NH2+]CC1)c1nccs1 ZINC000080269664 192018980 /nfs/dbraw/zinc/01/89/80/192018980.db2.gz RBWVKPGKCFNPSP-DGCLKSJQSA-N 1 0 308.451 1.537 10 0 DDAERO C[C@@H]1CCC[C@@]([NH3+])(C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000080905255 192198872 /nfs/dbraw/zinc/19/88/72/192198872.db2.gz JFWVVLSBMAZGRF-YGRLFVJLSA-N 1 0 311.407 1.180 10 0 DDAERO CCOC(=O)CCCNS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000081526945 192282770 /nfs/dbraw/zinc/28/27/70/192282770.db2.gz IXGGYDTZVHGCLK-NSHDSACASA-N 1 0 314.407 1.328 10 0 DDAERO [NH3+]C[C@@H](c1cccs1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081530230 192284995 /nfs/dbraw/zinc/28/49/95/192284995.db2.gz FFZSDEUYTHMNRR-QMMMGPOBSA-N 1 0 317.340 1.874 10 0 DDAERO C[C@@H](C[NH2+]C1CC1)CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000081538295 192286267 /nfs/dbraw/zinc/28/62/67/192286267.db2.gz GTXQCVHFJKYCOF-VIFPVBQESA-N 1 0 303.332 1.501 10 0 DDAERO CC[C@](C)(C[NH2+]C)CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000081541291 192286631 /nfs/dbraw/zinc/28/66/31/192286631.db2.gz BXVVRYOOPQLLEW-GFCCVEGCSA-N 1 0 305.348 1.748 10 0 DDAERO CN(CC[NH+]1CCCC1)S(=O)(=O)c1cnc(N)c(Cl)c1 ZINC000081695420 192313833 /nfs/dbraw/zinc/31/38/33/192313833.db2.gz KXPUVPXVWRHELA-UHFFFAOYSA-N 1 0 318.830 1.034 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)nc1 ZINC000088919181 192657905 /nfs/dbraw/zinc/65/79/05/192657905.db2.gz MXEQDODCSGRFPL-STQMWFEESA-N 1 0 311.451 1.858 10 0 DDAERO Cc1nn(CCC[NH3+])c(C)c1S(=O)(=O)N1CCCCC1 ZINC000088921835 192658592 /nfs/dbraw/zinc/65/85/92/192658592.db2.gz JCJHQKLPBVDLNJ-UHFFFAOYSA-N 1 0 300.428 1.023 10 0 DDAERO CCC[NH2+]CCCCS(=O)(=O)N1C[C@H](C)OC[C@@H]1CC ZINC000088990928 192684079 /nfs/dbraw/zinc/68/40/79/192684079.db2.gz FIWYUDLEANJALP-KBPBESRZSA-N 1 0 306.472 1.595 10 0 DDAERO COc1ccc(COCCNC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000179610447 199064401 /nfs/dbraw/zinc/06/44/01/199064401.db2.gz NORFJVOWMMMEKX-OAHLLOKOSA-N 1 0 321.421 1.557 10 0 DDAERO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000180049775 199112220 /nfs/dbraw/zinc/11/22/20/199112220.db2.gz PFENGJXGPZMLNK-NSHDSACASA-N 1 0 321.808 1.930 10 0 DDAERO CC(C)(C)c1noc(CCCC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000185081814 199806706 /nfs/dbraw/zinc/80/67/06/199806706.db2.gz RXGIQTZRLLLQTJ-XQQFMLRXSA-N 1 0 320.437 1.886 10 0 DDAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cnn(Cc2ccccc2)c1 ZINC000180486384 199165206 /nfs/dbraw/zinc/16/52/06/199165206.db2.gz GZYDKWCANSKRNG-MAUKXSAKSA-N 1 0 314.433 1.913 10 0 DDAERO COCC[NH2+]CCNC(=O)c1cccc(Nc2cnccn2)c1 ZINC000237340504 202236531 /nfs/dbraw/zinc/23/65/31/202236531.db2.gz BISXULLKCMBWKJ-UHFFFAOYSA-N 1 0 315.377 1.186 10 0 DDAERO COc1ccc(N(C)S(=O)(=O)c2ccc(C[NH3+])cn2)cc1 ZINC000089014958 192699542 /nfs/dbraw/zinc/69/95/42/192699542.db2.gz YWGGKESILSHNMG-UHFFFAOYSA-N 1 0 307.375 1.374 10 0 DDAERO CC[NH2+]CCCn1nc(C)c(S(=O)(=O)N[C@H]2C[C@H]2C)c1C ZINC000089023733 192703507 /nfs/dbraw/zinc/70/35/07/192703507.db2.gz JGYAGMQITNOIRW-MFKMUULPSA-N 1 0 314.455 1.186 10 0 DDAERO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)NCC2(C)CCCC2)C1 ZINC000089037797 192714090 /nfs/dbraw/zinc/71/40/90/192714090.db2.gz LUYDBLZMILJSMH-ZDUSSCGKSA-N 1 0 303.472 1.333 10 0 DDAERO CC1(C)CCN(S(=O)(=O)c2ccc(OCC[NH3+])cc2)CC1 ZINC000089027049 192706721 /nfs/dbraw/zinc/70/67/21/192706721.db2.gz PGYSPROLQAEMFO-UHFFFAOYSA-N 1 0 312.435 1.835 10 0 DDAERO [NH3+]Cc1csc(S(=O)(=O)N2CCOc3ccccc3C2)c1 ZINC000089034750 192710515 /nfs/dbraw/zinc/71/05/15/192710515.db2.gz ZQNLHARUFLUPID-UHFFFAOYSA-N 1 0 324.427 1.790 10 0 DDAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000237863784 202374497 /nfs/dbraw/zinc/37/44/97/202374497.db2.gz XVZZYMDOCSYXSU-GJZGRUSLSA-N 1 0 301.390 1.989 10 0 DDAERO C[C@@H]([NH3+])CCNC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C ZINC000178681067 296019529 /nfs/dbraw/zinc/01/95/29/296019529.db2.gz HDLNAOABKMKISV-GHMZBOCLSA-N 1 0 301.456 1.178 10 0 DDAERO C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000193455535 201055885 /nfs/dbraw/zinc/05/58/85/201055885.db2.gz RLHUXWIRSNISER-SWLSCSKDSA-N 1 0 320.418 1.291 10 0 DDAERO CCCCOC[C@@H](O)C[NH+]1CCN([C@@H](C)c2cccnc2)CC1 ZINC000195178716 201352834 /nfs/dbraw/zinc/35/28/34/201352834.db2.gz OFMPCWGRKSMNNO-WMZOPIPTSA-N 1 0 321.465 1.938 10 0 DDAERO CCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000246921326 202628758 /nfs/dbraw/zinc/62/87/58/202628758.db2.gz MUVQLQVUVJOSEG-MGPQQGTHSA-N 1 0 304.390 1.802 10 0 DDAERO [NH3+]C1CC(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000091538557 193070538 /nfs/dbraw/zinc/07/05/38/193070538.db2.gz LZHQFGJGRJSDLC-UHFFFAOYSA-N 1 0 308.325 1.721 10 0 DDAERO CSC1(C(N)=S)CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000091488433 193063113 /nfs/dbraw/zinc/06/31/13/193063113.db2.gz NGGBNZLGHKMJQA-UHFFFAOYSA-N 1 0 301.481 1.093 10 0 DDAERO CN1CCO[C@@H](C[NH2+]Cc2ccc(O)c(Br)c2)C1 ZINC000091667713 193088390 /nfs/dbraw/zinc/08/83/90/193088390.db2.gz OWNVTILQOMQDDO-NSHDSACASA-N 1 0 315.211 1.575 10 0 DDAERO CCOC(=O)c1ncsc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091681380 193090173 /nfs/dbraw/zinc/09/01/73/193090173.db2.gz WEYWFAANBMVWKW-GHMZBOCLSA-N 1 0 311.407 1.595 10 0 DDAERO CCS(=O)(=O)CCC[C@H](O)C1([NH+]2CCCC2)CCCC1 ZINC000091640415 193083038 /nfs/dbraw/zinc/08/30/38/193083038.db2.gz NIKDECGUOIJXLN-AWEZNQCLSA-N 1 0 303.468 1.971 10 0 DDAERO O=C(C[NH2+]Cc1cc(=O)c2cccc(F)c2[nH]1)N1CCCC1 ZINC000091950730 193131019 /nfs/dbraw/zinc/13/10/19/193131019.db2.gz LAUVJDGKUIRDPE-UHFFFAOYSA-N 1 0 303.337 1.379 10 0 DDAERO CCS(=O)(=O)CCOc1ccc(C)nc1C[NH2+]C(C)C ZINC000091995583 193138085 /nfs/dbraw/zinc/13/80/85/193138085.db2.gz LTMMJPJIAJUNKW-UHFFFAOYSA-N 1 0 300.424 1.702 10 0 DDAERO CN1CCC[C@@H]([NH2+]Cc2cnc3cnc(Br)cn23)C1 ZINC000092049644 193148623 /nfs/dbraw/zinc/14/86/23/193148623.db2.gz HNDLAYFSZFAFPC-SNVBAGLBSA-N 1 0 324.226 1.676 10 0 DDAERO CN(CC(F)(F)F)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115731 193163388 /nfs/dbraw/zinc/16/33/88/193163388.db2.gz DNJCYDOMXOADPL-UHFFFAOYSA-N 1 0 300.277 1.467 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(C)[C@H](C)COC)c(F)c1 ZINC000092115920 193164025 /nfs/dbraw/zinc/16/40/25/193164025.db2.gz CPXIOOVSBXVGAS-LLVKDONJSA-N 1 0 318.414 1.591 10 0 DDAERO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](CO)Cc1ccc(OC)c(O)c1 ZINC000262095272 203197453 /nfs/dbraw/zinc/19/74/53/203197453.db2.gz BJGVNEACMGBQJK-GHJWDPDVSA-N 1 0 324.421 1.041 10 0 DDAERO C[C@H]1C[C@@H](C(=O)NCC[S@](=O)Cc2ccccc2)CC[NH2+]1 ZINC000262492579 203309109 /nfs/dbraw/zinc/30/91/09/203309109.db2.gz ZPEISLUHRKNWGA-YHQOMNDMSA-N 1 0 308.447 1.440 10 0 DDAERO COCc1cc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)ncn1 ZINC000093318233 193231576 /nfs/dbraw/zinc/23/15/76/193231576.db2.gz DPCRMBKZAQHOLP-DGCLKSJQSA-N 1 0 305.382 1.323 10 0 DDAERO Cc1csc2nc(C)c(C[NH2+]CC(C)(C)S(C)(=O)=O)n12 ZINC000093521058 193263127 /nfs/dbraw/zinc/26/31/27/193263127.db2.gz KUUXQDONCARANJ-UHFFFAOYSA-N 1 0 315.464 1.925 10 0 DDAERO CC(C)(CN1CC[NH2+][C@](C)(c2ccccc2)C1)S(C)(=O)=O ZINC000093525836 193263780 /nfs/dbraw/zinc/26/37/80/193263780.db2.gz UJNAENUKIGICRF-INIZCTEOSA-N 1 0 310.463 1.630 10 0 DDAERO CCC[NH2+][C@H]1CCC[C@H]1CCN1CCN(S(C)(=O)=O)CC1 ZINC000093554671 193267106 /nfs/dbraw/zinc/26/71/06/193267106.db2.gz SNJKRVQDHPOJDP-GJZGRUSLSA-N 1 0 317.499 1.122 10 0 DDAERO CCOC(=O)[C@@]1(NC)CCC[C@H]1CC[N@H+](C)CCCOC ZINC000093593674 193270896 /nfs/dbraw/zinc/27/08/96/193270896.db2.gz AILADKQYFKGUHL-GOEBONIOSA-N 1 0 300.443 1.666 10 0 DDAERO C[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCN(CC(F)(F)F)C1CC1 ZINC000093589917 193271563 /nfs/dbraw/zinc/27/15/63/193271563.db2.gz YOQOIXMEBDIRNR-MFKMUULPSA-N 1 0 307.360 1.647 10 0 DDAERO CC[NH2+][C@@]1(CO)CCC[C@@H]1CCSCCS(C)(=O)=O ZINC000093621984 193275291 /nfs/dbraw/zinc/27/52/91/193275291.db2.gz ZXDUBLIMVUWIGB-CHWSQXEVSA-N 1 0 309.497 1.295 10 0 DDAERO C[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCn1cc(C(F)(F)F)cn1 ZINC000093615691 193275750 /nfs/dbraw/zinc/27/57/50/193275750.db2.gz GPWNWSXAROABQV-SKDRFNHKSA-N 1 0 304.316 1.536 10 0 DDAERO C[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1nccs1 ZINC000093697010 193291870 /nfs/dbraw/zinc/29/18/70/193291870.db2.gz MNLPCESKZFGPEU-QWRGUYRKSA-N 1 0 303.453 1.465 10 0 DDAERO CC[NH2+]C[C@@H]1CCCCN1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697657 193292649 /nfs/dbraw/zinc/29/26/49/193292649.db2.gz UOXZJXOUPKBWEJ-GJZGRUSLSA-N 1 0 317.499 1.122 10 0 DDAERO CC[NH2+][C@@H](C)c1cccn1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093698557 193292853 /nfs/dbraw/zinc/29/28/53/193292853.db2.gz COXZPSPPQQUAMZ-KBPBESRZSA-N 1 0 313.467 1.830 10 0 DDAERO Cc1ccc(C[C@@H]([NH3+])C[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000093700196 193293921 /nfs/dbraw/zinc/29/39/21/193293921.db2.gz VTTJUGPJVZRONC-HZPDHXFCSA-N 1 0 310.463 1.927 10 0 DDAERO CC(C)(C)SC[C@@H]([NH3+])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700466 193294244 /nfs/dbraw/zinc/29/42/44/193294244.db2.gz GHEVWWHFWOBIGI-RYUDHWBXSA-N 1 0 308.513 1.907 10 0 DDAERO CC[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)OC ZINC000093700796 193294861 /nfs/dbraw/zinc/29/48/61/193294861.db2.gz RWJRJNYETALJMC-QWHCGFSZSA-N 1 0 306.472 1.451 10 0 DDAERO CC(C)[NH2+][C@]1(C(N)=O)CCC[C@@H](Sc2nncs2)C1 ZINC000093778022 193304451 /nfs/dbraw/zinc/30/44/51/193304451.db2.gz XTCBHOOEVFDAIU-BXKDBHETSA-N 1 0 300.453 1.795 10 0 DDAERO CC(C)[NH2+][C@@]1(C(N)=O)CC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000093833482 193314936 /nfs/dbraw/zinc/31/49/36/193314936.db2.gz XCTMKPOUIWBQND-SKDRFNHKSA-N 1 0 304.316 1.849 10 0 DDAERO CCn1nc(C)c(Cl)c1C[C@H]([NH3+])[C@@H]1CN(CC)CCO1 ZINC000093913895 193327503 /nfs/dbraw/zinc/32/75/03/193327503.db2.gz JIKIZHJSAYTREX-AAEUAGOBSA-N 1 0 300.834 1.455 10 0 DDAERO CCC[NH2+][C@@H]1[C@@H](CN2CCS(=O)(=O)CC2)CCCC1(C)C ZINC000094286850 193356351 /nfs/dbraw/zinc/35/63/51/193356351.db2.gz AYNGDBQKWAKTHX-HUUCEWRRSA-N 1 0 316.511 1.911 10 0 DDAERO CC(C)Oc1ccc([C@H](C[NH3+])N(C)CCS(C)(=O)=O)cc1 ZINC000094297691 193356732 /nfs/dbraw/zinc/35/67/32/193356732.db2.gz PNKAIYRQVZOZHX-HNNXBMFYSA-N 1 0 314.451 1.450 10 0 DDAERO CCOc1ccc([C@@H](C[NH3+])N(C)CCS(C)(=O)=O)cc1 ZINC000094297843 193356743 /nfs/dbraw/zinc/35/67/43/193356743.db2.gz ZMZMEWPARYFTOO-CQSZACIVSA-N 1 0 300.424 1.062 10 0 DDAERO COc1ccc([C@@H](C)[NH3+])cc1CN(C)CCS(C)(=O)=O ZINC000094298359 193357578 /nfs/dbraw/zinc/35/75/78/193357578.db2.gz XQUXPHGPODLVQU-LLVKDONJSA-N 1 0 300.424 1.191 10 0 DDAERO CN(CCS(C)(=O)=O)Cc1cc(C[NH2+]C(C)(C)C)co1 ZINC000094300948 193358870 /nfs/dbraw/zinc/35/88/70/193358870.db2.gz PTODQZJISWKHLA-UHFFFAOYSA-N 1 0 302.440 1.644 10 0 DDAERO C[NH+](C)[C@H]1CCN(c2nc(C(F)(F)F)ccc2C(N)=O)C1 ZINC000094335302 193360494 /nfs/dbraw/zinc/36/04/94/193360494.db2.gz SCXVPTKMHIMEAE-QMMMGPOBSA-N 1 0 302.300 1.340 10 0 DDAERO CC1(C)C(=O)N([C@H]2CC[NH2+]C3(CCCCC3)C2)S1(=O)=O ZINC000094344422 193362739 /nfs/dbraw/zinc/36/27/39/193362739.db2.gz BGLAGZKRAYSUQM-NSHDSACASA-N 1 0 300.424 1.392 10 0 DDAERO CC[C@H](Oc1c(F)cc(C[NH2+]CCOC)cc1F)C(N)=O ZINC000094348202 193363798 /nfs/dbraw/zinc/36/37/98/193363798.db2.gz OWZGTGSNAQSEAK-LBPRGKRZSA-N 1 0 302.321 1.344 10 0 DDAERO Cc1cc(Br)cnc1N1C[C@@H](O)C[C@@H]1C[NH+](C)C ZINC000094051576 193341320 /nfs/dbraw/zinc/34/13/20/193341320.db2.gz NHPHKBNAJCDZGF-NEPJUHHUSA-N 1 0 314.227 1.654 10 0 DDAERO CC(C)(C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1)S(C)(=O)=O ZINC000094375078 193366658 /nfs/dbraw/zinc/36/66/58/193366658.db2.gz AJLYBHFDPYLIQH-DGCLKSJQSA-N 1 0 307.481 1.454 10 0 DDAERO CC(C)(O)CN1CC[NH+]([C@@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000094411092 193368946 /nfs/dbraw/zinc/36/89/46/193368946.db2.gz CLPGSVPSZPRNGG-ZBFHGGJFSA-N 1 0 314.495 1.430 10 0 DDAERO C[NH2+][C@H](Cc1nc(C(C)(C)C)cs1)[C@@H]1CN2CCN1CC2 ZINC000094509002 193375091 /nfs/dbraw/zinc/37/50/91/193375091.db2.gz IPCMXIYHLRXLGP-OLZOCXBDSA-N 1 0 308.495 1.571 10 0 DDAERO CCC[NH2+][C@H](c1cc(Cl)cnc1N)[C@H]1CN2CCN1CC2 ZINC000094510663 193376094 /nfs/dbraw/zinc/37/60/94/193376094.db2.gz URYGTYVHOKTQFR-ZIAGYGMSSA-N 1 0 309.845 1.358 10 0 DDAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)Nc2ccc(OC(F)F)c(F)c2)O1 ZINC000094567469 193380692 /nfs/dbraw/zinc/38/06/92/193380692.db2.gz OEJANDYBOPXBKB-KWQFWETISA-N 1 0 304.268 1.872 10 0 DDAERO COc1ncnc2c1[nH]c(=S)n2C[C@@H](C)C[NH+]1CCCC1 ZINC000094739191 193394968 /nfs/dbraw/zinc/39/49/68/193394968.db2.gz MNNAXQKWHBFJNK-JTQLQIEISA-N 1 0 307.423 1.856 10 0 DDAERO [NH3+][C@H]1CCCCC[C@@H]1C(=O)N1CCN(c2nccs2)CC1 ZINC000094749137 193395189 /nfs/dbraw/zinc/39/51/89/193395189.db2.gz JZBQUOSQVJBZMY-STQMWFEESA-N 1 0 308.451 1.699 10 0 DDAERO CCC[NH+]1CCN(CC(=O)Nc2ccc(Cl)c(N)c2)CC1 ZINC000021502652 182275532 /nfs/dbraw/zinc/27/55/32/182275532.db2.gz NDMFMNXRVAATAZ-UHFFFAOYSA-N 1 0 310.829 1.888 10 0 DDAERO Cc1cnc(N2C[C@@H](C[NH3+])OC[C@@H]2C)c(Br)c1 ZINC000097847374 193764359 /nfs/dbraw/zinc/76/43/59/193764359.db2.gz TYSLNPMDZXKYFJ-VHSXEESVSA-N 1 0 300.200 1.705 10 0 DDAERO CCOC(=O)c1ccc(NC(=O)C[NH2+]C)c(Br)c1 ZINC000037016891 182861199 /nfs/dbraw/zinc/86/11/99/182861199.db2.gz PTYLTUHYDIJAHC-UHFFFAOYSA-N 1 0 315.167 1.784 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000174583888 248371199 /nfs/dbraw/zinc/37/11/99/248371199.db2.gz SUDYKHBJMSBZIA-ZDUSSCGKSA-N 1 0 311.426 1.406 10 0 DDAERO CC[NH+]1CCC(N(C)S(=O)(=O)c2cnc(Cl)s2)CC1 ZINC000038105820 182990760 /nfs/dbraw/zinc/99/07/60/182990760.db2.gz PBRIWRLYGSRUKD-UHFFFAOYSA-N 1 0 323.871 1.901 10 0 DDAERO CCC[NH2+]CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000039287062 183016328 /nfs/dbraw/zinc/01/63/28/183016328.db2.gz JVRJSIRLYQSYQI-CQSZACIVSA-N 1 0 316.467 1.334 10 0 DDAERO [NH3+]CC1CN([C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000039952180 183023866 /nfs/dbraw/zinc/02/38/66/183023866.db2.gz FOCCGVWNUFVKGJ-INIZCTEOSA-N 1 0 303.406 1.678 10 0 DDAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(NC(C)=O)c(Cl)c2)C1 ZINC000040633021 183111645 /nfs/dbraw/zinc/11/16/45/183111645.db2.gz WSAXOKGJSPGEBQ-ZWNOBZJWSA-N 1 0 311.769 1.614 10 0 DDAERO CCOC1CCN(S(=O)(=O)Cc2ccc(C[NH3+])cc2)CC1 ZINC000040689938 183118726 /nfs/dbraw/zinc/11/87/26/183118726.db2.gz VHRMQTQIMLIEJC-UHFFFAOYSA-N 1 0 312.435 1.476 10 0 DDAERO [NH3+]CCCCNS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000040807089 183135958 /nfs/dbraw/zinc/13/59/58/183135958.db2.gz MOAUGNFIEXKSPL-UHFFFAOYSA-N 1 0 302.787 1.005 10 0 DDAERO CCC[C@@H]([NH3+])C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000040835700 183139905 /nfs/dbraw/zinc/13/99/05/183139905.db2.gz PZXKYAWXMYETMN-GFCCVEGCSA-N 1 0 313.423 1.311 10 0 DDAERO CCCN[C@@](C)(CN(CCC)CC[NH+](C)C)C(=O)OCC ZINC000041674788 183215209 /nfs/dbraw/zinc/21/52/09/183215209.db2.gz AQUFUJWAAWIKJW-INIZCTEOSA-N 1 0 301.475 1.581 10 0 DDAERO CCCN(CC[NH+](C)C)C[C@@](C)(NC(C)C)C(=O)OCC ZINC000041674822 183215403 /nfs/dbraw/zinc/21/54/03/183215403.db2.gz UIGHAARSWSSTLC-MRXNPFEDSA-N 1 0 301.475 1.580 10 0 DDAERO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cnc(Cl)s1 ZINC000041679084 183215834 /nfs/dbraw/zinc/21/58/34/183215834.db2.gz JDWVUCFTROILJE-QMMMGPOBSA-N 1 0 311.860 1.805 10 0 DDAERO CC[NH2+]CCN1C(=O)C(=O)c2cc(F)cc(Br)c21 ZINC000042410644 183264909 /nfs/dbraw/zinc/26/49/09/183264909.db2.gz ZLPHVCUYIGAUFV-UHFFFAOYSA-N 1 0 315.142 1.727 10 0 DDAERO C[C@H]([NH3+])Cc1cccc(Br)c1O[C@@H](C)C(N)=O ZINC000042412826 183266951 /nfs/dbraw/zinc/26/69/51/183266951.db2.gz PUAYCRYZPZJMQK-YUMQZZPRSA-N 1 0 301.184 1.591 10 0 DDAERO CC[NH2+]C[C@H](O)CN(C)Cc1cccc(Br)c1 ZINC000042440480 183270467 /nfs/dbraw/zinc/27/04/67/183270467.db2.gz GLYDCOWKDYCKBI-ZDUSSCGKSA-N 1 0 301.228 1.851 10 0 DDAERO CNC(=O)[C@@H]1CCCN1c1ccc(C(F)(F)F)cc1C[NH3+] ZINC000042390755 183263705 /nfs/dbraw/zinc/26/37/05/183263705.db2.gz BPAHQARIQNOFNR-LBPRGKRZSA-N 1 0 301.312 1.879 10 0 DDAERO CCCN(CC(=O)OC)S(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000042718679 183302166 /nfs/dbraw/zinc/30/21/66/183302166.db2.gz MGOHKDZZMBMTTA-LLVKDONJSA-N 1 0 314.407 1.280 10 0 DDAERO C[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N1CCNC(=O)C1 ZINC000042952059 183320633 /nfs/dbraw/zinc/32/06/33/183320633.db2.gz BIYNVUOSNZCTBA-TVQRCGJNSA-N 1 0 312.211 1.269 10 0 DDAERO CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)CC(N)=O ZINC000043020455 183328510 /nfs/dbraw/zinc/32/85/10/183328510.db2.gz LPKFLAZJSWXWKG-WCQYABFASA-N 1 0 314.227 1.645 10 0 DDAERO CCN(CC(F)(F)F)C(=O)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000042778743 183308115 /nfs/dbraw/zinc/30/81/15/183308115.db2.gz AEEUOPFLEXDDGD-GFCCVEGCSA-N 1 0 307.360 1.614 10 0 DDAERO CCN([C@H](C)COC)S(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000042782198 183308674 /nfs/dbraw/zinc/30/86/74/183308674.db2.gz APNXUWITUYABFK-VXGBXAGGSA-N 1 0 300.424 1.752 10 0 DDAERO C[N@@H+]1CCCN(c2nc3c(cc2C(N)=S)CCCC3)CC1 ZINC000043410794 183359690 /nfs/dbraw/zinc/35/96/90/183359690.db2.gz VYSIOJXBQSSTKW-UHFFFAOYSA-N 1 0 304.463 1.737 10 0 DDAERO C[NH2+][C@H](c1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000043300578 183351932 /nfs/dbraw/zinc/35/19/32/183351932.db2.gz ZLNXBCXHQPQXPE-SKDRFNHKSA-N 1 0 305.346 1.983 10 0 DDAERO C[NH2+][C@H](c1ccc2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000043300708 183352521 /nfs/dbraw/zinc/35/25/21/183352521.db2.gz ZDWYQIZHJPKMTR-SWLSCSKDSA-N 1 0 311.403 1.543 10 0 DDAERO Cc1c(N)cc(S(=O)(=O)NCCCC[NH+](C)C)cc1Cl ZINC000045665294 183522434 /nfs/dbraw/zinc/52/24/34/183522434.db2.gz IJVYGNUVLAERTO-UHFFFAOYSA-N 1 0 319.858 1.851 10 0 DDAERO CN1CCO[C@@H](CNC(=O)NCCc2ccccc2Cl)C1 ZINC000104792716 194039530 /nfs/dbraw/zinc/03/95/30/194039530.db2.gz UGFGSXLUJDSWJB-ZDUSSCGKSA-N 1 0 311.813 1.512 10 0 DDAERO CC[C@@H]1CN(CC(=O)NCCC(C)(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000105827475 194137458 /nfs/dbraw/zinc/13/74/58/194137458.db2.gz IGURRSQUWQELKQ-HUUCEWRRSA-N 1 0 313.486 1.316 10 0 DDAERO CC(C)NC(=O)CC[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105803762 194131616 /nfs/dbraw/zinc/13/16/16/194131616.db2.gz DRXJGNFTTKEQRZ-CQSZACIVSA-N 1 0 305.426 1.292 10 0 DDAERO C=CC(=O)NCc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC)C2)cc1 ZINC000105807808 194133229 /nfs/dbraw/zinc/13/32/29/194133229.db2.gz ZTJYATWRABEUPI-INIZCTEOSA-N 1 0 315.417 1.703 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2cc(C(=O)OC)co2)C[C@@H]1C ZINC000105835638 194141937 /nfs/dbraw/zinc/14/19/37/194141937.db2.gz SOJIUZZSSKKQFU-ZDUSSCGKSA-N 1 0 310.394 1.609 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2nnnn2C(C)C)C[C@@H]1CC ZINC000105838595 194144780 /nfs/dbraw/zinc/14/47/80/194144780.db2.gz KXSKTHUAZHUJKI-AWEZNQCLSA-N 1 0 310.446 1.187 10 0 DDAERO CC(C)n1ccnc1CN1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000105866392 194150743 /nfs/dbraw/zinc/15/07/43/194150743.db2.gz ZQPXPUSXLIMYOH-UHFFFAOYSA-N 1 0 316.453 1.905 10 0 DDAERO CCCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCc2nc(CC)nn2C1 ZINC000105873216 194152672 /nfs/dbraw/zinc/15/26/72/194152672.db2.gz WVBSAAPOTAIADP-QWHCGFSZSA-N 1 0 307.442 1.440 10 0 DDAERO CC[C@@H]1CN(C[C@H](O)COC(C)(C)C)CC[N@@H+]1CCOC ZINC000105914526 194169665 /nfs/dbraw/zinc/16/96/65/194169665.db2.gz RNIUPNUOYIDAFR-CABCVRRESA-N 1 0 302.459 1.205 10 0 DDAERO Cc1ccccc1CN(C)C(=O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000105926051 194171406 /nfs/dbraw/zinc/17/14/06/194171406.db2.gz WKMSUOKUKFVUOR-KRWDZBQOSA-N 1 0 319.449 1.216 10 0 DDAERO Cc1ccc(CNC(=O)[C@H](C)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000105926724 194173357 /nfs/dbraw/zinc/17/33/57/194173357.db2.gz PLRYKRMZWUOGMO-DOTOQJQBSA-N 1 0 319.449 1.262 10 0 DDAERO COCC[N@@H+]1CCN(Cc2ccc(F)cc2C(=O)OC)C[C@@H]1C ZINC000106107067 194185662 /nfs/dbraw/zinc/18/56/62/194185662.db2.gz FATREXGFUBRYPS-ZDUSSCGKSA-N 1 0 324.396 1.765 10 0 DDAERO CN(C)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCCCC1 ZINC000106431935 194213810 /nfs/dbraw/zinc/21/38/10/194213810.db2.gz HQGHHCBGYYLZHH-QGZVFWFLSA-N 1 0 303.450 1.761 10 0 DDAERO O=S(=O)(C[C@@H]1CCC[NH2+]C1)NCCc1ccc(F)cc1 ZINC000049632553 183749932 /nfs/dbraw/zinc/74/99/32/183749932.db2.gz UMBQJEJIKJRYJB-CYBMUJFWSA-N 1 0 300.399 1.287 10 0 DDAERO [NH3+]CC1(N2CC[C@H](c3ccccc3)C2)CCS(=O)(=O)CC1 ZINC000050598487 183790180 /nfs/dbraw/zinc/79/01/80/183790180.db2.gz NUTZFHPSGRODMO-HNNXBMFYSA-N 1 0 308.447 1.382 10 0 DDAERO C[NH+](C)[C@@H]1CCN(c2nc3c(cc2C(N)=S)CCCC3)C1 ZINC000110278352 194319387 /nfs/dbraw/zinc/31/93/87/194319387.db2.gz REYSQDOGSDDXGV-GFCCVEGCSA-N 1 0 304.463 1.735 10 0 DDAERO C[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)cc2N)CC1(C)C ZINC000110704294 194351793 /nfs/dbraw/zinc/35/17/93/194351793.db2.gz ZHIAZDKIJNFHPJ-UHFFFAOYSA-N 1 0 310.829 1.887 10 0 DDAERO Cc1ccc(C)c(C(=O)NC2CC[NH+](CC(N)=S)CC2)c1 ZINC000110825847 194361850 /nfs/dbraw/zinc/36/18/50/194361850.db2.gz ZQGKOGYJLSSWQJ-UHFFFAOYSA-N 1 0 305.447 1.784 10 0 DDAERO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CNC(=O)C2)c1 ZINC000110871544 194365288 /nfs/dbraw/zinc/36/52/88/194365288.db2.gz JDLJKVRBSYYSMH-HNNXBMFYSA-N 1 0 303.406 1.279 10 0 DDAERO CCCN(Cc1cc(=O)n2ncsc2n1)[C@H]1CCC[NH2+]C1 ZINC000110946059 194373656 /nfs/dbraw/zinc/37/36/56/194373656.db2.gz METOQJRYRPBGLU-LBPRGKRZSA-N 1 0 307.423 1.115 10 0 DDAERO CN(CC1CCOCC1)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000111167061 194398144 /nfs/dbraw/zinc/39/81/44/194398144.db2.gz AAENKAYEXGKJJV-UHFFFAOYSA-N 1 0 312.435 1.334 10 0 DDAERO C[C@@H](CNC1=NS(=O)(=O)c2ccccc21)C[NH+]1CCCC1 ZINC000058123981 184077524 /nfs/dbraw/zinc/07/75/24/184077524.db2.gz DMMCLKBRKKVTKP-LBPRGKRZSA-N 1 0 307.419 1.457 10 0 DDAERO CCCCN(C(=O)C[C@H](C)[NH2+]CC)[C@@H]1CCS(=O)(=O)C1 ZINC000061271925 184167207 /nfs/dbraw/zinc/16/72/07/184167207.db2.gz UHYHZZZELRSIBS-QWHCGFSZSA-N 1 0 304.456 1.190 10 0 DDAERO COCC[N@H+](C)CCNc1ccc(Cl)cc1C(N)=S ZINC000061381090 184170181 /nfs/dbraw/zinc/17/01/81/184170181.db2.gz QXDDHUPNRQFXJV-UHFFFAOYSA-N 1 0 301.843 1.964 10 0 DDAERO C[N@@H+]1CCC[C@H](CNc2nc(Cl)nc(N3CCCC3)n2)C1 ZINC000061540812 184173639 /nfs/dbraw/zinc/17/36/39/184173639.db2.gz ZKEXVJHOSGYUEF-LLVKDONJSA-N 1 0 310.833 1.879 10 0 DDAERO COCCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000061626720 184179213 /nfs/dbraw/zinc/17/92/13/184179213.db2.gz OWNSCDGJPPJYCV-SNVBAGLBSA-N 1 0 304.312 1.946 10 0 DDAERO C[NH+](C)CCN1CCN(CCNc2ccccc2Cl)CC1 ZINC000061655390 184180845 /nfs/dbraw/zinc/18/08/45/184180845.db2.gz CYXQPXGNGNRKCP-UHFFFAOYSA-N 1 0 310.873 1.931 10 0 DDAERO C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000061950885 184198508 /nfs/dbraw/zinc/19/85/08/184198508.db2.gz GGAULHWVRHBZMO-WOPDTQHZSA-N 1 0 307.360 1.456 10 0 DDAERO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000062011131 184201038 /nfs/dbraw/zinc/20/10/38/184201038.db2.gz AGFRFYNDOLLJGC-LLVKDONJSA-N 1 0 309.797 1.291 10 0 DDAERO CC[NH+]1CCN(C(=O)/C=C/c2cc3ccccc3[nH]c2=O)CC1 ZINC000062070876 184204494 /nfs/dbraw/zinc/20/44/94/184204494.db2.gz HBEQFKORTMOOLY-BQYQJAHWSA-N 1 0 311.385 1.705 10 0 DDAERO C[NH+](C)CCC(=O)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000062127044 184207358 /nfs/dbraw/zinc/20/73/58/184207358.db2.gz PBMICFJIHIHCSE-UHFFFAOYSA-N 1 0 307.369 1.062 10 0 DDAERO C[NH+](C)CCC(=O)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000062127086 184207393 /nfs/dbraw/zinc/20/73/93/184207393.db2.gz YQMISQYUQQXJLI-UHFFFAOYSA-N 1 0 323.824 1.576 10 0 DDAERO C[C@H](C(=O)N1CCN(C(=O)CC[NH+](C)C)CC1)C1CCCC1 ZINC000062138406 184208017 /nfs/dbraw/zinc/20/80/17/184208017.db2.gz ZQUYAWOTPHOGKP-AWEZNQCLSA-N 1 0 309.454 1.435 10 0 DDAERO CCNC(=O)CCOc1ccc(C[NH2+]CCOC)cc1Cl ZINC000062730553 184251609 /nfs/dbraw/zinc/25/16/09/184251609.db2.gz CHEUDNNCFAURLP-UHFFFAOYSA-N 1 0 314.813 1.981 10 0 DDAERO CN(c1ccc(C(N)=[NH2+])cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000062794054 184253041 /nfs/dbraw/zinc/25/30/41/184253041.db2.gz SOPIKRLBEQCPJD-SECBINFHSA-N 1 0 301.799 1.247 10 0 DDAERO C[C@]1(C(=O)Nc2ccccc2S(=O)(=O)C(F)F)CC[NH2+]C1 ZINC000062893431 184258937 /nfs/dbraw/zinc/25/89/37/184258937.db2.gz CLKLTGASRURTBN-ZDUSSCGKSA-N 1 0 318.345 1.621 10 0 DDAERO CNC(=O)CCOc1ccc(C[NH2+]C)cc1Br ZINC000062700803 184247746 /nfs/dbraw/zinc/24/77/46/184247746.db2.gz MRHFPFLJSKFDFZ-UHFFFAOYSA-N 1 0 301.184 1.683 10 0 DDAERO CCNC(=O)CCOc1ccc(CC[NH3+])cc1Br ZINC000062703695 184248175 /nfs/dbraw/zinc/24/81/75/184248175.db2.gz FMIPJGVXHPFFNN-UHFFFAOYSA-N 1 0 315.211 1.855 10 0 DDAERO C[C@@H](C(=O)Nc1cc(Cl)ccc1N)N1CC[C@H]([NH+](C)C)C1 ZINC000062963773 184262922 /nfs/dbraw/zinc/26/29/22/184262922.db2.gz WBQXNFQCXRMVBW-JQWIXIFHSA-N 1 0 310.829 1.885 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(Br)c(N)c2)C1 ZINC000062964326 184263111 /nfs/dbraw/zinc/26/31/11/184263111.db2.gz GWAWSBIRDPKXBX-JTQLQIEISA-N 1 0 312.211 1.807 10 0 DDAERO CC[NH2+]Cc1cccc(OC)c1OCCCS(C)(=O)=O ZINC000063014385 184266643 /nfs/dbraw/zinc/26/66/43/184266643.db2.gz MWIHESMXSMAHJG-UHFFFAOYSA-N 1 0 301.408 1.618 10 0 DDAERO [NH3+]C[C@H](CO)c1ccc(F)cc1S(=O)(=O)C(F)(F)F ZINC000063065396 184269301 /nfs/dbraw/zinc/26/93/01/184269301.db2.gz UGYSEGOSNGENNW-ZCFIWIBFSA-N 1 0 301.261 1.154 10 0 DDAERO Cc1csc(CCNC(=O)c2c[nH+]c(NN)c(Cl)c2)n1 ZINC000063141498 184273201 /nfs/dbraw/zinc/27/32/01/184273201.db2.gz IODMSYNEWUGCNV-UHFFFAOYSA-N 1 0 311.798 1.758 10 0 DDAERO [NH3+][C@@H]1CCC[C@@H]1N1C(=O)c2ccc(Br)cc2C1=O ZINC000063178172 184276677 /nfs/dbraw/zinc/27/66/77/184276677.db2.gz OKUWKVRMDKNTOY-MNOVXSKESA-N 1 0 309.163 1.925 10 0 DDAERO C[N@@H+]1C[C@H](NC(=O)c2cc(-c3ccccc3)on2)C[C@H]1CO ZINC000065508016 184357012 /nfs/dbraw/zinc/35/70/12/184357012.db2.gz IUQKYXVRZAWCLS-OLZOCXBDSA-N 1 0 301.346 1.136 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C)Cc1ccccc1 ZINC000113267793 194576089 /nfs/dbraw/zinc/57/60/89/194576089.db2.gz SSMYESMBECPKTL-DOTOQJQBSA-N 1 0 301.434 1.814 10 0 DDAERO CSc1ccc(Cl)c(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000424058920 532963479 /nfs/dbraw/zinc/96/34/79/532963479.db2.gz OJOSXIYJMLSHSQ-QWHCGFSZSA-N 1 0 312.822 1.875 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)NCc2cc(F)ccc2F)CCO1 ZINC000117046207 194793713 /nfs/dbraw/zinc/79/37/13/194793713.db2.gz YJGFJHCGLWRNGF-CYBMUJFWSA-N 1 0 313.348 1.437 10 0 DDAERO COc1cc[nH+]c(N2CCN(C(=O)C[C@H](O)C(C)C)CC2)c1 ZINC000159056086 197322525 /nfs/dbraw/zinc/32/25/25/197322525.db2.gz IFRGJRLUIUFQAP-AWEZNQCLSA-N 1 0 307.394 1.146 10 0 DDAERO CC(=O)c1ccc(NC(=O)CN2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000155307370 197042707 /nfs/dbraw/zinc/04/27/07/197042707.db2.gz LJDCYXUISPVPDS-MRXNPFEDSA-N 1 0 319.405 1.090 10 0 DDAERO CC(=O)c1cccc(NC(=O)CN2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000155289828 197040200 /nfs/dbraw/zinc/04/02/00/197040200.db2.gz QSOYQGUYMBKUHO-INIZCTEOSA-N 1 0 319.405 1.090 10 0 DDAERO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CN(c3cccnc3)C(=O)[C@@H]2C1 ZINC000251982949 257106784 /nfs/dbraw/zinc/10/67/84/257106784.db2.gz GKWQJCSBWAEXIT-CZUORRHYSA-N 1 0 312.373 1.781 10 0 DDAERO Cn1cc(C[C@@H]2[C@@H](O)CC[N@@H+]2Cc2ccc3c(c2)OCO3)cn1 ZINC000248159613 257108156 /nfs/dbraw/zinc/10/81/56/257108156.db2.gz WXNWFBGULIQLQC-CABCVRRESA-N 1 0 315.373 1.327 10 0 DDAERO Cn1cc(CN2CCO[C@H]3C[N@@H+](C4CCCC4)C[C@H]3C2)cn1 ZINC000248093665 257109117 /nfs/dbraw/zinc/10/91/17/257109117.db2.gz COIBOYJLJLBDQY-WBVHZDCISA-N 1 0 304.438 1.495 10 0 DDAERO COCCNC(=O)[C@]12CCO[C@H]1CC[N@H+](Cc1ccsc1)C2 ZINC000247848966 257117516 /nfs/dbraw/zinc/11/75/16/257117516.db2.gz NXXLZNKUJHXQIJ-HOCLYGCPSA-N 1 0 324.446 1.492 10 0 DDAERO Fc1ccc(C[N@@H+]2C[C@H](N3CCOCC3)[C@@H]3OCCC[C@H]32)cc1 ZINC000503716870 257210009 /nfs/dbraw/zinc/21/00/09/257210009.db2.gz JATZKSZCKPKRBF-FGTMMUONSA-N 1 0 320.408 1.890 10 0 DDAERO c1ccc2c(c1)C=C(C[N@@H+]1CC[C@@H](N3CCOCC3)C1)CO2 ZINC000121023319 195282061 /nfs/dbraw/zinc/28/20/61/195282061.db2.gz VNQBWJRYJXWICL-QGZVFWFLSA-N 1 0 300.402 1.869 10 0 DDAERO COCCOc1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1 ZINC000121073769 195290795 /nfs/dbraw/zinc/29/07/95/195290795.db2.gz AUTXJRNFNGGSIJ-KRWDZBQOSA-N 1 0 320.433 1.618 10 0 DDAERO C[C@@H]1CC[C@@H](C[NH3+])CN1c1ccccc1S(=O)(=O)N(C)C ZINC000053704519 134770997 /nfs/dbraw/zinc/77/09/97/134770997.db2.gz WAKRACRUOKPKCL-OLZOCXBDSA-N 1 0 311.451 1.501 10 0 DDAERO COC(=O)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000186023790 407564781 /nfs/dbraw/zinc/56/47/81/407564781.db2.gz WYVNJRKVYVVDAQ-AVGNSLFASA-N 1 0 312.410 1.785 10 0 DDAERO C[NH+](C)Cc1ccc(N2CCN(C(=O)C(C)(C)C)CC2)nc1 ZINC000114415257 407570275 /nfs/dbraw/zinc/57/02/75/407570275.db2.gz LKUJKZRQXPMCET-UHFFFAOYSA-N 1 0 304.438 1.838 10 0 DDAERO [NH3+]C[C@@H](c1ccc2c(c1)OCO2)S(=O)(=O)c1cccs1 ZINC000008037357 406775199 /nfs/dbraw/zinc/77/51/99/406775199.db2.gz QUUKYIGWCXNAPU-LBPRGKRZSA-N 1 0 311.384 1.951 10 0 DDAERO C[C@@H]1C[C@@H]1NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000075978198 406948498 /nfs/dbraw/zinc/94/84/98/406948498.db2.gz ZXPHKKYPHVYBGA-WBVHZDCISA-N 1 0 316.449 1.512 10 0 DDAERO CS(=O)(=O)Nc1cccc(NC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000054308752 407182332 /nfs/dbraw/zinc/18/23/32/407182332.db2.gz HUHMGYXXWNFPDO-NSHDSACASA-N 1 0 311.407 1.386 10 0 DDAERO C[C@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)[C@@H]1CCCO1 ZINC000054764643 407189352 /nfs/dbraw/zinc/18/93/52/407189352.db2.gz GWBDKHXASYTYMT-HOCLYGCPSA-N 1 0 305.422 1.985 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccc(-n2ccnn2)c1 ZINC000123071050 407318375 /nfs/dbraw/zinc/31/83/75/407318375.db2.gz HUWYMMOFBXFEEW-OAHLLOKOSA-N 1 0 315.421 1.973 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@]2(O)CCc3ccccc32)C1 ZINC000123119271 407319887 /nfs/dbraw/zinc/31/98/87/407319887.db2.gz IYZRRPZXSWYVEE-CRAIPNDOSA-N 1 0 317.433 1.604 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)NCc2nc(C3CC3)cs2)CCO1 ZINC000123235576 407323895 /nfs/dbraw/zinc/32/38/95/407323895.db2.gz PTFDNTLVECUDNI-GFCCVEGCSA-N 1 0 324.450 1.493 10 0 DDAERO O=C(CC[N@@H+]1CCCN(c2cccnn2)CC1)NC1CCCC1 ZINC000105800260 407355336 /nfs/dbraw/zinc/35/53/36/407355336.db2.gz CHJKOEZUQLWTJB-UHFFFAOYSA-N 1 0 317.437 1.438 10 0 DDAERO COC[C@@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000103359826 407337613 /nfs/dbraw/zinc/33/76/13/407337613.db2.gz AZMAFDMTIDOVCN-CQSZACIVSA-N 1 0 305.422 1.968 10 0 DDAERO CN1CCO[C@@H](C[NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000111229663 407401784 /nfs/dbraw/zinc/40/17/84/407401784.db2.gz KPBDBQGKWNESRI-GXTWGEPZSA-N 1 0 323.824 1.366 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnn(C)c1-n1cccc1 ZINC000113224705 407476433 /nfs/dbraw/zinc/47/64/33/407476433.db2.gz UGZKUEIROPXRDD-UONOGXRCSA-N 1 0 313.405 1.520 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)NC1CCCCC1 ZINC000113231285 407477393 /nfs/dbraw/zinc/47/73/93/407477393.db2.gz LYJRNZPGLQCELG-DZGCQCFKSA-N 1 0 322.453 1.313 10 0 DDAERO Cc1cc(F)ccc1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113305547 407493196 /nfs/dbraw/zinc/49/31/96/407493196.db2.gz GHWTXNJPEQFXQJ-JSGCOSHPSA-N 1 0 312.410 1.991 10 0 DDAERO CNC(=O)[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(C)C ZINC000178420990 407450400 /nfs/dbraw/zinc/45/04/00/407450400.db2.gz ORAIOCMWSDKLFZ-OAHLLOKOSA-N 1 0 324.469 1.463 10 0 DDAERO C[C@@H](Cc1ccccc1Cl)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000151518035 407451360 /nfs/dbraw/zinc/45/13/60/407451360.db2.gz USZOIRBHDQLPRJ-GXTWGEPZSA-N 1 0 310.825 1.965 10 0 DDAERO CCCNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](CC)C2)C1 ZINC000195334756 407453318 /nfs/dbraw/zinc/45/33/18/407453318.db2.gz KMCNQQMZSHRAAS-LSDHHAIUSA-N 1 0 324.469 1.419 10 0 DDAERO CCOC(=O)[C@H]1C(=O)COC12CC[NH+](Cc1ccccc1)CC2 ZINC000222269574 407553861 /nfs/dbraw/zinc/55/38/61/407553861.db2.gz BKDLLVICVUNNEG-MRXNPFEDSA-N 1 0 317.385 1.800 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1nccn1C(F)F ZINC000113611301 407517617 /nfs/dbraw/zinc/51/76/17/407517617.db2.gz PGCYHGHKMJFEHB-GHMZBOCLSA-N 1 0 313.352 1.656 10 0 DDAERO CC(=O)N1CCC(CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000113617818 407519343 /nfs/dbraw/zinc/51/93/43/407519343.db2.gz ZMCIVDZAWKHKBR-CZUORRHYSA-N 1 0 322.453 1.123 10 0 DDAERO CN(Cc1noc(CN)n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261547040 407539683 /nfs/dbraw/zinc/53/96/83/407539683.db2.gz LQMJNSANDGBBFC-UHFFFAOYSA-N 1 0 315.421 1.625 10 0 DDAERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)C=C3CCC3)CC2)C1 ZINC000152033424 407549125 /nfs/dbraw/zinc/54/91/25/407549125.db2.gz DZVPIVPSUHZFSG-KRWDZBQOSA-N 1 0 321.465 1.350 10 0 DDAERO CS(=O)(=O)N1CCN(C[C@@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC000261821318 407627957 /nfs/dbraw/zinc/62/79/57/407627957.db2.gz ILARDAXJWCSOJY-CQSZACIVSA-N 1 0 323.462 1.268 10 0 DDAERO c1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc2c1OCC2 ZINC000261845196 407637247 /nfs/dbraw/zinc/63/72/47/407637247.db2.gz AREDJMYCEGVWBX-KSZLIROESA-N 1 0 316.445 1.911 10 0 DDAERO [NH3+]C1(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)CCOCC1 ZINC000261868085 407648557 /nfs/dbraw/zinc/64/85/57/407648557.db2.gz NTOASRUEZFPCES-OAHLLOKOSA-N 1 0 320.389 1.691 10 0 DDAERO Cc1cccc(NC[C@@H]2CCN(c3ncnc4nc[nH]c43)C2)[nH+]1 ZINC000171365399 407670230 /nfs/dbraw/zinc/67/02/30/407670230.db2.gz QACXNPNMFCUPKX-LBPRGKRZSA-N 1 0 309.377 1.995 10 0 DDAERO COc1ccc(C2CCN(C(=O)C3([NH3+])CCOCC3)CC2)cc1 ZINC000261929978 407679497 /nfs/dbraw/zinc/67/94/97/407679497.db2.gz WDKXGNZVSUMFJA-UHFFFAOYSA-N 1 0 318.417 1.909 10 0 DDAERO C[C@H](NC(=O)C1(C[NH3+])CCOCC1)c1ccc2c(c1)CC(=O)N2 ZINC000261954363 407688741 /nfs/dbraw/zinc/68/87/41/407688741.db2.gz OSONOMOGLQQENV-NSHDSACASA-N 1 0 317.389 1.114 10 0 DDAERO FC(F)Cn1cc(N[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cn1 ZINC000261967317 407694834 /nfs/dbraw/zinc/69/48/34/407694834.db2.gz QECFSYHQTIUDGS-XQQFMLRXSA-N 1 0 300.353 1.717 10 0 DDAERO O=C(Nc1ccc(Cl)cc1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171586058 407709686 /nfs/dbraw/zinc/70/96/86/407709686.db2.gz PDCWTFGKZVMLCE-ZDUSSCGKSA-N 1 0 307.781 1.585 10 0 DDAERO COc1cc(Br)ccc1C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000234803267 407713353 /nfs/dbraw/zinc/71/33/53/407713353.db2.gz PMKKYIZFEAEDPK-KWQFWETISA-N 1 0 313.195 1.877 10 0 DDAERO COC[C@@H]([NH3+])C(=O)NCc1ccc(OCc2ccccn2)cc1 ZINC000262189598 407763015 /nfs/dbraw/zinc/76/30/15/407763015.db2.gz CDOPSPKYCQZODO-MRXNPFEDSA-N 1 0 315.373 1.251 10 0 DDAERO COC[C@H]([NH3+])C(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000262210616 407765351 /nfs/dbraw/zinc/76/53/51/407765351.db2.gz DXHSQABLHZIWDP-HNNXBMFYSA-N 1 0 305.422 1.083 10 0 DDAERO CC(=O)Nc1ccc(F)c(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000116786906 407776579 /nfs/dbraw/zinc/77/65/79/407776579.db2.gz RSWSPTQWNLONMD-ZDUSSCGKSA-N 1 0 323.368 1.187 10 0 DDAERO CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)C1(C[NH3+])CCOCC1 ZINC000262278999 407781533 /nfs/dbraw/zinc/78/15/33/407781533.db2.gz NSKZJIDWQAQNSB-KBPBESRZSA-N 1 0 312.454 1.699 10 0 DDAERO CC[C@@H]1CN(C(=O)C2(CCOC)CCC2)CC[N@@H+]1C[C@@H](C)O ZINC000132434327 407784188 /nfs/dbraw/zinc/78/41/88/407784188.db2.gz FLYIOPHRUHJSDL-HUUCEWRRSA-N 1 0 312.454 1.497 10 0 DDAERO CCc1ccc(CCC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000116788684 407777689 /nfs/dbraw/zinc/77/76/89/407777689.db2.gz JUAVFGYESCWQII-QGZVFWFLSA-N 1 0 304.434 1.971 10 0 DDAERO COC[C@@H]([NH3+])C(=O)NCc1ccc(OC)c(OC2CCCC2)c1 ZINC000262343462 407805434 /nfs/dbraw/zinc/80/54/34/407805434.db2.gz SYBXXVTVUUOLFD-CQSZACIVSA-N 1 0 322.405 1.607 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)NCCCc2ccccc2)CCO1 ZINC000117023926 407806028 /nfs/dbraw/zinc/80/60/28/407806028.db2.gz DHVITHWWQIAYIT-INIZCTEOSA-N 1 0 305.422 1.591 10 0 DDAERO COc1cccc(CCNC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000117030191 407807568 /nfs/dbraw/zinc/80/75/68/407807568.db2.gz VDWRUEFJSIASJI-MRXNPFEDSA-N 1 0 321.421 1.210 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N[C@H]1CCc2c1cccc2Br ZINC000262380674 407820206 /nfs/dbraw/zinc/82/02/06/407820206.db2.gz XTUZLJBEAVYLNX-NEPJUHHUSA-N 1 0 313.195 1.526 10 0 DDAERO [NH3+][C@@H]1CC[C@H]2CN(CC(=O)NCCc3ccc(F)cc3)C[C@H]12 ZINC000262393442 407822738 /nfs/dbraw/zinc/82/27/38/407822738.db2.gz BNTOJAXNZZNRDW-CWRNSKLLSA-N 1 0 305.397 1.154 10 0 DDAERO CC[C@@H]1CN(C(=O)Cc2ccc(OC)cc2)CC[N@@H+]1CCOC ZINC000117306856 407826711 /nfs/dbraw/zinc/82/67/11/407826711.db2.gz WWCDMRBMZNBUAG-MRXNPFEDSA-N 1 0 320.433 1.807 10 0 DDAERO CC[C@H]1CN(C(=O)Cc2ccccc2F)CC[N@@H+]1CCOC ZINC000117306896 407827231 /nfs/dbraw/zinc/82/72/31/407827231.db2.gz GZGSTIVMQJHFEB-HNNXBMFYSA-N 1 0 308.397 1.937 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000133280518 407830468 /nfs/dbraw/zinc/83/04/68/407830468.db2.gz PIJJOOVZDZSWKY-KFWWJZLASA-N 1 0 324.469 1.415 10 0 DDAERO [NH3+][C@@H]1CC[C@H]2CN(CC(=O)N3CCSc4ccccc43)C[C@H]12 ZINC000262554881 407865670 /nfs/dbraw/zinc/86/56/70/407865670.db2.gz TYPCDOVWCODQEX-MELADBBJSA-N 1 0 317.458 1.794 10 0 DDAERO CCCN(C(=O)CNC(=O)Nc1cccc(C)c1)[C@H]1CC[NH2+]C1 ZINC000262563083 407867935 /nfs/dbraw/zinc/86/79/35/407867935.db2.gz APPYZNAMQSEVAB-HNNXBMFYSA-N 1 0 318.421 1.717 10 0 DDAERO 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DDAERO CCOCC[N@@H+]1CCN(Cc2cc(C(=O)OC)c(C)o2)C[C@H]1C ZINC000247591009 408495660 /nfs/dbraw/zinc/49/56/60/408495660.db2.gz JPZNHXPPXKXTCR-CYBMUJFWSA-N 1 0 324.421 1.917 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccccc1OCC(N)=O ZINC000177027673 408499730 /nfs/dbraw/zinc/49/97/30/408499730.db2.gz KJJILXJDAKDYGV-CYBMUJFWSA-N 1 0 319.405 1.107 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC000191684904 408471177 /nfs/dbraw/zinc/47/11/77/408471177.db2.gz SZLZJXIVQKQGDF-WFASDCNBSA-N 1 0 304.394 1.421 10 0 DDAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]C[C@H](O)CN1CCOCC1 ZINC000183208910 306709899 /nfs/dbraw/zinc/70/98/99/306709899.db2.gz LLWSBUHYWXIQEM-FUHWJXTLSA-N 1 0 318.461 1.983 10 0 DDAERO CCOCC[N@@H+]1CCN(c2ncccc2C(=O)OCC)C[C@@H]1C ZINC000184110600 408548996 /nfs/dbraw/zinc/54/89/96/408548996.db2.gz NFHYBZXOAJQQAH-AWEZNQCLSA-N 1 0 321.421 1.805 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000248391109 408554586 /nfs/dbraw/zinc/55/45/86/408554586.db2.gz CPHIKCXPAXMJDY-CABCVRRESA-N 1 0 304.438 1.775 10 0 DDAERO C[C@@H]1C[N@H+](Cc2cn3ccccc3n2)C[C@@H]1N1CCOCC1 ZINC000177231284 408557179 /nfs/dbraw/zinc/55/71/79/408557179.db2.gz UQPFPXGHRCGGDI-ZBFHGGJFSA-N 1 0 300.406 1.487 10 0 DDAERO Cc1cc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cnc1Cl ZINC000177248596 408563690 /nfs/dbraw/zinc/56/36/90/408563690.db2.gz RVANYQKUPNLYGL-GFCCVEGCSA-N 1 0 322.796 1.289 10 0 DDAERO Cc1cccc(S(=O)(=O)CCCN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000184209036 408572182 /nfs/dbraw/zinc/57/21/82/408572182.db2.gz RSTNJJUUJDEGIJ-MRXNPFEDSA-N 1 0 322.474 1.939 10 0 DDAERO Cc1noc(CC[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000177302426 408575516 /nfs/dbraw/zinc/57/55/16/408575516.db2.gz IKHYNQDTFDBOLH-UHFFFAOYSA-N 1 0 310.398 1.910 10 0 DDAERO COCC[S@@](=O)Cc1cccc(NC(=O)[C@@H]([NH3+])C(C)C)c1 ZINC000160866501 408533048 /nfs/dbraw/zinc/53/30/48/408533048.db2.gz MTAQTQXOVRKACF-QKKBWIMNSA-N 1 0 312.435 1.504 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CN2CCCCCCC2=O)C1 ZINC000177139814 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Cc1cccn2c(C[N@H+]3C[C@H](C)[C@H](N4CCOCC4)C3)cnc12 ZINC000180231629 162753082 /nfs/dbraw/zinc/75/30/82/162753082.db2.gz QBVNSRIIQOZGAE-DOTOQJQBSA-N 1 0 314.433 1.795 10 0 DDAERO CC(C)COC[C@H](O)C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249560464 408743677 /nfs/dbraw/zinc/74/36/77/408743677.db2.gz LLHDFAQDJGNWIJ-XHSDSOJGSA-N 1 0 313.463 1.789 10 0 DDAERO Cn1ccnc1[C@H]1CN(C(=O)c2ccc3[nH]cnc3c2)CCN1C ZINC000275779059 408675218 /nfs/dbraw/zinc/67/52/18/408675218.db2.gz RQQCOPKRSVGTBQ-OAHLLOKOSA-N 1 0 324.388 1.425 10 0 DDAERO O=C(Nc1ccc(F)c(F)c1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177682006 408684656 /nfs/dbraw/zinc/68/46/56/408684656.db2.gz YWBCSLFQZKRVFW-LLVKDONJSA-N 1 0 309.316 1.210 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc(=O)n2c(C)csc2n1 ZINC000177701969 408689242 /nfs/dbraw/zinc/68/92/42/408689242.db2.gz HRQOYEGODVXXOE-AWEZNQCLSA-N 1 0 320.462 1.981 10 0 DDAERO O=c1c2ccccc2ncn1CCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177752337 408700681 /nfs/dbraw/zinc/70/06/81/408700681.db2.gz SHIFCYLVXNEQSR-OAHLLOKOSA-N 1 0 312.417 1.567 10 0 DDAERO Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c(C)c1 ZINC000249183970 408703128 /nfs/dbraw/zinc/70/31/28/408703128.db2.gz NRYSETFUKGPFCL-CABCVRRESA-N 1 0 315.417 1.937 10 0 DDAERO CCc1noc([C@@H](C)N2CCN(CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000162995369 408751191 /nfs/dbraw/zinc/75/11/91/408751191.db2.gz SZVHRQBOUNAXNL-HUUCEWRRSA-N 1 0 321.469 1.795 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(OC)c(OC)c2)C1 ZINC000194311294 408777354 /nfs/dbraw/zinc/77/73/54/408777354.db2.gz WIFFKHQVRPQQPK-AWEZNQCLSA-N 1 0 321.421 1.987 10 0 DDAERO COC[C@H]([NH2+][C@H]1CCc2nc(C(C)C)nn2C1)C1CCOCC1 ZINC000188184110 163044206 /nfs/dbraw/zinc/04/42/06/163044206.db2.gz IPUZWADCMYNDFK-GJZGRUSLSA-N 1 0 322.453 1.748 10 0 DDAERO C[C@@H]1C(=O)NCCC[N@H+]1CCC(=O)NCc1ccccc1Cl ZINC000189278412 163093146 /nfs/dbraw/zinc/09/31/46/163093146.db2.gz VAQFWCSRJBYUQE-GFCCVEGCSA-N 1 0 323.824 1.557 10 0 DDAERO CC(C)(CNC(=O)N1CC(NC(=O)C2CC2)C1)[NH+]1CCCCC1 ZINC000189964137 163125988 /nfs/dbraw/zinc/12/59/88/163125988.db2.gz KKMGKUDQNRZUCH-UHFFFAOYSA-N 1 0 322.453 1.171 10 0 DDAERO CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCCO)CC1 ZINC000190508284 163144525 /nfs/dbraw/zinc/14/45/25/163144525.db2.gz QHTOKRGCTRIEQL-AWEZNQCLSA-N 1 0 300.443 1.497 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nnnn1CC(F)(F)F ZINC000191000786 163168738 /nfs/dbraw/zinc/16/87/38/163168738.db2.gz ZJNQEZYAZHOFBU-WDEREUQCSA-N 1 0 318.347 1.294 10 0 DDAERO C[C@@H](CNC(=O)N1CCCNC(=O)[C@H]1C)C[NH+]1CCCCC1 ZINC000191450363 163187536 /nfs/dbraw/zinc/18/75/36/163187536.db2.gz ZUPUXRKAWNIPJW-UONOGXRCSA-N 1 0 310.442 1.028 10 0 DDAERO O=C1CCCN1C[C@@H](O)C[NH+]1CCC(c2ccncc2)CC1 ZINC000191623008 163194560 /nfs/dbraw/zinc/19/45/60/163194560.db2.gz CVISQVVYXUDFJQ-INIZCTEOSA-N 1 0 303.406 1.244 10 0 DDAERO CCn1cnnc1[C@H]1CCC[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000191979731 163212525 /nfs/dbraw/zinc/21/25/25/163212525.db2.gz WYDJVRRQWOTOAY-KBPBESRZSA-N 1 0 318.421 1.963 10 0 DDAERO O=C(c1cccc2c1OCCO2)N1CCN2CCCC[C@@H]2C1 ZINC000195050961 163304248 /nfs/dbraw/zinc/30/42/48/163304248.db2.gz NGIORDOXOHDFPC-CYBMUJFWSA-N 1 0 302.374 1.768 10 0 DDAERO O=C(CNC(=O)OCc1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195338955 163318433 /nfs/dbraw/zinc/31/84/33/163318433.db2.gz GVLVBXYKTSGIDG-OAHLLOKOSA-N 1 0 317.389 1.219 10 0 DDAERO Cc1cc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)ccc1C(N)=O ZINC000246902477 163525206 /nfs/dbraw/zinc/52/52/06/163525206.db2.gz FQXOHKFUQVFSHZ-OCCSQVGLSA-N 1 0 316.405 1.794 10 0 DDAERO C[NH2+][C@@H](C)Cc1noc(C[C@@H]2Sc3ccccc3NC2=O)n1 ZINC000261722486 163691512 /nfs/dbraw/zinc/69/15/12/163691512.db2.gz JQLBMACUVIMRSC-CABZTGNLSA-N 1 0 318.402 1.876 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000262129508 163773548 /nfs/dbraw/zinc/77/35/48/163773548.db2.gz GIUUDTNZIQABKU-IUODEOHRSA-N 1 0 322.836 1.848 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)C1(c2cccs2)CCCCC1 ZINC000262364847 163814719 /nfs/dbraw/zinc/81/47/19/163814719.db2.gz VOHBMRMTCGBSFK-CHWSQXEVSA-N 1 0 308.447 1.647 10 0 DDAERO Cn1cc(C[N@H+](C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)cn1 ZINC000284965565 409378053 /nfs/dbraw/zinc/37/80/53/409378053.db2.gz WSKIHCGSIJLNLE-DOTOQJQBSA-N 1 0 316.453 1.669 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@](C)(O)c2ccco2)C1 ZINC000132438772 196256430 /nfs/dbraw/zinc/25/64/30/196256430.db2.gz CPEBGYWLWFWDPE-WWGRRREGSA-N 1 0 309.410 1.515 10 0 DDAERO Cc1ccccc1C[C@@H](C)NC(=O)NC[C@@H](C)N1CCOCC1 ZINC000194448791 418543501 /nfs/dbraw/zinc/54/35/01/418543501.db2.gz CUJJGCWNTYROLL-HZPDHXFCSA-N 1 0 319.449 1.946 10 0 DDAERO CNC(=O)[C@H]([NH2+][C@H]1CCN(c2ccccc2OC)C1=O)C(C)C ZINC000192735203 222134638 /nfs/dbraw/zinc/13/46/38/222134638.db2.gz VSJFXLJFSFPYEJ-SWLSCSKDSA-N 1 0 319.405 1.161 10 0 DDAERO C[C@@H]1CCN(Cc2c(Br)cnn2C)[C@@H](C[NH3+])C1 ZINC000261542473 287593653 /nfs/dbraw/zinc/59/36/53/287593653.db2.gz CGNUHJBNQYPDCN-NXEZZACHSA-N 1 0 301.232 1.742 10 0 DDAERO CC[NH2+][C@H](C)CNc1ccc(I)cn1 ZINC000420249285 420167642 /nfs/dbraw/zinc/16/76/42/420167642.db2.gz RHTNUOLLUMGUMD-MRVPVSSYSA-N 1 0 305.163 1.518 10 0 DDAERO O=C(Cc1c(Cl)cccc1Cl)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424055118 420309921 /nfs/dbraw/zinc/30/99/21/420309921.db2.gz HWLHFINLJJNCAA-QWHCGFSZSA-N 1 0 315.200 1.735 10 0 DDAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495602455 421034005 /nfs/dbraw/zinc/03/40/05/421034005.db2.gz MMMQQYAONBBMRG-DMDPSCGWSA-N 1 0 311.426 1.499 10 0 DDAERO C[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2Cl)C[C@@H]1C[NH3+] ZINC000631968354 421985527 /nfs/dbraw/zinc/98/55/27/421985527.db2.gz UKNQIKINCHCFBM-BDAKNGLRSA-N 1 0 306.790 1.694 10 0 DDAERO CO[C@@H]1CN(Cc2cncc(Br)c2)[C@@](C)(C[NH3+])C1 ZINC000630359314 422046236 /nfs/dbraw/zinc/04/62/36/422046236.db2.gz CJQZNDKQFHEMTP-QWHCGFSZSA-N 1 0 314.227 1.782 10 0 DDAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000638010328 422552362 /nfs/dbraw/zinc/55/23/62/422552362.db2.gz JEHWKBLKQICEOY-IXDOHACOSA-N 1 0 319.449 1.113 10 0 DDAERO 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C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cn(C)nc1Br ZINC000713880504 699267956 /nfs/dbraw/zinc/26/79/56/699267956.db2.gz MSFWQLXJKFFXNZ-ZYHUDNBSSA-N 1 0 313.243 1.851 10 0 DDAERO C[C@@H]1[C@H]([NH2+]C[C@H]2CC(=O)N(C)C2)CCN1Cc1ccccc1 ZINC000722741351 699320147 /nfs/dbraw/zinc/32/01/47/699320147.db2.gz DFWGZVYZRYCPEA-DJIMGWMZSA-N 1 0 301.434 1.717 10 0 DDAERO CN1CCC[C@@H]1c1cc(C(=O)N[C@@H]2CCCn3ncnc32)[nH]n1 ZINC000896893111 708174694 /nfs/dbraw/zinc/17/46/94/708174694.db2.gz OZRJYPDGLSTULF-ZWNOBZJWSA-N 1 0 315.381 1.033 10 0 DDAERO CC(=O)N1C[C@H]([NH2+]Cc2cnn(C)c2)CC[C@@H]1C(F)(F)F ZINC000886038057 708686855 /nfs/dbraw/zinc/68/68/55/708686855.db2.gz DKPUUJUMZVENEZ-VXGBXAGGSA-N 1 0 304.316 1.452 10 0 DDAERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)C(=O)Cc2ccon2)C1 ZINC000886094208 708697294 /nfs/dbraw/zinc/69/72/94/708697294.db2.gz UJHDXOUMZOEPEG-ZNMIVQPWSA-N 1 0 307.394 1.317 10 0 DDAERO CO[C@@H]1C[N@H+](Cc2ccnn2C(C)C)C[C@H]1c1cn(C)nn1 ZINC000888078532 709210208 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DDAERO CCC[NH2+][C@H]1CCOC[C@H]1S(=O)(=O)c1ccc(OC)cc1 ZINC000081923256 192340226 /nfs/dbraw/zinc/34/02/26/192340226.db2.gz AGGSQVOPLVASGA-LSDHHAIUSA-N 1 0 313.419 1.626 10 0 DDAERO [NH3+][C@@H]1CCCC[C@H]1S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000081936197 192342060 /nfs/dbraw/zinc/34/20/60/192342060.db2.gz PHKCOEVFOSWWIE-IUODEOHRSA-N 1 0 311.403 1.892 10 0 DDAERO Cc1cnc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)s1 ZINC000249404068 282150476 /nfs/dbraw/zinc/15/04/76/282150476.db2.gz VXZZRSPQZLSHLF-KOLCDFICSA-N 1 0 310.423 1.235 10 0 DDAERO C[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)[C@@H](C(=O)OC)C1 ZINC000079025988 185147369 /nfs/dbraw/zinc/14/73/69/185147369.db2.gz BGXMDTSDUZOVKO-UONOGXRCSA-N 1 0 306.362 1.549 10 0 DDAERO C[C@H](CC[NH3+])CCC(=O)Nc1cccc(NS(C)(=O)=O)c1 ZINC000079119430 185159431 /nfs/dbraw/zinc/15/94/31/185159431.db2.gz WSEQGSBLMMPYLM-NSHDSACASA-N 1 0 313.423 1.762 10 0 DDAERO CC[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)S(=O)(=O)CCOC ZINC000081944460 192345367 /nfs/dbraw/zinc/34/53/67/192345367.db2.gz VWVLJQWGNKHWQB-WFASDCNBSA-N 1 0 315.435 1.796 10 0 DDAERO CC(C)([C@@H](O)[C@@H](C[NH3+])c1ccc(F)cc1Cl)S(C)(=O)=O ZINC000087380787 185223225 /nfs/dbraw/zinc/22/32/25/185223225.db2.gz VIIAOKZWRPGYBB-JQWIXIFHSA-N 1 0 323.817 1.706 10 0 DDAERO CC[C@@H](C[NH3+])NS(=O)(=O)c1cc(C(=O)OC)ccc1Cl ZINC000087386467 185223408 /nfs/dbraw/zinc/22/34/08/185223408.db2.gz JTBAGISKTNULBI-VIFPVBQESA-N 1 0 320.798 1.142 10 0 DDAERO CC(C)[C@H](C[NH3+])NS(=O)(=O)c1ccccc1Br ZINC000087404593 185223837 /nfs/dbraw/zinc/22/38/37/185223837.db2.gz DRFQJCKQSJIPBO-JTQLQIEISA-N 1 0 321.240 1.711 10 0 DDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1sccc1Br ZINC000087575729 185228531 /nfs/dbraw/zinc/22/85/31/185228531.db2.gz TWPGGOZRBYUECF-HTQZYQBOSA-N 1 0 303.225 1.982 10 0 DDAERO Brc1ccsc1C[NH2+]CC[C@@H]1COCCN1 ZINC000087575986 185228610 /nfs/dbraw/zinc/22/86/10/185228610.db2.gz WMXJUSGRGHUOOH-SECBINFHSA-N 1 0 305.241 1.979 10 0 DDAERO COC(=O)CS(=O)(=O)[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000081976482 192347561 /nfs/dbraw/zinc/34/75/61/192347561.db2.gz LTMRCELJRZQELE-MELADBBJSA-N 1 0 311.403 1.238 10 0 DDAERO NNc1nc(OCC(F)(F)C(F)F)c(Br)c[nH+]1 ZINC000087876870 185234142 /nfs/dbraw/zinc/23/41/42/185234142.db2.gz VYIIVMQOALKLDY-UHFFFAOYSA-N 1 0 319.056 1.804 10 0 DDAERO CCOC(=O)[C@@H]1CSCCN1C(=O)C[C@@H](C[NH3+])CC(C)C ZINC000088277092 185244743 /nfs/dbraw/zinc/24/47/43/185244743.db2.gz CLFUUFPWVHZDTQ-STQMWFEESA-N 1 0 316.467 1.505 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1OC)C(C)C ZINC000183676068 539243027 /nfs/dbraw/zinc/24/30/27/539243027.db2.gz FMQORIGGJKGTPO-BLLLJJGKSA-N 1 0 321.421 1.233 10 0 DDAERO C[C@@H](NS(=O)(=O)[C@@H](C)C[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000088471902 185252041 /nfs/dbraw/zinc/25/20/41/185252041.db2.gz NSBKWVGSGUQLPO-FVBHSKPUSA-N 1 0 300.468 1.858 10 0 DDAERO CCOC1CCN(S(=O)(=O)c2ccc(C[NH2+]C)o2)CC1 ZINC000088544030 185256823 /nfs/dbraw/zinc/25/68/23/185256823.db2.gz HYVCQKLRYPZALR-UHFFFAOYSA-N 1 0 302.396 1.189 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ncc(Br)s2)C1 ZINC000192417129 539259377 /nfs/dbraw/zinc/25/93/77/539259377.db2.gz QJGACIMTQNCSCF-SSDOTTSWSA-N 1 0 304.213 1.682 10 0 DDAERO COCCCS(=O)(=O)[C@@H](C)[C@H]([NH3+])c1ccc(OC)cc1 ZINC000081985887 192349077 /nfs/dbraw/zinc/34/90/77/192349077.db2.gz HBCDPQAVZVLMAW-FZMZJTMJSA-N 1 0 301.408 1.535 10 0 DDAERO CCC1(CC)CN([C@H]2C=CS(=O)(=O)C2)[C@H](C(C)C)C[NH2+]1 ZINC000088860227 185267429 /nfs/dbraw/zinc/26/74/29/185267429.db2.gz WZVIXPCXHOQNPJ-KBPBESRZSA-N 1 0 300.468 1.786 10 0 DDAERO CCC[NH2+][C@@H]1CCC2(C[C@H]1S(=O)(=O)C(C)C)OCCO2 ZINC000081980557 192349856 /nfs/dbraw/zinc/34/98/56/192349856.db2.gz AJCDJQCLDVZROU-CHWSQXEVSA-N 1 0 305.440 1.473 10 0 DDAERO C[C@H]1CCC[C@H](S(=O)(=O)[C@@H]2CC3(CC[C@@H]2[NH3+])OCCO3)C1 ZINC000081983322 192349957 /nfs/dbraw/zinc/34/99/57/192349957.db2.gz NAWCJXXDWUIZKU-XDQVBPFNSA-N 1 0 317.451 1.603 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2Cc3ccccc32)C[C@H]1C ZINC000248654380 539272340 /nfs/dbraw/zinc/27/23/40/539272340.db2.gz VVUPQFQACVYLOT-IJEWVQPXSA-N 1 0 317.433 1.423 10 0 DDAERO OC[C@H](O)C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000090281927 185289419 /nfs/dbraw/zinc/28/94/19/185289419.db2.gz XZRRCLQXRGRXDM-PWSUYJOCSA-N 1 0 316.195 1.606 10 0 DDAERO CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C1C[NH2+]C1 ZINC000090293905 185289812 /nfs/dbraw/zinc/28/98/12/185289812.db2.gz NYNNJBMPZOATJT-UHFFFAOYSA-N 1 0 301.312 1.726 10 0 DDAERO Clc1ccc2c(c1)nccc2N1CC(N2CC[NH2+]CC2)C1 ZINC000090309819 185290378 /nfs/dbraw/zinc/29/03/78/185290378.db2.gz GWCKETWJRSQLCU-UHFFFAOYSA-N 1 0 302.809 1.982 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000090337096 185291815 /nfs/dbraw/zinc/29/18/15/185291815.db2.gz UIHRQWSKTZKRCW-GXSJLCMTSA-N 1 0 316.373 1.583 10 0 DDAERO COC(=O)c1sccc1NC(=O)CSCC(C)(C)[NH3+] ZINC000090358379 185292296 /nfs/dbraw/zinc/29/22/96/185292296.db2.gz KIFBASRCPMOILI-UHFFFAOYSA-N 1 0 302.421 1.944 10 0 DDAERO [NH3+][C@@H]1COC[C@H]1C(=O)NCc1cc(F)ccc1Br ZINC000090383106 185293817 /nfs/dbraw/zinc/29/38/17/185293817.db2.gz PAOMUQQWIPGWLN-MWLCHTKSSA-N 1 0 317.158 1.178 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000090431544 185295815 /nfs/dbraw/zinc/29/58/15/185295815.db2.gz HSJTVIAAPGBJIP-NWDGAFQWSA-N 1 0 302.296 1.556 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)NCCc1ccc(Cl)cc1Cl ZINC000090431981 185295987 /nfs/dbraw/zinc/29/59/87/185295987.db2.gz VIOLMWREWRXPTD-YPMHNXCESA-N 1 0 317.216 1.887 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000090434669 185296162 /nfs/dbraw/zinc/29/61/62/185296162.db2.gz NMVGTFQIFDXSGD-WDEREUQCSA-N 1 0 306.284 1.405 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)NCc1cc(Br)cs1 ZINC000090438062 185296603 /nfs/dbraw/zinc/29/66/03/185296603.db2.gz GRSPSCMKUYNSSY-NXEZZACHSA-N 1 0 319.224 1.361 10 0 DDAERO COC(=O)c1ccc(Cl)c(NC(=O)[C@@]2(C)COC[C@@H]2[NH3+])c1 ZINC000090587412 185305294 /nfs/dbraw/zinc/30/52/94/185305294.db2.gz IZZRSAWNRNLZFW-FZMZJTMJSA-N 1 0 312.753 1.429 10 0 DDAERO C[C@@]1(C(=O)N(Cc2ccco2)CC(F)(F)F)COC[C@H]1[NH3+] ZINC000090590746 185305466 /nfs/dbraw/zinc/30/54/66/185305466.db2.gz MWGWMDFVDLUVFT-ZYHUDNBSSA-N 1 0 306.284 1.534 10 0 DDAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1S(=O)(=O)CCOC ZINC000092388663 185315281 /nfs/dbraw/zinc/31/52/81/185315281.db2.gz JRCXZBAELKCJKX-LSDHHAIUSA-N 1 0 313.419 1.332 10 0 DDAERO CC(C)[C@H](CO)[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000092400384 185315861 /nfs/dbraw/zinc/31/58/61/185315861.db2.gz BSSYZLCNLCIEEN-GJZGRUSLSA-N 1 0 301.814 1.824 10 0 DDAERO CC[NH2+]C[C@H](C)Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C ZINC000092320446 185312391 /nfs/dbraw/zinc/31/23/91/185312391.db2.gz MKTXQGXLZKPJAG-BXUZGUMPSA-N 1 0 313.467 1.648 10 0 DDAERO Cc1noc(C)c1CNS(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000092339931 185312905 /nfs/dbraw/zinc/31/29/05/185312905.db2.gz JYHISHRYPYOXPE-LBPRGKRZSA-N 1 0 301.412 1.243 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)c1nnc(C)c(C)c1C(N)=S ZINC000092631995 185330548 /nfs/dbraw/zinc/33/05/48/185330548.db2.gz HBEHUFHIIGRWNP-LBPRGKRZSA-N 1 0 307.467 1.648 10 0 DDAERO [NH3+]C1CCN(CC(=O)Nc2ncccc2Br)CC1 ZINC000092715220 185335852 /nfs/dbraw/zinc/33/58/52/185335852.db2.gz FZUOAJMLOJLLSL-UHFFFAOYSA-N 1 0 313.199 1.206 10 0 DDAERO C[NH2+]Cc1cc(S(=O)(=O)NCC2C(C)(C)C2(C)C)cn1C ZINC000092833144 185345028 /nfs/dbraw/zinc/34/50/28/185345028.db2.gz GSBHPSMHBZJSPP-UHFFFAOYSA-N 1 0 313.467 1.705 10 0 DDAERO C[NH2+]C[C@@H]1CCCN1c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000053703758 290697141 /nfs/dbraw/zinc/69/71/41/290697141.db2.gz BZESVPRJYRYPPW-NSHDSACASA-N 1 0 304.362 1.871 10 0 DDAERO CC(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)C1 ZINC000040691752 190666397 /nfs/dbraw/zinc/66/63/97/190666397.db2.gz OTECVHLNCIXXLI-GFCCVEGCSA-N 1 0 300.399 1.834 10 0 DDAERO C[C@H](NC(=O)C(=O)N1CCC[NH2+]CC1)c1cccc(Cl)c1 ZINC000049527644 190677755 /nfs/dbraw/zinc/67/77/55/190677755.db2.gz IJDXZZJPYSCQTE-NSHDSACASA-N 1 0 309.797 1.339 10 0 DDAERO 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C[C@H]1C[C@@H](C(=O)NCCCNC(=O)c2cccc(O)c2)CC[NH2+]1 ZINC000262377238 203276908 /nfs/dbraw/zinc/27/69/08/203276908.db2.gz KUXHBRVOYRBRAL-JSGCOSHPSA-N 1 0 319.405 1.016 10 0 DDAERO [NH3+][C@@H]1CCC[C@H](Oc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000093220204 193218164 /nfs/dbraw/zinc/21/81/64/193218164.db2.gz HVVBBXWNVFLKTI-RISCZKNCSA-N 1 0 310.419 1.776 10 0 DDAERO C[C@@H](NC(=O)COCC[NH3+])c1ccc(Br)cc1 ZINC000093232007 193220209 /nfs/dbraw/zinc/22/02/09/193220209.db2.gz IAEBEXWVVZXMGX-SECBINFHSA-N 1 0 301.184 1.602 10 0 DDAERO CN(CCc1cccs1)[C@]1(C[NH3+])CCCS(=O)(=O)C1 ZINC000093267521 193222538 /nfs/dbraw/zinc/22/25/38/193222538.db2.gz RFXKWSKCIUPIHH-ZDUSSCGKSA-N 1 0 302.465 1.129 10 0 DDAERO CN(CCc1cccs1)[C@@H](C[NH3+])CC(=O)N1CCCCC1 ZINC000093267756 193222623 /nfs/dbraw/zinc/22/26/23/193222623.db2.gz IMBDBHBGKGCEDN-CQSZACIVSA-N 1 0 309.479 1.952 10 0 DDAERO O=C(NCC1(c2ccc(Cl)cc2)CCC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262569113 203332862 /nfs/dbraw/zinc/33/28/62/203332862.db2.gz 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193263085 /nfs/dbraw/zinc/26/30/85/193263085.db2.gz MRIMXVCMVFOAQK-ZDUSSCGKSA-N 1 0 313.419 1.356 10 0 DDAERO C[C@H]1C[NH2+][C@@H](c2ccccc2)CN1CC(C)(C)S(C)(=O)=O ZINC000093525892 193264258 /nfs/dbraw/zinc/26/42/58/193264258.db2.gz LTRSFNUCHZRJKF-DZGCQCFKSA-N 1 0 310.463 1.845 10 0 DDAERO C[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCSc1nc(C)cc(C)n1 ZINC000093630311 193277349 /nfs/dbraw/zinc/27/73/49/193277349.db2.gz BLEXPCUDRCTHOH-DOMZBBRYSA-N 1 0 308.451 1.819 10 0 DDAERO CC(C)N(CC[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000093696060 193291612 /nfs/dbraw/zinc/29/16/12/193291612.db2.gz KKWQGEPEDGQBLG-OAHLLOKOSA-N 1 0 319.515 1.366 10 0 DDAERO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)o1 ZINC000093696459 193291684 /nfs/dbraw/zinc/29/16/84/193291684.db2.gz MKVBPOKLESBPSV-CHWSQXEVSA-N 1 0 300.424 1.910 10 0 DDAERO CCC[NH2+][C@H](CC[C@H]1CCCN(S(C)(=O)=O)C1)COC ZINC000093698096 193292544 /nfs/dbraw/zinc/29/25/44/193292544.db2.gz SQADWDDTRQDJAS-ZIAGYGMSSA-N 1 0 306.472 1.453 10 0 DDAERO CCC[NH2+]Cc1cccn1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093698533 193292713 /nfs/dbraw/zinc/29/27/13/193292713.db2.gz MPNFRDUNOPMEDW-AWEZNQCLSA-N 1 0 313.467 1.659 10 0 DDAERO CCC[NH2+]C[C@]1(C[C@@H]2CCCN(S(C)(=O)=O)C2)CCOC1 ZINC000093701591 193294638 /nfs/dbraw/zinc/29/46/38/193294638.db2.gz JOCAJZPMQYSMRM-LSDHHAIUSA-N 1 0 318.483 1.454 10 0 DDAERO CCC(CC)([C@@H](N)C[C@@H]1CCCN(S(C)(=O)=O)C1)[NH+](C)C ZINC000093700732 193294955 /nfs/dbraw/zinc/29/49/55/193294955.db2.gz XFDPAPCOZQKHHS-KBPBESRZSA-N 1 0 319.515 1.496 10 0 DDAERO COC(=O)C(C)(C)CSc1nnnn1CC[NH2+]C(C)(C)C ZINC000093728561 193297210 /nfs/dbraw/zinc/29/72/10/193297210.db2.gz UGLUGUCWANFQGM-UHFFFAOYSA-N 1 0 315.443 1.353 10 0 DDAERO C[NH2+][C@@]1(C(N)=O)CCC[C@@H](Sc2nnc(N(C)C)s2)C1 ZINC000093780191 193307250 /nfs/dbraw/zinc/30/72/50/193307250.db2.gz FNGDPFOVJZZTEJ-PELKAZGASA-N 1 0 315.468 1.082 10 0 DDAERO C[NH2+][C@@]1(CO)CCC[C@@H](N2CCN(CC(F)(F)F)CC2)C1 ZINC000093781612 193307280 /nfs/dbraw/zinc/30/72/80/193307280.db2.gz GDKZGGHDWLGSES-OLZOCXBDSA-N 1 0 309.376 1.059 10 0 DDAERO CCC[NH2+][C@H](C)[C@H]1CCCCN1S(=O)(=O)CCOC(C)C ZINC000093664635 193286560 /nfs/dbraw/zinc/28/65/60/193286560.db2.gz OHBIFVADCLSCQB-HUUCEWRRSA-N 1 0 320.499 1.984 10 0 DDAERO CCC[NH2+][C@@H](C)[C@H]1CCCCN1S(=O)(=O)CCOC(C)C ZINC000093664634 193286626 /nfs/dbraw/zinc/28/66/26/193286626.db2.gz OHBIFVADCLSCQB-LSDHHAIUSA-N 1 0 320.499 1.984 10 0 DDAERO CC(C)[NH2+]C[C@H]1CCCCN1S(=O)(=O)CCOC(C)C ZINC000093667754 193287088 /nfs/dbraw/zinc/28/70/88/193287088.db2.gz DXIXIOMKMMFRBH-CQSZACIVSA-N 1 0 306.472 1.594 10 0 DDAERO NC(=O)[C@]1([NH3+])CC[C@@H](Oc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000093846994 193316917 /nfs/dbraw/zinc/31/69/17/193316917.db2.gz IYXIAPYIOWQLDE-BAVBESHTSA-N 1 0 310.222 1.496 10 0 DDAERO CC[NH2+][C@]1(CO)CC[C@H](Oc2ccc(S(C)(=O)=O)cc2)C1 ZINC000093859651 193320265 /nfs/dbraw/zinc/32/02/65/193320265.db2.gz GBTLCDDWKVNFAC-DZGCQCFKSA-N 1 0 313.419 1.362 10 0 DDAERO CCNS(=O)(=O)c1ccccc1N(CC)CC(C)(C)C[NH3+] ZINC000093892329 193323689 /nfs/dbraw/zinc/32/36/89/193323689.db2.gz YPSNECJSWLTDCU-UHFFFAOYSA-N 1 0 313.467 1.796 10 0 DDAERO CC[C@H]([NH3+])[C@@H](c1ccccc1OC)N(C)CCS(C)(=O)=O ZINC000094297509 193357014 /nfs/dbraw/zinc/35/70/14/193357014.db2.gz GJNNPDDWOICAHD-DZGCQCFKSA-N 1 0 314.451 1.450 10 0 DDAERO CCC[NH2+][C@@H]1[C@H](N(C)CCS(C)(=O)=O)CCCC1(C)C ZINC000094298037 193357057 /nfs/dbraw/zinc/35/70/57/193357057.db2.gz LOKRFBZNHKIFDO-ZIAGYGMSSA-N 1 0 304.500 1.910 10 0 DDAERO CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1N(C)CCS(C)(=O)=O ZINC000094298176 193357712 /nfs/dbraw/zinc/35/77/12/193357712.db2.gz JFXGEEHANPINRA-ZNMIVQPWSA-N 1 0 304.500 1.910 10 0 DDAERO CC[NH2+][C@@H]1CCC(C)(C)C[C@H]1CN(C)CCS(C)(=O)=O ZINC000094300308 193357738 /nfs/dbraw/zinc/35/77/38/193357738.db2.gz RJWRJAQDEXVQRI-UONOGXRCSA-N 1 0 304.500 1.767 10 0 DDAERO CC[NH+](CC)CCNc1nc(C(F)(F)F)ccc1C(N)=O ZINC000094334784 193360236 /nfs/dbraw/zinc/36/02/36/193360236.db2.gz PWTRDSMXDMGCCS-UHFFFAOYSA-N 1 0 304.316 1.953 10 0 DDAERO [NH3+]Cc1cc(F)c(OCC(=O)NC2CCOCC2)c(F)c1 ZINC000094346316 193363126 /nfs/dbraw/zinc/36/31/26/193363126.db2.gz DSEUJEJLERZPFM-UHFFFAOYSA-N 1 0 300.305 1.098 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(N)cc(F)c1C ZINC000094359214 193364912 /nfs/dbraw/zinc/36/49/12/193364912.db2.gz MPRQDMFAOUNXJW-LBPRGKRZSA-N 1 0 315.414 1.479 10 0 DDAERO COc1ccc(C(=O)Nc2nc3c(s2)C[NH2+]CC3)cc1O ZINC000094066929 193343331 /nfs/dbraw/zinc/34/33/31/193343331.db2.gz JUFPEDUFQJUQKH-UHFFFAOYSA-N 1 0 305.359 1.755 10 0 DDAERO C[NH2+][C@H](c1cscc1C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000094247001 193354694 /nfs/dbraw/zinc/35/46/94/193354694.db2.gz BUTUIUZNULAGMV-ZDUSSCGKSA-N 1 0 301.371 1.895 10 0 DDAERO CCC[NH2+]Cc1ncnn1[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094644055 193389433 /nfs/dbraw/zinc/38/94/33/193389433.db2.gz NXVSMWKUYYKKPY-VXGBXAGGSA-N 1 0 300.428 1.306 10 0 DDAERO C(C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1)CN1CCOCC1 ZINC000094367270 193366539 /nfs/dbraw/zinc/36/65/39/193366539.db2.gz ODRXNDVODDXACQ-GJZGRUSLSA-N 1 0 300.468 1.353 10 0 DDAERO COCC[N@H+](CCC(N)=S)[C@H]1CCOC2(CCOCC2)C1 ZINC000094376035 193367291 /nfs/dbraw/zinc/36/72/91/193367291.db2.gz PFEVSXDRDCNSLM-ZDUSSCGKSA-N 1 0 316.467 1.339 10 0 DDAERO COCC[NH2+]C[C@](C)(O)[C@H]1CCOC2(CCSCC2)C1 ZINC000094418989 193368810 /nfs/dbraw/zinc/36/88/10/193368810.db2.gz OKMNEOFRZDMMKE-KBPBESRZSA-N 1 0 303.468 1.666 10 0 DDAERO CC[NH+](CC)CCN[C@]1(C(=O)OC)CSCCC1(C)C ZINC000094484674 193372812 /nfs/dbraw/zinc/37/28/12/193372812.db2.gz BDSKXRGZVJLNFV-HNNXBMFYSA-N 1 0 302.484 1.993 10 0 DDAERO C[C@H]1CN(c2nc(Br)cn3ccnc23)CC[N@@H+]1C ZINC000094491063 193373857 /nfs/dbraw/zinc/37/38/57/193373857.db2.gz YWKNTVBLXSQICI-VIFPVBQESA-N 1 0 310.199 1.632 10 0 DDAERO COCC[NH2+]CCc1c(C)nc([C@@H]2CSCCO2)nc1C ZINC000094505475 193374530 /nfs/dbraw/zinc/37/45/30/193374530.db2.gz LXQIFFZCAWNMSA-AWEZNQCLSA-N 1 0 311.451 1.676 10 0 DDAERO C[NH2+][C@@H](Cc1ccccc1Br)[C@@H]1CN2CCN1CC2 ZINC000094509405 193376104 /nfs/dbraw/zinc/37/61/04/193376104.db2.gz DCOKEKGVJNEKNJ-GJZGRUSLSA-N 1 0 324.266 1.579 10 0 DDAERO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 ZINC000094595728 193382131 /nfs/dbraw/zinc/38/21/31/193382131.db2.gz HGERFOPHBMDSLW-VIFPVBQESA-N 1 0 301.312 1.969 10 0 DDAERO COc1ncnc2c1[nH]c(=S)n2C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000094739050 193395027 /nfs/dbraw/zinc/39/50/27/193395027.db2.gz SGFZPNVLULTVRR-JTQLQIEISA-N 1 0 307.423 1.854 10 0 DDAERO NS(=O)(=O)c1ccccc1NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000094752070 193395768 /nfs/dbraw/zinc/39/57/68/193395768.db2.gz KVYPVSXIPCNRPE-MNOVXSKESA-N 1 0 311.407 1.180 10 0 DDAERO Cc1cc(F)c(N)cc1S(=O)(=O)N(C)CCC[NH+](C)C ZINC000094779724 193397197 /nfs/dbraw/zinc/39/71/97/193397197.db2.gz VZUITWNZPJEQHC-UHFFFAOYSA-N 1 0 303.403 1.289 10 0 DDAERO CCn1cc(S(=O)(=O)NC[C@@]2(C)CCCO2)cc1C[NH2+]C ZINC000094815137 193399775 /nfs/dbraw/zinc/39/97/75/193399775.db2.gz NPTYHKMRTMKNAS-CQSZACIVSA-N 1 0 315.439 1.075 10 0 DDAERO NS(=O)(=O)c1ccc(NC(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000021797307 182289652 /nfs/dbraw/zinc/28/96/52/182289652.db2.gz BPCWUZCNNUAGKG-UHFFFAOYSA-N 1 0 305.359 1.045 10 0 DDAERO COCCOc1ccccc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000121059054 248264964 /nfs/dbraw/zinc/26/49/64/248264964.db2.gz FOBKVFOVZFWXGU-QGZVFWFLSA-N 1 0 320.433 1.618 10 0 DDAERO C[C@H]1CCN(C(=O)NCc2nnc(C(C)(C)C)[nH]2)[C@@H](C[NH3+])C1 ZINC000333600592 249037788 /nfs/dbraw/zinc/03/77/88/249037788.db2.gz PNOZVADIXROPPA-WDEREUQCSA-N 1 0 308.430 1.371 10 0 DDAERO O=C(NCC[NH2+]C1CCCCCC1)N1CCC[C@@](F)(CO)C1 ZINC000333677798 249068428 /nfs/dbraw/zinc/06/84/28/249068428.db2.gz OICGLPYSJKSQEB-INIZCTEOSA-N 1 0 315.433 1.805 10 0 DDAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)Cc2c(F)cccc2Cl)C1 ZINC000040634603 183112288 /nfs/dbraw/zinc/11/22/88/183112288.db2.gz ZFYHTHAXKLHQQR-NOZJJQNGSA-N 1 0 300.761 1.814 10 0 DDAERO C[C@H]1CCN(C(=O)NCc2noc3c2CCCC3)[C@H](C[NH3+])C1 ZINC000333787828 249106135 /nfs/dbraw/zinc/10/61/35/249106135.db2.gz MAAJHEANKSEVCI-RYUDHWBXSA-N 1 0 306.410 1.822 10 0 DDAERO Nc1cc(F)ccc1S(=O)(=O)NCC[NH+]1CCCCCC1 ZINC000040767235 183131845 /nfs/dbraw/zinc/13/18/45/183131845.db2.gz JRZBWDWVFASICL-UHFFFAOYSA-N 1 0 315.414 1.562 10 0 DDAERO CC(C)[C@H](NS(=O)(=O)N1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000040860755 183143774 /nfs/dbraw/zinc/14/37/74/183143774.db2.gz JDBQXHLGCVEQFF-AWEZNQCLSA-N 1 0 315.414 1.262 10 0 DDAERO CN(c1ncnc(Nc2ccccn2)c1N)C1CC[NH+](C)CC1 ZINC000040779207 183133157 /nfs/dbraw/zinc/13/31/57/183133157.db2.gz MPXIJOIFJUVOIM-UHFFFAOYSA-N 1 0 313.409 1.728 10 0 DDAERO CCC[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000040833912 183139988 /nfs/dbraw/zinc/13/99/88/183139988.db2.gz BXNYRXGGPVUBPF-ZDUSSCGKSA-N 1 0 311.407 1.193 10 0 DDAERO CCNS(=O)(=O)c1ccccc1N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750540 183128668 /nfs/dbraw/zinc/12/86/68/183128668.db2.gz GZIREEUYBLVTLN-YHWZYXNKSA-N 1 0 309.435 1.443 10 0 DDAERO [NH3+][C@@H]1CCCN(CC(=O)Nc2ncc(Cl)cc2Cl)C1 ZINC000041029346 183157425 /nfs/dbraw/zinc/15/74/25/183157425.db2.gz ODRHZXYJEQERRH-SECBINFHSA-N 1 0 303.193 1.750 10 0 DDAERO NC(=O)COC[C@H]([NH3+])c1cc2c(cc1Cl)OCCCO2 ZINC000041072125 183162962 /nfs/dbraw/zinc/16/29/62/183162962.db2.gz QTOQQDLGEYAVEB-JTQLQIEISA-N 1 0 300.742 1.003 10 0 DDAERO CC[C@H](NS(=O)(=O)N1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000040860560 183144186 /nfs/dbraw/zinc/14/41/86/183144186.db2.gz KFMSWJZTVVQWOT-ZDUSSCGKSA-N 1 0 317.842 1.531 10 0 DDAERO C[C@H]([NH3+])c1ccc(NC(=O)NC2CCS(=O)(=O)CC2)cc1 ZINC000041716669 183218194 /nfs/dbraw/zinc/21/81/94/183218194.db2.gz RYMUPPUJLFZQCV-JTQLQIEISA-N 1 0 311.407 1.405 10 0 DDAERO C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccc(S(C)(=O)=O)cc1 ZINC000042171546 183238464 /nfs/dbraw/zinc/23/84/64/183238464.db2.gz KEDIVPREJNYXKK-YPMHNXCESA-N 1 0 310.419 1.409 10 0 DDAERO CCN1C(=O)C[C@@H]([NH2+]Cc2ccc(Br)cc2)C1=O ZINC000042298672 183250788 /nfs/dbraw/zinc/25/07/88/183250788.db2.gz GOBIBUSCLCTAGH-LLVKDONJSA-N 1 0 311.179 1.686 10 0 DDAERO CC(C)[NH2+]CCN1c2ccc(Br)cc2C(=O)C1=O ZINC000042410259 183265105 /nfs/dbraw/zinc/26/51/05/183265105.db2.gz KJFXIGVDEFYRJB-UHFFFAOYSA-N 1 0 311.179 1.976 10 0 DDAERO C[C@@H]([NH3+])Cc1cccc(Br)c1OC[C@@H](C)C(N)=O ZINC000042412813 183266831 /nfs/dbraw/zinc/26/68/31/183266831.db2.gz HGIYQOCINYMFEK-RKDXNWHRSA-N 1 0 315.211 1.839 10 0 DDAERO COCCCN(CCOC)[C@@H](C[NH3+])c1c(F)cccc1F ZINC000042421058 183267741 /nfs/dbraw/zinc/26/77/41/183267741.db2.gz FUTYKDCNRQIIKQ-AWEZNQCLSA-N 1 0 302.365 1.950 10 0 DDAERO CCCN(CC(=O)N(C)C)c1nc2sccn2c1C[NH2+]C ZINC000042424086 183268365 /nfs/dbraw/zinc/26/83/65/183268365.db2.gz XYYCJHGYCHSJLQ-UHFFFAOYSA-N 1 0 309.439 1.420 10 0 DDAERO CC(C)[N@H+](CCCOc1ccc(C(N)=S)cc1)CC(N)=O ZINC000042429013 183269367 /nfs/dbraw/zinc/26/93/67/183269367.db2.gz PJUPJFODQNSWJP-UHFFFAOYSA-N 1 0 309.435 1.285 10 0 DDAERO CN(Cc1ccc(Br)cc1)C[C@@H](O)C[NH2+]C1CC1 ZINC000042439962 183270008 /nfs/dbraw/zinc/27/00/08/183270008.db2.gz QEQIITJWXHNMNK-AWEZNQCLSA-N 1 0 313.239 1.994 10 0 DDAERO CC[C@H](C)N(CCOC)S(=O)(=O)c1ccc(C[NH2+]C)cc1 ZINC000042594188 183289766 /nfs/dbraw/zinc/28/97/66/183289766.db2.gz IZBOMPNSNJZOKR-ZDUSSCGKSA-N 1 0 314.451 1.842 10 0 DDAERO CCC(CC)N(CCOC)S(=O)(=O)c1ccccc1C[NH3+] ZINC000042680561 183295977 /nfs/dbraw/zinc/29/59/77/183295977.db2.gz JNOPQMUQNICICU-UHFFFAOYSA-N 1 0 314.451 1.971 10 0 DDAERO O=S(=O)(CC[C@@H]1CCCC[NH2+]1)N(CC(F)(F)F)C1CC1 ZINC000042782471 183309466 /nfs/dbraw/zinc/30/94/66/183309466.db2.gz HDBAVPAGDVQYQC-JTQLQIEISA-N 1 0 314.373 1.875 10 0 DDAERO CNC(=O)CN(C)[C@H](c1ccc(Br)s1)[C@@H](C)[NH3+] ZINC000043259852 183348888 /nfs/dbraw/zinc/34/88/88/183348888.db2.gz RVLHJPFJEXTIDR-HQJQHLMTSA-N 1 0 320.256 1.577 10 0 DDAERO CNC(=O)CN(C)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000043259832 183349006 /nfs/dbraw/zinc/34/90/06/183349006.db2.gz RXFPMQRJBPVRPN-ZETCQYMHSA-N 1 0 306.229 1.188 10 0 DDAERO C[NH2+][C@H](c1cc2c(c(Cl)c1)OCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000043300682 183352189 /nfs/dbraw/zinc/35/21/89/183352189.db2.gz YUNSJJAMUWRCOL-PELKAZGASA-N 1 0 317.794 1.764 10 0 DDAERO C[NH+](C)C(C)(C)CNc1ccccc1S(=O)(=O)NC1CC1 ZINC000043411847 183361083 /nfs/dbraw/zinc/36/10/83/183361083.db2.gz CUXUHMBMITVKPP-UHFFFAOYSA-N 1 0 311.451 1.879 10 0 DDAERO Cn1ccnc1CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000045134344 183483252 /nfs/dbraw/zinc/48/32/52/183483252.db2.gz RWDCDCYMWNHLON-CYBMUJFWSA-N 1 0 309.797 1.646 10 0 DDAERO COc1ccc2cc(CN3C[C@@H](OC)C[C@H]3C(N)=O)ccc2c1 ZINC000284516247 218060113 /nfs/dbraw/zinc/06/01/13/218060113.db2.gz IOISDSFUKWGCGU-IRXDYDNUSA-N 1 0 314.385 1.923 10 0 DDAERO O=C(NCC[NH+]1CCCCCC1)c1cccc2c1OCC(=O)N2 ZINC000104844928 194046129 /nfs/dbraw/zinc/04/61/29/194046129.db2.gz LUFMQLWJMBWBJG-UHFFFAOYSA-N 1 0 317.389 1.623 10 0 DDAERO Cc1cc(N2CC[C@](O)(c3cn[nH]n3)C2)c2cc(F)ccc2[nH+]1 ZINC000284668809 218125212 /nfs/dbraw/zinc/12/52/12/218125212.db2.gz WIQUTGJWWUAJOW-MRXNPFEDSA-N 1 0 313.336 1.898 10 0 DDAERO Cc1ccc(C(N)=O)cc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105024542 194065745 /nfs/dbraw/zinc/06/57/45/194065745.db2.gz MNVZZJLMCPQGGY-CQSZACIVSA-N 1 0 316.405 1.796 10 0 DDAERO CN(CCNC(=O)N1CC[C@@H]([NH+](C)C)C1)C(=O)OC(C)(C)C ZINC000105248404 194089004 /nfs/dbraw/zinc/08/90/04/194089004.db2.gz SCTMBPWRLVOGEN-GFCCVEGCSA-N 1 0 314.430 1.199 10 0 DDAERO Cc1nc(CN2CCCN(C(=O)C[N@@H+](C)C(C)C)CC2)cs1 ZINC000105819590 194136337 /nfs/dbraw/zinc/13/63/37/194136337.db2.gz JGSANTZMFGYUQQ-UHFFFAOYSA-N 1 0 324.494 1.826 10 0 DDAERO COc1ccc(NC(=O)CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000105821646 194137705 /nfs/dbraw/zinc/13/77/05/194137705.db2.gz VYFHQXOWURLUQI-ZIAGYGMSSA-N 1 0 321.421 1.021 10 0 DDAERO CCOC(=O)CCCN1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105820613 194135821 /nfs/dbraw/zinc/13/58/21/194135821.db2.gz VDVORTHZWGKQJG-QGZVFWFLSA-N 1 0 320.433 1.681 10 0 DDAERO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000105897984 194163526 /nfs/dbraw/zinc/16/35/26/194163526.db2.gz UPKPDLDLNXHTIB-OAHLLOKOSA-N 1 0 300.362 1.902 10 0 DDAERO CCc1ccc(NC(=O)[C@@H](C)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000105926869 194173090 /nfs/dbraw/zinc/17/30/90/194173090.db2.gz JSFUJSNZVFWCOL-RHSMWYFYSA-N 1 0 319.449 1.838 10 0 DDAERO Cc1cccc(CN(C)S(=O)(=O)c2cc[nH+]c(NN)c2)c1 ZINC000048871591 183692716 /nfs/dbraw/zinc/69/27/16/183692716.db2.gz AWPHCYNPRLCGAL-UHFFFAOYSA-N 1 0 306.391 1.496 10 0 DDAERO C[C@@H](NS(=O)(=O)C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000049645938 183751457 /nfs/dbraw/zinc/75/14/57/183751457.db2.gz XTLMPUKUXRIJIX-VXGBXAGGSA-N 1 0 300.399 1.806 10 0 DDAERO C[NH2+][C@H](C)c1cccc(S(=O)(=O)N[C@H]2CCC[C@@H]2OC)c1 ZINC000050375957 183784030 /nfs/dbraw/zinc/78/40/30/183784030.db2.gz WQTNHESVCAZRHK-UGFHNGPFSA-N 1 0 312.435 1.813 10 0 DDAERO C[NH+](C)CC1CCN(C(=O)c2nc(NN)ccc2Cl)CC1 ZINC000051113088 183815373 /nfs/dbraw/zinc/81/53/73/183815373.db2.gz VDIDMNILBMCSSJ-UHFFFAOYSA-N 1 0 311.817 1.434 10 0 DDAERO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N[C@H]2CCCOC2)cc1 ZINC000109550528 194272526 /nfs/dbraw/zinc/27/25/26/194272526.db2.gz HNXAEGJXYASZBF-JSGCOSHPSA-N 1 0 312.435 1.814 10 0 DDAERO O=C(CN1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1cccnc1Cl ZINC000051359522 183824846 /nfs/dbraw/zinc/82/48/46/183824846.db2.gz DWEMWRHCBGWYFB-WCQYABFASA-N 1 0 308.813 1.890 10 0 DDAERO C[NH2+]C[C@H](Cc1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000052950026 183881750 /nfs/dbraw/zinc/88/17/50/183881750.db2.gz IACBAJHLPXYBHY-HIFRSBDPSA-N 1 0 311.447 1.816 10 0 DDAERO CC(C)[C@H](C[NH+](C)C)NC(=O)Cc1ccc(C(N)=S)cc1 ZINC000110614862 194342198 /nfs/dbraw/zinc/34/21/98/194342198.db2.gz JLUJYSGSNNGQMR-AWEZNQCLSA-N 1 0 307.463 1.566 10 0 DDAERO CC[NH+](CC)CCCNC(=O)Cc1ccc(C(N)=S)cc1 ZINC000110613244 194342578 /nfs/dbraw/zinc/34/25/78/194342578.db2.gz IDVNCDHIXZJICK-UHFFFAOYSA-N 1 0 307.463 1.711 10 0 DDAERO C[C@H]1C(=O)NCCN1[C@@H](C[NH3+])c1ccccc1Br ZINC000110655259 194347622 /nfs/dbraw/zinc/34/76/22/194347622.db2.gz IDJZCYIMUPOXAR-CABZTGNLSA-N 1 0 312.211 1.269 10 0 DDAERO CC[C@H]1C[NH2+]CCN1c1ccccc1S(=O)(=O)C(F)F ZINC000110678386 194349250 /nfs/dbraw/zinc/34/92/50/194349250.db2.gz CJRSXXDGWZVEMU-JTQLQIEISA-N 1 0 304.362 1.871 10 0 DDAERO CC(C)[NH2+]CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000054266800 183932372 /nfs/dbraw/zinc/93/23/72/183932372.db2.gz AARSEFZISGZSAE-UHFFFAOYSA-N 1 0 310.341 1.982 10 0 DDAERO CCCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)N(C)C1CCCCC1 ZINC000110942378 194372694 /nfs/dbraw/zinc/37/26/94/194372694.db2.gz LMCJBTCNIFEDDM-OAHLLOKOSA-N 1 0 317.499 1.960 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)s1 ZINC000111095869 194390763 /nfs/dbraw/zinc/39/07/63/194390763.db2.gz KTDZHAGTRSQKJQ-HBNTYKKESA-N 1 0 300.449 1.921 10 0 DDAERO CN(CCC[NH+](C)C)S(=O)(=O)c1ccc(Cl)cc1N ZINC000111130884 194393828 /nfs/dbraw/zinc/39/38/28/194393828.db2.gz FZEWJCXTSYIOMA-UHFFFAOYSA-N 1 0 305.831 1.494 10 0 DDAERO CN(CCC[NH+](C)C)c1nc(Cl)nc(N2CCCCC2)n1 ZINC000111144836 194395645 /nfs/dbraw/zinc/39/56/45/194395645.db2.gz GIHRKMJTKAFDCF-UHFFFAOYSA-N 1 0 312.849 1.903 10 0 DDAERO CCOC(=O)[C@@](C)(CCC[N@H+](C)CCN(C)C)NC(C)C ZINC000111145228 194395772 /nfs/dbraw/zinc/39/57/72/194395772.db2.gz NRWRGPLCACBGGN-MRXNPFEDSA-N 1 0 301.475 1.580 10 0 DDAERO C[NH2+][C@@H](Cc1ccc(OC(F)(F)F)cc1)CS(C)(=O)=O ZINC000060705668 184154455 /nfs/dbraw/zinc/15/44/55/184154455.db2.gz CFKVEGPPFRFQKS-JTQLQIEISA-N 1 0 311.325 1.760 10 0 DDAERO CC[NH2+]C[C@H](C)C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2 ZINC000061231877 184166779 /nfs/dbraw/zinc/16/67/79/184166779.db2.gz SNPOIIKKOROYPW-QMMMGPOBSA-N 1 0 311.769 1.855 10 0 DDAERO CC[NH2+]C[C@H](C)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000061231226 184166968 /nfs/dbraw/zinc/16/69/68/184166968.db2.gz RPDDMTCJZGPODP-VIFPVBQESA-N 1 0 318.826 1.928 10 0 DDAERO CCCCN(C(=O)C[C@@H](C)[NH2+]CC)[C@@H]1CCS(=O)(=O)C1 ZINC000061271923 184167331 /nfs/dbraw/zinc/16/73/31/184167331.db2.gz UHYHZZZELRSIBS-CHWSQXEVSA-N 1 0 304.456 1.190 10 0 DDAERO COCCN(C(=O)[C@H](C[NH3+])c1ccccc1)[C@H]1CCSC1 ZINC000061612049 184178497 /nfs/dbraw/zinc/17/84/97/184178497.db2.gz CHDOVOVFKSQZMR-LSDHHAIUSA-N 1 0 308.447 1.709 10 0 DDAERO NNc1ccc(Cl)c(CN2CCN(c3nccs3)CC2)[nH+]1 ZINC000061638990 184179641 /nfs/dbraw/zinc/17/96/41/184179641.db2.gz QAVSKSDFVVMMTL-UHFFFAOYSA-N 1 0 324.841 1.799 10 0 DDAERO C[NH+](C)C[C@@H]1CCCN1CC(=O)Nc1cc(N)ccc1Cl ZINC000061641851 184180561 /nfs/dbraw/zinc/18/05/61/184180561.db2.gz CGHZUMJTAFCHKY-LBPRGKRZSA-N 1 0 310.829 1.887 10 0 DDAERO [NH3+]Cc1ccccc1CNS(=O)(=O)Cc1ccc(F)cc1 ZINC000061841330 184189401 /nfs/dbraw/zinc/18/94/01/184189401.db2.gz BMPFFZAGAUDIKN-UHFFFAOYSA-N 1 0 308.378 1.904 10 0 DDAERO C[NH+](C)CCC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000062187130 184217214 /nfs/dbraw/zinc/21/72/14/184217214.db2.gz OAOVXMCEOAQRJL-UHFFFAOYSA-N 1 0 307.369 1.062 10 0 DDAERO CCOC(=O)[C@@H](CC[N@H+](CCOC)CC(C)C)NC(C)C ZINC000062458158 184237743 /nfs/dbraw/zinc/23/77/43/184237743.db2.gz DSPVQPJTVPWEEV-OAHLLOKOSA-N 1 0 302.459 1.911 10 0 DDAERO CC[C@H]([NH3+])Cc1ccc(OCC(N)=O)c(Br)c1 ZINC000062704904 184248939 /nfs/dbraw/zinc/24/89/39/184248939.db2.gz OOVCIDHGWNGYFC-VIFPVBQESA-N 1 0 301.184 1.593 10 0 DDAERO O=S(=O)(C[C@@H]1CCC[NH2+]C1)N1CCC2(CCCC2)CC1 ZINC000062960087 184262414 /nfs/dbraw/zinc/26/24/14/184262414.db2.gz XSCSHHDCJBQTBQ-CQSZACIVSA-N 1 0 300.468 1.972 10 0 DDAERO CC[C@@]1(C(=O)Nc2cc(S(C)(=O)=O)ccc2F)CC[NH2+]C1 ZINC000062892890 184258609 /nfs/dbraw/zinc/25/86/09/184258609.db2.gz UFDLWNWIMAPXQO-CQSZACIVSA-N 1 0 314.382 1.557 10 0 DDAERO CCC[C@]1(C(=O)Nc2cccc(S(C)(=O)=O)c2)CC[NH2+]C1 ZINC000062894029 184258902 /nfs/dbraw/zinc/25/89/02/184258902.db2.gz KYTAJEVCAWDMBN-HNNXBMFYSA-N 1 0 310.419 1.808 10 0 DDAERO CN(CCC(N)=S)C(=O)C[N@@H+]1CCCc2ccccc2C1 ZINC000062944676 184262038 /nfs/dbraw/zinc/26/20/38/184262038.db2.gz UOOBGJMEHKKAJY-UHFFFAOYSA-N 1 0 305.447 1.569 10 0 DDAERO C[NH2+]Cc1ccc(O[C@@H]2CCOC2=O)c(Br)c1 ZINC000062700860 184247734 /nfs/dbraw/zinc/24/77/34/184247734.db2.gz AKTICVBTKAFZFD-LLVKDONJSA-N 1 0 300.152 1.863 10 0 DDAERO CNC(=O)[C@H](C)Oc1ccc(C[NH2+]C)cc1Br ZINC000062700929 184247838 /nfs/dbraw/zinc/24/78/38/184247838.db2.gz PYAJCMQWJQLOLW-QMMMGPOBSA-N 1 0 301.184 1.682 10 0 DDAERO CCCn1cc(S(=O)(=O)N[C@@H]2CCCCC[C@@H]2[NH3+])nc1C ZINC000063213192 184278450 /nfs/dbraw/zinc/27/84/50/184278450.db2.gz KGPHYUSJXUKLGT-QWHCGFSZSA-N 1 0 314.455 1.540 10 0 DDAERO [NH3+][C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1cc(F)ccc1F ZINC000063213872 184278730 /nfs/dbraw/zinc/27/87/30/184278730.db2.gz IXQWRDUAACVYIF-NEPJUHHUSA-N 1 0 304.362 1.903 10 0 DDAERO Nc1ccc(F)cc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062975757 184264364 /nfs/dbraw/zinc/26/43/64/184264364.db2.gz AQNXAKUNOFRSFB-LBPRGKRZSA-N 1 0 313.398 1.267 10 0 DDAERO NNc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc(Cl)n1 ZINC000062985134 184264722 /nfs/dbraw/zinc/26/47/22/184264722.db2.gz JZCCWWIUPFVOQZ-NSHDSACASA-N 1 0 309.801 1.331 10 0 DDAERO NNc1ccc(Cl)cc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062985123 184265045 /nfs/dbraw/zinc/26/50/45/184265045.db2.gz KMBWLLOFAKDNTM-GFCCVEGCSA-N 1 0 308.813 1.936 10 0 DDAERO CCOc1cccc(C[NH2+]C)c1OCCCS(C)(=O)=O ZINC000063014342 184266607 /nfs/dbraw/zinc/26/66/07/184266607.db2.gz ICJRDFCYAJOADA-UHFFFAOYSA-N 1 0 301.408 1.618 10 0 DDAERO CC[NH2+][C@@](C)(CSc1ccc(S(C)(=O)=O)cc1)C(N)=O ZINC000063131835 184272340 /nfs/dbraw/zinc/27/23/40/184272340.db2.gz XTFNEZQSHFLRSX-ZDUSSCGKSA-N 1 0 316.448 1.036 10 0 DDAERO Cc1cnc2c(cccc2S(=O)(=O)N[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000063175593 184276625 /nfs/dbraw/zinc/27/66/25/184276625.db2.gz CJDHLVOFJHOFAR-CHWSQXEVSA-N 1 0 305.403 1.701 10 0 DDAERO NC(=O)c1nc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cs1 ZINC000065199473 184314210 /nfs/dbraw/zinc/31/42/10/184314210.db2.gz ODERLRWXFHHUJP-UHFFFAOYSA-N 1 0 322.434 1.333 10 0 DDAERO CCCCNC(=O)c1ccc(NC(=O)C[NH2+]CCOC)cc1 ZINC000066224574 184397826 /nfs/dbraw/zinc/39/78/26/184397826.db2.gz KOFLZJFTDXDZEQ-UHFFFAOYSA-N 1 0 307.394 1.391 10 0 DDAERO Cc1ccc(S(=O)(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1C ZINC000116900391 194783582 /nfs/dbraw/zinc/78/35/82/194783582.db2.gz BKDFADSSRRLYOX-AWEZNQCLSA-N 1 0 312.435 1.255 10 0 DDAERO Cc1cnn(CCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000118077410 194867037 /nfs/dbraw/zinc/86/70/37/194867037.db2.gz WFARXJQFKOLXSW-AWEZNQCLSA-N 1 0 309.458 1.857 10 0 DDAERO C[C@@H]([NH3+])C(=O)NCc1cccc(C(=O)NCc2ccco2)c1 ZINC000157191286 197169297 /nfs/dbraw/zinc/16/92/97/197169297.db2.gz BYDFCNRGMPDUME-LLVKDONJSA-N 1 0 301.346 1.173 10 0 DDAERO Cc1cc(F)cc(C)c1S(=O)(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000261662427 291914667 /nfs/dbraw/zinc/91/46/67/291914667.db2.gz FDLYAWIJGJWTEI-DGCLKSJQSA-N 1 0 300.399 1.800 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCCn1cccn1 ZINC000153124966 196854249 /nfs/dbraw/zinc/85/42/49/196854249.db2.gz QERTWNCQHWHJFW-OAHLLOKOSA-N 1 0 307.442 1.693 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CN(C)C(=O)OC(C)(C)C ZINC000177029492 285270334 /nfs/dbraw/zinc/27/03/34/285270334.db2.gz YEEPFLLHCGZYPB-ZDUSSCGKSA-N 1 0 313.442 1.796 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)NC(=O)c1cccs1 ZINC000245433003 285272477 /nfs/dbraw/zinc/27/24/77/285272477.db2.gz PIMFLPIBCAMDGN-STQMWFEESA-N 1 0 323.462 1.809 10 0 DDAERO CC[N@@H+]1CCO[C@H]2CN(C(=O)Cc3ccsc3)CC[C@H]2C1 ZINC000249702284 257107503 /nfs/dbraw/zinc/10/75/03/257107503.db2.gz ZAVOOKGGEXADCN-GJZGRUSLSA-N 1 0 308.447 1.860 10 0 DDAERO c1ccc(C[N@H+]2CC[C@@H]3CO[C@@H](CN4CCOCC4)[C@@H]3C2)nc1 ZINC000253596329 257105703 /nfs/dbraw/zinc/10/57/03/257105703.db2.gz QAPOAVHMAXIEDG-NXHRZFHOSA-N 1 0 317.433 1.251 10 0 DDAERO Cn1ccc(CN2CCC[C@]3(C[C@H](C[N@H+](C)C4CC4)CO3)C2)n1 ZINC000096075661 257135115 /nfs/dbraw/zinc/13/51/15/257135115.db2.gz POPUYVGPGVCNDD-QAPCUYQASA-N 1 0 318.465 1.885 10 0 DDAERO CCC[C@H]1CN(Cc2nnc(CC)n2C)CC[N@@H+]1CCOC ZINC000121854261 195361995 /nfs/dbraw/zinc/36/19/95/195361995.db2.gz SGLQSMHBZBRCKM-AWEZNQCLSA-N 1 0 309.458 1.310 10 0 DDAERO C[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)nc1)C1C[NH2+]C1 ZINC000163945334 132127721 /nfs/dbraw/zinc/12/77/21/132127721.db2.gz KGYAYQCANQCKHL-MRVPVSSYSA-N 1 0 303.284 1.817 10 0 DDAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cc(=O)[nH]c(C3CC3)c2)[C@@H](C)C1 ZINC000186075805 407568898 /nfs/dbraw/zinc/56/88/98/407568898.db2.gz IUUFUHAVQJIFIJ-NHYWBVRUSA-N 1 0 303.406 1.711 10 0 DDAERO [NH3+][C@H]1CCN(c2cc(-c3ccncc3)nc(-c3cnccn3)n2)C1 ZINC000070455899 406817272 /nfs/dbraw/zinc/81/72/72/406817272.db2.gz HKBMJTYWVVSKIB-ZDUSSCGKSA-N 1 0 319.372 1.533 10 0 DDAERO C[C@H]1CN(C)c2ccccc2C[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000083689353 407082050 /nfs/dbraw/zinc/08/20/50/407082050.db2.gz PBQOYKSTFPPFCJ-GOEBONIOSA-N 1 0 317.433 1.310 10 0 DDAERO C[C@H]1CN(C(=O)c2ccc(Br)cn2)C[C@H]1[NH+](C)C ZINC000089710249 407145621 /nfs/dbraw/zinc/14/56/21/407145621.db2.gz MXCFXMFKMPRQPV-JOYOIKCWSA-N 1 0 312.211 1.866 10 0 DDAERO C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)c1ccccc1 ZINC000052567357 407152474 /nfs/dbraw/zinc/15/24/74/407152474.db2.gz IIEVPNNZZOHNBD-HUUCEWRRSA-N 1 0 318.421 1.196 10 0 DDAERO C[C@@H](NC(=O)c1ccco1)C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000053152558 407163830 /nfs/dbraw/zinc/16/38/30/407163830.db2.gz CDQYQFIWQOWIJO-CYBMUJFWSA-N 1 0 321.421 1.731 10 0 DDAERO CCOC(=O)c1cnc2cc(OC)ccc2c1N1CC[NH2+]CC1 ZINC000053994670 407176522 /nfs/dbraw/zinc/17/65/22/407176522.db2.gz GCTOOBAQRJRBGL-UHFFFAOYSA-N 1 0 315.373 1.830 10 0 DDAERO CC[C@H](CN(CC)S(=O)(=O)[C@@H](C)c1cnccn1)[NH2+]C ZINC000095069658 407205341 /nfs/dbraw/zinc/20/53/41/407205341.db2.gz YTZFVLOPMHTVQR-NWDGAFQWSA-N 1 0 300.428 1.187 10 0 DDAERO C[N@@H+]1CCC2(C1)CCN(S(=O)(=O)CCC(F)(F)F)CC2 ZINC000065371818 407243741 /nfs/dbraw/zinc/24/37/41/407243741.db2.gz HJVAMHVLOHTSQS-UHFFFAOYSA-N 1 0 314.373 1.686 10 0 DDAERO O=C(NC1CCC2(CC1)OCCO2)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105120654 407352804 /nfs/dbraw/zinc/35/28/04/407352804.db2.gz VIEXWLJPRYUYGD-OAHLLOKOSA-N 1 0 323.437 1.552 10 0 DDAERO COCCN(CC[NH+](C)C)C(=O)N[C@H]1COc2ccccc21 ZINC000105205553 407352982 /nfs/dbraw/zinc/35/29/82/407352982.db2.gz GWDQPZRFMKVUOD-AWEZNQCLSA-N 1 0 307.394 1.340 10 0 DDAERO CC[C@H]1CN(Cc2noc3c2CCCC3)CC[N@@H+]1C[C@@H](C)O ZINC000108867375 407391401 /nfs/dbraw/zinc/39/14/01/407391401.db2.gz VLIGZZAMDJVAEU-KGLIPLIRSA-N 1 0 307.438 1.830 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](c1ccccc1)N(C)C ZINC000113229858 407477282 /nfs/dbraw/zinc/47/72/82/407477282.db2.gz SKXCELWNWASULD-DJIMGWMZSA-N 1 0 301.434 1.984 10 0 DDAERO COc1ccc(/C=C(\C)C(=O)NC[C@H]2CN(C)CCO2)cc1F ZINC000185689926 407477983 /nfs/dbraw/zinc/47/79/83/407477983.db2.gz KQGIOTQLZLQALG-BCNIOPEESA-N 1 0 322.380 1.684 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCN1C(=O)c2ccccc2C1=O ZINC000113267786 407485404 /nfs/dbraw/zinc/48/54/04/407485404.db2.gz DZBUNHPOUCHCMH-ZIAGYGMSSA-N 1 0 313.401 1.451 10 0 DDAERO CCCCC1CCC(NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)CC1 ZINC000178622075 407513787 /nfs/dbraw/zinc/51/37/87/407513787.db2.gz YTEOCSDUBMWUGQ-JXQTWKCFSA-N 1 0 318.483 1.614 10 0 DDAERO CSCc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170843276 407529055 /nfs/dbraw/zinc/52/90/55/407529055.db2.gz MQMRXWKESXSHJR-CQSZACIVSA-N 1 0 321.446 1.651 10 0 DDAERO CCC[C@H](C(=O)N[C@H](C)C(=O)NCc1ccccc1)[NH+](C)C ZINC000178652427 407531214 /nfs/dbraw/zinc/53/12/14/407531214.db2.gz LDKAFBARETVJLS-UKRRQHHQSA-N 1 0 305.422 1.538 10 0 DDAERO C[C@@H]([NH3+])CCNC(=O)C1CCC(NC(=O)C2CCCC2)CC1 ZINC000178678098 407543463 /nfs/dbraw/zinc/54/34/63/407543463.db2.gz HTOWZOJDIZPUQR-LRVUVFPRSA-N 1 0 309.454 1.705 10 0 DDAERO COc1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1O ZINC000128546573 407547014 /nfs/dbraw/zinc/54/70/14/407547014.db2.gz GBUAGTVWEYDAPF-AWEZNQCLSA-N 1 0 302.378 1.905 10 0 DDAERO C[C@@H](NC(=O)C1([NH3+])CCOCC1)c1nc2ccccc2n1C ZINC000261802564 407620323 /nfs/dbraw/zinc/62/03/23/407620323.db2.gz IZTNGGQIRHPQRY-LLVKDONJSA-N 1 0 302.378 1.258 10 0 DDAERO CCC[C@H]([NH3+])C(=O)N1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC000178838866 407620927 /nfs/dbraw/zinc/62/09/27/407620927.db2.gz FZTWZVQXKYJRNK-RYUDHWBXSA-N 1 0 309.376 1.847 10 0 DDAERO CN(C)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)c1 ZINC000261847004 407641298 /nfs/dbraw/zinc/64/12/98/407641298.db2.gz AYDJPGKHTRTFOL-KSZLIROESA-N 1 0 303.450 1.999 10 0 DDAERO CN1CCO[C@H](CNC(=O)c2ccnc(OC3CCC3)c2)C1 ZINC000130001906 407643811 /nfs/dbraw/zinc/64/38/11/407643811.db2.gz RKUIFQSUNDKWCA-CQSZACIVSA-N 1 0 305.378 1.073 10 0 DDAERO O=C(CC[C@H]1CC[NH2+]C1)N1CCC(Nc2cccnn2)CC1 ZINC000261897316 407660837 /nfs/dbraw/zinc/66/08/37/407660837.db2.gz UOFPOQJIDPAAHE-ZDUSSCGKSA-N 1 0 303.410 1.269 10 0 DDAERO Fc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)c1 ZINC000261871956 407650625 /nfs/dbraw/zinc/65/06/25/407650625.db2.gz DHBHOZPJNWLJIW-BBWFWOEESA-N 1 0 308.397 1.951 10 0 DDAERO COc1ccc(Cl)cc1CN(C)C(=O)C1([NH3+])CCOCC1 ZINC000261898817 407659041 /nfs/dbraw/zinc/65/90/41/407659041.db2.gz RHSZRYLJVAUMLR-UHFFFAOYSA-N 1 0 312.797 1.815 10 0 DDAERO CN(Cc1ccc(F)cc1)C(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171640853 407729257 /nfs/dbraw/zinc/72/92/57/407729257.db2.gz LMHIGJWFXRDUNO-MRXNPFEDSA-N 1 0 305.397 1.564 10 0 DDAERO CC[N@H+](CC(=O)N[C@@H]1CCCN(c2cccnn2)C1)C1CC1 ZINC000152723818 407678353 /nfs/dbraw/zinc/67/83/53/407678353.db2.gz PBHSROZPMGSRFV-CYBMUJFWSA-N 1 0 303.410 1.046 10 0 DDAERO CCN(C)C(=O)CC[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000130487700 407693717 /nfs/dbraw/zinc/69/37/17/407693717.db2.gz GIAWAEYODIIZDY-OAHLLOKOSA-N 1 0 304.438 1.992 10 0 DDAERO C[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C[C@@H]1[NH3+] ZINC000235655833 407719923 /nfs/dbraw/zinc/71/99/23/407719923.db2.gz JWDVIICXZITFJF-CPCISQLKSA-N 1 0 309.218 1.961 10 0 DDAERO CC(C)Cn1ccnc1CN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261901943 407664096 /nfs/dbraw/zinc/66/40/96/407664096.db2.gz HUTDBXIZZAPZJB-BZUAXINKSA-N 1 0 306.454 1.786 10 0 DDAERO CCCCN(C)C(=O)C1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000236703254 407754967 /nfs/dbraw/zinc/75/49/67/407754967.db2.gz NSGUELHKAPWXPL-CABCVRRESA-N 1 0 309.454 1.611 10 0 DDAERO Cc1cccn2c(=O)cc(C[N@H+]3CC[C@@H](c4cnn(C)c4)C3)nc12 ZINC000116316984 407742974 /nfs/dbraw/zinc/74/29/74/407742974.db2.gz MKXYSADBXUJUDH-CQSZACIVSA-N 1 0 323.400 1.726 10 0 DDAERO Cc1c(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c2ccccc2n1C ZINC000262119940 407743320 /nfs/dbraw/zinc/74/33/20/407743320.db2.gz VMKOVIKJBQNJRT-MFKMUULPSA-N 1 0 307.419 1.454 10 0 DDAERO Cn1cc([C@@H]2CC[N@H+](CCN3C(=O)c4ccccc4C3=O)C2)cn1 ZINC000116324016 407746925 /nfs/dbraw/zinc/74/69/25/407746925.db2.gz DSAOKOYQQCKRMK-CYBMUJFWSA-N 1 0 324.384 1.506 10 0 DDAERO CN(C(=O)NCC1CC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000171758232 407761401 /nfs/dbraw/zinc/76/14/01/407761401.db2.gz KBOVCLXSXSYCPQ-UHFFFAOYSA-N 1 0 305.426 1.399 10 0 DDAERO COC[C@H]([NH3+])C(=O)NCCc1cc(Br)ccc1F ZINC000262197976 407761646 /nfs/dbraw/zinc/76/16/46/407761646.db2.gz CVHAYJWIXHJTPH-NSHDSACASA-N 1 0 319.174 1.221 10 0 DDAERO COC[C@@H]([NH3+])C(=O)NCc1cccnc1Oc1cccc(F)c1 ZINC000262214413 407767270 /nfs/dbraw/zinc/76/72/70/407767270.db2.gz FDXFDQDPXJRHLI-CQSZACIVSA-N 1 0 319.336 1.603 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)C(C)(C)c2ccc(F)cc2)CCO1 ZINC000116782932 407772217 /nfs/dbraw/zinc/77/22/17/407772217.db2.gz SXPNRVJLBKZJTN-OAHLLOKOSA-N 1 0 308.397 1.892 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2F)CCO1 ZINC000116795384 407780466 /nfs/dbraw/zinc/78/04/66/407780466.db2.gz SWOFQYUNNZVPKY-CYBMUJFWSA-N 1 0 308.397 1.892 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CCO1 ZINC000116795191 407780612 /nfs/dbraw/zinc/78/06/12/407780612.db2.gz ZACVQPHRIHSJAR-MGPQQGTHSA-N 1 0 324.371 1.857 10 0 DDAERO Cc1cc(C)n(C[C@H]2CN(CC[NH+]3CCCCC3)CCO2)n1 ZINC000132293460 407779604 /nfs/dbraw/zinc/77/96/04/407779604.db2.gz UJZBKRWGDRWSRO-QGZVFWFLSA-N 1 0 306.454 1.687 10 0 DDAERO O=C(CC(F)(F)F)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262328658 407799516 /nfs/dbraw/zinc/79/95/16/407799516.db2.gz SETQIENZPDFNJW-QWRGUYRKSA-N 1 0 321.343 1.046 10 0 DDAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCC1(CO)CCCC1 ZINC000186957405 407803244 /nfs/dbraw/zinc/80/32/44/407803244.db2.gz XOLVQHSKOOLIFC-INIZCTEOSA-N 1 0 304.434 1.828 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1cccn(Cc2ccc(C)cc2)c1=O ZINC000262363040 407812787 /nfs/dbraw/zinc/81/27/87/407812787.db2.gz 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/nfs/dbraw/zinc/76/84/10/408768410.db2.gz CPCOVAXDOOHGTK-UONOGXRCSA-N 1 0 301.431 1.164 10 0 DDAERO C[NH+](C)CC[C@@H](NC(=O)N1CC(NC(=O)C2CC2)C1)C(C)(C)C ZINC000187135471 163006648 /nfs/dbraw/zinc/00/66/48/163006648.db2.gz ZVDRVFXSNBDUQZ-CQSZACIVSA-N 1 0 324.469 1.273 10 0 DDAERO C[N@H+](CCNC(=O)N1CC(NC(=O)C2CCC2)C1)C1CCCC1 ZINC000188842324 163073180 /nfs/dbraw/zinc/07/31/80/163073180.db2.gz NSUIIWHLYLPTOE-UHFFFAOYSA-N 1 0 322.453 1.171 10 0 DDAERO CCn1cc(C2CC[NH+](CCN3CCO[C@@H](C)C3)CC2)cn1 ZINC000191468824 163188031 /nfs/dbraw/zinc/18/80/31/163188031.db2.gz FLTZFLVEZGCYIT-HNNXBMFYSA-N 1 0 306.454 1.803 10 0 DDAERO C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000192470776 163224052 /nfs/dbraw/zinc/22/40/52/163224052.db2.gz FFEMHTPGKAACKS-MCIONIFRSA-N 1 0 316.405 1.217 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000192822686 163239878 /nfs/dbraw/zinc/23/98/78/163239878.db2.gz BBFCNZNKGVLTNT-KGLIPLIRSA-N 1 0 300.443 1.495 10 0 DDAERO O=C(CNC(=O)OCc1ccccc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195338961 163319070 /nfs/dbraw/zinc/31/90/70/163319070.db2.gz GVLVBXYKTSGIDG-HNNXBMFYSA-N 1 0 317.389 1.219 10 0 DDAERO Cc1nc(C(=O)N(C)C)ccc1C(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261680133 163684519 /nfs/dbraw/zinc/68/45/19/163684519.db2.gz DFPGGPOLKQZMOQ-AAEUAGOBSA-N 1 0 318.421 1.291 10 0 DDAERO CC1(C)CN(S(=O)(=O)c2cc(F)cc(F)c2)CC[C@H]1[NH3+] ZINC000261696942 163687011 /nfs/dbraw/zinc/68/70/11/163687011.db2.gz IEDCKYJSAZDREH-GFCCVEGCSA-N 1 0 304.362 1.713 10 0 DDAERO CCCC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])C1 ZINC000261717736 163690904 /nfs/dbraw/zinc/69/09/04/163690904.db2.gz GSEKOFSFJOEJMI-QLFBSQMISA-N 1 0 309.454 1.611 10 0 DDAERO COCCOc1cccc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000262037655 163754229 /nfs/dbraw/zinc/75/42/29/163754229.db2.gz PVKNFQJZJMFUHV-HNNXBMFYSA-N 1 0 306.406 1.911 10 0 DDAERO Cc1ccc(C(C)C)c(OCC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262087619 163765462 /nfs/dbraw/zinc/76/54/62/163765462.db2.gz CSQMKUHGQZYARP-HIFRSBDPSA-N 1 0 306.406 1.194 10 0 DDAERO CCOC(=O)c1cccc(NC(=O)[C@]2(COC)CC[NH2+]C2)c1 ZINC000262533265 163844981 /nfs/dbraw/zinc/84/49/81/163844981.db2.gz PYBLEVMGJYNVCM-MRXNPFEDSA-N 1 0 306.362 1.428 10 0 DDAERO CCOC(=O)c1cccc(NC(=O)[C@@]2(COC)CC[NH2+]C2)c1 ZINC000262533262 163845093 /nfs/dbraw/zinc/84/50/93/163845093.db2.gz PYBLEVMGJYNVCM-INIZCTEOSA-N 1 0 306.362 1.428 10 0 DDAERO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1cc(F)c(F)cc1F ZINC000262731094 163870683 /nfs/dbraw/zinc/87/06/83/163870683.db2.gz DJNOOXAFVFTPNR-UHFFFAOYSA-N 1 0 310.341 1.709 10 0 DDAERO [NH3+]CC1(c2nc(-c3ccc4c(c3)CCO4)no2)CCOCC1 ZINC000263149334 163921946 /nfs/dbraw/zinc/92/19/46/163921946.db2.gz CYBWTZFYFMODCV-UHFFFAOYSA-N 1 0 301.346 1.678 10 0 DDAERO [NH3+]C[C@@H]1CCCN1Cc1ncc(I)s1 ZINC000306152441 409771345 /nfs/dbraw/zinc/77/13/45/409771345.db2.gz ACMGFDKLKHELBQ-ZETCQYMHSA-N 1 0 323.203 1.671 10 0 DDAERO C[C@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1ccc(Cl)s1 ZINC000311907626 409794655 /nfs/dbraw/zinc/79/46/55/409794655.db2.gz GVQMMCYDFUJRLL-IUCAKERBSA-N 1 0 324.855 1.370 10 0 DDAERO C[C@@H](O)c1ccc(CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000172130702 287116030 /nfs/dbraw/zinc/11/60/30/287116030.db2.gz FMBFAEHSJBNSAM-CJNGLKHVSA-N 1 0 321.421 1.212 10 0 DDAERO COCC[C@@H](CO)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000300727801 410648033 /nfs/dbraw/zinc/64/80/33/410648033.db2.gz GUCFHWSIZKNZJU-KGLIPLIRSA-N 1 0 316.442 1.621 10 0 DDAERO CCNC(=O)c1ccc(NC[C@@H](c2cnn(C)c2)[NH+](C)C)nc1 ZINC000301301324 410695387 /nfs/dbraw/zinc/69/53/87/410695387.db2.gz VBQWMEJEFUXNHX-AWEZNQCLSA-N 1 0 316.409 1.280 10 0 DDAERO CC[N@H+](C)C[C@@H]1CCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000301435248 410719947 /nfs/dbraw/zinc/71/99/47/410719947.db2.gz KFJGKKIBFSZYBR-LBPRGKRZSA-N 1 0 307.419 1.409 10 0 DDAERO C[NH+](C)C[C@H](NC(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 ZINC000046170918 418446992 /nfs/dbraw/zinc/44/69/92/418446992.db2.gz QIWJRUFHWZOGMN-INIZCTEOSA-N 1 0 324.384 1.889 10 0 DDAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)C(=O)N(C)CC(=O)NC1CC1 ZINC000193222736 418529844 /nfs/dbraw/zinc/52/98/44/418529844.db2.gz QRMDGVNORXXTRS-WDEREUQCSA-N 1 0 309.435 1.524 10 0 DDAERO C[C@@H]([NH3+])CCC(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000193323791 418530015 /nfs/dbraw/zinc/53/00/15/418530015.db2.gz MUGICBGFWVJSHJ-CQSZACIVSA-N 1 0 321.469 1.410 10 0 DDAERO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC(C(N)=O)CC1)c1cccs1 ZINC000193221169 418530421 /nfs/dbraw/zinc/53/04/21/418530421.db2.gz MZMOFPQSKBWOQJ-MNOVXSKESA-N 1 0 309.435 1.511 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C1 ZINC000194663940 418546428 /nfs/dbraw/zinc/54/64/28/418546428.db2.gz XMPMCDYAXDJTME-GDBMZVCRSA-N 1 0 311.470 1.774 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCc2nc(-c3ccco3)no2)C1 ZINC000194652372 418547255 /nfs/dbraw/zinc/54/72/55/418547255.db2.gz JLURVOJQAYWBON-GFCCVEGCSA-N 1 0 318.377 1.863 10 0 DDAERO CCOC(=O)C1CCC(O)(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)CC1 ZINC000191008427 222093865 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Cc1cccc(C)c1C[NH+]1CCN([C@]2(C(N)=O)CCOC2)CC1 ZINC000886079636 708694105 /nfs/dbraw/zinc/69/41/05/708694105.db2.gz GYEJFUZVKKJOQH-GOSISDBHSA-N 1 0 317.433 1.065 10 0 DDAERO Cc1cc(Cl)ncc1NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000181242878 199269750 /nfs/dbraw/zinc/26/97/50/199269750.db2.gz YGCDNLNGOAMVSQ-LLVKDONJSA-N 1 0 312.801 1.838 10 0 DDAERO CCOC(=O)C1CCC(O)(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)CC1 ZINC000248842508 282110665 /nfs/dbraw/zinc/11/06/65/282110665.db2.gz QGMLVEPZAUNCDI-UJEKJILKSA-N 1 0 313.438 1.706 10 0 DDAERO COc1cc2c(cc1F)[nH+]c(N)n2[C@H](C)CS(C)(=O)=O ZINC000081904818 192336877 /nfs/dbraw/zinc/33/68/77/192336877.db2.gz CDPKIRFVHPAAQI-SSDOTTSWSA-N 1 0 301.343 1.372 10 0 DDAERO CCCC[C@@H](CC)COC[C@H](O)C[NH2+][C@@H](C)CS(C)(=O)=O ZINC000081903073 192337128 /nfs/dbraw/zinc/33/71/28/192337128.db2.gz CQUSDQULNIOKDN-RRFJBIMHSA-N 1 0 323.499 1.603 10 0 DDAERO C[NH2+][C@@H]1c2ccc(OC)cc2CC[C@@H]1S(=O)(=O)CCOC ZINC000081943179 192343951 /nfs/dbraw/zinc/34/39/51/192343951.db2.gz VDBLEUVBOUSBNI-LSDHHAIUSA-N 1 0 313.419 1.332 10 0 DDAERO CC(=O)N[C@H]1CCCN(C(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000079121894 185159577 /nfs/dbraw/zinc/15/95/77/185159577.db2.gz DCDSJAIVCRCMKD-HNNXBMFYSA-N 1 0 312.458 1.415 10 0 DDAERO CN([C@@H]1CCC[NH2+]C1)S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000082348594 185176828 /nfs/dbraw/zinc/17/68/28/185176828.db2.gz HSRHKRGXGQKFEN-CYBMUJFWSA-N 1 0 302.827 1.854 10 0 DDAERO C[NH2+][C@@H](CCO)C[S@](=O)c1cccc(Br)c1 ZINC000082989997 185210377 /nfs/dbraw/zinc/21/03/77/185210377.db2.gz MLWSXYSIADLDGW-MGPLVRAMSA-N 1 0 306.225 1.527 10 0 DDAERO C[C@H]([NH3+])CCC[C@H](C)C(=O)Nc1ccccc1S(N)(=O)=O ZINC000087697833 185230714 /nfs/dbraw/zinc/23/07/14/185230714.db2.gz BVMZOHVLIAFWJN-QWRGUYRKSA-N 1 0 313.423 1.426 10 0 DDAERO Cc1nnc(SCC(=O)N[C@@H](C)CCC(C)C)n1CC[NH3+] ZINC000087715143 185230897 /nfs/dbraw/zinc/23/08/97/185230897.db2.gz YKAOSMVEUUIRNT-NSHDSACASA-N 1 0 313.471 1.578 10 0 DDAERO Cc1nnc(SCC(=O)Nc2cccc(C)c2)n1CC[NH3+] ZINC000087715238 185230929 /nfs/dbraw/zinc/23/09/29/185230929.db2.gz BFFFTWQZENGLEU-UHFFFAOYSA-N 1 0 305.407 1.584 10 0 DDAERO CCC[NH2+][C@H]1CCC(C)(C)C[C@H]1S(=O)(=O)CC(=O)OC ZINC000081975982 192347599 /nfs/dbraw/zinc/34/75/99/192347599.db2.gz WNFJDYUDEFUOSU-NWDGAFQWSA-N 1 0 305.440 1.521 10 0 DDAERO O=S(=O)(NCc1cccc(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000088056111 185238473 /nfs/dbraw/zinc/23/84/73/185238473.db2.gz IRNOKHNGYZIABF-LLVKDONJSA-N 1 0 308.325 1.487 10 0 DDAERO C[C@H](C[NH3+])S(=O)(=O)Cc1cc(F)cc(Br)c1 ZINC000088068465 185238762 /nfs/dbraw/zinc/23/87/62/185238762.db2.gz FQAWIAWPOGPIQD-SSDOTTSWSA-N 1 0 310.188 1.850 10 0 DDAERO CC[C@H]1CN(c2nc(NN)[nH+]cc2Br)CCO1 ZINC000087854094 185233697 /nfs/dbraw/zinc/23/36/97/185233697.db2.gz UAAWCBZIYITSAY-ZETCQYMHSA-N 1 0 302.176 1.140 10 0 DDAERO NNc1nc(N[C@@H]2CCCC[C@H]2O)c(Br)c[nH+]1 ZINC000087869369 185234085 /nfs/dbraw/zinc/23/40/85/185234085.db2.gz IFZUJSMQFBESGM-HTQZYQBOSA-N 1 0 302.176 1.240 10 0 DDAERO NNc1nc(OC[C@H]2CCCCO2)c(Br)c[nH+]1 ZINC000087878435 185234167 /nfs/dbraw/zinc/23/41/67/185234167.db2.gz UEVODEGOCRREGV-SSDOTTSWSA-N 1 0 303.160 1.473 10 0 DDAERO CC1(C)C[NH2+]CCN1c1ccc(C(N)=O)c(C(F)(F)F)c1 ZINC000088147166 185240723 /nfs/dbraw/zinc/24/07/23/185240723.db2.gz UAXOHNJYNMOHPA-UHFFFAOYSA-N 1 0 301.312 1.993 10 0 DDAERO COC[C@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(F)c(F)c1 ZINC000182277451 539239301 /nfs/dbraw/zinc/23/93/01/539239301.db2.gz CBDVYYAOVHZJPQ-LRDDRELGSA-N 1 0 314.376 1.963 10 0 DDAERO CC(C)C[C@@H](C[NH3+])CC(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000088276516 185244589 /nfs/dbraw/zinc/24/45/89/185244589.db2.gz VPTASBJSSDEMJL-LLVKDONJSA-N 1 0 313.423 1.435 10 0 DDAERO [NH3+][C@@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000088312010 185245219 /nfs/dbraw/zinc/24/52/19/185245219.db2.gz PLHOGSHCRGTASK-MNOVXSKESA-N 1 0 310.202 1.883 10 0 DDAERO COC(=O)[C@@](C)(C[NH+]1CCC(C(F)(F)F)CC1)NC1CC1 ZINC000088435585 185250384 /nfs/dbraw/zinc/25/03/84/185250384.db2.gz ZCRPAMWDSJHLGT-CYBMUJFWSA-N 1 0 308.344 1.944 10 0 DDAERO O=S1(=O)CC[C@H]([NH2+]CCN2CCC(C(F)(F)F)CC2)C1 ZINC000088438327 185250735 /nfs/dbraw/zinc/25/07/35/185250735.db2.gz FISGKYCMXMVHMS-NSHDSACASA-N 1 0 314.373 1.037 10 0 DDAERO CN1CCN(S(=O)(=O)c2ccc(C[NH2+]C(C)(C)C)o2)CC1 ZINC000088543451 185256821 /nfs/dbraw/zinc/25/68/21/185256821.db2.gz ISMFDTZHVFWBON-UHFFFAOYSA-N 1 0 315.439 1.104 10 0 DDAERO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(C=O)o2)CC1 ZINC000088541306 185255570 /nfs/dbraw/zinc/25/55/70/185255570.db2.gz ZSYVWFLKNQPSEX-UHFFFAOYSA-N 1 0 300.380 1.245 10 0 DDAERO C[C@@H]([NH2+]Cc1cc(=O)n(C)c(=O)n1C)c1ccc(F)c(F)c1 ZINC000192480121 539259636 /nfs/dbraw/zinc/25/96/36/539259636.db2.gz IIPQVSXKCQRTNV-SECBINFHSA-N 1 0 309.316 1.213 10 0 DDAERO C[NH2+][C@H](Cc1ncnn1C)Cc1ccc(Br)cc1 ZINC000088581725 185258445 /nfs/dbraw/zinc/25/84/45/185258445.db2.gz OLWQTICPJLLQSD-LBPRGKRZSA-N 1 0 309.211 1.951 10 0 DDAERO CN(CC[NH+]1CCCC1)C(=O)c1sc2nccnc2c1N ZINC000088643374 185261166 /nfs/dbraw/zinc/26/11/66/185261166.db2.gz PEKVCBZNEBBXKU-UHFFFAOYSA-N 1 0 305.407 1.441 10 0 DDAERO CCOC(=O)[C@H]1C[NH2+]CCN1Cc1ccc(Br)o1 ZINC000088658229 185261741 /nfs/dbraw/zinc/26/17/41/185261741.db2.gz KFNWALRCBGZIES-SNVBAGLBSA-N 1 0 317.183 1.379 10 0 DDAERO CCOC(=O)[C@@H]1C[NH2+]CCN1c1cccc(C(F)(F)F)n1 ZINC000088673145 185262010 /nfs/dbraw/zinc/26/20/10/185262010.db2.gz OAHLJZFGIJYMQU-VIFPVBQESA-N 1 0 303.284 1.442 10 0 DDAERO C[NH2+]C[C@H](Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000088790137 185265771 /nfs/dbraw/zinc/26/57/71/185265771.db2.gz RAARUGNXPYNJEP-NEPJUHHUSA-N 1 0 302.827 1.548 10 0 DDAERO Cc1oc(C)c(S(=O)(=O)N(C)C2CC[NH+](C)CC2)c1CO ZINC000088876095 185267988 /nfs/dbraw/zinc/26/79/88/185267988.db2.gz YCOIJWDKNHHZOC-UHFFFAOYSA-N 1 0 316.423 1.103 10 0 DDAERO COCCCS(=O)(=O)[C@H]1CCc2cc(OC)ccc2[C@@H]1[NH3+] ZINC000081985713 192349328 /nfs/dbraw/zinc/34/93/28/192349328.db2.gz BJUAPIIYFAVTFW-GJZGRUSLSA-N 1 0 313.419 1.461 10 0 DDAERO COC[C@@H]1CN(CC[N@H+](C)Cc2ccc(F)cc2)C[C@H](C)O1 ZINC000253341789 282214685 /nfs/dbraw/zinc/21/46/85/282214685.db2.gz ZMANJFHOXGMJOW-YOEHRIQHSA-N 1 0 310.413 1.993 10 0 DDAERO CN1C(=O)CC[C@@H]([NH2+]Cc2cc3c(c(Cl)c2)OCO3)C1=O ZINC000090027225 185278937 /nfs/dbraw/zinc/27/89/37/185278937.db2.gz BAZLZTODKYEVJT-SNVBAGLBSA-N 1 0 310.737 1.306 10 0 DDAERO CCn1cncc1[C@H](C[NH3+])N1CCN(CC(F)(F)F)CC1 ZINC000090174329 185285109 /nfs/dbraw/zinc/28/51/09/185285109.db2.gz SUIJXNBMWATHAU-NSHDSACASA-N 1 0 305.348 1.083 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN(C(=O)c2cc(C)on2)CC1 ZINC000090253796 185288104 /nfs/dbraw/zinc/28/81/04/185288104.db2.gz WREGNSBOBJMVTO-GFCCVEGCSA-N 1 0 310.423 1.196 10 0 DDAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NS(=O)(=O)c1ccc(C)cc1Cl ZINC000090313009 185290777 /nfs/dbraw/zinc/29/07/77/185290777.db2.gz KPACDRTXHXYANZ-LOWVWBTDSA-N 1 0 318.826 1.431 10 0 DDAERO O=S(=O)(c1cccc(C(F)(F)F)c1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090321907 185290846 /nfs/dbraw/zinc/29/08/46/185290846.db2.gz LFKNTSKVEQQPDX-UWVGGRQHSA-N 1 0 320.336 1.545 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1S(=O)(=O)c1cccc(Cl)c1 ZINC000090336942 185291957 /nfs/dbraw/zinc/29/19/57/185291957.db2.gz OUOSSHNBQKQPNJ-GWCFXTLKSA-N 1 0 314.838 1.959 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1cc(F)ccc1F ZINC000090336822 185292014 /nfs/dbraw/zinc/29/20/14/185292014.db2.gz DZACFGXHUXBIOR-MWLCHTKSSA-N 1 0 316.373 1.583 10 0 DDAERO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@@H]1COC[C@@H]1[NH3+] ZINC000090381706 185293621 /nfs/dbraw/zinc/29/36/21/185293621.db2.gz WUDFGMMEDRRGSW-KOLCDFICSA-N 1 0 303.189 1.926 10 0 DDAERO C[C@@H](NC(=O)[C@H]1COC[C@@H]1[NH3+])c1ccccc1Br ZINC000090379905 185293717 /nfs/dbraw/zinc/29/37/17/185293717.db2.gz KYRZPFQOFOOFQY-QRTLGDNMSA-N 1 0 313.195 1.600 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cc(Cl)ccc1C(=O)OC ZINC000090432954 185296212 /nfs/dbraw/zinc/29/62/12/185296212.db2.gz KPVMOFVYCNRSGG-CMPLNLGQSA-N 1 0 312.753 1.300 10 0 DDAERO C[C@@]1(C(=O)Nc2c3nsnc3ccc2Cl)COC[C@@H]1[NH3+] ZINC000090605881 185306433 /nfs/dbraw/zinc/30/64/33/185306433.db2.gz KZFXDYOGDFGOBJ-QPUJVOFHSA-N 1 0 312.782 1.647 10 0 DDAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1nc2c(s1)CCCC2 ZINC000090543907 185302057 /nfs/dbraw/zinc/30/20/57/185302057.db2.gz TVAAGWCULQYUGM-ZYHUDNBSSA-N 1 0 309.435 1.975 10 0 DDAERO O=C(c1ccc(=O)oc1)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000090700822 185310447 /nfs/dbraw/zinc/31/04/47/185310447.db2.gz UOYKGKLGNXTHCB-AWEZNQCLSA-N 1 0 322.430 1.683 10 0 DDAERO Cc1noc(C)c1[C@@H](C)NS(=O)(=O)c1ccsc1C[NH3+] ZINC000092343991 185313380 /nfs/dbraw/zinc/31/33/80/185313380.db2.gz PDKFDXOAGIRSGD-MRVPVSSYSA-N 1 0 315.420 1.851 10 0 DDAERO CC[NH2+]C[C@H](C)Cc1c(C)nn(CCS(C)(=O)=O)c1C ZINC000092323517 185312293 /nfs/dbraw/zinc/31/22/93/185312293.db2.gz HSNQNTISECAMFS-LLVKDONJSA-N 1 0 301.456 1.333 10 0 DDAERO CC[NH2+]C[C@@H](C)c1c(C)nn(CCS(=O)(=O)CC)c1C ZINC000092323558 185312376 /nfs/dbraw/zinc/31/23/76/185312376.db2.gz OAAGCKVCRJNRHL-LLVKDONJSA-N 1 0 301.456 1.648 10 0 DDAERO CC[C@H](C)[NH+]1CCN(C[C@@H](O)COCc2ccccc2)CC1 ZINC000295887769 529700715 /nfs/dbraw/zinc/70/07/15/529700715.db2.gz CNGULGHCCHMDAP-FUHWJXTLSA-N 1 0 306.450 1.980 10 0 DDAERO CCN(C1(C[NH3+])CCCC1)S(=O)(=O)c1cn(CC)cn1 ZINC000092889815 185347952 /nfs/dbraw/zinc/34/79/52/185347952.db2.gz UEUXOACMKWSNKB-UHFFFAOYSA-N 1 0 300.428 1.185 10 0 DDAERO CCCc1nnc(N2CCC3(CC2)C[N@H+](C)CCCN3C)o1 ZINC000095391031 185351585 /nfs/dbraw/zinc/35/15/85/185351585.db2.gz ADLGOBQATVDYJD-UHFFFAOYSA-N 1 0 307.442 1.628 10 0 DDAERO CCC[NH2+][C@H](C)[C@H]1CCCN(S(=O)(=O)c2cn[nH]c2)C1 ZINC000111713486 185628716 /nfs/dbraw/zinc/62/87/16/185628716.db2.gz CIPAJYJJDQYKFY-NEPJUHHUSA-N 1 0 300.428 1.199 10 0 DDAERO CCOCCS(=O)(=O)N1CCC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000111719793 185630789 /nfs/dbraw/zinc/63/07/89/185630789.db2.gz HHOXPAYSHOHCMV-CYBMUJFWSA-N 1 0 306.472 1.453 10 0 DDAERO [NH3+]CCN1c2ccccc2NC[C@H]1S(=O)(=O)c1ccccc1 ZINC000616684495 362778591 /nfs/dbraw/zinc/77/85/91/362778591.db2.gz LZMMLSFVZOAENA-MRXNPFEDSA-N 1 0 317.414 1.677 10 0 DDAERO CC(C)(C)OC(=O)NC[C@H]1CNc2ccccc2N1CC[NH3+] ZINC000616683357 362779043 /nfs/dbraw/zinc/77/90/43/362779043.db2.gz FPWWQWJMGKUAFZ-GFCCVEGCSA-N 1 0 306.410 1.771 10 0 DDAERO Cn1cnc2c1[C@](C)(C1CN(C(=O)OC(C)(C)C)C1)[NH2+]CC2 ZINC000725242851 539568313 /nfs/dbraw/zinc/56/83/13/539568313.db2.gz ZVINODIUINZHAC-INIZCTEOSA-N 1 0 306.410 1.648 10 0 DDAERO C[C@@H]1CC[C@@H](C[NH3+])CN1S(=O)(=O)c1ccc(F)cc1F ZINC000070181309 190868508 /nfs/dbraw/zinc/86/85/08/190868508.db2.gz JROUZXHQAKWCKJ-ZJUUUORDSA-N 1 0 304.362 1.713 10 0 DDAERO C[NH2+]CC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1OC ZINC000070192600 190870760 /nfs/dbraw/zinc/87/07/60/190870760.db2.gz JIMSJHHVOMCSNI-ZDUSSCGKSA-N 1 0 312.435 1.848 10 0 DDAERO CNC(=O)[C@@H](C)[NH2+]Cc1ccc(I)cc1 ZINC000083849296 192386836 /nfs/dbraw/zinc/38/68/36/192386836.db2.gz MYHKCFCBHXFWFX-MRVPVSSYSA-N 1 0 318.158 1.515 10 0 DDAERO COC(=O)CCN(CCC[NH+](C)C)C(=O)NC1CCCCC1 ZINC000071622969 190994857 /nfs/dbraw/zinc/99/48/57/190994857.db2.gz JFPBDFPSQZRUSO-UHFFFAOYSA-N 1 0 313.442 1.846 10 0 DDAERO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2c[nH]c(=O)[nH]2)C1 ZINC000072168735 191068299 /nfs/dbraw/zinc/06/82/99/191068299.db2.gz POGIFTILQOYPJV-AWEZNQCLSA-N 1 0 314.389 1.440 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccccc2F)C1 ZINC000150797230 186066387 /nfs/dbraw/zinc/06/63/87/186066387.db2.gz OYEGBWJUTROEJR-RISCZKNCSA-N 1 0 307.369 1.609 10 0 DDAERO CC(=O)N1CCC[C@@H](c2ccc(N3CC[NH+](C)CC3)cn2)C1 ZINC000072364706 191133136 /nfs/dbraw/zinc/13/31/36/191133136.db2.gz HKLGCSMSCCGEQM-OAHLLOKOSA-N 1 0 302.422 1.559 10 0 DDAERO Cn1c2ccc(NC(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2oc1=O ZINC000171893942 198003138 /nfs/dbraw/zinc/00/31/38/198003138.db2.gz JXACRXLNHOATBW-LBPRGKRZSA-N 1 0 316.361 1.443 10 0 DDAERO Cc1cnn(CCNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000172292220 198072052 /nfs/dbraw/zinc/07/20/52/198072052.db2.gz PEAWEZJGKQNWBT-OAHLLOKOSA-N 1 0 305.426 1.461 10 0 DDAERO CC(C)OC(=O)[C@H](C)CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000173000801 198175830 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CCCN(CC(C)(C)C[NH3+])S(=O)(=O)N1CCCC[C@@H]1C ZINC000093890942 193323551 /nfs/dbraw/zinc/32/35/51/193323551.db2.gz HVMPRKDFMWGSIN-ZDUSSCGKSA-N 1 0 305.488 1.803 10 0 DDAERO CC(C)N(CC1CC[NH2+]CC1)S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000094024065 193339141 /nfs/dbraw/zinc/33/91/41/193339141.db2.gz RDPBDGWCQQOWIX-CQSZACIVSA-N 1 0 317.499 1.673 10 0 DDAERO CCC[NH2+][C@@H](CCCS(C)(=O)=O)[C@H]1CN(CCC)CCO1 ZINC000093921007 193328122 /nfs/dbraw/zinc/32/81/22/193328122.db2.gz OCUQVHNBLUIQIK-LSDHHAIUSA-N 1 0 320.499 1.290 10 0 DDAERO CC[NH2+][C@H]1[C@H](S(=O)(=O)CCC(=O)OC)CCCC1(C)C ZINC000094281728 193356446 /nfs/dbraw/zinc/35/64/46/193356446.db2.gz RJSZAXYZWOOGJO-YPMHNXCESA-N 1 0 305.440 1.521 10 0 DDAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1OC)N(C)CCS(C)(=O)=O ZINC000094297510 193356712 /nfs/dbraw/zinc/35/67/12/193356712.db2.gz GJNNPDDWOICAHD-UKRRQHHQSA-N 1 0 314.451 1.450 10 0 DDAERO C[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)N(C)CCS(C)(=O)=O ZINC000094297337 193356805 /nfs/dbraw/zinc/35/68/05/193356805.db2.gz 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CNC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CC[C@H](C[NH3+])O2)c1 ZINC000094566652 193380858 /nfs/dbraw/zinc/38/08/58/193380858.db2.gz VHMJTMNZHSMRTJ-BXKDBHETSA-N 1 0 311.769 1.144 10 0 DDAERO C[C@H](CNC(=O)c1cccc(C(F)(F)F)c1NN)[NH+](C)C ZINC000094599457 193383064 /nfs/dbraw/zinc/38/30/64/193383064.db2.gz QLFGGZXYZSNTRM-MRVPVSSYSA-N 1 0 304.316 1.671 10 0 DDAERO [NH3+]CCCOC1CCN(c2nc3ccc(Cl)cn3n2)CC1 ZINC000094609278 193384525 /nfs/dbraw/zinc/38/45/25/193384525.db2.gz VTHZASOTMKQVLX-UHFFFAOYSA-N 1 0 309.801 1.717 10 0 DDAERO CC[NH+](CC)CCCNS(=O)(=O)c1cc(N)c(F)cc1C ZINC000094779031 193396444 /nfs/dbraw/zinc/39/64/44/193396444.db2.gz BEWNSPYXFVLEGE-UHFFFAOYSA-N 1 0 317.430 1.727 10 0 DDAERO [NH3+]CCS(=O)(=O)CCOc1ccc(Br)cc1 ZINC000020399463 182214169 /nfs/dbraw/zinc/21/41/69/182214169.db2.gz KHDNMONDPOOURG-UHFFFAOYSA-N 1 0 308.197 1.201 10 0 DDAERO Cc1cc(Br)cc(C)c1NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000020434589 182217015 /nfs/dbraw/zinc/21/70/15/182217015.db2.gz KSBVWCBHWWWGOC-MNOVXSKESA-N 1 0 313.195 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ZINC000042768365 183306824 /nfs/dbraw/zinc/30/68/24/183306824.db2.gz PBNADLDWWVTHQA-UHFFFAOYSA-N 1 0 310.341 1.859 10 0 DDAERO Cc1ccc([C@H]([C@@H](C)[NH3+])N(C)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000043241131 183345752 /nfs/dbraw/zinc/34/57/52/183345752.db2.gz BIZKYZIVGLDGPF-WZRBSPASSA-N 1 0 302.465 1.564 10 0 DDAERO C[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043253015 183347648 /nfs/dbraw/zinc/34/76/48/183347648.db2.gz RTOWBNRIWCEDAQ-KBVBSXBZSA-N 1 0 322.883 1.909 10 0 DDAERO COCCCNC(=O)[C@@H](C)Oc1ccc(CC[NH3+])cc1Cl ZINC000043490811 183366394 /nfs/dbraw/zinc/36/63/94/183366394.db2.gz APIDSUMFPRSQAC-LLVKDONJSA-N 1 0 314.813 1.761 10 0 DDAERO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(Br)c(F)c1 ZINC000043589581 183374039 /nfs/dbraw/zinc/37/40/39/183374039.db2.gz WJAAPXJRABIMFS-QWRGUYRKSA-N 1 0 317.158 1.305 10 0 DDAERO COc1ccc(NC(=O)[C@@H]2C[NH2+]CCO2)cc1OC(F)F ZINC000043709133 183382944 /nfs/dbraw/zinc/38/29/44/183382944.db2.gz YKEQCICCCPCHPL-NSHDSACASA-N 1 0 302.277 1.224 10 0 DDAERO [NH3+]CCc1ccc(S(=O)(=O)NCCc2ccsc2)cc1 ZINC000044594574 183426198 /nfs/dbraw/zinc/42/61/98/183426198.db2.gz BMHOTLWJFJGEOM-UHFFFAOYSA-N 1 0 310.444 1.770 10 0 DDAERO [NH3+]CCc1ccc(S(=O)(=O)NCc2cccc(F)c2)cc1 ZINC000044594354 183426376 /nfs/dbraw/zinc/42/63/76/183426376.db2.gz YAPKWUASLSENFH-UHFFFAOYSA-N 1 0 308.378 1.805 10 0 DDAERO O=C(NCc1nccn1C(F)F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105225723 194086123 /nfs/dbraw/zinc/08/61/23/194086123.db2.gz GMZVJAZQZQHUNG-NSHDSACASA-N 1 0 313.352 1.658 10 0 DDAERO CCOC(=O)CCC[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105870046 194151051 /nfs/dbraw/zinc/15/10/51/194151051.db2.gz SVGDQCOEUQZZGY-UHFFFAOYSA-N 1 0 308.426 1.271 10 0 DDAERO Cc1cnn([C@@H]2CCC[N@H+](C[C@H](O)COCc3ccco3)C2)c1 ZINC000105904335 194165887 /nfs/dbraw/zinc/16/58/87/194165887.db2.gz GSSPXODDORQEDR-CVEARBPZSA-N 1 0 319.405 1.999 10 0 DDAERO COCc1ccccc1C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000285088091 218285108 /nfs/dbraw/zinc/28/51/08/218285108.db2.gz DKXHQECFDSVLMT-HZPDHXFCSA-N 1 0 304.390 1.378 10 0 DDAERO Cc1c(Cl)cccc1NS(=O)(=O)CCN1CC[NH2+]CC1 ZINC000049640669 183750143 /nfs/dbraw/zinc/75/01/43/183750143.db2.gz RUADEHWASJFDGT-UHFFFAOYSA-N 1 0 317.842 1.295 10 0 DDAERO CCNC(=O)CN(C)c1cc(Br)ccc1C[NH2+]C ZINC000049727830 183756482 /nfs/dbraw/zinc/75/64/82/183756482.db2.gz IDAZYJBZCKKUSX-UHFFFAOYSA-N 1 0 314.227 1.741 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN(C(=O)CC(F)(F)F)CC1 ZINC000109463752 194265831 /nfs/dbraw/zinc/26/58/31/194265831.db2.gz IZBOWACJTLQGPX-SECBINFHSA-N 1 0 311.373 1.538 10 0 DDAERO CCC[C@@H](C(N)=S)[NH+]1CCN(CCc2cccnc2)CC1 ZINC000109470250 194267513 /nfs/dbraw/zinc/26/75/13/194267513.db2.gz MKDCRBOGIMYYPF-HNNXBMFYSA-N 1 0 306.479 1.697 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCC(=O)Nc1cccc(F)c1 ZINC000051716672 183835048 /nfs/dbraw/zinc/83/50/48/183835048.db2.gz NHJUOQQHNFYIKL-LBPRGKRZSA-N 1 0 324.400 1.794 10 0 DDAERO CC[C@@H]1CN(Cc2nc(=NN)c3ccsc3[nH]2)CC[N@@H+]1C ZINC000110743409 194356348 /nfs/dbraw/zinc/35/63/48/194356348.db2.gz FGEVSTUFHHWYGG-SNVBAGLBSA-N 1 0 306.439 1.503 10 0 DDAERO O=C(C[NH2+][C@@H]1CCC(=O)NC1)Nc1c(Cl)cccc1Cl ZINC000111020200 194384181 /nfs/dbraw/zinc/38/41/81/194384181.db2.gz FBAKXRUXTLSLNQ-MRVPVSSYSA-N 1 0 316.188 1.800 10 0 DDAERO CC[NH2+][C@H]1CCC2(C[C@@H]1N(CC)CCOCC)OCCO2 ZINC000111119038 194392533 /nfs/dbraw/zinc/39/25/33/194392533.db2.gz JIPMPJKSBXIVDM-GJZGRUSLSA-N 1 0 300.443 1.619 10 0 DDAERO CCC[NH2+][C@H](Cc1ccc(OC)c(F)c1)CS(C)(=O)=O ZINC000060706189 184154509 /nfs/dbraw/zinc/15/45/09/184154509.db2.gz LTKALKMOKRVBFH-GFCCVEGCSA-N 1 0 303.399 1.790 10 0 DDAERO C[NH2+][C@@H](Cc1ccc(Br)cc1F)CS(C)(=O)=O ZINC000060705692 184154618 /nfs/dbraw/zinc/15/46/18/184154618.db2.gz FHZXDUGRTAYHTB-JTQLQIEISA-N 1 0 324.215 1.763 10 0 DDAERO O=S(=O)(C[C@@H]1CCC[NH2+]C1)Nc1cc(F)c(F)cc1F ZINC000061094743 184161833 /nfs/dbraw/zinc/16/18/33/184161833.db2.gz DVVYKIGOKNHUQD-MRVPVSSYSA-N 1 0 308.325 1.845 10 0 DDAERO C[C@H](C1CC1)N(CC(F)(F)F)C(=O)CN1CCC[NH2+]CC1 ZINC000061271987 184167131 /nfs/dbraw/zinc/16/71/31/184167131.db2.gz HUJXCFMMYCAEAF-LLVKDONJSA-N 1 0 307.360 1.471 10 0 DDAERO CC[NH2+]C[C@@H](C)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000061267476 184167223 /nfs/dbraw/zinc/16/72/23/184167223.db2.gz FAJYAPJKHBAWQZ-VXGBXAGGSA-N 1 0 312.435 1.513 10 0 DDAERO CCCn1c(S[C@@H](c2ccncc2)[C@@H]([NH3+])CC)n[nH]c1=O ZINC000061594813 184176645 /nfs/dbraw/zinc/17/66/45/184176645.db2.gz IDZSTECJPZRHEP-RYUDHWBXSA-N 1 0 307.423 1.947 10 0 DDAERO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCN2 ZINC000061653239 184181294 /nfs/dbraw/zinc/18/12/94/184181294.db2.gz JZKYQFUGPBSAGY-ZDUSSCGKSA-N 1 0 309.435 1.369 10 0 DDAERO [NH3+]Cc1ccccc1CNS(=O)(=O)CCc1ccncc1 ZINC000061841273 184189234 /nfs/dbraw/zinc/18/92/34/184189234.db2.gz ZZSYIDOGBWETJM-UHFFFAOYSA-N 1 0 305.403 1.202 10 0 DDAERO C[C@H](CN[C@H]1CS(=O)(=O)c2ccccc21)C[NH+]1CCCC1 ZINC000062069509 184204590 /nfs/dbraw/zinc/20/45/90/184204590.db2.gz VYFXVZHYVQIVNW-HIFRSBDPSA-N 1 0 308.447 1.837 10 0 DDAERO CC[C@@H]([NH3+])Cc1ccc(O[C@H](C)C(N)=O)c(Br)c1 ZINC000062705224 184248719 /nfs/dbraw/zinc/24/87/19/184248719.db2.gz YMQIZYJVBJJPHP-PSASIEDQSA-N 1 0 315.211 1.982 10 0 DDAERO CC(C)(C)[NH2+]Cc1c(N2CCNC(=O)C2)nc2sccn12 ZINC000062734817 184251563 /nfs/dbraw/zinc/25/15/63/184251563.db2.gz NMVBMJJFGCSTDM-UHFFFAOYSA-N 1 0 307.423 1.220 10 0 DDAERO CC[C@@]1(C(=O)Nc2ccc(S(C)(=O)=O)cc2)CCC[NH2+]C1 ZINC000062852879 184256669 /nfs/dbraw/zinc/25/66/69/184256669.db2.gz BRNKWKRSURPXJY-OAHLLOKOSA-N 1 0 310.419 1.808 10 0 DDAERO C[C@@H]([NH2+]Cc1ccc(O)c(Br)c1)C(=O)N(C)C ZINC000062702012 184248313 /nfs/dbraw/zinc/24/83/13/184248313.db2.gz SWNJACJVYULYNY-MRVPVSSYSA-N 1 0 301.184 1.721 10 0 DDAERO Cc1ccsc1[C@H]([C@@H](C)[NH3+])N1CC[C@H](N2CCOCC2)C1 ZINC000062977922 184264286 /nfs/dbraw/zinc/26/42/86/184264286.db2.gz HNEOZTOFCLVNCX-ILXRZTDVSA-N 1 0 309.479 1.851 10 0 DDAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)N1CCOc2ccccc2C1 ZINC000063013967 184266400 /nfs/dbraw/zinc/26/64/00/184266400.db2.gz UZAYLUWKSNELRG-ZDUSSCGKSA-N 1 0 310.419 1.210 10 0 DDAERO CC[C@@H]([NH3+])Cc1ccc(OC)c(OCCCS(C)(=O)=O)c1 ZINC000063017568 184266976 /nfs/dbraw/zinc/26/69/76/184266976.db2.gz OFVOWPVFFCIXRT-CYBMUJFWSA-N 1 0 315.435 1.789 10 0 DDAERO CC[C@@H]([NH3+])Cc1ccc(OC)cc1OCCCS(C)(=O)=O ZINC000063017579 184267186 /nfs/dbraw/zinc/26/71/86/184267186.db2.gz GJVMASSDJJCWSC-CYBMUJFWSA-N 1 0 315.435 1.789 10 0 DDAERO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cnc(Cl)s1 ZINC000063121945 184272000 /nfs/dbraw/zinc/27/20/00/184272000.db2.gz HWIMDLGYAGJUAY-UHFFFAOYSA-N 1 0 323.871 1.759 10 0 DDAERO Cc1csc(CC[NH2+]C2CCN(CC(=O)N(C)C)CC2)n1 ZINC000063132820 184272628 /nfs/dbraw/zinc/27/26/28/184272628.db2.gz RNIOBQZOFAHKSH-UHFFFAOYSA-N 1 0 310.467 1.136 10 0 DDAERO [NH3+]C1(C(=O)NCCc2ccccc2C(F)(F)F)CCOCC1 ZINC000261880099 207366674 /nfs/dbraw/zinc/36/66/74/207366674.db2.gz PCXVNFMFNJQFKI-UHFFFAOYSA-N 1 0 316.323 1.872 10 0 DDAERO C[C@H](C[C@](C)([NH3+])C(N)=O)Sc1ccc(S(C)(=O)=O)cc1 ZINC000068643015 184495547 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DDAERO CCO[C@@H]1C[C@H]([NH2+]C2CC([N@H+](CC)CC(=O)[O-])C2)[C@@H]1SC ZINC000263504896 286382309 /nfs/dbraw/zinc/38/23/09/286382309.db2.gz LTTULAUIQFOPQN-MIQYRIAESA-N 1 0 316.467 1.423 10 0 DDAERO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000186001854 407562934 /nfs/dbraw/zinc/56/29/34/407562934.db2.gz OPHDYWIPAKAUSR-QNWHQSFQSA-N 1 0 311.426 1.485 10 0 DDAERO [NH3+][C@H]1CCN(c2ncccc2-c2nc(-c3cccnc3)no2)C1 ZINC000070458037 406816556 /nfs/dbraw/zinc/81/65/56/406816556.db2.gz SBGQHQOQTVTRON-LBPRGKRZSA-N 1 0 308.345 1.731 10 0 DDAERO Fc1ccc(-n2nncc2CN2CCC[NH2+]CC2)cc1Cl ZINC000070461040 406818038 /nfs/dbraw/zinc/81/80/38/406818038.db2.gz NNTPQWLKURZLHP-UHFFFAOYSA-N 1 0 309.776 1.855 10 0 DDAERO COc1ccc(CNS(=O)(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000011849270 406832174 /nfs/dbraw/zinc/83/21/74/406832174.db2.gz ZDHYIKGRMRTXRD-UHFFFAOYSA-N 1 0 306.387 1.632 10 0 DDAERO CC[NH+](CC)CC(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000075225394 406926882 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CC[C@@](C)(O)C[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000123275860 407324298 /nfs/dbraw/zinc/32/42/98/407324298.db2.gz OSKFOLFRRVOOOY-QGZVFWFLSA-N 1 0 305.422 1.404 10 0 DDAERO O=C1CC[N@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CCN1 ZINC000122645335 407307568 /nfs/dbraw/zinc/30/75/68/407307568.db2.gz HHOKUNJMPVWROX-ZDUSSCGKSA-N 1 0 307.781 1.655 10 0 DDAERO COC[C@H](C)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000103430144 407338602 /nfs/dbraw/zinc/33/86/02/407338602.db2.gz XKWFMOFXWMPNQA-INIZCTEOSA-N 1 0 319.449 1.597 10 0 DDAERO CC[C@H]1CN(Cc2cccc(C(N)=O)c2)CC[N@@H+]1C[C@@H](C)O ZINC000105827056 407355801 /nfs/dbraw/zinc/35/58/01/407355801.db2.gz IZCQFKOWEBKAPH-CJNGLKHVSA-N 1 0 305.422 1.063 10 0 DDAERO Cn1cc([C@@H]2CCCN2C(=O)NC[C@H]2CCC[N@H+](C)C2)cn1 ZINC000108590878 407389087 /nfs/dbraw/zinc/38/90/87/407389087.db2.gz RXRFDWABPAMBDR-HIFRSBDPSA-N 1 0 305.426 1.608 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(=O)n2ccsc2n1 ZINC000113271291 407485058 /nfs/dbraw/zinc/48/50/58/407485058.db2.gz PWFMNMHQGBHRDO-WCQYABFASA-N 1 0 304.419 1.425 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(F)ccc1F ZINC000113305893 407492871 /nfs/dbraw/zinc/49/28/71/407492871.db2.gz WGXDSYIHGRVPDA-ZYHUDNBSSA-N 1 0 316.373 1.822 10 0 DDAERO O=C(NC1CC1)[C@H]1CCC[N@H+]1C[C@@H](O)COCc1ccccc1 ZINC000113505238 407509942 /nfs/dbraw/zinc/50/99/42/407509942.db2.gz GBFLDBXVJRBJQI-IAGOWNOFSA-N 1 0 318.417 1.307 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1cccc(F)c1 ZINC000113444910 407504115 /nfs/dbraw/zinc/50/41/15/407504115.db2.gz VRGWXAQROBXHAS-IUODEOHRSA-N 1 0 319.380 1.251 10 0 DDAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1nncn1C1CC1 ZINC000112905695 407446256 /nfs/dbraw/zinc/44/62/56/407446256.db2.gz YNEGVLKJCMHTJW-OAHLLOKOSA-N 1 0 313.405 1.402 10 0 DDAERO CCNC(=O)c1ccc(C)c(NC(=O)[C@H]([NH3+])C2CCOCC2)c1 ZINC000261627187 407557594 /nfs/dbraw/zinc/55/75/94/407557594.db2.gz CRMVZVPPDJZUQX-OAHLLOKOSA-N 1 0 319.405 1.437 10 0 DDAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)COc1ccc(O)cc1 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CCOc1ccc(OCc2nc([C@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263243849 408073823 /nfs/dbraw/zinc/07/38/23/408073823.db2.gz PAPXWMYEDFHVPQ-CQSZACIVSA-N 1 0 318.377 1.623 10 0 DDAERO CN1CC[NH2+]C[C@H]1c1noc([C@H]2OCCc3ccccc32)n1 ZINC000263252707 408076821 /nfs/dbraw/zinc/07/68/21/408076821.db2.gz QDLMKDATMALALV-KBPBESRZSA-N 1 0 300.362 1.308 10 0 DDAERO CN1CC[NH2+]C[C@@H]1c1noc(CCC(=O)c2cccs2)n1 ZINC000263273335 408085521 /nfs/dbraw/zinc/08/55/21/408085521.db2.gz SNJFUPKDQUIGMR-SNVBAGLBSA-N 1 0 306.391 1.523 10 0 DDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cc(Br)c[nH]c1=O ZINC000263301556 408099166 /nfs/dbraw/zinc/09/91/66/408099166.db2.gz ZQPPKOLXHWAHEJ-IMTBSYHQSA-N 1 0 302.172 1.862 10 0 DDAERO CC[NH+](CC)CC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000136366328 408099834 /nfs/dbraw/zinc/09/98/34/408099834.db2.gz KRHVMASFBFYESR-AWEZNQCLSA-N 1 0 305.426 1.246 10 0 DDAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H](C(N)=O)C2)C1 ZINC000246025216 408121160 /nfs/dbraw/zinc/12/11/60/408121160.db2.gz 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KIOQGWSFYRNVJV-LBPRGKRZSA-N 1 0 315.483 1.235 10 0 DDAERO C[NH2+][C@H](C)CNC(=O)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000261725551 698434697 /nfs/dbraw/zinc/43/46/97/698434697.db2.gz LDNYWVMVNKGVIU-SNVBAGLBSA-N 1 0 317.345 1.451 10 0 DDAERO [NH3+]CC1(C(=O)N[C@H]2CCCOc3ccc(F)cc32)CCOCC1 ZINC000261885281 698442720 /nfs/dbraw/zinc/44/27/20/698442720.db2.gz FSZILRXZSNIUTN-AWEZNQCLSA-N 1 0 322.380 1.911 10 0 DDAERO [NH3+][C@@H](C(=O)NC[C@@H](O)c1cccc(Cl)c1)C1CCOCC1 ZINC000261880910 698443188 /nfs/dbraw/zinc/44/31/88/698443188.db2.gz UORGOVIADDUHJW-ZIAGYGMSSA-N 1 0 312.797 1.244 10 0 DDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000262137512 698456381 /nfs/dbraw/zinc/45/63/81/698456381.db2.gz MBBZRYDWTAEPPF-XJKSGUPXSA-N 1 0 305.397 1.862 10 0 DDAERO COC[C@H]([NH3+])C(=O)N1CCc2c(Br)cccc2C1 ZINC000262219129 698459875 /nfs/dbraw/zinc/45/98/75/698459875.db2.gz FMTRBJNJOXHHSM-LBPRGKRZSA-N 1 0 313.195 1.308 10 0 DDAERO COC[C@H]([NH3+])C(=O)N[C@H](C)COc1ccccc1C(F)(F)F ZINC000262241389 698460656 /nfs/dbraw/zinc/46/06/56/698460656.db2.gz HTSABINBLMNTDV-KOLCDFICSA-N 1 0 320.311 1.563 10 0 DDAERO CO[C@@H]1CN(C(=O)c2cc(Cl)nc(Cl)c2)[C@](C)(C[NH3+])C1 ZINC000708974748 699251395 /nfs/dbraw/zinc/25/13/95/699251395.db2.gz XQEPEJHHNQPGEL-ZANVPECISA-N 1 0 318.204 1.967 10 0 DDAERO COCC1CC(NC(=O)[C@H]([NH3+])[C@H](C)OCc2ccccc2)C1 ZINC000713995346 699268891 /nfs/dbraw/zinc/26/88/91/699268891.db2.gz GWYMRKCBZGYCBH-HOJRLLLISA-N 1 0 306.406 1.460 10 0 DDAERO NC(=O)C1CC([NH2+]Cc2c(F)cccc2Br)C1 ZINC000716686004 699283713 /nfs/dbraw/zinc/28/37/13/699283713.db2.gz IIXANFVOOIXEKK-UHFFFAOYSA-N 1 0 301.159 1.942 10 0 DDAERO Cc1nnc(NCc2cc(O[C@@H]3CC[NH2+]C3)ccn2)nc1C ZINC000818629509 703947059 /nfs/dbraw/zinc/94/70/59/703947059.db2.gz XUORFZGSOKAWRW-CQSZACIVSA-N 1 0 300.366 1.236 10 0 DDAERO COc1nccnc1C[NH2+]C[C@@H]1CCCO[C@H]1c1nccn1C ZINC000858008753 704659663 /nfs/dbraw/zinc/65/96/63/704659663.db2.gz XWAJWTTVWGFSQB-GXTWGEPZSA-N 1 0 317.393 1.476 10 0 DDAERO [NH3+][C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccc3nccn3c2)C1 ZINC000886041258 708687171 /nfs/dbraw/zinc/68/71/71/708687171.db2.gz FEUFMGBVSASHOM-WDEREUQCSA-N 1 0 312.295 1.829 10 0 DDAERO CC(=O)NCc1cc(O[C@@H]2CC[N@H+](Cc3ccco3)C2)ccn1 ZINC000886044984 708688133 /nfs/dbraw/zinc/68/81/33/708688133.db2.gz SXWFYJVQELSDDT-QGZVFWFLSA-N 1 0 315.373 1.964 10 0 DDAERO CCN1C(=O)C[C@@H](C[NH2+]C2CCSCC2)[C@@H]1c1nccn1C ZINC000886060510 708690452 /nfs/dbraw/zinc/69/04/52/708690452.db2.gz CINBQXDOYAZQGA-SWLSCSKDSA-N 1 0 322.478 1.815 10 0 DDAERO CC[N@H+](CC(=O)N1C[C@H](OC)C[C@H]1c1nc(C)c(C)[nH]1)C1CC1 ZINC000888103026 709214173 /nfs/dbraw/zinc/21/41/73/709214173.db2.gz ADVRYFJOUFBWSU-CABCVRRESA-N 1 0 320.437 1.799 10 0 DDAERO CC[C@H]1CN(c2nc(Cl)nc3nc[nH]c32)CC[N@@H+]1C[C@@H](C)O ZINC000892356011 710423130 /nfs/dbraw/zinc/42/31/30/710423130.db2.gz ZLPGZZNOWXEQHV-ZJUUUORDSA-N 1 0 324.816 1.288 10 0 DDAERO CCC[NH2+][C@@H]1CCC2(C[C@H]1Sc1n[nH]c(C)n1)OCCO2 ZINC000081890510 192334509 /nfs/dbraw/zinc/33/45/09/192334509.db2.gz YTVMGBPAPFSYAT-VXGBXAGGSA-N 1 0 312.439 1.869 10 0 DDAERO CCC[NH2+][C@@H]1c2ccccc2C[C@H]1Sc1n[nH]c(=O)n1C ZINC000081880819 192334543 /nfs/dbraw/zinc/33/45/43/192334543.db2.gz SFPXMDHPGLBBRU-CHWSQXEVSA-N 1 0 304.419 1.866 10 0 DDAERO C[NH2+][C@@H](C)c1ccc(NC(=O)N[C@H](C)CS(C)(=O)=O)cc1 ZINC000081905952 192338129 /nfs/dbraw/zinc/33/81/29/192338129.db2.gz FAKPHIDIHREEOX-MNOVXSKESA-N 1 0 313.423 1.522 10 0 DDAERO CCC[NH2+][C@@H]1CCOC[C@H]1S(=O)(=O)c1ccc(OC)cc1 ZINC000081923255 192339900 /nfs/dbraw/zinc/33/99/00/192339900.db2.gz AGGSQVOPLVASGA-HUUCEWRRSA-N 1 0 313.419 1.626 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2nc3c(s2)CCCC3)CCO1 ZINC000116928606 282125036 /nfs/dbraw/zinc/12/50/36/282125036.db2.gz JCXDMRYVWKGXQR-LLVKDONJSA-N 1 0 324.450 1.816 10 0 DDAERO Cc1ccc(S(=O)(=O)NC[C@@H]2CC[NH2+]C2)c2cccnc12 ZINC000163321705 197623447 /nfs/dbraw/zinc/62/34/47/197623447.db2.gz OSNLVYOGIIQQNR-GFCCVEGCSA-N 1 0 305.403 1.431 10 0 DDAERO CC[C@@H]1CN(C(=O)/C=C/c2cccc(O)c2)CC[N@@H+]1C[C@H](C)O ZINC000249049300 282128978 /nfs/dbraw/zinc/12/89/78/282128978.db2.gz ACZSUQUSABMVFF-WIPWUNCGSA-N 1 0 318.417 1.709 10 0 DDAERO Cc1ncsc1/C=C/C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000249118457 282134254 /nfs/dbraw/zinc/13/42/54/282134254.db2.gz FZZMDVKBLRVKNZ-RVAOTSRCSA-N 1 0 309.435 1.378 10 0 DDAERO [NH3+][C@H]1CCOC[C@H]1S(=O)(=O)c1ccc(Br)cc1 ZINC000081933366 192341668 /nfs/dbraw/zinc/34/16/68/192341668.db2.gz CAUOZPVSTRKLPN-WDEREUQCSA-N 1 0 320.208 1.339 10 0 DDAERO CC(C)[C@@H](CC[NH3+])CCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000079255618 185162491 /nfs/dbraw/zinc/16/24/91/185162491.db2.gz VWECLDFIXYAZKL-CHWSQXEVSA-N 1 0 304.456 1.033 10 0 DDAERO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc2[nH][nH]c(=O)c2c1 ZINC000614726132 361994364 /nfs/dbraw/zinc/99/43/64/361994364.db2.gz XAWQZSWBAFYFIP-YPMHNXCESA-N 1 0 314.389 1.967 10 0 DDAERO CCC[NH2+][C@H](CSc1ccc(Br)cn1)C(N)=O ZINC000079447657 185171879 /nfs/dbraw/zinc/17/18/79/185171879.db2.gz ONWZXVWETGVOKH-SECBINFHSA-N 1 0 318.240 1.790 10 0 DDAERO C[NH2+][C@H]1CC[C@@H](c2ccccc2)C[C@@H]1S(=O)(=O)CCOC ZINC000081944903 192345372 /nfs/dbraw/zinc/34/53/72/192345372.db2.gz GPUIHRQLOYNYHO-PMPSAXMXSA-N 1 0 311.447 1.972 10 0 DDAERO COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CCC[N@H+](C)C1)CC2 ZINC000082316701 185175601 /nfs/dbraw/zinc/17/56/01/185175601.db2.gz GJOAACPVKPTUFX-CQSZACIVSA-N 1 0 318.417 1.930 10 0 DDAERO CC[NH2+][C@@H](CS(=O)(=O)CC(=O)OC)c1ccc(CC)cc1 ZINC000081976410 192347468 /nfs/dbraw/zinc/34/74/68/192347468.db2.gz PKJVYXGNECEPMT-AWEZNQCLSA-N 1 0 313.419 1.487 10 0 DDAERO C[C@@H]1CC[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)O1 ZINC000153564815 290648339 /nfs/dbraw/zinc/64/83/39/290648339.db2.gz ZHBCCJTWKLPGPB-CZUORRHYSA-N 1 0 306.406 1.850 10 0 DDAERO CC[C@@H]([NH3+])c1cccc(S(=O)(=O)NCCc2c[nH]cn2)c1 ZINC000087545702 185228022 /nfs/dbraw/zinc/22/80/22/185228022.db2.gz KENDREZSLMMNCQ-CQSZACIVSA-N 1 0 308.407 1.341 10 0 DDAERO C[C@H]([NH3+])CCC[C@H](C)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000087699357 185230774 /nfs/dbraw/zinc/23/07/74/185230774.db2.gz TWCNXGPQYPWEPK-RYUDHWBXSA-N 1 0 309.376 1.847 10 0 DDAERO OCC(CO)[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000087750526 185231605 /nfs/dbraw/zinc/23/16/05/185231605.db2.gz BMMBEHOWHTVDIC-LBPRGKRZSA-N 1 0 316.195 1.606 10 0 DDAERO O=C1C[NH2+]CCCN1Cc1cc(Br)ccc1F ZINC000087882184 185234425 /nfs/dbraw/zinc/23/44/25/185234425.db2.gz OXKKNHUOKLUESS-UHFFFAOYSA-N 1 0 301.159 1.910 10 0 DDAERO C[NH2+][C@H](CS(=O)(=O)CC(=O)OC)c1ccc(C(C)C)cc1 ZINC000081976714 192347876 /nfs/dbraw/zinc/34/78/76/192347876.db2.gz GEYDERFVQHKGFP-CQSZACIVSA-N 1 0 313.419 1.658 10 0 DDAERO CCc1noc(C)c1NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000155778957 539210117 /nfs/dbraw/zinc/21/01/17/539210117.db2.gz QEJFBGQEGWMEFL-LBPRGKRZSA-N 1 0 310.398 1.514 10 0 DDAERO C[C@@H](C[NH3+])S(=O)(=O)Cc1ccc(F)cc1Br ZINC000088068590 185238754 /nfs/dbraw/zinc/23/87/54/185238754.db2.gz VDSQVEJTUKTHHT-ZETCQYMHSA-N 1 0 310.188 1.850 10 0 DDAERO [NH3+][C@@H](Cc1ccc(F)cc1Br)[C@@H]1COCCO1 ZINC000087857251 185233527 /nfs/dbraw/zinc/23/35/27/185233527.db2.gz YAARUYVQTZDNRR-RYUDHWBXSA-N 1 0 304.159 1.873 10 0 DDAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)[C@@H]1COc2ccccc2O1 ZINC000087859465 185233809 /nfs/dbraw/zinc/23/38/09/185233809.db2.gz XHDJRAKJXIJEQF-WFASDCNBSA-N 1 0 313.419 1.629 10 0 DDAERO Cc1nn(-c2nc(NN)[nH+]cc2Br)c(C)c1Cl ZINC000087867566 185233919 /nfs/dbraw/zinc/23/39/19/185233919.db2.gz GJEDLELTTXINPX-UHFFFAOYSA-N 1 0 317.578 1.981 10 0 DDAERO CCC[NH2+][C@@H]1CCCCCC[C@H]1S(=O)(=O)CC(=O)OC ZINC000081975944 192347943 /nfs/dbraw/zinc/34/79/43/192347943.db2.gz FSONZUYCZUTISX-CHWSQXEVSA-N 1 0 305.440 1.665 10 0 DDAERO CCC[NH2+][C@H](CS(=O)(=O)CCC(=O)OC)c1ccccc1 ZINC000081974613 192348208 /nfs/dbraw/zinc/34/82/08/192348208.db2.gz FQFMGUPEBYTQGL-CQSZACIVSA-N 1 0 313.419 1.705 10 0 DDAERO CN(CCC(F)(F)F)C(=O)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000088420071 185249467 /nfs/dbraw/zinc/24/94/67/185249467.db2.gz FXMTYRMUPVLYAZ-GFCCVEGCSA-N 1 0 307.360 1.614 10 0 DDAERO Cc1c(Br)cccc1C(=O)N(C)[C@@H]1C[NH2+]C[C@H]1O ZINC000088441914 185250787 /nfs/dbraw/zinc/25/07/87/185250787.db2.gz ANGQLRXSHCTBPX-VXGBXAGGSA-N 1 0 313.195 1.162 10 0 DDAERO CC[C@@H](C)N(CCOC)S(=O)(=O)c1ccc(C[NH2+]C)o1 ZINC000088544336 185256769 /nfs/dbraw/zinc/25/67/69/185256769.db2.gz SHBHQMSLVVCKDR-LLVKDONJSA-N 1 0 304.412 1.435 10 0 DDAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCN(C)CC2)o1 ZINC000088543331 185256191 /nfs/dbraw/zinc/25/61/91/185256191.db2.gz BNUGFYQTJVHLIC-UHFFFAOYSA-N 1 0 315.439 1.104 10 0 DDAERO Cc1nnc2sc(C(=O)N3CCC[C@@H]([NH3+])C3)c(N)c2c1C ZINC000088641269 185260857 /nfs/dbraw/zinc/26/08/57/185260857.db2.gz XWBMKOVSSVADQB-SECBINFHSA-N 1 0 305.407 1.454 10 0 DDAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1sc2nccnc2c1N ZINC000088643236 185261344 /nfs/dbraw/zinc/26/13/44/185261344.db2.gz KZCPMZHWZIBXKQ-VIFPVBQESA-N 1 0 305.407 1.440 10 0 DDAERO CCOC(=O)[C@H]1C[NH2+]CCN1Cc1ccc(OC)c(Cl)c1 ZINC000088658205 185261744 /nfs/dbraw/zinc/26/17/44/185261744.db2.gz GLZPHVVJUBITSL-CYBMUJFWSA-N 1 0 312.797 1.686 10 0 DDAERO CCOC(=O)[C@@H]1C[NH2+]CCN1Cc1c(F)cccc1Cl ZINC000088658010 185261941 /nfs/dbraw/zinc/26/19/41/185261941.db2.gz LPRGGWJPZSKCQI-ZDUSSCGKSA-N 1 0 300.761 1.816 10 0 DDAERO CC[C@H]1CN(C(=O)NCc2cscn2)CC[N@@H+]1C[C@H](C)O ZINC000248459309 539271999 /nfs/dbraw/zinc/27/19/99/539271999.db2.gz RHEHKQNGMCSCCZ-AAEUAGOBSA-N 1 0 312.439 1.130 10 0 DDAERO CN1C(=O)C[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C1=O ZINC000088775676 185265347 /nfs/dbraw/zinc/26/53/47/185265347.db2.gz QYETVZUESDBDTJ-VXGBXAGGSA-N 1 0 323.190 1.783 10 0 DDAERO CC[NH2+][C@H]1c2ccccc2OC[C@H]1S(=O)(=O)CCCOC ZINC000081985982 192349309 /nfs/dbraw/zinc/34/93/09/192349309.db2.gz QFGXUHQSKKSMGR-CABCVRRESA-N 1 0 313.419 1.550 10 0 DDAERO Cc1cccc(C[S@](=O)[C@@H]2CC3(CC[C@@H]2[NH3+])OCCO3)c1 ZINC000081996701 192352318 /nfs/dbraw/zinc/35/23/18/192352318.db2.gz NYBJIKHTBNMNJQ-PDSXEYIOSA-N 1 0 309.431 1.867 10 0 DDAERO O=C(c1cc(Cl)c(Cl)[nH]1)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308652 185290190 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DDAERO CCCNC(=O)C1(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CCCCC1 ZINC000236819960 202024689 /nfs/dbraw/zinc/02/46/89/202024689.db2.gz PBFXCKJOXGVKCK-UONOGXRCSA-N 1 0 309.454 1.849 10 0 DDAERO CCc1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1OC ZINC000074935005 191389425 /nfs/dbraw/zinc/38/94/25/191389425.db2.gz WVJWNDKASMQACI-UHFFFAOYSA-N 1 0 300.424 1.488 10 0 DDAERO CCOC(=O)[C@H](N)CCSC[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000080746770 192187118 /nfs/dbraw/zinc/18/71/18/192187118.db2.gz URYYFTJLUXFBLC-CHWSQXEVSA-N 1 0 304.456 1.109 10 0 DDAERO CCC[C@@H](C)[NH2+]CCN1CCn2c(nnc2C(F)(F)F)C1 ZINC000081543550 192287602 /nfs/dbraw/zinc/28/76/02/192287602.db2.gz KFARKOGJDPYKNL-SNVBAGLBSA-N 1 0 305.348 1.891 10 0 DDAERO CCC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1 ZINC000236868161 202043116 /nfs/dbraw/zinc/04/31/16/202043116.db2.gz QZTNHJIULICCKD-UONOGXRCSA-N 1 0 309.410 1.205 10 0 DDAERO CC(C)C[C@H]1C[NH2+][C@@H](C2CC2)CN1CCCS(C)(=O)=O ZINC000085525706 192514540 /nfs/dbraw/zinc/51/45/40/192514540.db2.gz NTITVNNDFXQTDH-LSDHHAIUSA-N 1 0 302.484 1.520 10 0 DDAERO [NH3+]C[C@@H](SC[C@@H](O)CO)c1cccc(Br)c1 ZINC000086659476 192587862 /nfs/dbraw/zinc/58/78/62/192587862.db2.gz XZICQFRYADMGPJ-WDEREUQCSA-N 1 0 306.225 1.535 10 0 DDAERO C[C@@H](C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)N1CCOCC1 ZINC000177730990 198767177 /nfs/dbraw/zinc/76/71/77/198767177.db2.gz JYWPFBIGSNRHAX-RXSFTSLZSA-N 1 0 310.463 1.795 10 0 DDAERO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1C[C@@H](F)C[C@H]1CO ZINC000347432533 283213154 /nfs/dbraw/zinc/21/31/54/283213154.db2.gz GMDFBHKLYJKLIU-IRXDYDNUSA-N 1 0 320.408 1.830 10 0 DDAERO CNC(=O)CCOc1ccc(NC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000237126456 202160565 /nfs/dbraw/zinc/16/05/65/202160565.db2.gz XZRJGTCXQPSBDO-CQSZACIVSA-N 1 0 305.378 1.282 10 0 DDAERO CCOC(=O)CCc1ccc(OC[C@@H](O)C[NH2+]C(C)C)cc1 ZINC000005855435 181289714 /nfs/dbraw/zinc/28/97/14/181289714.db2.gz BQELVJOBZCACSW-HNNXBMFYSA-N 1 0 309.406 1.920 10 0 DDAERO CC[NH2+]CCn1nc(C)c(S(=O)(=O)N(C)C(C)C)c1C ZINC000088917243 192656206 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CN(CCS(C)(=O)=O)[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000094297855 193356749 /nfs/dbraw/zinc/35/67/49/193356749.db2.gz JVJYUJPTQSTUHJ-MRXNPFEDSA-N 1 0 306.431 1.816 10 0 DDAERO CC[C@@H]([NH3+])[C@H](c1cccc(F)c1)N(C)CCS(C)(=O)=O ZINC000094297248 193357106 /nfs/dbraw/zinc/35/71/06/193357106.db2.gz ICNXRAYJJJLIHX-KGLIPLIRSA-N 1 0 302.415 1.581 10 0 DDAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)s1)N(C)CCS(C)(=O)=O ZINC000094297521 193357150 /nfs/dbraw/zinc/35/71/50/193357150.db2.gz OGZYCHTURHCYDI-AAEUAGOBSA-N 1 0 304.481 1.811 10 0 DDAERO CC(C)C[NH2+]C[C@]1(CN(C)CCS(C)(=O)=O)CCCOC1 ZINC000094300241 193358124 /nfs/dbraw/zinc/35/81/24/193358124.db2.gz VDVXFELGTQCYFP-HNNXBMFYSA-N 1 0 320.499 1.005 10 0 DDAERO CN(CCS(C)(=O)=O)c1nc2c(s1)[C@@H]([NH3+])CC(C)(C)C2 ZINC000094301121 193358439 /nfs/dbraw/zinc/35/84/39/193358439.db2.gz MLRZOJYFPWWGPP-VIFPVBQESA-N 1 0 317.480 1.596 10 0 DDAERO CCC[NH2+][C@@H]1[C@H](S(=O)(=O)CC(=O)OCC)CCC1(C)C ZINC000094311369 193359001 /nfs/dbraw/zinc/35/90/01/193359001.db2.gz XLOLOKJTOUVUQD-DGCLKSJQSA-N 1 0 305.440 1.521 10 0 DDAERO C[C@H]1CN(c2nc(C(F)(F)F)ccc2C(N)=[NH2+])CCCO1 ZINC000094336744 193361401 /nfs/dbraw/zinc/36/14/01/193361401.db2.gz BHTMIKAWLYEIPA-QMMMGPOBSA-N 1 0 302.300 2.000 10 0 DDAERO NC(=O)c1ccc(C(F)(F)F)nc1O[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000094337759 193361406 /nfs/dbraw/zinc/36/14/06/193361406.db2.gz RFDUNBMCOJJVGC-HTQZYQBOSA-N 1 0 303.284 1.848 10 0 DDAERO Cc1c(F)cc(N)cc1S(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000094360529 193365765 /nfs/dbraw/zinc/36/57/65/193365765.db2.gz FCYLYBWTXDCCBI-LBPRGKRZSA-N 1 0 315.414 1.431 10 0 DDAERO [NH3+]C[C@]1(O[C@@H]2CCOC3(CCSCC3)C2)CCCOC1 ZINC000094362005 193365826 /nfs/dbraw/zinc/36/58/26/193365826.db2.gz ZSHWRYMGCOOHOC-UKRRQHHQSA-N 1 0 301.452 1.956 10 0 DDAERO CCC[NH2+]C1CCN([C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094633981 193385628 /nfs/dbraw/zinc/38/56/28/193385628.db2.gz AHDTVTAFEZKPOH-GJZGRUSLSA-N 1 0 302.484 1.806 10 0 DDAERO CC(C)[NH2+]Cc1ncnn1[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094644058 193389660 /nfs/dbraw/zinc/38/96/60/193389660.db2.gz YUQIKYGANYUZBS-RYUDHWBXSA-N 1 0 300.428 1.304 10 0 DDAERO CC[NH2+]C[C@@H]1CCCCN1[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094644265 193389961 /nfs/dbraw/zinc/38/99/61/193389961.db2.gz DKJZLYIYDFDUQD-ILXRZTDVSA-N 1 0 302.484 1.806 10 0 DDAERO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C[NH3+])CC(C)C)c1 ZINC000094697632 193391642 /nfs/dbraw/zinc/39/16/42/193391642.db2.gz TWYHQOCBSQEIER-LLVKDONJSA-N 1 0 313.423 1.154 10 0 DDAERO COCC[NH2+]C[C@@](C)(O)[C@H]1CCOC2(CCSCC2)C1 ZINC000094418988 193368620 /nfs/dbraw/zinc/36/86/20/193368620.db2.gz OKMNEOFRZDMMKE-UONOGXRCSA-N 1 0 303.468 1.666 10 0 DDAERO C[NH2+]CCn1nnnc1S[C@@H]1CCOC2(CCCCC2)C1 ZINC000094414386 193369158 /nfs/dbraw/zinc/36/91/58/193369158.db2.gz PYIXBJZXWBWWBC-GFCCVEGCSA-N 1 0 311.455 1.867 10 0 DDAERO CCN(CCC[NH2+][C@@H]1CSCCC1(C)C)S(C)(=O)=O ZINC000094483389 193372315 /nfs/dbraw/zinc/37/23/15/193372315.db2.gz WAWKVBXWPZYNMY-GFCCVEGCSA-N 1 0 308.513 1.779 10 0 DDAERO C[C@H]1SCCC[C@H]1[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000094478304 193372723 /nfs/dbraw/zinc/37/27/23/193372723.db2.gz DGRFJZVIXMEMOK-BXUZGUMPSA-N 1 0 314.476 1.750 10 0 DDAERO COC(=O)c1cc(NC(=O)[C@@H]2CC[C@@H](C[NH3+])O2)ccc1Cl ZINC000094565814 193380570 /nfs/dbraw/zinc/38/05/70/193380570.db2.gz BMXLGFZSAURZIF-CABZTGNLSA-N 1 0 312.753 1.571 10 0 DDAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)Cc1ccc(OC)nc1 ZINC000094632983 193385147 /nfs/dbraw/zinc/38/51/47/193385147.db2.gz XAYOEUQJBYTSLM-ZDUSSCGKSA-N 1 0 300.424 1.436 10 0 DDAERO CC(C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000012670957 181787095 /nfs/dbraw/zinc/78/70/95/181787095.db2.gz ULTISLNOASDNIN-QWRGUYRKSA-N 1 0 313.423 1.295 10 0 DDAERO CC[NH2+][C@H](CCOCC)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000097309600 193707050 /nfs/dbraw/zinc/70/70/50/193707050.db2.gz DVIUQSSTAKNNBI-ZIAGYGMSSA-N 1 0 306.472 1.453 10 0 DDAERO CC[NH+]1CCN(CCC(=O)Nc2ccc(Cl)c(N)c2)CC1 ZINC000020566312 182233005 /nfs/dbraw/zinc/23/30/05/182233005.db2.gz GILMBLYLSBHQTB-UHFFFAOYSA-N 1 0 310.829 1.888 10 0 DDAERO COc1cccc(C[NH2+]C[C@@H](C)O)c1OCC(=O)NC(C)(C)C ZINC000020872639 182250874 /nfs/dbraw/zinc/25/08/74/182250874.db2.gz PIPYHFLVDPBRSV-GFCCVEGCSA-N 1 0 324.421 1.459 10 0 DDAERO CSc1cccc(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1 ZINC000021060052 182263771 /nfs/dbraw/zinc/26/37/71/182263771.db2.gz CQJBCAHZTWGSCU-NSHDSACASA-N 1 0 302.421 1.109 10 0 DDAERO COc1ccc([C@H](C)N2CCN(C(=O)CC[NH3+])CC2)cc1OC ZINC000024867904 182393720 /nfs/dbraw/zinc/39/37/20/182393720.db2.gz XYQBYMGATCZDOV-ZDUSSCGKSA-N 1 0 321.421 1.258 10 0 DDAERO NC(=O)CC[C@H]([NH3+])c1cc2c(cc1Br)OCCO2 ZINC000037636764 182915326 /nfs/dbraw/zinc/91/53/26/182915326.db2.gz LAIWGLHJZPRISG-VIFPVBQESA-N 1 0 315.167 1.486 10 0 DDAERO Cc1nc(C[NH3+])cc(NCc2ccc3c(c2)n(C)c(=O)n3C)n1 ZINC000039543816 183020576 /nfs/dbraw/zinc/02/05/76/183020576.db2.gz NPTDLQPAGZANRW-UHFFFAOYSA-N 1 0 312.377 1.046 10 0 DDAERO CCN1CCC[C@H]([NH2+][C@@H]2CCS(=O)(=O)c3ccccc32)C1 ZINC000040502797 183084408 /nfs/dbraw/zinc/08/44/08/183084408.db2.gz FBUONDPUDGMFDX-DZGCQCFKSA-N 1 0 308.447 1.979 10 0 DDAERO Cc1cccc(Nc2nc[nH+]c(NN3CCN(C)CC3)c2N)n1 ZINC000040685456 183117907 /nfs/dbraw/zinc/11/79/07/183117907.db2.gz PUVNBVNUSITPCD-UHFFFAOYSA-N 1 0 314.397 1.080 10 0 DDAERO CC(C)N1C[C@H]2CCC[C@@H](C1)C2[NH2+]CCCS(C)(=O)=O ZINC000040784440 183133626 /nfs/dbraw/zinc/13/36/26/183133626.db2.gz JCKCTTQQOIXOTC-YIONKMFJSA-N 1 0 302.484 1.520 10 0 DDAERO COC(=O)c1c2c(sc1NC(=O)C1CC[NH2+]CC1)CCC2 ZINC000040858816 183143113 /nfs/dbraw/zinc/14/31/13/183143113.db2.gz BREMEOAYNCZJMY-UHFFFAOYSA-N 1 0 308.403 1.962 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)Nc2ccc(CCO)cc2)cc1 ZINC000040739072 183127160 /nfs/dbraw/zinc/12/71/60/183127160.db2.gz WXOPIFVAFZLUQE-UHFFFAOYSA-N 1 0 306.387 1.481 10 0 DDAERO COc1cc2c(NCC[NH+](C)C)ncnc2c(OC)c1OC ZINC000041470581 183193160 /nfs/dbraw/zinc/19/31/60/183193160.db2.gz CYSHADBCJCHVAI-UHFFFAOYSA-N 1 0 306.366 1.629 10 0 DDAERO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc2c(c1)CCN2 ZINC000041681977 183216721 /nfs/dbraw/zinc/21/67/21/183216721.db2.gz QVMVGUSHHRSCAN-LBPRGKRZSA-N 1 0 311.451 1.663 10 0 DDAERO COCCNC(=O)[C@@H](C)[NH2+]Cc1ccc(Br)cc1 ZINC000042240124 183245430 /nfs/dbraw/zinc/24/54/30/183245430.db2.gz QJQIVWMEQRKFTH-SNVBAGLBSA-N 1 0 315.211 1.690 10 0 DDAERO [NH3+]C[C@H](c1ccc(Br)cc1)N1CCS(=O)CC1 ZINC000042326065 183254454 /nfs/dbraw/zinc/25/44/54/183254454.db2.gz YAEJFNGOJOWCSK-GFCCVEGCSA-N 1 0 317.252 1.513 10 0 DDAERO [NH3+]Cc1cccc(Br)c1OCCN1CCOCC1 ZINC000042411474 183265087 /nfs/dbraw/zinc/26/50/87/183265087.db2.gz VPFDCUGZBZJLQO-UHFFFAOYSA-N 1 0 315.211 1.619 10 0 DDAERO C[NH2+]CCCN1C(=O)C(=O)c2cc(Br)c(F)cc21 ZINC000042410632 183265232 /nfs/dbraw/zinc/26/52/32/183265232.db2.gz WWRVZFFTSMGTHW-UHFFFAOYSA-N 1 0 315.142 1.727 10 0 DDAERO CS(=O)(=O)CCOc1c(Br)cccc1C[NH3+] ZINC000042411387 183265419 /nfs/dbraw/zinc/26/54/19/183265419.db2.gz WNRLOUWWGVPYSM-UHFFFAOYSA-N 1 0 308.197 1.331 10 0 DDAERO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCc2cn[nH]c2)cc1 ZINC000042356670 183257524 /nfs/dbraw/zinc/25/75/24/183257524.db2.gz KXEXZUVUTJCJTN-NSHDSACASA-N 1 0 308.407 1.559 10 0 DDAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2ccc(Br)cc2)C1 ZINC000042361422 183258226 /nfs/dbraw/zinc/25/82/26/183258226.db2.gz NRNOGYMGAPSSRL-VXGBXAGGSA-N 1 0 313.195 1.442 10 0 DDAERO CC[C@H](C)N(CCOC)S(=O)(=O)c1ccc(C[NH3+])s1 ZINC000042594170 183289848 /nfs/dbraw/zinc/28/98/48/183289848.db2.gz DUVDWQKATIIMRQ-JTQLQIEISA-N 1 0 306.453 1.642 10 0 DDAERO CNC(=O)CN(C)[C@@H](c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000042953069 183321443 /nfs/dbraw/zinc/32/14/43/183321443.db2.gz MLIFPLKHHNOVHT-TVQRCGJNSA-N 1 0 314.227 1.515 10 0 DDAERO C[C@H]([NH3+])[C@@H](c1cccc(F)c1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000042972082 183324290 /nfs/dbraw/zinc/32/42/90/183324290.db2.gz KLUAAQQXVSNYMJ-GDLCADMTSA-N 1 0 300.399 1.333 10 0 DDAERO C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N(CCO)CCO ZINC000043021074 183330012 /nfs/dbraw/zinc/33/00/12/183330012.db2.gz IGGJWPZPGMWHQC-ZWNOBZJWSA-N 1 0 317.227 1.124 10 0 DDAERO CC[NH2+][C@@H](c1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000043300925 183351993 /nfs/dbraw/zinc/35/19/93/183351993.db2.gz PVPVEVGDPILJAF-IAQYHMDHSA-N 1 0 313.419 1.789 10 0 DDAERO NC(=[NH2+])c1cc2c(nc1Sc1nnnn1C1CC1)CCC2 ZINC000043407258 183359078 /nfs/dbraw/zinc/35/90/78/183359078.db2.gz IJXJXFKCYUWLGB-UHFFFAOYSA-N 1 0 301.379 1.327 10 0 DDAERO O=C(CC[C@H]1CCC[NH2+]C1)N1CCN(c2nccs2)CC1 ZINC000043588007 183373923 /nfs/dbraw/zinc/37/39/23/183373923.db2.gz NUOKOYWJQUKBMV-CYBMUJFWSA-N 1 0 308.451 1.572 10 0 DDAERO NC(=O)c1ccsc1NC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000043595800 183374661 /nfs/dbraw/zinc/37/46/61/183374661.db2.gz WFVQQQJXDRNFLG-GFCCVEGCSA-N 1 0 301.371 1.673 10 0 DDAERO CCC[NH2+][C@@H]1CCC2(C[C@@H]1N(CC)CCOC)OCCO2 ZINC000043968791 183391360 /nfs/dbraw/zinc/39/13/60/183391360.db2.gz ISYSBSMUXIZMFT-CABCVRRESA-N 1 0 300.443 1.619 10 0 DDAERO CCC(CC)[N@H+](CCOC)[C@@H]1CC2(CC[C@@H]1O)OCCO2 ZINC000044177912 183397342 /nfs/dbraw/zinc/39/73/42/183397342.db2.gz FCPQAHIAIIMQOT-CABCVRRESA-N 1 0 301.427 1.780 10 0 DDAERO CC[NH2+][C@@](C)(CCC[N@H+](CCN(C)C)CC(C)C)C(=O)[O-] ZINC000045420907 183505356 /nfs/dbraw/zinc/50/53/56/183505356.db2.gz DTNKNMDYIDMWED-INIZCTEOSA-N 1 0 301.475 1.739 10 0 DDAERO COc1ccccc1OCC(=O)N(C)C[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000284500249 218054091 /nfs/dbraw/zinc/05/40/91/218054091.db2.gz CODBNQCCSSVVNE-KBPBESRZSA-N 1 0 322.405 1.252 10 0 DDAERO COc1cccc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000105211546 194085684 /nfs/dbraw/zinc/08/56/84/194085684.db2.gz PHLUXPCNSJVHEQ-CQSZACIVSA-N 1 0 304.394 1.470 10 0 DDAERO Cc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)CC2)nn1 ZINC000105801158 194131393 /nfs/dbraw/zinc/13/13/93/194131393.db2.gz QHODMWOZZBXRLO-AWEZNQCLSA-N 1 0 319.453 1.600 10 0 DDAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)NC(C)(C)CC)CC2 ZINC000105873277 194153695 /nfs/dbraw/zinc/15/36/95/194153695.db2.gz UILMGURWBAOVRF-NWDGAFQWSA-N 1 0 307.442 1.438 10 0 DDAERO O[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105883980 194156568 /nfs/dbraw/zinc/15/65/68/194156568.db2.gz IRVWTVDSBYHPOW-IRXDYDNUSA-N 1 0 300.406 1.594 10 0 DDAERO COc1ccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1O ZINC000105905159 194167176 /nfs/dbraw/zinc/16/71/76/194167176.db2.gz AETJDBHTTBPRAD-CQSZACIVSA-N 1 0 314.389 1.949 10 0 DDAERO CC(C)(C)OC[C@@H](O)C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105910062 194167402 /nfs/dbraw/zinc/16/74/02/194167402.db2.gz NVBCOZQEQLSTDA-AWEZNQCLSA-N 1 0 308.426 1.529 10 0 DDAERO CC[C@@H]1CN(Cc2cn3cc(C)ccc3n2)CC[N@@H+]1C[C@@H](C)O ZINC000105912692 194168208 /nfs/dbraw/zinc/16/82/08/194168208.db2.gz JYGBOGWCOXACFN-NVXWUHKLSA-N 1 0 316.449 1.920 10 0 DDAERO Cc1cccc(NC(=O)[C@@H](C)N2CCO[C@H](C[NH+](C)C)C2)c1C ZINC000105924911 194171840 /nfs/dbraw/zinc/17/18/40/194171840.db2.gz LWKGSNWLSKPWFL-HZPDHXFCSA-N 1 0 319.449 1.893 10 0 DDAERO CSc1cccc(NC(=O)[C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)c1 ZINC000105932835 194173488 /nfs/dbraw/zinc/17/34/88/194173488.db2.gz AMZDYPKNWWEVQW-OCCSQVGLSA-N 1 0 323.462 1.656 10 0 DDAERO CN(C[C@@H]1CCCCO1)S(=O)(=O)CCC1CC[NH2+]CC1 ZINC000048950396 183698590 /nfs/dbraw/zinc/69/85/90/183698590.db2.gz IQBKOYNCTNWFDD-AWEZNQCLSA-N 1 0 304.456 1.207 10 0 DDAERO CCN(c1ccc(C)cc1)S(=O)(=O)CCN1CC[NH2+]CC1 ZINC000049991239 183767060 /nfs/dbraw/zinc/76/70/60/183767060.db2.gz NAGAGOYOXGXKOS-UHFFFAOYSA-N 1 0 311.451 1.056 10 0 DDAERO CC(C)N(c1ccc(C[NH3+])cc1)S(=O)(=O)c1cnn(C)c1 ZINC000050252196 183779549 /nfs/dbraw/zinc/77/95/49/183779549.db2.gz PFCMZAFPJIQATL-UHFFFAOYSA-N 1 0 308.407 1.483 10 0 DDAERO C[C@H](C(N)=S)[NH+]1CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000109466529 194266493 /nfs/dbraw/zinc/26/64/93/194266493.db2.gz PIGGIERTMZWVLH-SNVBAGLBSA-N 1 0 310.398 1.650 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN(C(=O)c2cccnc2)CC1 ZINC000109463380 194265485 /nfs/dbraw/zinc/26/54/85/194265485.db2.gz PHJFXMGWNWMSKN-CYBMUJFWSA-N 1 0 306.435 1.294 10 0 DDAERO CC(C)(C(N)=S)[NH+]1CCN(c2ncnc3c2CCC3)CC1 ZINC000109471830 194266406 /nfs/dbraw/zinc/26/64/06/194266406.db2.gz HQGNJTIMCGSGTE-UHFFFAOYSA-N 1 0 305.451 1.152 10 0 DDAERO CCC[C@@H](C(N)=S)[NH+]1CCN(c2nc(C)cc(C)n2)CC1 ZINC000109471664 194267594 /nfs/dbraw/zinc/26/75/94/194267594.db2.gz MZIFQYJAVKTMJQ-ZDUSSCGKSA-N 1 0 307.467 1.670 10 0 DDAERO CC(C)[NH2+]CC1(CN2CCS(=O)(=O)CC2)CCCCC1 ZINC000051217977 183820265 /nfs/dbraw/zinc/82/02/65/183820265.db2.gz NVBJLQGYXCWXLD-UHFFFAOYSA-N 1 0 302.484 1.665 10 0 DDAERO CCC[NH2+][C@H](C)[C@H](c1nc(CS(C)(=O)=O)no1)C(C)C ZINC000109512724 194270206 /nfs/dbraw/zinc/27/02/06/194270206.db2.gz LSGXVCIPMZUGKB-ZYHUDNBSSA-N 1 0 303.428 1.742 10 0 DDAERO Cc1sc2ncn(CC[NH2+]C[C@@H]3CCOC3)c(=O)c2c1C ZINC000053530352 183905735 /nfs/dbraw/zinc/90/57/35/183905735.db2.gz MZLATVLMWNEBKW-LBPRGKRZSA-N 1 0 307.419 1.701 10 0 DDAERO C[C@@H](C[NH2+]C[C@H]1CCCO1)Oc1cccc(S(C)(=O)=O)c1 ZINC000053589290 183907455 /nfs/dbraw/zinc/90/74/55/183907455.db2.gz FRBFFBJOAMMGSI-GXTWGEPZSA-N 1 0 313.419 1.626 10 0 DDAERO O=C1NCCCC[C@H]1[NH2+]Cc1ccc(O)c(Br)c1 ZINC000058062523 184072719 /nfs/dbraw/zinc/07/27/19/184072719.db2.gz IBNVOGAITBHREH-LLVKDONJSA-N 1 0 313.195 1.913 10 0 DDAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(NS(=O)(=O)CC)cc1 ZINC000061271648 184167052 /nfs/dbraw/zinc/16/70/52/184167052.db2.gz APQLATZCHXLNER-LLVKDONJSA-N 1 0 313.423 1.775 10 0 DDAERO CC[NH2+]C(C)(C)C(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000061291572 184167631 /nfs/dbraw/zinc/16/76/31/184167631.db2.gz SHVGVGBYBCAHDL-UHFFFAOYSA-N 1 0 308.773 1.642 10 0 DDAERO CCn1c(S[C@H](c2ccccc2OC)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594401 184175999 /nfs/dbraw/zinc/17/59/99/184175999.db2.gz BIYXSGYDRCYXLT-CABZTGNLSA-N 1 0 308.407 1.781 10 0 DDAERO C[NH+]1CCC(CNC(=O)[C@H](C(N)=S)c2ccccc2)CC1 ZINC000061616657 184178612 /nfs/dbraw/zinc/17/86/12/184178612.db2.gz DRLAYEITSFGCMG-AWEZNQCLSA-N 1 0 305.447 1.514 10 0 DDAERO COC[C@@H](C)NC(=O)C[NH2+]Cc1ccccc1C(F)(F)F ZINC000061626590 184179035 /nfs/dbraw/zinc/17/90/35/184179035.db2.gz SSXZYZCKWSHCKT-SNVBAGLBSA-N 1 0 304.312 1.946 10 0 DDAERO CCC[C@@H]([NH2+]CC)[C@H](CC)N1CCN(S(C)(=O)=O)CC1 ZINC000062083817 184205189 /nfs/dbraw/zinc/20/51/89/184205189.db2.gz AWCFUEAHQFMFMW-KGLIPLIRSA-N 1 0 305.488 1.120 10 0 DDAERO C[NH2+][C@H]1CC(C)(C)Cc2nc(N3CCNC(=O)CC3)sc21 ZINC000062101901 184206169 /nfs/dbraw/zinc/20/61/69/184206169.db2.gz UTMDLVMNLUEZHK-JTQLQIEISA-N 1 0 308.451 1.702 10 0 DDAERO O=C(Nc1ccccc1I)[C@@H]1CC[NH2+]C1 ZINC000062112633 184206339 /nfs/dbraw/zinc/20/63/39/184206339.db2.gz SIIDVGWDIQXWDC-MRVPVSSYSA-N 1 0 316.142 1.839 10 0 DDAERO C[C@@H]([NH3+])Cc1ccc(O[C@H](C)C(N)=O)c(Br)c1 ZINC000062704402 184248942 /nfs/dbraw/zinc/24/89/42/184248942.db2.gz BDBBTGLONVWGAZ-HTQZYQBOSA-N 1 0 301.184 1.591 10 0 DDAERO CCCNC(=O)COc1ccc(C[NH2+]CCOC)cc1Cl ZINC000062730476 184251079 /nfs/dbraw/zinc/25/10/79/184251079.db2.gz PYAQBDIYXJHMOX-UHFFFAOYSA-N 1 0 314.813 1.981 10 0 DDAERO CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C[NH2+]CCOC ZINC000062731022 184251258 /nfs/dbraw/zinc/25/12/58/184251258.db2.gz NIDKWYQUQFROAZ-SNVBAGLBSA-N 1 0 300.786 1.589 10 0 DDAERO COCC[NH2+]Cc1c(N(CCO)C2CC2)nc2sccn12 ZINC000062737628 184251821 /nfs/dbraw/zinc/25/18/21/184251821.db2.gz IHAJKQIIYUAJSF-UHFFFAOYSA-N 1 0 310.423 1.093 10 0 DDAERO CCC[NH2+][C@@H]1COc2cc(O[C@H]3CCS(=O)(=O)C3)ccc21 ZINC000062804983 184253494 /nfs/dbraw/zinc/25/34/94/184253494.db2.gz MWVCQWVVMCXHFI-GXTWGEPZSA-N 1 0 311.403 1.686 10 0 DDAERO CC[C@]1(C(=O)Nc2cc(S(C)(=O)=O)ccc2C)CC[NH2+]C1 ZINC000062892220 184258403 /nfs/dbraw/zinc/25/84/03/184258403.db2.gz YZHJYZNXISQRRO-HNNXBMFYSA-N 1 0 310.419 1.727 10 0 DDAERO CC[C@H](Oc1ccc(CC[NH3+])cc1Br)C(N)=O ZINC000062703711 184248096 /nfs/dbraw/zinc/24/80/96/184248096.db2.gz CYSAWCQXACGEPS-JTQLQIEISA-N 1 0 301.184 1.593 10 0 DDAERO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccc(N)cc2Cl)C1 ZINC000062965220 184263172 /nfs/dbraw/zinc/26/31/72/184263172.db2.gz GIZAPOIHNKRYRW-JTQLQIEISA-N 1 0 303.815 1.247 10 0 DDAERO CC[NH2+]Cc1ccc(OCCCS(C)(=O)=O)c(OC)c1 ZINC000063014333 184266343 /nfs/dbraw/zinc/26/63/43/184266343.db2.gz RTVYPHFVBNAFIG-UHFFFAOYSA-N 1 0 301.408 1.618 10 0 DDAERO CCN(Cc1nc2c(cnn2C)c(NN)[nH+]1)CC(F)(F)F ZINC000063084072 184269613 /nfs/dbraw/zinc/26/96/13/184269613.db2.gz WYWMDCKKHOTYBM-UHFFFAOYSA-N 1 0 303.292 1.033 10 0 DDAERO CC(C)[NH2+]C[C@H]1CCCN(S(=O)(=O)C2CCOCC2)C1 ZINC000063138559 184273200 /nfs/dbraw/zinc/27/32/00/184273200.db2.gz DQVPHSMCYWYAIS-CYBMUJFWSA-N 1 0 304.456 1.205 10 0 DDAERO CCOc1c(CN2CCN(CCC[NH3+])CC2)cccc1OC ZINC000066143202 184392907 /nfs/dbraw/zinc/39/29/07/184392907.db2.gz QUDYCLKPENIZPI-UHFFFAOYSA-N 1 0 307.438 1.560 10 0 DDAERO CCC[NH2+]C[C@@H]1CCCN(S(=O)(=O)N2CCCC[C@@H]2C)C1 ZINC000113668127 194608102 /nfs/dbraw/zinc/60/81/02/194608102.db2.gz KFLIKYCTXQECNV-GJZGRUSLSA-N 1 0 317.499 1.817 10 0 DDAERO CCc1cc(=O)[nH]c(CN2CC[N@H+](C[C@@H](C)O)[C@H](CC)C2)n1 ZINC000120022055 195081546 /nfs/dbraw/zinc/08/15/46/195081546.db2.gz BNYSDELVSNIMAZ-TZMCWYRMSA-N 1 0 308.426 1.022 10 0 DDAERO O=C1NC2(CCCC2)C(=O)N1CCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000248337113 296362632 /nfs/dbraw/zinc/36/26/32/296362632.db2.gz HHCYGRLGWNQDPA-CQSZACIVSA-N 1 0 320.437 1.021 10 0 DDAERO COC(=O)Cn1cc(CC[N@@H+]2CCC[C@@H]2c2ccco2)nn1 ZINC000120188967 195115334 /nfs/dbraw/zinc/11/53/34/195115334.db2.gz XYLASNBGOQTWIA-CYBMUJFWSA-N 1 0 304.350 1.424 10 0 DDAERO O=C(Nc1ccc(-n2cccn2)c(Cl)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000155427877 197054489 /nfs/dbraw/zinc/05/44/89/197054489.db2.gz WNOXYYBTDHQEOE-JQWIXIFHSA-N 1 0 306.753 1.187 10 0 DDAERO CC[NH+](CC)C[C@@H]1OC[C@H]2CCN(C(=O)c3ccccn3)C[C@@H]12 ZINC000248262243 257107243 /nfs/dbraw/zinc/10/72/43/257107243.db2.gz RCCXOOYNTIMQEB-INMHGKMJSA-N 1 0 317.433 1.901 10 0 DDAERO CO[C@@H]1CCN(C(=O)c2ncccn2)[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC000247812095 257118031 /nfs/dbraw/zinc/11/80/31/257118031.db2.gz DEOLICKWKAOGBY-QLFBSQMISA-N 1 0 316.405 1.048 10 0 DDAERO O=C(NCC1CC1)[C@]12CCO[C@H]1CC[N@H+](Cc1ccncc1)C2 ZINC000247471665 257119512 /nfs/dbraw/zinc/11/95/12/257119512.db2.gz FOXBTRWDGZTCRT-WMZOPIPTSA-N 1 0 315.417 1.589 10 0 DDAERO O=S(=O)(NCC[C@H]1CCOC12C[NH+](C1CCC1)C2)C1CC1 ZINC000247329299 257120135 /nfs/dbraw/zinc/12/01/35/257120135.db2.gz OHBJPNLMGHUSGP-LBPRGKRZSA-N 1 0 314.451 1.102 10 0 DDAERO Fc1ccc(CN2C[C@H]3OCCN(c4ncccn4)[C@@H]3C2)cc1 ZINC000503715891 257209269 /nfs/dbraw/zinc/20/92/69/257209269.db2.gz BQRQMQNMRGIYJV-HZPDHXFCSA-N 1 0 314.364 1.705 10 0 DDAERO O[C@H](C[N@@H+]1CCCN(c2cccnn2)CC1)c1ccc(F)cc1 ZINC000246306479 285350105 /nfs/dbraw/zinc/35/01/05/285350105.db2.gz AAODRMFTJNHMDJ-MRXNPFEDSA-N 1 0 316.380 1.861 10 0 DDAERO O=S(=O)(c1ccccc1N1CC[C@@H]2[NH2+]CC[C@H]2C1)C(F)F ZINC000261617234 296472272 /nfs/dbraw/zinc/47/22/72/296472272.db2.gz FWALTYYQZHNCOX-QWRGUYRKSA-N 1 0 316.373 1.871 10 0 DDAERO C[C@H]1CCCN(c2ccc(S(N)(=O)=O)cc2F)[C@@H]1C[NH3+] ZINC000071391273 134422283 /nfs/dbraw/zinc/42/22/83/134422283.db2.gz GBDVXNGGDCKSIU-TVQRCGJNSA-N 1 0 301.387 1.037 10 0 DDAERO CC[NH2+]Cc1ccnc(N2CCN(CC(F)(F)F)CC2)c1 ZINC000061948127 134804575 /nfs/dbraw/zinc/80/45/75/134804575.db2.gz DJNFQQPORMNZDQ-UHFFFAOYSA-N 1 0 302.344 1.875 10 0 DDAERO [NH3+][C@@H]1CC[C@@H]2CN(CC(=O)NCc3ccc(Cl)cc3)C[C@@H]12 ZINC000261639688 407563377 /nfs/dbraw/zinc/56/33/77/407563377.db2.gz IMWZWQWUTAPBHE-BPLDGKMQSA-N 1 0 307.825 1.625 10 0 DDAERO COCc1cccc(CNC(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000170958615 407564471 /nfs/dbraw/zinc/56/44/71/407564471.db2.gz CSFWFXQBGCSODA-QGZVFWFLSA-N 1 0 317.433 1.229 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC000186075744 407568144 /nfs/dbraw/zinc/56/81/44/407568144.db2.gz BVJDNCABNJCDGU-DOMZBBRYSA-N 1 0 313.405 1.930 10 0 DDAERO [NH3+][C@H]1CCN(c2ncccc2-c2nc(-c3ccccn3)no2)C1 ZINC000070458023 406816918 /nfs/dbraw/zinc/81/69/18/406816918.db2.gz RNOPGVYRPVSILJ-NSHDSACASA-N 1 0 308.345 1.731 10 0 DDAERO COCc1cc(N2CCC(C[NH3+])CC2)nc(-c2cnccn2)n1 ZINC000070456147 406817161 /nfs/dbraw/zinc/81/71/61/406817161.db2.gz PMSIKYULCPGDGW-UHFFFAOYSA-N 1 0 314.393 1.255 10 0 DDAERO COCCN1CC[N@@H+]([C@H](C)Cc2ccc(F)cc2)CCC1=O ZINC000014992303 406878728 /nfs/dbraw/zinc/87/87/28/406878728.db2.gz AWLUQCSWUWKGIK-CQSZACIVSA-N 1 0 308.397 1.937 10 0 DDAERO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000076099136 406954950 /nfs/dbraw/zinc/95/49/50/406954950.db2.gz HUVHGTCULBPCIN-SWLSCSKDSA-N 1 0 303.406 1.992 10 0 DDAERO CC1CCN(C(=O)C[NH+]2CCC(Cn3cccn3)CC2)CC1 ZINC000090473183 407168349 /nfs/dbraw/zinc/16/83/49/407168349.db2.gz GSYXBCWYKNPJRW-UHFFFAOYSA-N 1 0 304.438 1.854 10 0 DDAERO CS(=O)(=O)c1ccc(CN2CCC3(CC[NH2+]CC3)C2=O)cc1 ZINC000095937478 407215058 /nfs/dbraw/zinc/21/50/58/407215058.db2.gz BWAZQDWVHOTIJV-UHFFFAOYSA-N 1 0 322.430 1.192 10 0 DDAERO C[C@H](C[NH+]1CCC2(CC1)NC(N(C)C)=NC2=O)c1ccccc1 ZINC000063847420 407236363 /nfs/dbraw/zinc/23/63/63/407236363.db2.gz BYGDAKUAXTWGSY-CQSZACIVSA-N 1 0 314.433 1.672 10 0 DDAERO CCCC(=O)N[C@H]1CCC[N@H+](C[C@H](O)COCc2ccco2)C1 ZINC000101733451 407315812 /nfs/dbraw/zinc/31/58/12/407315812.db2.gz MGZQZZFRDUZZAP-GJZGRUSLSA-N 1 0 324.421 1.538 10 0 DDAERO C[NH+](C)Cc1ccc(N2CCN(C(=O)C3(C)CC3)CC2)nc1 ZINC000123394229 407328046 /nfs/dbraw/zinc/32/80/46/407328046.db2.gz FRWINOPSPQOZGM-UHFFFAOYSA-N 1 0 302.422 1.592 10 0 DDAERO COc1cc(OC)nc(-c2cc(C)cc3c2O[C@@H](C[NH3+])C3)n1 ZINC000067739599 407282514 /nfs/dbraw/zinc/28/25/14/407282514.db2.gz IQYQNRCEUXPLNU-LLVKDONJSA-N 1 0 301.346 1.731 10 0 DDAERO CCC[N@@H+]1CCO[C@H](CCNC(=O)c2cc3ccccn3n2)C1 ZINC000067756159 407283620 /nfs/dbraw/zinc/28/36/20/407283620.db2.gz HNOQWWDAHXLNGT-OAHLLOKOSA-N 1 0 316.405 1.565 10 0 DDAERO CC1(C)[C@H](Cc2cc(CCO)on2)C[C@@H]1[NH2+]Cc1ncc[nH]1 ZINC000067889766 407288857 /nfs/dbraw/zinc/28/88/57/407288857.db2.gz DPHQPLVGJJGKRG-RISCZKNCSA-N 1 0 304.394 1.680 10 0 DDAERO C[C@@H]1CC[C@@H](C(=O)NCc2ccnc(OCC[NH+](C)C)c2)O1 ZINC000124146441 407349275 /nfs/dbraw/zinc/34/92/75/407349275.db2.gz CSKBKVPDBFTPIN-OCCSQVGLSA-N 1 0 307.394 1.206 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000113228887 407478272 /nfs/dbraw/zinc/47/82/72/407478272.db2.gz SDZBYCIEZGWECJ-FVQBIDKESA-N 1 0 319.449 1.330 10 0 DDAERO COc1ccccc1NCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113231144 407478297 /nfs/dbraw/zinc/47/82/97/407478297.db2.gz WAKJTDZJXZUZRK-UONOGXRCSA-N 1 0 303.406 1.802 10 0 DDAERO COc1ccccc1S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113305806 407492570 /nfs/dbraw/zinc/49/25/70/407492570.db2.gz BYPRHHZAXFJOBU-CHWSQXEVSA-N 1 0 310.419 1.552 10 0 DDAERO CC(C)(C)OC[C@@H](O)C[NH2+][C@@H](CC(N)=O)C1CCCCC1 ZINC000181983194 306701426 /nfs/dbraw/zinc/70/14/26/306701426.db2.gz RZZIAHFCYYNDGW-KBPBESRZSA-N 1 0 300.443 1.576 10 0 DDAERO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH3+])S(=O)(=O)C1CCCCC1 ZINC000178642905 407526137 /nfs/dbraw/zinc/52/61/37/407526137.db2.gz SKOSZWXPPVGAFI-TZMCWYRMSA-N 1 0 318.483 1.612 10 0 DDAERO Cc1nc(N[C@@H](C[NH3+])C2CCCC2)sc1S(N)(=O)=O ZINC000261565331 407543830 /nfs/dbraw/zinc/54/38/30/407543830.db2.gz FICZUHDGKVUEPR-VIFPVBQESA-N 1 0 304.441 1.028 10 0 DDAERO CC(C)C(=O)Nc1ccc(CNC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261762185 407603262 /nfs/dbraw/zinc/60/32/62/407603262.db2.gz QAFMBVFCVKYZRZ-UHFFFAOYSA-N 1 0 319.405 1.405 10 0 DDAERO COC(=O)c1sccc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178824759 407615336 /nfs/dbraw/zinc/61/53/36/407615336.db2.gz LEWVTZGWLSYHRE-SNVBAGLBSA-N 1 0 309.391 1.847 10 0 DDAERO O[C@@H](COCc1ccccc1)C[NH+]1CCC(C2OCCO2)CC1 ZINC000171297131 407653328 /nfs/dbraw/zinc/65/33/28/407653328.db2.gz WDPGSLQZHGUFNW-QGZVFWFLSA-N 1 0 321.417 1.649 10 0 DDAERO [NH3+]C1(C(=O)N2CCO[C@H](c3ccccc3F)C2)CCOCC1 ZINC000261921271 407672889 /nfs/dbraw/zinc/67/28/89/407672889.db2.gz VBTABUWIMSAHOO-AWEZNQCLSA-N 1 0 308.353 1.234 10 0 DDAERO [NH3+]C1(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)CCOCC1 ZINC000261929971 407678428 /nfs/dbraw/zinc/67/84/28/407678428.db2.gz WDCLNVCLTNBSCZ-UHFFFAOYSA-N 1 0 318.377 1.417 10 0 DDAERO COc1ccccc1C1(CNC(=O)C2([NH3+])CCOCC2)CC1 ZINC000261939447 407682803 /nfs/dbraw/zinc/68/28/03/407682803.db2.gz XFHVTDVPLYEXBE-UHFFFAOYSA-N 1 0 304.390 1.351 10 0 DDAERO c1c(CN[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)nc2ccccn12 ZINC000261953353 407687311 /nfs/dbraw/zinc/68/73/11/407687311.db2.gz OQGNYXRRXOYQBR-ARFHVFGLSA-N 1 0 300.406 1.581 10 0 DDAERO CC(C)(C)c1ccnc(N2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000261989040 407703563 /nfs/dbraw/zinc/70/35/63/407703563.db2.gz BFIBHWOADLUQSI-GFCCVEGCSA-N 1 0 305.426 1.065 10 0 DDAERO Cc1nn(C)c(OCC(F)(F)F)c1CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000262034557 407719306 /nfs/dbraw/zinc/71/93/06/407719306.db2.gz OLFHMWYWMAYMRL-GZMMTYOYSA-N 1 0 306.332 1.449 10 0 DDAERO [NH3+]CC1(c2ccc(I)cc2)OCCO1 ZINC000236173525 407727720 /nfs/dbraw/zinc/72/77/20/407727720.db2.gz CKCYWMJFONKHCQ-UHFFFAOYSA-N 1 0 305.115 1.450 10 0 DDAERO CNC(=O)[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC000179125543 407727906 /nfs/dbraw/zinc/72/79/06/407727906.db2.gz SGPYRRWMKWXUBI-UKRRQHHQSA-N 1 0 309.454 1.528 10 0 DDAERO O=C(CCN1CC[N@@H+]2CCC[C@@H]2C1)N1CCc2sccc2C1 ZINC000171638328 407728931 /nfs/dbraw/zinc/72/89/31/407728931.db2.gz FEMIOUVPHUJLJE-OAHLLOKOSA-N 1 0 319.474 1.803 10 0 DDAERO Cc1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116407960 407754463 /nfs/dbraw/zinc/75/44/63/407754463.db2.gz ICWDEGFZFLJMEL-RDJZCZTQSA-N 1 0 315.417 1.958 10 0 DDAERO CCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000262075679 407732818 /nfs/dbraw/zinc/73/28/18/407732818.db2.gz GPFHEVQMCMJRLC-HZSPNIEDSA-N 1 0 304.390 1.802 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000262168706 407756705 /nfs/dbraw/zinc/75/67/05/407756705.db2.gz ANYKVZDFMVTMHV-IINYFYTJSA-N 1 0 310.369 1.765 10 0 DDAERO CC(=O)Nc1ccc(C)c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000186682962 407740612 /nfs/dbraw/zinc/74/06/12/407740612.db2.gz ANUYXRSZBPWDLG-HNNXBMFYSA-N 1 0 301.390 1.874 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000262203461 407762502 /nfs/dbraw/zinc/76/25/02/407762502.db2.gz NHTDHNOMROIAMF-STQMWFEESA-N 1 0 308.378 1.547 10 0 DDAERO COC[C@H]([NH3+])C(=O)NCCc1nc(C2CCCCC2)cs1 ZINC000262244257 407772538 /nfs/dbraw/zinc/77/25/38/407772538.db2.gz IBCMFOBYDHNDJS-LBPRGKRZSA-N 1 0 311.451 1.823 10 0 DDAERO COc1ccc(SCC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000116784425 407776293 /nfs/dbraw/zinc/77/62/93/407776293.db2.gz KBQWIWMFOOANKZ-CQSZACIVSA-N 1 0 324.446 1.576 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)CSCc2ccccn2)CCO1 ZINC000116789291 407776717 /nfs/dbraw/zinc/77/67/17/407776717.db2.gz QMWCBZLPZMHZLV-AWEZNQCLSA-N 1 0 309.435 1.104 10 0 DDAERO COC[C@H]([NH3+])C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000262220239 407768792 /nfs/dbraw/zinc/76/87/92/407768792.db2.gz FPVZABPAFUDDHF-VIFPVBQESA-N 1 0 308.712 1.531 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)Cc2c(F)cccc2Cl)CCO1 ZINC000116786504 407777792 /nfs/dbraw/zinc/77/77/92/407777792.db2.gz AZZYJYWHJXFBDY-NSHDSACASA-N 1 0 314.788 1.811 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(-n3cccn3)c2)CCO1 ZINC000116795035 407778734 /nfs/dbraw/zinc/77/87/34/407778734.db2.gz PHLHNVQSRIZPDQ-MRXNPFEDSA-N 1 0 314.389 1.275 10 0 DDAERO COC[C@@H]([NH3+])C(=O)NCc1cc(F)cc(Br)c1 ZINC000262315867 407797194 /nfs/dbraw/zinc/79/71/94/407797194.db2.gz PSZAJJMCKHOZGL-SNVBAGLBSA-N 1 0 305.147 1.178 10 0 DDAERO Cc1nc(-c2cccc(NC(=O)C3([NH3+])CCOCC3)c2)n[nH]1 ZINC000262324941 407801263 /nfs/dbraw/zinc/80/12/63/407801263.db2.gz RNQKTQKGNORXKV-UHFFFAOYSA-N 1 0 301.350 1.227 10 0 DDAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2cccc(N)c2)CC1 ZINC000179857150 407838945 /nfs/dbraw/zinc/83/89/45/407838945.db2.gz YLNRKDVJEUDJMQ-CYBMUJFWSA-N 1 0 305.422 1.434 10 0 DDAERO CCCN(c1ccc2nnc(C(F)(F)F)n2n1)[C@H]1CC[NH2+]C1 ZINC000262505805 407854096 /nfs/dbraw/zinc/85/40/96/407854096.db2.gz MLJKAHIOBKDSPU-VIFPVBQESA-N 1 0 314.315 1.721 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCCC2)cc1C ZINC000262525147 407857582 /nfs/dbraw/zinc/85/75/82/407857582.db2.gz LFSFAXUNCBJZFA-CYBMUJFWSA-N 1 0 305.378 1.143 10 0 DDAERO CCOC(=O)[C@H](c1ccccc1)N1CC[NH+](C[C@H](O)CC)CC1 ZINC000173459674 407880434 /nfs/dbraw/zinc/88/04/34/407880434.db2.gz PLZRNHMZRAKWNG-SJORKVTESA-N 1 0 320.433 1.679 10 0 DDAERO 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BDLPQGCJJFVJHQ-UKRRQHHQSA-N 1 0 304.442 1.703 10 0 DDAERO C[C@H](O)CN1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C[C@@H]1C ZINC000246829693 408349834 /nfs/dbraw/zinc/34/98/34/408349834.db2.gz KXBGPMDXOZAWNH-OWYFMNJBSA-N 1 0 311.470 1.161 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1cn2ccccc2n1 ZINC000246839049 408350963 /nfs/dbraw/zinc/35/09/63/408350963.db2.gz BIOUPKRZXZYHGE-HOTGVXAUSA-N 1 0 312.417 1.962 10 0 DDAERO COC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCCO2)cc1 ZINC000183179516 408345825 /nfs/dbraw/zinc/34/58/25/408345825.db2.gz GNAOZCAEYGKARC-BXUZGUMPSA-N 1 0 306.362 1.569 10 0 DDAERO C[C@H](CC(=O)N1CCC[C@@H](Cn2cncn2)C1)[C@@H]1CCC[NH2+]C1 ZINC000168577376 162180770 /nfs/dbraw/zinc/18/07/70/162180770.db2.gz WOCJBESINXNJSJ-BZUAXINKSA-N 1 0 319.453 1.543 10 0 DDAERO C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000170958740 162201957 /nfs/dbraw/zinc/20/19/57/162201957.db2.gz OSZJATAEGLBOFF-BRWVUGGUSA-N 1 0 323.481 1.478 10 0 DDAERO 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C[C@@](O)(C[NH2+][C@H](CC(N)=O)C1CCOCC1)c1ccccc1 ZINC000181960248 697468565 /nfs/dbraw/zinc/46/85/65/697468565.db2.gz HADVHKSNUKUGJH-NVXWUHKLSA-N 1 0 306.406 1.154 10 0 DDAERO CCC[C@@H](C(=O)Nc1ccc(-n2ccc(=O)cc2)nc1)[NH+](C)C ZINC000185202807 697515111 /nfs/dbraw/zinc/51/51/11/697515111.db2.gz BJTCKKAAHCUVSJ-HNNXBMFYSA-N 1 0 314.389 1.901 10 0 DDAERO C[C@H]([NH2+]CC(=O)N1CCO[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000192481992 697630309 /nfs/dbraw/zinc/63/03/09/697630309.db2.gz PALRXXQFJUIAJC-STQMWFEESA-N 1 0 320.389 1.356 10 0 DDAERO Cc1cc(S(=O)(=O)N[C@H]2CCC[NH2+][C@@H]2C)cnc1Cl ZINC000193452097 697667430 /nfs/dbraw/zinc/66/74/30/697667430.db2.gz DLELHQQAEYTWAZ-KOLCDFICSA-N 1 0 303.815 1.462 10 0 DDAERO Cc1cc(S(=O)(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc(C)c1F ZINC000193463544 697668361 /nfs/dbraw/zinc/66/83/61/697668361.db2.gz HSTACQWJXJXFHX-WCQYABFASA-N 1 0 300.399 1.861 10 0 DDAERO O=C(/C=C/c1ccc2c(c1)OCO2)N[C@@H]1C[NH+]2CCC1CC2 ZINC000222590542 697757763 /nfs/dbraw/zinc/75/77/63/697757763.db2.gz 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302.241 1.510 10 0 DDAERO C[NH2+]Cc1nnc(-n2cc(I)cn2)s1 ZINC000087698637 185230805 /nfs/dbraw/zinc/23/08/05/185230805.db2.gz VBSICYAYFHAPER-UHFFFAOYSA-N 1 0 321.147 1.048 10 0 DDAERO Cc1nnc(SCC(=O)N[C@H]2CCCC[C@H]2C)n1CC[NH3+] ZINC000087711533 185230881 /nfs/dbraw/zinc/23/08/81/185230881.db2.gz VRDYLPBNGHPJTF-PWSUYJOCSA-N 1 0 311.455 1.332 10 0 DDAERO CCCCS(=O)(=O)C[C@@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000081973977 192347695 /nfs/dbraw/zinc/34/76/95/192347695.db2.gz AOAGNTSJPVHZJO-GFCCVEGCSA-N 1 0 301.408 1.919 10 0 DDAERO CCCc1ccc([C@@H]([NH3+])CS(=O)(=O)CCC(=O)OC)cc1 ZINC000081974813 192347789 /nfs/dbraw/zinc/34/77/89/192347789.db2.gz KNSWAEHYPACBAA-AWEZNQCLSA-N 1 0 313.419 1.617 10 0 DDAERO COc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1C(N)=S ZINC000087832354 185232374 /nfs/dbraw/zinc/23/23/74/185232374.db2.gz VJPPILMHSWPISS-NSHDSACASA-N 1 0 307.419 1.027 10 0 DDAERO [NH3+][C@@H](Cc1ccc(F)c(Br)c1)[C@@H]1COCCO1 ZINC000087857371 185233573 /nfs/dbraw/zinc/23/35/73/185233573.db2.gz 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C[C@@H](C[NH2+]Cc1ccc2c(c1)sc(=O)n2C)N1CCOCC1 ZINC000192461882 539259740 /nfs/dbraw/zinc/25/97/40/539259740.db2.gz VMDQQLCRWSGHKD-LBPRGKRZSA-N 1 0 321.446 1.410 10 0 DDAERO C[NH2+]CCN(C)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000263229023 290660936 /nfs/dbraw/zinc/66/09/36/290660936.db2.gz HKSXZMFCMOILNE-HOCLYGCPSA-N 1 0 303.406 1.274 10 0 DDAERO CC[NH2+]C[C@H](Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000088790141 185265936 /nfs/dbraw/zinc/26/59/36/185265936.db2.gz FFYNGQYCOKDKLT-OLZOCXBDSA-N 1 0 316.854 1.938 10 0 DDAERO C[NH2+][C@@H]1CCC[C@H]1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000081990680 192350423 /nfs/dbraw/zinc/35/04/23/192350423.db2.gz HQHVAYHOONOARP-CHWSQXEVSA-N 1 0 317.432 1.004 10 0 DDAERO COC(=O)CCS(=O)(=O)[C@H](C)[C@@H]([NH3+])c1ccc(OC)cc1 ZINC000082004580 192353277 /nfs/dbraw/zinc/35/32/77/192353277.db2.gz UMOUKPQWLXZPQX-QMTHXVAHSA-N 1 0 315.391 1.061 10 0 DDAERO C[NH2+][C@@H](C[S@@](=O)CCS(C)(=O)=O)c1ccccc1C ZINC000081992075 192352585 /nfs/dbraw/zinc/35/25/85/192352585.db2.gz 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185295860 /nfs/dbraw/zinc/29/58/60/185295860.db2.gz UFLAUGDBVZHLFS-GHMZBOCLSA-N 1 0 304.268 1.758 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)NCc1cc(Br)cs1 ZINC000090438063 185296710 /nfs/dbraw/zinc/29/67/10/185296710.db2.gz GRSPSCMKUYNSSY-ZJUUUORDSA-N 1 0 319.224 1.361 10 0 DDAERO CC(=O)Nc1ccc(NC(=O)[C@]2(C)COC[C@@H]2[NH3+])cc1Cl ZINC000090586640 185305132 /nfs/dbraw/zinc/30/51/32/185305132.db2.gz QBNQDOJBNAMGRT-GXTWGEPZSA-N 1 0 311.769 1.601 10 0 DDAERO C[C@]1(C(=O)Nc2ccc(OC(F)F)c(F)c2)COC[C@H]1[NH3+] ZINC000090589910 185305499 /nfs/dbraw/zinc/30/54/99/185305499.db2.gz ARCKAPNRAIEWPX-MFKMUULPSA-N 1 0 304.268 1.729 10 0 DDAERO C[NH+](C)C[C@@H]1CSCCCN1C(=O)COc1ccccc1 ZINC000090699918 185310500 /nfs/dbraw/zinc/31/05/00/185310500.db2.gz LXRLQDIDHZSZAB-CQSZACIVSA-N 1 0 308.447 1.961 10 0 DDAERO C[NH+](C)C[C@H]1CSCCCN1S(=O)(=O)c1ccccc1 ZINC000090700281 185310523 /nfs/dbraw/zinc/31/05/23/185310523.db2.gz YJSLZXBTYSIAKI-ZDUSSCGKSA-N 1 0 314.476 1.744 10 0 DDAERO CCc1nc(CS(C)(=O)=O)nc(CC)c1CC[NH2+]C1CC1 ZINC000092318887 185312051 /nfs/dbraw/zinc/31/20/51/185312051.db2.gz ARVDJBXRTOIQBU-UHFFFAOYSA-N 1 0 311.451 1.441 10 0 DDAERO C[NH2+]C[C@@H](C)Cc1c(C)nn([C@@]2(C)CCS(=O)(=O)C2)c1C ZINC000092321838 185312259 /nfs/dbraw/zinc/31/22/59/185312259.db2.gz YJZVHHRPPLXCDJ-NHYWBVRUSA-N 1 0 313.467 1.432 10 0 DDAERO CCc1nn(CCS(C)(=O)=O)c(CC)c1CC[NH2+]C(C)C ZINC000092323475 185312302 /nfs/dbraw/zinc/31/23/02/185312302.db2.gz OQAXJJUTAHPZQA-UHFFFAOYSA-N 1 0 315.483 1.593 10 0 DDAERO C[N@@H+]1CC[C@H](Cn2c(N)nc3cc(Br)cnc32)C1 ZINC000092575368 185326851 /nfs/dbraw/zinc/32/68/51/185326851.db2.gz YIBMUJGLWRFKGP-QMMMGPOBSA-N 1 0 310.199 1.728 10 0 DDAERO CCC(CC)[C@H](C(=O)N1CC[C@H]([NH+](C)C)C1)N1CCOCC1 ZINC000173499312 282251334 /nfs/dbraw/zinc/25/13/34/282251334.db2.gz ANCYIPOENSRDLK-JKSUJKDBSA-N 1 0 311.470 1.286 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(N)cc(F)c1 ZINC000092622680 185329856 /nfs/dbraw/zinc/32/98/56/185329856.db2.gz QUYISMJAOBAGEM-CYBMUJFWSA-N 1 0 315.414 1.513 10 0 DDAERO C[NH2+][C@H]1c2cc(OC)ccc2C[C@@H]1Sc1n[nH]c(=O)n1C ZINC000092911749 185348444 /nfs/dbraw/zinc/34/84/44/185348444.db2.gz HXXXHAXFIUGMBT-RYUDHWBXSA-N 1 0 306.391 1.095 10 0 DDAERO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000092952279 185350294 /nfs/dbraw/zinc/35/02/94/185350294.db2.gz FAEDNTSHCIZNIQ-PSASIEDQSA-N 1 0 306.757 1.252 10 0 DDAERO Cc1cccc(NC(=O)NCC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000262750751 282294144 /nfs/dbraw/zinc/29/41/44/282294144.db2.gz MRDTYIGCDIDHEC-UKRRQHHQSA-N 1 0 318.421 1.845 10 0 DDAERO [NH3+]C[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(F)c1 ZINC000111372688 185589196 /nfs/dbraw/zinc/58/91/96/185589196.db2.gz DGGRKWPRQSJBMD-AWEZNQCLSA-N 1 0 308.378 1.674 10 0 DDAERO [NH3+]CCc1c(Sc2n[nH]c(=O)n2C2CC2)nc2sccn12 ZINC000111586225 185615280 /nfs/dbraw/zinc/61/52/80/185615280.db2.gz QKJASIFALIHTRG-UHFFFAOYSA-N 1 0 322.419 1.268 10 0 DDAERO CC(C)(C)OC(=O)c1cn([C@H]2CCOC3(CC[NH2+]CC3)C2)nn1 ZINC000725271727 539570163 /nfs/dbraw/zinc/57/01/63/539570163.db2.gz BLZMRWHUCUEYDB-LBPRGKRZSA-N 1 0 322.409 1.707 10 0 DDAERO CC[C@@H]1C[C@@](C[NH3+])(N2CCN(CC(F)(F)F)CC2)CCO1 ZINC000070363095 190882808 /nfs/dbraw/zinc/88/28/08/190882808.db2.gz FUNRHWFYPVIYHG-OLZOCXBDSA-N 1 0 309.376 1.453 10 0 DDAERO CN1CC[C@H](Oc2ccc(CC[NH3+])cc2Br)C1=O ZINC000071184859 190938440 /nfs/dbraw/zinc/93/84/40/190938440.db2.gz LRFSOXDQWNJSFN-LBPRGKRZSA-N 1 0 313.195 1.560 10 0 DDAERO Cc1nc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH+](C)C)C3)cc2o1 ZINC000170844861 197835270 /nfs/dbraw/zinc/83/52/70/197835270.db2.gz GRXWNWMDQYHXFF-GFCCVEGCSA-N 1 0 316.361 1.237 10 0 DDAERO C[C@@H]1C[C@H](NC(=O)C[C@@H](NC(N)=O)c2cccs2)CC[NH2+]1 ZINC000262844236 186312294 /nfs/dbraw/zinc/31/22/94/186312294.db2.gz JGXSGDJFVQJFPT-GMTAPVOTSA-N 1 0 310.423 1.104 10 0 DDAERO C[NH+](C)CCNC(=O)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000072450861 191169976 /nfs/dbraw/zinc/16/99/76/191169976.db2.gz JJDILTUVMJUFER-UHFFFAOYSA-N 1 0 319.792 1.987 10 0 DDAERO c1cn(-c2ccccc2CNc2ncnc3c2CC[NH2+]CC3)cn1 ZINC000072481281 191181714 /nfs/dbraw/zinc/18/17/14/191181714.db2.gz ZPLNOYDQYCTHJO-UHFFFAOYSA-N 1 0 320.400 1.963 10 0 DDAERO Cc1ccc(CNC(=O)CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000172802637 198151389 /nfs/dbraw/zinc/15/13/89/198151389.db2.gz LUWWSSDAEZSSKM-QGZVFWFLSA-N 1 0 301.434 1.781 10 0 DDAERO COc1cccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000173235766 198198638 /nfs/dbraw/zinc/19/86/38/198198638.db2.gz FZHUJCIPOTUOQM-CHWSQXEVSA-N 1 0 307.394 1.614 10 0 DDAERO COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cc1OC ZINC000173397071 198210408 /nfs/dbraw/zinc/21/04/08/198210408.db2.gz FFVKSCFPSAUVNR-DGCLKSJQSA-N 1 0 302.378 1.961 10 0 DDAERO COc1c(C)cnc(CN(C)C(=O)[C@@H]([NH3+])CCSC)c1C ZINC000182100535 199386179 /nfs/dbraw/zinc/38/61/79/199386179.db2.gz OBUOZDUQAMILCI-LBPRGKRZSA-N 1 0 311.451 1.746 10 0 DDAERO CC[C@@H]1CN(C(=O)COCc2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000174612421 198358745 /nfs/dbraw/zinc/35/87/45/198358745.db2.gz GBCRRKZTOCOBLN-NVXWUHKLSA-N 1 0 320.433 1.507 10 0 DDAERO C[NH2+]C[C@H](O)c1ncc(Br)cc1Br ZINC000130119289 354088977 /nfs/dbraw/zinc/08/89/77/354088977.db2.gz ZCSKVCLBVLGMFU-ZETCQYMHSA-N 1 0 309.989 1.859 10 0 DDAERO CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000236799607 202015043 /nfs/dbraw/zinc/01/50/43/202015043.db2.gz RREYGCBCJGPUBB-KGLIPLIRSA-N 1 0 307.438 1.139 10 0 DDAERO Cn1ccc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2cncnc2)c1 ZINC000328653817 354560487 /nfs/dbraw/zinc/56/04/87/354560487.db2.gz XABFPGRTOMZUFH-IRXDYDNUSA-N 1 0 317.412 1.860 10 0 DDAERO OCC[NH+]1CCC(NCc2ccccc2Br)CC1 ZINC000399031636 354656721 /nfs/dbraw/zinc/65/67/21/354656721.db2.gz LZWXLQFJCCVHRL-UHFFFAOYSA-N 1 0 313.239 1.995 10 0 DDAERO [NH3+][C@H]1CC(F)(F)C[C@H]1NC(=O)c1ccccc1-n1nccn1 ZINC000584592103 354743518 /nfs/dbraw/zinc/74/35/18/354743518.db2.gz NLLVPPPWEIKZIE-WDEREUQCSA-N 1 0 307.304 1.122 10 0 DDAERO O=C(OCc1ccccc1)N1CCC[C@@H](N2CC[NH2+]CC2)C1 ZINC000073652681 191336055 /nfs/dbraw/zinc/33/60/55/191336055.db2.gz UDKXRQZGUANMQN-MRXNPFEDSA-N 1 0 303.406 1.693 10 0 DDAERO C[C@@H](CC(N)=[NH2+])N(C)S(=O)(=O)c1c(F)cc(F)cc1F ZINC000079781358 191972128 /nfs/dbraw/zinc/97/21/28/191972128.db2.gz LGYUWOMLQYCVMI-LURJTMIESA-N 1 0 309.313 1.439 10 0 DDAERO Cc1cc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])ccc1NS(C)(=O)=O ZINC000085363508 192496165 /nfs/dbraw/zinc/49/61/65/192496165.db2.gz NIPJCPPXVUWGDV-VXGBXAGGSA-N 1 0 311.407 1.432 10 0 DDAERO CCc1nc(N2CC[C@H](COC)C2)sc1C[NH2+]CCOC ZINC000081119972 192229446 /nfs/dbraw/zinc/22/94/46/192229446.db2.gz IIQPXEIDAUSINS-LBPRGKRZSA-N 1 0 313.467 1.914 10 0 DDAERO [NH3+]C[C@H](c1cccc(Br)c1)N1CCn2cnnc2C1 ZINC000081531233 192285025 /nfs/dbraw/zinc/28/50/25/192285025.db2.gz SMFBYKBVHWATFN-GFCCVEGCSA-N 1 0 322.210 1.556 10 0 DDAERO CCC[NH2+]Cc1sc(N2CCn3cnnc3C2)nc1CC ZINC000081544157 192287928 /nfs/dbraw/zinc/28/79/28/192287928.db2.gz MUZWCYLRPIGFQU-UHFFFAOYSA-N 1 0 306.439 1.817 10 0 DDAERO CC[NH2+]C[C@H](C(C)C)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081542797 192288228 /nfs/dbraw/zinc/28/82/28/192288228.db2.gz FAYDXCVMPZCYGH-SNVBAGLBSA-N 1 0 305.348 1.747 10 0 DDAERO C[C@H](C(N)=S)[NH+]1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000081586279 192296854 /nfs/dbraw/zinc/29/68/54/192296854.db2.gz WRLFNJNHTUIMKT-MRVPVSSYSA-N 1 0 319.356 1.292 10 0 DDAERO C[C@@H](C[NH3+])CN1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000081586153 192297239 /nfs/dbraw/zinc/29/72/39/192297239.db2.gz MVARVDCOHBSNEY-JTQLQIEISA-N 1 0 303.332 1.212 10 0 DDAERO C[C@H](CNS(=O)(=O)c1cnc(Cl)c(Cl)c1)[NH+](C)C ZINC000081672935 192310575 /nfs/dbraw/zinc/31/05/75/192310575.db2.gz AZRRODQTOZYJLB-SSDOTTSWSA-N 1 0 312.222 1.617 10 0 DDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000236914808 202069353 /nfs/dbraw/zinc/06/93/53/202069353.db2.gz FODWOFFXIRDWAC-IINYFYTJSA-N 1 0 318.377 1.050 10 0 DDAERO NC(=O)C[C@H](C[NH3+])Nc1ccc(Cl)c(Br)c1 ZINC000087152807 192626129 /nfs/dbraw/zinc/62/61/29/192626129.db2.gz FZFGEOFDRSLPMF-SSDOTTSWSA-N 1 0 306.591 1.717 10 0 DDAERO Cc1nn(CC[NH3+])c(C)c1S(=O)(=O)N1CCCC[C@H]1C ZINC000088907016 192652107 /nfs/dbraw/zinc/65/21/07/192652107.db2.gz SBCDSXQXVNPTCZ-SNVBAGLBSA-N 1 0 300.428 1.022 10 0 DDAERO CC[NH2+]Cc1cc(S(=O)(=O)N2CCSCC2)cn1CC ZINC000088931938 192661569 /nfs/dbraw/zinc/66/15/69/192661569.db2.gz HJDBIRVUMTXZOZ-UHFFFAOYSA-N 1 0 317.480 1.355 10 0 DDAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)NC1CCCCCC1 ZINC000088974211 192677192 /nfs/dbraw/zinc/67/71/92/192677192.db2.gz RBSZOJYOANVAED-AWEZNQCLSA-N 1 0 303.472 1.618 10 0 DDAERO COc1ccc(S(=O)(=O)N(C)CCC(C)C)c(CC[NH3+])c1 ZINC000088991357 192685837 /nfs/dbraw/zinc/68/58/37/192685837.db2.gz AYIZJFOXQHCJHH-UHFFFAOYSA-N 1 0 314.451 1.863 10 0 DDAERO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N[C@H]2C[C@@H]2C)CC1 ZINC000179963722 199100892 /nfs/dbraw/zinc/10/08/92/199100892.db2.gz FHKDCLNGCUVTAJ-AAEUAGOBSA-N 1 0 319.409 1.003 10 0 DDAERO CCNC(=O)NC(=O)C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000180655239 199191189 /nfs/dbraw/zinc/19/11/89/199191189.db2.gz SZKIHVOEQSHEEY-GFCCVEGCSA-N 1 0 315.377 1.369 10 0 DDAERO C[C@@H]1C[N@H+](Cc2cccc3nccn32)C[C@@H]1N1CCOCC1 ZINC000180654888 199191935 /nfs/dbraw/zinc/19/19/35/199191935.db2.gz DRZOJKGJCKRBJD-ZBFHGGJFSA-N 1 0 300.406 1.487 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2nnc(C(F)F)s2)CCO1 ZINC000181184691 199261691 /nfs/dbraw/zinc/26/16/91/199261691.db2.gz FCAUIDXFMUFNIC-SSDOTTSWSA-N 1 0 321.353 1.270 10 0 DDAERO CCC[NH2+]CC1CCN(S(=O)(=O)N[C@H]2CC2(C)C)CC1 ZINC000089014251 192698301 /nfs/dbraw/zinc/69/83/01/192698301.db2.gz DPBYZSSGGLPMEJ-ZDUSSCGKSA-N 1 0 303.472 1.331 10 0 DDAERO Cc1nn(C)c(C[C@H]([NH3+])Cc2cccnc2)c1Br ZINC000089251287 192751372 /nfs/dbraw/zinc/75/13/72/192751372.db2.gz LUVWSOPSJGXOFV-LLVKDONJSA-N 1 0 309.211 1.999 10 0 DDAERO CCc1nn(C)c(C[C@@]2(O)CCC[NH2+]C2)c1Br ZINC000089323634 192766737 /nfs/dbraw/zinc/76/67/37/192766737.db2.gz KMODFUIYZQEHOD-LBPRGKRZSA-N 1 0 302.216 1.402 10 0 DDAERO CS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000089389015 192777299 /nfs/dbraw/zinc/77/72/99/192777299.db2.gz MLIXGZVEMNZNPC-JQWIXIFHSA-N 1 0 311.407 1.189 10 0 DDAERO CC(C)OCCOC[C@H](O)C[NH2+]C[C@H]1CCCC[C@@H]1CO ZINC000089531764 192812255 /nfs/dbraw/zinc/81/22/55/192812255.db2.gz FABXHIBORHROOL-BZUAXINKSA-N 1 0 303.443 1.177 10 0 DDAERO COCCOc1cccc(CC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000186926071 200032049 /nfs/dbraw/zinc/03/20/49/200032049.db2.gz FFPRBYYHYLOJOG-USXIJHARSA-N 1 0 318.417 1.450 10 0 DDAERO C[C@H](CC(=O)NCC(=O)Nc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237603377 202299766 /nfs/dbraw/zinc/29/97/66/202299766.db2.gz OBBNOCOZYKSBMM-CHWSQXEVSA-N 1 0 321.396 1.906 10 0 DDAERO C[C@H](CC(=O)NCC[S@@](=O)C(C)(C)C)C1CC[NH2+]CC1 ZINC000237636053 202312617 /nfs/dbraw/zinc/31/26/17/202312617.db2.gz AIWLOHXMVDOYFC-MPBGBICISA-N 1 0 302.484 1.676 10 0 DDAERO CSc1ccccc1S(=O)(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000193457849 201054891 /nfs/dbraw/zinc/05/48/91/201054891.db2.gz CVRRUQMZLUWAAA-QWRGUYRKSA-N 1 0 300.449 1.827 10 0 DDAERO C[C@@H]([NH2+]Cc1ccnc(N)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000193476019 201058764 /nfs/dbraw/zinc/05/87/64/201058764.db2.gz MQXSDZXTDIBMJQ-LLVKDONJSA-N 1 0 305.403 1.918 10 0 DDAERO CCC[NH2+]C[C@@](C)(O)COc1cncc(Br)c1 ZINC000090824556 192938007 /nfs/dbraw/zinc/93/80/07/192938007.db2.gz CLZPAMCCOUJSJL-GFCCVEGCSA-N 1 0 303.200 1.974 10 0 DDAERO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc(F)c(F)c3)C[C@H]12 ZINC000248609852 202751154 /nfs/dbraw/zinc/75/11/54/202751154.db2.gz KQDNHCFVFZXZCC-DFAYQTQMSA-N 1 0 302.346 1.323 10 0 DDAERO CC[C@@H]([NH3+])Cc1cn(CCS(=O)(=O)CC)c2ncccc12 ZINC000091022000 192971233 /nfs/dbraw/zinc/97/12/33/192971233.db2.gz AWJLPAFUEYKEJY-CYBMUJFWSA-N 1 0 309.435 1.751 10 0 DDAERO NC(=O)c1ccc(Cl)c(NC(=O)C[C@@H]2CSCC[NH2+]2)c1 ZINC000091134763 193000216 /nfs/dbraw/zinc/00/02/16/193000216.db2.gz KZUQYYNORHBYQT-SECBINFHSA-N 1 0 313.810 1.473 10 0 DDAERO COC(=O)c1ccc(Cl)cc1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000091299797 193034751 /nfs/dbraw/zinc/03/47/51/193034751.db2.gz YYYWBAIPZTWTAT-JTQLQIEISA-N 1 0 312.753 1.444 10 0 DDAERO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc(N)cc(F)c2F)C1 ZINC000091393877 193050473 /nfs/dbraw/zinc/05/04/73/193050473.db2.gz FVHTYZLTTRMWCK-JTQLQIEISA-N 1 0 319.377 1.262 10 0 DDAERO OC1CC([NH2+]Cc2cc3c(cc2Br)OCO3)C1 ZINC000091428720 193055404 /nfs/dbraw/zinc/05/54/04/193055404.db2.gz VGHDRZCCPNZNRO-UHFFFAOYSA-N 1 0 300.152 1.791 10 0 DDAERO COCC[NH2+]C[C@H](O)Cc1ccc(Br)cc1F ZINC000091470242 193060301 /nfs/dbraw/zinc/06/03/01/193060301.db2.gz OEVITISMLXAWIY-LLVKDONJSA-N 1 0 306.175 1.728 10 0 DDAERO C[N@@H+](CC(=O)Nc1cccc2nsnc21)CC1CC(O)C1 ZINC000091489704 193063410 /nfs/dbraw/zinc/06/34/10/193063410.db2.gz NDHQSFPMSBYGNJ-UHFFFAOYSA-N 1 0 306.391 1.333 10 0 DDAERO CC[NH2+][C@H](CCCS(=O)(=O)CC)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721567 193097199 /nfs/dbraw/zinc/09/71/99/193097199.db2.gz UXCPBCAXZHSIAA-RBSFLKMASA-N 1 0 318.483 1.043 10 0 DDAERO [NH3+]C[C@@H](c1ccc(Cl)s1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000091752296 193102172 /nfs/dbraw/zinc/10/21/72/193102172.db2.gz PHGXROHFFVLOSC-BDAKNGLRSA-N 1 0 300.815 1.111 10 0 DDAERO C[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000091752128 193102214 /nfs/dbraw/zinc/10/22/14/193102214.db2.gz KXBHFBZCFDMRKK-GDLCADMTSA-N 1 0 308.813 1.438 10 0 DDAERO CC[NH2+]C1CCC(N(C)S(=O)(=O)c2c[nH]nc2C)CC1 ZINC000091869895 193121453 /nfs/dbraw/zinc/12/14/53/193121453.db2.gz WCWUPQJPWGEMCA-UHFFFAOYSA-N 1 0 300.428 1.259 10 0 DDAERO CNS(=O)(=O)c1ccc(N(C)C2CCC([NH2+]C)CC2)cc1 ZINC000091870908 193121455 /nfs/dbraw/zinc/12/14/55/193121455.db2.gz QCSVRFJOXHFKBW-UHFFFAOYSA-N 1 0 311.451 1.562 10 0 DDAERO Brc1cn2c(C[NH2+]C[C@H]3CCCO3)cnc2cn1 ZINC000092048959 193148644 /nfs/dbraw/zinc/14/86/44/193148644.db2.gz NVAITABIVJJGJA-SNVBAGLBSA-N 1 0 311.183 1.760 10 0 DDAERO CCn1cc(O[C@@H]2C[N@H+](CCOc3ccccc3)C[C@H]2O)cn1 ZINC000625620466 367053968 /nfs/dbraw/zinc/05/39/68/367053968.db2.gz UVZFMAVRTPQTIS-IAGOWNOFSA-N 1 0 317.389 1.406 10 0 DDAERO COc1ccc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)c(CC[NH3+])c1 ZINC000092113815 193161197 /nfs/dbraw/zinc/16/11/97/193161197.db2.gz AOUSDIRBOSMCKJ-RYUDHWBXSA-N 1 0 312.435 1.473 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)c(F)c1 ZINC000092115493 193163350 /nfs/dbraw/zinc/16/33/50/193163350.db2.gz FLBXUHHZICXAMS-LLVKDONJSA-N 1 0 300.399 1.966 10 0 DDAERO C[C@H](NS(=O)(=O)c1ccc(C[NH3+])cc1F)c1nccs1 ZINC000092116240 193163887 /nfs/dbraw/zinc/16/38/87/193163887.db2.gz CMUDCLYAUTYRKQ-QMMMGPOBSA-N 1 0 315.395 1.780 10 0 DDAERO CC(C)[C@H](NC(=O)c1ccco1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000250140144 202821630 /nfs/dbraw/zinc/82/16/30/202821630.db2.gz YTQLUTLHISBZRF-SCRDCRAPSA-N 1 0 307.394 1.148 10 0 DDAERO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000250643893 202822952 /nfs/dbraw/zinc/82/29/52/202822952.db2.gz IROXRMGCRGGHSX-GRYCIOLGSA-N 1 0 307.360 1.504 10 0 DDAERO CCN(CC(C)(C)O)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C)cc1 ZINC000092984452 193191395 /nfs/dbraw/zinc/19/13/95/193191395.db2.gz FQXWKKXPLFBWPE-GFCCVEGCSA-N 1 0 314.451 1.749 10 0 DDAERO COc1ccc([C@H](O)CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000262190797 203225827 /nfs/dbraw/zinc/22/58/27/203225827.db2.gz UJZKWQNAUQJPRT-BSWAZPDLSA-N 1 0 318.417 1.766 10 0 DDAERO COCC[NH2+]C[C@H](CCCS(C)(=O)=O)c1ccc(F)cc1 ZINC000093148035 193207713 /nfs/dbraw/zinc/20/77/13/193207713.db2.gz IUBAQPPVRVXBDD-AWEZNQCLSA-N 1 0 317.426 1.970 10 0 DDAERO CC[C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)CCS1 ZINC000262275922 203247519 /nfs/dbraw/zinc/24/75/19/203247519.db2.gz NKMQSBJXIMODGZ-MCIONIFRSA-N 1 0 308.451 1.077 10 0 DDAERO C[C@@H](C[C@H]1CCCC[NH2+]1)Nc1ccc(CS(N)(=O)=O)cc1 ZINC000093485876 193257842 /nfs/dbraw/zinc/25/78/42/193257842.db2.gz RPYPXLTZYFSWQN-SWLSCSKDSA-N 1 0 311.451 1.808 10 0 DDAERO [NH2+]=C1NC[C@]2(COc3cc(O)ccc32)N1Cc1cccs1 ZINC000093392815 193243001 /nfs/dbraw/zinc/24/30/01/193243001.db2.gz NYBPHSSBMNSPII-OAHLLOKOSA-N 1 0 301.371 1.872 10 0 DDAERO CCC[C@@](C)([NH3+])C(=O)N1CCN(c2nccc(OCC)n2)CC1 ZINC000262720900 203392913 /nfs/dbraw/zinc/39/29/13/203392913.db2.gz ZJGMIQJTJVFIFL-MRXNPFEDSA-N 1 0 321.425 1.041 10 0 DDAERO CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCSc1cnn(C)c1 ZINC000093630127 193275977 /nfs/dbraw/zinc/27/59/77/193275977.db2.gz RFUVIXJYXSODJP-WFASDCNBSA-N 1 0 310.467 1.925 10 0 DDAERO Cc1nnc(SCC[C@H]2CCC[C@@]2([NH2+]C(C)C)C(N)=O)o1 ZINC000093630239 193277466 /nfs/dbraw/zinc/27/74/66/193277466.db2.gz VHCQVGWCYUMCCL-RISCZKNCSA-N 1 0 312.439 1.882 10 0 DDAERO CC[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cnccn1 ZINC000093700040 193294277 /nfs/dbraw/zinc/29/42/77/193294277.db2.gz ZJXMEBVJEBIPQV-QWHCGFSZSA-N 1 0 312.439 1.189 10 0 DDAERO CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@@H](Sc2nncs2)C1 ZINC000093778023 193304526 /nfs/dbraw/zinc/30/45/26/193304526.db2.gz XTCBHOOEVFDAIU-SKDRFNHKSA-N 1 0 300.453 1.795 10 0 DDAERO CC[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)[C@@H]1CN(CC)CCO1 ZINC000093914985 193328461 /nfs/dbraw/zinc/32/84/61/193328461.db2.gz ARECZHRTYVPHEQ-JSGCOSHPSA-N 1 0 314.861 1.623 10 0 DDAERO CCN(CC1CC[NH2+]CC1)S(=O)(=O)Cc1cc(C)on1 ZINC000094023948 193339480 /nfs/dbraw/zinc/33/94/80/193339480.db2.gz ISOFCGPGPYAWCK-UHFFFAOYSA-N 1 0 301.412 1.134 10 0 DDAERO C[NH2+][C@H](Cc1nc(C(C)(C)C)cs1)[C@H]1CN(C)CCN1C ZINC000094257037 193355725 /nfs/dbraw/zinc/35/57/25/193355725.db2.gz GGMBTZGMPLWENA-CHWSQXEVSA-N 1 0 310.511 1.817 10 0 DDAERO C[C@H]([NH3+])[C@H](c1ccccc1Cl)N(C)CCS(C)(=O)=O ZINC000094297221 193356901 /nfs/dbraw/zinc/35/69/01/193356901.db2.gz WSRKKFMOWPMKBM-GXFFZTMASA-N 1 0 304.843 1.705 10 0 DDAERO COc1ccc([C@@H](C[NH3+])N(C)CCS(C)(=O)=O)cc1Cl ZINC000094297664 193357109 /nfs/dbraw/zinc/35/71/09/193357109.db2.gz RZWOKRQZKHLNES-GFCCVEGCSA-N 1 0 320.842 1.325 10 0 DDAERO CC[NH2+][C@@H]1c2ccccc2OC[C@H]1N(C)CCS(C)(=O)=O ZINC000094298253 193357394 /nfs/dbraw/zinc/35/73/94/193357394.db2.gz JFTQIPFKGQQQME-UKRRQHHQSA-N 1 0 312.435 1.075 10 0 DDAERO CC(C)Cc1ccc([C@@H]([NH3+])CN(C)CCS(C)(=O)=O)cc1 ZINC000094298361 193357530 /nfs/dbraw/zinc/35/75/30/193357530.db2.gz ASRAJXVTMMZFHO-INIZCTEOSA-N 1 0 312.479 1.861 10 0 DDAERO Cc1cc(CN(C)CCS(C)(=O)=O)oc1C[NH2+]C(C)C ZINC000094300880 193358846 /nfs/dbraw/zinc/35/88/46/193358846.db2.gz BMVFUFOVJBEUGV-UHFFFAOYSA-N 1 0 302.440 1.562 10 0 DDAERO CC1(C)CC[C@](C[NH3+])([C@@H]2CS(=O)(=O)c3ccccc32)[C@H]1O ZINC000094314814 193359835 /nfs/dbraw/zinc/35/98/35/193359835.db2.gz WKIKZIDERPARDU-INWMFGNUSA-N 1 0 309.431 1.684 10 0 DDAERO NC(=O)c1ccc(C(F)(F)F)nc1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000094337327 193360815 /nfs/dbraw/zinc/36/08/15/193360815.db2.gz IVDHIYPMBQLFSB-RKDXNWHRSA-N 1 0 302.300 1.881 10 0 DDAERO COC[C@H]1CCN(c2nc(C(F)(F)F)ccc2C(N)=[NH2+])C1 ZINC000094336771 193361001 /nfs/dbraw/zinc/36/10/01/193361001.db2.gz LAAIRYQTGVUAQM-QMMMGPOBSA-N 1 0 302.300 1.857 10 0 DDAERO C[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2F)CC[C@@H]1[NH3+] ZINC000094340747 193362070 /nfs/dbraw/zinc/36/20/70/193362070.db2.gz JHQSJHHIBREINH-CBAPKCEASA-N 1 0 308.325 1.462 10 0 DDAERO O=S1(=O)CC[C@@H](Oc2c(F)cc(C[NH2+]C3CC3)cc2F)C1 ZINC000094347685 193363225 /nfs/dbraw/zinc/36/32/25/193363225.db2.gz HGXKRAWQFJTORB-LLVKDONJSA-N 1 0 317.357 1.783 10 0 DDAERO COCC[NH2+]Cc1cc(F)c(O[C@@H](C)C(=O)OC)c(F)c1 ZINC000094348161 193363489 /nfs/dbraw/zinc/36/34/89/193363489.db2.gz QLYGSXBRSJJJHK-VIFPVBQESA-N 1 0 303.305 1.641 10 0 DDAERO Cc1c(F)cc(N)cc1S(=O)(=O)N[C@H](C)CC[NH+](C)C ZINC000094360306 193364893 /nfs/dbraw/zinc/36/48/93/193364893.db2.gz ZSVKCBGWISQZMR-SECBINFHSA-N 1 0 303.403 1.335 10 0 DDAERO CCC[NH2+]C1CCN([C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094633983 193385632 /nfs/dbraw/zinc/38/56/32/193385632.db2.gz AHDTVTAFEZKPOH-LSDHHAIUSA-N 1 0 302.484 1.806 10 0 DDAERO CS(=O)(=O)[C@@H]1CCC[C@@H](Oc2ccc3c(c2)OC[C@@H]3[NH3+])C1 ZINC000094634516 193386400 /nfs/dbraw/zinc/38/64/00/193386400.db2.gz YURXAOLQJGFSPQ-QKCSRTOESA-N 1 0 311.403 1.813 10 0 DDAERO CS(=O)(=O)[C@H]1CCC[C@H]([NH+]2CCC(C(N)=S)CC2)C1 ZINC000094636671 193386679 /nfs/dbraw/zinc/38/66/79/193386679.db2.gz QPLMNKXYPYDJBX-RYUDHWBXSA-N 1 0 304.481 1.340 10 0 DDAERO CS(=O)(=O)[C@H]1CCC[C@@H]([N@H+](CCC(N)=S)C2CC2)C1 ZINC000094636610 193387461 /nfs/dbraw/zinc/38/74/61/193387461.db2.gz QRKLXJPHMRQOLR-NEPJUHHUSA-N 1 0 304.481 1.483 10 0 DDAERO CCCNC(=O)CC[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000094371171 193367014 /nfs/dbraw/zinc/36/70/14/193367014.db2.gz LTNHHZYWONAFFI-ZDUSSCGKSA-N 1 0 300.468 1.937 10 0 DDAERO COC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094565993 193380895 /nfs/dbraw/zinc/38/08/95/193380895.db2.gz PUNJEWKOKMGAEJ-SKDRFNHKSA-N 1 0 312.753 1.571 10 0 DDAERO C[NH+](C)CCCNC(=O)c1cc(C(F)(F)F)ccc1NN ZINC000094596538 193382305 /nfs/dbraw/zinc/38/23/05/193382305.db2.gz CPJKVCTVUIRDIB-UHFFFAOYSA-N 1 0 304.316 1.673 10 0 DDAERO CS(=O)(=O)c1cccc(NC(=O)[C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000094750998 193395726 /nfs/dbraw/zinc/39/57/26/193395726.db2.gz PYYSVRXMBKYZOB-UONOGXRCSA-N 1 0 310.419 1.936 10 0 DDAERO Cc1cc(F)c(N)cc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1C ZINC000094779559 193397511 /nfs/dbraw/zinc/39/75/11/193397511.db2.gz ITPBSMNAXPKSTB-NSHDSACASA-N 1 0 315.414 1.479 10 0 DDAERO CCOCCC[C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)[NH2+]C ZINC000097309340 193706727 /nfs/dbraw/zinc/70/67/27/193706727.db2.gz NCIOUWASZLHJQE-UONOGXRCSA-N 1 0 306.472 1.453 10 0 DDAERO Cc1ccc(C)c(N2C[C@H](C(=O)NCCC[NH+](C)C)CC2=O)c1 ZINC000015453220 182003018 /nfs/dbraw/zinc/00/30/18/182003018.db2.gz HSRQCLSFRHXYOO-OAHLLOKOSA-N 1 0 317.433 1.724 10 0 DDAERO CNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000020302940 182204499 /nfs/dbraw/zinc/20/44/99/182204499.db2.gz UCETVYTTXOVGHA-MRVPVSSYSA-N 1 0 303.284 1.639 10 0 DDAERO CN(CC(=O)Nc1cc(Cl)ccc1N)C1CC[NH+](C)CC1 ZINC000020561160 182232324 /nfs/dbraw/zinc/23/23/24/182232324.db2.gz JNVVSKAOXGVCFJ-UHFFFAOYSA-N 1 0 310.829 1.887 10 0 DDAERO [NH3+]Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)OCO2 ZINC000021009142 182259311 /nfs/dbraw/zinc/25/93/11/182259311.db2.gz QKODNZDEEWGFPX-UHFFFAOYSA-N 1 0 306.343 1.675 10 0 DDAERO CCOc1cc(C[NH2+]CCNC(C)=O)ccc1OC(F)F ZINC000021013015 182259813 /nfs/dbraw/zinc/25/98/13/182259813.db2.gz OIMYGSZMSXVJMZ-UHFFFAOYSA-N 1 0 302.321 1.912 10 0 DDAERO COc1ccccc1CNS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000021504900 182275915 /nfs/dbraw/zinc/27/59/15/182275915.db2.gz GUBXAMLADITVNX-UHFFFAOYSA-N 1 0 306.387 1.632 10 0 DDAERO [NH3+]Cc1ccccc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000021793619 182289737 /nfs/dbraw/zinc/28/97/37/182289737.db2.gz PBKKGQCEHWNOTD-UHFFFAOYSA-N 1 0 302.399 1.892 10 0 DDAERO C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1S(=O)(=O)c1cc(F)ccc1Cl ZINC000097896612 193765686 /nfs/dbraw/zinc/76/56/86/193765686.db2.gz JYKLCKQKXIRQRP-LNLATYFQSA-N 1 0 318.801 1.850 10 0 DDAERO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1ccccc1CO ZINC000097937389 193768224 /nfs/dbraw/zinc/76/82/24/193768224.db2.gz BNAAELKIUDYKMT-UHFFFAOYSA-N 1 0 312.435 1.284 10 0 DDAERO CCN(CC)C(=O)CN(Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000261699604 284482336 /nfs/dbraw/zinc/48/23/36/284482336.db2.gz FZTZVOZWMDYZJF-CQSZACIVSA-N 1 0 324.494 1.731 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(OCC(F)(F)F)n2)C1 ZINC000121081848 248268661 /nfs/dbraw/zinc/26/86/61/248268661.db2.gz QSPMTSSTURHRHY-SNVBAGLBSA-N 1 0 317.311 1.799 10 0 DDAERO CC(C)NC(=O)CN1CCN(c2cnc3c(n2)CCCC3)CC1 ZINC000333611174 249041564 /nfs/dbraw/zinc/04/15/64/249041564.db2.gz XZNWUOMRJQSRAT-UHFFFAOYSA-N 1 0 317.437 1.002 10 0 DDAERO COC(=O)c1cc(Cl)ccc1NC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000040632792 183111904 /nfs/dbraw/zinc/11/19/04/183111904.db2.gz PLGHYPAFAUYRGU-JOYOIKCWSA-N 1 0 312.753 1.442 10 0 DDAERO CC(C)NS(=O)(=O)c1ccc(N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000040673403 183116542 /nfs/dbraw/zinc/11/65/42/183116542.db2.gz KJYXDPJTUKCOFD-CQSZACIVSA-N 1 0 311.451 1.879 10 0 DDAERO CN1CCN(Nc2[nH+]cnc(NCc3ccccc3)c2N)CC1 ZINC000040709257 183120660 /nfs/dbraw/zinc/12/06/60/183120660.db2.gz BTYQDYYFORZOMO-UHFFFAOYSA-N 1 0 313.409 1.245 10 0 DDAERO C[NH2+]C[C@@H]1CCCN(Cc2csc(CC(=O)N(C)C)n2)C1 ZINC000040600734 183107793 /nfs/dbraw/zinc/10/77/93/183107793.db2.gz LJVYZBJTMMWBJF-LBPRGKRZSA-N 1 0 310.467 1.205 10 0 DDAERO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000040833599 183140121 /nfs/dbraw/zinc/14/01/21/183140121.db2.gz GBWSPWJATMMUNR-LDYMZIIASA-N 1 0 312.391 1.149 10 0 DDAERO C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccc2c(c1)OCCO2 ZINC000333873048 249133789 /nfs/dbraw/zinc/13/37/89/249133789.db2.gz BZWOJVXZIFJLDX-YUTCNCBUSA-N 1 0 317.389 1.522 10 0 DDAERO Cc1csc2nc(CN3[C@@H]4CC[C@H]3CC([NH3+])C4)cc(=O)n12 ZINC000040750113 183128691 /nfs/dbraw/zinc/12/86/91/183128691.db2.gz AXNRUXIXAFKOJW-VGPLMAKISA-N 1 0 304.419 1.519 10 0 DDAERO CO[C@H]1CN(C(=O)NC2CC[NH+](C3CCC3)CC2)C[C@@H]1OC ZINC000333979446 249168478 /nfs/dbraw/zinc/16/84/78/249168478.db2.gz ACTHOFLMPZPQAW-GJZGRUSLSA-N 1 0 311.426 1.059 10 0 DDAERO CO[C@@H]1CN(C(=O)NC2CC[NH+](C3CCC3)CC2)C[C@H]1OC ZINC000333979447 249168547 /nfs/dbraw/zinc/16/85/47/249168547.db2.gz ACTHOFLMPZPQAW-HUUCEWRRSA-N 1 0 311.426 1.059 10 0 DDAERO CC[C@@H]([NH3+])Cc1cccc(Br)c1O[C@H](C)C(N)=O ZINC000042412903 183266821 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CC[C@@H]([NH3+])[C@H](c1cccc(F)c1)N1CCS(=O)(=O)CC1 ZINC000042971842 183324383 /nfs/dbraw/zinc/32/43/83/183324383.db2.gz CNSQNWAVTSYRRC-KGLIPLIRSA-N 1 0 300.399 1.335 10 0 DDAERO COc1cccc([C@H](Sc2nc(N)cc(=O)[nH]2)[C@@H](C)[NH3+])c1 ZINC000043033098 183331119 /nfs/dbraw/zinc/33/11/19/183331119.db2.gz CCAVDFUAJCXYCO-AMIZOPFISA-N 1 0 306.391 1.541 10 0 DDAERO CCCN(CC(F)(F)F)S(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000042782480 183308887 /nfs/dbraw/zinc/30/88/87/183308887.db2.gz VYPHQQXCAXYENQ-SNVBAGLBSA-N 1 0 302.362 1.590 10 0 DDAERO CCCN(CC(F)(F)F)S(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000042782486 183309272 /nfs/dbraw/zinc/30/92/72/183309272.db2.gz KERGFVWQUDDCEO-JTQLQIEISA-N 1 0 302.362 1.733 10 0 DDAERO [NH3+]CCc1ccc(S(=O)(=O)NC[C@@H]2CCCCO2)s1 ZINC000042825845 183312950 /nfs/dbraw/zinc/31/29/50/183312950.db2.gz CNLSSWGZWIAGHI-JTQLQIEISA-N 1 0 304.437 1.097 10 0 DDAERO CC[C@@H]([NH3+])[C@H](c1cccs1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043104812 183338274 /nfs/dbraw/zinc/33/82/74/183338274.db2.gz 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Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000105926251 194171803 /nfs/dbraw/zinc/17/18/03/194171803.db2.gz SBOPBVWVQPYQCM-HZPDHXFCSA-N 1 0 319.449 1.893 10 0 DDAERO C[C@@H](NC(=O)CN1CCO[C@H](C[NH+](C)C)C1)c1cccs1 ZINC000105927651 194172143 /nfs/dbraw/zinc/17/21/43/194172143.db2.gz BRHJJCUCJVDCKH-CHWSQXEVSA-N 1 0 311.451 1.188 10 0 DDAERO Cc1ccc(NC(=O)[C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cc1F ZINC000105932593 194172517 /nfs/dbraw/zinc/17/25/17/194172517.db2.gz YVSYGVJPQPJKQM-GXTWGEPZSA-N 1 0 309.385 1.381 10 0 DDAERO C[C@@H](NS(=O)(=O)C[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000049645940 183751668 /nfs/dbraw/zinc/75/16/68/183751668.db2.gz XTLMPUKUXRIJIX-NEPJUHHUSA-N 1 0 300.399 1.806 10 0 DDAERO C[NH2+]C[C@H](Cc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 ZINC000052949977 183881569 /nfs/dbraw/zinc/88/15/69/183881569.db2.gz SMPCXXOJPOUGQM-NEPJUHHUSA-N 1 0 303.374 1.778 10 0 DDAERO CCC[NH2+][C@@H]1CCCc2nc(N3CCNC(=O)[C@@H]3C)sc21 ZINC000110664272 194348458 /nfs/dbraw/zinc/34/84/58/194348458.db2.gz NHPGJGOAUZLEJV-WDEREUQCSA-N 1 0 308.451 1.845 10 0 DDAERO NC(=S)C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000110826119 194362042 /nfs/dbraw/zinc/36/20/42/194362042.db2.gz BBGPGEFWOSOHKN-UHFFFAOYSA-N 1 0 310.398 1.698 10 0 DDAERO CCCNc1ccc(S(=O)(=O)N(C)CCC[NH+](C)C)cn1 ZINC000111151179 194396886 /nfs/dbraw/zinc/39/68/86/194396886.db2.gz XNAAUXZBCUWZHW-UHFFFAOYSA-N 1 0 314.455 1.476 10 0 DDAERO CCN[C@](C)(CC[N@H+](C)CC1CCOCC1)C(=O)OCC ZINC000111170203 194398496 /nfs/dbraw/zinc/39/84/96/194398496.db2.gz RPHINFHCTMRXME-MRXNPFEDSA-N 1 0 300.443 1.666 10 0 DDAERO C[N@@H+]1CC[C@H](NC(=O)c2cc(N)c(F)cc2Br)C1 ZINC000061088712 184161244 /nfs/dbraw/zinc/16/12/44/184161244.db2.gz PZLUTUZYAJXFHE-ZETCQYMHSA-N 1 0 316.174 1.604 10 0 DDAERO CCN(CC)c1nc(Cl)nc(N(C)[C@H]2CCC[N@H+](C)C2)n1 ZINC000061542619 184174346 /nfs/dbraw/zinc/17/43/46/184174346.db2.gz SZZOXAZCASAUAM-NSHDSACASA-N 1 0 312.849 1.902 10 0 DDAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C1CC1)c1cnn(C)c1 ZINC000061594546 184175948 /nfs/dbraw/zinc/17/59/48/184175948.db2.gz POEAVIOYJZEOHV-QWRGUYRKSA-N 1 0 308.411 1.211 10 0 DDAERO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H](C(N)=S)c1ccccc1 ZINC000061616472 184178475 /nfs/dbraw/zinc/17/84/75/184178475.db2.gz BZQGDHQVBWLURJ-UONOGXRCSA-N 1 0 307.463 1.759 10 0 DDAERO NNc1ccc(Cl)c(Cn2ncc3ccccc3c2=O)[nH+]1 ZINC000061639187 184179858 /nfs/dbraw/zinc/17/98/58/184179858.db2.gz KNLTYXPRGRWZSJ-UHFFFAOYSA-N 1 0 301.737 1.779 10 0 DDAERO COCCN(Cc1[nH+]c(NN)ccc1Cl)[C@H](C)COC ZINC000061638483 184179900 /nfs/dbraw/zinc/17/99/00/184179900.db2.gz MCLFFTUWFPXYHT-SNVBAGLBSA-N 1 0 302.806 1.504 10 0 DDAERO CC[C@H](Oc1c(Cl)cc(C[C@@H](C)[NH3+])cc1OC)C(N)=O ZINC000061678327 184181744 /nfs/dbraw/zinc/18/17/44/184181744.db2.gz KTSMUQGTZGVLNF-KCJUWKMLSA-N 1 0 300.786 1.881 10 0 DDAERO COc1ccc(S(=O)(=O)N(C)c2cccc(C[NH3+])c2)cc1 ZINC000061950484 184198367 /nfs/dbraw/zinc/19/83/67/184198367.db2.gz KPCLIWUWWHGDJD-UHFFFAOYSA-N 1 0 306.387 1.979 10 0 DDAERO C[C@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000061950916 184198415 /nfs/dbraw/zinc/19/84/15/184198415.db2.gz UDMJXFXYAMTIRE-SRVKXCTJSA-N 1 0 307.360 1.456 10 0 DDAERO CCC[NH2+][C@H]1CCCC[C@@H]1CN1CCN(S(C)(=O)=O)CC1 ZINC000062096403 184205811 /nfs/dbraw/zinc/20/58/11/184205811.db2.gz IWZORHFNPFTHBL-CABCVRRESA-N 1 0 317.499 1.122 10 0 DDAERO CCN(CC)C(=O)N1CCN(C(=O)CC[NH+](CC)CC)CC1 ZINC000062127290 184207331 /nfs/dbraw/zinc/20/73/31/184207331.db2.gz FVXXMJOAHMFKQP-UHFFFAOYSA-N 1 0 312.458 1.324 10 0 DDAERO CCCn1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C[NH3+])nc1C ZINC000061884147 184192090 /nfs/dbraw/zinc/19/20/90/184192090.db2.gz BNTCMMXBWXUSHC-VXGBXAGGSA-N 1 0 300.428 1.007 10 0 DDAERO CCCn1ccnc1C[NH2+]C1CCN(S(=O)(=O)CC)CC1 ZINC000061877520 184192137 /nfs/dbraw/zinc/19/21/37/184192137.db2.gz JYYXFZNSCWHBRU-UHFFFAOYSA-N 1 0 314.455 1.197 10 0 DDAERO COCCN1C(=O)C[C@@H]([NH3+])[C@H]1c1ccc(Br)o1 ZINC000062210349 184220895 /nfs/dbraw/zinc/22/08/95/184220895.db2.gz LYERCOZAKLOGBJ-HQJQHLMTSA-N 1 0 303.156 1.289 10 0 DDAERO CCCN[C@H](CC[N@H+](C)C[C@@H]1CCCCO1)C(=O)OCC ZINC000062457169 184237452 /nfs/dbraw/zinc/23/74/52/184237452.db2.gz JBNHKDGTCCTUHX-LSDHHAIUSA-N 1 0 300.443 1.809 10 0 DDAERO COCC[NH2+]Cc1cc(Cl)c(OC[C@@H](C)O)c(OC)c1 ZINC000062727880 184250746 /nfs/dbraw/zinc/25/07/46/184250746.db2.gz YBTHIAZFZLYJMP-SNVBAGLBSA-N 1 0 303.786 1.844 10 0 DDAERO CCC1(C(=O)N2CCN(c3nccs3)CC2)CC[NH2+]CC1 ZINC000062847686 184256545 /nfs/dbraw/zinc/25/65/45/184256545.db2.gz TUYNDSXKSJZLHV-UHFFFAOYSA-N 1 0 308.451 1.572 10 0 DDAERO O=S1(=O)CC[C@@H](NC2=[NH+][C@H](Cc3ccccc3)CS2)C1 ZINC000063220198 184279476 /nfs/dbraw/zinc/27/94/76/184279476.db2.gz BRRHDUJSDPZSPJ-CHWSQXEVSA-N 1 0 310.444 1.477 10 0 DDAERO Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CC[C@H](N3CCOCC3)C2)s1 ZINC000062977897 184264540 /nfs/dbraw/zinc/26/45/40/184264540.db2.gz YYSONKKUZANPPT-IJEWVQPXSA-N 1 0 309.479 1.851 10 0 DDAERO O=S1(=O)CC[C@@H](CNC2=[NH+][C@H](c3ccccc3)CS2)C1 ZINC000063002917 184265632 /nfs/dbraw/zinc/26/56/32/184265632.db2.gz HHPIDOBIFPUSRF-AAEUAGOBSA-N 1 0 310.444 1.855 10 0 DDAERO COc1ccc(C[C@H](C)[NH3+])c(OCCCS(C)(=O)=O)c1 ZINC000063017576 184267324 /nfs/dbraw/zinc/26/73/24/184267324.db2.gz PYDRIMZCXZFFLA-NSHDSACASA-N 1 0 301.408 1.398 10 0 DDAERO Cc1cc(C(=O)NC2(C(N)=S)CC[NH+](C)CC2)ccc1F ZINC000063056570 184268765 /nfs/dbraw/zinc/26/87/65/184268765.db2.gz DNLZGSDZVSBKBC-UHFFFAOYSA-N 1 0 309.410 1.614 10 0 DDAERO O=C(NCCc1nccs1)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000063135078 184272714 /nfs/dbraw/zinc/27/27/14/184272714.db2.gz CBGWEHIQAYKCSW-CYBMUJFWSA-N 1 0 308.451 1.018 10 0 DDAERO CCn1cc(Br)cc1C(=O)N[C@H]1CCC[C@H]1[NH3+] ZINC000063172535 184276201 /nfs/dbraw/zinc/27/62/01/184276201.db2.gz VXMHZLYDXVRNGP-ZJUUUORDSA-N 1 0 300.200 1.880 10 0 DDAERO COc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCC[C@@H]1[NH3+] ZINC000063175062 184276278 /nfs/dbraw/zinc/27/62/78/184276278.db2.gz AUIQOBRNDAUCQX-VHSXEESVSA-N 1 0 304.799 1.507 10 0 DDAERO [NH3+][C@H]1CCC[C@H]1NS(=O)(=O)c1ccccc1OC(F)(F)F 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C[C@@H]1C[NH2+]C[C@H](c2nc(-c3cn(C)nc3C(F)(F)F)no2)O1 ZINC000854159337 704363686 /nfs/dbraw/zinc/36/36/86/704363686.db2.gz YGFUJFJUSHGVNB-HTRCEHHLSA-N 1 0 317.271 1.538 10 0 DDAERO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1ccc2[nH]cnc2c1F ZINC000897834887 708466121 /nfs/dbraw/zinc/46/61/21/708466121.db2.gz OVQUVJTWTMEBGM-ZWNOBZJWSA-N 1 0 320.368 1.229 10 0 DDAERO COc1cccc(C[NH2+]C[C@H]2C[C@@H](c3n[nH]c(C)n3)C[C@H]2O)c1 ZINC000888076236 709209129 /nfs/dbraw/zinc/20/91/29/709209129.db2.gz MALFVERDUAHZCU-IIAWOOMASA-N 1 0 316.405 1.766 10 0 DDAERO Cc1cnc(C[NH2+][C@@H]2CCCC[C@@H]2Cc2nn(C)c(=O)n2C)o1 ZINC000888098306 709213075 /nfs/dbraw/zinc/21/30/75/709213075.db2.gz FOOOALUTUGMWCC-CHWSQXEVSA-N 1 0 319.409 1.306 10 0 DDAERO O=S(=O)(c1c[nH]cn1)N1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000081767936 192321341 /nfs/dbraw/zinc/32/13/41/192321341.db2.gz VCLNWXBCTAUOJI-ZDUSSCGKSA-N 1 0 312.439 1.343 10 0 DDAERO CCC[NH2+][C@@H]1CCOC[C@@H]1Sc1nnc(N(C)C)s1 ZINC000081769518 192322338 /nfs/dbraw/zinc/32/23/38/192322338.db2.gz PFSZRMUCPXIJMH-ZJUUUORDSA-N 1 0 302.469 1.853 10 0 DDAERO C[C@H](C(=O)N(C)C)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248646878 282096073 /nfs/dbraw/zinc/09/60/73/282096073.db2.gz HXDCVDMRVHZGGQ-ZBFHGGJFSA-N 1 0 304.438 1.312 10 0 DDAERO CCCNC(=O)[C@@H](C)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248648481 282096318 /nfs/dbraw/zinc/09/63/18/282096318.db2.gz JTJXFVRYONHKAA-WBVHZDCISA-N 1 0 318.465 1.750 10 0 DDAERO CCC[NH2+][C@@H]1CCC2(C[C@@H]1SCC(=O)OC)OCCO2 ZINC000081792988 192324950 /nfs/dbraw/zinc/32/49/50/192324950.db2.gz QISLADPADDQIHX-NEPJUHHUSA-N 1 0 303.424 1.556 10 0 DDAERO CC[NH2+][C@H]1CCC2(C[C@@H]1Sc1nncs1)OCCO2 ZINC000081869345 192333161 /nfs/dbraw/zinc/33/31/61/192333161.db2.gz KIRUNRQALLDMKI-UWVGGRQHSA-N 1 0 301.437 1.904 10 0 DDAERO CCC[NH2+][C@H]1CCOC[C@@H]1S(=O)(=O)c1ccccc1F ZINC000081922977 192340240 /nfs/dbraw/zinc/34/02/40/192340240.db2.gz VJOUTJODBPONRK-JSGCOSHPSA-N 1 0 301.383 1.757 10 0 DDAERO C[NH+](C)C[C@@H]1CN(CCOCC(F)(F)C(F)(F)F)CCO1 ZINC000189222305 282127844 /nfs/dbraw/zinc/12/78/44/282127844.db2.gz PIEKLYCYRDVGDH-SNVBAGLBSA-N 1 0 320.302 1.463 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccncc2C(F)(F)F)CCO1 ZINC000193089315 282139754 /nfs/dbraw/zinc/13/97/54/282139754.db2.gz DBIIQIOMTAWHJI-JTQLQIEISA-N 1 0 317.311 1.503 10 0 DDAERO CC[NH2+][C@H](CS(=O)(=O)CCOC)c1cc(C)ccc1OC ZINC000081943485 192344526 /nfs/dbraw/zinc/34/45/26/192344526.db2.gz ADNNEKWPHDNRMO-CQSZACIVSA-N 1 0 315.435 1.715 10 0 DDAERO CN([C@@H]1CCC[NH2+]C1)S(=O)(=O)Cc1ccccc1Cl ZINC000082348588 185176712 /nfs/dbraw/zinc/17/67/12/185176712.db2.gz UZBDIILEGTWDLO-GFCCVEGCSA-N 1 0 302.827 1.854 10 0 DDAERO O=S(=O)(C[C@@H]1CCC[NH2+]1)c1ccccc1Br ZINC000083252342 185221449 /nfs/dbraw/zinc/22/14/49/185221449.db2.gz KWEAMEXNXCJLKH-VIFPVBQESA-N 1 0 304.209 1.975 10 0 DDAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@@](C)(O)c1ccco1 ZINC000173675914 282182058 /nfs/dbraw/zinc/18/20/58/282182058.db2.gz MMCAUZWBKDZAOD-MAUKXSAKSA-N 1 0 316.401 1.776 10 0 DDAERO CC[C@H](CC[NH3+])CNc1ncncc1I ZINC000087374369 185223055 /nfs/dbraw/zinc/22/30/55/185223055.db2.gz XUAAPSBXQWBVEU-MRVPVSSYSA-N 1 0 320.178 1.868 10 0 DDAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccccc1S(=O)(=O)NCC ZINC000087519468 185227358 /nfs/dbraw/zinc/22/73/58/185227358.db2.gz YKZGUWFJDWUOFN-NSHDSACASA-N 1 0 313.423 1.298 10 0 DDAERO CC[C@@H](C[NH3+])C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 ZINC000087522270 185227581 /nfs/dbraw/zinc/22/75/81/185227581.db2.gz YWNXYVHCXXPLLF-QMMMGPOBSA-N 1 0 303.359 1.121 10 0 DDAERO CCC(CC)N1C[C@@H](C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)CC1=O ZINC000262031419 282188618 /nfs/dbraw/zinc/18/86/18/282188618.db2.gz PLGZBFWBGAKNBN-GXTWGEPZSA-N 1 0 309.454 1.609 10 0 DDAERO CC(C)([NH3+])C(C)(C)C(=O)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000087627654 185229480 /nfs/dbraw/zinc/22/94/80/185229480.db2.gz AIKFEBAOZDJZDL-UHFFFAOYSA-N 1 0 313.423 1.760 10 0 DDAERO Cc1nnc(SCc2noc(-c3ccco3)n2)n1CC[NH3+] ZINC000087711485 185231043 /nfs/dbraw/zinc/23/10/43/185231043.db2.gz HTANHQJSVZLXSC-UHFFFAOYSA-N 1 0 306.351 1.481 10 0 DDAERO CCC[NH2+][C@H]1CCCc2sc(N3CCCNC(=O)C3)nc21 ZINC000087885552 185234478 /nfs/dbraw/zinc/23/44/78/185234478.db2.gz PCBZPSOYGJDPRG-NSHDSACASA-N 1 0 308.451 1.846 10 0 DDAERO C[C@@](CN)(CCc1ccc(OC(F)F)cc1)[NH2+]CCCO ZINC000087929858 185237523 /nfs/dbraw/zinc/23/75/23/185237523.db2.gz QVPAMMPJZDZUDY-HNNXBMFYSA-N 1 0 302.365 1.910 10 0 DDAERO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3nc(N)sc3c2)C1 ZINC000087847538 185233465 /nfs/dbraw/zinc/23/34/65/185233465.db2.gz BQMZITRBXMZQFA-JTQLQIEISA-N 1 0 304.419 1.950 10 0 DDAERO C[C@H]1CN(c2nc(NN)[nH+]cc2Br)C[C@H](C)S1 ZINC000087879409 185234359 /nfs/dbraw/zinc/23/43/59/185234359.db2.gz QLEWGNFRKJOVEI-BQBZGAKWSA-N 1 0 318.244 1.855 10 0 DDAERO CC[NH2+][C@H](c1ccccc1)[C@@H](CC)S(=O)(=O)CC(=O)OC ZINC000081975530 192347972 /nfs/dbraw/zinc/34/79/72/192347972.db2.gz GGLMZGXXVHUMOF-UKRRQHHQSA-N 1 0 313.419 1.704 10 0 DDAERO C[N@@H+]1CCCC[C@@H]1COc1nc(Cl)nc(-n2ccnc2)n1 ZINC000088165555 185241013 /nfs/dbraw/zinc/24/10/13/185241013.db2.gz QEUNADZMMUVQEM-SNVBAGLBSA-N 1 0 308.773 1.574 10 0 DDAERO C[C@H]([NH2+]CC(=O)N1CCN(Cc2ccco2)CC1)[C@@H]1CCCO1 ZINC000183116529 539240912 /nfs/dbraw/zinc/24/09/12/539240912.db2.gz OYUBAPGHJDNYGV-HOCLYGCPSA-N 1 0 321.421 1.081 10 0 DDAERO CCCCc1nnc(NC(=O)C[NH2+][C@H](C)[C@H]2CCCO2)s1 ZINC000183146026 539241167 /nfs/dbraw/zinc/24/11/67/539241167.db2.gz XEXXKFWJUWYITH-GHMZBOCLSA-N 1 0 312.439 1.976 10 0 DDAERO CCN(CCOC)S(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088544296 185256954 /nfs/dbraw/zinc/25/69/54/185256954.db2.gz CFFOMTHKKDBZDR-UHFFFAOYSA-N 1 0 304.412 1.435 10 0 DDAERO CC(C)OCCC[NH2+]Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000088540004 185255953 /nfs/dbraw/zinc/25/59/53/185255953.db2.gz VIPCIJCYJXPQOD-UHFFFAOYSA-N 1 0 304.412 1.435 10 0 DDAERO COCC[N@H+](C)CCNC(=O)c1sc2ccccc2c1N ZINC000088638575 185260423 /nfs/dbraw/zinc/26/04/23/185260423.db2.gz DZSJSMJGNUJQLK-UHFFFAOYSA-N 1 0 307.419 1.792 10 0 DDAERO CC[NH2+]C[C@H](Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000088790143 185265911 /nfs/dbraw/zinc/26/59/11/185265911.db2.gz FFYNGQYCOKDKLT-STQMWFEESA-N 1 0 316.854 1.938 10 0 DDAERO CC(C)(C)OC(=O)N1CCC([NH2+][C@@H]2C=CS(=O)(=O)C2)CC1 ZINC000088854799 185267111 /nfs/dbraw/zinc/26/71/11/185267111.db2.gz YTGHXHOFITTZST-GFCCVEGCSA-N 1 0 316.423 1.286 10 0 DDAERO COC1(CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CCOCC1 ZINC000246583062 539270447 /nfs/dbraw/zinc/27/04/47/539270447.db2.gz ZNSUDQCEEQSXRE-ZIAGYGMSSA-N 1 0 313.442 1.210 10 0 DDAERO CC[NH2+][C@H]1c2ccccc2C[C@@H]1S(=O)(=O)C1CCOCC1 ZINC000081990538 192350473 /nfs/dbraw/zinc/35/04/73/192350473.db2.gz RZSNICJVIHPTFG-HOTGVXAUSA-N 1 0 309.431 1.856 10 0 DDAERO CCCc1ccc([C@H]([NH3+])C[S@@](=O)CCS(C)(=O)=O)cc1 ZINC000081992359 192351774 /nfs/dbraw/zinc/35/17/74/192351774.db2.gz SQTDBCDPEPJTJF-AUUYWEPGSA-N 1 0 317.476 1.432 10 0 DDAERO COCCC[S@@](=O)C[C@H]([NH3+])c1cc(OC)ccc1OC ZINC000081998899 192353027 /nfs/dbraw/zinc/35/30/27/192353027.db2.gz XYVCOJVSRYMLEV-RBZFPXEDSA-N 1 0 301.408 1.489 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000090313411 185290756 /nfs/dbraw/zinc/29/07/56/185290756.db2.gz ARJDBPJUIBHGLE-UTUOFQBUSA-N 1 0 320.361 1.600 10 0 DDAERO O=S(=O)(c1cc(Cl)ccc1Cl)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090322014 185290827 /nfs/dbraw/zinc/29/08/27/185290827.db2.gz IUWOWPYINMWEQE-RKDXNWHRSA-N 1 0 321.229 1.833 10 0 DDAERO O=C(Cc1cccc(Br)c1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090320807 185290883 /nfs/dbraw/zinc/29/08/83/185290883.db2.gz XDEPVWINWHFTPB-VXGBXAGGSA-N 1 0 309.207 1.669 10 0 DDAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(Br)cn1 ZINC000090488338 185298946 /nfs/dbraw/zinc/29/89/46/185298946.db2.gz WUCJDBBERUQMCE-VHSXEESVSA-N 1 0 314.183 1.407 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1C(=O)NCc1cc(Br)cs1 ZINC000090438061 185296531 /nfs/dbraw/zinc/29/65/31/185296531.db2.gz GRSPSCMKUYNSSY-UWVGGRQHSA-N 1 0 319.224 1.361 10 0 DDAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H]1COC[C@@H]1[NH2+]C ZINC000090437821 185296649 /nfs/dbraw/zinc/29/66/49/185296649.db2.gz GJAGUEOWESQCED-MNOVXSKESA-N 1 0 312.391 1.406 10 0 DDAERO CN(CCOc1ccccc1Cl)C(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090591050 185305347 /nfs/dbraw/zinc/30/53/47/185305347.db2.gz IPFVXZGRNHYKRO-DZGCQCFKSA-N 1 0 312.797 1.541 10 0 DDAERO CN(Cc1nc2ccccc2s1)C(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000090590899 185305585 /nfs/dbraw/zinc/30/55/85/185305585.db2.gz PISAWICCRIRUNX-DOMZBBRYSA-N 1 0 305.403 1.619 10 0 DDAERO C[C@]1(C(=O)Nc2ccc(Br)cn2)COC[C@@H]1[NH3+] ZINC000090582108 185304767 /nfs/dbraw/zinc/30/47/67/185304767.db2.gz ABCLGAUVFNRGDY-KWQFWETISA-N 1 0 300.156 1.146 10 0 DDAERO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@@H](C)C[NH2+]C1CC1 ZINC000092320372 185312163 /nfs/dbraw/zinc/31/21/63/185312163.db2.gz ANVSBLAELCUQLX-IINYFYTJSA-N 1 0 311.451 1.715 10 0 DDAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@@H](SCCS(C)(=O)=O)CC2 ZINC000092389250 185315544 /nfs/dbraw/zinc/31/55/44/185315544.db2.gz KXPLXSDSVHNTIT-UONOGXRCSA-N 1 0 315.460 1.788 10 0 DDAERO CC(C)[C@H](CO)[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000092392003 185315616 /nfs/dbraw/zinc/31/56/16/185315616.db2.gz QFDOZEMZMRPVTD-DOMZBBRYSA-N 1 0 314.451 1.604 10 0 DDAERO CCC[C@H](C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1)[NH+](C)C ZINC000092698366 185333752 /nfs/dbraw/zinc/33/37/52/185333752.db2.gz JDCURENHMUBNLA-CQSZACIVSA-N 1 0 317.393 1.240 10 0 DDAERO O=C(Nc1ccccc1Br)c1cn(C2C[NH2+]C2)nn1 ZINC000092700159 185333901 /nfs/dbraw/zinc/33/39/01/185333901.db2.gz PTZLCPISQBPJOQ-UHFFFAOYSA-N 1 0 322.166 1.437 10 0 DDAERO CCC(CC)[C@H](C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])N1CCOCC1 ZINC000157879554 282256096 /nfs/dbraw/zinc/25/60/96/282256096.db2.gz FHDIHQSNSMKWBK-BZUAXINKSA-N 1 0 311.470 1.367 10 0 DDAERO COc1ccc(S(=O)(=O)NC2C(C)(C)C2(C)C)cc1C[NH3+] ZINC000092833208 185344964 /nfs/dbraw/zinc/34/49/64/185344964.db2.gz NVHRPGJVAONFSL-UHFFFAOYSA-N 1 0 312.435 1.867 10 0 DDAERO CCC[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cn(CC)cn1 ZINC000092910943 185348451 /nfs/dbraw/zinc/34/84/51/185348451.db2.gz GIFQKTGQVPNYHA-CYBMUJFWSA-N 1 0 314.455 1.446 10 0 DDAERO C[NH2+][C@H]1c2cc(OC)ccc2C[C@H]1Sc1n[nH]c(=O)n1C ZINC000092911751 185348637 /nfs/dbraw/zinc/34/86/37/185348637.db2.gz HXXXHAXFIUGMBT-NEPJUHHUSA-N 1 0 306.391 1.095 10 0 DDAERO Cc1cc(NC(=O)[C@H]2CC[NH2+][C@H]2C)ccc1NS(C)(=O)=O ZINC000092952742 185350421 /nfs/dbraw/zinc/35/04/21/185350421.db2.gz XDNXEDDBOORIHI-JQWIXIFHSA-N 1 0 311.407 1.303 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H](CO)c2ccccc2)C1 ZINC000181493679 199305985 /nfs/dbraw/zinc/30/59/85/199305985.db2.gz YKIWCVRGNCXJHC-VNQPRFMTSA-N 1 0 305.422 1.748 10 0 DDAERO Cc1nsc(N2CCN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)CC2)n1 ZINC000178820204 282433504 /nfs/dbraw/zinc/43/35/04/282433504.db2.gz HIUCIRCTKOCADV-NWDGAFQWSA-N 1 0 309.439 1.013 10 0 DDAERO CC[NH2+][C@H](C)[C@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 ZINC000111713649 185628749 /nfs/dbraw/zinc/62/87/49/185628749.db2.gz ISIVUVIJKKOHEO-KGLIPLIRSA-N 1 0 303.472 1.427 10 0 DDAERO CC(C)C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cn[nH]c1 ZINC000111721192 185631328 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/nfs/dbraw/zinc/37/44/88/202374488.db2.gz KFZFXYSDNVIBPY-HOTGVXAUSA-N 1 0 303.406 1.585 10 0 DDAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)C1 ZINC000237890877 202380370 /nfs/dbraw/zinc/38/03/70/202380370.db2.gz VBSSNPAPCGSQCG-RRFJBIMHSA-N 1 0 307.438 1.269 10 0 DDAERO C[C@@H]([NH3+])CCNC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000178642336 296019531 /nfs/dbraw/zinc/01/95/31/296019531.db2.gz YZMYQDZQDFMEMP-RKDXNWHRSA-N 1 0 311.304 1.003 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(F)cn2)C1 ZINC000193536467 201070397 /nfs/dbraw/zinc/07/03/97/201070397.db2.gz KDUDQWFYDUEFMV-PWSUYJOCSA-N 1 0 308.357 1.004 10 0 DDAERO CC(C)Oc1ccc(S(=O)(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000193464071 201057131 /nfs/dbraw/zinc/05/71/31/201057131.db2.gz LUCFLHYXCKSLFF-DOMZBBRYSA-N 1 0 312.435 1.893 10 0 DDAERO CCn1c2ccccc2n(CC(=O)N[C@@H]2CCC[NH2+][C@H]2C)c1=O ZINC000193582894 201079807 /nfs/dbraw/zinc/07/98/07/201079807.db2.gz AGRSVGQLMNBNNZ-QWHCGFSZSA-N 1 0 316.405 1.080 10 0 DDAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)NCc1nc2ccccc2s1 ZINC000090491260 192923191 /nfs/dbraw/zinc/92/31/91/192923191.db2.gz JUYSMRMBUHNXPC-ZYHUDNBSSA-N 1 0 305.403 1.537 10 0 DDAERO Cc1ncn(CC[C@H]2CCC[NH2+]C2)c(=O)c1Br ZINC000090766459 192930252 /nfs/dbraw/zinc/93/02/52/192930252.db2.gz RAMXFHUBQKRKND-SNVBAGLBSA-N 1 0 300.200 1.704 10 0 DDAERO CNC(=O)CC[NH2+]C[C@@H]1Cc2cc(Br)ccc2O1 ZINC000090904411 192942589 /nfs/dbraw/zinc/94/25/89/192942589.db2.gz ATQJRMBNVGXUEK-NSHDSACASA-N 1 0 313.195 1.478 10 0 DDAERO C[C@H](CCC[C@H](C)[NH3+])C(=O)N1CCSC[C@@H]1S(C)(=O)=O ZINC000090924971 192949003 /nfs/dbraw/zinc/94/90/03/192949003.db2.gz VITDHKGPIYXYDL-WOPDTQHZSA-N 1 0 322.496 1.086 10 0 DDAERO C[NH2+]Cc1cccc(CN2CCSC[C@@H]2S(C)(=O)=O)c1 ZINC000090924057 192948116 /nfs/dbraw/zinc/94/81/16/192948116.db2.gz XGFVNIVPBFLXCC-AWEZNQCLSA-N 1 0 314.476 1.326 10 0 DDAERO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000246697890 202610145 /nfs/dbraw/zinc/61/01/45/202610145.db2.gz VZSOFKFGQADLCO-MRVWCRGKSA-N 1 0 324.446 1.737 10 0 DDAERO CCN(CC)c1nc(Cl)nc(N2CCC[C@H]([NH+](C)C)C2)n1 ZINC000091450309 193058077 /nfs/dbraw/zinc/05/80/77/193058077.db2.gz SKBTWYKJRRQQJF-NSHDSACASA-N 1 0 312.849 1.902 10 0 DDAERO C[NH+](C)[C@H]1CCCN(C(=O)[C@H](C(N)=S)c2ccccc2)C1 ZINC000091395079 193050388 /nfs/dbraw/zinc/05/03/88/193050388.db2.gz MFYQPFZYJIPBLJ-KBPBESRZSA-N 1 0 305.447 1.609 10 0 DDAERO Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[NH2+][C@@H](C)CN1 ZINC000091480303 193062198 /nfs/dbraw/zinc/06/21/98/193062198.db2.gz PJWSLSBTGGTMDF-JOYOIKCWSA-N 1 0 301.312 1.902 10 0 DDAERO CCc1nn(C)c(C[C@H](O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1Cl ZINC000091715500 193096825 /nfs/dbraw/zinc/09/68/25/193096825.db2.gz WGTYKTHWVPGRHY-DDTOSNHZSA-N 1 0 313.829 1.403 10 0 DDAERO [NH3+]C[C@]1([C@@H](O)c2ccc(F)c(Br)c2)CCOC1 ZINC000091911781 193124950 /nfs/dbraw/zinc/12/49/50/193124950.db2.gz XWYLRUHWEKTYAP-NWDGAFQWSA-N 1 0 304.159 1.987 10 0 DDAERO CC[NH2+]Cc1nc(C)ccc1OCC(=O)NCC(F)(F)F ZINC000091994726 193138840 /nfs/dbraw/zinc/13/88/40/193138840.db2.gz REGXOJLHFOFAIF-UHFFFAOYSA-N 1 0 305.300 1.557 10 0 DDAERO CC(C)[NH2+]Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)cn1C ZINC000092113720 193161267 /nfs/dbraw/zinc/16/12/67/193161267.db2.gz XGFFKYAZNADCKO-CHWSQXEVSA-N 1 0 313.467 1.800 10 0 DDAERO CC[C@H]1COCCN1S(=O)(=O)c1ccc(C[NH2+]C)cc1F ZINC000092115723 193163256 /nfs/dbraw/zinc/16/32/56/193163256.db2.gz VMGKMEQSLPPSPY-LBPRGKRZSA-N 1 0 316.398 1.345 10 0 DDAERO CC[C@H]1COCCN1S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115725 193163346 /nfs/dbraw/zinc/16/33/46/193163346.db2.gz NWODLDPNZORECQ-NSHDSACASA-N 1 0 302.371 1.084 10 0 DDAERO C[C@H]1CN(S(=O)(=O)c2ccc(C[NH3+])cc2F)CCCO1 ZINC000092116133 193163835 /nfs/dbraw/zinc/16/38/35/193163835.db2.gz AVPFQCXAOQNYRK-JTQLQIEISA-N 1 0 302.371 1.084 10 0 DDAERO C[C@@H](C(=O)Nc1ccccc1C(N)=S)[N@H+](C)CC(C)(C)O ZINC000092966976 193189713 /nfs/dbraw/zinc/18/97/13/193189713.db2.gz FCKZTVZSOBNRHZ-JTQLQIEISA-N 1 0 309.435 1.351 10 0 DDAERO CCN(CC(C)(C)O)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000092971616 193190260 /nfs/dbraw/zinc/19/02/60/193190260.db2.gz BMAKKEBNEUHJTO-UHFFFAOYSA-N 1 0 300.424 1.068 10 0 DDAERO COCC[NH2+]C[C@@H](c1ccccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000093105697 193204824 /nfs/dbraw/zinc/20/48/24/193204824.db2.gz GJLMNBRTHIYJRV-GOEBONIOSA-N 1 0 311.447 1.749 10 0 DDAERO COCC[NH2+]C[C@H](c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000093148047 193207760 /nfs/dbraw/zinc/20/77/60/193207760.db2.gz CTCXRFNFYALXND-UKRRQHHQSA-N 1 0 315.410 1.580 10 0 DDAERO COCC[NH2+]C[C@@H](c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000093138011 193206688 /nfs/dbraw/zinc/20/66/88/193206688.db2.gz LHQSSEAXQUWDID-HOTGVXAUSA-N 1 0 311.447 1.749 10 0 DDAERO COc1ccc(F)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)c1 ZINC000262229121 203235669 /nfs/dbraw/zinc/23/56/69/203235669.db2.gz KCUBSAXSFBVDSE-OLZOCXBDSA-N 1 0 318.352 1.510 10 0 DDAERO Cc1ccc(C(=O)Nc2nc(C3CC[NH2+]CC3)nn2C)cc1F ZINC000262403623 203284346 /nfs/dbraw/zinc/28/43/46/203284346.db2.gz OJZAGFSSKKQERC-UHFFFAOYSA-N 1 0 317.368 1.982 10 0 DDAERO Cn1ncc2c1nc(C[N@H+](C)CCc1cccs1)nc2N ZINC000093269905 193222895 /nfs/dbraw/zinc/22/28/95/193222895.db2.gz ROSFFFPCDUFQNI-UHFFFAOYSA-N 1 0 302.407 1.682 10 0 DDAERO [NH2+]=C1NC[C@@]2(CCCS(=O)(=O)C2)N1c1cccc(Cl)c1 ZINC000093378813 193240648 /nfs/dbraw/zinc/24/06/48/193240648.db2.gz FTSYRTOOSCJQSW-CYBMUJFWSA-N 1 0 313.810 1.422 10 0 DDAERO CS(=O)(=O)[C@H]1CCC[C@]12CNC(=[NH2+])N2c1ccc(F)cc1 ZINC000093379440 193241054 /nfs/dbraw/zinc/24/10/54/193241054.db2.gz KPHVHRYXPVFUFD-JSGCOSHPSA-N 1 0 311.382 1.296 10 0 DDAERO CC(C)OC(=O)[C@H](C)N(C)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262704819 203388066 /nfs/dbraw/zinc/38/80/66/203388066.db2.gz CYTOCFWABSUBKB-QWHCGFSZSA-N 1 0 322.409 1.220 10 0 DDAERO CCC[NH2+][C@]1(C(=O)[O-])CCC[C@H]1CC[N@H+](C)CCCOC ZINC000093593590 193271484 /nfs/dbraw/zinc/27/14/84/193271484.db2.gz OPAFKRKIRKWIMR-GOEBONIOSA-N 1 0 300.443 1.968 10 0 DDAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@H]1CCOCCOCCC ZINC000093625885 193276695 /nfs/dbraw/zinc/27/66/95/193276695.db2.gz DQORORHBBRVDBP-GOEBONIOSA-N 1 0 300.443 1.844 10 0 DDAERO CC(C)[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCSc1nncn1C ZINC000093629236 193276736 /nfs/dbraw/zinc/27/67/36/193276736.db2.gz HSDFRAIFNBQUNT-BXUZGUMPSA-N 1 0 311.455 1.320 10 0 DDAERO CC(C)[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCSc1cnccn1 ZINC000093630840 193277302 /nfs/dbraw/zinc/27/73/02/193277302.db2.gz OVOXHHJFTDLMOU-IUODEOHRSA-N 1 0 308.451 1.981 10 0 DDAERO CC(C)[NH2+]Cc1nccn1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093698521 193292585 /nfs/dbraw/zinc/29/25/85/193292585.db2.gz BHZGGLXCECNUEV-ZDUSSCGKSA-N 1 0 314.455 1.053 10 0 DDAERO CC(C)([C@@H](O)C[C@H]1CCCN(S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC000093699736 193293196 /nfs/dbraw/zinc/29/31/96/193293196.db2.gz IRNSNBMLUOHQPI-KGLIPLIRSA-N 1 0 318.483 1.283 10 0 DDAERO CCCSC[C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)[NH2+]C ZINC000093700440 193293882 /nfs/dbraw/zinc/29/38/82/193293882.db2.gz JABFALBYROPOTB-OLZOCXBDSA-N 1 0 308.513 1.779 10 0 DDAERO C[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)CC(F)(F)F ZINC000093700077 193294326 /nfs/dbraw/zinc/29/43/26/193294326.db2.gz VIRCFMBEVRPWSW-ZJUUUORDSA-N 1 0 302.362 1.589 10 0 DDAERO C[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCOCC1 ZINC000093700566 193294683 /nfs/dbraw/zinc/29/46/83/193294683.db2.gz PNUKPFALOOJEGZ-GXTWGEPZSA-N 1 0 304.456 1.063 10 0 DDAERO C[NH+](C)C1([C@H](N)C[C@@H]2CCCN(S(C)(=O)=O)C2)CCCC1 ZINC000093700735 193295038 /nfs/dbraw/zinc/29/50/38/193295038.db2.gz SJMMBFZPCYCQEZ-UONOGXRCSA-N 1 0 317.499 1.250 10 0 DDAERO CC[C@]1(C)CN(C[C@@H]2CCCN(S(C)(=O)=O)C2)CCC[NH2+]1 ZINC000093702649 193295677 /nfs/dbraw/zinc/29/56/77/193295677.db2.gz YPONMVCHRYZPMR-LSDHHAIUSA-N 1 0 317.499 1.122 10 0 DDAERO CN[C@]1(C(N)=O)CCC[C@@H]([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000093756697 193301856 /nfs/dbraw/zinc/30/18/56/193301856.db2.gz MRDVPRWHWRUFCH-DGCLKSJQSA-N 1 0 307.360 1.647 10 0 DDAERO CCN(CC(C)(C)C[NH3+])c1ccccc1S(=O)(=O)N(C)C ZINC000093892210 193324188 /nfs/dbraw/zinc/32/41/88/193324188.db2.gz ZVAWAEYYCGQJKU-UHFFFAOYSA-N 1 0 313.467 1.748 10 0 DDAERO CN(CC1CC[NH2+]CC1)S(=O)(=O)c1c(F)cc(F)cc1F ZINC000094023810 193339122 /nfs/dbraw/zinc/33/91/22/193339122.db2.gz ZFNNAGGGDANNFO-UHFFFAOYSA-N 1 0 322.352 1.724 10 0 DDAERO CCn1nc(C)c(Cl)c1C[C@H]([NH3+])[C@H]1CN(CC)CCO1 ZINC000093913897 193327724 /nfs/dbraw/zinc/32/77/24/193327724.db2.gz JIKIZHJSAYTREX-WCQYABFASA-N 1 0 300.834 1.455 10 0 DDAERO CCCN(CC1CC[NH2+]CC1)S(=O)(=O)c1c(C)noc1C ZINC000094024055 193339151 /nfs/dbraw/zinc/33/91/51/193339151.db2.gz HZMPUNCQAHYHMR-UHFFFAOYSA-N 1 0 315.439 1.692 10 0 DDAERO CCC[NH2+][C@H]1CCCCC[C@H]1CN(C)CCS(C)(=O)=O ZINC000094300376 193357629 /nfs/dbraw/zinc/35/76/29/193357629.db2.gz CRWUSZSKBFOAMQ-GJZGRUSLSA-N 1 0 304.500 1.911 10 0 DDAERO C[NH2+][C@@H](CN(C)CCS(C)(=O)=O)c1cc2ccccc2o1 ZINC000094298269 193358058 /nfs/dbraw/zinc/35/80/58/193358058.db2.gz ABPFWYBCYJOCIK-ZDUSSCGKSA-N 1 0 310.419 1.670 10 0 DDAERO CCC[NH2+][C@@H]1[C@@H](S(=O)(=O)CCC(=O)OC)CCC1(C)C ZINC000094311333 193358453 /nfs/dbraw/zinc/35/84/53/193358453.db2.gz XYIBANCAHCSWLG-WCQYABFASA-N 1 0 305.440 1.521 10 0 DDAERO CC[NH2+]Cc1cccc(OCCN(C)CCS(C)(=O)=O)c1 ZINC000094300848 193358824 /nfs/dbraw/zinc/35/88/24/193358824.db2.gz YMAYNZXKFBJHJL-UHFFFAOYSA-N 1 0 314.451 1.151 10 0 DDAERO Nc1c2ccc(C(F)(F)F)nc2sc1C(=O)NCCC[NH3+] ZINC000094338353 193361588 /nfs/dbraw/zinc/36/15/88/193361588.db2.gz MOZYMEUHMWDOQY-UHFFFAOYSA-N 1 0 318.324 1.976 10 0 DDAERO C[C@@H]1CN(C(=O)c2cc(Br)cn2C)CC[C@@H]1[NH3+] ZINC000094339431 193361799 /nfs/dbraw/zinc/36/17/99/193361799.db2.gz NLSGSSSKDFEKMS-SCZZXKLOSA-N 1 0 300.200 1.597 10 0 DDAERO C[C@@H]1CN(c2ccc(C(N)=O)c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000094342750 193362778 /nfs/dbraw/zinc/36/27/78/193362778.db2.gz BWZPWROJEYZPTM-PELKAZGASA-N 1 0 301.312 1.978 10 0 DDAERO C[C@H]([NH3+])Cc1cc(F)c(OC[C@H]2CN(C)CCO2)c(F)c1 ZINC000094350141 193363281 /nfs/dbraw/zinc/36/32/81/193363281.db2.gz WWLQTYVZTLKPOX-CMPLNLGQSA-N 1 0 300.349 1.564 10 0 DDAERO Cc1cc(N)c(C)c(S(=O)(=O)NCC[NH+]2CCCCC2)c1 ZINC000094358564 193364464 /nfs/dbraw/zinc/36/44/64/193364464.db2.gz MZRDHJQGWLQYGT-UHFFFAOYSA-N 1 0 311.451 1.650 10 0 DDAERO COCC[C@@H]([NH3+])C(=O)Nc1cc(C)c(Br)cn1 ZINC000094063574 193342622 /nfs/dbraw/zinc/34/26/22/193342622.db2.gz PDMGLTHKPNCENW-SECBINFHSA-N 1 0 302.172 1.455 10 0 DDAERO CCNS(=O)(=O)c1ccccc1NC(=O)C([NH3+])(CC)CC ZINC000094244069 193354616 /nfs/dbraw/zinc/35/46/16/193354616.db2.gz WXSKWFUYRGZHFG-UHFFFAOYSA-N 1 0 313.423 1.441 10 0 DDAERO CCC[NH2+][C@H](CCCS(C)(=O)=O)Cc1ccc(OC)nc1 ZINC000094633274 193385575 /nfs/dbraw/zinc/38/55/75/193385575.db2.gz STDDNJCCAXEWSY-CQSZACIVSA-N 1 0 314.451 1.826 10 0 DDAERO CC(C)[NH+]1CCC(O)([C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094639147 193388031 /nfs/dbraw/zinc/38/80/31/193388031.db2.gz PPOMHQUPDDHNEG-UONOGXRCSA-N 1 0 303.468 1.825 10 0 DDAERO CC[NH2+][C@@H]([C@@H]1CCC[C@H](S(C)(=O)=O)C1)[C@@H]1CCCOC1 ZINC000094642651 193388662 /nfs/dbraw/zinc/38/86/62/193388662.db2.gz HBQUSPHXRCODBY-KBXIAJHMSA-N 1 0 303.468 1.995 10 0 DDAERO Cc1nn(C)c(N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)c1C(N)=S ZINC000094447321 193370709 /nfs/dbraw/zinc/37/07/09/193370709.db2.gz CNFUNUXUZNXNGZ-CMPLNLGQSA-N 1 0 307.467 1.426 10 0 DDAERO [NH3+]Cc1cc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)cs1 ZINC000094445202 193371399 /nfs/dbraw/zinc/37/13/99/193371399.db2.gz MMJTXGAQBFAXFX-LLVKDONJSA-N 1 0 315.464 1.066 10 0 DDAERO COc1cc(C)c(N)cc1S(=O)(=O)N(C)CCC[NH+](C)C ZINC000094512450 193376840 /nfs/dbraw/zinc/37/68/40/193376840.db2.gz GLRNGZUACKSONL-UHFFFAOYSA-N 1 0 315.439 1.158 10 0 DDAERO C[C@@H]1C[C@@H]([NH3+])CN(c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000094553448 193379694 /nfs/dbraw/zinc/37/96/94/193379694.db2.gz UYIDLYPCEJOFEA-NXEZZACHSA-N 1 0 304.362 1.856 10 0 DDAERO CN(c1nc2ccc(Br)cn2n1)[C@H]1CCC[NH2+]C1 ZINC000094608199 193384638 /nfs/dbraw/zinc/38/46/38/193384638.db2.gz REZFXINKUNBLPO-JTQLQIEISA-N 1 0 310.199 1.680 10 0 DDAERO C[C@H]1CN(c2nc3c(Br)cccn3n2)CC[C@@H]1[NH3+] ZINC000094609311 193384722 /nfs/dbraw/zinc/38/47/22/193384722.db2.gz JSXSLSFTYYEGJY-WPRPVWTQSA-N 1 0 310.199 1.665 10 0 DDAERO CCc1ccsc1CNS(=O)(=O)C[C@H]1CCC[NH2+]C1 ZINC000094880579 193404103 /nfs/dbraw/zinc/40/41/03/193404103.db2.gz SWEGGQXMBALCLI-NSHDSACASA-N 1 0 302.465 1.730 10 0 DDAERO CC[NH2+]C[C@H](Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000094976295 193410711 /nfs/dbraw/zinc/41/07/11/193410711.db2.gz VEORKKIVWRQIKI-STQMWFEESA-N 1 0 316.492 1.963 10 0 DDAERO [NH3+][C@H]1CCCCC[C@@H]1C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000094752620 193395809 /nfs/dbraw/zinc/39/58/09/193395809.db2.gz SMERGALOFQXQRL-RYUDHWBXSA-N 1 0 307.360 1.601 10 0 DDAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](C)c2cccnc2)CC1 ZINC000176452932 296181269 /nfs/dbraw/zinc/18/12/69/296181269.db2.gz NYHDFXQQQNQKNI-HUUCEWRRSA-N 1 0 319.449 1.736 10 0 DDAERO CC[NH2+]C[C@](C)(O)Cc1c(Br)c(C)nn1CC ZINC000097210036 193692034 /nfs/dbraw/zinc/69/20/34/193692034.db2.gz WJGVREIVZOHRSN-GFCCVEGCSA-N 1 0 304.232 1.877 10 0 DDAERO CC(C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000016518538 182048470 /nfs/dbraw/zinc/04/84/70/182048470.db2.gz YLFOZQQSOLBZCN-QWRGUYRKSA-N 1 0 313.423 1.295 10 0 DDAERO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C(N)=S)cc2)CCO1 ZINC000020008844 182177106 /nfs/dbraw/zinc/17/71/06/182177106.db2.gz HFYAYBGHZVXFPV-NSHDSACASA-N 1 0 307.419 1.370 10 0 DDAERO NS(=O)(=O)c1cccc(NC(=O)c2ccc(C[NH3+])cc2)c1 ZINC000020544572 182229190 /nfs/dbraw/zinc/22/91/90/182229190.db2.gz FBGIEBUXNSQXIQ-UHFFFAOYSA-N 1 0 305.359 1.045 10 0 DDAERO CC[NH+]1CCN(CCC(=O)Nc2ccc(Cl)cc2N)CC1 ZINC000021787288 182288987 /nfs/dbraw/zinc/28/89/87/182288987.db2.gz FSJZLQWSTAMITP-UHFFFAOYSA-N 1 0 310.829 1.888 10 0 DDAERO CC(=O)c1cccc(NC(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000023249637 182355013 /nfs/dbraw/zinc/35/50/13/182355013.db2.gz MTWSTFCIIFBICI-MRXNPFEDSA-N 1 0 301.390 1.608 10 0 DDAERO CNC(=O)C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000037254124 182875630 /nfs/dbraw/zinc/87/56/30/182875630.db2.gz BCXCOUCQMWJLCV-NSHDSACASA-N 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C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1N ZINC000061642535 184180080 /nfs/dbraw/zinc/18/00/80/184180080.db2.gz GXTXSDXKZCXZBY-NSHDSACASA-N 1 0 301.387 1.123 10 0 DDAERO CC[C@H](Oc1c(Br)cccc1CC[NH3+])C(N)=O ZINC000061678457 184181704 /nfs/dbraw/zinc/18/17/04/184181704.db2.gz IUTWAFOJTLTXEU-JTQLQIEISA-N 1 0 301.184 1.593 10 0 DDAERO CC[C@@H](Oc1ccc(Br)cc1CC[NH3+])C(N)=O ZINC000061678290 184181771 /nfs/dbraw/zinc/18/17/71/184181771.db2.gz XEPSIQYAOQQNBX-SNVBAGLBSA-N 1 0 301.184 1.593 10 0 DDAERO CC(C)n1cc(NS(=O)(=O)Cc2ccccc2C[NH3+])cn1 ZINC000061683353 184182398 /nfs/dbraw/zinc/18/23/98/184182398.db2.gz QRMCNRRBNNFCKH-UHFFFAOYSA-N 1 0 308.407 1.865 10 0 DDAERO CCC[C@H]1CC[C@H](C[NH3+])[C@H](N2CCN(S(C)(=O)=O)CC2)C1 ZINC000062082109 184204850 /nfs/dbraw/zinc/20/48/50/184204850.db2.gz CIWZWOIRUPLZNQ-RRFJBIMHSA-N 1 0 317.499 1.107 10 0 DDAERO C[C@H](CNC(=O)c1cccc(C(N)=S)c1)C[NH+]1CCCC1 ZINC000062079886 184204867 /nfs/dbraw/zinc/20/48/67/184204867.db2.gz LCWDFZGZWZZYDL-GFCCVEGCSA-N 1 0 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KOTHVDKCLKFMBR-HOTGVXAUSA-N 1 0 314.433 1.759 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(F)cc1 ZINC000249190148 408704444 /nfs/dbraw/zinc/70/44/44/408704444.db2.gz PAXCGNVSXQMBPS-FZMZJTMJSA-N 1 0 305.353 1.459 10 0 DDAERO Cc1ccc(C)c(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000249197550 408705300 /nfs/dbraw/zinc/70/53/00/408705300.db2.gz QIVMVANOFKJHRZ-CABCVRRESA-N 1 0 315.417 1.937 10 0 DDAERO CCCCOC[C@H](O)C[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000193246621 408705786 /nfs/dbraw/zinc/70/57/86/408705786.db2.gz QMJMEKCKGJVUAV-QGZVFWFLSA-N 1 0 322.449 1.995 10 0 DDAERO COc1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000177683925 408686267 /nfs/dbraw/zinc/68/62/67/408686267.db2.gz XBWQAKHEMYKJQT-GFCCVEGCSA-N 1 0 321.352 1.079 10 0 DDAERO COc1cc(C)ccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177685275 408686304 /nfs/dbraw/zinc/68/63/04/408686304.db2.gz LWECXJKOQNKMTH-ZDUSSCGKSA-N 1 0 317.389 1.249 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)NCc1ccc(F)cc1 ZINC000177705202 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O=C(NC[C@@H]1CCCN(c2ncccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261641370 163677297 /nfs/dbraw/zinc/67/72/97/163677297.db2.gz ACVHQUKEXOQJFJ-GXTWGEPZSA-N 1 0 322.840 1.820 10 0 DDAERO CC(=O)N1CC[C@H](C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1 ZINC000261678791 163683122 /nfs/dbraw/zinc/68/31/22/163683122.db2.gz IFZAFZZNFBRCCV-BBWFWOEESA-N 1 0 315.417 1.056 10 0 DDAERO Cc1ccc(-n2cc(C(=O)N3CC[C@H]([NH3+])C(C)(C)C3)nn2)cc1 ZINC000261687302 163685411 /nfs/dbraw/zinc/68/54/11/163685411.db2.gz AWXCVHOYLDKSCC-HNNXBMFYSA-N 1 0 313.405 1.775 10 0 DDAERO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000261717166 163691062 /nfs/dbraw/zinc/69/10/62/163691062.db2.gz JWANRTWBTYNKAN-GFCCVEGCSA-N 1 0 300.424 1.608 10 0 DDAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000261727029 163692932 /nfs/dbraw/zinc/69/29/32/163692932.db2.gz LFFYCSAAMLWTBT-DTWKUNHWSA-N 1 0 318.826 1.550 10 0 DDAERO C[NH2+][C@@H](C)CNC(=O)[C@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000261814248 163708048 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CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C[C@@H]2CCC(=O)N2)C1 ZINC000227659571 697769990 /nfs/dbraw/zinc/76/99/90/697769990.db2.gz XGRZQAOVBNEEAT-STQMWFEESA-N 1 0 311.426 1.502 10 0 DDAERO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)N2CCO[C@@H](C)C2)C12CCCC2 ZINC000247134257 698361749 /nfs/dbraw/zinc/36/17/49/698361749.db2.gz XJSXZKXDWVTUMH-ARFHVFGLSA-N 1 0 324.465 1.903 10 0 DDAERO O=c1oc(-c2cccs2)nn1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247194083 698362919 /nfs/dbraw/zinc/36/29/19/698362919.db2.gz VSWOEYCRQWVSBE-NSHDSACASA-N 1 0 306.391 1.302 10 0 DDAERO CC[C@@H]1CN(C[C@@H]2CC3(CCC3)C(=O)O2)CC[N@@H+]1C[C@H](C)O ZINC000248916311 698383701 /nfs/dbraw/zinc/38/37/01/698383701.db2.gz ZVVVGPPOIOKPNV-ZNMIVQPWSA-N 1 0 310.438 1.249 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](O)c1cccc(OC)c1 ZINC000252735881 698404099 /nfs/dbraw/zinc/40/40/99/698404099.db2.gz RYPSJRUSMQINED-ZBFHGGJFSA-N 1 0 306.406 1.671 10 0 DDAERO CCOc1ccccc1[C@@H](CC(=O)NC[C@H](C)[NH2+]C)NC(C)=O ZINC000261665135 698431858 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C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCOC(F)(F)C(F)(F)F ZINC000720328033 699304857 /nfs/dbraw/zinc/30/48/57/699304857.db2.gz DELYUYHOCAMHAY-SFYZADRCSA-N 1 0 304.259 1.662 10 0 DDAERO CC(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2C)CC[C@H]1C(F)(F)F ZINC000886065509 708690971 /nfs/dbraw/zinc/69/09/71/708690971.db2.gz HCJXCAXJNMTOHM-STQMWFEESA-N 1 0 318.343 1.760 10 0 DDAERO Cn1cnnc1C[C@@]1(O)CCC[N@H+](CCOCC2CCC2)C1 ZINC000888077671 709209865 /nfs/dbraw/zinc/20/98/65/709209865.db2.gz OONFTKFGOAGLHO-INIZCTEOSA-N 1 0 308.426 1.001 10 0 DDAERO C[NH+](C)CCn1nccc1C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000900250466 709505153 /nfs/dbraw/zinc/50/51/53/709505153.db2.gz BUAOKQLEDIMLLW-UKRRQHHQSA-N 1 0 306.410 1.228 10 0 DDAERO Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)C2)n1 ZINC000900604195 709673281 /nfs/dbraw/zinc/67/32/81/709673281.db2.gz RFTSDFSGABBRHE-HLLBOEOZSA-N 1 0 320.437 1.119 10 0 DDAERO C[C@H]1Oc2cc(C(=O)NCCC[NH+](C)C)ccc2N(C)C1=O ZINC000074668879 185006894 /nfs/dbraw/zinc/00/68/94/185006894.db2.gz 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CC(C)[NH2+]Cc1c(N2CCCNC(=O)C2)nc2sccn12 ZINC000087885083 185234501 /nfs/dbraw/zinc/23/45/01/185234501.db2.gz OXHFVAFQTDIWAG-UHFFFAOYSA-N 1 0 307.423 1.220 10 0 DDAERO C[C@H](NS(=O)(=O)[C@H]1CC[NH2+]C1)C12CC3CC(CC(C3)C1)C2 ZINC000088056071 185238189 /nfs/dbraw/zinc/23/81/89/185238189.db2.gz YPHSNTUJIDWHPK-KORRQRHVSA-N 1 0 312.479 1.873 10 0 DDAERO [NH3+]CCCS(=O)(=O)Cc1ccc(Br)cc1F ZINC000088067201 185238567 /nfs/dbraw/zinc/23/85/67/185238567.db2.gz FXNIBJQRQKERGO-UHFFFAOYSA-N 1 0 310.188 1.852 10 0 DDAERO COc1ccc(Br)c(CS(=O)(=O)CC[NH3+])c1 ZINC000088061941 185238610 /nfs/dbraw/zinc/23/86/10/185238610.db2.gz XEPZQQSMGPQBKC-UHFFFAOYSA-N 1 0 308.197 1.331 10 0 DDAERO COC[C@H](O)CC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000153755665 290652541 /nfs/dbraw/zinc/65/25/41/290652541.db2.gz YKRHGBNASKHOIJ-ZIAGYGMSSA-N 1 0 316.442 1.621 10 0 DDAERO COc1ccc(C[C@H]([NH3+])[C@@H]2COCCO2)cc1Br ZINC000087857431 185233710 /nfs/dbraw/zinc/23/37/10/185233710.db2.gz QOAJQRBRIXUWSV-AAEUAGOBSA-N 1 0 316.195 1.743 10 0 DDAERO Cc1nn(C)c(C[S@](=O)C[C@@H](C)C[NH3+])c1Br ZINC000088089962 185239680 /nfs/dbraw/zinc/23/96/80/185239680.db2.gz SRXBSWDJJXATJM-GYKQLYQFSA-N 1 0 308.245 1.335 10 0 DDAERO [NH3+]CCC1(CS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000088272358 185244304 /nfs/dbraw/zinc/24/43/04/185244304.db2.gz VWFUKYZMIYDWQI-UHFFFAOYSA-N 1 0 311.403 1.751 10 0 DDAERO CCN(C(=O)C[C@H](C[NH3+])CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000088277109 185244742 /nfs/dbraw/zinc/24/47/42/185244742.db2.gz KAUPKVPZRQTCKG-OLZOCXBDSA-N 1 0 304.456 1.033 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)C(C)C ZINC000183674399 539242908 /nfs/dbraw/zinc/24/29/08/539242908.db2.gz ZAAJEXLLZNBARM-CMPLNLGQSA-N 1 0 323.359 1.148 10 0 DDAERO CC[C@@H](C[NH3+])S(=O)(=O)NCc1cccc(C(F)(F)F)c1 ZINC000088472055 185252151 /nfs/dbraw/zinc/25/21/51/185252151.db2.gz ANBQPAQFCJLCHS-NSHDSACASA-N 1 0 310.341 1.862 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@@H](C)OC(C)(C)C2)o1 ZINC000088544263 185256869 /nfs/dbraw/zinc/25/68/69/185256869.db2.gz IFDQNPWIJXWMAF-LLVKDONJSA-N 1 0 316.423 1.577 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)NCCOCCC(C)C)o1 ZINC000088543237 185256181 /nfs/dbraw/zinc/25/61/81/185256181.db2.gz YGOQCCXBOMJJJT-UHFFFAOYSA-N 1 0 318.439 1.730 10 0 DDAERO C[C@@H](c1ccc(Br)cc1)N1CC[NH2+]C[C@@H]1C(N)=O ZINC000088659397 185261708 /nfs/dbraw/zinc/26/17/08/185261708.db2.gz RRVNFEWTEHEYGK-JOYOIKCWSA-N 1 0 312.211 1.269 10 0 DDAERO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCNC3=[NH+]CCN32)C1 ZINC000232496610 539267104 /nfs/dbraw/zinc/26/71/04/539267104.db2.gz HSYMVWLHRGLPLW-CHWSQXEVSA-N 1 0 308.426 1.667 10 0 DDAERO Nc1c[nH+]ccc1N1CCN(C(=O)CCC(F)(F)F)CC1 ZINC000088832447 185266552 /nfs/dbraw/zinc/26/65/52/185266552.db2.gz FRWWECOTTCEQKK-UHFFFAOYSA-N 1 0 302.300 1.655 10 0 DDAERO COC1(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CCOCC1 ZINC000246099029 539269503 /nfs/dbraw/zinc/26/95/03/539269503.db2.gz KJFZUWVFUCIVLU-KGLIPLIRSA-N 1 0 311.426 1.060 10 0 DDAERO CC[NH2+][C@@H]1c2ccccc2OC[C@H]1S(=O)(=O)CCCOC ZINC000081985978 192349539 /nfs/dbraw/zinc/34/95/39/192349539.db2.gz QFGXUHQSKKSMGR-HUUCEWRRSA-N 1 0 313.419 1.550 10 0 DDAERO CCCN(CC[NH+](C)C)S(=O)(=O)c1ccc(CO)cc1 ZINC000088895144 185270131 /nfs/dbraw/zinc/27/01/31/185270131.db2.gz DYRSYLGBXBVBSJ-UHFFFAOYSA-N 1 0 300.424 1.141 10 0 DDAERO CC[NH2+][C@H](C[S@](=O)CCS(C)(=O)=O)c1ccccc1 ZINC000081991932 192351623 /nfs/dbraw/zinc/35/16/23/192351623.db2.gz DTOAFQANQMSXFS-ACJLOTCBSA-N 1 0 303.449 1.131 10 0 DDAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NS(=O)(=O)c1cccc(Cl)c1F ZINC000090312989 185290708 /nfs/dbraw/zinc/29/07/08/185290708.db2.gz JWWNEOPDYAIQBW-SBMIAAHKSA-N 1 0 322.789 1.262 10 0 DDAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1cc(F)ccc1C ZINC000090331496 185291177 /nfs/dbraw/zinc/29/11/77/185291177.db2.gz WONZRGBUMUTROC-KWCYVHTRSA-N 1 0 312.410 1.753 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1ccc(Br)cn1 ZINC000090335856 185291659 /nfs/dbraw/zinc/29/16/59/185291659.db2.gz FTORJSHXRNZKDH-KOLCDFICSA-N 1 0 324.222 1.914 10 0 DDAERO CNS(=O)(=O)c1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2(C)C)cc1 ZINC000090338626 185291811 /nfs/dbraw/zinc/29/18/11/185291811.db2.gz LECSRMZZAXXEEH-RISCZKNCSA-N 1 0 309.435 1.029 10 0 DDAERO CNS(=O)(=O)c1ccccc1N1C[C@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000090339016 185291941 /nfs/dbraw/zinc/29/19/41/185291941.db2.gz YOGFPUAMRAYXIX-NEPJUHHUSA-N 1 0 309.435 1.029 10 0 DDAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000090489618 185298857 /nfs/dbraw/zinc/29/88/57/185298857.db2.gz IBQSHEPUQMWGCH-CMPLNLGQSA-N 1 0 311.769 1.002 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)NCCc1ccc(Cl)cc1Cl ZINC000090431978 185295996 /nfs/dbraw/zinc/29/59/96/185295996.db2.gz VIOLMWREWRXPTD-WCQYABFASA-N 1 0 317.216 1.887 10 0 DDAERO CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1COC[C@H]1[NH2+]C ZINC000090434614 185296117 /nfs/dbraw/zinc/29/61/17/185296117.db2.gz GHYBQBRHRJWWOB-GHMZBOCLSA-N 1 0 302.827 1.984 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000090434212 185296269 /nfs/dbraw/zinc/29/62/69/185296269.db2.gz FLZRUJDTLYACFF-WPRPVWTQSA-N 1 0 304.268 1.600 10 0 DDAERO CCOCCCN(CC(F)(F)F)C(=O)[C@@H]1COC[C@H]1[NH2+]C ZINC000090435167 185296297 /nfs/dbraw/zinc/29/62/97/185296297.db2.gz MUEQGYLXSZVDAA-GHMZBOCLSA-N 1 0 312.332 1.038 10 0 DDAERO Cc1noc(C)c1[C@H](C)NS(=O)(=O)c1cc(C[NH3+])oc1C ZINC000092344127 185313361 /nfs/dbraw/zinc/31/33/61/185313361.db2.gz RZXNVYQVIHOUKU-QMMMGPOBSA-N 1 0 313.379 1.691 10 0 DDAERO CNc1cc[nH+]c(CN2CCSC[C@H]2S(C)(=O)=O)c1 ZINC000092419465 185317194 /nfs/dbraw/zinc/31/71/94/185317194.db2.gz JVSMOKWURTXPKI-GFCCVEGCSA-N 1 0 301.437 1.043 10 0 DDAERO Cc1cc(S(=O)(=O)N(C)C[C@H]2CCCN2C)sc1C[NH3+] ZINC000092679616 185333304 /nfs/dbraw/zinc/33/33/04/185333304.db2.gz WGUUAFIBHXJHCY-LLVKDONJSA-N 1 0 317.480 1.230 10 0 DDAERO Cc1ccc(CO)cc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000092678033 185333365 /nfs/dbraw/zinc/33/33/65/185333365.db2.gz WWCAKZYCEBXGBQ-CQSZACIVSA-N 1 0 312.435 1.202 10 0 DDAERO 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201040041 /nfs/dbraw/zinc/04/00/41/201040041.db2.gz LAGZMCZVQWVNPU-HUUCEWRRSA-N 1 0 309.406 1.936 10 0 DDAERO C[C@H](C(=O)N[C@@H]1CCC[NH2+][C@H]1C)N1CCc2ccccc2C1 ZINC000193546961 201072158 /nfs/dbraw/zinc/07/21/58/201072158.db2.gz YXTOAUFBSFABCA-JJRVBVJISA-N 1 0 301.434 1.690 10 0 DDAERO COc1cc(S(=O)(=O)N[C@H]2CCC[NH2+][C@@H]2C)ccc1F ZINC000193462028 201055716 /nfs/dbraw/zinc/05/57/16/201055716.db2.gz HCJRTQDTSCZQQV-SKDRFNHKSA-N 1 0 302.371 1.253 10 0 DDAERO Cc1nn(C)c(C)c1CN1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000193906080 201141199 /nfs/dbraw/zinc/14/11/99/201141199.db2.gz GJMURUJKZOHJGG-INIZCTEOSA-N 1 0 304.438 1.847 10 0 DDAERO C[S@](=O)Cc1cccc(NC(=O)c2csc(CC[NH3+])n2)c1 ZINC000194807187 201292132 /nfs/dbraw/zinc/29/21/32/201292132.db2.gz BMVRYMJQEXQZPS-NRFANRHFSA-N 1 0 323.443 1.775 10 0 DDAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN([C@@H]2CCNC2=O)C1 ZINC000195249454 201365611 /nfs/dbraw/zinc/36/56/11/201365611.db2.gz KEVDNLZPCLDULB-CHWSQXEVSA-N 1 0 308.451 1.094 10 0 DDAERO CC(C)C[NH2+]CCCCCN1CCSC[C@H]1S(C)(=O)=O ZINC000090924014 192948145 /nfs/dbraw/zinc/94/81/45/192948145.db2.gz LOITYHNQYMTNLL-CQSZACIVSA-N 1 0 322.540 1.822 10 0 DDAERO CCS(=O)(=O)[C@H]1CSCCN1CCCC(C)(C)C(N)=[NH2+] ZINC000090927206 192950751 /nfs/dbraw/zinc/95/07/51/192950751.db2.gz QSRGTBIPKQNXGN-NSHDSACASA-N 1 0 321.512 1.538 10 0 DDAERO Cn1ccnc(N2CCC[C@@H]([NH2+][C@@H]3CCCSC3)C2)c1=O ZINC000275528993 212396855 /nfs/dbraw/zinc/39/68/55/212396855.db2.gz LSDXFDXUIKCSMI-CHWSQXEVSA-N 1 0 308.451 1.234 10 0 DDAERO CCNC(=O)C[C@@H](C[NH3+])Nc1cccc(Br)c1 ZINC000091316655 193037818 /nfs/dbraw/zinc/03/78/18/193037818.db2.gz RKXVPOJAWUOJTA-NSHDSACASA-N 1 0 300.200 1.715 10 0 DDAERO CN(C)C(=O)C[C@@H](C[NH3+])Nc1ccc(Br)cc1 ZINC000091322432 193040584 /nfs/dbraw/zinc/04/05/84/193040584.db2.gz PGQHIARGLVCEJM-NSHDSACASA-N 1 0 300.200 1.667 10 0 DDAERO CC(C)[NH2+]Cc1cnn([C@@H]2CCS(=O)(=O)C2)c1C(F)F ZINC000091336116 193042207 /nfs/dbraw/zinc/04/22/07/193042207.db2.gz MNJRECFCOXALCN-SNVBAGLBSA-N 1 0 307.366 1.678 10 0 DDAERO CCC[NH2+]Cc1cnn(CCS(=O)(=O)CC)c1C(F)F ZINC000091339862 193043149 /nfs/dbraw/zinc/04/31/49/193043149.db2.gz MHDFARLFROLYGU-UHFFFAOYSA-N 1 0 309.382 1.755 10 0 DDAERO CCc1nn(CC)c(CN2CC[C@@H]([NH3+])C2)c1Br ZINC000091347291 193044686 /nfs/dbraw/zinc/04/46/86/193044686.db2.gz XGPDYMWHRLGOMR-SECBINFHSA-N 1 0 301.232 1.761 10 0 DDAERO C[NH+](C)[C@@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2N)C1 ZINC000091394625 193050759 /nfs/dbraw/zinc/05/07/59/193050759.db2.gz MWBVMVDYHASCEN-GFCCVEGCSA-N 1 0 310.829 1.887 10 0 DDAERO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc(N)cc2Cl)C1 ZINC000091391727 193051187 /nfs/dbraw/zinc/05/11/87/193051187.db2.gz BHBUKYCHIZNWKF-LLVKDONJSA-N 1 0 317.842 1.637 10 0 DDAERO CS(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000091544449 193071957 /nfs/dbraw/zinc/07/19/57/193071957.db2.gz DBGFPWJNVQACFR-IUCAKERBSA-N 1 0 316.810 1.809 10 0 DDAERO CN(CC1CC([NH3+])C1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000091473082 193061811 /nfs/dbraw/zinc/06/18/11/193061811.db2.gz 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COCC[NH2+]C[C@H](CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000054639518 183947016 /nfs/dbraw/zinc/94/70/16/183947016.db2.gz UQDCAFJYESSECN-CABCVRRESA-N 1 0 319.467 1.090 10 0 DDAERO CCOCC[N@H+](CC)CC[C@](C)(NC1CC1)C(=O)OCC ZINC000111121928 194391803 /nfs/dbraw/zinc/39/18/03/194391803.db2.gz ZMASQISYNYUWCR-INIZCTEOSA-N 1 0 300.443 1.809 10 0 DDAERO C[C@H](O)c1ccc(S(=O)(=O)N(C)CCC[NH+](C)C)cc1 ZINC000111146753 194395195 /nfs/dbraw/zinc/39/51/95/194395195.db2.gz JKNIFISNUPXNIJ-LBPRGKRZSA-N 1 0 300.424 1.312 10 0 DDAERO CCOC(=O)[C@](C)(CCC[N@H+](C)CCN(C)C)NC(C)C ZINC000111145232 194395241 /nfs/dbraw/zinc/39/52/41/194395241.db2.gz NRWRGPLCACBGGN-INIZCTEOSA-N 1 0 301.475 1.580 10 0 DDAERO CCCN[C@](C)(CCC[N@H+](C)CCN(C)C)C(=O)OCC ZINC000111144992 194395530 /nfs/dbraw/zinc/39/55/30/194395530.db2.gz KFZHRWCBZSINGZ-MRXNPFEDSA-N 1 0 301.475 1.581 10 0 DDAERO [NH3+]CCOCCS(=O)(=O)c1ccc(Br)cc1 ZINC000057652898 184043950 /nfs/dbraw/zinc/04/39/50/184043950.db2.gz UHNOIOMRCJGIGM-UHFFFAOYSA-N 1 0 308.197 1.198 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JLFJTDMOYVDFKV-UHFFFAOYSA-N 1 0 313.423 1.311 10 0 DDAERO CC[NH2+]CCC(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 ZINC000061292926 184167959 /nfs/dbraw/zinc/16/79/59/184167959.db2.gz ZSDSTBRDQJNBPQ-UHFFFAOYSA-N 1 0 303.359 1.135 10 0 DDAERO CC[NH2+][C@@H](C)CC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000061273920 184167990 /nfs/dbraw/zinc/16/79/90/184167990.db2.gz ZFQGKLSALQAHOF-NWDGAFQWSA-N 1 0 312.435 1.655 10 0 DDAERO CC[NH2+][C@](C)(CCCSc1nnc2ccccn21)C(N)=O ZINC000061408434 184170466 /nfs/dbraw/zinc/17/04/66/184170466.db2.gz QRMCMERXNJOPGB-CQSZACIVSA-N 1 0 307.423 1.455 10 0 DDAERO C[N@@H+]1CCCC[C@@H]1CNc1nc(Cl)nc(-n2cncn2)n1 ZINC000061540830 184173291 /nfs/dbraw/zinc/17/32/91/184173291.db2.gz RPZOPZMEEWTVKC-SECBINFHSA-N 1 0 308.777 1.002 10 0 DDAERO C[N@@H+]1CCC[C@H](CNc2nc(Cl)nc(-n3cccn3)n2)C1 ZINC000061540801 184173300 /nfs/dbraw/zinc/17/33/00/184173300.db2.gz UXHWNJGAODGBRP-SNVBAGLBSA-N 1 0 307.789 1.464 10 0 DDAERO CCCn1c(S[C@H](c2ccccn2)[C@@H]([NH3+])CC)n[nH]c1=O ZINC000061594972 184176474 /nfs/dbraw/zinc/17/64/74/184176474.db2.gz RSPBQECOOFGYEG-JQWIXIFHSA-N 1 0 307.423 1.947 10 0 DDAERO C[NH+](C)CCN1CCN(Cc2cccc(C(N)=S)c2)CC1 ZINC000061644355 184180150 /nfs/dbraw/zinc/18/01/50/184180150.db2.gz MUSBYPWVGXFMAB-UHFFFAOYSA-N 1 0 306.479 1.000 10 0 DDAERO Cc1cc(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)cc(N)c1C ZINC000061642498 184180550 /nfs/dbraw/zinc/18/05/50/184180550.db2.gz YQPMVCILDLFCDS-ZDUSSCGKSA-N 1 0 311.451 1.600 10 0 DDAERO CCn1cc(S(=O)(=O)NCc2ccccc2C[NH3+])nc1C ZINC000061841277 184189161 /nfs/dbraw/zinc/18/91/61/184189161.db2.gz SLFWXMWVFQJTIO-UHFFFAOYSA-N 1 0 308.407 1.149 10 0 DDAERO CC[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCCOCC2)c1 ZINC000061936065 184196572 /nfs/dbraw/zinc/19/65/72/184196572.db2.gz CBTJKMCMUWYWNH-CYBMUJFWSA-N 1 0 312.435 1.768 10 0 DDAERO C[NH+](C)CCCNC(=O)[C@H]1CCCN1Cc1ccccc1F ZINC000062066181 184203853 /nfs/dbraw/zinc/20/38/53/184203853.db2.gz ZLUAKPZYKHNROK-MRXNPFEDSA-N 1 0 307.413 1.858 10 0 DDAERO COc1cc(CNS(=O)(=O)c2cccc(C[NH3+])c2)ccn1 ZINC000062074024 184204443 /nfs/dbraw/zinc/20/44/43/184204443.db2.gz KUTHMNRTWDGDPT-UHFFFAOYSA-N 1 0 307.375 1.027 10 0 DDAERO CCC[C@](C)(C[NH2+]C1CC1)CN1CCN(S(C)(=O)=O)CC1 ZINC000062086284 184205734 /nfs/dbraw/zinc/20/57/34/184205734.db2.gz QAGLRBPEJPFSMP-OAHLLOKOSA-N 1 0 317.499 1.122 10 0 DDAERO NNc1ccc(Cl)cc1C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062943613 184262201 /nfs/dbraw/zinc/26/22/01/184262201.db2.gz TWNCUANLCYWDLJ-GFCCVEGCSA-N 1 0 308.813 1.936 10 0 DDAERO COC(=O)[C@H](C)Oc1ccc(CC[NH3+])cc1Br ZINC000062703879 184248749 /nfs/dbraw/zinc/24/87/49/184248749.db2.gz VIKLYGDMHMDKPB-QMMMGPOBSA-N 1 0 302.168 1.891 10 0 DDAERO COCC[NH2+]Cc1ccc(OCCC(=O)N(C)C)c(Cl)c1 ZINC000062730565 184251037 /nfs/dbraw/zinc/25/10/37/184251037.db2.gz TYVMVIQOAZBIQU-UHFFFAOYSA-N 1 0 314.813 1.933 10 0 DDAERO C[C@]1(C(=O)N[C@@H]2CCC[C@H](OCC(F)(F)F)C2)CC[NH2+]C1 ZINC000062891716 184258481 /nfs/dbraw/zinc/25/84/81/184258481.db2.gz KANCRJGMWPTGGF-MDZLAQPJSA-N 1 0 308.344 1.992 10 0 DDAERO CC[C@@]1(C(=O)Nc2ccccc2NS(C)(=O)=O)CC[NH2+]C1 ZINC000062893282 184258903 /nfs/dbraw/zinc/25/89/03/184258903.db2.gz MHFVUIXVKXMNSI-CQSZACIVSA-N 1 0 311.407 1.386 10 0 DDAERO O=S(=O)(NOCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000062578375 184244421 /nfs/dbraw/zinc/24/44/21/184244421.db2.gz HDAJGUIXVODIMW-UHFFFAOYSA-N 1 0 304.799 1.646 10 0 DDAERO C[NH2+]Cc1ccc(OC[C@@H]2CNC(=O)O2)c(Br)c1 ZINC000062700770 184247529 /nfs/dbraw/zinc/24/75/29/184247529.db2.gz IEWFSDMZUXCSEW-VIFPVBQESA-N 1 0 315.167 1.656 10 0 DDAERO CC(=O)c1cccc(S(=O)(=O)N[C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000063213994 184278786 /nfs/dbraw/zinc/27/87/86/184278786.db2.gz YROPZMJBHNKQBZ-GJZGRUSLSA-N 1 0 310.419 1.828 10 0 DDAERO CCCNc1ncccc1S(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062984600 184265124 /nfs/dbraw/zinc/26/51/24/184265124.db2.gz RIHGRDFSSOBMQG-LBPRGKRZSA-N 1 0 312.439 1.228 10 0 DDAERO C[NH2+][C@@H](c1ccccc1)C(C)(C)CN1CCS(=O)(=O)CC1 ZINC000063018997 184267193 /nfs/dbraw/zinc/26/71/93/184267193.db2.gz MUAMKVNFDNLXFN-HNNXBMFYSA-N 1 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OZFJWHJCPBZWHJ-GFCCVEGCSA-N 1 0 307.394 1.389 10 0 DDAERO CCN[C@@](C)(C[C@H](C)[NH+]1CCC(COC)CC1)C(=O)OC ZINC000068647743 184495860 /nfs/dbraw/zinc/49/58/60/184495860.db2.gz ANMUURYUFUUQSV-BBRMVZONSA-N 1 0 300.443 1.665 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(Cl)c(Cl)[nH]2)CCO1 ZINC000116786092 194770229 /nfs/dbraw/zinc/77/02/29/194770229.db2.gz DPEVMVYPTQXISQ-MRVPVSSYSA-N 1 0 306.193 1.724 10 0 DDAERO COCC[N@@H+]1CCN([C@H](C(=O)OC)c2ccccc2C)C[C@@H]1C ZINC000248629623 285051450 /nfs/dbraw/zinc/05/14/50/285051450.db2.gz REBHYLOSOPKTGO-RDJZCZTQSA-N 1 0 320.433 1.862 10 0 DDAERO Cc1noc(C)c1CCNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000120097174 195095968 /nfs/dbraw/zinc/09/59/68/195095968.db2.gz DTCGDONGALPVFX-XHDPSFHLSA-N 1 0 308.426 1.862 10 0 DDAERO CCOC(=O)c1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)o1 ZINC000156673846 197131973 /nfs/dbraw/zinc/13/19/73/197131973.db2.gz YZZZLUMDOVSBHW-ZDUSSCGKSA-N 1 0 318.377 1.960 10 0 DDAERO Cc1cc(C)cc(NC(=O)CN2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000155344404 197046182 /nfs/dbraw/zinc/04/61/82/197046182.db2.gz LXLOOTOVKDCATJ-MRXNPFEDSA-N 1 0 305.422 1.504 10 0 DDAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC1(CO)CCOCC1 ZINC000151534319 196694309 /nfs/dbraw/zinc/69/43/09/196694309.db2.gz PGTQESDOUCCTJM-MRXNPFEDSA-N 1 0 320.433 1.065 10 0 DDAERO CN(C)C(=O)[C@@H]1C[C@H]2CC[N@H+](CCc3ccccc3)C[C@H]2O1 ZINC000248048855 257111009 /nfs/dbraw/zinc/11/10/09/257111009.db2.gz XCZKBXXYVNWXFG-IXDOHACOSA-N 1 0 302.418 1.797 10 0 DDAERO Cc1csc(CN2C[C@@H]3OCC[N@@H+](CC4CC4)C[C@@H]3C2)n1 ZINC000247972462 257113254 /nfs/dbraw/zinc/11/32/54/257113254.db2.gz SYOHNQVWALQJRQ-CABCVRRESA-N 1 0 307.463 1.994 10 0 DDAERO COCC[C@@H]1CO[C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]12 ZINC000247912178 257114074 /nfs/dbraw/zinc/11/40/74/257114074.db2.gz YNRJREKPZKSWCB-CKEIUWERSA-N 1 0 305.374 1.899 10 0 DDAERO CO[C@@H]1CCN(C(=O)C2CC2)[C@H]2C[N@H+](Cc3ccncc3)C[C@H]21 ZINC000247866725 257116168 /nfs/dbraw/zinc/11/61/68/257116168.db2.gz XWZZUFSLXMPBOJ-IXDOHACOSA-N 1 0 315.417 1.539 10 0 DDAERO Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CC[N@H+]3C2CCOCC2)n1 ZINC000247858553 257116474 /nfs/dbraw/zinc/11/64/74/257116474.db2.gz FBSLXYNRQXGRRO-SJORKVTESA-N 1 0 315.417 1.744 10 0 DDAERO c1ccc(OCC[C@@H]2CO[C@@H]3C[N@@H+](C4CCOCC4)C[C@H]23)nc1 ZINC000253596272 257105618 /nfs/dbraw/zinc/10/56/18/257105618.db2.gz PHDFGMNVJYRMJL-DJIMGWMZSA-N 1 0 318.417 1.976 10 0 DDAERO COc1cccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1OC ZINC000121024550 195281767 /nfs/dbraw/zinc/28/17/67/195281767.db2.gz NGUMCRSHKFNYBH-HNNXBMFYSA-N 1 0 306.406 1.610 10 0 DDAERO COc1ccccc1NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000121813594 195353006 /nfs/dbraw/zinc/35/30/06/195353006.db2.gz KAQQVPATAVVFKT-CYBMUJFWSA-N 1 0 321.421 1.726 10 0 DDAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638303328 422815230 /nfs/dbraw/zinc/81/52/30/422815230.db2.gz YGMOPBQSFROBLA-MAUKXSAKSA-N 1 0 319.449 1.379 10 0 DDAERO Cc1nc(N2CCO[C@H]([C@@H](C)[NH3+])C2)ccc1Br ZINC000235186624 484176693 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407131036 /nfs/dbraw/zinc/13/10/36/407131036.db2.gz IDSZNSFZOUOOAM-LLVKDONJSA-N 1 0 301.159 1.956 10 0 DDAERO C[C@@H]([NH3+])C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000095088901 407205971 /nfs/dbraw/zinc/20/59/71/407205971.db2.gz BQPONGOCRGLSBQ-GFCCVEGCSA-N 1 0 311.426 1.583 10 0 DDAERO Cn1c2cnccc2nc1[C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000065292882 407242305 /nfs/dbraw/zinc/24/23/05/407242305.db2.gz BMVTYPRIORCKCO-CHWSQXEVSA-N 1 0 313.405 1.284 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)NC(=O)OC(C)(C)C ZINC000067235484 407269980 /nfs/dbraw/zinc/26/99/80/407269980.db2.gz UGKAVCLYCCZQQW-CHWSQXEVSA-N 1 0 315.458 1.992 10 0 DDAERO COC(=O)c1sc(N2CC[N@@H+]3CCC[C@@H]3C2)nc1Cl ZINC000096474815 407270652 /nfs/dbraw/zinc/27/06/52/407270652.db2.gz QTMJWHGNXDDKKU-MRVPVSSYSA-N 1 0 301.799 1.868 10 0 DDAERO C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)N1CCOCC1 ZINC000123550798 407332170 /nfs/dbraw/zinc/33/21/70/407332170.db2.gz MFJUXKNMDQCZJZ-KGLIPLIRSA-N 1 0 316.409 1.034 10 0 DDAERO C[NH+](C)CCCCCCCNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112746359 407438497 /nfs/dbraw/zinc/43/84/97/407438497.db2.gz ZMYTVNSKEHVCBW-CQSZACIVSA-N 1 0 322.457 1.404 10 0 DDAERO CC(C)CC1(CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000127510318 407438799 /nfs/dbraw/zinc/43/87/99/407438799.db2.gz CBRQARUSUMIDNT-HNNXBMFYSA-N 1 0 311.470 1.959 10 0 DDAERO Cc1ccc([C@H](C)CNC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000125796262 407397950 /nfs/dbraw/zinc/39/79/50/407397950.db2.gz DXSWSCKLCHEKSM-GDBMZVCRSA-N 1 0 305.422 1.728 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)Cc2ccc(F)cc2Cl)CCO1 ZINC000126357328 407411760 /nfs/dbraw/zinc/41/17/60/407411760.db2.gz VZSMDTLTRXQJQH-ZDUSSCGKSA-N 1 0 314.788 1.811 10 0 DDAERO CNC(=O)[C@H]1CCCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000111635638 407412999 /nfs/dbraw/zinc/41/29/99/407412999.db2.gz SVORQXVOXNZCGE-HOTGVXAUSA-N 1 0 317.433 1.144 10 0 DDAERO O[C@H](COC1CCOCC1)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000127469255 407437851 /nfs/dbraw/zinc/43/78/51/407437851.db2.gz 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CCCCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170868665 407539003 /nfs/dbraw/zinc/53/90/03/407539003.db2.gz RVYRHBOCTLTBPM-QWHCGFSZSA-N 1 0 313.467 1.241 10 0 DDAERO Brc1cccnc1N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261581053 407543646 /nfs/dbraw/zinc/54/36/46/407543646.db2.gz QIWLPNADZAQHGF-NSHDSACASA-N 1 0 311.227 1.328 10 0 DDAERO CC(=O)N[C@H]1CCC[N@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000114207478 407550462 /nfs/dbraw/zinc/55/04/62/407550462.db2.gz OVPMLFHMDTWYDE-HNNXBMFYSA-N 1 0 314.389 1.880 10 0 DDAERO COc1ccc(C)cc1S(=O)(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261748624 407599999 /nfs/dbraw/zinc/59/99/99/407599999.db2.gz SUTGYVYIOAABEQ-YNEHKIRRSA-N 1 0 310.419 1.361 10 0 DDAERO CC(C)CC(=O)N[C@@H](C(=O)N1CCC([C@@H](C)[NH3+])CC1)C(C)C ZINC000178866849 407633615 /nfs/dbraw/zinc/63/36/15/407633615.db2.gz GOIXVQJQRORTEF-CZUORRHYSA-N 1 0 311.470 1.759 10 0 DDAERO CCc1cccc2c(CCNC(=O)C3([NH3+])CCOCC3)c[nH]c21 ZINC000261838239 407634007 /nfs/dbraw/zinc/63/40/07/407634007.db2.gz LKSGZKQAZKULCD-UHFFFAOYSA-N 1 0 315.417 1.897 10 0 DDAERO c1csc(-c2noc(-c3ncn([C@@H]4CCC[NH2+]C4)n3)n2)c1 ZINC000261879419 407653589 /nfs/dbraw/zinc/65/35/89/407653589.db2.gz WCQPFMJBKBHWPQ-SECBINFHSA-N 1 0 302.363 1.981 10 0 DDAERO c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)O2 ZINC000261892789 407657409 /nfs/dbraw/zinc/65/74/09/407657409.db2.gz GRDPTHLFOCAQPO-QBPKDAKJSA-N 1 0 302.418 1.737 10 0 DDAERO Cc1nc(CC(C)C)c(C(=O)NC[C@H]2CN(C)CCO2)s1 ZINC000130270824 407670891 /nfs/dbraw/zinc/67/08/91/407670891.db2.gz LQUWXSDVXLJQSN-LBPRGKRZSA-N 1 0 311.451 1.710 10 0 DDAERO C[C@H]1CN(CC(=O)Nc2ccc(Br)cc2)C[C@@H]1[NH3+] ZINC000235651203 407721200 /nfs/dbraw/zinc/72/12/00/407721200.db2.gz DLVRVACPRYTGIY-CABZTGNLSA-N 1 0 312.211 1.667 10 0 DDAERO O[C@H](COCc1ccccc1)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171625508 407721946 /nfs/dbraw/zinc/72/19/46/407721946.db2.gz NVVAZVHAOOYREX-IRXDYDNUSA-N 1 0 316.405 1.493 10 0 DDAERO Cc1cccc(OC[C@H](O)C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116407958 407753599 /nfs/dbraw/zinc/75/35/99/407753599.db2.gz ICWDEGFZFLJMEL-DOTOQJQBSA-N 1 0 315.417 1.958 10 0 DDAERO CNC(=O)[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)C(C)C ZINC000179126995 407731378 /nfs/dbraw/zinc/73/13/78/407731378.db2.gz CKJLZKIYSAVUJM-MRXNPFEDSA-N 1 0 317.433 1.783 10 0 DDAERO Cn1cc([C@@H]2CC[N@H+](CCc3nc4ccccc4c(=O)[nH]3)C2)cn1 ZINC000116320461 407743126 /nfs/dbraw/zinc/74/31/26/407743126.db2.gz QEPRQMOQNVDMRQ-CYBMUJFWSA-N 1 0 323.400 1.689 10 0 DDAERO Cc1cc2oc(=O)cc(C[N@@H+]3C[C@@H](O)C[C@@H]3CO)c2cc1C ZINC000179176145 407745159 /nfs/dbraw/zinc/74/51/59/407745159.db2.gz PJSKSDNCFNSZTJ-KGLIPLIRSA-N 1 0 303.358 1.337 10 0 DDAERO NCc1nc(CN2CC[NH2+]C[C@@H]2c2ccccc2Cl)no1 ZINC000262122948 407745121 /nfs/dbraw/zinc/74/51/21/407745121.db2.gz CHEIZRCOHOPTOU-GFCCVEGCSA-N 1 0 307.785 1.328 10 0 DDAERO COC[C@@H]([NH3+])C(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000262166494 407757142 /nfs/dbraw/zinc/75/71/42/407757142.db2.gz AJSZBFWIAVGBPL-LLVKDONJSA-N 1 0 306.284 1.218 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000262198047 407764071 /nfs/dbraw/zinc/76/40/71/407764071.db2.gz CVOUCQQMMXZHBG-OLZOCXBDSA-N 1 0 314.332 1.755 10 0 DDAERO CC(C)c1cccc(OCC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000116789954 407776683 /nfs/dbraw/zinc/77/66/83/407776683.db2.gz XNNSXCLPZRYHML-QGZVFWFLSA-N 1 0 320.433 1.978 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(F)cc2Cl)CCO1 ZINC000116798140 407780334 /nfs/dbraw/zinc/78/03/34/407780334.db2.gz IBLVKGPHYSONLW-LLVKDONJSA-N 1 0 300.761 1.882 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000262282337 407784124 /nfs/dbraw/zinc/78/41/24/407784124.db2.gz XGNWZIXOKHLYLG-CYBMUJFWSA-N 1 0 300.362 1.662 10 0 DDAERO COC[C@@H]([NH3+])C(=O)NCCC(=O)Nc1cccc(Cl)c1C ZINC000262264308 407778591 /nfs/dbraw/zinc/77/85/91/407778591.db2.gz JSCYJOMJDPDZBN-LLVKDONJSA-N 1 0 313.785 1.067 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2c(C)nn(CCOC)c2C)C1 ZINC000179578238 407810728 /nfs/dbraw/zinc/81/07/28/407810728.db2.gz UUUILQLFVHAXLB-CQSZACIVSA-N 1 0 323.441 1.752 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000262379044 407816428 /nfs/dbraw/zinc/81/64/28/407816428.db2.gz XOWMIAVCKSNQPB-AWEZNQCLSA-N 1 0 319.336 1.712 10 0 DDAERO COC[C@H]([NH3+])C(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000262376357 407816909 /nfs/dbraw/zinc/81/69/09/407816909.db2.gz XGISTVHRAHURKQ-SKDRFNHKSA-N 1 0 304.312 1.726 10 0 DDAERO CCOc1ccc(NC(=O)CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000262393428 407823853 /nfs/dbraw/zinc/82/38/53/407823853.db2.gz BNKYVMXXFCNODW-APHBMKBZSA-N 1 0 303.406 1.693 10 0 DDAERO CC(=O)c1ccccc1NC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000262426378 407831043 /nfs/dbraw/zinc/83/10/43/407831043.db2.gz FKXSMCRLVPHDQI-NWANDNLSSA-N 1 0 301.390 1.497 10 0 DDAERO CN(C)C(=O)c1cc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000172578180 407837879 /nfs/dbraw/zinc/83/78/79/407837879.db2.gz RYXFLQGCFLHZGI-ZDUSSCGKSA-N 1 0 317.393 1.095 10 0 DDAERO [NH3+][C@@H]1CC[C@H]2CN(CC(=O)Nc3ccc4c(c3)OCO4)C[C@@H]12 ZINC000262540385 407862324 /nfs/dbraw/zinc/86/23/24/407862324.db2.gz QZBRCGCOEVNVQY-CYZMBNFOSA-N 1 0 303.362 1.023 10 0 DDAERO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)C1 ZINC000262563751 407868556 /nfs/dbraw/zinc/86/85/56/407868556.db2.gz BDSXCHQNPAKAGR-IHRRRGAJSA-N 1 0 318.421 1.782 10 0 DDAERO [NH3+][C@@H]1CC[C@@H]2CN(c3ccc4nnc(C(F)(F)F)n4n3)C[C@@H]12 ZINC000262579440 407870822 /nfs/dbraw/zinc/87/08/22/407870822.db2.gz YRLDEYTXPRXGRR-IWSPIJDZSA-N 1 0 312.299 1.317 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 ZINC000262577145 407872152 /nfs/dbraw/zinc/87/21/52/407872152.db2.gz TYOFAFSEFQRQTM-HNNXBMFYSA-N 1 0 319.405 1.154 10 0 DDAERO Cc1cnn(CCNC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000118065716 407881926 /nfs/dbraw/zinc/88/19/26/407881926.db2.gz FFJPEUKQNNGZFK-IJEWVQPXSA-N 1 0 321.469 1.857 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2C[C@@]23CCc2ccccc23)CCO1 ZINC000173644278 407891526 /nfs/dbraw/zinc/89/15/26/407891526.db2.gz CYNUQUHCEFGQQY-SZVBFZGTSA-N 1 0 314.429 1.680 10 0 DDAERO CSC[C@@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000187911177 407904877 /nfs/dbraw/zinc/90/48/77/407904877.db2.gz PXUQQHYHJVUMMW-RYUDHWBXSA-N 1 0 304.456 1.699 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2cccc3[nH]ccc32)CCO1 ZINC000118815558 407947419 /nfs/dbraw/zinc/94/74/19/407947419.db2.gz TUCLTKVDEJQOGD-LBPRGKRZSA-N 1 0 302.378 1.962 10 0 DDAERO C[C@@H](C(=O)N1CC(NC(=O)C2CCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000188526325 407953306 /nfs/dbraw/zinc/95/33/06/407953306.db2.gz GBGGGVLQWYXNGN-XQQFMLRXSA-N 1 0 307.438 1.375 10 0 DDAERO CN(CC1(c2ccccc2)CC1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000188539867 407953872 /nfs/dbraw/zinc/95/38/72/407953872.db2.gz FMUSCDUURNYFMB-MRXNPFEDSA-N 1 0 317.433 1.690 10 0 DDAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000262955035 407983217 /nfs/dbraw/zinc/98/32/17/407983217.db2.gz KEBNBSUZKKKSIY-PBHICJAKSA-N 1 0 317.437 1.787 10 0 DDAERO CN(Cc1nccs1)C1CC[NH+](CCn2cccn2)CC1 ZINC000135051612 407966787 /nfs/dbraw/zinc/96/67/87/407966787.db2.gz VBIXFJCKASTUAV-UHFFFAOYSA-N 1 0 305.451 1.936 10 0 DDAERO CC[C@@H]1CN(C(=O)CCCc2nc(C)no2)CC[N@@H+]1C[C@@H](C)O ZINC000174622824 407970659 /nfs/dbraw/zinc/97/06/59/407970659.db2.gz JIQXHXCSYCZRBB-TZMCWYRMSA-N 1 0 324.425 1.004 10 0 DDAERO [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)c1ccccc1OC(F)F ZINC000262748460 407915345 /nfs/dbraw/zinc/91/53/45/407915345.db2.gz MIELCJLMXYAGTA-NXEZZACHSA-N 1 0 320.361 1.694 10 0 DDAERO COC[C@H](C)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188169311 407922156 /nfs/dbraw/zinc/92/21/56/407922156.db2.gz UTWGSMQVGGTCCC-MAUKXSAKSA-N 1 0 320.433 1.364 10 0 DDAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1c(F)cccc1Br ZINC000263149410 408039295 /nfs/dbraw/zinc/03/92/95/408039295.db2.gz CZPTTZKMQAHLRD-QPUJVOFHSA-N 1 0 303.175 1.258 10 0 DDAERO CCc1noc2ncc(-c3nc([C@H]4C[NH2+]CCN4C)no3)cc12 ZINC000263158435 408041473 /nfs/dbraw/zinc/04/14/73/408041473.db2.gz DRBFGWNJNKYPNE-GFCCVEGCSA-N 1 0 314.349 1.411 10 0 DDAERO CC(C)C(=O)N1CCCC[C@@H]1c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263186054 408051424 /nfs/dbraw/zinc/05/14/24/408051424.db2.gz HIXGJOKNKRDJSG-OLZOCXBDSA-N 1 0 321.425 1.355 10 0 DDAERO CO[C@H](C)c1nc(CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cs1 ZINC000245454692 407986229 /nfs/dbraw/zinc/98/62/29/407986229.db2.gz ADYLXRKHYFSSNO-RWMBFGLXSA-N 1 0 313.467 1.737 10 0 DDAERO COC(=O)Cn1cc(CC[NH2+][C@@H](C)c2ccc(C)c(F)c2)nn1 ZINC000181375315 407988185 /nfs/dbraw/zinc/98/81/85/407988185.db2.gz NZFKAZHWYQNCMP-LBPRGKRZSA-N 1 0 320.368 1.792 10 0 DDAERO C[C@@H](CCO)[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCCC1=O ZINC000245534090 408009238 /nfs/dbraw/zinc/00/92/38/408009238.db2.gz JHRWUQFUGLJEKB-RDJZCZTQSA-N 1 0 320.433 1.243 10 0 DDAERO CC(C)(C)OC(=O)CNC(=O)CN1CCO[C@H]2CCCC[C@@H]21 ZINC000181560377 408011801 /nfs/dbraw/zinc/01/18/01/408011801.db2.gz ARRLVIWWXHMEAM-STQMWFEESA-N 1 0 312.410 1.088 10 0 DDAERO CC(C)Oc1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000245584144 408022600 /nfs/dbraw/zinc/02/26/00/408022600.db2.gz IPGFHMIXRQCYIY-AWEZNQCLSA-N 1 0 324.446 1.943 10 0 DDAERO C[C@@H]1C[N@H+](Cc2cccc3c2OCO3)C[C@H]1N1CCOCC1 ZINC000245764093 408064664 /nfs/dbraw/zinc/06/46/64/408064664.db2.gz QIQZVTDBZDUYET-UKRRQHHQSA-N 1 0 304.390 1.568 10 0 DDAERO Cc1ccc(OCCc2nc([C@H]3C[NH2+]CCN3C)no2)c(C)c1 ZINC000263235258 408070480 /nfs/dbraw/zinc/07/04/80/408070480.db2.gz NWJIDDOOLIRQHA-CQSZACIVSA-N 1 0 316.405 1.884 10 0 DDAERO CN1CC[NH2+]C[C@@H]1c1noc(Cc2ccc3c(c2)CCO3)n1 ZINC000263244685 408072662 /nfs/dbraw/zinc/07/26/62/408072662.db2.gz PBZQVPRKOMLZGI-CYBMUJFWSA-N 1 0 300.362 1.171 10 0 DDAERO CCOc1cc(CNC[C@@H]2C[NH2+]C[C@@H]2O)ccc1OCC(C)C ZINC000263253688 408075108 /nfs/dbraw/zinc/07/51/08/408075108.db2.gz QGJKGFRQJGQIIA-CVEARBPZSA-N 1 0 322.449 1.790 10 0 DDAERO CN1CC[NH2+]C[C@H]1c1noc(-c2cc(-c3ccco3)on2)n1 ZINC000263293541 408093209 /nfs/dbraw/zinc/09/32/09/408093209.db2.gz VZPPWEYQLMTZDI-JTQLQIEISA-N 1 0 301.306 1.561 10 0 DDAERO CCCn1nccc1NC(=O)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000154921576 408102626 /nfs/dbraw/zinc/10/26/26/408102626.db2.gz VULQPNFZMSRQGC-STQMWFEESA-N 1 0 321.425 1.077 10 0 DDAERO CCc1nccn1[C@H]1CCC[N@@H+]([C@H](C)CN2CCOCC2)C1 ZINC000245962754 408108375 /nfs/dbraw/zinc/10/83/75/408108375.db2.gz DPDWPBQVLJJLKO-CVEARBPZSA-N 1 0 306.454 1.803 10 0 DDAERO C[C@H]1Cc2ccccc2N1CCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000246040380 408124558 /nfs/dbraw/zinc/12/45/58/408124558.db2.gz XRZNKCXNTQVVCH-GOEBONIOSA-N 1 0 316.449 1.783 10 0 DDAERO C[C@H]([NH2+]C[C@H](O)Cn1cccn1)c1cccc(-n2ccnc2)c1 ZINC000189900430 408132273 /nfs/dbraw/zinc/13/22/73/408132273.db2.gz ZPPJWQYKRDJOAH-YOEHRIQHSA-N 1 0 311.389 1.781 10 0 DDAERO Cn1ccc2cccc(NC(=O)N3CCO[C@@H](C[NH+](C)C)C3)c21 ZINC000190020012 408148312 /nfs/dbraw/zinc/14/83/12/408148312.db2.gz MKAGYLRNZVRALE-AWEZNQCLSA-N 1 0 316.405 1.973 10 0 DDAERO CCC[N@H+](CC)CCNC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000175776878 408205418 /nfs/dbraw/zinc/20/54/18/408205418.db2.gz REKVOBVVGCIYPL-HNNXBMFYSA-N 1 0 307.442 1.999 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)c2ccc(F)cc2)C1 ZINC000246312818 408214641 /nfs/dbraw/zinc/21/46/41/408214641.db2.gz DYZWMBGXXFFMSZ-IUODEOHRSA-N 1 0 321.396 1.400 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000246718950 408321853 /nfs/dbraw/zinc/32/18/53/408321853.db2.gz LGWRZTKFJNFVQU-ILXRZTDVSA-N 1 0 316.401 1.724 10 0 DDAERO CC(=O)Nc1ccc(CN2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000122218119 408267371 /nfs/dbraw/zinc/26/73/71/408267371.db2.gz DXLQNQNMBIGSPW-QGZVFWFLSA-N 1 0 314.389 1.743 10 0 DDAERO O=C([C@H]1OCCc2ccccc21)N1CC[C@H](N2CCOCC2)C1 ZINC000151248268 408283628 /nfs/dbraw/zinc/28/36/28/408283628.db2.gz SHPGAMWEQINTBQ-RDJZCZTQSA-N 1 0 316.401 1.234 10 0 DDAERO COC1CCC([NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000183158421 408339884 /nfs/dbraw/zinc/33/98/84/408339884.db2.gz WHSJAQYPEWXLPG-YMAMQOFZSA-N 1 0 320.437 1.771 10 0 DDAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000183202360 408352926 /nfs/dbraw/zinc/35/29/26/408352926.db2.gz NLCGWCNEURHVAD-MJVIPROJSA-N 1 0 305.378 1.270 10 0 DDAERO CCCC[C@H](COC)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000153778099 162140179 /nfs/dbraw/zinc/14/01/79/162140179.db2.gz QHPHTLUGBGHFSQ-ZIAGYGMSSA-N 1 0 301.431 1.164 10 0 DDAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCCn3ccnc3)C2)n1 ZINC000183175894 408344641 /nfs/dbraw/zinc/34/46/41/408344641.db2.gz GETOMBSYKNZKPD-MRXNPFEDSA-N 1 0 302.426 1.894 10 0 DDAERO CCOCCN1CCN(C(=O)c2ncccc2OCC)C[C@@H]1C ZINC000176418510 408359894 /nfs/dbraw/zinc/35/98/94/408359894.db2.gz YKDNPTZPBAQXNU-AWEZNQCLSA-N 1 0 321.421 1.663 10 0 DDAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CCCO1 ZINC000183225957 408360929 /nfs/dbraw/zinc/36/09/29/408360929.db2.gz YPHUKZVCPJDHSW-BFVZDQMLSA-N 1 0 318.377 1.340 10 0 DDAERO C[NH+](C)CCCCCCCNC(=O)N[C@H]1CCCn2ncnc21 ZINC000176454687 408370065 /nfs/dbraw/zinc/37/00/65/408370065.db2.gz DQJQYTFAIBJQMK-AWEZNQCLSA-N 1 0 322.457 1.924 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2cccc(C(=O)NC)c2)C[C@H]1C ZINC000247001778 408385384 /nfs/dbraw/zinc/38/53/84/408385384.db2.gz OZOHVOXPJMMUNI-OAHLLOKOSA-N 1 0 319.449 1.589 10 0 DDAERO CCSCC[C@H](C)NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000173623280 162351453 /nfs/dbraw/zinc/35/14/53/162351453.db2.gz HUBYCIVBXVJBLC-STQMWFEESA-N 1 0 303.472 1.490 10 0 DDAERO CCc1nccn1[C@H]1CCC[N@H+](CCCN2CCOCC2)C1 ZINC000173698417 162358614 /nfs/dbraw/zinc/35/86/14/162358614.db2.gz KDXIJRAJFYXENJ-INIZCTEOSA-N 1 0 306.454 1.805 10 0 DDAERO O=C(CC[N@@H+]1CC[C@@H](N2CCOCC2)C1)Nc1cccc(F)c1 ZINC000173940876 162380160 /nfs/dbraw/zinc/38/01/60/162380160.db2.gz IEXVOGDMLBQYMF-MRXNPFEDSA-N 1 0 321.396 1.561 10 0 DDAERO C[C@@H](CNC(=O)N1CCC(c2cc[nH]n2)CC1)[N@H+](C)C1CC1 ZINC000159110135 408383271 /nfs/dbraw/zinc/38/32/71/408383271.db2.gz UQUDIMHXKZBXGF-LBPRGKRZSA-N 1 0 305.426 1.781 10 0 DDAERO C[C@@H](C1CC1)N(C(=O)CN1CCO[C@@H](C[NH+](C)C)C1)C1CC1 ZINC000247315479 408449391 /nfs/dbraw/zinc/44/93/91/408449391.db2.gz KNUKANJHWKWPEE-BBRMVZONSA-N 1 0 309.454 1.038 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1ccc(OC)c(Br)c1 ZINC000159981202 408449643 /nfs/dbraw/zinc/44/96/43/408449643.db2.gz ZFZSCMFFHMVIBW-VIFPVBQESA-N 1 0 303.156 1.370 10 0 DDAERO CC(C)[N@H+]1C[C@H](NC(=O)NCC(=O)Nc2ccccc2)[C@@H](C)C1 ZINC000176842634 408458455 /nfs/dbraw/zinc/45/84/55/408458455.db2.gz BXTWLFMORDXXBH-ZFWWWQNUSA-N 1 0 318.421 1.653 10 0 DDAERO COCc1cccc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000247070017 408400077 /nfs/dbraw/zinc/40/00/77/408400077.db2.gz HMRAXVGWYCJMMR-HIFRSBDPSA-N 1 0 324.446 1.690 10 0 DDAERO CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@@H](O)COC(C)(C)C)CC2 ZINC000247104931 408410289 /nfs/dbraw/zinc/41/02/89/408410289.db2.gz VIRDYPHZYNHSEC-QLFBSQMISA-N 1 0 315.454 1.414 10 0 DDAERO CC(C)c1nnc(CCC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)o1 ZINC000176671661 408416236 /nfs/dbraw/zinc/41/62/36/408416236.db2.gz ITCLPNSDVUFRLJ-CYBMUJFWSA-N 1 0 306.410 1.822 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C[C@@H](O)c2c(F)cccc2F)CCO1 ZINC000247161889 408418027 /nfs/dbraw/zinc/41/80/27/408418027.db2.gz MKDJGZFMGVHSSK-BXUZGUMPSA-N 1 0 300.349 1.261 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H](O)COCc1ccccc1F ZINC000247166731 408420227 /nfs/dbraw/zinc/42/02/27/408420227.db2.gz KPBDYYIZFUPIET-PVAVHDDUSA-N 1 0 322.424 1.872 10 0 DDAERO O=C(CN1CC[N@@H+]2CCC[C@H]2C1)N1CCSc2ccccc21 ZINC000247164797 408420963 /nfs/dbraw/zinc/42/09/63/408420963.db2.gz MMMPJDQWKLKWGF-AWEZNQCLSA-N 1 0 317.458 1.905 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2cccc(N(C)C)n2)C1 ZINC000247222494 408430086 /nfs/dbraw/zinc/43/00/86/408430086.db2.gz ZBWXXJSQJCFBPP-UKRRQHHQSA-N 1 0 319.453 1.676 10 0 DDAERO COc1ccc(CNC(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000247214386 408430740 /nfs/dbraw/zinc/43/07/40/408430740.db2.gz MCYBHYNCDYMTAF-HOCLYGCPSA-N 1 0 317.433 1.480 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H](O)COc1ccccc1F ZINC000247255599 408439875 /nfs/dbraw/zinc/43/98/75/408439875.db2.gz NSUQZEHFIRCUSO-RBSFLKMASA-N 1 0 308.397 1.734 10 0 DDAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCC[C@@H](O)C1 ZINC000247492629 408481542 /nfs/dbraw/zinc/48/15/42/408481542.db2.gz UKXJCNWMRYZJGO-BRWVUGGUSA-N 1 0 304.434 1.827 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCSc1n[nH]c(C)n1 ZINC000176984109 408490280 /nfs/dbraw/zinc/49/02/80/408490280.db2.gz IDSMQGVLFZDBHG-LBPRGKRZSA-N 1 0 311.455 1.538 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCS(=O)(=O)c1ccccc1 ZINC000247550033 408491155 /nfs/dbraw/zinc/49/11/55/408491155.db2.gz ZELUDRVHOSPPIM-CABCVRRESA-N 1 0 308.447 1.629 10 0 DDAERO CC(=O)N1CCC(CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000247553482 408491564 /nfs/dbraw/zinc/49/15/64/408491564.db2.gz ZMCIVDZAWKHKBR-CJNGLKHVSA-N 1 0 322.453 1.123 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC000191791544 408494026 /nfs/dbraw/zinc/49/40/26/408494026.db2.gz HLFFDIFNGMAPPE-XPKDYRNWSA-N 1 0 314.389 1.270 10 0 DDAERO O=S(=O)(Cc1ccc(Cl)nc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247601538 408497355 /nfs/dbraw/zinc/49/73/55/408497355.db2.gz UPTFXWRIJMUNHB-LBPRGKRZSA-N 1 0 315.826 1.345 10 0 DDAERO CN(CC[N@@H+]1CCC[C@H]([NH+](C)CC(=O)[O-])CC1)c1ccccc1 ZINC000192016117 408529270 /nfs/dbraw/zinc/52/92/70/408529270.db2.gz PJHLVRVSNCJHPQ-KRWDZBQOSA-N 1 0 319.449 1.994 10 0 DDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2cccc(CO)c2)C1 ZINC000247481570 408478312 /nfs/dbraw/zinc/47/83/12/408478312.db2.gz WDKRPBLTZYVTGX-XJKSGUPXSA-N 1 0 305.422 1.707 10 0 DDAERO COC(=O)c1coc(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000177215288 408555181 /nfs/dbraw/zinc/55/51/81/408555181.db2.gz QPSGUVAXKYDWLR-WFASDCNBSA-N 1 0 308.378 1.219 10 0 DDAERO C[C@@H]1C[N@H+](CC(=O)NCCC(C)(C)C)C[C@@H]1N1CCOCC1 ZINC000177234688 408559678 /nfs/dbraw/zinc/55/96/78/408559678.db2.gz UWFONQFMIVBCQB-CABCVRRESA-N 1 0 311.470 1.191 10 0 DDAERO CCC[C@@H](C(=O)NCc1ccc(-n2cncn2)cc1)[NH+](C)C ZINC000161608182 408619873 /nfs/dbraw/zinc/61/98/73/408619873.db2.gz BJHNGVWPKQITAD-HNNXBMFYSA-N 1 0 301.394 1.614 10 0 DDAERO 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C[NH+](C)C[C@](C)(O)CNc1nnc(Cc2ccccc2F)s1 ZINC000302081904 230086513 /nfs/dbraw/zinc/08/65/13/230086513.db2.gz LSBXXNSUAYRUAZ-OAHLLOKOSA-N 1 0 324.425 1.993 10 0 DDAERO Cc1ncsc1/C=C\C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000492661159 420620093 /nfs/dbraw/zinc/62/00/93/420620093.db2.gz FZZMDVKBLRVKNZ-DFPOMNKCSA-N 1 0 309.435 1.378 10 0 DDAERO CC(C)[NH2+]CCCNc1cnn(C)c(=O)c1Br ZINC000514663881 421444696 /nfs/dbraw/zinc/44/46/96/421444696.db2.gz MTUMRTIHODPXLI-UHFFFAOYSA-N 1 0 303.204 1.343 10 0 DDAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2cc(C3CCCCC3)nn2C)C1 ZINC000583617764 422203334 /nfs/dbraw/zinc/20/33/34/422203334.db2.gz PIAIYFJGPSYJNW-JSGCOSHPSA-N 1 0 306.410 1.783 10 0 DDAERO Cn1ncc(Br)c1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000638875143 423169229 /nfs/dbraw/zinc/16/92/29/423169229.db2.gz GHTKQIMTVVPSPA-VIFPVBQESA-N 1 0 315.215 1.189 10 0 DDAERO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CC(C)(C)C(N)=O)CC1 ZINC000183641241 263381918 /nfs/dbraw/zinc/38/19/18/263381918.db2.gz XUQNBOMZZSXHKQ-GFCCVEGCSA-N 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CO[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NC(=O)Nc2conc2C)C1 ZINC000888718421 709366736 /nfs/dbraw/zinc/36/67/36/709366736.db2.gz FKNWEPNRJGRVQU-SGMGOOAPSA-N 1 0 308.382 1.746 10 0 DDAERO C[NH+]1CCC2(CC(=O)N(Cc3noc([C@H]4CCCO4)n3)C2)CC1 ZINC000095500017 185374830 /nfs/dbraw/zinc/37/48/30/185374830.db2.gz YNLXDYKFFGHBOO-GFCCVEGCSA-N 1 0 320.393 1.365 10 0 DDAERO COc1ccc(C)cc1[C@H]([NH3+])CSCCS(C)(=O)=O ZINC000081769043 192323006 /nfs/dbraw/zinc/32/30/06/192323006.db2.gz ZJISCRMBNZMWOQ-GFCCVEGCSA-N 1 0 303.449 1.781 10 0 DDAERO CCC[NH2+][C@@H]1CCC2(C[C@H]1SCC(=O)OCC)OCCO2 ZINC000081795586 192324101 /nfs/dbraw/zinc/32/41/01/192324101.db2.gz KBDUEWWHSXSYOH-CHWSQXEVSA-N 1 0 317.451 1.947 10 0 DDAERO C[NH2+][C@@H]1c2ccc(OC)cc2CC[C@H]1Sc1nnnn1C ZINC000081844757 192331748 /nfs/dbraw/zinc/33/17/48/192331748.db2.gz UWSGVCLIAAVTFU-CHWSQXEVSA-N 1 0 305.407 1.586 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](CO)Cc2ccccc2C)C1 ZINC000248837056 282110629 /nfs/dbraw/zinc/11/06/29/282110629.db2.gz MPQPYDRYYJCPCL-DLBZAZTESA-N 1 0 319.449 1.682 10 0 DDAERO Cc1ccc(S(=O)(=O)[C@H]2CC3(CC[C@H]2[NH3+])OCCO3)cc1 ZINC000081920872 192339164 /nfs/dbraw/zinc/33/91/64/192339164.db2.gz FTLCNUMISVFRTN-KGLIPLIRSA-N 1 0 311.403 1.392 10 0 DDAERO CN(CC[N@H+](C)CCO)Cc1ccc(Br)c(F)c1 ZINC000623091063 365651838 /nfs/dbraw/zinc/65/18/38/365651838.db2.gz MXSLGUUFLCZDAR-UHFFFAOYSA-N 1 0 319.218 1.944 10 0 DDAERO CCCOc1ccc([C@H](CS(=O)(=O)CCOC)[NH2+]C)cc1 ZINC000081943172 192344626 /nfs/dbraw/zinc/34/46/26/192344626.db2.gz GLFFSNYIPJPIMB-HNNXBMFYSA-N 1 0 315.435 1.797 10 0 DDAERO C[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)[C@H](C(=O)OC)C1 ZINC000079025976 185147327 /nfs/dbraw/zinc/14/73/27/185147327.db2.gz BGXMDTSDUZOVKO-KGLIPLIRSA-N 1 0 306.362 1.549 10 0 DDAERO C[NH2+][C@@H]1CCOC[C@H]1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000081962168 192345433 /nfs/dbraw/zinc/34/54/33/192345433.db2.gz YLFPYEDWIZOALS-VXGBXAGGSA-N 1 0 307.774 1.630 10 0 DDAERO CC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000087386214 185223324 /nfs/dbraw/zinc/22/33/24/185223324.db2.gz VPSPYEIITBAXQN-LBPRGKRZSA-N 1 0 300.424 1.737 10 0 DDAERO COc1ccc(CN2CCC([N@@H+]3CCO[C@H](C)C3)CC2)nn1 ZINC000328693883 231311335 /nfs/dbraw/zinc/31/13/35/231311335.db2.gz SHDYLSPVQHGLRE-CYBMUJFWSA-N 1 0 306.410 1.170 10 0 DDAERO Cc1nn(C)cc1-c1csc(C(C)(C)N2CC[NH2+]CC2)n1 ZINC000087410473 185224316 /nfs/dbraw/zinc/22/43/16/185224316.db2.gz GBKNKXXETLEGAD-UHFFFAOYSA-N 1 0 305.451 1.992 10 0 DDAERO CCNS(=O)(=O)c1ccccc1NC(=O)[C@@H](C[NH3+])C(C)C ZINC000087519466 185227423 /nfs/dbraw/zinc/22/74/23/185227423.db2.gz KDPBODVBWNEQNQ-NSHDSACASA-N 1 0 313.423 1.154 10 0 DDAERO CC[NH2+][C@](C)(CCO)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000087564376 185228516 /nfs/dbraw/zinc/22/85/16/185228516.db2.gz CYVLONUDDJXHSY-CQSZACIVSA-N 1 0 300.424 1.144 10 0 DDAERO O=C(C[C@H]1CCCCNC1=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000328781383 231341383 /nfs/dbraw/zinc/34/13/83/231341383.db2.gz MVGLYGZJWNGAHB-CQSZACIVSA-N 1 0 323.437 1.456 10 0 DDAERO C[NH2+][C@@H]1c2ccccc2CCC[C@H]1S(=O)(=O)CC(=O)OC ZINC000081975617 192347711 /nfs/dbraw/zinc/34/77/11/192347711.db2.gz FPFZFZKWGBNOLZ-UKRRQHHQSA-N 1 0 311.403 1.240 10 0 DDAERO CC[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)S(=O)(=O)CC(=O)OC ZINC000081976583 192347827 /nfs/dbraw/zinc/34/78/27/192347827.db2.gz PXXQWPWZOZZIGH-SWLSCSKDSA-N 1 0 313.419 1.622 10 0 DDAERO NNc1nc(NCc2nccs2)c(Br)c[nH+]1 ZINC000087865908 185233879 /nfs/dbraw/zinc/23/38/79/185233879.db2.gz LXPAMAZBSVJFBM-UHFFFAOYSA-N 1 0 301.173 1.593 10 0 DDAERO CCC(CC)(CO)Nc1nc(NN)[nH+]cc1Br ZINC000087869679 185234138 /nfs/dbraw/zinc/23/41/38/185234138.db2.gz YVPFGAOFWMXNHL-UHFFFAOYSA-N 1 0 304.192 1.488 10 0 DDAERO COCC[NH2+]Cc1c(Cl)cccc1N1CCCNC(=O)C1 ZINC000087885129 185234410 /nfs/dbraw/zinc/23/44/10/185234410.db2.gz DMCCZUGXKIKIGP-UHFFFAOYSA-N 1 0 311.813 1.402 10 0 DDAERO CC[NH2+][C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1S(=O)(=O)CC(=O)OC ZINC000081976166 192348013 /nfs/dbraw/zinc/34/80/13/192348013.db2.gz WXYJRRHROIDTAI-UPJWGTAASA-N 1 0 319.467 1.767 10 0 DDAERO CCc1ccc([C@@H]([NH2+]C)[C@H](C)S(=O)(=O)CC(=O)OC)cc1 ZINC000081976732 192348057 /nfs/dbraw/zinc/34/80/57/192348057.db2.gz HUYWFYIHKJXOLF-NHYWBVRUSA-N 1 0 313.419 1.486 10 0 DDAERO CC1(C)C[NH2+]CCN1S(=O)(=O)c1ccc(F)c(F)c1F ZINC000088139489 185240739 /nfs/dbraw/zinc/24/07/39/185240739.db2.gz OQEQQXTUZWWWDP-UHFFFAOYSA-N 1 0 308.325 1.476 10 0 DDAERO O=C1CCCN1C[C@H](O)C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000179740548 539234818 /nfs/dbraw/zinc/23/48/18/539234818.db2.gz BBDFXDMYIOIULO-CVEARBPZSA-N 1 0 306.406 1.073 10 0 DDAERO O=S(=O)(C[C@@H]1CCC[NH2+]1)N1CCC(C(F)(F)F)CC1 ZINC000088433063 185249689 /nfs/dbraw/zinc/24/96/89/185249689.db2.gz GWCCTLLZDFBNNM-JTQLQIEISA-N 1 0 300.346 1.343 10 0 DDAERO O=C(Nc1cnc(Br)cn1)[C@@H]1CC12CC[NH2+]CC2 ZINC000088446399 185251118 /nfs/dbraw/zinc/25/11/18/185251118.db2.gz HPFVABMZVNMTCO-QMMMGPOBSA-N 1 0 311.183 1.567 10 0 DDAERO [NH3+]CCc1ccc(C(=O)Nc2cnc(Br)cn2)cc1 ZINC000088446356 185251199 /nfs/dbraw/zinc/25/11/99/185251199.db2.gz DGXPGFUSMLSTRD-UHFFFAOYSA-N 1 0 321.178 1.993 10 0 DDAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2(C)C)o1 ZINC000088544318 185256736 /nfs/dbraw/zinc/25/67/36/185256736.db2.gz HGDKABSPFJSHGG-UHFFFAOYSA-N 1 0 316.423 1.577 10 0 DDAERO C[NH2+][C@H](CS(=O)(=O)CCCOC)c1ccc(OC)cc1 ZINC000081985130 192349139 /nfs/dbraw/zinc/34/91/39/192349139.db2.gz ZDLKLNLMFDSNTQ-CQSZACIVSA-N 1 0 301.408 1.407 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCC(COC)CC2)o1 ZINC000088551156 185257517 /nfs/dbraw/zinc/25/75/17/185257517.db2.gz UBRSVNPPQKNOJV-UHFFFAOYSA-N 1 0 302.396 1.046 10 0 DDAERO COc1cc(C[C@H](C)[NH3+])cc(Cl)c1OCc1ncnn1C ZINC000088582615 185258484 /nfs/dbraw/zinc/25/84/84/185258484.db2.gz NEMLHZKFASNICW-VIFPVBQESA-N 1 0 310.785 1.946 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1sc2nccnc2c1N ZINC000088639623 185260713 /nfs/dbraw/zinc/26/07/13/185260713.db2.gz JXRPASSXOXBNQD-SECBINFHSA-N 1 0 305.407 1.488 10 0 DDAERO Cc1nnc2sc(C(=O)NC[C@H](C)[NH+](C)C)c(N)c2c1C ZINC000088642585 185261299 /nfs/dbraw/zinc/26/12/99/185261299.db2.gz JYGAWGKSPDBMTR-ZETCQYMHSA-N 1 0 307.423 1.570 10 0 DDAERO CC[C@@H](C(N)=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195250179 539263269 /nfs/dbraw/zinc/26/32/69/539263269.db2.gz YTYXNGNWWHIPDR-OLZOCXBDSA-N 1 0 310.467 1.469 10 0 DDAERO NC(=O)[C@@H]1C[NH2+]CCN1c1ncc(C(F)(F)F)cc1Cl ZINC000088673904 185262094 /nfs/dbraw/zinc/26/20/94/185262094.db2.gz AZHUGZWBIOYKLU-QMMMGPOBSA-N 1 0 308.691 1.017 10 0 DDAERO CC(C)(C)[NH2+]CCc1nnc([C@H]2CCS(=O)(=O)C2)s1 ZINC000088823829 185266513 /nfs/dbraw/zinc/26/65/13/185266513.db2.gz QCUNKPSMHXKOEM-VIFPVBQESA-N 1 0 303.453 1.371 10 0 DDAERO CC[NH2+][C@H](CS(=O)(=O)CCCOC)c1ccc(OC)cc1 ZINC000081986480 192349744 /nfs/dbraw/zinc/34/97/44/192349744.db2.gz JLPAMPRVSBRWRJ-OAHLLOKOSA-N 1 0 315.435 1.797 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000253552341 282216771 /nfs/dbraw/zinc/21/67/71/282216771.db2.gz GYZZUZOUVPKLSL-BXUZGUMPSA-N 1 0 314.389 1.794 10 0 DDAERO OC[C@@H](O)C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000090281925 185289445 /nfs/dbraw/zinc/28/94/45/185289445.db2.gz XZRRCLQXRGRXDM-JQWIXIFHSA-N 1 0 316.195 1.606 10 0 DDAERO O=C(c1ccccc1Br)N1CCN(C2C[NH2+]C2)CC1 ZINC000090306924 185290290 /nfs/dbraw/zinc/29/02/90/185290290.db2.gz ZQACCLYLKONCPN-UHFFFAOYSA-N 1 0 324.222 1.179 10 0 DDAERO Clc1ccc2c(c1)nccc2N1CCN(C2C[NH2+]C2)CC1 ZINC000090308022 185290301 /nfs/dbraw/zinc/29/03/01/185290301.db2.gz KJFNJODAMUABQF-UHFFFAOYSA-N 1 0 302.809 1.982 10 0 DDAERO Cc1sc2ncnc(N3CCN(C4C[NH2+]C4)CC3)c2c1C ZINC000090307932 185290369 /nfs/dbraw/zinc/29/03/69/185290369.db2.gz BUNMSZIJXQGYHC-UHFFFAOYSA-N 1 0 303.435 1.402 10 0 DDAERO CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1S(=O)(=O)CC(=O)OCC ZINC000082009988 192353596 /nfs/dbraw/zinc/35/35/96/192353596.db2.gz BIUICHCOLBYALO-MJBXVCDLSA-N 1 0 319.467 1.911 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NC(=O)c1cncc(Br)c1 ZINC000090311645 185290572 /nfs/dbraw/zinc/29/05/72/185290572.db2.gz ULXPSSJGJDKJEL-MXWKQRLJSA-N 1 0 314.183 1.079 10 0 DDAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1Cc1cc(=O)n2ccsc2n1 ZINC000090332637 185291675 /nfs/dbraw/zinc/29/16/75/185291675.db2.gz RQNUFCNGVWGWQM-KGYLQXTDSA-N 1 0 304.419 1.186 10 0 DDAERO Cc1cc(F)ccc1S(=O)(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000090336864 185291866 /nfs/dbraw/zinc/29/18/66/185291866.db2.gz RKUFVRYBMKNSQC-YPMHNXCESA-N 1 0 312.410 1.753 10 0 DDAERO Cc1ccc(F)cc1S(=O)(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000090336736 185292021 /nfs/dbraw/zinc/29/20/21/185292021.db2.gz YSENEVILPSDVFT-AAEUAGOBSA-N 1 0 312.410 1.753 10 0 DDAERO CC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000090489821 185299069 /nfs/dbraw/zinc/29/90/69/185299069.db2.gz ZNKPTJHHZJMJMY-YPMHNXCESA-N 1 0 311.813 1.969 10 0 DDAERO C[C@H](NC(=O)[C@@H]1COC[C@@H]1[NH3+])c1cccc(Br)c1 ZINC000090379712 185293727 /nfs/dbraw/zinc/29/37/27/185293727.db2.gz KIOQLXSFWSWGJA-AXTRIDKLSA-N 1 0 313.195 1.600 10 0 DDAERO CC(C)[C@@H](CO)[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000092400382 185315802 /nfs/dbraw/zinc/31/58/02/185315802.db2.gz BSSYZLCNLCIEEN-LSDHHAIUSA-N 1 0 301.814 1.824 10 0 DDAERO CC(C)[C@@H](CO)[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000092400385 185315948 /nfs/dbraw/zinc/31/59/48/185315948.db2.gz BSSYZLCNLCIEEN-HUUCEWRRSA-N 1 0 301.814 1.824 10 0 DDAERO CCc1nn(CCS(=O)(=O)CC)c(CC)c1CC[NH2+]C ZINC000092323587 185312275 /nfs/dbraw/zinc/31/22/75/185312275.db2.gz ZWCXGMMBFZFXKP-UHFFFAOYSA-N 1 0 301.456 1.205 10 0 DDAERO CN(CC(=O)Nc1ccc(Cl)c(N)c1)C[C@H]1CCC[N@@H+]1C ZINC000092621879 185329865 /nfs/dbraw/zinc/32/98/65/185329865.db2.gz LJFWIKYMAKSXNS-GFCCVEGCSA-N 1 0 310.829 1.887 10 0 DDAERO CCC(CC)[C@H](C(=O)N[C@H]1CCC[NH2+][C@@H]1C)N1CCOCC1 ZINC000193568156 282257145 /nfs/dbraw/zinc/25/71/45/282257145.db2.gz KLOZEWNGGMBKCN-VNQPRFMTSA-N 1 0 311.470 1.380 10 0 DDAERO COc1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)c(C)c1F ZINC000181674800 199336639 /nfs/dbraw/zinc/33/66/39/199336639.db2.gz CFAPDBJAZRPCFV-LLVKDONJSA-N 1 0 316.398 1.467 10 0 DDAERO C[C@H]([NH2+]CCSc1nnc(N(C)C)s1)[C@@H]1CCCO1 ZINC000111317299 185581587 /nfs/dbraw/zinc/58/15/87/185581587.db2.gz FYILEZJDHBOLLH-UWVGGRQHSA-N 1 0 302.469 1.853 10 0 DDAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1ccnc(Cl)c1 ZINC000181859540 199363027 /nfs/dbraw/zinc/36/30/27/199363027.db2.gz BZUDXWSRWQYPJM-GFCCVEGCSA-N 1 0 312.801 1.703 10 0 DDAERO Cc1[nH+]ccc(N2CCS(=O)(=O)CC2)c1Br ZINC000667362472 539561120 /nfs/dbraw/zinc/56/11/20/539561120.db2.gz ZFPHBCUWILHHOY-UHFFFAOYSA-N 1 0 305.197 1.387 10 0 DDAERO CCCCS(=O)(=O)N[C@H]1CC[NH2+]CC[C@@H]1C(F)(F)F ZINC000725262936 539570159 /nfs/dbraw/zinc/57/01/59/539570159.db2.gz UPTOSKLYKHBRHO-UWVGGRQHSA-N 1 0 302.362 1.636 10 0 DDAERO C[C@H]([NH3+])[C@H](n1cc(I)cn1)C(F)(F)F ZINC000070677211 190910564 /nfs/dbraw/zinc/91/05/64/190910564.db2.gz VALGUFQPENQPLU-NJGYIYPDSA-N 1 0 319.068 1.938 10 0 DDAERO CCCN(c1ccc(S(=O)(=O)NCC)cc1)[C@@H]1CC[NH2+]C1 ZINC000071332806 190959077 /nfs/dbraw/zinc/95/90/77/190959077.db2.gz LPMBAWBIUIJMMD-CQSZACIVSA-N 1 0 311.451 1.563 10 0 DDAERO C[C@@H]1CCC[NH2+][C@H]1CNS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000071339102 190959611 /nfs/dbraw/zinc/95/96/11/190959611.db2.gz YGYSTHIFZLDYHF-WBMJQRKESA-N 1 0 308.447 1.842 10 0 DDAERO CC(C)C[C@H]1CN(CCS(C)(=O)=O)[C@H](C(C)(C)C)C[NH2+]1 ZINC000071351373 190961994 /nfs/dbraw/zinc/96/19/94/190961994.db2.gz MYJDQINHQNYXPB-KBPBESRZSA-N 1 0 304.500 1.766 10 0 DDAERO NC(=[NH2+])CC1(Cn2cc(I)cn2)CC1 ZINC000083856226 192387750 /nfs/dbraw/zinc/38/77/50/192387750.db2.gz FGSAYCZBJABFHT-UHFFFAOYSA-N 1 0 304.135 1.594 10 0 DDAERO C[C@@H]([NH3+])CCCC[S@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084055476 192397343 /nfs/dbraw/zinc/39/73/43/192397343.db2.gz DVQAJYVLOWSECY-ADLMAVQZSA-N 1 0 303.449 1.715 10 0 DDAERO CC[NH+](CC)CCCCN(CCC(=O)OC)C(=O)COC ZINC000071634999 190995055 /nfs/dbraw/zinc/99/50/55/190995055.db2.gz RJBSUANIPVJSTE-UHFFFAOYSA-N 1 0 302.415 1.147 10 0 DDAERO CCOc1cccc(CCNC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000155710561 186105425 /nfs/dbraw/zinc/10/54/25/186105425.db2.gz IQLPSNRACJUNTM-OAHLLOKOSA-N 1 0 305.422 1.973 10 0 DDAERO COc1ccc(CCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000171907078 198006430 /nfs/dbraw/zinc/00/64/30/198006430.db2.gz NWRBYYVBHLHALG-AWEZNQCLSA-N 1 0 321.396 1.866 10 0 DDAERO Cc1ccccc1CCNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000172046847 198030266 /nfs/dbraw/zinc/03/02/66/198030266.db2.gz CXTMYCYCZXNMBS-MRXNPFEDSA-N 1 0 305.422 1.510 10 0 DDAERO CN(CC[C@@H](O)c1ccccc1)c1ncnc2c1CC[NH2+]CC2 ZINC000072479967 191181537 /nfs/dbraw/zinc/18/15/37/191181537.db2.gz DAKZQJNNOMKDHH-QGZVFWFLSA-N 1 0 312.417 1.725 10 0 DDAERO CCCS(=O)(=O)N1C[C@@H](C[NH+](C)C)C2(C1)CCOCC2 ZINC000097942823 353920973 /nfs/dbraw/zinc/92/09/73/353920973.db2.gz NCCHEAWCTYYYOT-CYBMUJFWSA-N 1 0 304.456 1.016 10 0 DDAERO CCOC(=O)c1c(C)c[nH]c1CC(=O)NCC[NH+]1CCCC1 ZINC000113221728 353977220 /nfs/dbraw/zinc/97/72/20/353977220.db2.gz RQIBLOJJZOBXDC-UHFFFAOYSA-N 1 0 307.394 1.254 10 0 DDAERO C[NH+](C)C[C@H](NC(=O)COC[C@@H]1CCCO1)c1ccccc1 ZINC000126309173 354053341 /nfs/dbraw/zinc/05/33/41/354053341.db2.gz DDKHMRULQUDZAF-HOTGVXAUSA-N 1 0 306.406 1.601 10 0 DDAERO C[C@@H](C[NH3+])Cn1cc(Br)cc(Br)c1=O ZINC000163982263 354246833 /nfs/dbraw/zinc/24/68/33/354246833.db2.gz SEANAFCRFQRWJO-LURJTMIESA-N 1 0 324.016 1.968 10 0 DDAERO O=[S@](CC[NH2+]C[C@@H](O)COc1ccccc1)c1ccccc1 ZINC000169345700 354251775 /nfs/dbraw/zinc/25/17/75/354251775.db2.gz LQPGNTVTIGBWIQ-IVZQSRNASA-N 1 0 319.426 1.824 10 0 DDAERO CN1CCO[C@H](C[NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000122874900 283025111 /nfs/dbraw/zinc/02/51/11/283025111.db2.gz VEDJUXAMZSZBKL-RDBSUJKOSA-N 1 0 313.442 1.352 10 0 DDAERO CSC[C@H](C)C(=O)N1CCO[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000328653148 354559194 /nfs/dbraw/zinc/55/91/94/354559194.db2.gz WTUJECOYMPMLGZ-JSGCOSHPSA-N 1 0 300.468 1.555 10 0 DDAERO CC(C)(C)OC(=O)N1CCN(c2cc3c(nn2)CC[NH2+]C3)CC1 ZINC000584881392 354787571 /nfs/dbraw/zinc/78/75/71/354787571.db2.gz IISOLVBYOCPYPU-UHFFFAOYSA-N 1 0 319.409 1.179 10 0 DDAERO CCC[C@H]([NH3+])C(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000236812044 202021427 /nfs/dbraw/zinc/02/14/27/202021427.db2.gz DBGPJGLMXSTHDL-ZFWWWQNUSA-N 1 0 309.454 1.611 10 0 DDAERO CC[C@H]1Oc2ccccc2N(CCC(=O)NCC[NH+](C)C)C1=O ZINC000075217830 191443001 /nfs/dbraw/zinc/44/30/01/191443001.db2.gz KMDSMIPUGIWATO-CQSZACIVSA-N 1 0 319.405 1.259 10 0 DDAERO CCOC(=O)[C@@H]1CSCCN1C(=O)CC[C@H](CC)CC[NH3+] ZINC000079209847 191940576 /nfs/dbraw/zinc/94/05/76/191940576.db2.gz DVSUMEANVUHUFJ-STQMWFEESA-N 1 0 316.467 1.649 10 0 DDAERO [NH3+]CCc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)s1 ZINC000080157075 192006722 /nfs/dbraw/zinc/00/67/22/192006722.db2.gz LHBPRYXANIFPLC-HOSYDEDBSA-N 1 0 300.449 1.716 10 0 DDAERO Cc1csc([C@H](C)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)n1 ZINC000080273221 192019393 /nfs/dbraw/zinc/01/93/93/192019393.db2.gz RXQMCZCVKYZDKS-GWCFXTLKSA-N 1 0 305.403 1.904 10 0 DDAERO CC(C)C[NH2+]CCCN1CCn2c(nnc2C(F)(F)F)C1 ZINC000081533620 192284268 /nfs/dbraw/zinc/28/42/68/192284268.db2.gz NOTIXKRZWKTHNC-UHFFFAOYSA-N 1 0 305.348 1.748 10 0 DDAERO C[C@H](C[NH2+]C1CC1)CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000081538299 192286098 /nfs/dbraw/zinc/28/60/98/192286098.db2.gz GTXQCVHFJKYCOF-SECBINFHSA-N 1 0 303.332 1.501 10 0 DDAERO C[C@H]([NH3+])c1csc(N2CCn3c(nnc3C(F)(F)F)C2)n1 ZINC000081543983 192287580 /nfs/dbraw/zinc/28/75/80/192287580.db2.gz RJGVWNXGSGAHLJ-LURJTMIESA-N 1 0 318.328 1.793 10 0 DDAERO C[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cnc(N)c(Cl)c1 ZINC000081694118 192314599 /nfs/dbraw/zinc/31/45/99/192314599.db2.gz GFXHNZYVXSHZKH-SECBINFHSA-N 1 0 318.830 1.080 10 0 DDAERO COc1cc(Cl)c([C@@H]([NH3+])[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000086020234 192543996 /nfs/dbraw/zinc/54/39/96/192543996.db2.gz MIGHLRJOZSVYIJ-SDBXPKJASA-N 1 0 319.810 1.792 10 0 DDAERO [NH3+][C@@H](c1cc2c(cc1Cl)OCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000086020213 192544813 /nfs/dbraw/zinc/54/48/13/192544813.db2.gz BGYSMPHDPOCLGZ-ISVAXAHUSA-N 1 0 317.794 1.546 10 0 DDAERO CCC[C@H]1CN([C@@H]2CCCS(=O)(=O)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086266062 192558046 /nfs/dbraw/zinc/55/80/46/192558046.db2.gz IENSGZCICXTOEX-ZNMIVQPWSA-N 1 0 302.484 1.662 10 0 DDAERO CCN(CC)C(=O)C1(NC(=O)[C@H]2CC[C@H]([NH3+])C2)CCCCC1 ZINC000236998706 202114341 /nfs/dbraw/zinc/11/43/41/202114341.db2.gz SVFVYMXUXWVNOQ-KBPBESRZSA-N 1 0 309.454 1.801 10 0 DDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](O)c1ccc(OC(C)C)cc1 ZINC000237075606 202145384 /nfs/dbraw/zinc/14/53/84/202145384.db2.gz XAAGXMZSEWXSLH-APHBMKBZSA-N 1 0 308.422 1.997 10 0 DDAERO COC(=O)[C@H](C)[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000237107624 202156053 /nfs/dbraw/zinc/15/60/53/202156053.db2.gz OABNRSJANOGWRC-NGFQHRJXSA-N 1 0 304.390 1.780 10 0 DDAERO C[NH2+]Cc1ccc(CS(=O)(=O)N(C)CC(F)(F)F)cc1 ZINC000088971334 192674786 /nfs/dbraw/zinc/67/47/86/192674786.db2.gz BYCCRDYAPSWJKQ-UHFFFAOYSA-N 1 0 310.341 1.730 10 0 DDAERO CC1CCC(N(C)S(=O)(=O)c2cnn(CC[NH3+])c2)CC1 ZINC000088993822 192687248 /nfs/dbraw/zinc/68/72/48/192687248.db2.gz NRCUETWQAPPVSX-UHFFFAOYSA-N 1 0 300.428 1.041 10 0 DDAERO CCCN(CC1CC1)S(=O)(=O)c1ccc(OCC[NH3+])cc1 ZINC000088994613 192687622 /nfs/dbraw/zinc/68/76/22/192687622.db2.gz NRTKRTFKEYILKM-UHFFFAOYSA-N 1 0 312.435 1.835 10 0 DDAERO COCCN(C1CC1)S(=O)(=O)c1ccc(CCC[NH3+])cc1 ZINC000088997450 192688280 /nfs/dbraw/zinc/68/82/80/192688280.db2.gz MLMCXWZWUIDEKT-UHFFFAOYSA-N 1 0 312.435 1.377 10 0 DDAERO CN1CCc2ccc(NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc21 ZINC000180219084 199132066 /nfs/dbraw/zinc/13/20/66/199132066.db2.gz AXGHUQCJPXUCDL-OAHLLOKOSA-N 1 0 300.406 1.991 10 0 DDAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(S(C)(=O)=O)cc1 ZINC000180591296 199181069 /nfs/dbraw/zinc/18/10/69/199181069.db2.gz LSILVVDKXSPCKL-AAEUAGOBSA-N 1 0 320.418 1.347 10 0 DDAERO C[C@@H](CN1CCOCC1)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000180612722 199184710 /nfs/dbraw/zinc/18/47/10/199184710.db2.gz NILUSCVGVRZYKN-AWEZNQCLSA-N 1 0 305.426 1.074 10 0 DDAERO C[C@H]1CN(c2ccc(I)cn2)C[C@@H]1C[NH3+] ZINC000600864019 358331880 /nfs/dbraw/zinc/33/18/80/358331880.db2.gz VJIRNXPCGHZMLD-IUCAKERBSA-N 1 0 317.174 1.717 10 0 DDAERO COc1cccc(C[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)n1 ZINC000237417930 202259336 /nfs/dbraw/zinc/25/93/36/202259336.db2.gz HDZQAFJIVQJDLH-CYBMUJFWSA-N 1 0 301.394 1.910 10 0 DDAERO CC[C@H]1CN(C(=O)c2cccc(N(C)C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000180750000 199204873 /nfs/dbraw/zinc/20/48/73/199204873.db2.gz ZCRMSDUJYWRQGB-ZBFHGGJFSA-N 1 0 319.449 1.670 10 0 DDAERO C[C@@H]1[C@@H](C)CCCN1S(=O)(=O)N(C)CCC[NH2+]C1CC1 ZINC000089022233 192701369 /nfs/dbraw/zinc/70/13/69/192701369.db2.gz LFGIUJZUKSRCGB-QWHCGFSZSA-N 1 0 303.472 1.426 10 0 DDAERO Cc1cc(C[C@H](C[NH2+]C2CC2)[C@@H]2CCS(=O)(=O)C2)n(C)n1 ZINC000089205614 192742266 /nfs/dbraw/zinc/74/22/66/192742266.db2.gz TVBCRALDFXOIBW-CHWSQXEVSA-N 1 0 311.451 1.074 10 0 DDAERO Cc1nn(C)c(CN(CC[NH3+])CC(C)C)c1Br ZINC000089234383 192747945 /nfs/dbraw/zinc/74/79/45/192747945.db2.gz HMTFPYDXHQPVHK-UHFFFAOYSA-N 1 0 303.248 1.908 10 0 DDAERO CCc1nn(C)c(CN2CCC[C@H]2C[NH2+]C)c1Br ZINC000089320527 192767210 /nfs/dbraw/zinc/76/72/10/192767210.db2.gz XCXXWLOFAGUYSJ-JTQLQIEISA-N 1 0 315.259 1.929 10 0 DDAERO CC[C@H](C)NC(=O)[C@H](C)Sc1nnnn1CC[NH2+]C(C)C ZINC000089687510 192842406 /nfs/dbraw/zinc/84/24/06/192842406.db2.gz JLQZLQHBBRTXRG-QWRGUYRKSA-N 1 0 314.459 1.066 10 0 DDAERO O=C(Nc1ccc(OC2COC2)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000187149110 200068023 /nfs/dbraw/zinc/06/80/23/200068023.db2.gz LVLBXRQHRBAIHK-CQSZACIVSA-N 1 0 317.389 1.776 10 0 DDAERO Cc1cnccc1CNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000188253589 200217468 /nfs/dbraw/zinc/21/74/68/200217468.db2.gz URDCOBOELFBHBD-HNNXBMFYSA-N 1 0 306.410 1.036 10 0 DDAERO Cc1cnc2c(cccc2S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000237907326 202388568 /nfs/dbraw/zinc/38/85/68/202388568.db2.gz RFUIIQBCZFYERL-KGLIPLIRSA-N 1 0 319.430 1.949 10 0 DDAERO O=C(Nc1cccc(CN2CCOCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000195188432 201356556 /nfs/dbraw/zinc/35/65/56/201356556.db2.gz NCDKZZWHXPNIIU-HNNXBMFYSA-N 1 0 303.406 1.457 10 0 DDAERO CC[NH2+]Cc1cnn([C@H]2CCS(=O)(=O)C2)c1C(F)(F)F ZINC000091336152 193043522 /nfs/dbraw/zinc/04/35/22/193043522.db2.gz BPJVJJPOHFXMHI-VIFPVBQESA-N 1 0 311.329 1.371 10 0 DDAERO C[C@]1(NC[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CCS(=O)(=O)C1 ZINC000091362667 193046766 /nfs/dbraw/zinc/04/67/66/193046766.db2.gz YTYMGVFUMUBDNL-AJNGGQMLSA-N 1 0 300.468 1.464 10 0 DDAERO C[NH+](C)[C@@H]1CCCN(c2ncc(Br)cc2CO)C1 ZINC000091392423 193050862 /nfs/dbraw/zinc/05/08/62/193050862.db2.gz AASOFVAZPMJAJV-GFCCVEGCSA-N 1 0 314.227 1.867 10 0 DDAERO Cc1nn(C)c(CC(=O)C(C)(C)[NH+](C)C)c1Br ZINC000091528098 193069852 /nfs/dbraw/zinc/06/98/52/193069852.db2.gz KAGFOEQLNDLCTP-UHFFFAOYSA-N 1 0 302.216 1.943 10 0 DDAERO CCc1nn(C)c(C[C@@H](O)C[NH2+]CC(C)C)c1Br ZINC000091468188 193060743 /nfs/dbraw/zinc/06/07/43/193060743.db2.gz VQYYRYOSBXRKKS-SNVBAGLBSA-N 1 0 318.259 1.894 10 0 DDAERO C[NH2+]CC1CC(Oc2ccccc2S(=O)(=O)NC2CC2)C1 ZINC000091475299 193061223 /nfs/dbraw/zinc/06/12/23/193061223.db2.gz KJKVPKYOGXSFLY-UHFFFAOYSA-N 1 0 310.419 1.504 10 0 DDAERO Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[NH2+][C@@H](C)CN1 ZINC000091480301 193061918 /nfs/dbraw/zinc/06/19/18/193061918.db2.gz PJWSLSBTGGTMDF-CABZTGNLSA-N 1 0 301.312 1.902 10 0 DDAERO CSC1(C[NH3+])CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000091476809 193062301 /nfs/dbraw/zinc/06/23/01/193062301.db2.gz PABWZNJQUYULIE-UHFFFAOYSA-N 1 0 314.476 1.840 10 0 DDAERO CN(CCC[NH+](C)C)S(=O)(=O)c1c[nH]c2cc(N)ccc21 ZINC000091502015 193065203 /nfs/dbraw/zinc/06/52/03/193065203.db2.gz VTMAJJFJXICLCX-UHFFFAOYSA-N 1 0 310.423 1.322 10 0 DDAERO CCCN(C1CCC([NH3+])CC1)S(=O)(=O)Cc1cc(C)on1 ZINC000091852172 193118288 /nfs/dbraw/zinc/11/82/88/193118288.db2.gz NVJUAJKGVMLHDA-UHFFFAOYSA-N 1 0 315.439 1.795 10 0 DDAERO C[NH2+]C1CCC(N(C)S(=O)(=O)N2CCCCCC2)CC1 ZINC000091869982 193120901 /nfs/dbraw/zinc/12/09/01/193120901.db2.gz LFTZVHHPGOOMOL-UHFFFAOYSA-N 1 0 303.472 1.570 10 0 DDAERO CC[NH2+]C1CCC(N(C)S(=O)(=O)c2c(C)n[nH]c2C)CC1 ZINC000091869894 193121470 /nfs/dbraw/zinc/12/14/70/193121470.db2.gz CGHCCOQFKUOPCP-UHFFFAOYSA-N 1 0 314.455 1.568 10 0 DDAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1)[C@@H]1CCCOC1 ZINC000329983121 299363969 /nfs/dbraw/zinc/36/39/69/299363969.db2.gz AXHHVOPPLCSLBG-DMEJVMROSA-N 1 0 306.410 1.985 10 0 DDAERO CN(Cc1cscn1)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115994 193164286 /nfs/dbraw/zinc/16/42/86/193164286.db2.gz IYIIMSABFRZCRD-UHFFFAOYSA-N 1 0 315.395 1.562 10 0 DDAERO CC[C@H](C)N(CCOC)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115965 193164554 /nfs/dbraw/zinc/16/45/54/193164554.db2.gz JNJDKBXDQUUXSC-NSHDSACASA-N 1 0 318.414 1.720 10 0 DDAERO CCS(=O)(=O)Nc1ccc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)cc1 ZINC000092204295 193173109 /nfs/dbraw/zinc/17/31/09/193173109.db2.gz LENUBZJZMSZZCD-QWRGUYRKSA-N 1 0 309.391 1.290 10 0 DDAERO C[NH2+]CCn1nnnc1SC[C@H]1CSc2ccccc21 ZINC000092295317 193185901 /nfs/dbraw/zinc/18/59/01/193185901.db2.gz DKVRPQJWXASNPX-SNVBAGLBSA-N 1 0 307.448 1.874 10 0 DDAERO CC[C@@H]([NH3+])c1cccc(S(=O)(=O)N(C)CC(C)(C)O)c1 ZINC000092984443 193191732 /nfs/dbraw/zinc/19/17/32/193191732.db2.gz SZQHMSZRRZXFKC-CYBMUJFWSA-N 1 0 300.424 1.488 10 0 DDAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCc2ccc(F)cc2)cn1 ZINC000261947707 203159178 /nfs/dbraw/zinc/15/91/78/203159178.db2.gz NSRWYVDAPMJHCW-CABCVRRESA-N 1 0 302.353 1.179 10 0 DDAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC2CC(c3ccccc3)C2)cn1 ZINC000261920742 203151622 /nfs/dbraw/zinc/15/16/22/203151622.db2.gz KHMLJWCEIJQVNI-SYNTWQANSA-N 1 0 324.428 1.786 10 0 DDAERO COCCN1C(=[NH2+])NC[C@@]1(C)c1cccc(Br)c1 ZINC000093380262 193240682 /nfs/dbraw/zinc/24/06/82/193240682.db2.gz UUGVZHYZPQHNAF-ZDUSSCGKSA-N 1 0 312.211 1.941 10 0 DDAERO [NH3+]CC1CCC(C(=O)N2CCN(c3nccs3)CC2)CC1 ZINC000093424715 193249747 /nfs/dbraw/zinc/24/97/47/193249747.db2.gz HMLZMOASDVSEFP-UHFFFAOYSA-N 1 0 308.451 1.557 10 0 DDAERO Cc1c(N[C@@H](C)C[C@@H]2CCCC[NH2+]2)cccc1S(N)(=O)=O ZINC000093486320 193258448 /nfs/dbraw/zinc/25/84/48/193258448.db2.gz MYIWJOCVUJRZGW-AAEUAGOBSA-N 1 0 311.451 1.975 10 0 DDAERO Cc1c(N[C@H](C)C[C@@H]2CCCC[NH2+]2)cccc1S(N)(=O)=O ZINC000093486321 193258776 /nfs/dbraw/zinc/25/87/76/193258776.db2.gz MYIWJOCVUJRZGW-YPMHNXCESA-N 1 0 311.451 1.975 10 0 DDAERO CC(=O)Nc1ccsc1C[NH2+]CC(C)(C)S(C)(=O)=O ZINC000093520659 193262987 /nfs/dbraw/zinc/26/29/87/193262987.db2.gz GCOGUCVKXIGHEG-UHFFFAOYSA-N 1 0 304.437 1.619 10 0 DDAERO CCC[C@H]([NH3+])C(=O)NCc1ccnc(OC2CCOCC2)c1 ZINC000262713486 203390255 /nfs/dbraw/zinc/39/02/55/203390255.db2.gz SSHAQEIFXVFZIL-AWEZNQCLSA-N 1 0 307.394 1.383 10 0 DDAERO CCN[C@]1(C(=O)OC)CCC[C@@H]1CC[N@H+](C)[C@@H](C)COC ZINC000093590209 193271673 /nfs/dbraw/zinc/27/16/73/193271673.db2.gz DTZXOTFIBAHCLG-SQWLQELKSA-N 1 0 300.443 1.665 10 0 DDAERO CS(=O)(=O)N1CCC[C@H](COC2(C[NH3+])CCCCCC2)C1 ZINC000093695781 193290847 /nfs/dbraw/zinc/29/08/47/193290847.db2.gz SIOIWSOWNMNUSU-AWEZNQCLSA-N 1 0 318.483 1.726 10 0 DDAERO CC(C)[NH2+]Cc1cccn1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093698536 193293030 /nfs/dbraw/zinc/29/30/30/193293030.db2.gz 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ZINC000093785838 193307261 /nfs/dbraw/zinc/30/72/61/193307261.db2.gz UUJCFVWHZZSESS-ZFWWWQNUSA-N 1 0 313.419 1.362 10 0 DDAERO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2c(C)cc(N)cc2C)C1 ZINC000093648536 193283424 /nfs/dbraw/zinc/28/34/24/193283424.db2.gz RNOCVGDDPAZBPY-AWEZNQCLSA-N 1 0 311.451 1.648 10 0 DDAERO CC(C)OCCS(=O)(=O)Nc1cccc(OCC(N)=[NH2+])c1 ZINC000093667845 193287271 /nfs/dbraw/zinc/28/72/71/193287271.db2.gz MAMOVKAPGVUWAD-UHFFFAOYSA-N 1 0 315.395 1.168 10 0 DDAERO CC(C)OCCS(=O)(=O)N1CCC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000093667732 193287457 /nfs/dbraw/zinc/28/74/57/193287457.db2.gz BMYGIDAXICNCMW-CQSZACIVSA-N 1 0 320.499 1.841 10 0 DDAERO CC[NH2+][C@@]1(C(N)=O)CC[C@H](n2cc(Br)cn2)C1 ZINC000093833128 193315034 /nfs/dbraw/zinc/31/50/34/193315034.db2.gz HOSWVGFNGWHBDI-ONGXEEELSA-N 1 0 301.188 1.204 10 0 DDAERO NC(=O)[C@]1([NH3+])CC[C@@H](Sc2ccc(C(F)(F)F)cn2)C1 ZINC000093850363 193316966 /nfs/dbraw/zinc/31/69/66/193316966.db2.gz YHGKWWSNSYPOPU-KCJUWKMLSA-N 1 0 305.325 1.928 10 0 DDAERO COc1ccc2[nH]c(S[C@H]3CC[C@@]([NH3+])(C(N)=O)C3)nc2c1 ZINC000093850568 193317965 /nfs/dbraw/zinc/31/79/65/193317965.db2.gz ZDXMAEGLBAVINH-XPTSAGLGSA-N 1 0 306.391 1.399 10 0 DDAERO C[C@@H]([NH3+])c1nc(-c2nc([C@@H]3CN(C)CCN3C)no2)cs1 ZINC000093892791 193324329 /nfs/dbraw/zinc/32/43/29/193324329.db2.gz PAWGHKHUTOLLOY-SCZZXKLOSA-N 1 0 308.411 1.131 10 0 DDAERO CCCN(CCC)S(=O)(=O)N(CC)CC1CC[NH2+]CC1 ZINC000094023972 193339102 /nfs/dbraw/zinc/33/91/02/193339102.db2.gz OTLZLXOEKJYQHO-UHFFFAOYSA-N 1 0 305.488 1.675 10 0 DDAERO CC[C@H]([NH3+])[C@H](c1sccc1C)N(C)CCS(C)(=O)=O ZINC000094297376 193357244 /nfs/dbraw/zinc/35/72/44/193357244.db2.gz USUWVFCJTDVTAF-NWDGAFQWSA-N 1 0 304.481 1.811 10 0 DDAERO NC(=O)c1ccc(C(F)(F)F)nc1O[C@H]1CCC[C@@H]([NH3+])C1 ZINC000094337760 193361240 /nfs/dbraw/zinc/36/12/40/193361240.db2.gz RFDUNBMCOJJVGC-SFYZADRCSA-N 1 0 303.284 1.848 10 0 DDAERO Cc1nc(Sc2nc(C(F)(F)F)ccc2C(N)=[NH2+])n[nH]1 ZINC000094337098 193361381 /nfs/dbraw/zinc/36/13/81/193361381.db2.gz NPFFNEKCMLZRIN-UHFFFAOYSA-N 1 0 302.285 1.962 10 0 DDAERO CN(CC1CC(O)C1)c1nc(C(F)(F)F)ccc1C(N)=[NH2+] ZINC000094336777 193361418 /nfs/dbraw/zinc/36/14/18/193361418.db2.gz VNZZRZRWAIUTSL-UHFFFAOYSA-N 1 0 302.300 1.592 10 0 DDAERO C[C@@H]1CN(S(=O)(=O)c2c(F)cc(F)cc2F)CC[C@@H]1[NH3+] ZINC000094341039 193361739 /nfs/dbraw/zinc/36/17/39/193361739.db2.gz LDFSCXAYXGXCCE-HQJQHLMTSA-N 1 0 308.325 1.462 10 0 DDAERO C[C@@H]([NH3+])Cc1cc(F)c(OC[C@@H]2CN(C)CCO2)c(F)c1 ZINC000094350140 193363263 /nfs/dbraw/zinc/36/32/63/193363263.db2.gz WWLQTYVZTLKPOX-PWSUYJOCSA-N 1 0 300.349 1.564 10 0 DDAERO CCN(CC1CC[NH2+]CC1)c1ccc(S(N)(=O)=O)cc1F ZINC000094043549 193341070 /nfs/dbraw/zinc/34/10/70/193341070.db2.gz RAUKFLMDQQLCPH-UHFFFAOYSA-N 1 0 315.414 1.299 10 0 DDAERO COCC[NH2+]CC(=O)Nc1cc(C)c(Br)cn1 ZINC000094063665 193342558 /nfs/dbraw/zinc/34/25/58/193342558.db2.gz AXXZCGIAWAVZJK-UHFFFAOYSA-N 1 0 302.172 1.327 10 0 DDAERO CCCCN(C(=O)C([NH3+])(CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000094244531 193354723 /nfs/dbraw/zinc/35/47/23/193354723.db2.gz HEWDWDYVFLWXFT-GFCCVEGCSA-N 1 0 304.456 1.320 10 0 DDAERO CS(=O)(=O)[C@H]1CCC[C@@H]([N@H+](CC(N)=S)C2CCCC2)C1 ZINC000094636677 193387365 /nfs/dbraw/zinc/38/73/65/193387365.db2.gz KXHYMXHBZLZHHL-OLZOCXBDSA-N 1 0 318.508 1.873 10 0 DDAERO CS(=O)(=O)[C@@H]1CCC[C@H](Oc2ccc(CC(N)=[NH2+])cc2)C1 ZINC000094637272 193387408 /nfs/dbraw/zinc/38/74/08/193387408.db2.gz KJCWIAJRNHCLLJ-UONOGXRCSA-N 1 0 310.419 1.900 10 0 DDAERO O=S1(=O)CC[C@H]([NH2+][C@H]2CCOC3(CCSCC3)C2)C1 ZINC000094365005 193367004 /nfs/dbraw/zinc/36/70/04/193367004.db2.gz CNGXONLEUMHCDY-RYUDHWBXSA-N 1 0 305.465 1.208 10 0 DDAERO Cc1c(N)cccc1S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000094457283 193370887 /nfs/dbraw/zinc/37/08/87/193370887.db2.gz GGBCUEFTGGWRQI-WCQYABFASA-N 1 0 309.435 1.434 10 0 DDAERO CCOC(=O)C[C@]1([NH+]2CCN(C)CC2)CCCS[C@H]1C ZINC000094481000 193372941 /nfs/dbraw/zinc/37/29/41/193372941.db2.gz ITTIVUAMHPYVDL-DZGCQCFKSA-N 1 0 300.468 1.841 10 0 DDAERO C[NH+]1CCC(Nc2nc(Br)cn3ccnc23)CC1 ZINC000094487119 193373062 /nfs/dbraw/zinc/37/30/62/193373062.db2.gz CHYRBKATGJKVDW-UHFFFAOYSA-N 1 0 310.199 1.998 10 0 DDAERO CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H]([NH3+])C2)cc1 ZINC000094550248 193378955 /nfs/dbraw/zinc/37/89/55/193378955.db2.gz SWYKFRGJXIWLNI-JQWIXIFHSA-N 1 0 311.407 1.003 10 0 DDAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094571964 193381430 /nfs/dbraw/zinc/38/14/30/193381430.db2.gz APHLLPAKSJPIIH-KOLCDFICSA-N 1 0 312.391 1.678 10 0 DDAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2cc(Br)ccc2O)O1 ZINC000094573578 193381436 /nfs/dbraw/zinc/38/14/36/193381436.db2.gz PLLUWFMABSCEQH-LDYMZIIASA-N 1 0 315.167 1.600 10 0 DDAERO [NH3+]C[C@H]1CCCCN1c1nc2c(Br)cccn2n1 ZINC000094607687 193384740 /nfs/dbraw/zinc/38/47/40/193384740.db2.gz DDHHNSUAZHPOJN-SECBINFHSA-N 1 0 310.199 1.809 10 0 DDAERO CCC[NH2+][C@H]1CCOC[C@@H]1S(=O)(=O)c1cccc(F)c1 ZINC000094625100 193385314 /nfs/dbraw/zinc/38/53/14/193385314.db2.gz RTXHZJWMVFPUPN-KBPBESRZSA-N 1 0 301.383 1.757 10 0 DDAERO C[NH2+]CC1CCN(S(=O)(=O)NCc2cscc2C)CC1 ZINC000094887038 193404745 /nfs/dbraw/zinc/40/47/45/193404745.db2.gz NMWBXXOAQASQGS-UHFFFAOYSA-N 1 0 317.480 1.322 10 0 DDAERO CS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000094750997 193395268 /nfs/dbraw/zinc/39/52/68/193395268.db2.gz PYYSVRXMBKYZOB-ZIAGYGMSSA-N 1 0 310.419 1.936 10 0 DDAERO C[NH2+][C@H](C)c1cc(F)c(C)cc1N1CCS(=O)(=O)CC1 ZINC000094765786 193396200 /nfs/dbraw/zinc/39/62/00/193396200.db2.gz GKAFWMDOCXKYLI-LLVKDONJSA-N 1 0 300.399 1.649 10 0 DDAERO Cc1cc(N(C)[C@@H]2CCS(=O)(=O)C2)c([C@@H](C)[NH3+])cc1F ZINC000094765848 193396450 /nfs/dbraw/zinc/39/64/50/193396450.db2.gz FMECWLUAEIMQRC-GHMZBOCLSA-N 1 0 300.399 1.777 10 0 DDAERO COCC[N@@H+]1CCC[C@]2(CCN(Cc3cnn(C)c3C)C2)C1 ZINC000019299794 182113657 /nfs/dbraw/zinc/11/36/57/182113657.db2.gz ORELIGGPVYBVFF-KRWDZBQOSA-N 1 0 306.454 1.663 10 0 DDAERO COc1ccc2c(c1)C[C@H](O)[C@@]2(c1ccccc1)N1CC[NH2+]CC1 ZINC000019365017 182118448 /nfs/dbraw/zinc/11/84/48/182118448.db2.gz MHPZBWSTFSBUSU-PMACEKPBSA-N 1 0 324.424 1.761 10 0 DDAERO COc1ccc(S(=O)(=O)NCc2ccccc2)cc1C[NH3+] ZINC000020189937 182195506 /nfs/dbraw/zinc/19/55/06/182195506.db2.gz GIEIZWMQLUEETC-UHFFFAOYSA-N 1 0 306.387 1.632 10 0 DDAERO CCCOc1ccc(CNCC[NH2+]C[C@@H](C)O)cc1OCC ZINC000020968271 182257269 /nfs/dbraw/zinc/25/72/69/182257269.db2.gz ZMSRHXFOVPXVDC-CQSZACIVSA-N 1 0 310.438 1.934 10 0 DDAERO NS(=O)(=O)c1ccc(NC(=O)c2cccc(C[NH3+])c2)cc1 ZINC000021012654 182260201 /nfs/dbraw/zinc/26/02/01/182260201.db2.gz DNKKAIVLNITYSF-UHFFFAOYSA-N 1 0 305.359 1.045 10 0 DDAERO O=C(c1ccc2c(c1)NC(=O)CCS2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195225565 296235242 /nfs/dbraw/zinc/23/52/42/296235242.db2.gz JXGJGKSWRCSNBT-TXEJJXNPSA-N 1 0 317.414 1.412 10 0 DDAERO C[C@@H](Oc1ccc(Br)cc1CC[NH3+])C(=O)N(C)C ZINC000037720847 182920353 /nfs/dbraw/zinc/92/03/53/182920353.db2.gz WOAIMNKRQPFBJR-SECBINFHSA-N 1 0 315.211 1.806 10 0 DDAERO COc1cc(Cl)c(NC(=O)[C@@H]2C[C@@H](OC)C[NH2+]2)cc1OC ZINC000040633176 183111856 /nfs/dbraw/zinc/11/18/56/183111856.db2.gz VWEIVMVMEGRMDI-KCJUWKMLSA-N 1 0 314.769 1.673 10 0 DDAERO COC(=O)c1cc(NC(=O)[C@@H]2C[C@@H](OC)C[NH2+]2)ccc1Cl ZINC000040632691 183112071 /nfs/dbraw/zinc/11/20/71/183112071.db2.gz DZHAOEKZBUTTDW-SKDRFNHKSA-N 1 0 312.753 1.442 10 0 DDAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccc(F)cc2Br)C1 ZINC000040631214 183112073 /nfs/dbraw/zinc/11/20/73/183112073.db2.gz CUSDDGLLTJKJAD-KWQFWETISA-N 1 0 317.158 1.904 10 0 DDAERO CN(C)Nc1[nH+]cnc(NCc2ccc3c(c2)OCO3)c1N ZINC000040686093 183118032 /nfs/dbraw/zinc/11/80/32/183118032.db2.gz PNFBSCVICHSMDC-UHFFFAOYSA-N 1 0 302.338 1.288 10 0 DDAERO C[C@@H]1CN(C(=O)NCc2ccccc2)C[C@@H](C)N1CC[NH+](C)C ZINC000041313758 183185222 /nfs/dbraw/zinc/18/52/22/183185222.db2.gz DZYPBRPRRREUKN-HZPDHXFCSA-N 1 0 318.465 1.852 10 0 DDAERO CCCN(CC[NH+](C)C)C[C@](C)(NC(C)C)C(=O)OCC ZINC000041674818 183215471 /nfs/dbraw/zinc/21/54/71/183215471.db2.gz UIGHAARSWSSTLC-INIZCTEOSA-N 1 0 301.475 1.580 10 0 DDAERO CC(C)[N@H+](C)CCCCNS(=O)(=O)c1ccccc1NN ZINC000041681769 183217199 /nfs/dbraw/zinc/21/71/99/183217199.db2.gz AFPFQTWHSCMWED-UHFFFAOYSA-N 1 0 314.455 1.371 10 0 DDAERO CNC(=O)[C@H](C)Oc1c(Br)cccc1C[C@H](C)[NH3+] ZINC000042412830 183266598 /nfs/dbraw/zinc/26/65/98/183266598.db2.gz VNAIQADDDPVHBD-IUCAKERBSA-N 1 0 315.211 1.852 10 0 DDAERO COCCCN(CCOC)[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000042421060 183268032 /nfs/dbraw/zinc/26/80/32/183268032.db2.gz CAURVTIDTSMUOD-HNNXBMFYSA-N 1 0 302.365 1.950 10 0 DDAERO COc1ccc(CN(C)C2(C[NH3+])CCS(=O)(=O)CC2)cc1 ZINC000042332435 183255455 /nfs/dbraw/zinc/25/54/55/183255455.db2.gz AKDUNCRYCUCNQF-UHFFFAOYSA-N 1 0 312.435 1.033 10 0 DDAERO COCCN(CC(C)C)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000042370900 183260289 /nfs/dbraw/zinc/26/02/89/183260289.db2.gz HKHDIUYUZZYDQE-UHFFFAOYSA-N 1 0 320.480 1.542 10 0 DDAERO CC[C@H]([NH3+])[C@@H](c1ccc(F)cc1)N1CCS(=O)(=O)CC1 ZINC000042914414 183318411 /nfs/dbraw/zinc/31/84/11/183318411.db2.gz LDZQVOPVVJPIFV-UONOGXRCSA-N 1 0 300.399 1.335 10 0 DDAERO CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)CC(N)=O ZINC000043020458 183328322 /nfs/dbraw/zinc/32/83/22/183328322.db2.gz LPKFLAZJSWXWKG-AAEUAGOBSA-N 1 0 314.227 1.645 10 0 DDAERO CC(C)N(CC(F)(F)F)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000042782502 183309395 /nfs/dbraw/zinc/30/93/95/183309395.db2.gz IUVHSQPLKWEBDB-UHFFFAOYSA-N 1 0 302.362 1.589 10 0 DDAERO [NH3+][C@@H](c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043299793 183351661 /nfs/dbraw/zinc/35/16/61/183351661.db2.gz MNRPVXKLJWKDAI-KOLCDFICSA-N 1 0 304.209 1.884 10 0 DDAERO CCc1ccc([C@H]([NH3+])c2ccc3[nH]c(=O)c(=O)[nH]c3c2)s1 ZINC000043639734 183376866 /nfs/dbraw/zinc/37/68/66/183376866.db2.gz PKPMPKANUDDCDS-CYBMUJFWSA-N 1 0 301.371 1.888 10 0 DDAERO CN(C)c1ccccc1NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000044080340 183394270 /nfs/dbraw/zinc/39/42/70/183394270.db2.gz JILIQBJIAOUADK-CQSZACIVSA-N 1 0 320.437 1.721 10 0 DDAERO CCOC[C@@H](C)NS(=O)(=O)c1ccc([C@@H](C)[NH2+]C)cc1 ZINC000044728246 183436577 /nfs/dbraw/zinc/43/65/77/183436577.db2.gz HZOFYPFXXQRIBO-VXGBXAGGSA-N 1 0 300.424 1.670 10 0 DDAERO CC[NH+](CC)C[C@H](C)Nc1ccc(S(=O)(=O)NC)cc1N ZINC000045688765 183523966 /nfs/dbraw/zinc/52/39/66/183523966.db2.gz YDQOVCCKGIHDKQ-NSHDSACASA-N 1 0 314.455 1.319 10 0 DDAERO CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000104861350 194047437 /nfs/dbraw/zinc/04/74/37/194047437.db2.gz QNHUWAVTRDIXBD-OLZOCXBDSA-N 1 0 313.442 1.890 10 0 DDAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000284622952 218103675 /nfs/dbraw/zinc/10/36/75/218103675.db2.gz RVPKUTDUDGCGRM-DLBZAZTESA-N 1 0 301.390 1.762 10 0 DDAERO COc1cccc(OCC(=O)N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)c1 ZINC000284666957 218123696 /nfs/dbraw/zinc/12/36/96/218123696.db2.gz OIFPQMBASWPNMI-BBRMVZONSA-N 1 0 322.405 1.252 10 0 DDAERO Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2ccc(CO)o2)CCCN1C ZINC000284713646 218145374 /nfs/dbraw/zinc/14/53/74/218145374.db2.gz ZPZKIZNBMDVWRT-SUMWQHHRSA-N 1 0 318.421 1.678 10 0 DDAERO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000284740351 218158068 /nfs/dbraw/zinc/15/80/68/218158068.db2.gz UTCWGHHMHFTDSS-YESZJQIVSA-N 1 0 318.417 1.801 10 0 DDAERO COc1ccc(OCCCN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000105822447 194137104 /nfs/dbraw/zinc/13/71/04/194137104.db2.gz PDCJSOJFPFGDQV-HZPDHXFCSA-N 1 0 322.449 1.851 10 0 DDAERO COCC[N@@H+]1CCN(C[C@H](O)c2cc(F)ccc2F)C[C@H]1C ZINC000105833826 194141334 /nfs/dbraw/zinc/14/13/34/194141334.db2.gz MJEBBAWUAWRSLX-WBMJQRKESA-N 1 0 314.376 1.651 10 0 DDAERO CC(C)COC[C@@H](O)C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000105902277 194167093 /nfs/dbraw/zinc/16/70/93/194167093.db2.gz LMFYVHBHMYIAMQ-INIZCTEOSA-N 1 0 322.453 1.411 10 0 DDAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)Nc1ccccc1Cl ZINC000105932721 194173474 /nfs/dbraw/zinc/17/34/74/194173474.db2.gz MBVDGMFTDILAEU-RYUDHWBXSA-N 1 0 311.813 1.587 10 0 DDAERO COc1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)cc1F ZINC000106366131 194202106 /nfs/dbraw/zinc/20/21/06/194202106.db2.gz XWBILOBBYSRIBO-LLVKDONJSA-N 1 0 316.398 1.502 10 0 DDAERO O=S(=O)(C[C@@H]1CCC[NH2+]C1)N1CCc2sccc2C1 ZINC000049632155 183749913 /nfs/dbraw/zinc/74/99/13/183749913.db2.gz GLLXCRMJZQDDNH-LLVKDONJSA-N 1 0 300.449 1.436 10 0 DDAERO CCN(C1(C[NH3+])CCCCCC1)S(=O)(=O)N1CCCC1 ZINC000050093085 183772546 /nfs/dbraw/zinc/77/25/46/183772546.db2.gz XVJDLIUQQYVFFY-UHFFFAOYSA-N 1 0 303.472 1.701 10 0 DDAERO COc1ccc(N(C)S(=O)(=O)CCC[NH2+]C(C)C)cc1 ZINC000049974522 183766309 /nfs/dbraw/zinc/76/63/09/183766309.db2.gz JCBQPYBYEZEIRA-UHFFFAOYSA-N 1 0 300.424 1.849 10 0 DDAERO CCNS(=O)(=O)c1ccc(N[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000050163880 183776297 /nfs/dbraw/zinc/77/62/97/183776297.db2.gz CFFCOZMZABDBCZ-OLZOCXBDSA-N 1 0 311.451 1.785 10 0 DDAERO CCCN([C@@](C)(CC)C[NH3+])S(=O)(=O)c1cncc(F)c1 ZINC000050093649 183772979 /nfs/dbraw/zinc/77/29/79/183772979.db2.gz YSUKQZUFFUTZBI-ZDUSSCGKSA-N 1 0 303.403 1.749 10 0 DDAERO CC[NH2+][C@](C)(CCCSc1ncnc2[nH]cnc21)C(N)=O ZINC000051037414 183812230 /nfs/dbraw/zinc/81/22/30/183812230.db2.gz YKSKNUSCWXYBCD-CYBMUJFWSA-N 1 0 308.411 1.079 10 0 DDAERO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N[C@@H]2CCCOC2)cc1 ZINC000109550522 194272709 /nfs/dbraw/zinc/27/27/09/194272709.db2.gz HNXAEGJXYASZBF-GXTWGEPZSA-N 1 0 312.435 1.814 10 0 DDAERO CC[C@@H](C(N)=S)[NH+]1CCN(CCOCCC(C)C)CC1 ZINC000109469005 194266739 /nfs/dbraw/zinc/26/67/39/194266739.db2.gz OFZMCDITPOBIPY-AWEZNQCLSA-N 1 0 301.500 1.731 10 0 DDAERO COc1ccc(C)cc1CN1CC[NH+]([C@H](C)C(N)=S)CC1 ZINC000109468459 194267005 /nfs/dbraw/zinc/26/70/05/194267005.db2.gz REJVBLZLGAPGSQ-CYBMUJFWSA-N 1 0 307.463 1.796 10 0 DDAERO C[C@@H]1Cc2ccccc2N(CC[NH2+][C@@H]2CCS(=O)(=O)C2)C1 ZINC000110227713 194317202 /nfs/dbraw/zinc/31/72/02/194317202.db2.gz KVPINAUYVRAZHD-UKRRQHHQSA-N 1 0 308.447 1.462 10 0 DDAERO NC(=S)C1(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCCCC1 ZINC000110272679 194319558 /nfs/dbraw/zinc/31/95/58/194319558.db2.gz JCLBZWQUVZLNNA-CYBMUJFWSA-N 1 0 309.479 1.920 10 0 DDAERO C[NH2+][C@H]1CCCN(CC(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000053204025 183892526 /nfs/dbraw/zinc/89/25/26/183892526.db2.gz ZGNNNZKHDLWNJT-VIFPVBQESA-N 1 0 301.312 1.726 10 0 DDAERO C[NH+](C)C1CCN(C(=O)Cc2ccc(C(N)=S)cc2)CC1 ZINC000110614285 194343062 /nfs/dbraw/zinc/34/30/62/194343062.db2.gz HCEWQIQJVRBZHH-UHFFFAOYSA-N 1 0 305.447 1.416 10 0 DDAERO CN(C)S(=O)(=O)c1ccccc1NCC[C@H]1CCC[NH2+]C1 ZINC000110793625 194359235 /nfs/dbraw/zinc/35/92/35/194359235.db2.gz SPVODXCWHKLIRU-CYBMUJFWSA-N 1 0 311.451 1.739 10 0 DDAERO CCN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000110941836 194371808 /nfs/dbraw/zinc/37/18/08/194371808.db2.gz GXFPBYSQVXPGHX-LBPRGKRZSA-N 1 0 304.362 1.727 10 0 DDAERO CCCN([C@H]1CCC[NH2+]C1)S(=O)(=O)N(C)C1CCCCC1 ZINC000110942383 194371958 /nfs/dbraw/zinc/37/19/58/194371958.db2.gz LMCJBTCNIFEDDM-HNNXBMFYSA-N 1 0 317.499 1.960 10 0 DDAERO CCC[NH2+][C@@](C)(CCCCSCCS(C)(=O)=O)C(N)=O ZINC000111006836 194381251 /nfs/dbraw/zinc/38/12/51/194381251.db2.gz DPFWHHLIRAXTFW-ZDUSSCGKSA-N 1 0 324.512 1.178 10 0 DDAERO CN(CC1CCOCC1)S(=O)(=O)CCC1CC[NH2+]CC1 ZINC000111178859 194399640 /nfs/dbraw/zinc/39/96/40/194399640.db2.gz MTDCPLONZMZOFV-UHFFFAOYSA-N 1 0 304.456 1.064 10 0 DDAERO COCCN(C)CC[NH2+][C@H]1CCS(=O)(=O)c2ccccc21 ZINC000061376743 184169622 /nfs/dbraw/zinc/16/96/22/184169622.db2.gz NPTZDLOPDZURSQ-AWEZNQCLSA-N 1 0 312.435 1.073 10 0 DDAERO CN(C(=O)[C@H](C(N)=S)c1ccccc1)C1CC[NH+](C)CC1 ZINC000061615775 184178736 /nfs/dbraw/zinc/17/87/36/184178736.db2.gz UFZLFVYCZQBUSP-AWEZNQCLSA-N 1 0 305.447 1.609 10 0 DDAERO Cc1cc(N)ccc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000062069430 184204636 /nfs/dbraw/zinc/20/46/36/184204636.db2.gz IBZXFEXQROKKMO-GFCCVEGCSA-N 1 0 311.451 1.587 10 0 DDAERO CCC[NH2+][C@@H]1CCCC[C@H]1CN1CCN(S(C)(=O)=O)CC1 ZINC000062096406 184206113 /nfs/dbraw/zinc/20/61/13/184206113.db2.gz IWZORHFNPFTHBL-LSDHHAIUSA-N 1 0 317.499 1.122 10 0 DDAERO Cc1cc(CC(=O)N2C[C@@H](C)N(CCC[NH+](C)C)[C@@H](C)C2)no1 ZINC000062454828 184237238 /nfs/dbraw/zinc/23/72/38/184237238.db2.gz AHEHYZRZPMYBKS-OKILXGFUSA-N 1 0 322.453 1.398 10 0 DDAERO C[C@H](CNC(=O)c1cc2ccc(F)cc2[nH]c1=O)[NH+]1CCCC1 ZINC000062348143 184231547 /nfs/dbraw/zinc/23/15/47/184231547.db2.gz MXNZFYRGGQETGB-LLVKDONJSA-N 1 0 317.364 1.881 10 0 DDAERO CC[NH+](CC)[C@H](CNS(=O)(=O)NC)c1ccc(Cl)cc1 ZINC000062358380 184232686 /nfs/dbraw/zinc/23/26/86/184232686.db2.gz JQCBEBYEUICURC-CYBMUJFWSA-N 1 0 319.858 1.777 10 0 DDAERO CC[C@]1(C(=O)N2CCN(c3nccs3)CC2)CCC[NH2+]C1 ZINC000062852300 184256737 /nfs/dbraw/zinc/25/67/37/184256737.db2.gz WTDMAXSMAWFXLO-HNNXBMFYSA-N 1 0 308.451 1.572 10 0 DDAERO CCC[C@]1(C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)CCC[NH2+]C1 ZINC000062856676 184256925 /nfs/dbraw/zinc/25/69/25/184256925.db2.gz VHQNHTBQIKXQDJ-HIFRSBDPSA-N 1 0 316.467 1.192 10 0 DDAERO O=S(=O)(CC1CC[NH2+]CC1)N1CCC2(CCCC2)CC1 ZINC000062960089 184262548 /nfs/dbraw/zinc/26/25/48/184262548.db2.gz OCFDZBMNZYJLPK-UHFFFAOYSA-N 1 0 300.468 1.972 10 0 DDAERO [NH3+][C@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000063213662 184278865 /nfs/dbraw/zinc/27/88/65/184278865.db2.gz VSSKFZFMQBXQCA-KBPBESRZSA-N 1 0 310.419 1.560 10 0 DDAERO Cc1ccc([C@H]([C@@H](C)[NH3+])N2CC[C@H](N3CCOCC3)C2)s1 ZINC000062977898 184264547 /nfs/dbraw/zinc/26/45/47/184264547.db2.gz YYSONKKUZANPPT-YCPHGPKFSA-N 1 0 309.479 1.851 10 0 DDAERO O=S(=O)(C[C@@H]1CCC[NH2+]C1)N1CCOc2ccccc2C1 ZINC000063013966 184266382 /nfs/dbraw/zinc/26/63/82/184266382.db2.gz UZAYLUWKSNELRG-CYBMUJFWSA-N 1 0 310.419 1.210 10 0 DDAERO CC[C@H]([NH3+])Cc1ccc(OCCCS(C)(=O)=O)c(OC)c1 ZINC000063017559 184266960 /nfs/dbraw/zinc/26/69/60/184266960.db2.gz NNLMQCCTRSPAKQ-ZDUSSCGKSA-N 1 0 315.435 1.789 10 0 DDAERO Cc1nn(CCCS(C)(=O)=O)c(C)c1C[NH2+]C(C)(C)C ZINC000063018570 184267257 /nfs/dbraw/zinc/26/72/57/184267257.db2.gz ZLFNLYXCGZDBSY-UHFFFAOYSA-N 1 0 301.456 1.823 10 0 DDAERO CC(C)[NH2+]C[C@H](O)CSc1ccc(S(C)(=O)=O)cc1 ZINC000063131397 184272447 /nfs/dbraw/zinc/27/24/47/184272447.db2.gz XPUJHJCOOIRLNZ-NSHDSACASA-N 1 0 303.449 1.541 10 0 DDAERO Cc1ccccc1N(CCC[NH3+])S(=O)(=O)C[C@@H]1CCCO1 ZINC000063154836 184274402 /nfs/dbraw/zinc/27/44/02/184274402.db2.gz PTQOZTYMYCZFCX-AWEZNQCLSA-N 1 0 312.435 1.659 10 0 DDAERO CC(=O)N1CCc2cc(NC(=O)[C@H]([NH3+])C3CCOCC3)ccc21 ZINC000261610345 207365263 /nfs/dbraw/zinc/36/52/63/207365263.db2.gz BDZANLRSXYYTTA-MRXNPFEDSA-N 1 0 317.389 1.288 10 0 DDAERO CC(C)(C)C1CCN([C@@]2(C[NH3+])CCCS(=O)(=O)C2)CC1 ZINC000069138662 184500800 /nfs/dbraw/zinc/50/08/00/184500800.db2.gz IISMRADUMMYXPP-OAHLLOKOSA-N 1 0 302.484 1.651 10 0 DDAERO CCOC(=O)CCCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000119964965 195070817 /nfs/dbraw/zinc/07/08/17/195070817.db2.gz IZYCDMKVLXAAEP-OAHLLOKOSA-N 1 0 321.421 1.932 10 0 DDAERO CC(C)[C@@H](O)CC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000158840288 197305071 /nfs/dbraw/zinc/30/50/71/197305071.db2.gz NJRNRYABBZROMS-INIZCTEOSA-N 1 0 308.422 1.650 10 0 DDAERO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)[C@H]1CCC[C@H]1O ZINC000352702337 285239475 /nfs/dbraw/zinc/23/94/75/285239475.db2.gz XKPGHPVNXYKJPM-LSDHHAIUSA-N 1 0 302.374 1.518 10 0 DDAERO O=C(Nc1cnccn1)[C@@H]1C[C@@H]2CC[N@H+](CC3CC3)C[C@H]2O1 ZINC000096043056 256554506 /nfs/dbraw/zinc/55/45/06/256554506.db2.gz RJLUFNOJLNEBQB-MELADBBJSA-N 1 0 302.378 1.305 10 0 DDAERO COCCN1CC[C@@H]2C[N@H+](Cc3ccc(C)s3)C[C@H]2C1=O ZINC000248121280 257108308 /nfs/dbraw/zinc/10/83/08/257108308.db2.gz VKBYDTWXTVVJLI-UKRRQHHQSA-N 1 0 308.447 1.983 10 0 DDAERO O=C(NC1CC1)[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]2OCC[C@@H]21 ZINC000247731273 257118700 /nfs/dbraw/zinc/11/87/00/257118700.db2.gz HJPZKXPRORVHEU-KURKYZTESA-N 1 0 314.429 1.845 10 0 DDAERO O=C1[C@@H]2C[N@@H+](C3CCOCC3)C[C@@H]2CN1Cc1ccncc1 ZINC000253616379 257104736 /nfs/dbraw/zinc/10/47/36/257104736.db2.gz QXFAICCBGWHRJT-GDBMZVCRSA-N 1 0 301.390 1.151 10 0 DDAERO C[NH2+][C@@H](C)C1CCN(c2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000071390743 134422462 /nfs/dbraw/zinc/42/24/62/134422462.db2.gz BQTWMFMHIJLVAG-JTQLQIEISA-N 1 0 315.414 1.297 10 0 DDAERO [NH3+]Cc1nc(N2CCN(CC(F)(F)F)CC2)ccc1Cl ZINC000061948156 134804503 /nfs/dbraw/zinc/80/45/03/134804503.db2.gz FECKRGHFEJITTF-UHFFFAOYSA-N 1 0 308.735 1.878 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH2+]CCC(=O)N[C@@H](C)CC)C12CCOCC2 ZINC000248985749 286279906 /nfs/dbraw/zinc/27/99/06/286279906.db2.gz JWGJPPVRMUMVSS-RRFJBIMHSA-N 1 0 312.454 1.855 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)C[C@@H]2CSCCS2)CCO1 ZINC000152084542 407559302 /nfs/dbraw/zinc/55/93/02/407559302.db2.gz JIDKAJUPVZJWEW-VXGBXAGGSA-N 1 0 304.481 1.014 10 0 DDAERO CCO[C@H]1C[C@@H](NC(=O)C2(C[NH3+])CCOCC2)C1(CC)CC ZINC000262047226 286474765 /nfs/dbraw/zinc/47/47/65/286474765.db2.gz ZFLBRJYFRMJRHA-KGLIPLIRSA-N 1 0 312.454 1.842 10 0 DDAERO CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CCCC[C@@H]2O)CC1 ZINC000077803689 407010435 /nfs/dbraw/zinc/01/04/35/407010435.db2.gz XKAHKRPSLXCQGZ-HOTGVXAUSA-N 1 0 311.470 1.959 10 0 DDAERO CNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000084963650 407096699 /nfs/dbraw/zinc/09/66/99/407096699.db2.gz VZXBPJQFHMFMGY-CVEARBPZSA-N 1 0 306.406 1.022 10 0 DDAERO C[C@H](NC(=O)C(=O)N1CCC[NH2+]CC1)c1ccccc1Cl ZINC000049513687 407122073 /nfs/dbraw/zinc/12/20/73/407122073.db2.gz SZFJJYNSFWSSFY-NSHDSACASA-N 1 0 309.797 1.339 10 0 DDAERO CCOC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000047796510 407080854 /nfs/dbraw/zinc/08/08/54/407080854.db2.gz RDAOFMBIFYXTSJ-OLZOCXBDSA-N 1 0 302.415 1.373 10 0 DDAERO COCC[NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000095082270 407206027 /nfs/dbraw/zinc/20/60/27/407206027.db2.gz LGUAQEZYXGADPP-JTQLQIEISA-N 1 0 315.211 1.862 10 0 DDAERO CCOc1cc(CN2CC[NH+](C[C@H](O)CC)CC2)ccc1OC ZINC000123530830 407331294 /nfs/dbraw/zinc/33/12/94/407331294.db2.gz IYRBRZWALBTFEL-MRXNPFEDSA-N 1 0 322.449 1.982 10 0 DDAERO Cc1ccccc1C(=O)NCC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000097359358 407292261 /nfs/dbraw/zinc/29/22/61/407292261.db2.gz HRRAZIBYVSQJSP-OAHLLOKOSA-N 1 0 319.449 1.817 10 0 DDAERO CCn1cc(CN2CCCN(C(=O)c3cnsn3)CC2)cn1 ZINC000105830672 407355189 /nfs/dbraw/zinc/35/51/89/407355189.db2.gz IZHFYFUOTINFLR-UHFFFAOYSA-N 1 0 320.422 1.103 10 0 DDAERO CC[C@@H]1CN(CC(=O)N2CCC(C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000105825660 407355932 /nfs/dbraw/zinc/35/59/32/407355932.db2.gz ICXNOYIJZSTTLH-HZPDHXFCSA-N 1 0 311.470 1.022 10 0 DDAERO COC(=O)[C@H](C)CN(C)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106907171 407366576 /nfs/dbraw/zinc/36/65/76/407366576.db2.gz FUPRJJYGHOFZMP-HIFRSBDPSA-N 1 0 306.406 1.427 10 0 DDAERO CC1CCC(N2C[C@H](C(=O)N3CC[C@H]([NH+](C)C)C3)CC2=O)CC1 ZINC000108994242 407393755 /nfs/dbraw/zinc/39/37/55/407393755.db2.gz ILURODUFJDFZDY-KNIAUWFNSA-N 1 0 321.465 1.576 10 0 DDAERO COc1ccc(Cl)c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000112362183 407427402 /nfs/dbraw/zinc/42/74/02/407427402.db2.gz VQEHPUVQWXLQFE-SNVBAGLBSA-N 1 0 318.826 1.673 10 0 DDAERO Cc1cc(NC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)no1 ZINC000112712132 407437119 /nfs/dbraw/zinc/43/71/19/407437119.db2.gz BRVOTCNXBRBLEB-NSHDSACASA-N 1 0 310.398 1.540 10 0 DDAERO O=S(=O)(c1c(F)cccc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000185619373 407464070 /nfs/dbraw/zinc/46/40/70/407464070.db2.gz NQEXJIKXOJOSBH-SNVBAGLBSA-N 1 0 318.801 1.948 10 0 DDAERO Cc1cc(C)n2nc(C(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)nc2n1 ZINC000113227788 407476143 /nfs/dbraw/zinc/47/61/43/407476143.db2.gz XWBHTSHIPPYEPE-QWHCGFSZSA-N 1 0 314.393 1.050 10 0 DDAERO C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC1)c1nnc2n1CCCC2 ZINC000185563172 407451990 /nfs/dbraw/zinc/45/19/90/407451990.db2.gz YCQKEUVKOHMHFE-GFCCVEGCSA-N 1 0 320.441 1.411 10 0 DDAERO O[C@H](COC[C@H]1CCCO1)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195512824 407460922 /nfs/dbraw/zinc/46/09/22/407460922.db2.gz ZCYNHCZLXJNOQY-LSDHHAIUSA-N 1 0 309.410 1.146 10 0 DDAERO Cc1cc(C)nc(N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000261608517 407552075 /nfs/dbraw/zinc/55/20/75/407552075.db2.gz AQUNJQKMZWYRCT-HUUCEWRRSA-N 1 0 317.437 1.178 10 0 DDAERO CC(C)CNC(=O)[C@H](C)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261694097 407581173 /nfs/dbraw/zinc/58/11/73/407581173.db2.gz JFCFEPVHKRZFJV-UAGQMJEPSA-N 1 0 303.450 1.821 10 0 DDAERO CC(=O)Nc1ccc(CNC(=O)[C@@H]([NH3+])C2CCOCC2)cc1 ZINC000261703127 407586591 /nfs/dbraw/zinc/58/65/91/407586591.db2.gz IGJZCBURVGQGHO-HNNXBMFYSA-N 1 0 305.378 1.015 10 0 DDAERO Cc1ccccc1C(=O)N[C@@H](C(=O)NCC[C@H](C)[NH3+])C(C)C ZINC000178638613 407522049 /nfs/dbraw/zinc/52/20/49/407522049.db2.gz JXBBTNCAHWYYDB-DZGCQCFKSA-N 1 0 305.422 1.603 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc3ncsc3c2)C1 ZINC000170843902 407526947 /nfs/dbraw/zinc/52/69/47/407526947.db2.gz YBKOIHQWNOOQRD-LLVKDONJSA-N 1 0 318.402 1.397 10 0 DDAERO CN(C)C(=O)c1ccc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)[nH]1 ZINC000128395464 407531048 /nfs/dbraw/zinc/53/10/48/407531048.db2.gz ZZKXZPPAYYSUCL-GFCCVEGCSA-N 1 0 301.394 1.440 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cnc(-c3ccccn3)s2)C1 ZINC000170868599 407538683 /nfs/dbraw/zinc/53/86/83/407538683.db2.gz LGISXIBZNBDUOX-LLVKDONJSA-N 1 0 302.403 1.981 10 0 DDAERO Cc1cc(S(=O)(=O)N2C[C@H](C)[C@H]([NH3+])C2)ccc1OC(C)C ZINC000261600458 407546615 /nfs/dbraw/zinc/54/66/15/407546615.db2.gz WYWQJYKKWXVVDP-GXTWGEPZSA-N 1 0 312.435 1.750 10 0 DDAERO C[C@H](NC(=O)[C@H]([NH3+])C1CCOCC1)c1ccc2c(c1)OCO2 ZINC000261768058 407606952 /nfs/dbraw/zinc/60/69/52/407606952.db2.gz MDMDLLSTMMMOEF-ZUZCIYMTSA-N 1 0 306.362 1.346 10 0 DDAERO CN(C)C(=O)[C@H](c1ccccc1)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000171637058 407729114 /nfs/dbraw/zinc/72/91/14/407729114.db2.gz KXDHWJZQSSALQM-HOTGVXAUSA-N 1 0 305.422 1.078 10 0 DDAERO COCCOc1ccc(NC(=O)C2([NH3+])CCOCC2)cc1F ZINC000261916512 407669825 /nfs/dbraw/zinc/66/98/25/407669825.db2.gz UNFNSJXQWYQQHX-UHFFFAOYSA-N 1 0 312.341 1.297 10 0 DDAERO C[C@@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)c1ccc(F)cc1F ZINC000261922704 407672978 /nfs/dbraw/zinc/67/29/78/407672978.db2.gz YXDRDTBTTSENLS-ZUZCIYMTSA-N 1 0 312.360 1.938 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(-n2cncn2)c1 ZINC000115385990 407675667 /nfs/dbraw/zinc/67/56/67/407675667.db2.gz ICUFNHDFSLLBNR-XJKSGUPXSA-N 1 0 311.389 1.576 10 0 DDAERO CN(C)C(=O)Cc1ccc(NC(=O)[C@H]([NH3+])C2CCOCC2)cc1 ZINC000261931937 407678508 /nfs/dbraw/zinc/67/85/08/407678508.db2.gz ZWMNJODYSUQLDA-MRXNPFEDSA-N 1 0 319.405 1.010 10 0 DDAERO Cc1noc(C2CC2)c1NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000130403041 407685951 /nfs/dbraw/zinc/68/59/51/407685951.db2.gz MOZALIBOLXYBKE-UHFFFAOYSA-N 1 0 322.409 1.686 10 0 DDAERO C[C@H]1CN(Cc2cc3c(c(Br)c2)OCO3)C[C@@H]1[NH3+] ZINC000262082540 407735905 /nfs/dbraw/zinc/73/59/05/407735905.db2.gz TXMIXSIANOOCHO-KWQFWETISA-N 1 0 313.195 1.957 10 0 DDAERO CC[NH+](CC)CCCNC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116520364 407760638 /nfs/dbraw/zinc/76/06/38/407760638.db2.gz OBIIWHDBIXLTER-CQSZACIVSA-N 1 0 307.442 1.651 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(-c3cccs3)n[nH]2)CCO1 ZINC000116783809 407772556 /nfs/dbraw/zinc/77/25/56/407772556.db2.gz QMZCNXSFMRMUQA-LLVKDONJSA-N 1 0 320.418 1.541 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)[C@@H](C)CSC)C[C@H]1CC ZINC000116767670 407774267 /nfs/dbraw/zinc/77/42/67/407774267.db2.gz FKCCATNVAMDPGJ-UONOGXRCSA-N 1 0 302.484 1.945 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC000262245753 407776714 /nfs/dbraw/zinc/77/67/14/407776714.db2.gz IDCHHBWVBCUGKT-GFCCVEGCSA-N 1 0 309.366 1.785 10 0 DDAERO Cc1[nH]c2ccccc2c1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116792136 407781217 /nfs/dbraw/zinc/78/12/17/407781217.db2.gz JAKJPGUFRADGEJ-ZDUSSCGKSA-N 1 0 301.390 1.879 10 0 DDAERO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCC3)CCO1 ZINC000116901085 407794195 /nfs/dbraw/zinc/79/41/95/407794195.db2.gz GQXZCXDDZDSRED-HNNXBMFYSA-N 1 0 324.446 1.126 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1nccn1Cc1ccccc1Cl ZINC000262298337 407787145 /nfs/dbraw/zinc/78/71/45/407787145.db2.gz NPSGNTPOEOBCLQ-GFCCVEGCSA-N 1 0 308.769 1.497 10 0 DDAERO CCOC(=O)CN(CC)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000171982679 407797643 /nfs/dbraw/zinc/79/76/43/407797643.db2.gz WTXOYXNADIMDBI-OAHLLOKOSA-N 1 0 306.406 1.571 10 0 DDAERO COc1cccc(F)c1[C@H](C)NC(=O)C1(C[NH3+])CCOCC1 ZINC000262368161 407813848 /nfs/dbraw/zinc/81/38/48/407813848.db2.gz VUWODKDDWQASSM-NSHDSACASA-N 1 0 310.369 1.767 10 0 DDAERO CCn1c(C)nnc1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000172425855 407829395 /nfs/dbraw/zinc/82/93/95/407829395.db2.gz VBVHXSCZCPAZBT-UHFFFAOYSA-N 1 0 307.442 1.151 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000262440082 407836843 /nfs/dbraw/zinc/83/68/43/407836843.db2.gz USXKXRDEXBUSTN-ZWNOBZJWSA-N 1 0 304.350 1.327 10 0 DDAERO CC[C@H]1CN(Cc2cn(C)nc2C(C)(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000180085715 407853293 /nfs/dbraw/zinc/85/32/93/407853293.db2.gz HCGIDARGKQWQNT-ZBFHGGJFSA-N 1 0 322.497 1.995 10 0 DDAERO COc1cc(C)cc(C)c1S(=O)(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000262739274 407912065 /nfs/dbraw/zinc/91/20/65/407912065.db2.gz BKOILUWLQCNDLU-STQMWFEESA-N 1 0 312.435 1.718 10 0 DDAERO C[C@@H]1CC[C@@H](C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)O1 ZINC000180288886 407871433 /nfs/dbraw/zinc/87/14/33/407871433.db2.gz LNAZFHNFWBZMLX-WBVHZDCISA-N 1 0 324.465 1.905 10 0 DDAERO Cc1cnn(CCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000118078598 407882751 /nfs/dbraw/zinc/88/27/51/407882751.db2.gz LBNLYKIGZPABNW-UHFFFAOYSA-N 1 0 319.453 1.709 10 0 DDAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000262644996 407889519 /nfs/dbraw/zinc/88/95/19/407889519.db2.gz UURMMRCHRWBUFA-KCQAQPDRSA-N 1 0 318.421 1.830 10 0 DDAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000262640249 407889647 /nfs/dbraw/zinc/88/96/47/407889647.db2.gz SAQRMEGDDJLREO-ZBEGNZNMSA-N 1 0 304.394 1.440 10 0 DDAERO C[N@H+](CCCN1CCOCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000173670819 407894363 /nfs/dbraw/zinc/89/43/63/407894363.db2.gz ZTIATVKUWXLBKO-INIZCTEOSA-N 1 0 319.453 1.100 10 0 DDAERO CC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCCC1=O ZINC000134476101 407901790 /nfs/dbraw/zinc/90/17/90/407901790.db2.gz VQNRETSDYQSNNV-IRXDYDNUSA-N 1 0 320.433 1.243 10 0 DDAERO Cc1cccc2[nH]c(CCC(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)nc21 ZINC000262734516 407913245 /nfs/dbraw/zinc/91/32/45/407913245.db2.gz IJJYSTWFYLPHBV-QWHCGFSZSA-N 1 0 300.406 1.918 10 0 DDAERO CCOCCOCCN(C)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000188892795 407982821 /nfs/dbraw/zinc/98/28/21/407982821.db2.gz BUVQGGDMRSKXMW-AWEZNQCLSA-N 1 0 301.431 1.165 10 0 DDAERO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(F)c(F)cc2F)CC[NH2+]1 ZINC000262745256 407914103 /nfs/dbraw/zinc/91/41/03/407914103.db2.gz ACGICIXKQMKDLG-YUMQZZPRSA-N 1 0 308.325 1.523 10 0 DDAERO COc1ccccc1NCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000174355161 407938104 /nfs/dbraw/zinc/93/81/04/407938104.db2.gz COCKZZPQBZALME-UONOGXRCSA-N 1 0 321.421 1.021 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CCC3)CCO1 ZINC000118793794 407944450 /nfs/dbraw/zinc/94/44/50/407944450.db2.gz CPNMTDNPXHQCEH-MRXNPFEDSA-N 1 0 303.406 1.970 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCNC(=O)c1ccco1 ZINC000175032822 408031922 /nfs/dbraw/zinc/03/19/22/408031922.db2.gz MSIAYTWLFYVQQU-ZIAGYGMSSA-N 1 0 319.405 1.485 10 0 DDAERO C[C@@H]1Oc2ccccc2O[C@H]1c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263142252 408037747 /nfs/dbraw/zinc/03/77/47/408037747.db2.gz CJUKIGGAOFPBGM-MISXGVKJSA-N 1 0 316.361 1.547 10 0 DDAERO COc1ccc(Cc2nc([C@@H]3C[NH2+]CCN3C)no2)cc1OC ZINC000263162368 408043417 /nfs/dbraw/zinc/04/34/17/408043417.db2.gz DXLFMRVKOWFKPX-LBPRGKRZSA-N 1 0 318.377 1.254 10 0 DDAERO CC[C@H]1CN(c2ccc(C(=O)N(C)C)cn2)CC[N@@H+]1CCOC ZINC000174737140 407985117 /nfs/dbraw/zinc/98/51/17/407985117.db2.gz IAFNAFUJWWZRNI-HNNXBMFYSA-N 1 0 320.437 1.330 10 0 DDAERO C[N@H+](CCNC(=O)N1CCC[C@@H](n2cncn2)C1)C1CCCC1 ZINC000174758154 407987356 /nfs/dbraw/zinc/98/73/56/407987356.db2.gz ITDCJVFMOXBROU-OAHLLOKOSA-N 1 0 320.441 1.499 10 0 DDAERO C[C@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)c1nc(-c2ccccc2)no1 ZINC000188983481 407990524 /nfs/dbraw/zinc/99/05/24/407990524.db2.gz DCKDVDHKCHAPDY-KGYLQXTDSA-N 1 0 318.352 1.656 10 0 DDAERO CCc1nc2n(n1)C[C@H](NC(=O)C[NH+]1CCC(C)CC1)CC2 ZINC000119106718 407995471 /nfs/dbraw/zinc/99/54/71/407995471.db2.gz 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CN(C)C(=O)c1ccc(NC[C@H](c2cnn(C)c2)[NH+](C)C)nc1 ZINC000301251729 410683406 /nfs/dbraw/zinc/68/34/06/410683406.db2.gz ACBCHNNQSUSHNR-CQSZACIVSA-N 1 0 316.409 1.232 10 0 DDAERO CO[C@H]1C[C@@H](C(=O)NCc2ccccc2-n2ccnc2)[N@H+](C)C1 ZINC000344187705 411017047 /nfs/dbraw/zinc/01/70/47/411017047.db2.gz NCXNYDDUPFZNSH-HOCLYGCPSA-N 1 0 314.389 1.208 10 0 DDAERO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(Br)cn1C ZINC000131959692 196214700 /nfs/dbraw/zinc/21/47/00/196214700.db2.gz RHUWVGSYDPOXQS-DTWKUNHWSA-N 1 0 300.200 1.597 10 0 DDAERO [NH3+]C1(C(=O)Nc2ccc(OC(F)F)c(F)c2)CCOCC1 ZINC000132149157 196230530 /nfs/dbraw/zinc/23/05/30/196230530.db2.gz DSRVMRSLUPZRET-UHFFFAOYSA-N 1 0 304.268 1.874 10 0 DDAERO CC(C)[N@H+]1C[C@H](NC(=O)NCCc2cccc(O)c2)[C@@H](C)C1 ZINC000132364667 196250050 /nfs/dbraw/zinc/25/00/50/196250050.db2.gz CJKHONULNZZWEH-BBRMVZONSA-N 1 0 305.422 1.963 10 0 DDAERO O=S(=O)(NC[C@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000133751276 196333762 /nfs/dbraw/zinc/33/37/62/196333762.db2.gz IVBHBPISVIHYJU-VIFPVBQESA-N 1 0 319.224 1.337 10 0 DDAERO CC(C)([NH3+])c1cn(CC(=O)Nc2ccc(F)c(Cl)c2)nn1 ZINC000070117997 418487791 /nfs/dbraw/zinc/48/77/91/418487791.db2.gz ANMXRDWPGBTZNH-UHFFFAOYSA-N 1 0 311.748 1.903 10 0 DDAERO CC[C@H]1CN(c2ncc(Br)c(OC)n2)CC[C@H]1[NH3+] ZINC000300257552 418588556 /nfs/dbraw/zinc/58/85/56/418588556.db2.gz GCKKFYVIRHHKMN-WCBMZHEXSA-N 1 0 315.215 1.811 10 0 DDAERO O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)NCCc1ccco1 ZINC000426518878 419496825 /nfs/dbraw/zinc/49/68/25/419496825.db2.gz ZERGIYCONNIWTK-ZDUSSCGKSA-N 1 0 302.378 1.302 10 0 DDAERO COc1cc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)cc(OC)c1OC ZINC000299517176 229174258 /nfs/dbraw/zinc/17/42/58/229174258.db2.gz PIEKPNLAXKIOCE-DGCLKSJQSA-N 1 0 322.405 1.984 10 0 DDAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCCO[C@@H]1c1ccncc1 ZINC000299749375 229394141 /nfs/dbraw/zinc/39/41/41/229394141.db2.gz KDEXUUKVDWEIGX-AEGPPILISA-N 1 0 312.435 1.715 10 0 DDAERO Fc1cc(Br)ccc1CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000415138132 419961785 /nfs/dbraw/zinc/96/17/85/419961785.db2.gz GWUNXJMJCNPQBU-QWHCGFSZSA-N 1 0 315.186 1.761 10 0 DDAERO Ic1ccc(NC[C@H]2CCC[NH2+]2)nc1 ZINC000420168470 420139198 /nfs/dbraw/zinc/13/91/98/420139198.db2.gz UDFCGOAFLGPCNF-SECBINFHSA-N 1 0 303.147 1.850 10 0 DDAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cncc(Br)c1 ZINC000572782564 421863089 /nfs/dbraw/zinc/86/30/89/421863089.db2.gz WJODWHMICWJITH-GXFFZTMASA-N 1 0 314.227 1.825 10 0 DDAERO CCc1ccc(S(=O)(=O)N2C[C@H](OC)C[C@]2(C)C[NH3+])s1 ZINC000630358886 422045203 /nfs/dbraw/zinc/04/52/03/422045203.db2.gz KGWOIRFVZMXVKT-ZWNOBZJWSA-N 1 0 318.464 1.437 10 0 DDAERO CO[C@@H]1CN(C(=O)[C@@H](C)OCc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630368537 422055856 /nfs/dbraw/zinc/05/58/56/422055856.db2.gz HLMHFXXVMKOISM-KMFMINBZSA-N 1 0 306.406 1.556 10 0 DDAERO C[C@H](NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)[C@H]1CCCO1 ZINC000637930583 422486765 /nfs/dbraw/zinc/48/67/65/422486765.db2.gz ZPWDOHVIUCOJFO-CWRNSKLLSA-N 1 0 305.422 1.129 10 0 DDAERO O[C@@H](COCc1ccccc1)C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634750781 422617846 /nfs/dbraw/zinc/61/78/46/422617846.db2.gz DVPXMAPHWRLQNK-CABCVRRESA-N 1 0 315.360 1.920 10 0 DDAERO CCCCNC(=O)C1CC[NH+](Cc2c(C)nn(C)c2OC)CC1 ZINC000179331005 263357840 /nfs/dbraw/zinc/35/78/40/263357840.db2.gz XDZMNXPYJSUJNB-UHFFFAOYSA-N 1 0 322.453 1.865 10 0 DDAERO COC(=O)N1CCC([C@H](C)[NH2+]Cc2nnnn2C(C)C)CC1 ZINC000186404816 263399014 /nfs/dbraw/zinc/39/90/14/263399014.db2.gz JDLBRACTJJZXPX-NSHDSACASA-N 1 0 310.402 1.211 10 0 DDAERO CCN(CCC[NH+](C)C)C(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000188902106 263432898 /nfs/dbraw/zinc/43/28/98/263432898.db2.gz VGVNMYZIAGAJND-AWEZNQCLSA-N 1 0 320.437 1.997 10 0 DDAERO C[C@@H]1CC(C[NH2+]Cc2ccc(S(N)(=O)=O)o2)C[C@@H](C)O1 ZINC000639135141 423324510 /nfs/dbraw/zinc/32/45/10/423324510.db2.gz HANHAGYTYAACNY-NXEZZACHSA-N 1 0 302.396 1.220 10 0 DDAERO CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2ccc(C(=O)N(C)C)[nH]2)C1 ZINC000643772689 423332872 /nfs/dbraw/zinc/33/28/72/423332872.db2.gz OKOHBARQEHNOJI-OCCSQVGLSA-N 1 0 317.393 1.402 10 0 DDAERO Cc1cc(C)c(C[N@@H+]2CC[C@H](n3cc(C(N)=O)nn3)C2)c(C)n1 ZINC000639680106 423652002 /nfs/dbraw/zinc/65/20/02/423652002.db2.gz VFDNLQJOKIWPTE-ZDUSSCGKSA-N 1 0 314.393 1.144 10 0 DDAERO CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](n2ccnn2)C1)c1ccc(F)cc1 ZINC000639742328 423702281 /nfs/dbraw/zinc/70/22/81/423702281.db2.gz OSPOVCQLNNSSMS-KFWWJZLASA-N 1 0 306.341 1.023 10 0 DDAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1nn(C)cc1Br ZINC000662774834 424763335 /nfs/dbraw/zinc/76/33/35/424763335.db2.gz PCFUEIFHPYCUAE-APPZFPTMSA-N 1 0 301.188 1.053 10 0 DDAERO CCCN1CCCN(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)CC1=O ZINC000341584149 271127766 /nfs/dbraw/zinc/12/77/66/271127766.db2.gz LESUAEDKBJOQKK-KGLIPLIRSA-N 1 0 310.442 1.123 10 0 DDAERO CO[C@@H]1C[C@@H](c2nncn2C)N(CC[NH+]2CCC(C)CC2)C1 ZINC000344562714 272060454 /nfs/dbraw/zinc/06/04/54/272060454.db2.gz FOAQEXXNZGUSOI-CABCVRRESA-N 1 0 307.442 1.309 10 0 DDAERO COc1nc(N2CCC[C@H](C[NH3+])C2)ncc1Br ZINC000235022538 274167793 /nfs/dbraw/zinc/16/77/93/274167793.db2.gz JPKQNYRARIJCRJ-MRVPVSSYSA-N 1 0 301.188 1.423 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(N(C)C)n1 ZINC000152537474 274373954 /nfs/dbraw/zinc/37/39/54/274373954.db2.gz IFZQSVHPSWPERI-CHWSQXEVSA-N 1 0 303.410 1.848 10 0 DDAERO CC1CC[NH+](CCNC(=O)N[C@@H]2CCCn3ncnc32)CC1 ZINC000177349260 276197824 /nfs/dbraw/zinc/19/78/24/276197824.db2.gz ACLWPAPEBVCIQA-CYBMUJFWSA-N 1 0 306.414 1.144 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)CCO1 ZINC000172306529 276798292 /nfs/dbraw/zinc/79/82/92/276798292.db2.gz HHNZRBJBQBNQAX-CQSZACIVSA-N 1 0 320.389 1.251 10 0 DDAERO CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261943485 278304693 /nfs/dbraw/zinc/30/46/93/278304693.db2.gz XWJYFVJMWUANGN-KGLIPLIRSA-N 1 0 323.481 1.999 10 0 DDAERO CC1(C)CN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CC[C@H]1[NH3+] ZINC000262174818 278316618 /nfs/dbraw/zinc/31/66/18/278316618.db2.gz YRZHZYHNVUXNGX-UONOGXRCSA-N 1 0 307.438 1.221 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000194190112 279123991 /nfs/dbraw/zinc/12/39/91/279123991.db2.gz YRUDXBQGPXYNFW-HUUCEWRRSA-N 1 0 324.469 1.415 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000194190142 279124185 /nfs/dbraw/zinc/12/41/85/279124185.db2.gz YRUDXBQGPXYNFW-CABCVRRESA-N 1 0 324.469 1.415 10 0 DDAERO Cc1c([C@H]2[C@H](C[NH2+][C@@H]3CCCSC3)CC(=O)N2C)cnn1C ZINC000328618093 280257635 /nfs/dbraw/zinc/25/76/35/280257635.db2.gz DJEYLAIYGZVCSH-WOSRLPQWSA-N 1 0 322.478 1.733 10 0 DDAERO Cc1cc(F)cc(C)c1S(=O)(=O)N1CCCC[C@H]1C[NH3+] ZINC000229328165 280516422 /nfs/dbraw/zinc/51/64/22/280516422.db2.gz LLYJOAWCTAKWPM-ZDUSSCGKSA-N 1 0 300.399 1.944 10 0 DDAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000105933560 281051658 /nfs/dbraw/zinc/05/16/58/281051658.db2.gz AGXSBSCBJDZERZ-OFQRWUPVSA-N 1 0 317.433 1.273 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(NC(N)=O)c1 ZINC000175038896 288310526 /nfs/dbraw/zinc/31/05/26/288310526.db2.gz OQCVPOSJRZDQIM-LSDHHAIUSA-N 1 0 316.405 1.876 10 0 DDAERO CN(C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000333569725 288848665 /nfs/dbraw/zinc/84/86/65/288848665.db2.gz MHJKHPYIZKEYNK-UMVBOHGHSA-N 1 0 324.469 1.463 10 0 DDAERO FC(F)(F)c1cccnc1N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261764965 294688916 /nfs/dbraw/zinc/68/89/16/294688916.db2.gz VHFMRFGKCZEFSB-LLVKDONJSA-N 1 0 300.328 1.584 10 0 DDAERO CC(C)c1nc2c(n1C)CCN(C(=O)[C@H]1CCC[C@@H]([NH3+])C1)C2 ZINC000168409241 298217655 /nfs/dbraw/zinc/21/76/55/298217655.db2.gz QRPBIQUMOFBZOY-QWHCGFSZSA-N 1 0 304.438 1.946 10 0 DDAERO C[C@H]1CN(C)c2ccccc2N(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000261754113 300228969 /nfs/dbraw/zinc/22/89/69/300228969.db2.gz LJSZVXJDZIHGND-ZENOOKHLSA-N 1 0 303.406 1.612 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CN(C)C(=O)OC(C)(C)C ZINC000247032692 300318304 /nfs/dbraw/zinc/31/83/04/300318304.db2.gz GIWMJSWQPMUZTM-STQMWFEESA-N 1 0 311.426 1.548 10 0 DDAERO CCCNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400704911 302370416 /nfs/dbraw/zinc/37/04/16/302370416.db2.gz KRGCXTVVXKPWRO-OLZOCXBDSA-N 1 0 313.442 1.748 10 0 DDAERO Cn1cc([C@H]2CCCN2C(=O)NCCC2CC[NH+](C)CC2)cn1 ZINC000171379179 302935639 /nfs/dbraw/zinc/93/56/39/302935639.db2.gz YWZRFLLBFFGJKJ-MRXNPFEDSA-N 1 0 319.453 1.999 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nn(C)cc1Br ZINC000393613540 307295172 /nfs/dbraw/zinc/29/51/72/307295172.db2.gz KEBZEHVYBJLFRS-QWRGUYRKSA-N 1 0 313.243 1.851 10 0 DDAERO O[C@@H]1CC[C@H]2CN(Cc3nnnn3Cc3ccccc3)C[C@H]2C1 ZINC000398712742 337312408 /nfs/dbraw/zinc/31/24/08/337312408.db2.gz AEUFBFBTDIZQOM-ARFHVFGLSA-N 1 0 313.405 1.314 10 0 DDAERO COCCCNC(=O)C[C@@H]1[NH2+]CCc2cc(OC)c(OC)cc21 ZINC000584619996 337371532 /nfs/dbraw/zinc/37/15/32/337371532.db2.gz SPLRLITYWNSUGC-AWEZNQCLSA-N 1 0 322.405 1.433 10 0 DDAERO Nc1c2cccnc2sc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000094468186 484016987 /nfs/dbraw/zinc/01/69/87/484016987.db2.gz NRSOMCFIZFHLIX-JTQLQIEISA-N 1 0 302.403 1.799 10 0 DDAERO CC(C)[C@H]([NH3+])CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000136345143 484034955 /nfs/dbraw/zinc/03/49/55/484034955.db2.gz LWVWIFYWIUUQDT-CYBMUJFWSA-N 1 0 313.423 1.249 10 0 DDAERO CCOCCN1CCN(C(=O)c2ccc(C[NH3+])o2)C[C@H]1CC ZINC000168081943 484088367 /nfs/dbraw/zinc/08/83/67/484088367.db2.gz CRSZIUAUCOLUFL-CYBMUJFWSA-N 1 0 309.410 1.311 10 0 DDAERO COc1cc(Cl)c(CNC[C@@H]2C[NH2+]C[C@H]2O)cc1Cl ZINC000262069829 484261105 /nfs/dbraw/zinc/26/11/05/484261105.db2.gz CBWQSGRKLQNPEF-BXKDBHETSA-N 1 0 305.205 1.672 10 0 DDAERO Cc1ccccc1-c1nc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cs1 ZINC000262078499 484261460 /nfs/dbraw/zinc/26/14/60/484261460.db2.gz CFJGDLNIJMWOKG-RISCZKNCSA-N 1 0 317.414 1.429 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000262094499 484262081 /nfs/dbraw/zinc/26/20/81/484262081.db2.gz DFWZNLGFZGQBPQ-NBMRYCAZSA-N 1 0 310.397 1.640 10 0 DDAERO Cc1ccc(-c2nc(C)c(C(=O)NC[C@@H]3C[NH2+]C[C@@H]3O)s2)o1 ZINC000262285483 484268012 /nfs/dbraw/zinc/26/80/12/484268012.db2.gz OFVWFYUTNRNSHA-QWRGUYRKSA-N 1 0 321.402 1.330 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000262374033 484270029 /nfs/dbraw/zinc/27/00/29/484270029.db2.gz WLAMZXNXEPOIDP-ZWNOBZJWSA-N 1 0 321.764 1.305 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc2ccc(Cl)cc2n1 ZINC000262411940 484270853 /nfs/dbraw/zinc/27/08/53/484270853.db2.gz ZGJBXRUPUMWXBZ-QMTHXVAHSA-N 1 0 305.765 1.198 10 0 DDAERO Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000237733582 500998898 /nfs/dbraw/zinc/99/88/98/500998898.db2.gz TZFRJYXQOMLVPD-LLVKDONJSA-N 1 0 305.407 1.415 10 0 DDAERO CCOC(=O)CN(Cc1ccccc1)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000423715613 528805025 /nfs/dbraw/zinc/80/50/25/528805025.db2.gz UXWDTTUUKPCSIU-HOCLYGCPSA-N 1 0 318.417 1.966 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CC(c2ccccc2)=NO1 ZINC000113225961 696655033 /nfs/dbraw/zinc/65/50/33/696655033.db2.gz WDFSSMGFQZRIJV-UNEWFSDZSA-N 1 0 313.401 1.875 10 0 DDAERO O[C@H]1C[NH2+][C@@H](c2nc(Cc3ccc(Br)cc3)no2)C1 ZINC000131713189 696808238 /nfs/dbraw/zinc/80/82/38/696808238.db2.gz DIVVNBRSZYOIFY-GHMZBOCLSA-N 1 0 324.178 1.818 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)Cn1nc(C(F)(F)F)ccc1=O ZINC000178897477 697430284 /nfs/dbraw/zinc/43/02/84/697430284.db2.gz WRWWTBXPDICQBV-NSHDSACASA-N 1 0 318.343 1.636 10 0 DDAERO CNC(=O)[C@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC000178952196 697431462 /nfs/dbraw/zinc/43/14/62/697431462.db2.gz LZRFWZCDXDKDDP-CYBMUJFWSA-N 1 0 313.442 1.746 10 0 DDAERO COCc1ccc(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000192562327 697632991 /nfs/dbraw/zinc/63/29/91/697632991.db2.gz BPGYGMPEMYFKHH-MRXNPFEDSA-N 1 0 321.421 1.801 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(-n3nccn3)cc2)C1 ZINC000194342907 697706122 /nfs/dbraw/zinc/70/61/22/697706122.db2.gz CTQLRUZEWFQNFK-CQSZACIVSA-N 1 0 314.393 1.873 10 0 DDAERO CCCCOC[C@H](O)C[N@H+]1C[C@@H](C)N(CCOC)[C@@H](C)C1 ZINC000195199174 697734290 /nfs/dbraw/zinc/73/42/90/697734290.db2.gz NTUNPLMPYPQQMA-OWCLPIDISA-N 1 0 302.459 1.205 10 0 DDAERO Cc1cc2c(nc(N3CCOCC3)nc2NCCC[NH+](C)C)[nH]1 ZINC000223945879 697763040 /nfs/dbraw/zinc/76/30/40/697763040.db2.gz MAJAAEPMNRKYNQ-UHFFFAOYSA-N 1 0 318.425 1.467 10 0 DDAERO C[C@H](NC(=O)CC1CCCCC1)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000246191179 698345256 /nfs/dbraw/zinc/34/52/56/698345256.db2.gz DDRKEAJYTZMNGQ-AEGPPILISA-N 1 0 309.454 1.705 10 0 DDAERO O[C@@H](C[N@@H+]1CC[C@@H](N2CCOCC2)C1)c1ccc(F)c(F)c1 ZINC000247191049 698363062 /nfs/dbraw/zinc/36/30/62/698363062.db2.gz SUBHYORQEIGUDR-CJNGLKHVSA-N 1 0 312.360 1.405 10 0 DDAERO C[C@H](O)CN1CC[N@H+](CC2CCC3(CC2)OCCO3)C[C@@H]1C ZINC000249066509 698385986 /nfs/dbraw/zinc/38/59/86/698385986.db2.gz PWFBSXHPMKHRBT-GJZGRUSLSA-N 1 0 312.454 1.307 10 0 DDAERO C[NH2+][C@@H](C)CNC(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000261615402 698429184 /nfs/dbraw/zinc/42/91/84/698429184.db2.gz ASLOKMZWSLWNCD-VIFPVBQESA-N 1 0 314.311 1.779 10 0 DDAERO C[NH2+][C@H](C)CNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000261676762 698432626 /nfs/dbraw/zinc/43/26/26/698432626.db2.gz HGMPAKKHPMWDNL-QLFDAEIZSA-N 1 0 321.465 1.433 10 0 DDAERO CCc1nc(C(=O)NC[C@H](C)[NH2+]C)nn1-c1ccccc1F ZINC000261731905 698434990 /nfs/dbraw/zinc/43/49/90/698434990.db2.gz LPLVQPBPKWYGKP-JTQLQIEISA-N 1 0 305.357 1.307 10 0 DDAERO COc1cccc2sc(NC(=O)C3(C[NH3+])CCOCC3)nc21 ZINC000261959057 698447808 /nfs/dbraw/zinc/44/78/08/698447808.db2.gz PGGKCIXAENHWOI-UHFFFAOYSA-N 1 0 321.402 1.999 10 0 DDAERO Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261961576 698447952 /nfs/dbraw/zinc/44/79/52/698447952.db2.gz PQBGHJBMCIZFDP-BSDSXHPESA-N 1 0 304.434 1.775 10 0 DDAERO C[C@H](NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)c1cccs1 ZINC000262032548 698451728 /nfs/dbraw/zinc/45/17/28/698451728.db2.gz FFUKJOMCKAQREL-JTQLQIEISA-N 1 0 316.448 1.092 10 0 DDAERO O=C(NC[C@H]1CCCN(c2ccc(Cl)cn2)C1)[C@@H]1CCC[NH2+]1 ZINC000262135838 698456239 /nfs/dbraw/zinc/45/62/39/698456239.db2.gz LZMSEHKHQHGHSX-OCCSQVGLSA-N 1 0 322.840 1.820 10 0 DDAERO O=S(=O)(NC[C@H]1CC[NH2+]C1)c1ccc(OC(F)F)c(F)c1 ZINC000262174650 698458007 /nfs/dbraw/zinc/45/80/07/698458007.db2.gz AZNBLEWGBSEXRQ-QMMMGPOBSA-N 1 0 324.324 1.315 10 0 DDAERO O=C(NC[C@H]1CCCN(c2ncccc2F)C1)[C@H]1CCC[NH2+]1 ZINC000262360948 698465912 /nfs/dbraw/zinc/46/59/12/698465912.db2.gz WJMRPJYJVFGOCJ-TZMCWYRMSA-N 1 0 306.385 1.305 10 0 DDAERO CN(CCN(C)c1ccccc1)C(=O)C1(C[NH3+])CCOCC1 ZINC000262364777 698466030 /nfs/dbraw/zinc/46/60/30/698466030.db2.gz VLYLITNVAHZJSI-UHFFFAOYSA-N 1 0 305.422 1.337 10 0 DDAERO CN1CCO[C@@H](C[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000300045879 698600008 /nfs/dbraw/zinc/60/00/08/698600008.db2.gz DBXJIAITYZGONT-KGLIPLIRSA-N 1 0 313.442 1.306 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(C)c2Br)C1 ZINC000379144393 699057904 /nfs/dbraw/zinc/05/79/04/699057904.db2.gz CCHJNBFJXGLYTA-VIFPVBQESA-N 1 0 315.215 1.397 10 0 DDAERO CCOC1CC([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 ZINC000702842300 699233829 /nfs/dbraw/zinc/23/38/29/699233829.db2.gz NAQAEYPAIVTSKO-GFJIZPEISA-N 1 0 314.426 1.371 10 0 DDAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000702839929 699233923 /nfs/dbraw/zinc/23/39/23/699233923.db2.gz BNRSUANAPHGQEG-FRRDWIJNSA-N 1 0 314.426 1.371 10 0 DDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)CN(C(=O)OC(C)(C)C)C1 ZINC000706737839 699244554 /nfs/dbraw/zinc/24/45/54/699244554.db2.gz BVKLKYQFQBWBIQ-RQJABVFESA-N 1 0 314.426 1.371 10 0 DDAERO CC(C)(C)OC(=O)NC1CC(C[NH2+][C@@H]2CCOC[C@H]2O)C1 ZINC000711441520 699258293 /nfs/dbraw/zinc/25/82/93/699258293.db2.gz ZAIZAPOVSVQIMP-FIYWTHMPSA-N 1 0 300.399 1.029 10 0 DDAERO CO[C@H]1CN(C(=O)CC(F)(F)C(F)(F)F)[C@@](C)(C[NH3+])C1 ZINC000713187177 699265211 /nfs/dbraw/zinc/26/52/11/699265211.db2.gz JLUUASMWZRHTEB-VXNVDRBHSA-N 1 0 304.259 1.539 10 0 DDAERO [NH3+]C1CCC(C(=O)NCCOC(F)(F)C(F)(F)F)CC1 ZINC000720298205 699305098 /nfs/dbraw/zinc/30/50/98/699305098.db2.gz PUDSGWQPULLAAP-UHFFFAOYSA-N 1 0 304.259 1.792 10 0 DDAERO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2cn(C)nn2)cn1 ZINC000903019754 710998795 /nfs/dbraw/zinc/99/87/95/710998795.db2.gz QRQLHZKWKWUROX-SLEUVZQESA-N 1 0 304.398 1.460 10 0 DDAERO C[C@H](O)[C@H](O)C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F ZINC000930277426 713791644 /nfs/dbraw/zinc/79/16/44/713791644.db2.gz XNPDDESEYWWLOD-GIFSMMMISA-N 1 0 319.323 1.555 10 0 DDAERO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000175887480 282098173 /nfs/dbraw/zinc/09/81/73/282098173.db2.gz WNMGVEHUEDTFCP-KGLIPLIRSA-N 1 0 316.409 1.077 10 0 DDAERO CCC[NH2+][C@@H]1CCOC[C@H]1Sc1n[nH]c(=O)n1CCC ZINC000081879284 192333413 /nfs/dbraw/zinc/33/34/13/192333413.db2.gz XVQFBIAKUBXBBG-GHMZBOCLSA-N 1 0 300.428 1.231 10 0 DDAERO COc1ccc([C@H]([NH3+])CSc2n[nH]c(=O)n2C(C)C)cc1 ZINC000081879502 192334058 /nfs/dbraw/zinc/33/40/58/192334058.db2.gz STUKFKKDELZLNB-GFCCVEGCSA-N 1 0 308.407 1.953 10 0 DDAERO C[NH2+][C@@H](CSc1n[nH]c(=O)n1C)c1cc2ccccc2o1 ZINC000081880799 192334712 /nfs/dbraw/zinc/33/47/12/192334712.db2.gz BOQUIUFVBMMIJT-JTQLQIEISA-N 1 0 304.375 1.907 10 0 DDAERO CCC[NH2+][C@@H]1CCOC[C@H]1S(=O)(=O)c1ccc(F)cc1F ZINC000081932761 192340634 /nfs/dbraw/zinc/34/06/34/192340634.db2.gz UGQXCYLZPKMCIE-TZMCWYRMSA-N 1 0 319.373 1.896 10 0 DDAERO CCCS(=O)(=O)C[C@H]([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000081939700 192343195 /nfs/dbraw/zinc/34/31/95/192343195.db2.gz LOPCRRAQZXRWDL-LBPRGKRZSA-N 1 0 301.408 1.789 10 0 DDAERO CCCOc1ccc([C@@H]([NH3+])CS(=O)(=O)CCOC)cc1 ZINC000081944227 192344861 /nfs/dbraw/zinc/34/48/61/192344861.db2.gz INQJNRHVCKPGQA-AWEZNQCLSA-N 1 0 301.408 1.536 10 0 DDAERO CCOC(=O)[C@H]1CSCCN1C(=O)CC[C@@H](C)CC[NH3+] ZINC000079118299 185159312 /nfs/dbraw/zinc/15/93/12/185159312.db2.gz FRTDRJPKOHKPBO-VXGBXAGGSA-N 1 0 302.440 1.259 10 0 DDAERO CC(C)[NH2+][C@@H](CSc1ncccc1Br)C(N)=O ZINC000079447265 185172107 /nfs/dbraw/zinc/17/21/07/185172107.db2.gz OJWLGEZHBNZBRT-VIFPVBQESA-N 1 0 318.240 1.788 10 0 DDAERO NNc1[nH+]cc(Br)cc1C(=O)N[C@H]1CCCOC1 ZINC000082431651 185181823 /nfs/dbraw/zinc/18/18/23/185181823.db2.gz UDSHOQVCOZSTOJ-QMMMGPOBSA-N 1 0 315.171 1.039 10 0 DDAERO CCC[NH2+][C@H]1CCC(C)(C)C[C@@H]1S(=O)(=O)CC(=O)OC ZINC000081975965 192347435 /nfs/dbraw/zinc/34/74/35/192347435.db2.gz WNFJDYUDEFUOSU-RYUDHWBXSA-N 1 0 305.440 1.521 10 0 DDAERO CC[NH2+][C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1S(=O)(=O)CC(=O)OC ZINC000081976169 192347455 /nfs/dbraw/zinc/34/74/55/192347455.db2.gz WXYJRRHROIDTAI-AGIUHOORSA-N 1 0 319.467 1.767 10 0 DDAERO COC(=O)CCS(=O)(=O)[C@H](C(C)C)[C@H]([NH3+])c1ccccc1 ZINC000081974480 192347473 /nfs/dbraw/zinc/34/74/73/192347473.db2.gz NYOHOWKYZMPPAX-HUUCEWRRSA-N 1 0 313.419 1.689 10 0 DDAERO C[C@@H]1C[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)CC[C@H]1O ZINC000249599437 282182130 /nfs/dbraw/zinc/18/21/30/282182130.db2.gz XTIYWJLQLCAVRH-DAXOMENPSA-N 1 0 313.825 1.920 10 0 DDAERO C[C@H](CCC[C@H](C)[NH3+])C(=O)N(C)CC(=O)NCC(F)(F)F ZINC000087696323 185230726 /nfs/dbraw/zinc/23/07/26/185230726.db2.gz NTJWQZKWXXYQAE-ZJUUUORDSA-N 1 0 311.348 1.277 10 0 DDAERO O=c1cc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)nc2ccccn12 ZINC000152515977 539201374 /nfs/dbraw/zinc/20/13/74/539201374.db2.gz FZHNJMQJWHHGBG-MRXNPFEDSA-N 1 0 322.368 1.743 10 0 DDAERO Cc1nnc(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)n1CC[NH3+] ZINC000087715311 185231003 /nfs/dbraw/zinc/23/10/03/185231003.db2.gz JTDMYXGBJFAJBM-GHMZBOCLSA-N 1 0 311.455 1.142 10 0 DDAERO Cc1ccc(Br)cc1C(=O)N(C)[C@@H]1C[NH2+]C[C@H]1O ZINC000087744012 185231226 /nfs/dbraw/zinc/23/12/26/185231226.db2.gz WQTIBIKHCXYNEC-VXGBXAGGSA-N 1 0 313.195 1.162 10 0 DDAERO CCn1nc(C)c(Br)c1C[S@@](=O)[C@@H](C)C[NH3+] ZINC000088068134 185238630 /nfs/dbraw/zinc/23/86/30/185238630.db2.gz JUKUDTAGTDLGEV-GYKQLYQFSA-N 1 0 308.245 1.570 10 0 DDAERO C[C@@H](C[NH3+])[S@@](=O)CCOc1cccc(Br)c1 ZINC000088067681 185238650 /nfs/dbraw/zinc/23/86/50/185238650.db2.gz OPPFQGNLYLBNBS-XXFAHNHDSA-N 1 0 306.225 1.924 10 0 DDAERO C[C@H](C[NH3+])S(=O)(=O)Cc1ccc(Br)cc1F ZINC000088068757 185238743 /nfs/dbraw/zinc/23/87/43/185238743.db2.gz AWOCYYKWDMFJPU-SSDOTTSWSA-N 1 0 310.188 1.850 10 0 DDAERO CSC[C@@H](C)CNc1nc(NN)[nH+]cc1Br ZINC000087878641 185234127 /nfs/dbraw/zinc/23/41/27/185234127.db2.gz WGVBDXSRDTYSOP-LURJTMIESA-N 1 0 306.233 1.936 10 0 DDAERO COc1ccc(CCN2CC[NH+]([C@H](C)C(N)=S)CC2)cc1 ZINC000088102412 185239705 /nfs/dbraw/zinc/23/97/05/185239705.db2.gz NWBJPCOYDTVTNN-CYBMUJFWSA-N 1 0 307.463 1.530 10 0 DDAERO CC1(C)C[NH2+]CCN1S(=O)(=O)c1ccc(F)cc1Cl ZINC000088139333 185240551 /nfs/dbraw/zinc/24/05/51/185240551.db2.gz KRDGKUUMGUPIPV-UHFFFAOYSA-N 1 0 306.790 1.852 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1OC)C(C)C ZINC000183677517 539243129 /nfs/dbraw/zinc/24/31/29/539243129.db2.gz ZSNXOTHGSNKQQD-MRXNPFEDSA-N 1 0 321.421 1.014 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N2C[C@H](C)OC(C)(C)C2)o1 ZINC000088544265 185256904 /nfs/dbraw/zinc/25/69/04/185256904.db2.gz QSHSYTAHXHXRLT-JTQLQIEISA-N 1 0 302.396 1.187 10 0 DDAERO CC[NH+](CC)C[C@@H](C)NCc1ccc(S(=O)(=O)NC)o1 ZINC000088540602 185255575 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CCOC(=O)CS(=O)(=O)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1[NH3+] ZINC000081977948 192349384 /nfs/dbraw/zinc/34/93/84/192349384.db2.gz AHECBSCCPBMVGU-RWMBFGLXSA-N 1 0 319.467 1.897 10 0 DDAERO CCOC(=O)CS(=O)(=O)C[C@H]([NH2+]C)c1ccc(C)c(C)c1 ZINC000081978009 192349593 /nfs/dbraw/zinc/34/95/93/192349593.db2.gz DGNNXSBGVRULSF-AWEZNQCLSA-N 1 0 313.419 1.542 10 0 DDAERO [NH3+][C@H]1c2ccccc2CCC[C@H]1S(=O)(=O)C1CCOCC1 ZINC000081989964 192350571 /nfs/dbraw/zinc/35/05/71/192350571.db2.gz PILDAWMKPWWPKL-CVEARBPZSA-N 1 0 309.431 1.985 10 0 DDAERO C[NH2+][C@@H]1CCC2(C[C@H]1S(=O)(=O)C1CCCC1)OCCO2 ZINC000081988265 192350865 /nfs/dbraw/zinc/35/08/65/192350865.db2.gz UPJXBWVNCBVUID-CHWSQXEVSA-N 1 0 303.424 1.227 10 0 DDAERO CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1S(=O)(=O)CCC(=O)OC ZINC000082009560 192353153 /nfs/dbraw/zinc/35/31/53/192353153.db2.gz CQNOYCYXBCNDTI-XQQFMLRXSA-N 1 0 305.440 1.521 10 0 DDAERO C[C@@](O)(CO)C[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000090284269 185289309 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DDAERO Cn1cc(Br)cc1C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000148916072 186046547 /nfs/dbraw/zinc/04/65/47/186046547.db2.gz AHGLMNHJTOJZOA-LBPRGKRZSA-N 1 0 300.200 1.645 10 0 DDAERO COc1ccc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1O ZINC000172250269 198066090 /nfs/dbraw/zinc/06/60/90/198066090.db2.gz YCQUZVINGRAMDK-TZMCWYRMSA-N 1 0 319.405 1.779 10 0 DDAERO Clc1cccc(N2CC[NH+](CCCc3nn[nH]n3)CC2)c1 ZINC000034284634 352292033 /nfs/dbraw/zinc/29/20/33/352292033.db2.gz VJCAHRJKVWKNAM-UHFFFAOYSA-N 1 0 306.801 1.608 10 0 DDAERO Cc1ccc(N2CCC[N@@H+](CCC(=O)OC(C)C)CC2)nn1 ZINC000172840639 198156520 /nfs/dbraw/zinc/15/65/20/198156520.db2.gz ZZUHRMXHSQEDQQ-UHFFFAOYSA-N 1 0 306.410 1.639 10 0 DDAERO CC/C=C(\C)C(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000173436547 198214539 /nfs/dbraw/zinc/21/45/39/198214539.db2.gz UWQQDVUZNDUAJF-XEVNVYFWSA-N 1 0 303.410 1.960 10 0 DDAERO O=C(C[N@H+]1CCC[C@H]1C[C@H](O)c1ccccc1)N1CCOCC1 ZINC000174383924 198328913 /nfs/dbraw/zinc/32/89/13/198328913.db2.gz OFKCELPQGRZTKA-IRXDYDNUSA-N 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C[C@@H]([NH3+])c1ccc(-n2ccc(C(N)=O)n2)c(Br)c1 ZINC000085197615 192482605 /nfs/dbraw/zinc/48/26/05/192482605.db2.gz SUKBPNUMEAMECH-SSDOTTSWSA-N 1 0 309.167 1.753 10 0 DDAERO COC(=O)C[C@H]1CCCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000381822051 354628205 /nfs/dbraw/zinc/62/82/05/354628205.db2.gz KZZQXOFMOYWKNN-IAGOWNOFSA-N 1 0 321.417 1.982 10 0 DDAERO CC[NH+](CC)CCn1c(=O)[nH]c2cc(OC)c(OC)cc2c1=O ZINC000073658045 191338498 /nfs/dbraw/zinc/33/84/98/191338498.db2.gz BZETYKAWIVWOCA-UHFFFAOYSA-N 1 0 321.377 1.049 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H](C)C(=O)OC(C)C ZINC000073722442 191347917 /nfs/dbraw/zinc/34/79/17/191347917.db2.gz XRZXEAYCYUKQNH-ZIAGYGMSSA-N 1 0 315.458 1.850 10 0 DDAERO C[C@H]1Oc2ccc([C@H](O)CC[NH+]3CCCC3)cc2N(C)C1=O ZINC000075218200 191443636 /nfs/dbraw/zinc/44/36/36/191443636.db2.gz NZVGBUDNIHHHGM-IUODEOHRSA-N 1 0 304.390 1.950 10 0 DDAERO C[C@@H](O)[C@@H]([NH3+])CNC(=O)c1cc(Br)ccc1Cl ZINC000080698175 192183193 /nfs/dbraw/zinc/18/31/93/192183193.db2.gz PGWHGWWJCJOLHX-LDWIPMOCSA-N 1 0 321.602 1.540 10 0 DDAERO C[C@@H](O)[C@H]([NH3+])CNC(=O)c1cc(Br)ccc1Cl ZINC000080698167 192183828 /nfs/dbraw/zinc/18/38/28/192183828.db2.gz PGWHGWWJCJOLHX-LHLIQPBNSA-N 1 0 321.602 1.540 10 0 DDAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000085360624 192493468 /nfs/dbraw/zinc/49/34/68/192493468.db2.gz IDJMSANKGJBZRU-GHMZBOCLSA-N 1 0 305.769 1.987 10 0 DDAERO CCCNS(=O)(=O)c1ccc(OC[C@](C)([NH3+])CC)cc1 ZINC000080854506 192195195 /nfs/dbraw/zinc/19/51/95/192195195.db2.gz LMWAOYXJUHHJBM-CQSZACIVSA-N 1 0 300.424 1.881 10 0 DDAERO Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])cc1S(N)(=O)=O ZINC000085370788 192497122 /nfs/dbraw/zinc/49/71/22/192497122.db2.gz BKNPJRXEKIKKFZ-NEPJUHHUSA-N 1 0 311.407 1.098 10 0 DDAERO CCCCN(C(=O)[C@H]1CCCCC[NH2+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000080995944 192211669 /nfs/dbraw/zinc/21/16/69/192211669.db2.gz ZKELCTIZVUMZMD-ZIAGYGMSSA-N 1 0 316.467 1.334 10 0 DDAERO C[C@@H]1CC[C@@H]([NH3+])[C@H](N2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC000081533449 192285143 /nfs/dbraw/zinc/28/51/43/192285143.db2.gz JQBZJTBVVSNABM-OPRDCNLKSA-N 1 0 303.332 1.628 10 0 DDAERO CCC[C@@H](C)[C@H](C[NH3+])N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081532129 192285233 /nfs/dbraw/zinc/28/52/33/192285233.db2.gz GPPNFUAUNIKQMH-ZJUUUORDSA-N 1 0 305.348 1.876 10 0 DDAERO [NH3+]C[C@H]1CCCC[C@@H]1N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081531822 192285423 /nfs/dbraw/zinc/28/54/23/192285423.db2.gz XZHIEIPXFLGDMD-ZJUUUORDSA-N 1 0 303.332 1.630 10 0 DDAERO CC(C)[NH2+]C[C@H](C)CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000081538289 192286840 /nfs/dbraw/zinc/28/68/40/192286840.db2.gz FZUBRXXOQWIOLR-JTQLQIEISA-N 1 0 305.348 1.747 10 0 DDAERO CCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)o1)N1CCOCC1 ZINC000236875041 202045609 /nfs/dbraw/zinc/04/56/09/202045609.db2.gz QZTNHJIULICCKD-KBPBESRZSA-N 1 0 309.410 1.205 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H](C)CCOC)cc1 ZINC000081718070 192316755 /nfs/dbraw/zinc/31/67/55/192316755.db2.gz YRCNMZCYJYLPGH-LBPRGKRZSA-N 1 0 300.424 1.499 10 0 DDAERO COCC[C@@H](C)NS(=O)(=O)c1ccc(C[NH2+]C(C)C)cc1 ZINC000081718164 192316981 /nfs/dbraw/zinc/31/69/81/192316981.db2.gz NCYNMRRLMKMRJF-CYBMUJFWSA-N 1 0 314.451 1.888 10 0 DDAERO CC[C@@]1(C)C[NH2+][C@H](c2ccccc2)CN1CCS(C)(=O)=O ZINC000085508066 192513513 /nfs/dbraw/zinc/51/35/13/192513513.db2.gz WLWYEIKKTBGOJK-HOTGVXAUSA-N 1 0 310.463 1.846 10 0 DDAERO CCC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000236995071 202114294 /nfs/dbraw/zinc/11/42/94/202114294.db2.gz XMPYXLPVQSYOJR-BXKDBHETSA-N 1 0 316.398 1.534 10 0 DDAERO [NH3+]C[C@@H](SC[C@H](O)CO)c1ccc(Br)s1 ZINC000086659424 192588191 /nfs/dbraw/zinc/58/81/91/192588191.db2.gz WGJNGJUQSMDMMC-HTRCEHHLSA-N 1 0 312.254 1.597 10 0 DDAERO COCCCNC(=O)COC1(C[NH3+])CCC(C(C)C)CC1 ZINC000086713591 192595220 /nfs/dbraw/zinc/59/52/20/192595220.db2.gz VVMFVFYPTKFSKK-UHFFFAOYSA-N 1 0 300.443 1.699 10 0 DDAERO CC[NH2+]Cc1cccc(CS(=O)(=O)N2CCO[C@H](C)C2)c1 ZINC000088914299 192655179 /nfs/dbraw/zinc/65/51/79/192655179.db2.gz DECHWVBTKBGTLS-CYBMUJFWSA-N 1 0 312.435 1.347 10 0 DDAERO CC[NH2+]Cc1c(C)[nH]nc1S(=O)(=O)N1CCCC[C@@H]1CC ZINC000088942466 192663105 /nfs/dbraw/zinc/66/31/05/192663105.db2.gz LQPHIXLBHPJUHF-LBPRGKRZSA-N 1 0 314.455 1.781 10 0 DDAERO CCC[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C1CCCC1 ZINC000088943683 192663260 /nfs/dbraw/zinc/66/32/60/192663260.db2.gz XAZREIZCTGCDRD-HNNXBMFYSA-N 1 0 317.499 1.960 10 0 DDAERO CCC[NH2+]C[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2C)C1 ZINC000088971988 192675749 /nfs/dbraw/zinc/67/57/49/192675749.db2.gz LGZMRBZPGXMJGT-UONOGXRCSA-N 1 0 303.472 1.427 10 0 DDAERO CC[C@H]1CCCN(S(=O)(=O)N2CCC(C[NH2+]C)CC2)C1 ZINC000088965238 192672346 /nfs/dbraw/zinc/67/23/46/192672346.db2.gz HXNWAHKKEUOJDH-ZDUSSCGKSA-N 1 0 303.472 1.285 10 0 DDAERO COC[C@H](C)N(C)S(=O)(=O)c1ccc(CCC[NH3+])cc1 ZINC000088996744 192688518 /nfs/dbraw/zinc/68/85/18/192688518.db2.gz HVQHWARXODNCDL-LBPRGKRZSA-N 1 0 300.424 1.233 10 0 DDAERO CCC[NH2+]Cc1csc(S(=O)(=O)N(C)[C@H](C)COC)c1 ZINC000088997038 192688825 /nfs/dbraw/zinc/68/88/25/192688825.db2.gz BBZSXVNCDUFDNM-LLVKDONJSA-N 1 0 320.480 1.903 10 0 DDAERO CC[C@@H](C)N(CCOC)S(=O)(=O)c1cc(C[NH2+]C)n(C)c1 ZINC000089005126 192691795 /nfs/dbraw/zinc/69/17/95/192691795.db2.gz JMFWSONNCCOTRG-GFCCVEGCSA-N 1 0 317.455 1.180 10 0 DDAERO CC(C)C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1nc(-c2nc[nH]n2)no1 ZINC000179808029 199083771 /nfs/dbraw/zinc/08/37/71/199083771.db2.gz VNOKRKKWIMDBEN-VWYCJHECSA-N 1 0 306.370 1.709 10 0 DDAERO CCCCCN(C(C)C)S(=O)(=O)N1CCC(C[NH3+])CC1 ZINC000089004123 192692726 /nfs/dbraw/zinc/69/27/26/192692726.db2.gz FTHITRULYSGOEL-UHFFFAOYSA-N 1 0 305.488 1.803 10 0 DDAERO CCC[NH2+]CCCCS(=O)(=O)N(CCOC)[C@@H](C)COC ZINC000089006143 192693240 /nfs/dbraw/zinc/69/32/40/192693240.db2.gz OUUGXJVHNZRHPD-AWEZNQCLSA-N 1 0 324.487 1.079 10 0 DDAERO CN1CCc2ccc(NC(=O)NC[C@@H]3CN(C)CCO3)cc21 ZINC000180303773 199144389 /nfs/dbraw/zinc/14/43/89/199144389.db2.gz XERFRTLDTWBFCI-CQSZACIVSA-N 1 0 304.394 1.131 10 0 DDAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1cnn(Cc2ccccc2)c1 ZINC000180486417 199165167 /nfs/dbraw/zinc/16/51/67/199165167.db2.gz GZYDKWCANSKRNG-YJBOKZPZSA-N 1 0 314.433 1.913 10 0 DDAERO COc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)cc1OC ZINC000180500369 199167910 /nfs/dbraw/zinc/16/79/10/199167910.db2.gz ZVRBPRDJVZDQNF-KGLIPLIRSA-N 1 0 308.422 1.993 10 0 DDAERO COc1cc(F)cc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000180557099 199175886 /nfs/dbraw/zinc/17/58/86/199175886.db2.gz PTDKBYKGEYICJQ-CQSZACIVSA-N 1 0 307.369 1.824 10 0 DDAERO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H](C)N2CCOCC2)o1 ZINC000237349856 202239682 /nfs/dbraw/zinc/23/96/82/202239682.db2.gz WJOFRKADZHPHNC-LBPRGKRZSA-N 1 0 304.394 1.788 10 0 DDAERO C[C@@H]1[NH2+]CC[C@H]1Nc1ncc(I)cn1 ZINC000600957064 358356371 /nfs/dbraw/zinc/35/63/71/358356371.db2.gz LEBGRDTYTVLAAM-POYBYMJQSA-N 1 0 304.135 1.244 10 0 DDAERO COCCn1cc(CN2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)cn1 ZINC000348104879 283370276 /nfs/dbraw/zinc/37/02/76/283370276.db2.gz CZZJSIBOBQOKAI-IRXDYDNUSA-N 1 0 322.453 1.215 10 0 DDAERO CC[C@H]1CN(C(=O)c2ccc(C)c(O)c2)CC[N@@H+]1C[C@@H](C)O ZINC000181133120 199255474 /nfs/dbraw/zinc/25/54/74/199255474.db2.gz ZSVJJSWUECWTRV-HIFRSBDPSA-N 1 0 306.406 1.618 10 0 DDAERO CC[NH2+]Cc1sccc1S(=O)(=O)NC[C@H]1CCCCO1 ZINC000089009288 192695857 /nfs/dbraw/zinc/69/58/57/192695857.db2.gz BJUSDAHDEHISOL-LLVKDONJSA-N 1 0 318.464 1.705 10 0 DDAERO CC[NH2+]CCCCS(=O)(=O)N(CC(F)(F)F)C1CC1 ZINC000089008750 192695247 /nfs/dbraw/zinc/69/52/47/192695247.db2.gz KBHOWFHLLDYXAJ-UHFFFAOYSA-N 1 0 302.362 1.733 10 0 DDAERO CC(C)[NH2+]CCCN(C)S(=O)(=O)N(C)c1cccc(F)c1 ZINC000089021288 192699769 /nfs/dbraw/zinc/69/97/69/192699769.db2.gz OQIQTMYBAQQNCH-UHFFFAOYSA-N 1 0 317.430 1.827 10 0 DDAERO CCCn1cc(S(=O)(=O)N(CC)CCOCC)cc1C[NH3+] ZINC000089037159 192711778 /nfs/dbraw/zinc/71/17/78/192711778.db2.gz RQXDUPAZHUDXPS-UHFFFAOYSA-N 1 0 317.455 1.404 10 0 DDAERO CNS(=O)(=O)c1ccccc1OC[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089537701 192813393 /nfs/dbraw/zinc/81/33/93/192813393.db2.gz AUINYRCDLFPFEJ-OLZOCXBDSA-N 1 0 312.435 1.739 10 0 DDAERO CCC[NH2+]CCn1nnnc1S[C@@H](C)C(=O)N[C@@H](C)CC ZINC000089686856 192842368 /nfs/dbraw/zinc/84/23/68/192842368.db2.gz MIFSWVUHNYKILA-QWRGUYRKSA-N 1 0 314.459 1.068 10 0 DDAERO Cc1cc(C)n(C[C@H]2CN(C(=O)c3coc(C[NH3+])c3)CCO2)n1 ZINC000188190818 200206398 /nfs/dbraw/zinc/20/63/98/200206398.db2.gz ABCIWKUUQVBRLU-OAHLLOKOSA-N 1 0 318.377 1.093 10 0 DDAERO Cc1nc(C[C@H]2CCCN(C(=O)[C@H]([NH3+])c3ccccc3)C2)no1 ZINC000237774165 202353066 /nfs/dbraw/zinc/35/30/66/202353066.db2.gz MMWIGPMERFCHPS-CZUORRHYSA-N 1 0 314.389 1.859 10 0 DDAERO CCc1ccccc1CC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000188569526 200267868 /nfs/dbraw/zinc/26/78/68/200267868.db2.gz VFIRQJZAXXLTFR-HUUCEWRRSA-N 1 0 304.434 1.705 10 0 DDAERO Cc1cc(-n2c(C)cc(C(=O)N3CCC[C@H]3C[NH3+])c2C)no1 ZINC000237889877 202381134 /nfs/dbraw/zinc/38/11/34/202381134.db2.gz PQJQHCMJTZMYKQ-ZDUSSCGKSA-N 1 0 302.378 1.954 10 0 DDAERO O=C(NCC[S@](=O)Cc1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000237889610 202381517 /nfs/dbraw/zinc/38/15/17/202381517.db2.gz FPSGDHPPUOGHNP-QRQCRPRQSA-N 1 0 320.458 1.441 10 0 DDAERO CCN(CCC[NH+]1CCCC1)C(=O)NCCn1cc(C)cn1 ZINC000190178740 200497914 /nfs/dbraw/zinc/49/79/14/200497914.db2.gz OCXNDDFTVCZLQP-UHFFFAOYSA-N 1 0 307.442 1.709 10 0 DDAERO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000193289889 201021747 /nfs/dbraw/zinc/02/17/47/201021747.db2.gz CUCBJNQXITYILT-WPRPVWTQSA-N 1 0 323.340 1.506 10 0 DDAERO CCCCOC[C@H](O)C[NH+]1CCN(c2ccccc2O)CC1 ZINC000193356783 201036845 /nfs/dbraw/zinc/03/68/45/201036845.db2.gz XRGXQTMLGRILFW-OAHLLOKOSA-N 1 0 308.422 1.692 10 0 DDAERO CCCCOC[C@H](O)C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000193367885 201039536 /nfs/dbraw/zinc/03/95/36/201039536.db2.gz BHYUNRLLEAXPAR-QGZVFWFLSA-N 1 0 307.438 1.377 10 0 DDAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CCCc1nc(C(C)(C)C)no1 ZINC000193535390 201070415 /nfs/dbraw/zinc/07/04/15/201070415.db2.gz XKUUCHWVXXXFAX-NEPJUHHUSA-N 1 0 308.426 1.947 10 0 DDAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)CCN1C(=O)CCc2ccccc21 ZINC000193573461 201078988 /nfs/dbraw/zinc/07/89/88/201078988.db2.gz GFWFSYCUIOGDEL-UKRRQHHQSA-N 1 0 315.417 1.613 10 0 DDAERO C[NH2+][C@H](C)Cc1noc([C@H]2CCCCN2C(=O)[C@@H]2CCCO2)n1 ZINC000261911808 283678629 /nfs/dbraw/zinc/67/86/29/283678629.db2.gz ZTUYEZOATKKCPR-UPJWGTAASA-N 1 0 322.409 1.453 10 0 DDAERO COC(=O)[C@H](C)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195263108 201368724 /nfs/dbraw/zinc/36/87/24/201368724.db2.gz RJWRLWMRWSPISB-QWHCGFSZSA-N 1 0 311.451 1.767 10 0 DDAERO CCc1nc(CN2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)no1 ZINC000195271932 201370792 /nfs/dbraw/zinc/37/07/92/201370792.db2.gz JWORXWRANULALL-OAHLLOKOSA-N 1 0 315.421 1.981 10 0 DDAERO CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000246280218 202577724 /nfs/dbraw/zinc/57/77/24/202577724.db2.gz MMOKIDNSISMNSI-BFHYXJOUSA-N 1 0 309.454 1.515 10 0 DDAERO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(CO)o1 ZINC000275360232 212290381 /nfs/dbraw/zinc/29/03/81/212290381.db2.gz AXGKCVSFEMRAJU-GJZGRUSLSA-N 1 0 305.378 1.998 10 0 DDAERO COC(=O)c1cc(F)ccc1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000091135319 193001825 /nfs/dbraw/zinc/00/18/25/193001825.db2.gz NSEGPDFBXLJOTE-JTQLQIEISA-N 1 0 312.366 1.646 10 0 DDAERO O=C(C[C@@H]1CSCC[NH2+]1)Nc1ncccc1Br ZINC000091291813 193032879 /nfs/dbraw/zinc/03/28/79/193032879.db2.gz CRBUUSATEAKUET-MRVPVSSYSA-N 1 0 316.224 1.878 10 0 DDAERO O=C(C[C@@H]1C[NH2+]CCO1)Nc1cc2c(cc1Cl)NC(=O)C2 ZINC000091299942 193033921 /nfs/dbraw/zinc/03/39/21/193033921.db2.gz YFXVUEGOHBJLDA-SECBINFHSA-N 1 0 309.753 1.152 10 0 DDAERO CN(Cc1ccc(Br)cc1)[C@H](C[NH3+])CC(N)=O ZINC000091314714 193037789 /nfs/dbraw/zinc/03/77/89/193037789.db2.gz PPBUMDVMFHPAQE-NSHDSACASA-N 1 0 300.200 1.084 10 0 DDAERO CCC[NH2+]Cc1cnn([C@H]2CCS(=O)(=O)C2)c1C(F)F ZINC000091336308 193044006 /nfs/dbraw/zinc/04/40/06/193044006.db2.gz JGCLICUVFSMXOL-JTQLQIEISA-N 1 0 307.366 1.680 10 0 DDAERO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2c(F)cc(N)cc2F)C1 ZINC000091391720 193049885 /nfs/dbraw/zinc/04/98/85/193049885.db2.gz PDAGXYQJDHESIG-JTQLQIEISA-N 1 0 319.377 1.262 10 0 DDAERO C[NH+](C)[C@@H]1CCCN(c2nc(Cl)nc(-n3ccnc3)n2)C1 ZINC000091430250 193054789 /nfs/dbraw/zinc/05/47/89/193054789.db2.gz ARHYDHARDLFGKV-SNVBAGLBSA-N 1 0 307.789 1.241 10 0 DDAERO C[C@H](CN1CCOCC1)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000091512058 193067478 /nfs/dbraw/zinc/06/74/78/193067478.db2.gz NQHCTVIOFALASR-HZPDHXFCSA-N 1 0 304.438 1.536 10 0 DDAERO C[C@](O)(C[NH3+])Cc1nc(-c2ccc(Br)s2)no1 ZINC000091520436 193067829 /nfs/dbraw/zinc/06/78/29/193067829.db2.gz NOCPECNPWBEUJK-SNVBAGLBSA-N 1 0 318.196 1.813 10 0 DDAERO C[C@@](O)(C[NH3+])Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000091523272 193068627 /nfs/dbraw/zinc/06/86/27/193068627.db2.gz FKFHRNKLDOOWBE-JTQLQIEISA-N 1 0 308.691 1.654 10 0 DDAERO CCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000091544510 193071371 /nfs/dbraw/zinc/07/13/71/193071371.db2.gz ZUUNVUSNIPBFFR-GHMZBOCLSA-N 1 0 311.407 1.051 10 0 DDAERO CCCNS(=O)(=O)c1ccccc1N(C)CC1CC([NH3+])C1 ZINC000091474253 193061242 /nfs/dbraw/zinc/06/12/42/193061242.db2.gz HPVRODZLYDDJIP-UHFFFAOYSA-N 1 0 311.451 1.548 10 0 DDAERO CSC1(C(N)=S)CC[NH+](CC(=O)N[C@H](C)C(C)C)CC1 ZINC000091478537 193062364 /nfs/dbraw/zinc/06/23/64/193062364.db2.gz BSZDNCNYAGXJPQ-LLVKDONJSA-N 1 0 317.524 1.631 10 0 DDAERO C[NH2+]C1CCC(NS(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000091872542 193120786 /nfs/dbraw/zinc/12/07/86/193120786.db2.gz ANLSBHZIAGGSFX-FEPKRQSRSA-N 1 0 303.472 1.329 10 0 DDAERO CNC(=O)c1cccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000091992431 193138273 /nfs/dbraw/zinc/13/82/73/193138273.db2.gz LZPOHHRKCZXFRI-SWLSCSKDSA-N 1 0 316.405 1.747 10 0 DDAERO CCS(=O)(=O)CCCOc1ccc(C)nc1C[C@@H](C)[NH3+] ZINC000092000122 193139446 /nfs/dbraw/zinc/13/94/46/193139446.db2.gz HIUSYNDNZKOVNW-LLVKDONJSA-N 1 0 300.424 1.483 10 0 DDAERO CC[C@H]([NH3+])Cc1nc(C)ccc1OCCCS(=O)(=O)CC ZINC000092000620 193139790 /nfs/dbraw/zinc/13/97/90/193139790.db2.gz AOVLYYWSRCDAHN-ZDUSSCGKSA-N 1 0 314.451 1.873 10 0 DDAERO O[C@@H](C[NH2+]Cc1cnc2cnc(Br)cn12)C1CC1 ZINC000092050035 193148582 /nfs/dbraw/zinc/14/85/82/193148582.db2.gz UFDLGXXNIWLFHV-JTQLQIEISA-N 1 0 311.183 1.352 10 0 DDAERO Cn1cc(O[C@@H]2C[N@H+](Cc3ccc(C4CC4)cc3)C[C@H]2O)cn1 ZINC000625626265 367057965 /nfs/dbraw/zinc/05/79/65/367057965.db2.gz GIVCFLRJEZSIPD-QZTJIDSGSA-N 1 0 313.401 1.922 10 0 DDAERO Cc1[nH]nc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)c1C[NH2+]C(C)C ZINC000092113427 193161251 /nfs/dbraw/zinc/16/12/51/193161251.db2.gz FLDDDABUPLITPQ-PHIMTYICSA-N 1 0 314.455 1.493 10 0 DDAERO CN(Cc1cccnc1)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115686 193163052 /nfs/dbraw/zinc/16/30/52/193163052.db2.gz QPOZNNXLLCHHOQ-UHFFFAOYSA-N 1 0 309.366 1.500 10 0 DDAERO CS(=O)(=O)Nc1cc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)ccc1F ZINC000092203801 193172888 /nfs/dbraw/zinc/17/28/88/193172888.db2.gz QPDCRHYKMLLOEH-DTWKUNHWSA-N 1 0 313.354 1.039 10 0 DDAERO CC(C)(C[NH2+]C[C@H]1Cc2ccccc2S1)NS(C)(=O)=O ZINC000092244372 193178641 /nfs/dbraw/zinc/17/86/41/193178641.db2.gz GSAPEQBSBDDTSH-GFCCVEGCSA-N 1 0 314.476 1.621 10 0 DDAERO Cc1nsc(N)c1-c1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000093016452 193194918 /nfs/dbraw/zinc/19/49/18/193194918.db2.gz TZVQKSQLPCTJBR-RKDXNWHRSA-N 1 0 307.379 1.619 10 0 DDAERO Cc1csc(C2(NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)CCCC2)n1 ZINC000261884808 203143866 /nfs/dbraw/zinc/14/38/66/203143866.db2.gz UXJHYESWDZCBHM-NEPJUHHUSA-N 1 0 309.435 1.843 10 0 DDAERO C[C@H]1CCN(C(=O)c2ccc(-c3ncon3)cc2)[C@@H](C[NH3+])C1 ZINC000261893131 203145717 /nfs/dbraw/zinc/14/57/17/203145717.db2.gz VLWAUPWAKIGQET-SMDDNHRTSA-N 1 0 300.362 1.936 10 0 DDAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)Cc1ccc(F)cc1 ZINC000262360330 203273026 /nfs/dbraw/zinc/27/30/26/203273026.db2.gz IKRVKKWPHDQKCZ-UHFFFAOYSA-N 1 0 317.368 1.602 10 0 DDAERO [NH3+]C[C@@H](c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000093167418 193211090 /nfs/dbraw/zinc/21/10/90/193211090.db2.gz PCVNOFYMFXHCFJ-JQWIXIFHSA-N 1 0 318.236 1.926 10 0 DDAERO NS(=O)(=O)c1ccc(Cl)c(N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000093214168 193217582 /nfs/dbraw/zinc/21/75/82/193217582.db2.gz RKOFXGSIYAHAHG-RKDXNWHRSA-N 1 0 303.815 1.669 10 0 DDAERO [NH3+]Cc1c[nH]nc1-c1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC000093295419 193226147 /nfs/dbraw/zinc/22/61/47/193226147.db2.gz KOBDPEOPACRJLR-UHFFFAOYSA-N 1 0 319.308 1.871 10 0 DDAERO [NH3+]Cc1c[nH]nc1-c1ccc(S(=O)(=O)CC(F)F)cc1 ZINC000093295438 193227027 /nfs/dbraw/zinc/22/70/27/193227027.db2.gz DYPQMOJGGUQLBU-UHFFFAOYSA-N 1 0 301.318 1.574 10 0 DDAERO Cc1ccc(S(N)(=O)=O)cc1N[C@@H](C)C[C@H]1CCCC[NH2+]1 ZINC000093485860 193258868 /nfs/dbraw/zinc/25/88/68/193258868.db2.gz SYXLAEVAANOYHW-QWHCGFSZSA-N 1 0 311.451 1.975 10 0 DDAERO CCN[C@]1(C(=O)OCC)CCC[C@H]1CC[N@H+](C)CCOC ZINC000093592037 193270892 /nfs/dbraw/zinc/27/08/92/193270892.db2.gz MQLCWPFCHXZMNC-GOEBONIOSA-N 1 0 300.443 1.666 10 0 DDAERO CS(=O)(=O)c1cccc(OCC[C@H]2CCC[C@]2(O)C[NH3+])c1 ZINC000093628234 193276646 /nfs/dbraw/zinc/27/66/46/193276646.db2.gz MFTGSVZFDXVNRX-DOMZBBRYSA-N 1 0 313.419 1.349 10 0 DDAERO C[NH2+]Cc1cccc(OC[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000093695934 193291045 /nfs/dbraw/zinc/29/10/45/193291045.db2.gz GAGXGDIYZSLNCV-AWEZNQCLSA-N 1 0 312.435 1.456 10 0 DDAERO CCC[NH2+][C@H](COCCC)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700167 193294211 /nfs/dbraw/zinc/29/42/11/193294211.db2.gz OKRHPYGKQOPQGD-GJZGRUSLSA-N 1 0 320.499 1.843 10 0 DDAERO CC[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCOCC1 ZINC000093700569 193294658 /nfs/dbraw/zinc/29/46/58/193294658.db2.gz UBKOQTWILAWIMU-ZFWWWQNUSA-N 1 0 318.483 1.453 10 0 DDAERO C[NH+](C)C1([C@@H](N)C[C@@H]2CCCN(S(C)(=O)=O)C2)CCCC1 ZINC000093700736 193294819 /nfs/dbraw/zinc/29/48/19/193294819.db2.gz SJMMBFZPCYCQEZ-KBPBESRZSA-N 1 0 317.499 1.250 10 0 DDAERO CC(C)[NH2+][C@]1(C(N)=O)CCC[C@H](Sc2nncs2)C1 ZINC000093778020 193304465 /nfs/dbraw/zinc/30/44/65/193304465.db2.gz XTCBHOOEVFDAIU-JOYOIKCWSA-N 1 0 300.453 1.795 10 0 DDAERO C[NH2+][C@@]1(CO)CCC[C@H](Oc2ccc(S(C)(=O)=O)cc2)C1 ZINC000093785846 193307620 /nfs/dbraw/zinc/30/76/20/193307620.db2.gz VFHWMONELMSTEQ-ZFWWWQNUSA-N 1 0 313.419 1.362 10 0 DDAERO Cc1cc(N)cc(C)c1S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000093648653 193283739 /nfs/dbraw/zinc/28/37/39/193283739.db2.gz YEOWIHTYBYNRPG-ZDUSSCGKSA-N 1 0 311.451 1.506 10 0 DDAERO CC[NH2+][C@H](C)C1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000093664615 193286821 /nfs/dbraw/zinc/28/68/21/193286821.db2.gz TZGNVONWAGQTCC-CYBMUJFWSA-N 1 0 306.472 1.451 10 0 DDAERO CCOc1ccc(NS(=O)(=O)CCOC(C)C)cc1C[NH3+] ZINC000093667658 193287631 /nfs/dbraw/zinc/28/76/31/193287631.db2.gz DXUFYTIKOUTVHN-UHFFFAOYSA-N 1 0 316.423 1.711 10 0 DDAERO CCN(CC1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000094023924 193339531 /nfs/dbraw/zinc/33/95/31/193339531.db2.gz NDTLDRARXUAMSP-UHFFFAOYSA-N 1 0 300.399 1.836 10 0 DDAERO C[NH2+][C@]1(C(N)=O)CC[C@H](Sc2nnc3n2CCCCC3)C1 ZINC000093850561 193317393 /nfs/dbraw/zinc/31/73/93/193317393.db2.gz SWQVSPHXFQDKLK-IINYFYTJSA-N 1 0 309.439 1.093 10 0 DDAERO Cc1cc(C)nc(S[C@H]2CC[C@]([NH2+]C(C)C)(C(N)=O)C2)n1 ZINC000093852362 193318944 /nfs/dbraw/zinc/31/89/44/193318944.db2.gz WGXSJGCQCVJDJG-SWLSCSKDSA-N 1 0 308.451 1.960 10 0 DDAERO CCCN(CC(C)(C)C[NH3+])S(=O)(=O)c1cn(CC)c(C)n1 ZINC000093878242 193322573 /nfs/dbraw/zinc/32/25/73/193322573.db2.gz XARYLAKWSUEIQP-UHFFFAOYSA-N 1 0 316.471 1.597 10 0 DDAERO CC[NH2+][C@H](CCCS(=O)(=O)CC)[C@@H]1CN(C(C)C)CCO1 ZINC000093927786 193329462 /nfs/dbraw/zinc/32/94/62/193329462.db2.gz OAUNAIMJYVAUAV-CABCVRRESA-N 1 0 320.499 1.289 10 0 DDAERO C[NH2+][C@H](Cc1c(Cl)c(C)nn1C)[C@@H]1CN(C(C)C)CCO1 ZINC000093927000 193329767 /nfs/dbraw/zinc/32/97/67/193329767.db2.gz QAGNVLXQAVITRA-OCCSQVGLSA-N 1 0 314.861 1.622 10 0 DDAERO CCN(c1nc(C(F)(F)F)ccc1C(N)=O)[C@@H]1CC[NH2+]C1 ZINC000094337429 193360956 /nfs/dbraw/zinc/36/09/56/193360956.db2.gz ZDLVYSSNYLZZLC-MRVPVSSYSA-N 1 0 302.300 1.388 10 0 DDAERO C[C@@H]1CN(CC(=O)Nc2ccc(F)c(F)c2F)CC[C@@H]1[NH3+] ZINC000094342046 193362448 /nfs/dbraw/zinc/36/24/48/193362448.db2.gz NCYGSEMLLXIOEH-SCZZXKLOSA-N 1 0 301.312 1.712 10 0 DDAERO Clc1cnc(-c2noc(C[C@H]3C[NH2+]CCO3)n2)c(Cl)c1 ZINC000094199318 193348832 /nfs/dbraw/zinc/34/88/32/193348832.db2.gz FUCPOEXGNYGDEP-QMMMGPOBSA-N 1 0 315.160 1.969 10 0 DDAERO CC(C)C[N@H+](CCC(N)=S)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094636613 193386852 /nfs/dbraw/zinc/38/68/52/193386852.db2.gz VRGOVRKPCYJKPV-STQMWFEESA-N 1 0 320.524 1.976 10 0 DDAERO CCn1cc(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+][C@@H]2C)nc1C ZINC000094665878 193390713 /nfs/dbraw/zinc/39/07/13/193390713.db2.gz GLNZWSVPCNTMER-HOSYDEDBSA-N 1 0 300.428 1.019 10 0 DDAERO C[C@@H]1SCCC[C@H]1[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000094478305 193372931 /nfs/dbraw/zinc/37/29/31/193372931.db2.gz DGRFJZVIXMEMOK-SMDDNHRTSA-N 1 0 314.476 1.750 10 0 DDAERO C[C@H]1SCCC[C@@]1(C[NH3+])N1CCN(c2ccccn2)CC1 ZINC000094478714 193373058 /nfs/dbraw/zinc/37/30/58/193373058.db2.gz QAMPGWZGOYHEBX-ZBFHGGJFSA-N 1 0 306.479 1.817 10 0 DDAERO C[NH2+][C@@H](CCC(F)(F)F)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000094492961 193373763 /nfs/dbraw/zinc/37/37/63/193373763.db2.gz HGXDXFREGTYCRH-MNOVXSKESA-N 1 0 316.389 1.979 10 0 DDAERO [NH3+][C@H](Cc1c(Cl)cccc1Cl)[C@H]1CN2CCN1CC2 ZINC000094508203 193375646 /nfs/dbraw/zinc/37/56/46/193375646.db2.gz MNZCYJVBZMLZFO-ZIAGYGMSSA-N 1 0 300.233 1.863 10 0 DDAERO C[C@H]1C[C@@H]([NH3+])CN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000094550300 193378799 /nfs/dbraw/zinc/37/87/99/193378799.db2.gz YMPBYGVDMXATLX-DTWKUNHWSA-N 1 0 312.420 1.049 10 0 DDAERO CN(Cc1ccc(Br)o1)C(=O)[C@H]1CC[C@H](C[NH3+])O1 ZINC000094568859 193381031 /nfs/dbraw/zinc/38/10/31/193381031.db2.gz NEIPBJGUIDDGIX-PSASIEDQSA-N 1 0 317.183 1.507 10 0 DDAERO CS(=O)(=O)CC[NH2+]CCn1ccc2c1cccc2Cl ZINC000094613074 193384493 /nfs/dbraw/zinc/38/44/93/193384493.db2.gz SXNSNCKFGWEKHI-UHFFFAOYSA-N 1 0 300.811 1.929 10 0 DDAERO Cc1cc(CNS(=O)(=O)C2CC[NH2+]CC2)cc(C)c1F ZINC000094895182 193405708 /nfs/dbraw/zinc/40/57/08/193405708.db2.gz HPBRIYLSJSGDFG-UHFFFAOYSA-N 1 0 300.399 1.614 10 0 DDAERO C[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CC(=O)NC(=O)C1(C)C ZINC000097300370 193705873 /nfs/dbraw/zinc/70/58/73/193705873.db2.gz ZPBRFSSKYHDXTG-CPCISQLKSA-N 1 0 315.826 1.527 10 0 DDAERO CC[C@@H]([NH3+])[C@](C)(CC(=O)OC)c1ccc(S(C)(=O)=O)cc1 ZINC000097432115 193720166 /nfs/dbraw/zinc/72/01/66/193720166.db2.gz IYPIDZJVZNFNGR-UKRRQHHQSA-N 1 0 313.419 1.648 10 0 DDAERO CN(C)CC[NH2+]Cc1c(OCC(N)=O)ccc2ccccc21 ZINC000020872849 182250790 /nfs/dbraw/zinc/25/07/90/182250790.db2.gz OVNVVJGIXVIIBE-UHFFFAOYSA-N 1 0 301.390 1.355 10 0 DDAERO [NH3+]C[C@@H](c1ccc(F)c(Br)c1)N1CCOCC1 ZINC000022176470 182312224 /nfs/dbraw/zinc/31/22/24/182312224.db2.gz NYVYTLFJKFKAKN-LBPRGKRZSA-N 1 0 303.175 1.920 10 0 DDAERO CCCS(=O)(=O)N1C[C@@H](C)N(CCC[NH+](C)C)[C@@H](C)C1 ZINC000036125205 182803880 /nfs/dbraw/zinc/80/38/80/182803880.db2.gz ZVJQELQZZGHVRN-OKILXGFUSA-N 1 0 305.488 1.073 10 0 DDAERO O=C(Nc1ccc(Br)cc1Cl)[C@H]1C[C@H](O)C[NH2+]1 ZINC000037392429 182886298 /nfs/dbraw/zinc/88/62/98/182886298.db2.gz RKFOPSPIGLMNPJ-OIBJUYFYSA-N 1 0 319.586 1.764 10 0 DDAERO CC(C)(CO)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000037853711 182932256 /nfs/dbraw/zinc/93/22/56/182932256.db2.gz FSFHGVKEVLMZKA-LLVKDONJSA-N 1 0 318.211 1.549 10 0 DDAERO CCc1ccc(N)cc1S(=O)(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000040501868 183083857 /nfs/dbraw/zinc/08/38/57/183083857.db2.gz TXCFBJUUZVSAAL-CQSZACIVSA-N 1 0 311.451 1.594 10 0 DDAERO Cc1nc(C)c([C@H](C)[NH2+]Cc2cn(C)c(=O)n(C)c2=O)s1 ZINC000040517987 183090028 /nfs/dbraw/zinc/09/00/28/183090028.db2.gz OAMQJMFLYIZSOS-QMMMGPOBSA-N 1 0 308.407 1.008 10 0 DDAERO CSc1nnc(CNC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])s1 ZINC000333779261 249103546 /nfs/dbraw/zinc/10/35/46/249103546.db2.gz KPVKJZUKKURFFA-IUCAKERBSA-N 1 0 315.468 1.529 10 0 DDAERO Cc1n[nH]c(C)c1S(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000040830717 183139396 /nfs/dbraw/zinc/13/93/96/183139396.db2.gz MDIQMSNUHNDBGX-GFCCVEGCSA-N 1 0 302.444 1.281 10 0 DDAERO C[NH+](C)C[C@@H](O)CNCc1cc(Br)ccc1F ZINC000041069399 183162338 /nfs/dbraw/zinc/16/23/38/183162338.db2.gz WFQLMHJKKCOQGA-NSHDSACASA-N 1 0 305.191 1.600 10 0 DDAERO C[C@H](CNS(=O)(=O)c1cc(N)cs1)C[NH+]1CCCCC1 ZINC000041068508 183162422 /nfs/dbraw/zinc/16/24/22/183162422.db2.gz UVZRKOCLIUBDLJ-LLVKDONJSA-N 1 0 317.480 1.731 10 0 DDAERO COc1ccccc1C1(CNC(=O)CC[NH+](C)C)CCOCC1 ZINC000041536350 183199981 /nfs/dbraw/zinc/19/99/81/183199981.db2.gz GEZOJERTPIIUDG-UHFFFAOYSA-N 1 0 320.433 1.811 10 0 DDAERO C[C@@H]([NH3+])c1ccc(NC(=O)NC2CCS(=O)(=O)CC2)cc1 ZINC000041716673 183218250 /nfs/dbraw/zinc/21/82/50/183218250.db2.gz RYMUPPUJLFZQCV-SNVBAGLBSA-N 1 0 311.407 1.405 10 0 DDAERO CC[NH2+][C@H](C)c1cccc(NC(=O)NCCS(C)(=O)=O)c1 ZINC000041707463 183218593 /nfs/dbraw/zinc/21/85/93/183218593.db2.gz HJTHABLDUMZEOU-LLVKDONJSA-N 1 0 313.423 1.523 10 0 DDAERO C[C@@H](O)c1ccc(S(=O)(=O)NCCCC[NH+](C)C)cc1 ZINC000041684796 183216638 /nfs/dbraw/zinc/21/66/38/183216638.db2.gz ASKKJHWVWTVTCU-GFCCVEGCSA-N 1 0 300.424 1.360 10 0 DDAERO C[C@@H](Oc1c(Br)cccc1C[NH3+])C(=O)NC1CC1 ZINC000042411333 183265139 /nfs/dbraw/zinc/26/51/39/183265139.db2.gz BTXLBGHWRKVMEF-MRVPVSSYSA-N 1 0 313.195 1.954 10 0 DDAERO O=C1C(=O)N(CC[NH2+]C2CC2)c2cccc(Br)c21 ZINC000042410199 183265355 /nfs/dbraw/zinc/26/53/55/183265355.db2.gz MTAYVLYPCQLKSS-UHFFFAOYSA-N 1 0 309.163 1.730 10 0 DDAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N(CCO)C(C)C)cc1 ZINC000042481168 183275047 /nfs/dbraw/zinc/27/50/47/183275047.db2.gz YMVORRJTOVBNMN-UHFFFAOYSA-N 1 0 314.451 1.578 10 0 DDAERO CN1CC[C@@H]([NH2+]CC(=O)Nc2ccccc2Br)C1 ZINC000042547566 183282819 /nfs/dbraw/zinc/28/28/19/183282819.db2.gz MLVLNKUDOVXLAW-SNVBAGLBSA-N 1 0 312.211 1.681 10 0 DDAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)CCC(=O)OC)cc1 ZINC000042552006 183284065 /nfs/dbraw/zinc/28/40/65/183284065.db2.gz KTHZGEWBSVRTGG-LLVKDONJSA-N 1 0 314.407 1.151 10 0 DDAERO C[C@@H]([NH3+])[C@H](c1cc(Br)cs1)N(CCO)CCO ZINC000043286315 183350325 /nfs/dbraw/zinc/35/03/25/183350325.db2.gz YVMLIFHJBPLLDU-LDYMZIIASA-N 1 0 323.256 1.186 10 0 DDAERO CC[NH2+][C@H](c1cc(OC)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300886 183352501 /nfs/dbraw/zinc/35/25/01/183352501.db2.gz FARBZLPZMBEHKK-ABAIWWIYSA-N 1 0 313.419 1.789 10 0 DDAERO Cc1ccc(C(N)=[NH2+])c(Oc2ccc(S(C)(=O)=O)cc2)n1 ZINC000043401623 183358742 /nfs/dbraw/zinc/35/87/42/183358742.db2.gz ZCCAHFNOGJYUNS-UHFFFAOYSA-N 1 0 305.359 1.870 10 0 DDAERO O=S1(=O)CC[C@H](Oc2ccccc2N2CCC[NH2+]CC2)C1 ZINC000043461539 183364812 /nfs/dbraw/zinc/36/48/12/183364812.db2.gz DUAAPQUMAXMCHJ-ZDUSSCGKSA-N 1 0 310.419 1.052 10 0 DDAERO C[NH2+]Cc1ccc(O[C@@H](C)C(=O)NCCCOC)c(Cl)c1 ZINC000043478140 183366051 /nfs/dbraw/zinc/36/60/51/183366051.db2.gz LSXOTZQOBRYIFW-NSHDSACASA-N 1 0 314.813 1.979 10 0 DDAERO CCc1ccc(C(=O)NC2(C(N)=S)CC[NH+](C)CC2)s1 ZINC000043640042 183376680 /nfs/dbraw/zinc/37/66/80/183376680.db2.gz DMQAZJLDOGQWII-UHFFFAOYSA-N 1 0 311.476 1.791 10 0 DDAERO O=C(Nc1ccc(F)cc1Br)[C@H]1C[NH2+]CCO1 ZINC000043712965 183382485 /nfs/dbraw/zinc/38/24/85/183382485.db2.gz NUCSCCJLODJRSC-SNVBAGLBSA-N 1 0 303.131 1.515 10 0 DDAERO CCNS(=O)(=O)c1ccccc1N(CCC[NH3+])CC(C)C ZINC000043417248 183360746 /nfs/dbraw/zinc/36/07/46/183360746.db2.gz VACISEGZTCJDRZ-UHFFFAOYSA-N 1 0 313.467 1.796 10 0 DDAERO [NH3+]CCc1ccc(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)s1 ZINC000043428259 183361783 /nfs/dbraw/zinc/36/17/83/183361783.db2.gz YRQVPGNRZDCWOY-NWDGAFQWSA-N 1 0 316.448 1.191 10 0 DDAERO Cc1nnc(NC[C@H]2CC[N@@H+](C(C)C)C2)c(C(N)=S)c1C ZINC000045137208 183484225 /nfs/dbraw/zinc/48/42/25/183484225.db2.gz QOXQCEQASIXCJP-GFCCVEGCSA-N 1 0 307.467 1.870 10 0 DDAERO O=C1c2ccccc2C(=O)N1CCC[N@H+]1CCC[C@@H]1CCCO ZINC000104957282 194056284 /nfs/dbraw/zinc/05/62/84/194056284.db2.gz CHEGVKRXZJNMLG-CQSZACIVSA-N 1 0 316.401 1.910 10 0 DDAERO C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000105325352 194096870 /nfs/dbraw/zinc/09/68/70/194096870.db2.gz ZNYAGUOHOYQEQI-UKRRQHHQSA-N 1 0 318.421 1.749 10 0 DDAERO CCNC(=O)CC[NH+]1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000105818783 194135614 /nfs/dbraw/zinc/13/56/14/194135614.db2.gz FOIGJLLGJXIMFP-UHFFFAOYSA-N 1 0 316.405 1.784 10 0 DDAERO CCOCCN1CC[N@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1C ZINC000105835248 194141465 /nfs/dbraw/zinc/14/14/65/194141465.db2.gz GQGLAWLVNSNYML-FUHWJXTLSA-N 1 0 306.450 1.633 10 0 DDAERO CC[C@H]1CN(Cc2nc(-c3ccoc3)no2)CC[N@@H+]1CCOC ZINC000105837428 194143893 /nfs/dbraw/zinc/14/38/93/194143893.db2.gz ZUOMOKVEKXLPEI-AWEZNQCLSA-N 1 0 320.393 1.872 10 0 DDAERO CCOCC[N@@H+]1CCN([C@H](C(N)=O)c2ccccc2)C[C@H]1CC ZINC000105838064 194144809 /nfs/dbraw/zinc/14/48/09/194144809.db2.gz ZEPVFJOCBYSCHS-SJORKVTESA-N 1 0 319.449 1.646 10 0 DDAERO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869510 194151781 /nfs/dbraw/zinc/15/17/81/194151781.db2.gz VMIIOLSEPYMWIT-CQSZACIVSA-N 1 0 321.469 1.231 10 0 DDAERO CCN(C(=O)[C@H](C)[NH2+][C@@H]1CCc2ncnn2C1)c1ccccc1 ZINC000105871153 194151830 /nfs/dbraw/zinc/15/18/30/194151830.db2.gz VHNVSJQZNYPMRR-UONOGXRCSA-N 1 0 313.405 1.624 10 0 DDAERO CSc1cccc(NC(=O)[C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)c1 ZINC000105932829 194173462 /nfs/dbraw/zinc/17/34/62/194173462.db2.gz AMZDYPKNWWEVQW-TZMCWYRMSA-N 1 0 323.462 1.656 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2cc(C(=O)OC)co2)C[C@H]1CC ZINC000106116739 194187765 /nfs/dbraw/zinc/18/77/65/194187765.db2.gz UKFAOSNIGZTPHW-OAHLLOKOSA-N 1 0 324.421 1.999 10 0 DDAERO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)CCOC)cc1 ZINC000048924769 183697095 /nfs/dbraw/zinc/69/70/95/183697095.db2.gz RPOJCRAYRLTCRQ-LBPRGKRZSA-N 1 0 300.424 1.624 10 0 DDAERO NC(=S)c1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](O)C1 ZINC000048954189 183699158 /nfs/dbraw/zinc/69/91/58/183699158.db2.gz IEZWSSICVYMBHX-LLVKDONJSA-N 1 0 307.419 1.106 10 0 DDAERO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccc(F)c(N)c1 ZINC000049554499 183740981 /nfs/dbraw/zinc/74/09/81/183740981.db2.gz ROEWAKIFWZVOFJ-NSHDSACASA-N 1 0 317.430 1.663 10 0 DDAERO O=S(=O)(C[C@H]1CCCC[NH2+]1)NCc1ccc(Cl)cc1 ZINC000049630479 183749041 /nfs/dbraw/zinc/74/90/41/183749041.db2.gz OMDFORGQERFKNR-CYBMUJFWSA-N 1 0 302.827 1.902 10 0 DDAERO O=S(=O)(C[C@H]1CCC[NH2+]1)NCc1cccc(C(F)(F)F)c1 ZINC000049640814 183750714 /nfs/dbraw/zinc/75/07/14/183750714.db2.gz RSWMDBUYAFKURF-GFCCVEGCSA-N 1 0 322.352 1.877 10 0 DDAERO CS(=O)(=O)c1ccc2[nH]c(CC[C@H]3CCC[NH2+]C3)nc2c1 ZINC000050227416 183778808 /nfs/dbraw/zinc/77/88/08/183778808.db2.gz FVCPPSYXWYQUAB-LLVKDONJSA-N 1 0 307.419 1.899 10 0 DDAERO NC(=S)C[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000109442322 194263795 /nfs/dbraw/zinc/26/37/95/194263795.db2.gz AFCGBCWMYIJHNG-UHFFFAOYSA-N 1 0 301.818 1.883 10 0 DDAERO C[C@@H](C[NH3+])N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000109453870 194264606 /nfs/dbraw/zinc/26/46/06/194264606.db2.gz KNNHPNVYPLVATB-ZETCQYMHSA-N 1 0 309.282 1.851 10 0 DDAERO CC[C@@H](C(N)=S)[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000109461267 194266191 /nfs/dbraw/zinc/26/61/91/194266191.db2.gz BSPNOVNSXPIQRF-AWEZNQCLSA-N 1 0 305.447 1.438 10 0 DDAERO CC(C)(C(N)=S)[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000109471802 194267321 /nfs/dbraw/zinc/26/73/21/194267321.db2.gz YBUWMVXOOZXXPA-UHFFFAOYSA-N 1 0 321.475 1.878 10 0 DDAERO Cn1c(CN2CC[NH2+]CC2)nc2cc(Br)ccc21 ZINC000051639981 183833062 /nfs/dbraw/zinc/83/30/62/183833062.db2.gz UBRWGOULZYCCEL-UHFFFAOYSA-N 1 0 309.211 1.741 10 0 DDAERO CC(C)[NH2+]CCCS(=O)(=O)N[C@H]1CCOc2ccccc21 ZINC000051988091 183843817 /nfs/dbraw/zinc/84/38/17/183843817.db2.gz ZDOAZRRUYUSDQS-AWEZNQCLSA-N 1 0 312.435 1.818 10 0 DDAERO C[NH2+][C@H]1CCCN(C(=O)c2cc(Br)cn2C)C1 ZINC000053202080 183892021 /nfs/dbraw/zinc/89/20/21/183892021.db2.gz IKMGAXNMEPYRDY-JTQLQIEISA-N 1 0 300.200 1.612 10 0 DDAERO CC[N@@H+]1CCN(CC(=O)Nc2ccc(N)cc2Cl)C[C@@H]1C ZINC000110702223 194352534 /nfs/dbraw/zinc/35/25/34/194352534.db2.gz HKVLVEOFWPCACT-NSHDSACASA-N 1 0 310.829 1.887 10 0 DDAERO CC[C@@H](C)N1CCN(S(=O)(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000055082701 183962735 /nfs/dbraw/zinc/96/27/35/183962735.db2.gz FUGBYZVRDAEQQP-HUUCEWRRSA-N 1 0 317.499 1.265 10 0 DDAERO [NH3+]C1CCC(Oc2ccccc2S(=O)(=O)NC2CC2)CC1 ZINC000055143509 183966500 /nfs/dbraw/zinc/96/65/00/183966500.db2.gz JMUQAIBFRAWCCK-UHFFFAOYSA-N 1 0 310.419 1.776 10 0 DDAERO CCN(CCC(=O)OC)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000112875363 284869293 /nfs/dbraw/zinc/86/92/93/284869293.db2.gz HQPSMQLCQUCTKG-HNNXBMFYSA-N 1 0 306.406 1.571 10 0 DDAERO CN(C)c1ccc(NC(=O)CN2CCC[NH2+]CC2)cc1Cl ZINC000061271613 184167261 /nfs/dbraw/zinc/16/72/61/184167261.db2.gz RFOCSYVSCCYDKL-UHFFFAOYSA-N 1 0 310.829 1.640 10 0 DDAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000061318689 184168364 /nfs/dbraw/zinc/16/83/64/184168364.db2.gz NUYUKPAXOYDEBS-UHFFFAOYSA-N 1 0 311.407 1.064 10 0 DDAERO CCn1c(S[C@@H](c2cccc(OC)c2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594262 184176219 /nfs/dbraw/zinc/17/62/19/184176219.db2.gz IJQAVJZEEPNRAU-BXKDBHETSA-N 1 0 308.407 1.781 10 0 DDAERO Cc1cc(N)c(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)cc1C ZINC000061642477 184180591 /nfs/dbraw/zinc/18/05/91/184180591.db2.gz GHZZJGWYUUJZBB-ZDUSSCGKSA-N 1 0 311.451 1.600 10 0 DDAERO O=C(Nc1cc(Br)ccc1Cl)[C@H]1C[C@H](O)C[NH2+]1 ZINC000061692505 184183596 /nfs/dbraw/zinc/18/35/96/184183596.db2.gz FBGVXOMINRUGAY-OIBJUYFYSA-N 1 0 319.586 1.764 10 0 DDAERO [NH3+]CC1(C(=O)N2CCN(CC(F)(F)F)CC2)CCCCC1 ZINC000061941541 184197484 /nfs/dbraw/zinc/19/74/84/184197484.db2.gz LTLIOTVENYVEPZ-UHFFFAOYSA-N 1 0 307.360 1.602 10 0 DDAERO C[N@H+](CCNS(=O)(=O)c1c(N)cccc1Cl)C1CC1 ZINC000061992634 184200269 /nfs/dbraw/zinc/20/02/69/184200269.db2.gz ADWDGXRMFXDTOP-UHFFFAOYSA-N 1 0 303.815 1.295 10 0 DDAERO C[C@@H](c1ccccc1F)N(C)C1(C[NH3+])CCS(=O)(=O)CC1 ZINC000062013549 184201127 /nfs/dbraw/zinc/20/11/27/184201127.db2.gz NIZMMHUEFFGZQH-LBPRGKRZSA-N 1 0 314.426 1.725 10 0 DDAERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)CCCOC)cc1 ZINC000062037786 184202698 /nfs/dbraw/zinc/20/26/98/184202698.db2.gz DTJZBHHNQARTCR-LBPRGKRZSA-N 1 0 300.424 1.624 10 0 DDAERO Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000062037590 184202755 /nfs/dbraw/zinc/20/27/55/184202755.db2.gz IXKCTENPSKUNBI-NWDGAFQWSA-N 1 0 300.399 1.801 10 0 DDAERO C[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000062037909 184203048 /nfs/dbraw/zinc/20/30/48/184203048.db2.gz AMYNCKOWXYIUDB-GXTWGEPZSA-N 1 0 314.426 1.676 10 0 DDAERO Cc1ccc(CNS(=O)(=O)Cc2cccc(C[NH3+])c2)cn1 ZINC000062054360 184203295 /nfs/dbraw/zinc/20/32/95/184203295.db2.gz PPWHIBYKKHYZLD-UHFFFAOYSA-N 1 0 305.403 1.468 10 0 DDAERO C[NH+](C)CCC(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000062187200 184217148 /nfs/dbraw/zinc/21/71/48/184217148.db2.gz LHKJNDFQISJKAT-UHFFFAOYSA-N 1 0 323.824 1.576 10 0 DDAERO CC[NH2+]C[C@H](Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000062337376 184231130 /nfs/dbraw/zinc/23/11/30/184231130.db2.gz AGPZEYSBUPJOLE-NEPJUHHUSA-N 1 0 302.465 1.654 10 0 DDAERO [NH3+]C[C@@H](Cc1cc(F)c(F)c(F)c1)C(=O)N1CCOCC1 ZINC000062706180 184248723 /nfs/dbraw/zinc/24/87/23/184248723.db2.gz KFYFJRLOAFAFHQ-SNVBAGLBSA-N 1 0 302.296 1.080 10 0 DDAERO CN(c1cc(Cl)ccc1C(N)=[NH2+])[C@@H]1CCS(=O)(=O)C1 ZINC000062788836 184253222 /nfs/dbraw/zinc/25/32/22/184253222.db2.gz KGPUHBIMVRHPNK-SECBINFHSA-N 1 0 301.799 1.247 10 0 DDAERO Cc1cccc(N)c1S(=O)(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062940639 184260975 /nfs/dbraw/zinc/26/09/75/184260975.db2.gz AZQNETDIJHPJAN-CYBMUJFWSA-N 1 0 309.435 1.436 10 0 DDAERO Nc1csc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000062975764 184264311 /nfs/dbraw/zinc/26/43/11/184264311.db2.gz MYENENMCLJOSPS-LLVKDONJSA-N 1 0 301.437 1.189 10 0 DDAERO O=S(=O)(C[C@H]1CCC[NH2+]1)Nc1ccc(N2CCCC2)cc1 ZINC000062996931 184264693 /nfs/dbraw/zinc/26/46/93/184264693.db2.gz PYELVIHSTGHLTE-CQSZACIVSA-N 1 0 309.435 1.781 10 0 DDAERO C[NH2+]Cc1cc(OC)c(OCCCS(C)(=O)=O)c(OC)c1 ZINC000063014413 184266589 /nfs/dbraw/zinc/26/65/89/184266589.db2.gz YCHWOOCYXPNKSG-UHFFFAOYSA-N 1 0 317.407 1.237 10 0 DDAERO COCC[NH2+]C[C@H](CCCS(C)(=O)=O)Cc1ccccc1 ZINC000063018474 184267573 /nfs/dbraw/zinc/26/75/73/184267573.db2.gz SONUHNIRXDWACF-MRXNPFEDSA-N 1 0 313.463 1.906 10 0 DDAERO CCCN(c1ccc(C[NH3+])cc1)S(=O)(=O)C[C@@H]1CCCO1 ZINC000063154894 184274329 /nfs/dbraw/zinc/27/43/29/184274329.db2.gz ZQFXUNDQSDHGSI-HNNXBMFYSA-N 1 0 312.435 1.871 10 0 DDAERO CC[C@@H](C)NC(=O)c1cccc(NC(=O)C[NH2+]CCCOC)c1 ZINC000066068353 184386218 /nfs/dbraw/zinc/38/62/18/184386218.db2.gz FUOANHDOQZMKBV-CYBMUJFWSA-N 1 0 321.421 1.780 10 0 DDAERO CC(C)c1nn(C)c(N2CCOCC2)c1C[NH2+]CC[C@H](C)O ZINC000114771632 194689761 /nfs/dbraw/zinc/68/97/61/194689761.db2.gz BKACBKCAZLDEBL-ZDUSSCGKSA-N 1 0 310.442 1.241 10 0 DDAERO C[C@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1cccc(O)c1 ZINC000117049814 194793317 /nfs/dbraw/zinc/79/33/17/194793317.db2.gz FJHRISAZZRADLJ-WFASDCNBSA-N 1 0 307.394 1.425 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000245418992 285274714 /nfs/dbraw/zinc/27/47/14/285274714.db2.gz LLOKIYNAVDBVJC-KGLIPLIRSA-N 1 0 303.472 1.379 10 0 DDAERO CC[C@H]1CN(Cc2cnc3c(C)cccn23)CC[N@@H+]1C[C@@H](C)O ZINC000120734162 195226301 /nfs/dbraw/zinc/22/63/01/195226301.db2.gz VJDRNJUXYFCMQR-CVEARBPZSA-N 1 0 316.449 1.920 10 0 DDAERO CC[NH+](CC)C[C@@H]1CN(CC(=O)N2CCCC2)Cc2cncn21 ZINC000248258939 257106793 /nfs/dbraw/zinc/10/67/93/257106793.db2.gz PRPWZMXRDVYRNY-MRXNPFEDSA-N 1 0 319.453 1.204 10 0 DDAERO O=C1[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2CN1c1cncnc1 ZINC000247857282 257116174 /nfs/dbraw/zinc/11/61/74/257116174.db2.gz KJHLILYXGGMZPL-BXUZGUMPSA-N 1 0 300.387 1.633 10 0 DDAERO O=C(NCc1ccco1)[C@@H]1C[C@@H]2OCC[C@@H]2[N@H+](CC2CC2)C1 ZINC000247523824 257118845 /nfs/dbraw/zinc/11/88/45/257118845.db2.gz YODLNVLXZPJTES-KBMXLJTQSA-N 1 0 304.390 1.785 10 0 DDAERO O=C(NCc1ccco1)[C@@H]1C[C@H]2CC[N@H+](CC3CC3)C[C@H]2O1 ZINC000247498078 257119609 /nfs/dbraw/zinc/11/96/09/257119609.db2.gz OYPNWLWCRRYKHU-VNQPRFMTSA-N 1 0 304.390 1.785 10 0 DDAERO COC[C@H]1C[N@H+](C)C[C@]12CCN(C(=O)COc1ccccc1)C2 ZINC000253613008 257104570 /nfs/dbraw/zinc/10/45/70/257104570.db2.gz NWRFJAFOYDJREE-QAPCUYQASA-N 1 0 318.417 1.492 10 0 DDAERO c1cncc(O[C@@H]2CN(CC[NH+]3CCCC3)[C@H]3CCCO[C@@H]23)c1 ZINC000253596347 257105794 /nfs/dbraw/zinc/10/57/94/257105794.db2.gz QISGLXQTCYYGTF-RCCFBDPRSA-N 1 0 317.433 1.788 10 0 DDAERO CC[NH+](CC)[C@@H]1CN(c2ncc(F)cn2)C[C@@H]2CCCO[C@@H]12 ZINC000503718340 257208586 /nfs/dbraw/zinc/20/85/86/257208586.db2.gz RGRCHZXORQNLSA-NWANDNLSSA-N 1 0 308.401 1.941 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)NC(=O)c1ccoc1 ZINC000120961294 195271749 /nfs/dbraw/zinc/27/17/49/195271749.db2.gz YXGJNEKNUQTFKP-GXTWGEPZSA-N 1 0 309.410 1.490 10 0 DDAERO COc1cc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)cc(OC)c1 ZINC000121007483 195279617 /nfs/dbraw/zinc/27/96/17/195279617.db2.gz UBIBBFOPJKFZDG-HNNXBMFYSA-N 1 0 306.406 1.610 10 0 DDAERO C[C@@H](NC(=O)NCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCO1 ZINC000121996137 195388398 /nfs/dbraw/zinc/38/83/98/195388398.db2.gz ILIOTGKBTFLAPZ-PBHICJAKSA-N 1 0 317.433 1.911 10 0 DDAERO CS[C@@H](C)C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114414683 407570221 /nfs/dbraw/zinc/57/02/21/407570221.db2.gz MTDKSZABBCWEFU-ZDUSSCGKSA-N 1 0 322.478 1.543 10 0 DDAERO COc1ccc(/C=C2/SC(=O)N(CC[NH3+])C2=O)cc1OC ZINC000002820736 406701723 /nfs/dbraw/zinc/70/17/23/406701723.db2.gz IJZVQFNZHYXYEJ-XYOKQWHBSA-N 1 0 308.359 1.699 10 0 DDAERO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)o1 ZINC000074218406 406906252 /nfs/dbraw/zinc/90/62/52/406906252.db2.gz PBZDWGVUUBJFNV-CHWSQXEVSA-N 1 0 307.394 1.175 10 0 DDAERO CN(C)C(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000078265053 407022935 /nfs/dbraw/zinc/02/29/35/407022935.db2.gz YMUKUKDFJRCFGY-HOTGVXAUSA-N 1 0 306.406 1.117 10 0 DDAERO Nc1c(Br)cc(Br)cc1[C@H](N)C[NH3+] ZINC000044470287 407024078 /nfs/dbraw/zinc/02/40/78/407024078.db2.gz JOEDYEITGMMYOI-SSDOTTSWSA-N 1 0 309.005 1.752 10 0 DDAERO CC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000079689529 407060644 /nfs/dbraw/zinc/06/06/44/407060644.db2.gz QSRBMUUXIHXNOW-GDBMZVCRSA-N 1 0 324.469 1.419 10 0 DDAERO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000083710869 407081746 /nfs/dbraw/zinc/08/17/46/407081746.db2.gz VHNGGKYLTZBMAN-KGLIPLIRSA-N 1 0 322.457 1.697 10 0 DDAERO Cc1nn(C)c(C[NH2+]C[C@@H]2CCC[C@@H]2O)c1Br ZINC000089233546 407126894 /nfs/dbraw/zinc/12/68/94/407126894.db2.gz ZKZITUNQOKGDGM-ONGXEEELSA-N 1 0 302.216 1.742 10 0 DDAERO C[C@@H]1CN(C(=O)c2cc(Br)c[nH]2)C[C@@H]1[NH+](C)C ZINC000089710094 407144996 /nfs/dbraw/zinc/14/49/96/407144996.db2.gz SYAVJLZRIXXFBW-KCJUWKMLSA-N 1 0 300.200 1.799 10 0 DDAERO CCOCCN1CCN([C@H](C(N)=O)c2ccccc2)C[C@@H]1C ZINC000105835143 407355305 /nfs/dbraw/zinc/35/53/05/407355305.db2.gz CABMJCQVYHPMTD-HOCLYGCPSA-N 1 0 305.422 1.256 10 0 DDAERO CCOCCCC(=O)N1CCCN(Cc2cnn(CC)c2)CC1 ZINC000105830492 407355743 /nfs/dbraw/zinc/35/57/43/407355743.db2.gz MTDJPWULMZXBSO-UHFFFAOYSA-N 1 0 322.453 1.754 10 0 DDAERO C[C@@H](OC1CCCCCC1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000124955769 407374756 /nfs/dbraw/zinc/37/47/56/407374756.db2.gz ZPGLUEAJXQNHPO-GDBMZVCRSA-N 1 0 312.454 1.903 10 0 DDAERO COC[C@@]1(C[NH2+]Cc2cn(C)c3ccccc23)C[C@@H](O)[C@@H](O)C1 ZINC000107283890 407371658 /nfs/dbraw/zinc/37/16/58/407371658.db2.gz UMFBVEPBBCXPIR-PIIMJCKOSA-N 1 0 318.417 1.416 10 0 DDAERO CCn1cc(C(=O)C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cn1 ZINC000125386428 407387397 /nfs/dbraw/zinc/38/73/97/407387397.db2.gz DKGMIRDJDLOLSC-OAHLLOKOSA-N 1 0 314.389 1.505 10 0 DDAERO COC(=O)c1sc(N2CCO[C@H](C[NH+](C)C)C2)nc1Cl ZINC000108951918 407393303 /nfs/dbraw/zinc/39/33/03/407393303.db2.gz CWYGXUDYAXLPRL-MRVPVSSYSA-N 1 0 319.814 1.350 10 0 DDAERO CS[C@@H](C)C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000109292279 407396615 /nfs/dbraw/zinc/39/66/15/407396615.db2.gz CKDKALIQVXNJNG-ZDUSSCGKSA-N 1 0 310.467 1.557 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc(F)cc2Cl)CCO1 ZINC000126357102 407411497 /nfs/dbraw/zinc/41/14/97/407411497.db2.gz VZSMDTLTRXQJQH-CYBMUJFWSA-N 1 0 314.788 1.811 10 0 DDAERO C[NH+]1CCC(NC(=O)N2CCO[C@H](c3nccs3)C2)CC1 ZINC000111797333 407416248 /nfs/dbraw/zinc/41/62/48/407416248.db2.gz SWQSDJWYLANPEF-LBPRGKRZSA-N 1 0 310.423 1.320 10 0 DDAERO CCc1onc(C)c1NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000126671818 407419183 /nfs/dbraw/zinc/41/91/83/407419183.db2.gz CSFDTKZQVONQLP-GFCCVEGCSA-N 1 0 324.425 1.576 10 0 DDAERO CCn1cc(C[NH2+]C[C@H]2CCCN2c2cc(NC)ncn2)cn1 ZINC000112098959 407421181 /nfs/dbraw/zinc/42/11/81/407421181.db2.gz UGUUQANAVFFJND-CQSZACIVSA-N 1 0 315.425 1.493 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCCO[C@@H]1CCOC1 ZINC000126965416 407424922 /nfs/dbraw/zinc/42/49/22/407424922.db2.gz KRJNLSGXCKQJKB-LSDHHAIUSA-N 1 0 313.442 1.308 10 0 DDAERO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1nnc2n1CCCC2 ZINC000151623910 407464638 /nfs/dbraw/zinc/46/46/38/407464638.db2.gz GYTHANNYNLSZLV-NEPJUHHUSA-N 1 0 306.414 1.069 10 0 DDAERO CCCn1nccc1NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000151698525 407480726 /nfs/dbraw/zinc/48/07/26/407480726.db2.gz MUWDXMZCAJQOLK-CYBMUJFWSA-N 1 0 323.441 1.324 10 0 DDAERO COc1ccccc1NC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113267710 407486146 /nfs/dbraw/zinc/48/61/46/407486146.db2.gz KOMIEOBHCWEGFY-ZIAGYGMSSA-N 1 0 303.406 1.802 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H](O)COCc1ccccc1 ZINC000113310474 407493132 /nfs/dbraw/zinc/49/31/32/407493132.db2.gz CZCUXJPDLUZHMU-NXHRZFHOSA-N 1 0 304.434 1.733 10 0 DDAERO CCOC(=O)N1CCC(N(CC[NH3+])C(=O)OC(C)(C)C)CC1 ZINC000253561568 407458528 /nfs/dbraw/zinc/45/85/28/407458528.db2.gz CFLJEZPYYSGLEI-UHFFFAOYSA-N 1 0 315.414 1.803 10 0 DDAERO CC(=O)Nc1cc(NC(=O)[C@H]([NH3+])C2CCOCC2)ccc1C ZINC000261607602 407551266 /nfs/dbraw/zinc/55/12/66/407551266.db2.gz AVSKOUMTFTWZJF-OAHLLOKOSA-N 1 0 305.378 1.646 10 0 DDAERO CCNC(=O)c1ccc(C)c(NC(=O)[C@@H]([NH3+])C2CCOCC2)c1 ZINC000261627185 407557209 /nfs/dbraw/zinc/55/72/09/407557209.db2.gz CRMVZVPPDJZUQX-HNNXBMFYSA-N 1 0 319.405 1.437 10 0 DDAERO CC[C@@H]1CN(C(=O)/C=C/c2cncc(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000152178714 407575633 /nfs/dbraw/zinc/57/56/33/407575633.db2.gz SVLHENJWRDITHF-AMFYOEQGSA-N 1 0 317.433 1.707 10 0 DDAERO CCCCCc1nnc(NC(=O)[C@H]([NH3+])C2CCOCC2)s1 ZINC000261675872 407575943 /nfs/dbraw/zinc/57/59/43/407575943.db2.gz GOTLJVLIESWLND-GFCCVEGCSA-N 1 0 312.439 1.963 10 0 DDAERO C[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)N(C)c1ccccc1 ZINC000170829629 407522485 /nfs/dbraw/zinc/52/24/85/407522485.db2.gz XKTZNNMNRIKCQJ-ZBFHGGJFSA-N 1 0 304.438 1.857 10 0 DDAERO CCC[C@H](C(=O)NCc1ccc(Cn2cncn2)cc1)[NH+](C)C ZINC000178643557 407525843 /nfs/dbraw/zinc/52/58/43/407525843.db2.gz PPTIEMMSOOBLKN-MRXNPFEDSA-N 1 0 315.421 1.673 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)C(=O)c2cnn(-c3ccccc3)c2)C1 ZINC000113879753 407526813 /nfs/dbraw/zinc/52/68/13/407526813.db2.gz YRNKOEXORCEMEP-HNNXBMFYSA-N 1 0 312.373 1.218 10 0 DDAERO COC[C@H]([NH3+])C(=O)NCc1ccc(OCc2ccccc2)cc1 ZINC000261547333 407542014 /nfs/dbraw/zinc/54/20/14/407542014.db2.gz MCZNFFGUWIUYRC-KRWDZBQOSA-N 1 0 314.385 1.856 10 0 DDAERO COc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCOCC2)cc1OC ZINC000128524616 407544223 /nfs/dbraw/zinc/54/42/23/407544223.db2.gz PEPPXYPVDWBXDN-DZGCQCFKSA-N 1 0 324.421 1.048 10 0 DDAERO CCc1nsc(N2CCN(C(=O)[C@@H]3CCC[C@H]([NH3+])C3)CC2)n1 ZINC000178814966 407611168 /nfs/dbraw/zinc/61/11/68/407611168.db2.gz KBAAZODDOSDJET-NEPJUHHUSA-N 1 0 323.466 1.267 10 0 DDAERO CC(C)(C)OC(=O)NCCN1CCO[C@@H](Cn2cccn2)C1 ZINC000130264254 407669422 /nfs/dbraw/zinc/66/94/22/407669422.db2.gz OHXMFMDGBLYHIP-CYBMUJFWSA-N 1 0 310.398 1.109 10 0 DDAERO Cc1ccnc(-c2cccc(NC(=O)C3([NH3+])CCOCC3)c2)n1 ZINC000261911937 407669441 /nfs/dbraw/zinc/66/94/41/407669441.db2.gz TVINFDNSGHZSKB-UHFFFAOYSA-N 1 0 312.373 1.898 10 0 DDAERO CN(C)c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261942328 407680786 /nfs/dbraw/zinc/68/07/86/407680786.db2.gz NAIOCLOOZWDTEV-GVDBMIGSSA-N 1 0 303.450 1.999 10 0 DDAERO OC[C@@H]1C[C@H](O)C[N@@H+]1C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000186513246 407688450 /nfs/dbraw/zinc/68/84/50/407688450.db2.gz ZAYOQOLTWMLDDW-MELADBBJSA-N 1 0 310.781 1.261 10 0 DDAERO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)[C@H]1CC(F)(F)CN1 ZINC000261972498 407699303 /nfs/dbraw/zinc/69/93/03/407699303.db2.gz BOIMKJZNKOSJLK-SECBINFHSA-N 1 0 316.377 1.546 10 0 DDAERO O=C(Nc1ccc(Cl)cc1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171586048 407711993 /nfs/dbraw/zinc/71/19/93/407711993.db2.gz PDCWTFGKZVMLCE-CYBMUJFWSA-N 1 0 307.781 1.585 10 0 DDAERO C[NH+]1CCC(NC(=O)N2CCC(Nc3cccnn3)CC2)CC1 ZINC000152899567 407713599 /nfs/dbraw/zinc/71/35/99/407713599.db2.gz CDXREEYXQHTIOG-UHFFFAOYSA-N 1 0 318.425 1.157 10 0 DDAERO Cc1cc(NC(=O)CC[N@@H+]2CCC[C@H](n3cncn3)C2)no1 ZINC000171616446 407719660 /nfs/dbraw/zinc/71/96/60/407719660.db2.gz NDHOKFMFCIOUJQ-LBPRGKRZSA-N 1 0 304.354 1.240 10 0 DDAERO Cc1cnc2c(cccc2S(=O)(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000235412283 407720281 /nfs/dbraw/zinc/72/02/81/407720281.db2.gz CPCNAXPQJUGXCE-YPMHNXCESA-N 1 0 305.403 1.511 10 0 DDAERO O[C@H](COc1ccccc1Cl)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171626730 407722502 /nfs/dbraw/zinc/72/25/02/407722502.db2.gz FDBZKLDMHIRYMH-KGLIPLIRSA-N 1 0 310.825 1.860 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(F)cc3cccnc32)CCO1 ZINC000152978289 407728857 /nfs/dbraw/zinc/72/88/57/407728857.db2.gz RFMQSLHRKXNPSF-CQSZACIVSA-N 1 0 317.364 1.777 10 0 DDAERO [NH3+]C1(C(=O)NCCc2ccn(-c3ccccc3)n2)CCOCC1 ZINC000261902314 407662575 /nfs/dbraw/zinc/66/25/75/407662575.db2.gz RTGHGANDQLRWTF-UHFFFAOYSA-N 1 0 314.389 1.039 10 0 DDAERO CC(=O)N1CCCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000171663521 407733009 /nfs/dbraw/zinc/73/30/09/407733009.db2.gz JYUVOPUSGGOCEL-KRWDZBQOSA-N 1 0 317.433 1.240 10 0 DDAERO C[N@H+](CCCNC(=O)[C@H]([NH3+])C1CCOCC1)C1CCCCC1 ZINC000262115029 407743940 /nfs/dbraw/zinc/74/39/40/407743940.db2.gz VXQYQBDVQFEMRK-MRXNPFEDSA-N 1 0 311.470 1.511 10 0 DDAERO COCCCNC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171756802 407762368 /nfs/dbraw/zinc/76/23/68/407762368.db2.gz FOWGKFSTUILWJW-UHFFFAOYSA-N 1 0 323.441 1.025 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N(C)Cc1cccc(OC(F)(F)F)c1 ZINC000262237835 407773129 /nfs/dbraw/zinc/77/31/29/407773129.db2.gz HMGNUTWYRZRXOO-LLVKDONJSA-N 1 0 306.284 1.517 10 0 DDAERO CCc1cnc(N2CCN(C(=O)[C@@H]3CCC[C@H]([NH3+])C3)CC2)s1 ZINC000262246538 407776444 /nfs/dbraw/zinc/77/64/44/407776444.db2.gz CIWLZPVFPJKERQ-OLZOCXBDSA-N 1 0 322.478 1.872 10 0 DDAERO COc1cccc(C[NH+]2CCC(N(C)c3cccnn3)CC2)n1 ZINC000171828613 407776985 /nfs/dbraw/zinc/77/69/85/407776985.db2.gz BVZDZFUTCWUUCI-UHFFFAOYSA-N 1 0 313.405 1.981 10 0 DDAERO Cc1cccc2[nH]cc(CC(=O)N3CCO[C@H](C[NH+](C)C)C3)c21 ZINC000116793048 407780521 /nfs/dbraw/zinc/78/05/21/407780521.db2.gz QBSLUJHDVMCBJR-OAHLLOKOSA-N 1 0 315.417 1.808 10 0 DDAERO CCO[C@H](C)c1noc(CN(C)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000262287893 407786018 /nfs/dbraw/zinc/78/60/18/407786018.db2.gz MUOBHRPPWBNUHU-UTUOFQBUSA-N 1 0 310.398 1.643 10 0 DDAERO C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000153200540 407777292 /nfs/dbraw/zinc/77/72/92/407777292.db2.gz DBJCGFAVSMNFKH-BFQNTYOBSA-N 1 0 312.360 1.497 10 0 DDAERO CC(=O)c1ccc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000116928827 407797247 /nfs/dbraw/zinc/79/72/47/407797247.db2.gz YXLXKIULDHRVTA-OAHLLOKOSA-N 1 0 305.378 1.684 10 0 DDAERO CN1c2ccc(C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cc2CCC1=O ZINC000186938218 407800368 /nfs/dbraw/zinc/80/03/68/407800368.db2.gz WMRALJNVTBJMLC-ZNMIVQPWSA-N 1 0 313.401 1.405 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)NCCCOc2ccccc2)CCO1 ZINC000117028155 407806689 /nfs/dbraw/zinc/80/66/89/407806689.db2.gz QHVVSPQNDCDQJL-MRXNPFEDSA-N 1 0 321.421 1.428 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)NCCCc2cccc(F)c2)CCO1 ZINC000117048364 407809697 /nfs/dbraw/zinc/80/96/97/407809697.db2.gz HBNZFWUOUJWMHQ-INIZCTEOSA-N 1 0 323.412 1.730 10 0 DDAERO C[C@@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)Oc1ccccc1 ZINC000117050791 407809906 /nfs/dbraw/zinc/80/99/06/407809906.db2.gz KGSHADQWBPJRPW-HOCLYGCPSA-N 1 0 321.421 1.426 10 0 DDAERO COC[C@H]([NH3+])C(=O)NCC1(c2ccccc2OC)CCCC1 ZINC000262361721 407811976 /nfs/dbraw/zinc/81/19/76/407811976.db2.gz VPNOFWKTRBTFBV-AWEZNQCLSA-N 1 0 306.406 1.597 10 0 DDAERO CC[C@@H]1CN(C(=O)NC[C@@H](C)COC)CC[N@@H+]1CCOC ZINC000172489218 407832583 /nfs/dbraw/zinc/83/25/83/407832583.db2.gz HHNNOJXNDOAMAJ-ZIAGYGMSSA-N 1 0 301.431 1.021 10 0 DDAERO CC[C@H]1CN(C(=O)c2cccc(N(C)C)c2)CC[N@@H+]1CCOC ZINC000117426053 407833042 /nfs/dbraw/zinc/83/30/42/407833042.db2.gz JTDCPQJFELOIGV-INIZCTEOSA-N 1 0 319.449 1.935 10 0 DDAERO COc1ccccc1NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000262529724 407859375 /nfs/dbraw/zinc/85/93/75/407859375.db2.gz PKHCQDSMIRVPQT-ZDUSSCGKSA-N 1 0 304.394 1.207 10 0 DDAERO COC(=O)C1CCC(C(=O)N(C)CC2CC[NH+](C)CC2)CC1 ZINC000180171137 407863339 /nfs/dbraw/zinc/86/33/39/407863339.db2.gz XDEUSPAKQPYDJD-UHFFFAOYSA-N 1 0 310.438 1.766 10 0 DDAERO COCC[N@@H+]1CCN([C@H](C(=O)OC)c2ccccc2)C[C@@H]1C ZINC000117880015 407866990 /nfs/dbraw/zinc/86/69/90/407866990.db2.gz VMMISWYYOVDDNF-HOCLYGCPSA-N 1 0 306.406 1.553 10 0 DDAERO CCc1ccc(NC(=O)[C@H]([NH3+])[C@H](C)CC)cc1S(N)(=O)=O ZINC000262619501 407882430 /nfs/dbraw/zinc/88/24/30/407882430.db2.gz MXBQSKIZVROZOT-NOZJJQNGSA-N 1 0 313.423 1.208 10 0 DDAERO Cc1cnn(CCNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000118081080 407882717 /nfs/dbraw/zinc/88/27/17/407882717.db2.gz CGJPBDIOJKCGGI-INIZCTEOSA-N 1 0 319.453 1.851 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)[C@@H](C)CC(=O)OC)C[C@@H]1CC ZINC000134084451 407885256 /nfs/dbraw/zinc/88/52/56/407885256.db2.gz WXQUWIIANWOQCB-KBPBESRZSA-N 1 0 314.426 1.145 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(F)cc2)C1 ZINC000173563527 407888275 /nfs/dbraw/zinc/88/82/75/407888275.db2.gz AJKPRBNCPQGQLC-CQSZACIVSA-N 1 0 307.369 1.042 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2cccc3[nH]ccc32)CCO1 ZINC000118815556 407947653 /nfs/dbraw/zinc/94/76/53/407947653.db2.gz TUCLTKVDEJQOGD-GFCCVEGCSA-N 1 0 302.378 1.962 10 0 DDAERO C[C@H]1C[C@H](NS(=O)(=O)c2cc(F)c(F)cc2F)CC[NH2+]1 ZINC000262745249 407914210 /nfs/dbraw/zinc/91/42/10/407914210.db2.gz ACGICIXKQMKDLG-JGVFFNPUSA-N 1 0 308.325 1.523 10 0 DDAERO CC[C@H]1CN(C(=O)N[C@@H](C)CSC)CC[N@@H+]1CCOC ZINC000153890591 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O[C@@H]1C[NH2+]C[C@H]1CNCc1c[nH]nc1-c1cccc(Cl)c1 ZINC000263236105 408071300 /nfs/dbraw/zinc/07/13/00/408071300.db2.gz OAVCUENOELTXPL-BXUZGUMPSA-N 1 0 306.797 1.400 10 0 DDAERO CCOC(=O)CC[C@@H](C)NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000245810997 408072253 /nfs/dbraw/zinc/07/22/53/408072253.db2.gz CLGAYGBQKCTGCL-ZIAGYGMSSA-N 1 0 313.442 1.844 10 0 DDAERO COCCO[C@@H]1CC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000189682512 408079591 /nfs/dbraw/zinc/07/95/91/408079591.db2.gz FNURJLMAZWPYES-DLBZAZTESA-N 1 0 309.406 1.301 10 0 DDAERO CC[C@@H]1CN(C(=O)NCC2(OC)CCC2)CC[N@@H+]1C[C@@H](C)O ZINC000182157945 408083090 /nfs/dbraw/zinc/08/30/90/408083090.db2.gz OPZLEJJWHMZUEN-ZIAGYGMSSA-N 1 0 313.442 1.042 10 0 DDAERO CN(C)[C@H](c1nc([C@H]2C[NH2+]CCN2C)no1)c1ccccc1 ZINC000263272199 408084159 /nfs/dbraw/zinc/08/41/59/408084159.db2.gz SIQPFEVDJPDGHD-KGLIPLIRSA-N 1 0 301.394 1.297 10 0 DDAERO COc1cc(Br)ccc1CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000263285458 408090229 /nfs/dbraw/zinc/09/02/29/408090229.db2.gz 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OTNHWVOZIUNYMS-CVEARBPZSA-N 1 0 323.481 1.430 10 0 DDAERO Cn1ccnc(N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1=O ZINC000190448565 408249584 /nfs/dbraw/zinc/24/95/84/408249584.db2.gz YWVQKLOXYAJMRF-OAHLLOKOSA-N 1 0 313.405 1.134 10 0 DDAERO CN1CCO[C@@H](CNC(=O)Nc2ccc(-c3ncco3)cc2)C1 ZINC000182590797 408199732 /nfs/dbraw/zinc/19/97/32/408199732.db2.gz WGYDTPMJJLRSHC-AWEZNQCLSA-N 1 0 316.361 1.794 10 0 DDAERO Cc1ccncc1NC(=O)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000150799021 408202289 /nfs/dbraw/zinc/20/22/89/408202289.db2.gz HQGISEYOEICJSE-GXTWGEPZSA-N 1 0 304.394 1.173 10 0 DDAERO CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000246307171 408212116 /nfs/dbraw/zinc/21/21/16/408212116.db2.gz ACNZPWJRACRUKJ-ZIAGYGMSSA-N 1 0 307.442 1.683 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000246310517 408217044 /nfs/dbraw/zinc/21/70/44/408217044.db2.gz NPMCEYSENASSPF-FMKPAKJESA-N 1 0 308.470 1.737 10 0 DDAERO Cc1noc(CCC(=O)N[C@H](C[NH+](C)C)c2ccccc2)n1 ZINC000127301659 161921802 /nfs/dbraw/zinc/92/18/02/161921802.db2.gz NAHJVKKRQXMTCO-CQSZACIVSA-N 1 0 302.378 1.730 10 0 DDAERO CCO[C@H](C)c1noc(CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)n1 ZINC000246714520 408323143 /nfs/dbraw/zinc/32/31/43/408323143.db2.gz HNUOQWKEVUAKIK-RWMBFGLXSA-N 1 0 312.414 1.054 10 0 DDAERO C[C@@H]([NH2+]CC(=O)NCCCN(C)c1ccccc1)[C@H]1CCCO1 ZINC000183101510 408326847 /nfs/dbraw/zinc/32/68/47/408326847.db2.gz OWSDMWAOXWATTH-NVXWUHKLSA-N 1 0 319.449 1.786 10 0 DDAERO CC(C)Oc1cccnc1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000176059714 408277108 /nfs/dbraw/zinc/27/71/08/408277108.db2.gz KHIHQDKEHUHPEV-ZDUSSCGKSA-N 1 0 307.394 1.271 10 0 DDAERO CC[N@H+](CC(=O)N[C@H](CC(=O)OC)c1ccccc1)C1CC1 ZINC000151268160 408286891 /nfs/dbraw/zinc/28/68/91/408286891.db2.gz YRMNMJMFIVZLEY-OAHLLOKOSA-N 1 0 304.390 1.891 10 0 DDAERO Cc1ccccc1CCNC(=O)[C@@H](C)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246570509 408295410 /nfs/dbraw/zinc/29/54/10/408295410.db2.gz RKMSUKUUPDIJNM-AEFFLSMTSA-N 1 0 315.461 1.822 10 0 DDAERO COc1cccc(OCC[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000246754253 408334198 /nfs/dbraw/zinc/33/41/98/408334198.db2.gz QJSFXVLGDRQGGI-MAUKXSAKSA-N 1 0 320.433 1.727 10 0 DDAERO CCCn1nccc1NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000246818511 408347516 /nfs/dbraw/zinc/34/75/16/408347516.db2.gz AFIXJUBMHQFWAN-UONOGXRCSA-N 1 0 323.441 1.602 10 0 DDAERO COC(=O)c1sccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183190973 408348400 /nfs/dbraw/zinc/34/84/00/408348400.db2.gz ZFIRKWSVGXVUFX-ONGXEEELSA-N 1 0 312.391 1.630 10 0 DDAERO CC(=O)NCc1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000246821562 408348587 /nfs/dbraw/zinc/34/85/87/408348587.db2.gz CLWUQWXWTMCOJD-GUYCJALGSA-N 1 0 315.417 1.631 10 0 DDAERO O=C(CCC1CCCC1)NCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000170682292 162188514 /nfs/dbraw/zinc/18/85/14/162188514.db2.gz WFRSJLHLRDBYRD-MRXNPFEDSA-N 1 0 321.465 1.770 10 0 DDAERO CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000171278755 162210868 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322.371 1.880 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(Cc2ccc(N(C)CC)nc2)CC1 ZINC000191346621 163182044 /nfs/dbraw/zinc/18/20/44/163182044.db2.gz GQXGGUNZOUOBTC-MRXNPFEDSA-N 1 0 306.454 1.426 10 0 DDAERO O=C(Cc1ccc(-n2cccn2)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195332945 163317145 /nfs/dbraw/zinc/31/71/45/163317145.db2.gz UCNIKEWZHFGGEO-KRWDZBQOSA-N 1 0 310.401 1.721 10 0 DDAERO COc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cc1Cl ZINC000261575865 163667785 /nfs/dbraw/zinc/66/77/85/163667785.db2.gz BUPKADGBLUYGLE-GZMMTYOYSA-N 1 0 304.799 1.459 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000262103787 163768174 /nfs/dbraw/zinc/76/81/74/163768174.db2.gz DYSXNFAKWBKLLN-YMTOWFKASA-N 1 0 320.780 1.040 10 0 DDAERO O=C(CC(F)(F)F)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262328659 163808536 /nfs/dbraw/zinc/80/85/36/163808536.db2.gz SETQIENZPDFNJW-WDEREUQCSA-N 1 0 321.343 1.046 10 0 DDAERO COC[C@H]([NH3+])C(=O)NCc1cccc(COCC(F)(F)F)c1 ZINC000262363067 163814966 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C[C@H](CC[NH3+])CCC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000079117916 185159402 /nfs/dbraw/zinc/15/94/02/185159402.db2.gz IZTNCQOEDSYYEM-RYUDHWBXSA-N 1 0 309.376 1.752 10 0 DDAERO CC(C)(C)[C@@H](CC[NH3+])CCC(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000079294593 185163793 /nfs/dbraw/zinc/16/37/93/185163793.db2.gz MAUJZMCLFGUUSH-OLZOCXBDSA-N 1 0 318.483 1.471 10 0 DDAERO COCCS(=O)(=O)C[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000081944822 192345427 /nfs/dbraw/zinc/34/54/27/192345427.db2.gz PDLLIWDTRWNSHV-IHXHZNKUSA-N 1 0 301.452 1.591 10 0 DDAERO C[C@H]([NH2+]CCN1CCCS1(=O)=O)c1cc(F)ccc1F ZINC000089519832 539172872 /nfs/dbraw/zinc/17/28/72/539172872.db2.gz LCXNYNSQVSQTLG-JTQLQIEISA-N 1 0 304.362 1.651 10 0 DDAERO Fc1ccc(Br)cc1OCCN1CC[NH2+]CC1 ZINC000083256813 185221721 /nfs/dbraw/zinc/22/17/21/185221721.db2.gz OZJPYVYWXPOMKH-UHFFFAOYSA-N 1 0 303.175 1.872 10 0 DDAERO CC(C)([C@@H](O)[C@H](C[NH3+])c1ccc(F)cc1Cl)S(C)(=O)=O ZINC000087380789 185223026 /nfs/dbraw/zinc/22/30/26/185223026.db2.gz VIIAOKZWRPGYBB-PWSUYJOCSA-N 1 0 323.817 1.706 10 0 DDAERO CC(C)[C@@H](C[NH3+])NS(=O)(=O)c1ccc(Br)cc1 ZINC000087404791 185223988 /nfs/dbraw/zinc/22/39/88/185223988.db2.gz BCNFALNOVLYUGV-LLVKDONJSA-N 1 0 321.240 1.711 10 0 DDAERO CCCCN(C(=O)[C@@H](C[NH3+])CCC)[C@H]1CCS(=O)(=O)C1 ZINC000087525071 185227692 /nfs/dbraw/zinc/22/76/92/185227692.db2.gz IENHGIYQYURCCO-OLZOCXBDSA-N 1 0 304.456 1.177 10 0 DDAERO CC(C)C[C@](C)(O)CNc1nc(NN)[nH+]cc1Br ZINC000087890806 185234750 /nfs/dbraw/zinc/23/47/50/185234750.db2.gz ATBZHWIWAKSIEK-NSHDSACASA-N 1 0 318.219 1.734 10 0 DDAERO COc1cc(Br)c([C@H](C[NH3+])NCCO)cc1OC ZINC000087903481 185237355 /nfs/dbraw/zinc/23/73/55/185237355.db2.gz YWENAWXPZGBXEO-JTQLQIEISA-N 1 0 319.199 1.048 10 0 DDAERO O=S(=O)(Nc1cc(C(F)(F)F)ccc1F)[C@@H]1CC[NH2+]C1 ZINC000088056811 185238310 /nfs/dbraw/zinc/23/83/10/185238310.db2.gz PJTLPMVMNIJHOF-MRVPVSSYSA-N 1 0 312.288 1.948 10 0 DDAERO C[C@@H]([NH3+])C[S@](=O)Cc1ccc(I)cc1 ZINC000088069447 185238572 /nfs/dbraw/zinc/23/85/72/185238572.db2.gz DSDUGPHMZJJABH-XLKFXECMSA-N 1 0 323.199 1.887 10 0 DDAERO COc1ccc(Br)cc1CS(=O)(=O)CC[NH3+] ZINC000088062230 185238587 /nfs/dbraw/zinc/23/85/87/185238587.db2.gz FVKZOBYNMHQQNK-UHFFFAOYSA-N 1 0 308.197 1.331 10 0 DDAERO C[C@H]([NH3+])C[S@@](=O)Cc1ccc(I)cc1 ZINC000088069444 185238652 /nfs/dbraw/zinc/23/86/52/185238652.db2.gz DSDUGPHMZJJABH-RTHLEPHNSA-N 1 0 323.199 1.887 10 0 DDAERO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CNC(=O)C3)cc2)C1 ZINC000249814423 282196392 /nfs/dbraw/zinc/19/63/92/282196392.db2.gz AHTPDOCZHDIIDV-ZFWWWQNUSA-N 1 0 315.417 1.993 10 0 DDAERO CC(C)C[C@@H](C[NH3+])CC(=O)NCCCOC[C@@H]1CCCO1 ZINC000088277974 185244611 /nfs/dbraw/zinc/24/46/11/185244611.db2.gz NNFVZUVMHXXRDU-CABCVRRESA-N 1 0 300.443 1.699 10 0 DDAERO CCC[C@H]1CC[C@H]([NH2+]CC)[C@H](S(=O)(=O)CC(=O)OC)C1 ZINC000081975711 192348335 /nfs/dbraw/zinc/34/83/35/192348335.db2.gz ZSNPQNMOYQMJTF-RWMBFGLXSA-N 1 0 305.440 1.521 10 0 DDAERO C[NH2+][C@H](c1ccc(C)cc1)[C@H](C)S(=O)(=O)CCC(=O)OC ZINC000081975172 192348399 /nfs/dbraw/zinc/34/83/99/192348399.db2.gz XYWCFCBZTMBGPZ-WFASDCNBSA-N 1 0 313.419 1.622 10 0 DDAERO COC(=O)CCS(=O)(=O)Cc1cc([C@@H](C)[NH3+])ccc1OC ZINC000081974495 192348506 /nfs/dbraw/zinc/34/85/06/192348506.db2.gz ZALTUYKGDGPQSP-SNVBAGLBSA-N 1 0 315.391 1.193 10 0 DDAERO Cc1cccc(N2CCN(S(=O)(=O)[C@@H](C)C[NH3+])CC2)c1C ZINC000088472401 185252256 /nfs/dbraw/zinc/25/22/56/185252256.db2.gz XMXYUHRARKVQTG-ZDUSSCGKSA-N 1 0 311.451 1.102 10 0 DDAERO C[C@H](C[NH3+])S(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000088472912 185252320 /nfs/dbraw/zinc/25/23/20/185252320.db2.gz VUOVMKLYMDQWRC-ZCFIWIBFSA-N 1 0 300.277 1.933 10 0 DDAERO CC(C)([NH3+])C(C)(C)C(=O)Nc1cnc(Br)cn1 ZINC000088446416 185251305 /nfs/dbraw/zinc/25/13/05/185251305.db2.gz PSNCHPFHFJSBTO-UHFFFAOYSA-N 1 0 301.188 1.941 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@H](C)OC[C@@H]2CC)o1 ZINC000088544355 185256755 /nfs/dbraw/zinc/25/67/55/185256755.db2.gz KRPYJCWVFXAUDA-RYUDHWBXSA-N 1 0 316.423 1.577 10 0 DDAERO C[C@@H]1CC[C@@H](C(=O)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)O1 ZINC000251726659 282204374 /nfs/dbraw/zinc/20/43/74/282204374.db2.gz MJBASNKKSZQTJD-PVAVHDDUSA-N 1 0 317.433 1.929 10 0 DDAERO CC[C@H]1CN(c2ncnc3onc(C)c32)CC[N@@H+]1C[C@@H](C)O ZINC000193394278 539261261 /nfs/dbraw/zinc/26/12/61/539261261.db2.gz GRRXQWCSPIDJTJ-PWSUYJOCSA-N 1 0 305.382 1.208 10 0 DDAERO Cc1cc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)sc1CO ZINC000088876142 185267964 /nfs/dbraw/zinc/26/79/64/185267964.db2.gz AJIUCHYEVNUQKK-UHFFFAOYSA-N 1 0 318.464 1.264 10 0 DDAERO COCCCS(=O)(=O)[C@H]1CCc2cc(OC)ccc2[C@H]1[NH3+] ZINC000081985718 192349347 /nfs/dbraw/zinc/34/93/47/192349347.db2.gz BJUAPIIYFAVTFW-LSDHHAIUSA-N 1 0 313.419 1.461 10 0 DDAERO Cc1ccccc1S(=O)(=O)NCc1ccc(C(N)=[NH2+])cc1 ZINC000088717007 185263139 /nfs/dbraw/zinc/26/31/39/185263139.db2.gz VVMPZZVFRHDVDC-UHFFFAOYSA-N 1 0 303.387 1.758 10 0 DDAERO CC[NH2+][C@H]1CCC(C)(C)C[C@@H]1S(=O)(=O)CC(=O)OCC ZINC000081978042 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CC[N@@H+]1CCC[C@@H](NC(=O)NCCCOC2CCOCC2)C1 ZINC000174234833 248358623 /nfs/dbraw/zinc/35/86/23/248358623.db2.gz MSPHRBLXHJVLNQ-CQSZACIVSA-N 1 0 313.442 1.356 10 0 DDAERO C[NH+](C)CCN[C@](C)(C(N)=O)c1cccc(Br)c1 ZINC000037951728 182942955 /nfs/dbraw/zinc/94/29/55/182942955.db2.gz MCQVPAZEDWOBMX-ZDUSSCGKSA-N 1 0 314.227 1.301 10 0 DDAERO CC[NH+](CC)CCN(CCOC)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000191285569 284617797 /nfs/dbraw/zinc/61/77/97/284617797.db2.gz BHNVLSCTLIMBNA-HUUCEWRRSA-N 1 0 300.443 1.618 10 0 DDAERO CC1(C)C=C(C(=O)NCCNC(=O)c2ccccn2)C(C)(C)[NH2+]1 ZINC000040466911 183072635 /nfs/dbraw/zinc/07/26/35/183072635.db2.gz LOTGBAGKLRGMLG-UHFFFAOYSA-N 1 0 316.405 1.014 10 0 DDAERO CC(C)([NH2+]C[C@H](O)c1cccc(Br)c1)C(N)=O ZINC000040674957 183116366 /nfs/dbraw/zinc/11/63/66/183116366.db2.gz VXAKPZUERBNASM-JTQLQIEISA-N 1 0 301.184 1.336 10 0 DDAERO CSc1nnc(CNC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])s1 ZINC000333779263 249103858 /nfs/dbraw/zinc/10/38/58/249103858.db2.gz KPVKJZUKKURFFA-RKDXNWHRSA-N 1 0 315.468 1.529 10 0 DDAERO C[C@@H](NC(=O)[C@@](C)([NH3+])C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000040855784 183143087 /nfs/dbraw/zinc/14/30/87/183143087.db2.gz MVNNLMHRWAXQSJ-BMIGLBTASA-N 1 0 310.419 1.395 10 0 DDAERO Nc1cc(N)[nH+]c(SCC(=O)Nc2ccc(F)cc2N)n1 ZINC000041023438 183156507 /nfs/dbraw/zinc/15/65/07/183156507.db2.gz BSKHOXJJHONLSH-UHFFFAOYSA-N 1 0 308.342 1.093 10 0 DDAERO C[NH+](C)CCNc1ncnc2c1cnn2-c1cccc(F)c1 ZINC000041471710 183193108 /nfs/dbraw/zinc/19/31/08/183193108.db2.gz MLMFMKQTFIYTLU-UHFFFAOYSA-N 1 0 300.341 1.928 10 0 DDAERO C[C@@H]1CN(S(=O)(=O)CC[C@@H]2CCCC[NH2+]2)CC(C)(C)O1 ZINC000041681322 183215859 /nfs/dbraw/zinc/21/58/59/183215859.db2.gz IGCFOKRQYOQSFI-OLZOCXBDSA-N 1 0 304.456 1.348 10 0 DDAERO CCN(C[C@H](C)C[NH3+])c1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000042442500 183271201 /nfs/dbraw/zinc/27/12/01/183271201.db2.gz GXMIKWVMRUUNKS-CYBMUJFWSA-N 1 0 313.467 1.794 10 0 DDAERO CCC(CC)N(CCO)S(=O)(=O)Cc1ccccc1C[NH3+] ZINC000042514352 183278818 /nfs/dbraw/zinc/27/88/18/183278818.db2.gz IAYOTIXPHAJKKM-UHFFFAOYSA-N 1 0 314.451 1.458 10 0 DDAERO CC(C)N(Cc1cccs1)C1(C[NH3+])CCS(=O)(=O)CC1 ZINC000042332582 183255534 /nfs/dbraw/zinc/25/55/34/183255534.db2.gz LTILLAQBNNMBIY-UHFFFAOYSA-N 1 0 316.492 1.865 10 0 DDAERO COCCN(CC(C)C)S(=O)(=O)c1cccc(C[NH3+])c1 ZINC000042370686 183259744 /nfs/dbraw/zinc/25/97/44/183259744.db2.gz QTQVZMOPHDECMQ-UHFFFAOYSA-N 1 0 300.424 1.438 10 0 DDAERO CC[C@H]([NH3+])[C@H](c1ccccc1F)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043044144 183331728 /nfs/dbraw/zinc/33/17/28/183331728.db2.gz PNYJAMXIVPQAIG-UGFHNGPFSA-N 1 0 314.426 1.723 10 0 DDAERO C[C@H]([NH3+])[C@H](c1ccccc1Cl)N1CCS(=O)(=O)CC1 ZINC000043051546 183332648 /nfs/dbraw/zinc/33/26/48/183332648.db2.gz LPZNNFQAQKSKLB-GXFFZTMASA-N 1 0 302.827 1.459 10 0 DDAERO CCCN(CC(F)(F)F)S(=O)(=O)CCC[NH2+]C(C)C ZINC000042782490 183309424 /nfs/dbraw/zinc/30/94/24/183309424.db2.gz UQEWLYGTVFDCRQ-UHFFFAOYSA-N 1 0 304.378 1.979 10 0 DDAERO [NH3+]C[C@H](c1ccc(Br)s1)N1CCC(O)CC1 ZINC000043258793 183348269 /nfs/dbraw/zinc/34/82/69/183348269.db2.gz QDJMWMZSDHCVGY-SECBINFHSA-N 1 0 305.241 1.967 10 0 DDAERO COC[C@H](C)NC(=O)COc1ccc(C[C@H](C)[NH3+])cc1Cl ZINC000043491638 183366487 /nfs/dbraw/zinc/36/64/87/183366487.db2.gz FJABYDCKMZPMJC-QWRGUYRKSA-N 1 0 314.813 1.760 10 0 DDAERO CCO[C@@H]1CCCN(S(=O)(=O)c2ccc(CC[NH3+])cc2)C1 ZINC000044594613 183426130 /nfs/dbraw/zinc/42/61/30/183426130.db2.gz VLDHZSLREBXOEK-CQSZACIVSA-N 1 0 312.435 1.377 10 0 DDAERO CCCNC(=O)CC[NH2+]C[C@H](O)CO[C@H]1CCCC[C@@H]1C ZINC000045073704 183479848 /nfs/dbraw/zinc/47/98/48/183479848.db2.gz IAYFBOVOHJABDR-KKUMJFAQSA-N 1 0 300.443 1.449 10 0 DDAERO CC(C)[NH2+][C@@](C)(CSc1ncnc2ccccc21)C(N)=O ZINC000045594812 183517875 /nfs/dbraw/zinc/51/78/75/183517875.db2.gz CBRIWIPGFDTTHT-HNNXBMFYSA-N 1 0 304.419 1.964 10 0 DDAERO CCC[NH+](CCC)CCCNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000105241788 194088292 /nfs/dbraw/zinc/08/82/92/194088292.db2.gz TXUYWYZNMGBBAX-OAHLLOKOSA-N 1 0 314.474 1.128 10 0 DDAERO Cc1nn(C)c(C)c1CN1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000105865663 194150221 /nfs/dbraw/zinc/15/02/21/194150221.db2.gz DDBLOTNHVOEJHD-INIZCTEOSA-N 1 0 306.454 1.724 10 0 DDAERO CC[C@H]1CN(CC(=O)N2CCCCCC2)CC[N@@H+]1CCOC ZINC000105835958 194141627 /nfs/dbraw/zinc/14/16/27/194141627.db2.gz FFWHPPWZXLCVIN-INIZCTEOSA-N 1 0 311.470 1.432 10 0 DDAERO CC(C)OCC[NH+]1CCN(C[C@H](O)COC(C)(C)C)CC1 ZINC000105894135 194160935 /nfs/dbraw/zinc/16/09/35/194160935.db2.gz XVLTXICUVORQSK-HNNXBMFYSA-N 1 0 302.459 1.205 10 0 DDAERO O[C@@H](C[N@@H+]1CCC[C@H](n2cncn2)C1)c1ccc(F)cc1F ZINC000105898885 194164652 /nfs/dbraw/zinc/16/46/52/194164652.db2.gz YMMJREUZDLNGSG-WFASDCNBSA-N 1 0 308.332 1.927 10 0 DDAERO Cc1nc(C)n(C[C@H]2CCC[N@@H+](C[C@H](O)COC(C)C)C2)n1 ZINC000105903844 194167320 /nfs/dbraw/zinc/16/73/20/194167320.db2.gz YZTTUYKORSSTRO-HOTGVXAUSA-N 1 0 310.442 1.393 10 0 DDAERO CCOCC[N@@H+]1CCN(CC(=O)OC(C)(C)C)C[C@@H]1CC ZINC000105914814 194168524 /nfs/dbraw/zinc/16/85/24/194168524.db2.gz ILPOHQLRSPKGDH-AWEZNQCLSA-N 1 0 300.443 1.761 10 0 DDAERO Cc1ccc(NC(=O)CN2CCO[C@@H](C[NH+](C)C)C2)c(C)c1 ZINC000105925058 194171907 /nfs/dbraw/zinc/17/19/07/194171907.db2.gz OQZXIOPTRBMYFT-HNNXBMFYSA-N 1 0 305.422 1.504 10 0 DDAERO CC[NH2+]CCS(=O)(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000049642335 183750750 /nfs/dbraw/zinc/75/07/50/183750750.db2.gz RJCINQMKXWEKPY-UHFFFAOYSA-N 1 0 312.313 1.936 10 0 DDAERO COC(=O)[C@](C)([NH3+])CCCn1nc(C)c(Br)c1C ZINC000050594828 183790130 /nfs/dbraw/zinc/79/01/30/183790130.db2.gz MWINRDBKCXSNPO-GFCCVEGCSA-N 1 0 318.215 1.933 10 0 DDAERO Cn1cnnc1CC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000109421715 194262187 /nfs/dbraw/zinc/26/21/87/194262187.db2.gz YFMUGNMKSBWCAJ-UHFFFAOYSA-N 1 0 308.769 1.572 10 0 DDAERO C[C@@H]([NH2+]CCc1nncn1C)c1ccc(S(C)(=O)=O)cc1 ZINC000109421083 194262884 /nfs/dbraw/zinc/26/28/84/194262884.db2.gz RGAGSMXXAISCMY-LLVKDONJSA-N 1 0 308.407 1.112 10 0 DDAERO Cc1cc2ccccc2nc1N1CC[NH+](CC(N)=S)CC1 ZINC000109442986 194263627 /nfs/dbraw/zinc/26/36/27/194263627.db2.gz BUMBDTFANPQKSN-UHFFFAOYSA-N 1 0 300.431 1.951 10 0 DDAERO CC[C@H](C[NH3+])N1CCN(c2ncccc2C(F)(F)F)CC1 ZINC000109455005 194265107 /nfs/dbraw/zinc/26/51/07/194265107.db2.gz DEZSFCWOYAMXAX-LLVKDONJSA-N 1 0 302.344 1.960 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN(C(=O)c2cccc(C)c2)CC1 ZINC000109460527 194266259 /nfs/dbraw/zinc/26/62/59/194266259.db2.gz DUFUGOJEHRHWAT-CQSZACIVSA-N 1 0 305.447 1.818 10 0 DDAERO C[C@H]1CCC[C@@H](CNC(=O)c2ccc(S(C)(=O)=O)cc2)[NH2+]1 ZINC000051573025 183830415 /nfs/dbraw/zinc/83/04/15/183830415.db2.gz BPLQHIBOCKIZFH-AAEUAGOBSA-N 1 0 310.419 1.351 10 0 DDAERO CCc1cccc2ccn(CC[NH2+][C@@H]3CCS(=O)(=O)C3)c21 ZINC000053524720 183905392 /nfs/dbraw/zinc/90/53/92/183905392.db2.gz UKKORXBZNFKIAQ-OAHLLOKOSA-N 1 0 306.431 1.980 10 0 DDAERO CN(C)C(=O)C[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000110820585 194360867 /nfs/dbraw/zinc/36/08/67/194360867.db2.gz HNHYFGFQXBBDKJ-ZDUSSCGKSA-N 1 0 311.223 1.984 10 0 DDAERO COc1ccc(OC)c(S(=O)(=O)N(C)[C@@H]2CCC[NH2+]C2)c1 ZINC000110927831 194370022 /nfs/dbraw/zinc/37/00/22/194370022.db2.gz ZYRPHUKXZXBLOR-LLVKDONJSA-N 1 0 314.407 1.076 10 0 DDAERO COc1ccc(S(=O)(=O)N(C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000110927964 194370666 /nfs/dbraw/zinc/37/06/66/194370666.db2.gz JTMFWMZTINAGNB-NSHDSACASA-N 1 0 314.407 1.076 10 0 DDAERO CN(CCC[NH+](C)C)S(=O)(=O)c1ccc(Cl)c(N)c1 ZINC000111131228 194393418 /nfs/dbraw/zinc/39/34/18/194393418.db2.gz QQMWTPDMASNLES-UHFFFAOYSA-N 1 0 305.831 1.494 10 0 DDAERO C[C@@H](C(=O)Nc1ccccc1C(N)=S)N(C)CC[NH+](C)C ZINC000111137310 194393992 /nfs/dbraw/zinc/39/39/92/194393992.db2.gz TVYIESCOQIYCHW-NSHDSACASA-N 1 0 308.451 1.141 10 0 DDAERO CN(CC1CCOCC1)S(=O)(=O)Cc1ccccc1C[NH3+] ZINC000111167076 194397279 /nfs/dbraw/zinc/39/72/79/194397279.db2.gz FEQMYFPCRSZZGK-UHFFFAOYSA-N 1 0 312.435 1.334 10 0 DDAERO C[NH+](C)CCNC(=O)c1cc(N)c(F)cc1Br ZINC000061079400 184161345 /nfs/dbraw/zinc/16/13/45/184161345.db2.gz RFOXYTZTLQZNBC-UHFFFAOYSA-N 1 0 304.163 1.462 10 0 DDAERO Cc1cnc(CNS(=O)(=O)c2cccc([C@@H](C)[NH3+])c2)cn1 ZINC000061323080 184168031 /nfs/dbraw/zinc/16/80/31/184168031.db2.gz IVAVYYUMOVAAIZ-LLVKDONJSA-N 1 0 306.391 1.283 10 0 DDAERO CC[C@H]([NH3+])[C@@H](N1CCN(CC(F)(F)F)CC1)C(F)(F)F ZINC000061940875 184197226 /nfs/dbraw/zinc/19/72/26/184197226.db2.gz SGVFSLCSBFMZLZ-DTWKUNHWSA-N 1 0 307.282 1.835 10 0 DDAERO CC[NH2+][C@H]1CCCCCC[C@@H]1N1CCN(S(C)(=O)=O)CC1 ZINC000062083965 184205073 /nfs/dbraw/zinc/20/50/73/184205073.db2.gz WPDAVLZSSGWWKI-GJZGRUSLSA-N 1 0 317.499 1.265 10 0 DDAERO Cc1cccc(C(=O)N2CCN(C(=O)CC[NH+](C)C)CC2)c1 ZINC000062187129 184217106 /nfs/dbraw/zinc/21/71/06/184217106.db2.gz KWSNCRNBLUDFCX-UHFFFAOYSA-N 1 0 303.406 1.231 10 0 DDAERO CCCN[C@H](CC[N@H+](CCOC)CC(C)C)C(=O)OCC ZINC000062458139 184237666 /nfs/dbraw/zinc/23/76/66/184237666.db2.gz JRWVNWJCAPIPQA-OAHLLOKOSA-N 1 0 302.459 1.912 10 0 DDAERO O=S(=O)(NCCc1[nH+]cc2ccccn21)NC1CCCC1 ZINC000062509372 184240550 /nfs/dbraw/zinc/24/05/50/184240550.db2.gz YRWCVGZNKDBKBZ-UHFFFAOYSA-N 1 0 308.407 1.243 10 0 DDAERO CCNS(=O)(=O)NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000062370557 184233555 /nfs/dbraw/zinc/23/35/55/184233555.db2.gz UKTYLDYJOYQASC-AWEZNQCLSA-N 1 0 315.414 1.407 10 0 DDAERO COCC[NH2+]Cc1cc(F)ccc1N(C)C[C@@H](O)COC ZINC000062737685 184252171 /nfs/dbraw/zinc/25/21/71/184252171.db2.gz ZPJNRNQJNCUHAC-CQSZACIVSA-N 1 0 300.374 1.005 10 0 DDAERO Cc1ccc(NC(=O)[C@H]2C[NH2+][C@@H](C)CN2)cc1C(F)(F)F ZINC000062815251 184254401 /nfs/dbraw/zinc/25/44/01/184254401.db2.gz KACNXMBYVYKQTO-JOYOIKCWSA-N 1 0 301.312 1.902 10 0 DDAERO CC[C@@]1(C(=O)Nc2cccc(S(C)(=O)=O)c2)CCC[NH2+]C1 ZINC000062856139 184256807 /nfs/dbraw/zinc/25/68/07/184256807.db2.gz OFUVLSJNAMWZEH-OAHLLOKOSA-N 1 0 310.419 1.808 10 0 DDAERO CN(C)C(=O)c1ccc(Cl)cc1NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062891568 184258414 /nfs/dbraw/zinc/25/84/14/184258414.db2.gz WJXNXHIDCISEHY-HNNXBMFYSA-N 1 0 309.797 1.980 10 0 DDAERO CC[C@]1(C(=O)N2CCN(Cc3cccs3)CC2)CC[NH2+]C1 ZINC000062894643 184258827 /nfs/dbraw/zinc/25/88/27/184258827.db2.gz FEGVKSUGJTWGBH-INIZCTEOSA-N 1 0 307.463 1.782 10 0 DDAERO CC(C)N(Cc1cccs1)[C@]1(C[NH3+])CCS(=O)(=O)C1 ZINC000062962620 184263115 /nfs/dbraw/zinc/26/31/15/184263115.db2.gz AORWWRQARODXEI-ZDUSSCGKSA-N 1 0 302.465 1.475 10 0 DDAERO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)Cc2cccc(N)c2)C1 ZINC000062975672 184263766 /nfs/dbraw/zinc/26/37/66/184263766.db2.gz IYPXUHNCZUBIHC-HNNXBMFYSA-N 1 0 311.451 1.515 10 0 DDAERO Nc1ccc(F)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000062975739 184264530 /nfs/dbraw/zinc/26/45/30/184264530.db2.gz SSRBKJJOJFUOBY-LBPRGKRZSA-N 1 0 313.398 1.267 10 0 DDAERO [NH3+]CCN1CCCN(C(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000063003856 184266000 /nfs/dbraw/zinc/26/60/00/184266000.db2.gz BFKQEQXAQJMVNR-UHFFFAOYSA-N 1 0 301.312 1.211 10 0 DDAERO CC[NH2+][C@](C)(CSc1ccc(S(C)(=O)=O)cc1)C(N)=O ZINC000063131836 184272147 /nfs/dbraw/zinc/27/21/47/184272147.db2.gz XTFNEZQSHFLRSX-CYBMUJFWSA-N 1 0 316.448 1.036 10 0 DDAERO [NH3+][C@@H]1CCC[C@H]1NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000063175483 184276209 /nfs/dbraw/zinc/27/62/09/184276209.db2.gz PVYJJUUMJCJTMU-RKDXNWHRSA-N 1 0 324.324 1.743 10 0 DDAERO [NH3+][C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000063175292 184276322 /nfs/dbraw/zinc/27/63/22/184276322.db2.gz MLNIEGXVRNKJNK-QWRGUYRKSA-N 1 0 324.324 1.743 10 0 DDAERO CCCOC(=O)c1ccc(NC(=O)C[NH2+]CCCOC)cc1 ZINC000066068253 184386160 /nfs/dbraw/zinc/38/61/60/184386160.db2.gz CFDMFHRCOXXNJJ-UHFFFAOYSA-N 1 0 308.378 1.818 10 0 DDAERO COc1ccc(CN(C)C(=O)CN2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261610120 207365024 /nfs/dbraw/zinc/36/50/24/207365024.db2.gz BXKHXGVFVQZFEP-INIZCTEOSA-N 1 0 319.449 1.713 10 0 DDAERO C[C@@H](C(N)=S)[NH+]1CCN(C(=O)CC[C@H]2CCCCO2)CC1 ZINC000069394708 184512094 /nfs/dbraw/zinc/51/20/94/184512094.db2.gz KMCAQSBJDUDVFF-QWHCGFSZSA-N 1 0 313.467 1.155 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)NCCOc2ccc(Cl)cn2)C1 ZINC000119795097 195037809 /nfs/dbraw/zinc/03/78/09/195037809.db2.gz ASNDFCKZDMTGGV-LBPRGKRZSA-N 1 0 312.801 1.459 10 0 DDAERO CCc1cccc2c(CCNC(=O)[C@@H]3C[C@H](O)C[NH2+]3)c[nH]c21 ZINC000157076842 197160196 /nfs/dbraw/zinc/16/01/96/197160196.db2.gz NXSBTRHHICGPCQ-ZFWWWQNUSA-N 1 0 301.390 1.112 10 0 DDAERO C[N@H+](CCO)C1CCN(c2ccc(Br)cn2)CC1 ZINC000155041406 197015869 /nfs/dbraw/zinc/01/58/69/197015869.db2.gz UQUFDGHPDFNXRF-UHFFFAOYSA-N 1 0 314.227 1.737 10 0 DDAERO Cc1ncc(CN2CCN(CC[C@@H]3CCOC3=O)CC2)s1 ZINC000120466133 195172148 /nfs/dbraw/zinc/17/21/48/195172148.db2.gz SXMZUBGYIIFHAU-CYBMUJFWSA-N 1 0 309.435 1.522 10 0 DDAERO COCC[N@@H+]1CCN(Cc2cc(OC)cc(OC)c2)C[C@@H]1C ZINC000120810637 195241964 /nfs/dbraw/zinc/24/19/64/195241964.db2.gz FELXEEMJKNJIJM-AWEZNQCLSA-N 1 0 308.422 1.856 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2ccc(OC)c(O)c2)C[C@@H]1C ZINC000120879331 195255507 /nfs/dbraw/zinc/25/55/07/195255507.db2.gz ZNAARKMAKBVZSM-AWEZNQCLSA-N 1 0 308.422 1.943 10 0 DDAERO Cn1cccc1C(=O)NC[C@@H]1C[C@H]2C[N@H+](CC3CC3)C[C@H]2O1 ZINC000248158989 257108322 /nfs/dbraw/zinc/10/83/22/257108322.db2.gz WRZDHYWXDZYKDM-OFQRWUPVSA-N 1 0 303.406 1.254 10 0 DDAERO Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@]3(N=C(C)N(C)C3=O)[C@@H]2C1 ZINC000248043940 257110862 /nfs/dbraw/zinc/11/08/62/257110862.db2.gz OXQWIKMMYNFBRQ-LXZKKBNFSA-N 1 0 316.405 1.762 10 0 DDAERO O=C(C[C@@H]1C[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2O1)N1CCC1 ZINC000247803415 257116867 /nfs/dbraw/zinc/11/68/67/257116867.db2.gz XCLIZZGHMCTRJM-ILXRZTDVSA-N 1 0 306.431 1.960 10 0 DDAERO O=C(NC[C@@H]1CO[C@H]2C[N@H+](CC3CC3)C[C@@H]12)c1cccnc1 ZINC000247385651 257118790 /nfs/dbraw/zinc/11/87/90/257118790.db2.gz KFJOBAAUGAEKIU-PMPSAXMXSA-N 1 0 301.390 1.168 10 0 DDAERO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CCOC2)N1Cc1cccnc1 ZINC000253616520 257104466 /nfs/dbraw/zinc/10/44/66/257104466.db2.gz MGZFLRBSSQVRQR-BZUAXINKSA-N 1 0 301.390 1.436 10 0 DDAERO C[C@@H]([NH3+])[C@@H]1CCCCN1c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000063196963 134813239 /nfs/dbraw/zinc/81/32/39/134813239.db2.gz JCKZYNUBAARVOA-DOMZBBRYSA-N 1 0 311.451 1.643 10 0 DDAERO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2cc[nH]c(=O)c2)C1 ZINC000286434272 286094420 /nfs/dbraw/zinc/09/44/20/286094420.db2.gz PTMRYEONMVSOCS-KBPBESRZSA-N 1 0 305.378 1.113 10 0 DDAERO c1c(-c2ccc3c(c2)OCO3)nn2ccnc(N3CC[NH2+]CC3)c12 ZINC000070459145 406818191 /nfs/dbraw/zinc/81/81/91/406818191.db2.gz FMRIHMRCDWQYOW-UHFFFAOYSA-N 1 0 323.356 1.535 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)NCCCOC)C[C@@H]1CC ZINC000172113142 298241920 /nfs/dbraw/zinc/24/19/20/298241920.db2.gz CNOGRCBMQAZBRF-AWEZNQCLSA-N 1 0 301.431 1.165 10 0 DDAERO Cc1nn(C)c(C)c1CC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000026323206 406902998 /nfs/dbraw/zinc/90/29/98/406902998.db2.gz QZWPXSNBCMJRLE-QGZVFWFLSA-N 1 0 314.433 1.999 10 0 DDAERO CC(C)[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCC[N@@H+]1CC1CC1 ZINC000071775766 406842762 /nfs/dbraw/zinc/84/27/62/406842762.db2.gz QQUNDQACDZFZRZ-AWEZNQCLSA-N 1 0 307.438 1.221 10 0 DDAERO COCC[N@@H+](Cc1cccc(OC)c1)C[C@@H](O)COC(C)C ZINC000036100133 406975478 /nfs/dbraw/zinc/97/54/78/406975478.db2.gz QKXQVEBFIBZMLX-MRXNPFEDSA-N 1 0 311.422 1.930 10 0 DDAERO C[C@H]1C[C@@H]1NC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000076083924 406954213 /nfs/dbraw/zinc/95/42/13/406954213.db2.gz LZYUTSPVBBYMKT-WFASDCNBSA-N 1 0 318.421 1.186 10 0 DDAERO C[NH+](C)C[C@@H](NC(=O)NCCn1ccnc1)c1ccccc1 ZINC000043311582 407017546 /nfs/dbraw/zinc/01/75/46/407017546.db2.gz SSICIOUTHUTGAA-OAHLLOKOSA-N 1 0 301.394 1.485 10 0 DDAERO Cc1csc([C@@H]2CCC[N@@H+](CC(=O)N3CCN(C)CC3)C2)n1 ZINC000093169592 407194608 /nfs/dbraw/zinc/19/46/08/407194608.db2.gz MVTZMHHSQQSWIX-CQSZACIVSA-N 1 0 322.478 1.405 10 0 DDAERO [NH3+]CCCOC1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000094073338 407203638 /nfs/dbraw/zinc/20/36/38/407203638.db2.gz ZPCBRBTZKQFMCL-UHFFFAOYSA-N 1 0 304.316 1.830 10 0 DDAERO C[N@H+](CCn1ccnc1)C[C@H](c1cccs1)N1CCOCC1 ZINC000122660669 407307998 /nfs/dbraw/zinc/30/79/98/407307998.db2.gz BKRWXYIVPJUEAD-OAHLLOKOSA-N 1 0 320.462 1.950 10 0 DDAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000104190087 407349199 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CN(C[C@@H](O)C(F)(F)F)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000186158420 407589505 /nfs/dbraw/zinc/58/95/05/407589505.db2.gz KHWKIAVQIHKPQO-QWHCGFSZSA-N 1 0 318.339 1.541 10 0 DDAERO COc1ccc(OC)c(CCNC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170833506 407524467 /nfs/dbraw/zinc/52/44/67/407524467.db2.gz SISHJEOUWBWYIE-AWEZNQCLSA-N 1 0 321.421 1.592 10 0 DDAERO CN(CCCNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000170863127 407536036 /nfs/dbraw/zinc/53/60/36/407536036.db2.gz UWOHUAXCADUJBR-MRXNPFEDSA-N 1 0 304.438 1.858 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccn(-c3ccc(F)cc3)n2)C1 ZINC000170866563 407539495 /nfs/dbraw/zinc/53/94/95/407539495.db2.gz RKCOZUXKSMLYJK-AWEZNQCLSA-N 1 0 302.353 1.788 10 0 DDAERO CN(CC(=O)Nc1cccc(Cl)c1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000152024835 407546269 /nfs/dbraw/zinc/54/62/69/407546269.db2.gz ZJYJFSZUTNGZFG-ZYHUDNBSSA-N 1 0 309.797 1.864 10 0 DDAERO CC[N@H+](CC(=O)N1CCCN(c2ccc(C)nn2)CC1)C1CC1 ZINC000152265674 407597210 /nfs/dbraw/zinc/59/72/10/407597210.db2.gz 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/nfs/dbraw/zinc/64/08/80/407640880.db2.gz MDKWFAGLOYUEDB-UHFFFAOYSA-N 1 0 307.375 1.751 10 0 DDAERO C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1CCOc2ccccc21 ZINC000178917916 407655254 /nfs/dbraw/zinc/65/52/54/407655254.db2.gz JFGOELQKDUYRBY-CJNGLKHVSA-N 1 0 307.394 1.122 10 0 DDAERO COc1ccccc1CCN(C)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261929377 407674955 /nfs/dbraw/zinc/67/49/55/407674955.db2.gz ZQHTXSLCVIBWDL-INIZCTEOSA-N 1 0 306.406 1.450 10 0 DDAERO COCC[N@@H+]1CCN(Cc2cnc3c(c2)c(C)nn3C)C[C@H]1C ZINC000171570270 407708313 /nfs/dbraw/zinc/70/83/13/407708313.db2.gz FWHVBCOBZMPSCF-CYBMUJFWSA-N 1 0 317.437 1.429 10 0 DDAERO CN(C)c1ncccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000262006994 407709101 /nfs/dbraw/zinc/70/91/01/407709101.db2.gz VEOAXDZOZOZERZ-OAGGEKHMSA-N 1 0 304.438 1.394 10 0 DDAERO c1cn2cc(CN[C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)nc2s1 ZINC000262013293 407710320 /nfs/dbraw/zinc/71/03/20/407710320.db2.gz VVGVLAQKYMTILM-MCIONIFRSA-N 1 0 306.435 1.643 10 0 DDAERO 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CCC[C@H](C(=O)N[C@@H]1CCN(c2ncccc2F)C1)[NH+](C)C ZINC000153626442 407863611 /nfs/dbraw/zinc/86/36/11/407863611.db2.gz YEDIDUQQJZSTEH-TZMCWYRMSA-N 1 0 308.401 1.646 10 0 DDAERO CCC[C@@H](C(=O)N[C@H]1CCN(c2ncccc2F)C1)[NH+](C)C ZINC000153626527 407864726 /nfs/dbraw/zinc/86/47/26/407864726.db2.gz YEDIDUQQJZSTEH-JSGCOSHPSA-N 1 0 308.401 1.646 10 0 DDAERO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000262730541 407910897 /nfs/dbraw/zinc/91/08/97/407910897.db2.gz BMEANIPSGXILJB-CHWSQXEVSA-N 1 0 301.381 1.174 10 0 DDAERO C[C@H](C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1)[NH+]1CCCCCC1 ZINC000245416304 407970503 /nfs/dbraw/zinc/97/05/03/407970503.db2.gz FAYNUZNFBLZYTD-OWCLPIDISA-N 1 0 311.470 1.164 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NC(=O)NC1CCCC1 ZINC000245413699 407972581 /nfs/dbraw/zinc/97/25/81/407972581.db2.gz BRUOWHJMNCRDCK-CABCVRRESA-N 1 0 322.453 1.313 10 0 DDAERO CCCN(CCC)C(=O)CCc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263157123 408040041 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CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(C(N)=O)o1 ZINC000174933219 408010154 /nfs/dbraw/zinc/01/01/54/408010154.db2.gz FWARDVYMBNODIS-NSHDSACASA-N 1 0 308.382 1.004 10 0 DDAERO CC(C)CC(=O)N[C@H](c1nc([C@@H]2C[NH2+]CCN2C)no1)C(C)C ZINC000263206465 408056543 /nfs/dbraw/zinc/05/65/43/408056543.db2.gz JSPVUJQKCRKENR-JSGCOSHPSA-N 1 0 323.441 1.505 10 0 DDAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1cc(F)ccc1Br ZINC000263212679 408059480 /nfs/dbraw/zinc/05/94/80/408059480.db2.gz KLOQQYQVALAFLR-CABZTGNLSA-N 1 0 303.175 1.258 10 0 DDAERO COc1ccc(CNC[C@@H]2C[NH2+]C[C@@H]2O)cc1Br ZINC000263222638 408064501 /nfs/dbraw/zinc/06/45/01/408064501.db2.gz MEYOKZJOGVZKNY-PWSUYJOCSA-N 1 0 315.211 1.128 10 0 DDAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cccc(-n3ccnc3)c2)n1 ZINC000263226329 408066009 /nfs/dbraw/zinc/06/60/09/408066009.db2.gz MWMFRQIVWJSEID-CQSZACIVSA-N 1 0 310.361 1.498 10 0 DDAERO CC(C)[N@H+]1C[C@H](NC(=O)[C@H](C)Oc2cccc(CO)c2)[C@@H](C)C1 ZINC000245795882 408070807 /nfs/dbraw/zinc/07/08/07/408070807.db2.gz 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Cc1nn(CCC(=O)N[C@@H]2C[NH+]3CCC2CC3)c2ccccc12 ZINC000222560177 697757952 /nfs/dbraw/zinc/75/79/52/697757952.db2.gz IPNREVJWSANBTJ-MRXNPFEDSA-N 1 0 312.417 1.945 10 0 DDAERO CCC[NH+]1CCN(C(=O)CCn2ncc3c2c(C)nn3C)CC1 ZINC000223862479 697763229 /nfs/dbraw/zinc/76/32/29/697763229.db2.gz QNXOIYZAOUKBIB-UHFFFAOYSA-N 1 0 318.425 1.023 10 0 DDAERO Cc1nc(NC[C@H]2CCCO2)c2c(n1)N[C@@H](C(C)C)C(=O)N2 ZINC000224030331 697763731 /nfs/dbraw/zinc/76/37/31/697763731.db2.gz PSSVDDFUYIPBDH-MNOVXSKESA-N 1 0 305.382 1.765 10 0 DDAERO CC[C@@H]1CN(C(=O)Cc2csc(C)n2)CC[N@@H+]1C[C@H](C)O ZINC000246793464 698355414 /nfs/dbraw/zinc/35/54/14/698355414.db2.gz JMYCOINAILYZMK-SMDDNHRTSA-N 1 0 311.451 1.298 10 0 DDAERO CCO[C@@H]1C[C@H]([N@H+](C)CN2CC(=O)N(CC)C2=O)C12CCCC2 ZINC000247027233 698359959 /nfs/dbraw/zinc/35/99/59/698359959.db2.gz PCOQTXRVGAOVNT-UONOGXRCSA-N 1 0 323.437 1.898 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2ncc(Cl)n2C)C[C@H]1C ZINC000247248348 698364023 /nfs/dbraw/zinc/36/40/23/698364023.db2.gz 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698462224 /nfs/dbraw/zinc/46/22/24/698462224.db2.gz VYPREKUXBGJKMP-LLVKDONJSA-N 1 0 313.785 1.392 10 0 DDAERO O=C(NC[C@@H]1CCCN(c2ncc(Cl)cn2)C1)[C@H]1CCC[NH2+]1 ZINC000262335609 698464912 /nfs/dbraw/zinc/46/49/12/698464912.db2.gz SXCHQXJOEGBEBS-WCQYABFASA-N 1 0 323.828 1.215 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(Br)cnc2F)C1 ZINC000700901496 699224839 /nfs/dbraw/zinc/22/48/39/699224839.db2.gz GLQHBZQEODYAMD-SECBINFHSA-N 1 0 316.174 1.759 10 0 DDAERO O=S(=O)(c1ccc(NCC23CC(C2)C[NH2+]3)cc1)C(F)F ZINC000701923322 699227714 /nfs/dbraw/zinc/22/77/14/699227714.db2.gz IRYNDVMHJVHJBD-UHFFFAOYSA-N 1 0 302.346 1.847 10 0 DDAERO Cc1ncc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)n1C ZINC000702764134 699232298 /nfs/dbraw/zinc/23/22/98/699232298.db2.gz PDZNSEPYIQLYRI-TZMCWYRMSA-N 1 0 324.425 1.046 10 0 DDAERO CC(C)(C)OC(=O)N1C[C@@H](C[NH2+]Cc2cccc(O)c2)[C@H](O)C1 ZINC000702765038 699232363 /nfs/dbraw/zinc/23/23/63/699232363.db2.gz QOISFTLFHHQQDU-UKRRQHHQSA-N 1 0 322.405 1.710 10 0 DDAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)CN1C(=O)OC(C)(C)C ZINC000706738956 699244564 /nfs/dbraw/zinc/24/45/64/699244564.db2.gz PQQVSXYEPOVVPS-RQJABVFESA-N 1 0 314.426 1.514 10 0 DDAERO CC1(C)CN(c2ccc(I)cn2)C[C@H]1[NH3+] ZINC000707410006 699246548 /nfs/dbraw/zinc/24/65/48/699246548.db2.gz MJKHJQFCEPZJPI-SECBINFHSA-N 1 0 317.174 1.860 10 0 DDAERO O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCCC[C@@H]1c1nccs1 ZINC000710606424 699254653 /nfs/dbraw/zinc/25/46/53/699254653.db2.gz YWUNCIGZQDBGAW-VXGBXAGGSA-N 1 0 315.464 1.752 10 0 DDAERO CC(C)(C)OC(=O)NC1CC(C[NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000711455660 699258306 /nfs/dbraw/zinc/25/83/06/699258306.db2.gz JMSVXKHIADZWTB-CPCZMJQVSA-N 1 0 311.426 1.548 10 0 DDAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000716718399 699283981 /nfs/dbraw/zinc/28/39/81/699283981.db2.gz WFWVGCVRYPVAKB-YWPUVAFDSA-N 1 0 311.426 1.628 10 0 DDAERO NC(=O)C1CC([NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000716720598 699284019 /nfs/dbraw/zinc/28/40/19/699284019.db2.gz 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708299142 /nfs/dbraw/zinc/29/91/42/708299142.db2.gz FLWPBBLAUNUTLD-QWRGUYRKSA-N 1 0 315.295 1.902 10 0 DDAERO CCN1C(=O)C[C@@H](C[NH2+][C@H]2CCSC2)[C@@H]1c1nccn1C ZINC000886035031 708686169 /nfs/dbraw/zinc/68/61/69/708686169.db2.gz RSIUGTNHWHPIGF-SGMGOOAPSA-N 1 0 308.451 1.425 10 0 DDAERO Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]C/C=C\c2ccco2)cn1 ZINC000886052909 708689418 /nfs/dbraw/zinc/68/94/18/708689418.db2.gz ZVFDBEAXWXLPBU-SSMWTBERSA-N 1 0 300.362 1.636 10 0 DDAERO CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@@H]([NH+]3CCC3)C2)C1 ZINC000912916916 713123527 /nfs/dbraw/zinc/12/35/27/713123527.db2.gz SXJLZJSLYBNWSP-ZIAGYGMSSA-N 1 0 323.437 1.550 10 0 DDAERO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCO[C@H](c3noc(C)n3)C2)C1 ZINC000907257272 712525049 /nfs/dbraw/zinc/52/50/49/712525049.db2.gz ODGQVRLJBNKDJJ-KGLIPLIRSA-N 1 0 322.409 1.400 10 0 DDAERO O=C(CC[N@@H+]1CC[C@H](n2cc(C3CC3)nn2)C1)N1CCCCC1 ZINC000931117520 714006450 /nfs/dbraw/zinc/00/64/50/714006450.db2.gz KPECWIOWGSLQQT-HNNXBMFYSA-N 1 0 317.437 1.805 10 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PBZGGVJBSZNGBM-UHFFFAOYSA-N 1 0 319.218 1.944 10 0 DDAERO CCC[NH2+][C@H]1CCC2(C[C@H]1S(=O)(=O)CC(C)C)OCCO2 ZINC000081928972 192341549 /nfs/dbraw/zinc/34/15/49/192341549.db2.gz LVHDWQVYGVMILC-UONOGXRCSA-N 1 0 319.467 1.721 10 0 DDAERO [NH3+][C@@H]1CCCCC[C@@H]1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000081935382 192342448 /nfs/dbraw/zinc/34/24/48/192342448.db2.gz FKXKOTDNFLLTOC-DOMZBBRYSA-N 1 0 311.403 1.892 10 0 DDAERO COCCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000249308024 282143460 /nfs/dbraw/zinc/14/34/60/282143460.db2.gz DDDQOIDPTFVJOM-YQQAZPJKSA-N 1 0 320.433 1.990 10 0 DDAERO CCOC(=O)[C@@H]1CSCCN1C(=O)CC[C@@H](C)CC[NH3+] ZINC000079118298 185159264 /nfs/dbraw/zinc/15/92/64/185159264.db2.gz FRTDRJPKOHKPBO-NEPJUHHUSA-N 1 0 302.440 1.259 10 0 DDAERO CC(C)(C)[C@@H](CC[NH3+])CCC(=O)N1CCS(=O)(=O)CC1 ZINC000079290270 185163458 /nfs/dbraw/zinc/16/34/58/185163458.db2.gz LJXKOOXDFOFNIK-GFCCVEGCSA-N 1 0 304.456 1.035 10 0 DDAERO O=S(=O)(C[C@H]1CCC[NH2+]1)c1ccccc1Br ZINC000083252343 185221458 /nfs/dbraw/zinc/22/14/58/185221458.db2.gz KWEAMEXNXCJLKH-SECBINFHSA-N 1 0 304.209 1.975 10 0 DDAERO CCCCN(C(=O)[C@@H](C[NH3+])CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000087525069 185227721 /nfs/dbraw/zinc/22/77/21/185227721.db2.gz IENHGIYQYURCCO-CHWSQXEVSA-N 1 0 304.456 1.177 10 0 DDAERO [NH3+]C1CN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000087589821 185229108 /nfs/dbraw/zinc/22/91/08/185229108.db2.gz ZNHFKNUXBKIYMZ-UHFFFAOYSA-N 1 0 314.716 1.690 10 0 DDAERO Cc1csc(NC(=O)CSc2nnc(C)n2CC[NH3+])n1 ZINC000087714996 185231027 /nfs/dbraw/zinc/23/10/27/185231027.db2.gz GUAPWMKAWZLVME-UHFFFAOYSA-N 1 0 312.424 1.041 10 0 DDAERO CC[NH2+][C@H](CS(=O)(=O)CCC(=O)OC)c1ccccc1C ZINC000081974931 192347492 /nfs/dbraw/zinc/34/74/92/192347492.db2.gz QNGSFMIXOXQAOT-CQSZACIVSA-N 1 0 313.419 1.624 10 0 DDAERO C[C@H](NS(=O)(=O)[C@@H]1CC[NH2+]C1)C12CC3CC(CC(C3)C1)C2 ZINC000088056069 185238316 /nfs/dbraw/zinc/23/83/16/185238316.db2.gz YPHSNTUJIDWHPK-BQOUJGBCSA-N 1 0 312.479 1.873 10 0 DDAERO [NH3+]CCCS(=O)(=O)Cc1cc(Br)ccc1F ZINC000088067194 185238663 /nfs/dbraw/zinc/23/86/63/185238663.db2.gz YUROACOUIVPCJE-UHFFFAOYSA-N 1 0 310.188 1.852 10 0 DDAERO CCn1nc(C)c(Br)c1C[S@@](=O)C[C@@H](C)[NH3+] ZINC000088069881 185238684 /nfs/dbraw/zinc/23/86/84/185238684.db2.gz QOONKBXFPLTCMF-VGDKGRGNSA-N 1 0 308.245 1.570 10 0 DDAERO COC(=O)CCS(=O)(=O)Cc1cc([C@H](C)[NH3+])ccc1OC ZINC000081974494 192348151 /nfs/dbraw/zinc/34/81/51/192348151.db2.gz ZALTUYKGDGPQSP-JTQLQIEISA-N 1 0 315.391 1.193 10 0 DDAERO O=C(Nc1c(F)cc(Br)cc1F)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000088168594 185240788 /nfs/dbraw/zinc/24/07/88/185240788.db2.gz PPQLWBRUFYAUQJ-HZGVNTEJSA-N 1 0 321.121 1.389 10 0 DDAERO COCCS(=O)(=O)Nc1ccc(C[NH3+])c(C(F)(F)F)c1 ZINC000088191246 185241369 /nfs/dbraw/zinc/24/13/69/185241369.db2.gz WIADVZNKYPCOCY-UHFFFAOYSA-N 1 0 312.313 1.552 10 0 DDAERO CC1(C)C[C@H](NC(=O)NC[C@H](O)C[NH+]2CCCCC2)CCO1 ZINC000178798075 539232964 /nfs/dbraw/zinc/23/29/64/539232964.db2.gz GZCSXVUEVQVCMN-KGLIPLIRSA-N 1 0 313.442 1.090 10 0 DDAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC1CCC(CO)CC1 ZINC000181078936 539236828 /nfs/dbraw/zinc/23/68/28/539236828.db2.gz VQCYNPGVMWCVME-OFLPRAFFSA-N 1 0 304.434 1.827 10 0 DDAERO CCOCc1ccccc1CNC(=O)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183138373 539240972 /nfs/dbraw/zinc/24/09/72/539240972.db2.gz GSCMUVYSCHDDLV-PBHICJAKSA-N 1 0 320.433 1.996 10 0 DDAERO Cc1cncc(C(=O)N2CC[NH+](C(C)(C)C(N)=S)CC2)c1 ZINC000088449313 185251410 /nfs/dbraw/zinc/25/14/10/185251410.db2.gz JBSKVNBTSDFEBH-UHFFFAOYSA-N 1 0 306.435 1.213 10 0 DDAERO [NH2+]=C1N[C@@H](c2cc(Br)c3c(c2)OCCCO3)CO1 ZINC000088532404 185255034 /nfs/dbraw/zinc/25/50/34/185255034.db2.gz VYYYHEVLXWEVOG-SECBINFHSA-N 1 0 313.151 1.996 10 0 DDAERO COCCCNS(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000088542214 185256369 /nfs/dbraw/zinc/25/63/69/185256369.db2.gz QOCCTWDAYGMKFV-UHFFFAOYSA-N 1 0 304.412 1.483 10 0 DDAERO Cc1ccccc1S(=O)(=O)N1CCCN(CCC[NH3+])CC1 ZINC000088714807 185262753 /nfs/dbraw/zinc/26/27/53/185262753.db2.gz OUAWGFRSGMRTIG-UHFFFAOYSA-N 1 0 311.451 1.040 10 0 DDAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1sc2ncccc2c1N ZINC000088643478 185261159 /nfs/dbraw/zinc/26/11/59/185261159.db2.gz NPTSVOKUSLDBEF-JTQLQIEISA-N 1 0 304.419 1.902 10 0 DDAERO CC(C)(C)[NH2+]CCCc1nnc([C@@H]2CCS(=O)(=O)C2)s1 ZINC000088812935 185266357 /nfs/dbraw/zinc/26/63/57/185266357.db2.gz RCAMHUOTQFABFC-SNVBAGLBSA-N 1 0 317.480 1.761 10 0 DDAERO C[C@@]1(c2ccccc2)CN([C@H]2C=CS(=O)(=O)C2)CCC[NH2+]1 ZINC000088860305 185267407 /nfs/dbraw/zinc/26/74/07/185267407.db2.gz MLXWFGFIPCLMNZ-HOTGVXAUSA-N 1 0 306.431 1.508 10 0 DDAERO CC(C)C[C@@H]1CN([C@H]2C=CS(=O)(=O)C2)[C@H](C(C)C)C[NH2+]1 ZINC000088860259 185267501 /nfs/dbraw/zinc/26/75/01/185267501.db2.gz HCZBNKVAVJGANJ-ILXRZTDVSA-N 1 0 300.468 1.642 10 0 DDAERO CC[NH2+][C@@H]1CCC2(C[C@@H]1S(=O)(=O)C1CCCC1)OCCO2 ZINC000081988459 192351271 /nfs/dbraw/zinc/35/12/71/192351271.db2.gz OWQHUOCIPHNBRS-KGLIPLIRSA-N 1 0 317.451 1.618 10 0 DDAERO CCc1ccc([C@@H]([NH3+])C[S@@](=O)CCS(C)(=O)=O)cc1 ZINC000081992625 192352454 /nfs/dbraw/zinc/35/24/54/192352454.db2.gz NKFRTCJZKMMBHJ-SCLBCKFNSA-N 1 0 303.449 1.042 10 0 DDAERO CC[NH2+][C@@H](c1ccccc1)[C@@H](C)S(=O)(=O)CCC(=O)OC ZINC000082004470 192352849 /nfs/dbraw/zinc/35/28/49/192352849.db2.gz JOGMVYQRUQELLZ-IUODEOHRSA-N 1 0 313.419 1.704 10 0 DDAERO CCCN(Cc1cccc(S(=O)(=O)N(C)C)c1)C1C[NH2+]C1 ZINC000090293857 185289793 /nfs/dbraw/zinc/28/97/93/185289793.db2.gz ODRMQQUYYNBBIF-UHFFFAOYSA-N 1 0 311.451 1.121 10 0 DDAERO COc1ccc([C@@H](C)NS(=O)(=O)CC[NH2+]C(C)C)cc1 ZINC000090310734 185290472 /nfs/dbraw/zinc/29/04/72/185290472.db2.gz MFLZYVLDURFFDI-GFCCVEGCSA-N 1 0 300.424 1.674 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000090312891 185290674 /nfs/dbraw/zinc/29/06/74/185290674.db2.gz OMBPRMCGUGEMQU-FOGDFJRCSA-N 1 0 322.789 1.262 10 0 DDAERO C[C@@H](C[NH3+])CSCC(=O)NC(=O)c1ccccc1Cl ZINC000090350980 185292034 /nfs/dbraw/zinc/29/20/34/185292034.db2.gz GWGMTKZTBZQXGF-VIFPVBQESA-N 1 0 300.811 1.924 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cc(OC)c(OC)cc1Cl ZINC000090433316 185296381 /nfs/dbraw/zinc/29/63/81/185296381.db2.gz AGVDHDXJEMXYIH-GZMMTYOYSA-N 1 0 314.769 1.530 10 0 DDAERO COC(=O)c1cc(NC(=O)[C@@]2(C)COC[C@H]2[NH3+])ccc1Cl ZINC000090585397 185305187 /nfs/dbraw/zinc/30/51/87/185305187.db2.gz LSYBOWAVFKNJMR-RISCZKNCSA-N 1 0 312.753 1.429 10 0 DDAERO C[C@@]1(C(=O)Nc2ncccc2Br)COC[C@H]1[NH3+] ZINC000090606002 185306453 /nfs/dbraw/zinc/30/64/53/185306453.db2.gz YRRXKYCJCOTOLC-LDYMZIIASA-N 1 0 300.156 1.146 10 0 DDAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)N(CCOC)C(CC)CC ZINC000090541962 185301789 /nfs/dbraw/zinc/30/17/89/185301789.db2.gz UJVXFBMUCMPKPG-GJZGRUSLSA-N 1 0 300.443 1.665 10 0 DDAERO C[C@]1(C(=O)Nc2ccccc2OC(F)(F)F)COC[C@H]1[NH3+] ZINC000090580685 185304893 /nfs/dbraw/zinc/30/48/93/185304893.db2.gz PSBXFYHPWJPZAC-PWSUYJOCSA-N 1 0 304.268 1.888 10 0 DDAERO COCCNC(=O)N1CCCSC[C@@H]1C[NH+]1CCCCC1 ZINC000090701796 185310542 /nfs/dbraw/zinc/31/05/42/185310542.db2.gz VNYXISJBUVULBA-AWEZNQCLSA-N 1 0 315.483 1.636 10 0 DDAERO CC[C@@H]1CN(C(=O)/C=C\c2cnc(C)s2)CC[N@@H+]1C[C@H](C)O ZINC000255263022 282242338 /nfs/dbraw/zinc/24/23/38/282242338.db2.gz LJTSMGDHVVSTBU-KIZSPLDGSA-N 1 0 323.462 1.768 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(NC)nc1 ZINC000092672928 185333235 /nfs/dbraw/zinc/33/32/35/185333235.db2.gz KJOVGVBSNNLALW-LBPRGKRZSA-N 1 0 312.439 1.228 10 0 DDAERO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(F)c(CO)c1 ZINC000092678085 185333619 /nfs/dbraw/zinc/33/36/19/185333619.db2.gz ZKYMCJBHBZOECP-LBPRGKRZSA-N 1 0 316.398 1.033 10 0 DDAERO COc1cc([C@H](C)[NH2+]CC(C)(C)NS(C)(=O)=O)ccc1F ZINC000092825389 185344257 /nfs/dbraw/zinc/34/42/57/185344257.db2.gz SRHJCCZTSQPIGL-JTQLQIEISA-N 1 0 318.414 1.813 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(C(=O)/C=C\c2ccnc(Cl)c2)CC1 ZINC000255893557 282284231 /nfs/dbraw/zinc/28/42/31/282284231.db2.gz HCAMNXNMVCVZPM-VQTKUKTRSA-N 1 0 323.824 1.663 10 0 DDAERO CCN(C1(C[NH3+])CCCCCC1)S(=O)(=O)c1cn(C)cn1 ZINC000052095880 190683216 /nfs/dbraw/zinc/68/32/16/190683216.db2.gz BGVVCTHCOBPHNT-UHFFFAOYSA-N 1 0 314.455 1.482 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H](C)Cn1ccnc1C ZINC000157544947 290729399 /nfs/dbraw/zinc/72/93/99/290729399.db2.gz KBKYRUANOGJYTE-KGLIPLIRSA-N 1 0 309.458 1.857 10 0 DDAERO Cc1nc(C)c([C@@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)s1 ZINC000111360363 185587913 /nfs/dbraw/zinc/58/79/13/185587913.db2.gz GHZBZZBJAGCJOW-SNVBAGLBSA-N 1 0 317.480 1.835 10 0 DDAERO C[NH2+][C@H](C)[C@H]1CCCCN1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000111715095 185629820 /nfs/dbraw/zinc/62/98/20/185629820.db2.gz DTMDTEORARLTSS-MGPQQGTHSA-N 1 0 303.472 1.426 10 0 DDAERO CC(C)(C)[NH2+]C[C@H]1CCCN(S(=O)(=O)C2CCOCC2)C1 ZINC000111719849 185630832 /nfs/dbraw/zinc/63/08/32/185630832.db2.gz RLKPEUQMXLAKOJ-CYBMUJFWSA-N 1 0 318.483 1.595 10 0 DDAERO CS(=O)(=O)c1cnn([C@H](C[NH3+])c2ccc(Cl)s2)c1 ZINC000725253236 539569091 /nfs/dbraw/zinc/56/90/91/539569091.db2.gz SDFMMUKWDQVRRQ-MRVPVSSYSA-N 1 0 305.812 1.550 10 0 DDAERO CCNS(=O)(=O)c1ccccc1N1[C@H](C)CCC[C@@H]1C[NH3+] ZINC000070157336 190863985 /nfs/dbraw/zinc/86/39/85/190863985.db2.gz AHRNMMHIMPHDDZ-CHWSQXEVSA-N 1 0 311.451 1.691 10 0 DDAERO CC[NH2+][C@@](C)(CO)C[C@H](C)Oc1cccc(S(C)(=O)=O)c1 ZINC000070519638 190903480 /nfs/dbraw/zinc/90/34/80/190903480.db2.gz QZOANFMDHVQLGN-SWLSCSKDSA-N 1 0 315.435 1.608 10 0 DDAERO CC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(Br)s1 ZINC000083566403 192373567 /nfs/dbraw/zinc/37/35/67/192373567.db2.gz AWWVVPWHIYAYDO-LURJTMIESA-N 1 0 313.242 1.526 10 0 DDAERO Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1[NH2+]CCC[C@H]1C ZINC000071339121 190959608 /nfs/dbraw/zinc/95/96/08/190959608.db2.gz VGQYZDKERGUFPD-MFKMUULPSA-N 1 0 300.399 1.801 10 0 DDAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000155695452 186103439 /nfs/dbraw/zinc/10/34/39/186103439.db2.gz IYXFDUKGMOXQPW-BBWFWOEESA-N 1 0 304.434 1.827 10 0 DDAERO CC[N@H+](C)Cc1cccc(CNC(=O)N2CC(NC(C)=O)C2)c1 ZINC000189960685 186255875 /nfs/dbraw/zinc/25/58/75/186255875.db2.gz RTJUCISQTLZXPY-UHFFFAOYSA-N 1 0 318.421 1.168 10 0 DDAERO Cc1cccc2nc(CNC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cn21 ZINC000171908236 198005834 /nfs/dbraw/zinc/00/58/34/198005834.db2.gz JBWBSIGOHQJZLU-OAHLLOKOSA-N 1 0 313.405 1.632 10 0 DDAERO Cc1cc(C(F)(F)F)nc(CNC[C@]2(O)CCC[NH2+]C2)n1 ZINC000072417919 191155904 /nfs/dbraw/zinc/15/59/04/191155904.db2.gz SIQRUFILUWGBHJ-LBPRGKRZSA-N 1 0 304.316 1.008 10 0 DDAERO O=c1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)nc2sccn21 ZINC000172801064 198151279 /nfs/dbraw/zinc/15/12/79/198151279.db2.gz UPZSBMVCGZOHHF-CYBMUJFWSA-N 1 0 304.419 1.426 10 0 DDAERO CC[C@@H]1CN(C(=O)NCc2ccc(F)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000173273044 198204564 /nfs/dbraw/zinc/20/45/64/198204564.db2.gz FQCZHPNOJBERSK-CZUORRHYSA-N 1 0 323.412 1.812 10 0 DDAERO C[C@H]([NH3+])[C@H](c1cccc(Br)c1)n1cc(C(N)=O)cn1 ZINC000085199550 192482093 /nfs/dbraw/zinc/48/20/93/192482093.db2.gz CGUVZSAOIUWBNH-QPUJVOFHSA-N 1 0 323.194 1.681 10 0 DDAERO Cc1ccc(-n2nnnc2NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000174684031 198370504 /nfs/dbraw/zinc/37/05/04/198370504.db2.gz RIMQKDUPGQBRPK-OAHLLOKOSA-N 1 0 316.409 1.229 10 0 DDAERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ncc(I)cn1 ZINC000129534061 354083045 /nfs/dbraw/zinc/08/30/45/354083045.db2.gz QDQXNLRAILWKLV-IONNQARKSA-N 1 0 318.162 1.634 10 0 DDAERO Ic1cc(C2C[NH2+]C2)n(CC2CC2)n1 ZINC000146494567 354159669 /nfs/dbraw/zinc/15/96/69/354159669.db2.gz QNFSRIVOMSDFEG-UHFFFAOYSA-N 1 0 303.147 1.585 10 0 DDAERO CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000236791922 202011448 /nfs/dbraw/zinc/01/14/48/202011448.db2.gz WVEJHCCOKVXZQO-SOUVJXGZSA-N 1 0 309.454 1.515 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1NCCc2ccccc21 ZINC000245412715 354352701 /nfs/dbraw/zinc/35/27/01/354352701.db2.gz AWOJCUNHUKAACV-DOTOQJQBSA-N 1 0 301.434 1.816 10 0 DDAERO CCCCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262273868 354392037 /nfs/dbraw/zinc/39/20/37/354392037.db2.gz JBHBTQFPLDNUMH-ZNMIVQPWSA-N 1 0 309.454 1.659 10 0 DDAERO Cn1cc([C@H]2[C@H](C[NH2+]C[C@@H]3CC=CCC3)CC(=O)N2C)cn1 ZINC000328644384 354558223 /nfs/dbraw/zinc/55/82/23/354558223.db2.gz ZFZSGZNUEZTGQK-JKIFEVAISA-N 1 0 302.422 1.885 10 0 DDAERO CCCc1cc(N2CC[NH2+]CC2)nc(-n2nc(C)cc2C)n1 ZINC000073662878 191339120 /nfs/dbraw/zinc/33/91/20/191339120.db2.gz XTCIRIKLVIRWHF-UHFFFAOYSA-N 1 0 300.410 1.641 10 0 DDAERO C[C@@H](C[C@@](C)([NH3+])CO)Sc1ccc(S(C)(=O)=O)cc1 ZINC000085290242 192487456 /nfs/dbraw/zinc/48/74/56/192487456.db2.gz AMXCNRSGXJDMNG-GXFFZTMASA-N 1 0 303.449 1.671 10 0 DDAERO CCC[C@H]([NH3+])C(=O)N1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000236820509 202025916 /nfs/dbraw/zinc/02/59/16/202025916.db2.gz PYEDFUMGOHFLRX-INIZCTEOSA-N 1 0 317.433 1.336 10 0 DDAERO NS(=O)(=O)[C@@H]1CC[C@@H](c2ccccc2C(F)(F)F)[NH2+]C1 ZINC000080100915 192000380 /nfs/dbraw/zinc/00/03/80/192000380.db2.gz QUDIMBZVDIOUPK-KCJUWKMLSA-N 1 0 308.325 1.787 10 0 DDAERO CC[C@H](NS(=O)(=O)c1cc[nH+]c(NN)c1)c1nccs1 ZINC000080314520 192023799 /nfs/dbraw/zinc/02/37/99/192023799.db2.gz IVWMQWOATWXOBH-VIFPVBQESA-N 1 0 313.408 1.253 10 0 DDAERO CCC[NH2+][C@H](C)c1csc(N2CCS(=O)(=O)CC2)n1 ZINC000080804909 192192724 /nfs/dbraw/zinc/19/27/24/192192724.db2.gz VSDPCMNZEHBDQG-SNVBAGLBSA-N 1 0 303.453 1.439 10 0 DDAERO CCOC(=O)CC1([NH+]2CCCCCC2)CCS(=O)(=O)CC1 ZINC000080685916 192182547 /nfs/dbraw/zinc/18/25/47/192182547.db2.gz ROYBJJARJLAOBP-UHFFFAOYSA-N 1 0 317.451 1.763 10 0 DDAERO CC(C)n1cc(Br)cc1C(=O)NC[C@H]([NH3+])[C@@H](C)O ZINC000080696625 192182870 /nfs/dbraw/zinc/18/28/70/192182870.db2.gz XSNNVBWXNHHDMU-SCZZXKLOSA-N 1 0 318.215 1.269 10 0 DDAERO CNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000085361394 192495696 /nfs/dbraw/zinc/49/56/96/192495696.db2.gz XCPWZWWLNYYZPV-CHWSQXEVSA-N 1 0 311.407 1.051 10 0 DDAERO CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000081341668 192253751 /nfs/dbraw/zinc/25/37/51/192253751.db2.gz UXYPCYYZBQYMRD-ZDUSSCGKSA-N 1 0 313.442 1.842 10 0 DDAERO C[NH2+][C@@H]1CCC[C@H]1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000081541251 192285839 /nfs/dbraw/zinc/28/58/39/192285839.db2.gz OMSCRYYFMIVQTR-VHSXEESVSA-N 1 0 303.332 1.501 10 0 DDAERO CC(C)[NH2+]C[C@@H](C)CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000081538284 192286804 /nfs/dbraw/zinc/28/68/04/192286804.db2.gz FZUBRXXOQWIOLR-SNVBAGLBSA-N 1 0 305.348 1.747 10 0 DDAERO C[C@H](C(N)=S)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000081557575 192292022 /nfs/dbraw/zinc/29/20/22/192292022.db2.gz JODHVJXTCOFANM-OCCSQVGLSA-N 1 0 305.447 1.689 10 0 DDAERO CCC[NH2+]CCNC(=O)c1nn(C(C)C)c(=O)c2ccccc21 ZINC000236833657 202030718 /nfs/dbraw/zinc/03/07/18/202030718.db2.gz PRWUSRPOEYHNQA-UHFFFAOYSA-N 1 0 316.405 1.707 10 0 DDAERO CC[NH+](CC)CCCNS(=O)(=O)c1cnc(N)c(Cl)c1 ZINC000081680585 192312737 /nfs/dbraw/zinc/31/27/37/192312737.db2.gz GRXKKWPTMIIMQK-UHFFFAOYSA-N 1 0 320.846 1.327 10 0 DDAERO CCNc1ncc(S(=O)(=O)NCC[NH+](C)C)cc1Cl ZINC000081680122 192311942 /nfs/dbraw/zinc/31/19/42/192311942.db2.gz NTMJSKSXOUPWTD-UHFFFAOYSA-N 1 0 306.819 1.007 10 0 DDAERO CCOc1cccc(N2CCN(C(=O)[C@H]([NH3+])[C@@H](C)CC)CC2)n1 ZINC000236968650 202098662 /nfs/dbraw/zinc/09/86/62/202098662.db2.gz ZOMFYERFFHGQJX-XJKSGUPXSA-N 1 0 320.437 1.502 10 0 DDAERO CC[C@H]1C[NH2+][C@@H](CC(C)C)CN1C[C@@H]1CCS(=O)(=O)C1 ZINC000086261576 192557828 /nfs/dbraw/zinc/55/78/28/192557828.db2.gz WYHUSDCSGABEPV-KKUMJFAQSA-N 1 0 302.484 1.520 10 0 DDAERO CC[C@@H]1C[NH2+][C@@H](C2CCCCC2)CN1[C@@H]1CCS(=O)(=O)C1 ZINC000086181109 192551812 /nfs/dbraw/zinc/55/18/12/192551812.db2.gz DBUUULXNTMNRBX-BZUAXINKSA-N 1 0 314.495 1.806 10 0 DDAERO CC(C)[C@H]1C[NH2+][C@H](C2CC2)CN1C1CCS(=O)(=O)CC1 ZINC000086218899 192554879 /nfs/dbraw/zinc/55/48/79/192554879.db2.gz SGGVLECBOKGDMZ-LSDHHAIUSA-N 1 0 300.468 1.272 10 0 DDAERO CCc1nc2n(n1)CCC[C@@H]2NC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000237064470 202139888 /nfs/dbraw/zinc/13/98/88/202139888.db2.gz JUYQTTODESSYSJ-MCIONIFRSA-N 1 0 319.453 1.817 10 0 DDAERO [NH3+]C[C@H](SC[C@H](O)CO)c1ccc(Br)s1 ZINC000086659425 192588288 /nfs/dbraw/zinc/58/82/88/192588288.db2.gz WGJNGJUQSMDMMC-SVRRBLITSA-N 1 0 312.254 1.597 10 0 DDAERO C[NH2+]CCCn1cc(S(=O)(=O)N2CCCC[C@H]2C)cn1 ZINC000088907074 192652512 /nfs/dbraw/zinc/65/25/12/192652512.db2.gz ZIEUTSHQBJQHRZ-GFCCVEGCSA-N 1 0 300.428 1.056 10 0 DDAERO COc1ccc(C[NH2+]C(C)C)cc1S(=O)(=O)N(C)C1CC1 ZINC000088941329 192663580 /nfs/dbraw/zinc/66/35/80/192663580.db2.gz OUQXFNZRPCPPQT-UHFFFAOYSA-N 1 0 312.435 1.976 10 0 DDAERO CCC[NH2+]CC1CCN(S(=O)(=O)N(CC)CCC)CC1 ZINC000088944729 192665030 /nfs/dbraw/zinc/66/50/30/192665030.db2.gz RVZJBLJXCLKCEJ-UHFFFAOYSA-N 1 0 305.488 1.675 10 0 DDAERO CCC[C@H](C)N(C)S(=O)(=O)c1c(C)nn(CC[NH3+])c1C ZINC000088964410 192671964 /nfs/dbraw/zinc/67/19/64/192671964.db2.gz TUCOMZSIVLRKBI-JTQLQIEISA-N 1 0 302.444 1.268 10 0 DDAERO CCC[C@@H](C)N(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]CC ZINC000088964383 192672195 /nfs/dbraw/zinc/67/21/95/192672195.db2.gz BIQFHDUCJOYUDM-ZIAGYGMSSA-N 1 0 305.488 1.816 10 0 DDAERO CCC[C@@H](C)N(C)S(=O)(=O)c1cnn(CCC[NH2+]CC)c1 ZINC000088964159 192672522 /nfs/dbraw/zinc/67/25/22/192672522.db2.gz MLDBPBRGRKERJA-CYBMUJFWSA-N 1 0 316.471 1.692 10 0 DDAERO COc1cccc(CN(C)S(=O)(=O)[C@@H](C)C[NH2+]C2CC2)c1 ZINC000088988053 192684778 /nfs/dbraw/zinc/68/47/78/192684778.db2.gz VGHUQPVDCKTVFL-LBPRGKRZSA-N 1 0 312.435 1.597 10 0 DDAERO CCC[C@@H](C(=O)NCc1nc(-c2ccncc2)no1)[NH+](C)C ZINC000179352260 199019760 /nfs/dbraw/zinc/01/97/60/199019760.db2.gz PJKASSNVCHRIMR-LBPRGKRZSA-N 1 0 303.366 1.478 10 0 DDAERO COC(=O)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000180727532 199201916 /nfs/dbraw/zinc/20/19/16/199201916.db2.gz FDWXMVCOYMAWBV-DTWKUNHWSA-N 1 0 316.760 1.807 10 0 DDAERO C[C@@H](C[NH2+][C@H]1CC[C@@H](C)C[C@@H]1n1cncn1)N1CCOCC1 ZINC000333390159 295974667 /nfs/dbraw/zinc/97/46/67/295974667.db2.gz CKQCEAZIFACLSE-UGUYLWEFSA-N 1 0 307.442 1.318 10 0 DDAERO CC[NH2+]Cc1sccc1S(=O)(=O)N1CCCOCC1 ZINC000089027552 192707160 /nfs/dbraw/zinc/70/71/60/192707160.db2.gz NXOWMDNLKILKQB-UHFFFAOYSA-N 1 0 304.437 1.269 10 0 DDAERO C[NH2+]Cc1ccccc1S(=O)(=O)N(C)C[C@@H]1CCCOC1 ZINC000089037593 192711790 /nfs/dbraw/zinc/71/17/90/192711790.db2.gz MAOIZXITYMCNLJ-ZDUSSCGKSA-N 1 0 312.435 1.453 10 0 DDAERO CNS(=O)(=O)c1ccccc1N(C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089133535 192732563 /nfs/dbraw/zinc/73/25/63/192732563.db2.gz WHTUUFYKSFMNKU-CHWSQXEVSA-N 1 0 311.451 1.548 10 0 DDAERO CCC[NH2+][C@H](Cc1c(Cl)c(C)nn1C)[C@H]1COCCO1 ZINC000089252289 192751444 /nfs/dbraw/zinc/75/14/44/192751444.db2.gz MGVANWKTJOGQFB-DGCLKSJQSA-N 1 0 301.818 1.708 10 0 DDAERO CC[NH2+]C[C@@H](Cc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000089254449 192751557 /nfs/dbraw/zinc/75/15/57/192751557.db2.gz PGGKNRHHLGVMNU-VXGBXAGGSA-N 1 0 302.465 1.654 10 0 DDAERO CCn1nc(C)c(Cl)c1C[C@H](C[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000089300243 192762131 /nfs/dbraw/zinc/76/21/31/192762131.db2.gz GBFQDJCDKQEBMZ-WDEREUQCSA-N 1 0 319.858 1.417 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(CCc2ccccc2C(=O)OC)CC1 ZINC000187089097 200060306 /nfs/dbraw/zinc/06/03/06/200060306.db2.gz 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ZINC000091507348 193066728 /nfs/dbraw/zinc/06/67/28/193066728.db2.gz HBHFTXDZHZJUCW-JOYOIKCWSA-N 1 0 314.183 1.455 10 0 DDAERO C[C@@H]1CN(S(=O)(=O)c2ccc(OCCC[NH3+])cc2)C[C@H]1C ZINC000092113471 193161334 /nfs/dbraw/zinc/16/13/34/193161334.db2.gz SAPREEKADAHMKC-CHWSQXEVSA-N 1 0 312.435 1.691 10 0 DDAERO C[NH2+]Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)ccc1F ZINC000092113777 193161761 /nfs/dbraw/zinc/16/17/61/193161761.db2.gz RRHQLSCMGNXDGW-GHMZBOCLSA-N 1 0 300.399 1.822 10 0 DDAERO [NH3+][C@H]1C=C[C@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1 ZINC000092201792 193172963 /nfs/dbraw/zinc/17/29/63/193172963.db2.gz GTUWKKUBHXFTMV-STQMWFEESA-N 1 0 305.809 1.892 10 0 DDAERO C[NH+]1CCC(NC(=O)CSc2ccccc2)(C(N)=S)CC1 ZINC000092213397 193173527 /nfs/dbraw/zinc/17/35/27/193173527.db2.gz YYQDVKVAFJLBIF-UHFFFAOYSA-N 1 0 323.487 1.645 10 0 DDAERO C[C@@H](C(=O)Nc1ccc(C(N)=S)cc1)[N@H+](C)CC(C)(C)O ZINC000092966860 193189285 /nfs/dbraw/zinc/18/92/85/193189285.db2.gz TWJRFIROGHVGCN-JTQLQIEISA-N 1 0 309.435 1.351 10 0 DDAERO C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261721471 203101738 /nfs/dbraw/zinc/10/17/38/203101738.db2.gz CLDSEDVXLOYWJQ-PUPMMZHASA-N 1 0 310.369 1.260 10 0 DDAERO C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000262008226 203172857 /nfs/dbraw/zinc/17/28/57/203172857.db2.gz NXJBHEHNQONAAO-KLPNQHCWSA-N 1 0 324.446 1.450 10 0 DDAERO COCC[NH2+]C[C@H](c1ccccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000093105696 193204750 /nfs/dbraw/zinc/20/47/50/193204750.db2.gz GJLMNBRTHIYJRV-HOCLYGCPSA-N 1 0 311.447 1.749 10 0 DDAERO C[C@@H]1CN=C(N2CCN(C(=O)c3ccc(C[NH3+])cc3)CC2)S1 ZINC000262354047 203270428 /nfs/dbraw/zinc/27/04/28/203270428.db2.gz ZJWGENYCIQYZPP-GFCCVEGCSA-N 1 0 318.446 1.394 10 0 DDAERO O=C(NCC1(c2cccc(Cl)c2)CCCC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262409678 203287025 /nfs/dbraw/zinc/28/70/25/203287025.db2.gz PBEOUOSHIXFAPM-CABCVRRESA-N 1 0 322.836 1.991 10 0 DDAERO Cc1ncc(CN(C)C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)s1 ZINC000262390888 203281618 /nfs/dbraw/zinc/28/16/18/203281618.db2.gz XWYJNBRKFQDWEX-KGLIPLIRSA-N 1 0 319.434 1.147 10 0 DDAERO [NH3+][C@H]1CC[C@H](Nc2cc3[nH]c(=O)[nH]c3cc2Br)C1 ZINC000093207267 193216382 /nfs/dbraw/zinc/21/63/82/193216382.db2.gz MHPWSXKQQMIERC-BQBZGAKWSA-N 1 0 311.183 1.910 10 0 DDAERO CC[NH2+]Cc1[nH]nc(C)c1S(=O)(=O)N(CC)C[C@@H](C)CC ZINC000093265979 193222634 /nfs/dbraw/zinc/22/26/34/193222634.db2.gz VCSSIUBOOXLHGL-NSHDSACASA-N 1 0 316.471 1.884 10 0 DDAERO O=C(NCc1ccc(Oc2ccccc2)nc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262566913 203332945 /nfs/dbraw/zinc/33/29/45/203332945.db2.gz YDBXKOODIDRNAH-HIFRSBDPSA-N 1 0 313.357 1.213 10 0 DDAERO CCC[NH2+][C@H](CCCS(=O)(=O)CC)C(OCC)OCC ZINC000093307606 193227955 /nfs/dbraw/zinc/22/79/55/193227955.db2.gz FDROQMIJZIKJEQ-CYBMUJFWSA-N 1 0 309.472 1.969 10 0 DDAERO Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)CCCCCC[NH3+] ZINC000262672288 203376157 /nfs/dbraw/zinc/37/61/57/203376157.db2.gz OWOMLJGOGJRQQD-UHFFFAOYSA-N 1 0 319.409 1.165 10 0 DDAERO NS(=O)(=O)c1cccc(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093450929 193254159 /nfs/dbraw/zinc/25/41/59/193254159.db2.gz CKDKZBBCMHYMGU-SOUVJXGZSA-N 1 0 309.435 1.667 10 0 DDAERO C[C@@H](C[C@H]1CCC[NH2+]1)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000093464755 193256058 /nfs/dbraw/zinc/25/60/58/193256058.db2.gz SUEXTQGAMNEECN-VHSXEESVSA-N 1 0 317.842 1.930 10 0 DDAERO C[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)c1ccc(NC(N)=O)cc1 ZINC000093523208 193262750 /nfs/dbraw/zinc/26/27/50/193262750.db2.gz SWVRVOVCMPCLTN-JTQLQIEISA-N 1 0 313.423 1.651 10 0 DDAERO [NH3+][C@H]1CCC[C@H]1CCN1CCn2c(nnc2C(F)(F)F)C1 ZINC000093555760 193267165 /nfs/dbraw/zinc/26/71/65/193267165.db2.gz MBNBWLCLGXNVOB-UWVGGRQHSA-N 1 0 303.332 1.630 10 0 DDAERO CCC[C@@H]([NH3+])C(=O)NCc1ccnc(OC2CCOCC2)c1 ZINC000262713488 203390554 /nfs/dbraw/zinc/39/05/54/203390554.db2.gz SSHAQEIFXVFZIL-CQSZACIVSA-N 1 0 307.394 1.383 10 0 DDAERO CCOC(=O)[C@]1(NC)CCC[C@@H]1CC[N@H+](C)[C@@H](C)COC ZINC000093590296 193271181 /nfs/dbraw/zinc/27/11/81/193271181.db2.gz XNVIJPTVRJKULB-LZWOXQAQSA-N 1 0 300.443 1.665 10 0 DDAERO CC[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCSc1nnc(C)n1C ZINC000093630873 193277619 /nfs/dbraw/zinc/27/76/19/193277619.db2.gz NNGYGNFEAJMISG-RISCZKNCSA-N 1 0 311.455 1.239 10 0 DDAERO CC1CCC(C[NH3+])(OC[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093695767 193290540 /nfs/dbraw/zinc/29/05/40/193290540.db2.gz BXLUIYMVIOWEOX-SHARSMKWSA-N 1 0 318.483 1.582 10 0 DDAERO C[NH2+][C@H](C)[C@@H]1CCCCN1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093695736 193291095 /nfs/dbraw/zinc/29/10/95/193291095.db2.gz LXPLZIGBGRNJOJ-ILXRZTDVSA-N 1 0 317.499 1.120 10 0 DDAERO C[C@@H](CN1CCCCC1)[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696587 193291995 /nfs/dbraw/zinc/29/19/95/193291995.db2.gz APGDCJBJQHLTRB-LSDHHAIUSA-N 1 0 317.499 1.122 10 0 DDAERO C[NH+](C)C1([C@@H](O)C[C@@H]2CCCN(S(C)(=O)=O)C2)CCCC1 ZINC000093699746 193293139 /nfs/dbraw/zinc/29/31/39/193293139.db2.gz FQOXTSOKLZNFLP-KBPBESRZSA-N 1 0 318.483 1.283 10 0 DDAERO COc1cccc([C@@H]([NH3+])C[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000093699782 193293891 /nfs/dbraw/zinc/29/38/91/193293891.db2.gz PWUNYCLSIIHOQG-DOMZBBRYSA-N 1 0 312.435 1.757 10 0 DDAERO CC(C)(C)SC[C@H]([NH3+])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700465 193294002 /nfs/dbraw/zinc/29/40/02/193294002.db2.gz GHEVWWHFWOBIGI-NWDGAFQWSA-N 1 0 308.513 1.907 10 0 DDAERO CCOC(OCC)[C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)[NH2+]C ZINC000093700844 193294600 /nfs/dbraw/zinc/29/46/00/193294600.db2.gz YXPYQXCVBLWULZ-STQMWFEESA-N 1 0 322.471 1.035 10 0 DDAERO CC(C)[NH2+]CC[C@](C)(O)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702859 193295780 /nfs/dbraw/zinc/29/57/80/193295780.db2.gz PWRLLVJAWXKNFS-KGLIPLIRSA-N 1 0 306.472 1.187 10 0 DDAERO [NH3+][C@H]1COC[C@@H]1c1nc2cc(F)c(Br)cc2[nH]1 ZINC000093728733 193296203 /nfs/dbraw/zinc/29/62/03/193296203.db2.gz TZBDKBNLHNOGKE-XNCJUZBTSA-N 1 0 300.131 1.906 10 0 DDAERO Cc1nn([C@H]2CCC[C@@]([NH3+])(C(N)=O)C2)c(C)c1Br ZINC000093759777 193302009 /nfs/dbraw/zinc/30/20/09/193302009.db2.gz RJDAUYXLFGPGBM-CABZTGNLSA-N 1 0 315.215 1.560 10 0 DDAERO COC(=O)[C@]1([NH3+])CCC[C@H](Sc2nnc3ccccn32)C1 ZINC000093779480 193305928 /nfs/dbraw/zinc/30/59/28/193305928.db2.gz MZPVSKXOOVPHNX-HZMBPMFUSA-N 1 0 306.391 1.635 10 0 DDAERO C[NH2+][C@@]1(CO)CCC[C@@H](Oc2cccc(S(C)(=O)=O)c2)C1 ZINC000093785840 193307420 /nfs/dbraw/zinc/30/74/20/193307420.db2.gz UUJCFVWHZZSESS-HIFRSBDPSA-N 1 0 313.419 1.362 10 0 DDAERO [NH3+][C@H](Cc1cc(F)cc(Br)c1)[C@@H]1COCCO1 ZINC000094000193 193337752 /nfs/dbraw/zinc/33/77/52/193337752.db2.gz NTYIDYSBMPKHKH-NEPJUHHUSA-N 1 0 304.159 1.873 10 0 DDAERO CN(C1CCCCC1)S(=O)(=O)NC1C(C)(C)C([NH3+])C1(C)C ZINC000094006558 193338591 /nfs/dbraw/zinc/33/85/91/193338591.db2.gz YUHBBVJZWIQDOX-UHFFFAOYSA-N 1 0 317.499 1.847 10 0 DDAERO CCC[NH2+][C@]1(C(=O)[O-])CC[C@@H]([N@H+](CCOC)CC(C)C)C1 ZINC000093826706 193313010 /nfs/dbraw/zinc/31/30/10/193313010.db2.gz ICTQWPAECXEFIW-GDBMZVCRSA-N 1 0 300.443 1.966 10 0 DDAERO COC(=O)CC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000094009668 193338750 /nfs/dbraw/zinc/33/87/50/193338750.db2.gz PQAZQUXATWJVND-UHFFFAOYSA-N 1 0 300.399 1.786 10 0 DDAERO CC[NH2+][C@]1(C(N)=O)CC[C@H](Sc2nc(C)c(C)c(C)n2)C1 ZINC000093854137 193319763 /nfs/dbraw/zinc/31/97/63/193319763.db2.gz HOPJVKHJQDCUOQ-SWLSCSKDSA-N 1 0 308.451 1.880 10 0 DDAERO COC(=O)[C@@]1([NH3+])CC[C@@H](Sc2nnc(N(C)C)s2)C1 ZINC000093853721 193319926 /nfs/dbraw/zinc/31/99/26/193319926.db2.gz LAYWQKBXLIKQPO-RDDDGLTNSA-N 1 0 302.425 1.119 10 0 DDAERO C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)N(C)CCS(C)(=O)=O ZINC000094298262 193357627 /nfs/dbraw/zinc/35/76/27/193357627.db2.gz GOIRVKQAWNYLOZ-IUODEOHRSA-N 1 0 314.451 1.321 10 0 DDAERO CC[NH2+][C@H]1c2ccccc2CC[C@H]1N(C)CCS(C)(=O)=O ZINC000094298102 193357984 /nfs/dbraw/zinc/35/79/84/193357984.db2.gz SWFXXJANVZISIN-CVEARBPZSA-N 1 0 310.463 1.628 10 0 DDAERO CN(CCS(C)(=O)=O)C(=O)CC[C@@H](CC[NH3+])C(C)(C)C ZINC000094301392 193358683 /nfs/dbraw/zinc/35/86/83/193358683.db2.gz PTHPPNBTXBIAMM-LBPRGKRZSA-N 1 0 306.472 1.281 10 0 DDAERO CN(CCS(C)(=O)=O)CC1(C[NH2+]C(C)(C)C)CCCC1 ZINC000094300536 193358894 /nfs/dbraw/zinc/35/88/94/193358894.db2.gz ZKLJDAIMHCPAOG-UHFFFAOYSA-N 1 0 304.500 1.911 10 0 DDAERO NC(=O)c1ccc(C(F)(F)F)nc1N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000094337544 193361421 /nfs/dbraw/zinc/36/14/21/193361421.db2.gz KOVWGLMNECYGDH-VXNVDRBHSA-N 1 0 302.300 1.739 10 0 DDAERO Cc1cc(N)c(C)c(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000094358594 193364426 /nfs/dbraw/zinc/36/44/26/193364426.db2.gz BHDHBQGOTYMSTP-ZDUSSCGKSA-N 1 0 311.451 1.506 10 0 DDAERO Cc1cc(NC(=O)[C@H]2COC[C@@H]2[NH3+])ncc1Br ZINC000094063570 193342203 /nfs/dbraw/zinc/34/22/03/193342203.db2.gz GQMWQGYHWURGEQ-CBAPKCEASA-N 1 0 300.156 1.065 10 0 DDAERO CC[C@@H]1CN([C@@H]2CCC[C@H](S(C)(=O)=O)C2)[C@@H](CC)C[NH2+]1 ZINC000094638762 193388284 /nfs/dbraw/zinc/38/82/84/193388284.db2.gz LWYIGIFEQZEQPG-BARDWOONSA-N 1 0 302.484 1.805 10 0 DDAERO Cc1c(F)cc(N)cc1S(=O)(=O)NCCCC[NH+](C)C ZINC000094360401 193365904 /nfs/dbraw/zinc/36/59/04/193365904.db2.gz NEJHHDLMTOMBDE-UHFFFAOYSA-N 1 0 303.403 1.336 10 0 DDAERO CC(C)(C[NH2+][C@@H]1CCOC2(CCSCC2)C1)S(C)(=O)=O ZINC000094375088 193366721 /nfs/dbraw/zinc/36/67/21/193366721.db2.gz IHQGRUZXWBXLHA-GFCCVEGCSA-N 1 0 321.508 1.844 10 0 DDAERO CCC[NH2+]CCCS(=O)(=O)N1C[C@@H]2CCCCN2C[C@@H]1C ZINC000094445668 193371473 /nfs/dbraw/zinc/37/14/73/193371473.db2.gz OIQHLKSTNPGNGO-GJZGRUSLSA-N 1 0 317.499 1.265 10 0 DDAERO C[C@@H]1SCCC[C@]1(C[NH3+])N1CCN(c2ncccn2)CC1 ZINC000094478707 193372606 /nfs/dbraw/zinc/37/26/06/193372606.db2.gz NOPIFHRGZSXEFE-DZGCQCFKSA-N 1 0 307.467 1.212 10 0 DDAERO CCC[NH2+][C@@H](Cc1ncnn1CC(C)C)[C@H]1CSCCO1 ZINC000094504283 193374166 /nfs/dbraw/zinc/37/41/66/193374166.db2.gz DCKOXDIRANGKNV-UONOGXRCSA-N 1 0 312.483 1.977 10 0 DDAERO [NH3+][C@@H](Cc1ccccc1Br)[C@H]1CN2CCN1CC2 ZINC000094508562 193375509 /nfs/dbraw/zinc/37/55/09/193375509.db2.gz LLGFBFUXQALISE-UONOGXRCSA-N 1 0 310.239 1.319 10 0 DDAERO C[C@H]1CN(c2nc3ccc(Br)cn3n2)C[C@H](C)[NH2+]1 ZINC000094608250 193384713 /nfs/dbraw/zinc/38/47/13/193384713.db2.gz JYJLGQXXYGBDLY-IUCAKERBSA-N 1 0 310.199 1.678 10 0 DDAERO Cc1ccc([C@H](C)NS(=O)(=O)C[C@@H]2CCC[NH2+]2)cc1F ZINC000094962593 193409768 /nfs/dbraw/zinc/40/97/68/193409768.db2.gz IPOIRRKWJAREEB-AAEUAGOBSA-N 1 0 300.399 1.867 10 0 DDAERO CC1(C)CC[N@H+](C[C@@H](O)COc2ccccc2C(N)=S)C1 ZINC000094803258 193399504 /nfs/dbraw/zinc/39/95/04/193399504.db2.gz TTWODUTULHICFQ-GFCCVEGCSA-N 1 0 308.447 1.792 10 0 DDAERO C[C@]1(CNS(=O)(=O)c2cccc(F)c2C[NH3+])CCCO1 ZINC000094801024 193399577 /nfs/dbraw/zinc/39/95/77/193399577.db2.gz RHEDTSBCMCVUKG-CYBMUJFWSA-N 1 0 302.371 1.132 10 0 DDAERO CC[NH+](CC)CCNC(=S)NC(=O)c1ccc(OC)cc1 ZINC000013617565 181869133 /nfs/dbraw/zinc/86/91/33/181869133.db2.gz VMDGVZIOJGFXBS-UHFFFAOYSA-N 1 0 309.435 1.641 10 0 DDAERO CC[NH2+]Cc1c(Cl)cccc1N1CC(=O)NC(=O)[C@H]1CC ZINC000097320320 193707600 /nfs/dbraw/zinc/70/76/00/193707600.db2.gz LANDHBNEXLDBRT-GFCCVEGCSA-N 1 0 309.797 1.691 10 0 DDAERO O[C@H](COc1cc(Cl)cc(Cl)c1)CN1CC[NH2+]CC1 ZINC000019668838 182134837 /nfs/dbraw/zinc/13/48/37/182134837.db2.gz HKDSVZIXMUQYNY-LBPRGKRZSA-N 1 0 305.205 1.638 10 0 DDAERO COc1ccc(NS(=O)(=O)[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000019806953 182152761 /nfs/dbraw/zinc/15/27/61/182152761.db2.gz GUUFXOMBURXDEP-LLVKDONJSA-N 1 0 300.380 1.198 10 0 DDAERO CCOc1ccc(Cc2nnc3sc(CC[NH3+])nn23)cc1 ZINC000020391803 182213497 /nfs/dbraw/zinc/21/34/97/182213497.db2.gz OGUUJCLPUDKDGQ-UHFFFAOYSA-N 1 0 303.391 1.677 10 0 DDAERO CCC[C@H](C[NH3+])N1CCN(S(=O)(=O)C2CCCC2)CC1 ZINC000097834666 193762884 /nfs/dbraw/zinc/76/28/84/193762884.db2.gz NVKNEXCHOLGRAQ-CYBMUJFWSA-N 1 0 303.472 1.004 10 0 DDAERO CN1CCN([C@H](C[NH3+])c2cc(Br)ccc2F)CC1 ZINC000022163887 182312211 /nfs/dbraw/zinc/31/22/11/182312211.db2.gz RAXJYHUSCKRVAB-CYBMUJFWSA-N 1 0 316.218 1.835 10 0 DDAERO C[C@@](CO)(c1cccc(Br)c1)N1CCC[NH2+]CC1 ZINC000038117234 182992869 /nfs/dbraw/zinc/99/28/69/182992869.db2.gz UYPDAAJCUMHERY-CQSZACIVSA-N 1 0 313.239 1.952 10 0 DDAERO C[NH2+][C@H](CO)c1cc(Br)c2c(c1)OCCCO2 ZINC000038121350 182992913 /nfs/dbraw/zinc/99/29/13/182992913.db2.gz CRXDDCWJOQEREG-SNVBAGLBSA-N 1 0 302.168 1.863 10 0 DDAERO O=C(c1ccccc1Br)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000299742516 296260801 /nfs/dbraw/zinc/26/08/01/296260801.db2.gz JTFWLDLHEKAZDV-NEPJUHHUSA-N 1 0 311.179 1.262 10 0 DDAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccc(NC(C)=O)c(Cl)c2)C1 ZINC000040633020 183111719 /nfs/dbraw/zinc/11/17/19/183111719.db2.gz WSAXOKGJSPGEBQ-MFKMUULPSA-N 1 0 311.769 1.614 10 0 DDAERO Cn1ccnc1CC[NH2+][C@H]1CCS(=O)(=O)c2ccccc21 ZINC000040639152 183113397 /nfs/dbraw/zinc/11/33/97/183113397.db2.gz YYSQBBCEDZYVJD-ZDUSSCGKSA-N 1 0 305.403 1.471 10 0 DDAERO C[C@]12C[C@H](CC(C)(C)C1)N(S(=O)(=O)N1CC[NH2+]CC1)C2 ZINC000040860785 183143909 /nfs/dbraw/zinc/14/39/09/183143909.db2.gz SVOIYTJLPHGUKF-JSGCOSHPSA-N 1 0 301.456 1.037 10 0 DDAERO CCC[C@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000040856587 183143186 /nfs/dbraw/zinc/14/31/86/183143186.db2.gz ZUOPZNNNNHHSIV-ZDUSSCGKSA-N 1 0 311.407 1.193 10 0 DDAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(F)cc(F)c1 ZINC000040749919 183128536 /nfs/dbraw/zinc/12/85/36/183128536.db2.gz DHNQLNZLJNNNAY-YOGCLGLASA-N 1 0 302.346 1.608 10 0 DDAERO COc1ccc(C2(C(=O)NCCC[NH+](C)C)CC2)cc1OC ZINC000041509443 183195087 /nfs/dbraw/zinc/19/50/87/183195087.db2.gz DBKKYFBQMWFRJX-UHFFFAOYSA-N 1 0 306.406 1.803 10 0 DDAERO CC(C)[N@H+](C)CCCCNS(=O)(=O)c1ccc(NN)cc1 ZINC000041681771 183216753 /nfs/dbraw/zinc/21/67/53/183216753.db2.gz AULWLCIYNORYDQ-UHFFFAOYSA-N 1 0 314.455 1.371 10 0 DDAERO CCCN(CC[NH+](C)C)S(=O)(=O)c1cccc([C@H](C)O)c1 ZINC000041684818 183216919 /nfs/dbraw/zinc/21/69/19/183216919.db2.gz SQAOKFLYYOQUBN-ZDUSSCGKSA-N 1 0 314.451 1.702 10 0 DDAERO CCNC(=O)C[NH2+]CCOc1cccc(Br)c1 ZINC000042225259 183244941 /nfs/dbraw/zinc/24/49/41/183244941.db2.gz MJLHRYBODOUHSY-UHFFFAOYSA-N 1 0 301.184 1.554 10 0 DDAERO C[C@@H](Oc1c(Br)cccc1C[NH3+])C(=O)N(C)C ZINC000042411319 183264971 /nfs/dbraw/zinc/26/49/71/183264971.db2.gz PXPHRDSRFKVRPA-MRVPVSSYSA-N 1 0 301.184 1.763 10 0 DDAERO CN(Cc1ccccc1Br)C[C@H](O)C[NH2+]C1CC1 ZINC000042441069 183270111 /nfs/dbraw/zinc/27/01/11/183270111.db2.gz IMWWHCQDLXFWLA-CYBMUJFWSA-N 1 0 313.239 1.994 10 0 DDAERO CCN(C[C@H](C)C[NH3+])S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000042441955 183270949 /nfs/dbraw/zinc/27/09/49/183270949.db2.gz QBFKBQNEBSMPDH-LLVKDONJSA-N 1 0 313.423 1.250 10 0 DDAERO CCN(CC(=O)NC(C)C)c1nc2sccn2c1C[NH2+]C ZINC000042387946 183262547 /nfs/dbraw/zinc/26/25/47/183262547.db2.gz CYXFUVROXXHQCY-UHFFFAOYSA-N 1 0 309.439 1.466 10 0 DDAERO COCCN([C@@H](C[NH3+])c1ccc(F)cc1F)[C@@H](C)COC ZINC000042603311 183290743 /nfs/dbraw/zinc/29/07/43/183290743.db2.gz JAECHGXYGCTNEB-NHYWBVRUSA-N 1 0 302.365 1.948 10 0 DDAERO CN(C)C(=O)CN(C)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000043020482 183328566 /nfs/dbraw/zinc/32/85/66/183328566.db2.gz JTZLLMXHUHRUJE-GFCCVEGCSA-N 1 0 314.227 1.469 10 0 DDAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Cl)N1CCS(=O)(=O)CC1 ZINC000043051545 183332640 /nfs/dbraw/zinc/33/26/40/183332640.db2.gz LPZNNFQAQKSKLB-MFKMUULPSA-N 1 0 302.827 1.459 10 0 DDAERO [NH3+]Cc1cccc(S(=O)(=O)N(CC(F)(F)F)C2CC2)c1 ZINC000042768532 183307284 /nfs/dbraw/zinc/30/72/84/183307284.db2.gz UCRKEXUTCVRLNY-UHFFFAOYSA-N 1 0 308.325 1.861 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(CC)[C@@H](C)COC)cc1 ZINC000042782377 183309072 /nfs/dbraw/zinc/30/90/72/183309072.db2.gz KHOQYMMMONPARP-ZDUSSCGKSA-N 1 0 314.451 1.842 10 0 DDAERO CCN([C@@H](C)COC)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000042782371 183309148 /nfs/dbraw/zinc/30/91/48/183309148.db2.gz WGJHZHOHWNNVDY-JTQLQIEISA-N 1 0 306.453 1.295 10 0 DDAERO C[C@@H]([NH3+])[C@H](Oc1cccc(S(C)(=O)=O)c1)c1cccnc1 ZINC000043351301 183356583 /nfs/dbraw/zinc/35/65/83/183356583.db2.gz QBLKCRMMJQIEGU-ABAIWWIYSA-N 1 0 306.387 1.952 10 0 DDAERO CCOCc1cc(C[N@@H+]2C[C@H](OC)C[C@H]2CO)ccc1OC ZINC000284542079 218070290 /nfs/dbraw/zinc/07/02/90/218070290.db2.gz KSNXTWCIVJQTFB-JKSUJKDBSA-N 1 0 309.406 1.813 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc2c1OCC(=O)N2 ZINC000104832005 194045492 /nfs/dbraw/zinc/04/54/92/194045492.db2.gz DBRZHYQXPOAZHF-LLVKDONJSA-N 1 0 303.362 1.232 10 0 DDAERO O=C1c2ccccc2C(=O)N1CCC[N@H+]1CCC[C@H]1CCCO ZINC000104957285 194057019 /nfs/dbraw/zinc/05/70/19/194057019.db2.gz CHEGVKRXZJNMLG-AWEZNQCLSA-N 1 0 316.401 1.910 10 0 DDAERO CCCC(=O)N[C@@H]1CCCN(C(=O)NC[C@H](C)[N@H+](C)C2CC2)C1 ZINC000105264096 194089649 /nfs/dbraw/zinc/08/96/49/194089649.db2.gz CYQUQACJDOIVHJ-UONOGXRCSA-N 1 0 324.469 1.559 10 0 DDAERO Cc1ccncc1NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000105533139 194109660 /nfs/dbraw/zinc/10/96/60/194109660.db2.gz CLTNBSXNAASXII-ZDUSSCGKSA-N 1 0 306.410 1.421 10 0 DDAERO COc1ccccc1NC(=O)CN1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000105821904 194138385 /nfs/dbraw/zinc/13/83/85/194138385.db2.gz PBIXQPYFYYYMMJ-ZIAGYGMSSA-N 1 0 321.421 1.021 10 0 DDAERO CC[C@H](C)C(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105818279 194135834 /nfs/dbraw/zinc/13/58/34/194135834.db2.gz SBNVKXLNKZRPPL-HOTGVXAUSA-N 1 0 311.470 1.286 10 0 DDAERO 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317.437 1.390 10 0 DDAERO CN(CC(=O)OC(C)(C)C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915809 194168665 /nfs/dbraw/zinc/16/86/65/194168665.db2.gz OXHGFAQATQXNQL-UHFFFAOYSA-N 1 0 322.453 1.621 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(Cc2noc(-c3ccsc3)n2)C[C@@H]1C ZINC000105912257 194169213 /nfs/dbraw/zinc/16/92/13/194169213.db2.gz HXYKPCLSACHYHS-NWDGAFQWSA-N 1 0 322.434 1.685 10 0 DDAERO Cc1cccc(C)c1NC(=O)[C@H](C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105924782 194170613 /nfs/dbraw/zinc/17/06/13/194170613.db2.gz NAFMVXOAPGLROX-JKSUJKDBSA-N 1 0 319.449 1.893 10 0 DDAERO CN(Cc1cccc(Cl)c1)S(=O)(=O)N1CCC[NH2+]CC1 ZINC000048877652 183693617 /nfs/dbraw/zinc/69/36/17/183693617.db2.gz ZHSYYQHQOQOONW-UHFFFAOYSA-N 1 0 317.842 1.312 10 0 DDAERO O=S(=O)(C[C@H]1CCC[NH2+]1)Nc1ccc(Br)cc1 ZINC000049641667 183750448 /nfs/dbraw/zinc/75/04/48/183750448.db2.gz FJTBZQCXHRDJHA-LLVKDONJSA-N 1 0 319.224 1.943 10 0 DDAERO CN(Cc1ccc(Cl)s1)S(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000049645012 183751071 /nfs/dbraw/zinc/75/10/71/183751071.db2.gz 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CC(C)C[NH+]1CCN(C[C@H](O)COCc2ccccc2)CC1 ZINC000078778701 407045454 /nfs/dbraw/zinc/04/54/54/407045454.db2.gz XGZXDVHPDIYPOK-SFHVURJKSA-N 1 0 306.450 1.838 10 0 DDAERO O[C@@H](COCc1ccccc1)C[NH+]1CCC2(CC1)OCCO2 ZINC000077761653 407007475 /nfs/dbraw/zinc/00/74/75/407007475.db2.gz DZKLGVHNSZTBLF-MRXNPFEDSA-N 1 0 307.390 1.403 10 0 DDAERO CC(C)(C)OC(=O)N1CCC([NH2+]CC(=O)c2cnccn2)CC1 ZINC000095083531 407206054 /nfs/dbraw/zinc/20/60/54/407206054.db2.gz RXLNMXQGTUFCGF-UHFFFAOYSA-N 1 0 320.393 1.648 10 0 DDAERO O=[S@@](C[C@H]1CCC[NH2+]C1)c1cccc(Br)n1 ZINC000095092402 407206729 /nfs/dbraw/zinc/20/67/29/407206729.db2.gz VRGRXNNPECYDAL-XXFAHNHDSA-N 1 0 303.225 1.951 10 0 DDAERO CC[C@](C)(O)C[NH+]1CCN(Cc2cc(OC)ccc2OC)CC1 ZINC000123034656 407317649 /nfs/dbraw/zinc/31/76/49/407317649.db2.gz KVTNVPPZJGKTCM-SFHVURJKSA-N 1 0 322.449 1.982 10 0 DDAERO CCn1cc(CN2CCCN(C(=O)CCOC(C)C)CC2)cn1 ZINC000105830238 407355330 /nfs/dbraw/zinc/35/53/30/407355330.db2.gz QLBYPCMEYNKADS-UHFFFAOYSA-N 1 0 322.453 1.752 10 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/nfs/dbraw/zinc/69/77/32/407697732.db2.gz RGCAGSYGIRWXSP-CQSZACIVSA-N 1 0 312.458 1.178 10 0 DDAERO Fc1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261974354 407698533 /nfs/dbraw/zinc/69/85/33/407698533.db2.gz QXSHKKSGHMXVFI-NUEKZKHPSA-N 1 0 308.397 1.951 10 0 DDAERO C[NH2+]C[C@H]1CCCN1c1ccc2nnc(C(F)(F)F)n2n1 ZINC000234385776 407709498 /nfs/dbraw/zinc/70/94/98/407709498.db2.gz HKAZSARHQSEWAB-MRVPVSSYSA-N 1 0 300.288 1.331 10 0 DDAERO C[C@H]1CN(CC(=O)Nc2ccc(Br)cn2)C[C@@H]1[NH3+] ZINC000235651595 407720906 /nfs/dbraw/zinc/72/09/06/407720906.db2.gz RJNUZENSLAQPCS-WPRPVWTQSA-N 1 0 313.199 1.062 10 0 DDAERO [NH3+][C@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2)C1CCOCC1 ZINC000261899217 407661263 /nfs/dbraw/zinc/66/12/63/407661263.db2.gz WHZZABIIKGRGTF-HNNXBMFYSA-N 1 0 303.362 1.264 10 0 DDAERO C[C@H](NC(=O)C1(C[NH3+])CCOCC1)c1ccc2c(c1)OCO2 ZINC000262141690 407752237 /nfs/dbraw/zinc/75/22/37/407752237.db2.gz MMMYMYULAQJOKS-NSHDSACASA-N 1 0 306.362 1.348 10 0 DDAERO 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321.165 1.397 10 0 DDAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1c(F)ccc(Br)c1F ZINC000263122391 408031670 /nfs/dbraw/zinc/03/16/70/408031670.db2.gz BAFJFZPXUNMRHD-WRWORJQWSA-N 1 0 321.165 1.397 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1csc(NC(C)=O)n1 ZINC000175024426 408034085 /nfs/dbraw/zinc/03/40/85/408034085.db2.gz RBPWVDBPAMUAHQ-NWDGAFQWSA-N 1 0 322.434 1.800 10 0 DDAERO CN1CC[NH2+]C[C@@H]1c1noc(Cc2cccc3cccnc32)n1 ZINC000263134688 408034177 /nfs/dbraw/zinc/03/41/77/408034177.db2.gz BXYCNYMZIANBLO-CQSZACIVSA-N 1 0 309.373 1.785 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(=O)n2ccccc2n1 ZINC000175049836 408038841 /nfs/dbraw/zinc/03/88/41/408038841.db2.gz VPQSIRLWVKQOPW-JKSUJKDBSA-N 1 0 312.417 1.753 10 0 DDAERO CN1CC[NH2+]C[C@H]1c1noc([C@@H](c2ccccc2)n2cccn2)n1 ZINC000263159799 408042933 /nfs/dbraw/zinc/04/29/33/408042933.db2.gz DSMCOCSZFLKWGO-LSDHHAIUSA-N 1 0 324.388 1.480 10 0 DDAERO COc1ccc(Cc2nc([C@H]3C[NH2+]CCN3C)no2)cc1OC ZINC000263162365 408043138 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SPIMTNFNHOEQKD-IUCAKERBSA-N 1 0 314.315 1.707 10 0 DDAERO CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000177248603 276252021 /nfs/dbraw/zinc/25/20/21/276252021.db2.gz UAHADLVYCQVFEZ-HZPDHXFCSA-N 1 0 311.470 1.288 10 0 DDAERO CC[N@H+](CCNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)C1CC1 ZINC000246967580 276346138 /nfs/dbraw/zinc/34/61/38/276346138.db2.gz JDQLENQQKJXSRD-WMLDXEAASA-N 1 0 309.454 1.807 10 0 DDAERO C[NH2+]CCN(C)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000263229032 277023652 /nfs/dbraw/zinc/02/36/52/277023652.db2.gz HKSXZMFCMOILNE-ZBFHGGJFSA-N 1 0 303.406 1.274 10 0 DDAERO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246489655 278206247 /nfs/dbraw/zinc/20/62/47/278206247.db2.gz PHVMEZRKMHYUGX-IJEWVQPXSA-N 1 0 309.454 1.086 10 0 DDAERO C[C@@H]1[NH2+]CCN(C(=O)c2cc(Br)cn2C)[C@H]1C ZINC000262790958 279036654 /nfs/dbraw/zinc/03/66/54/279036654.db2.gz NEZAEQNRFPQONE-IUCAKERBSA-N 1 0 300.200 1.610 10 0 DDAERO CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCC[N@H+](CC)C1CC1 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JJBCKWJLVCUTEN-CQSZACIVSA-N 1 0 308.345 1.684 10 0 DDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCN1CCc2ccccc2C1=O ZINC000888102773 709214296 /nfs/dbraw/zinc/21/42/96/709214296.db2.gz LNXWSYJAANAZOB-DZGCQCFKSA-N 1 0 315.417 1.189 10 0 DDAERO CCC[N@@H+]1CCC[C@H](C(=O)N2CCO[C@@H](c3noc(C)n3)C2)C1 ZINC000907257273 712525180 /nfs/dbraw/zinc/52/51/80/712525180.db2.gz ODGQVRLJBNKDJJ-UONOGXRCSA-N 1 0 322.409 1.400 10 0 DDAERO CC[C@H]1CN([C@H](C)c2nc(COC)no2)CC[N@@H+]1CCOC ZINC000248456054 282084861 /nfs/dbraw/zinc/08/48/61/282084861.db2.gz LHPSLGSDFLMKCM-OLZOCXBDSA-N 1 0 312.414 1.320 10 0 DDAERO CN1CC[C@H](N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)C1=O ZINC000248652350 282096106 /nfs/dbraw/zinc/09/61/06/282096106.db2.gz NUCUHJKFOPKJEU-HOTGVXAUSA-N 1 0 302.422 1.066 10 0 DDAERO Cc1nnc(SC[C@@H]([NH3+])c2ccc3c(c2)OCCO3)n1C ZINC000081886360 192334081 /nfs/dbraw/zinc/33/40/81/192334081.db2.gz XOGKWCHDQMRHQT-LLVKDONJSA-N 1 0 306.391 1.687 10 0 DDAERO CC[NH2+][C@H]1c2ccccc2OC[C@@H]1Sc1n[nH]c(=O)n1C ZINC000081880487 192334299 /nfs/dbraw/zinc/33/42/99/192334299.db2.gz PHGBVXZCDZEYBC-RYUDHWBXSA-N 1 0 306.391 1.312 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)C[C@](C)(O)c2ccccc2)CCO1 ZINC000182460563 282137379 /nfs/dbraw/zinc/13/73/79/282137379.db2.gz KRXAKWGUZDNUOS-RDJZCZTQSA-N 1 0 306.406 1.073 10 0 DDAERO CCC[NH2+][C@H]1CCOC[C@@H]1S(=O)(=O)c1cc(F)ccc1F ZINC000081946047 192345958 /nfs/dbraw/zinc/34/59/58/192345958.db2.gz JOIJJUGGNDPXEN-JSGCOSHPSA-N 1 0 319.373 1.896 10 0 DDAERO CCC[C@@H]1CC[C@@H]([NH2+]CC)[C@H](S(=O)(=O)CCC(=O)OC)C1 ZINC000081974604 192347431 /nfs/dbraw/zinc/34/74/31/192347431.db2.gz VEKNJBYKROTPJO-MGPQQGTHSA-N 1 0 319.467 1.911 10 0 DDAERO CCCOc1ccc(S(=O)(=O)N[C@H](C[NH3+])C(C)C)cc1 ZINC000087404550 185223852 /nfs/dbraw/zinc/22/38/52/185223852.db2.gz MSVYQLCANYSAMQ-CQSZACIVSA-N 1 0 300.424 1.737 10 0 DDAERO CC(C)[C@H](C[NH3+])NS(=O)(=O)c1ccc(Br)cc1 ZINC000087404792 185224005 /nfs/dbraw/zinc/22/40/05/185224005.db2.gz BCNFALNOVLYUGV-NSHDSACASA-N 1 0 321.240 1.711 10 0 DDAERO CCN(C(=O)CC1([NH2+]C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000087577162 185228992 /nfs/dbraw/zinc/22/89/92/185228992.db2.gz DWQQTRYBSNLSGR-CYBMUJFWSA-N 1 0 316.467 1.334 10 0 DDAERO NC(=O)COC[C@@H]([NH3+])c1cc(Cl)c(Br)s1 ZINC000087628122 185229594 /nfs/dbraw/zinc/22/95/94/185229594.db2.gz AFJWZIFMIPCATR-RXMQYKEDSA-N 1 0 313.604 1.666 10 0 DDAERO C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)C1 ZINC000151713017 539199280 /nfs/dbraw/zinc/19/92/80/539199280.db2.gz NZQICIUBTGSHGB-BFYDXBDKSA-N 1 0 309.454 1.665 10 0 DDAERO COC(=O)c1oc(CSc2nnc(C)n2CC[NH3+])cc1C ZINC000087715353 185230919 /nfs/dbraw/zinc/23/09/19/185230919.db2.gz ZZIVFWIECXELIM-UHFFFAOYSA-N 1 0 310.379 1.526 10 0 DDAERO NNc1nc(NC[C@@H]2CCCCO2)c(Br)c[nH+]1 ZINC000087867334 185233935 /nfs/dbraw/zinc/23/39/35/185233935.db2.gz YQXASGUOBQGROA-ZETCQYMHSA-N 1 0 302.176 1.506 10 0 DDAERO C[NH2+][C@@H]1c2ccccc2CC[C@H]1S(=O)(=O)CCC(=O)OC ZINC000081974585 192348248 /nfs/dbraw/zinc/34/82/48/192348248.db2.gz SZHYXOQRXFRFIM-UKRRQHHQSA-N 1 0 311.403 1.240 10 0 DDAERO CCN1CCO[C@@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000165249026 539225987 /nfs/dbraw/zinc/22/59/87/539225987.db2.gz LEEXVUVWXHXWJL-ZDUSSCGKSA-N 1 0 309.376 1.323 10 0 DDAERO CC[C@@H](C[NH3+])S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000088471836 185251871 /nfs/dbraw/zinc/25/18/71/185251871.db2.gz QWBNTHNMIIWJTG-AWEZNQCLSA-N 1 0 315.414 1.015 10 0 DDAERO Cc1cc(CS(=O)(=O)N2CC[NH2+]CC23CCCCC3)no1 ZINC000088396165 185248585 /nfs/dbraw/zinc/24/85/85/185248585.db2.gz MUWVOIOMDSMXEH-UHFFFAOYSA-N 1 0 313.423 1.421 10 0 DDAERO O=S(=O)(C[C@@H]1CCC[NH2+]C1)N1CCC(C(F)(F)F)CC1 ZINC000088433061 185249765 /nfs/dbraw/zinc/24/97/65/185249765.db2.gz NNPMJONUQHVUCG-SNVBAGLBSA-N 1 0 314.373 1.590 10 0 DDAERO CC[NH2+][C@](C)(C[C@H](C)N1CCC[C@H](C(F)(F)F)C1)C(N)=O ZINC000088435319 185250315 /nfs/dbraw/zinc/25/03/15/185250315.db2.gz DSUSTVKEDCHNKK-GMXVVIOVSA-N 1 0 309.376 1.893 10 0 DDAERO COc1cc(Br)c([C@H]2COC(=[NH2+])N2)cc1OC ZINC000088532388 185254815 /nfs/dbraw/zinc/25/48/15/185254815.db2.gz PCXRKRRKOUXPCH-MRVPVSSYSA-N 1 0 301.140 1.852 10 0 DDAERO CN(C)S(=O)(=O)c1ccc(CNCCC[NH+]2CCCC2)o1 ZINC000088539941 185255713 /nfs/dbraw/zinc/25/57/13/185255713.db2.gz GXJXJLRVKKLNLN-UHFFFAOYSA-N 1 0 315.439 1.105 10 0 DDAERO CC[C@@H]1CN(c2ncnc3onc(C)c32)CC[N@@H+]1C[C@@H](C)O ZINC000193394262 539261494 /nfs/dbraw/zinc/26/14/94/539261494.db2.gz GRRXQWCSPIDJTJ-ZYHUDNBSSA-N 1 0 305.382 1.208 10 0 DDAERO C[NH2+]CCCc1nnc(-c2ccc(S(C)(=O)=O)cc2)s1 ZINC000088811783 185266394 /nfs/dbraw/zinc/26/63/94/185266394.db2.gz YSYCRERVGVBIOV-UHFFFAOYSA-N 1 0 311.432 1.761 10 0 DDAERO CC(C)[C@H]1C[NH2+]C2(CCCCC2)CN1[C@H]1C=CS(=O)(=O)C1 ZINC000088860402 185267569 /nfs/dbraw/zinc/26/75/69/185267569.db2.gz ZBJJGUAYOLSGIO-LSDHHAIUSA-N 1 0 312.479 1.930 10 0 DDAERO CC[NH2+][C@@H](CS(=O)(=O)C(C)C)c1ccc2c(c1)OCCO2 ZINC000081980171 192349261 /nfs/dbraw/zinc/34/92/61/192349261.db2.gz GSYLELDQBQPSKE-ZDUSSCGKSA-N 1 0 313.419 1.932 10 0 DDAERO COCCN(CCC[NH+](C)C)S(=O)(=O)c1ccccc1C ZINC000088718575 185263297 /nfs/dbraw/zinc/26/32/97/185263297.db2.gz YUMQKVHZFYNLNN-UHFFFAOYSA-N 1 0 314.451 1.584 10 0 DDAERO CCOC(=O)CS(=O)(=O)[C@H]1C[C@H](C(C)C)CC[C@@H]1[NH2+]C ZINC000081977850 192349647 /nfs/dbraw/zinc/34/96/47/192349647.db2.gz PRTYPEAMVIRWES-AGIUHOORSA-N 1 0 305.440 1.377 10 0 DDAERO Cc1cccc(S(=O)(=O)[C@@H]2CC3(CC[C@@H]2[NH3+])OCCO3)c1 ZINC000081987048 192350185 /nfs/dbraw/zinc/35/01/85/192350185.db2.gz FXDFTEMESWRCEH-UONOGXRCSA-N 1 0 311.403 1.392 10 0 DDAERO CCN(C1C[NH2+]C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000090291365 185289563 /nfs/dbraw/zinc/28/95/63/185289563.db2.gz YYLHPCVGYRPYEG-UHFFFAOYSA-N 1 0 319.224 1.432 10 0 DDAERO COc1cc(Cl)ccc1C(=O)N1CCN(C2C[NH2+]C2)CC1 ZINC000090307026 185290148 /nfs/dbraw/zinc/29/01/48/185290148.db2.gz AZGGXBINMGZBJA-UHFFFAOYSA-N 1 0 309.797 1.078 10 0 DDAERO Brc1cc(CN2CCN(C3C[NH2+]C3)CC2)cs1 ZINC000090307589 185290303 /nfs/dbraw/zinc/29/03/03/185290303.db2.gz NDJWFQWJNHEASS-UHFFFAOYSA-N 1 0 316.268 1.600 10 0 DDAERO COc1ccc([C@@H](C)NS(=O)(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000090310720 185290557 /nfs/dbraw/zinc/29/05/57/185290557.db2.gz VQBPSESJZCCKKC-OLZOCXBDSA-N 1 0 312.435 1.675 10 0 DDAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000090312805 185290762 /nfs/dbraw/zinc/29/07/62/185290762.db2.gz RFOUDHGLLUYJOU-PJKMHFRUSA-N 1 0 310.828 1.185 10 0 DDAERO O=C(c1ccc(F)cc1Br)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090321370 185290978 /nfs/dbraw/zinc/29/09/78/185290978.db2.gz PXTMPBODZYFLGB-RKDXNWHRSA-N 1 0 313.170 1.880 10 0 DDAERO CCOc1ccc(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000090322207 185291006 /nfs/dbraw/zinc/29/10/06/185291006.db2.gz DAXDPEAACHAXKY-STQMWFEESA-N 1 0 310.419 1.234 10 0 DDAERO CCn1nc(C)c(Br)c1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090322634 185291158 /nfs/dbraw/zinc/29/11/58/185291158.db2.gz ZCJJZZLDZJEGSA-QWRGUYRKSA-N 1 0 313.243 1.625 10 0 DDAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1CC(=O)Nc1cccnc1Cl ZINC000090332863 185291640 /nfs/dbraw/zinc/29/16/40/185291640.db2.gz MCMCIRUCGKJPCL-NTZNESFSSA-N 1 0 308.813 1.603 10 0 DDAERO Cc1ccc(C)c(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2(C)C)c1 ZINC000090337093 185291937 /nfs/dbraw/zinc/29/19/37/185291937.db2.gz ZCQWFGKMPUDMDG-KGLIPLIRSA-N 1 0 308.447 1.922 10 0 DDAERO [NH3+][C@@H]1COC[C@H]1c1nc(-c2cccc(Br)c2)no1 ZINC000090364326 185292696 /nfs/dbraw/zinc/29/26/96/185292696.db2.gz HNXXGGLIKXVCQY-NXEZZACHSA-N 1 0 310.151 1.940 10 0 DDAERO [NH3+][C@@H]1COC[C@@H]1c1nc(-c2ccc(Br)cc2)no1 ZINC000090364359 185292701 /nfs/dbraw/zinc/29/27/01/185292701.db2.gz MDUKSILORAABML-VHSXEESVSA-N 1 0 310.151 1.940 10 0 DDAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000090489538 185298938 /nfs/dbraw/zinc/29/89/38/185298938.db2.gz YZSCWHQWUTYFII-WHOHXGKFSA-N 1 0 308.344 1.848 10 0 DDAERO [NH3+][C@H]1COC[C@H]1C(=O)Nc1cccc(Cl)c1-n1cccn1 ZINC000090381448 185293484 /nfs/dbraw/zinc/29/34/84/185293484.db2.gz JXORLWKLPLAEEB-KOLCDFICSA-N 1 0 306.753 1.438 10 0 DDAERO [NH3+][C@@H]1COC[C@@H]1C(=O)Nc1cc(Br)ccc1F ZINC000090379311 185293788 /nfs/dbraw/zinc/29/37/88/185293788.db2.gz JEAAICSTOIREQB-IONNQARKSA-N 1 0 303.131 1.500 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(Br)cc1F ZINC000090431568 185295823 /nfs/dbraw/zinc/29/58/23/185295823.db2.gz ZLZLEDJFZXCSNQ-GZMMTYOYSA-N 1 0 317.158 1.761 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000090431950 185295921 /nfs/dbraw/zinc/29/59/21/185295921.db2.gz UFLAUGDBVZHLFS-WDEREUQCSA-N 1 0 304.268 1.758 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000090434211 185296379 /nfs/dbraw/zinc/29/63/79/185296379.db2.gz FLZRUJDTLYACFF-WCBMZHEXSA-N 1 0 304.268 1.600 10 0 DDAERO CC[C@@H]([C@@H]([NH2+]C)c1ccccc1)S(=O)(=O)CCC(=O)OC ZINC000082004535 192353694 /nfs/dbraw/zinc/35/36/94/192353694.db2.gz RRTDETTUWUCCJZ-ZFWWWQNUSA-N 1 0 313.419 1.704 10 0 DDAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N1CCC(C(F)(F)F)CC1 ZINC000090546497 185302048 /nfs/dbraw/zinc/30/20/48/185302048.db2.gz BQVXONRJXAVFAR-NWDGAFQWSA-N 1 0 308.344 1.802 10 0 DDAERO Cc1noc(C)c1[C@@H](C)NS(=O)(=O)[C@H](C)C[NH2+]C1CC1 ZINC000092344005 185313304 /nfs/dbraw/zinc/31/33/04/185313304.db2.gz YJPDZJINNHBVMY-PSASIEDQSA-N 1 0 301.412 1.412 10 0 DDAERO CNc1cc[nH+]c(CN2C(=O)c3ccccc3S2(=O)=O)c1 ZINC000092419627 185317011 /nfs/dbraw/zinc/31/70/11/185317011.db2.gz XKXZAZISCWDIIJ-UHFFFAOYSA-N 1 0 303.343 1.468 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(F)c(N)c1 ZINC000092622631 185329888 /nfs/dbraw/zinc/32/98/88/185329888.db2.gz OQORTESRJUMQKI-NSHDSACASA-N 1 0 315.414 1.513 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccccc1CO ZINC000092678374 185333632 /nfs/dbraw/zinc/33/36/32/185333632.db2.gz JCPQCNXPLIJYBJ-CQSZACIVSA-N 1 0 312.435 1.284 10 0 DDAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)NC1C(C)(C)C1(C)C ZINC000092833311 185345027 /nfs/dbraw/zinc/34/50/27/185345027.db2.gz HLRWQDFPIWUOIB-LLVKDONJSA-N 1 0 303.472 1.329 10 0 DDAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](SCCS(C)(=O)=O)C2 ZINC000092860033 185346907 /nfs/dbraw/zinc/34/69/07/185346907.db2.gz JUKKRYRJPVDKJL-OLZOCXBDSA-N 1 0 301.433 1.398 10 0 DDAERO CC[NH2+][C@H]1c2cc(OC)ccc2C[C@H]1S(=O)(=O)CCOC ZINC000092859217 185346933 /nfs/dbraw/zinc/34/69/33/185346933.db2.gz QEKNNXFHOHTUGD-CABCVRRESA-N 1 0 313.419 1.332 10 0 DDAERO CCN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1cn(CC)cn1 ZINC000092910531 185348661 /nfs/dbraw/zinc/34/86/61/185348661.db2.gz VBEBVNDELJRPCU-FUNVUKJBSA-N 1 0 312.439 1.197 10 0 DDAERO COCCOc1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)ccn1 ZINC000181777967 199351271 /nfs/dbraw/zinc/35/12/71/199351271.db2.gz RYFVDGIOWDBNAU-HIFRSBDPSA-N 1 0 321.421 1.565 10 0 DDAERO CCNS(=O)(=O)c1ccc(N(CC[NH3+])C(CC)CC)cc1 ZINC000111378079 185590627 /nfs/dbraw/zinc/59/06/27/185590627.db2.gz BPVYQQJNIJTNMQ-UHFFFAOYSA-N 1 0 313.467 1.939 10 0 DDAERO COCC[NH2+]CC1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000111719208 185630786 /nfs/dbraw/zinc/63/07/86/185630786.db2.gz KAIYVKCSGYBMRI-UHFFFAOYSA-N 1 0 318.464 1.385 10 0 DDAERO [NH3+]CC[C@@H]1CCC[C@H](C(F)(F)F)N1S(=O)(=O)C1CC1 ZINC000675074051 539563013 /nfs/dbraw/zinc/56/30/13/539563013.db2.gz WTUWYMCJTOFKIF-WCBMZHEXSA-N 1 0 300.346 1.613 10 0 DDAERO C[NH2+]CC[C@@H]1CCCCN1S(=O)(=O)c1c(C)noc1C ZINC000070192623 190870414 /nfs/dbraw/zinc/87/04/14/190870414.db2.gz GAWGWCLPYMLRAG-LBPRGKRZSA-N 1 0 301.412 1.444 10 0 DDAERO COc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])CC[C@@H]2C)cc1F ZINC000070181160 190868451 /nfs/dbraw/zinc/86/84/51/190868451.db2.gz XFHNSZFCNHJHBL-WDEREUQCSA-N 1 0 316.398 1.582 10 0 DDAERO CC[NH2+][C@@](C)(CO)CCCN1CCN(CC(F)(F)F)CC1 ZINC000070337510 190881974 /nfs/dbraw/zinc/88/19/74/190881974.db2.gz UTKDJZVLPGOTML-CYBMUJFWSA-N 1 0 311.392 1.307 10 0 DDAERO C[NH2+][C@@H]1CCN(S(=O)(=O)C[C@@H]2CCCO2)c2ccccc21 ZINC000071325005 190958221 /nfs/dbraw/zinc/95/82/21/190958221.db2.gz ZZLZEXUPNLAUEI-GXTWGEPZSA-N 1 0 310.419 1.666 10 0 DDAERO CC[NH2+][C@@H](C[S@](=O)CCOC)c1cc(OC)ccc1OC ZINC000084035806 192396827 /nfs/dbraw/zinc/39/68/27/192396827.db2.gz DSMFIHBNOUSVDU-QKKBWIMNSA-N 1 0 315.435 1.750 10 0 DDAERO CC[NH2+][C@@H](C)CC[S@@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084056159 192397354 /nfs/dbraw/zinc/39/73/54/192397354.db2.gz RQEGSCGHINWPAG-VOJFVSQTSA-N 1 0 303.449 1.586 10 0 DDAERO CCC[NH2+][C@H](C)C[S@@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084056204 192397863 /nfs/dbraw/zinc/39/78/63/192397863.db2.gz YBWDJQKHXPEABD-ZMZPIMSZSA-N 1 0 303.449 1.586 10 0 DDAERO CC[NH2+]CCS(=O)(=O)Nc1ncccc1Br ZINC000083891821 192389151 /nfs/dbraw/zinc/38/91/51/192389151.db2.gz JRVOFQSTHLSKGQ-UHFFFAOYSA-N 1 0 308.201 1.195 10 0 DDAERO C[NH2+][C@H](C)c1cccc(S[C@H]2CS(=O)(=O)C[C@@H]2O)c1 ZINC000084124483 192404694 /nfs/dbraw/zinc/40/46/94/192404694.db2.gz WNSWWABGUPSHLR-ICCXJUOJSA-N 1 0 301.433 1.217 10 0 DDAERO COC(=O)CCN(CCC[NH+](C)C)C(=O)c1cccc(C)c1 ZINC000071607419 190993685 /nfs/dbraw/zinc/99/36/85/190993685.db2.gz WVWOCBKGJKWXCS-UHFFFAOYSA-N 1 0 306.406 1.952 10 0 DDAERO C[C@H](C[C@@](C)([NH3+])C(N)=O)Sc1ncccc1Br ZINC000084355588 192425587 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CDNKRUURXCCXFV-UONOGXRCSA-N 1 0 302.426 1.981 10 0 DDAERO CC[C@@H](COC)NS(=O)(=O)c1ccc([C@@H](C)[NH2+]C)cc1 ZINC000079769089 191970152 /nfs/dbraw/zinc/97/01/52/191970152.db2.gz LQTSWRVUKVWWHL-YPMHNXCESA-N 1 0 300.424 1.670 10 0 DDAERO CN(Cc1cccc(C(N)=[NH2+])c1)S(=O)(=O)N1CCCCC1 ZINC000079800206 191974214 /nfs/dbraw/zinc/97/42/14/191974214.db2.gz SZDRJJYYWAXGBB-UHFFFAOYSA-N 1 0 310.423 1.133 10 0 DDAERO NC(=[NH2+])C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000079843396 191977680 /nfs/dbraw/zinc/97/76/80/191977680.db2.gz NBLYNIGXSXGIQN-UHFFFAOYSA-N 1 0 303.334 1.301 10 0 DDAERO CC(C)[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(N)=[NH2+] ZINC000079859216 191978474 /nfs/dbraw/zinc/97/84/74/191978474.db2.gz JUEJSELLBHBMOQ-JTQLQIEISA-N 1 0 323.340 1.944 10 0 DDAERO Cc1csc([C@H](C)NS(=O)(=O)C[C@@H]2CCCC[NH2+]2)n1 ZINC000080315480 192023316 /nfs/dbraw/zinc/02/33/16/192023316.db2.gz YIJVBMKFNOHGDI-QWRGUYRKSA-N 1 0 303.453 1.574 10 0 DDAERO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)c2ccco2)C1 ZINC000081333413 192252131 /nfs/dbraw/zinc/25/21/31/192252131.db2.gz WIBWREHSOGUKKC-KGLIPLIRSA-N 1 0 321.421 1.588 10 0 DDAERO [NH3+]Cc1ccc(Br)cc1N1CCn2cnnc2C1 ZINC000081537691 192285902 /nfs/dbraw/zinc/28/59/02/192285902.db2.gz FUDVAEQZUIHFFX-UHFFFAOYSA-N 1 0 308.183 1.520 10 0 DDAERO [NH3+]C1CCC(CN2CCn3c(nnc3C(F)(F)F)C2)CC1 ZINC000081525615 192283900 /nfs/dbraw/zinc/28/39/00/192283900.db2.gz ZRRDGCMECLFJFQ-UHFFFAOYSA-N 1 0 303.332 1.630 10 0 DDAERO CC(C)(C)[NH2+]Cc1nc(CN2CCn3cnnc3C2)cs1 ZINC000081542952 192287655 /nfs/dbraw/zinc/28/76/55/192287655.db2.gz FMNZMVMAAHIGIW-UHFFFAOYSA-N 1 0 306.439 1.639 10 0 DDAERO CC[C@]1(C)C[NH2+][C@](C)(C2CC2)CN1CCCS(C)(=O)=O ZINC000085515006 192514528 /nfs/dbraw/zinc/51/45/28/192514528.db2.gz SOXGODVZISVBTI-CABCVRRESA-N 1 0 302.484 1.664 10 0 DDAERO C[C@H]1CC[NH2+][C@@H](C2CCCCC2)CN1CCS(C)(=O)=O ZINC000085625710 192518433 /nfs/dbraw/zinc/51/84/33/192518433.db2.gz QVPLKRLTEZDOOE-DZGCQCFKSA-N 1 0 302.484 1.664 10 0 DDAERO [NH3+][C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000085971947 192542514 /nfs/dbraw/zinc/54/25/14/192542514.db2.gz LNLSFJDVFWAPCR-GDBMZVCRSA-N 1 0 308.447 1.971 10 0 DDAERO [NH3+][C@@H](Cc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000086025242 192545246 /nfs/dbraw/zinc/54/52/46/192545246.db2.gz PDTWUMVNPVNWNT-JQWIXIFHSA-N 1 0 318.236 1.754 10 0 DDAERO CCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000237004525 202118640 /nfs/dbraw/zinc/11/86/40/202118640.db2.gz QQHHIHLKSNJOFP-JKSUJKDBSA-N 1 0 317.433 1.464 10 0 DDAERO COc1ccccc1C(=O)N[C@@H](C(=O)NC[C@@H](C)C[NH3+])C(C)C ZINC000237100294 202153638 /nfs/dbraw/zinc/15/36/38/202153638.db2.gz BIGJCWUYRJLSBF-SWLSCSKDSA-N 1 0 321.421 1.161 10 0 DDAERO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000237109762 202155725 /nfs/dbraw/zinc/15/57/25/202155725.db2.gz AERNYVSGHHFTCW-JSGCOSHPSA-N 1 0 304.394 1.407 10 0 DDAERO CCCCN(C)S(=O)(=O)c1cc(C[NH3+])c(OC)c(OC)c1 ZINC000088915571 192656758 /nfs/dbraw/zinc/65/67/58/192656758.db2.gz CWDYUOHOSHYUJK-UHFFFAOYSA-N 1 0 316.423 1.583 10 0 DDAERO CCCN(CC)S(=O)(=O)c1n[nH]c(C)c1C[NH2+]C1CC1 ZINC000088944646 192664526 /nfs/dbraw/zinc/66/45/26/192664526.db2.gz ADVHCYCPWSAFPT-UHFFFAOYSA-N 1 0 300.428 1.391 10 0 DDAERO CCCN(C1CC1)S(=O)(=O)N1CCC(C[NH2+]CC)CC1 ZINC000088946386 192664562 /nfs/dbraw/zinc/66/45/62/192664562.db2.gz SZWUOFOQPWSKQI-UHFFFAOYSA-N 1 0 303.472 1.427 10 0 DDAERO CC[NH2+]CCn1cc(S(=O)(=O)N(CC)[C@H](C)CC)cn1 ZINC000088951407 192665697 /nfs/dbraw/zinc/66/56/97/192665697.db2.gz UAIMUHBYVPFLCT-GFCCVEGCSA-N 1 0 302.444 1.302 10 0 DDAERO CC(C)C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1nc(-c2nc[nH]n2)no1 ZINC000179808002 199083767 /nfs/dbraw/zinc/08/37/67/199083767.db2.gz VNOKRKKWIMDBEN-MXWKQRLJSA-N 1 0 306.370 1.709 10 0 DDAERO C[NH2+]CCN(C)C(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 ZINC000237321356 202229466 /nfs/dbraw/zinc/22/94/66/202229466.db2.gz FGHXMWYGQGHGLV-DZGCQCFKSA-N 1 0 303.406 1.274 10 0 DDAERO COc1ccc([C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)cc1NC(C)=O ZINC000180494580 199167455 /nfs/dbraw/zinc/16/74/55/199167455.db2.gz OMOSTKNDSWYTKK-DOMZBBRYSA-N 1 0 321.421 1.635 10 0 DDAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1cccc(N2CCOC2=O)c1 ZINC000180500526 199168294 /nfs/dbraw/zinc/16/82/94/199168294.db2.gz WNMYUXPOGRCHMO-BBRMVZONSA-N 1 0 319.405 1.624 10 0 DDAERO CO[C@@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCOC1 ZINC000276636759 213015547 /nfs/dbraw/zinc/01/55/47/213015547.db2.gz VQHGBIAQNJHABM-AEFFLSMTSA-N 1 0 318.417 1.573 10 0 DDAERO C[NH2+]CCn1cc(S(=O)(=O)N(C)[C@H]2CCCC[C@@H]2C)cn1 ZINC000089006359 192694027 /nfs/dbraw/zinc/69/40/27/192694027.db2.gz MYYBKRDEMSOLAB-JSGCOSHPSA-N 1 0 314.455 1.302 10 0 DDAERO C[C@@H]1CN(c2ncc(I)cn2)C[C@H]1C[NH3+] ZINC000600961695 358358254 /nfs/dbraw/zinc/35/82/54/358358254.db2.gz UZFVHAFAZYGXIN-HTQZYQBOSA-N 1 0 318.162 1.112 10 0 DDAERO COc1cccc2[nH]cc(CC(=O)N3CC[C@H]([NH+](C)C)C3)c21 ZINC000181200290 199264766 /nfs/dbraw/zinc/26/47/66/199264766.db2.gz CRXAQASWUAFHJV-ZDUSSCGKSA-N 1 0 301.390 1.882 10 0 DDAERO CCC[NH2+]C[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CC2(C)C)C1 ZINC000089014162 192698058 /nfs/dbraw/zinc/69/80/58/192698058.db2.gz CEUGVEGLCYMOAN-QWHCGFSZSA-N 1 0 303.472 1.331 10 0 DDAERO CCC[NH2+]CC1CCN(S(=O)(=O)N(C)CC(C)(C)C)CC1 ZINC000089013562 192698858 /nfs/dbraw/zinc/69/88/58/192698858.db2.gz HKEDTNGMTPSSSU-UHFFFAOYSA-N 1 0 319.515 1.921 10 0 DDAERO CCCC1CCN(S(=O)(=O)N2CCC[C@@H](C[NH2+]C)C2)CC1 ZINC000089022844 192703144 /nfs/dbraw/zinc/70/31/44/192703144.db2.gz LRQHRKFJXVTBJI-HNNXBMFYSA-N 1 0 317.499 1.675 10 0 DDAERO C[C@@H]1CCCN(S(=O)(=O)N(C)CCC[NH2+]C2CC2)CC1 ZINC000089036749 192712650 /nfs/dbraw/zinc/71/26/50/192712650.db2.gz BKOUYFRYCXKJDC-CYBMUJFWSA-N 1 0 303.472 1.427 10 0 DDAERO CC[NH2+]CCCn1cc(S(=O)(=O)N(C)C(C)(C)CC)cn1 ZINC000089039245 192714287 /nfs/dbraw/zinc/71/42/87/192714287.db2.gz JPTHTWXTBPEHIZ-UHFFFAOYSA-N 1 0 316.471 1.692 10 0 DDAERO Cc1ccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1NS(C)(=O)=O ZINC000237636609 202312141 /nfs/dbraw/zinc/31/21/41/202312141.db2.gz FTGOTFLFTGTLDA-MNOVXSKESA-N 1 0 311.407 1.432 10 0 DDAERO O=C(NCCOc1ccc(C(F)(F)F)cn1)C1CC[NH2+]CC1 ZINC000237843652 202369111 /nfs/dbraw/zinc/36/91/11/202369111.db2.gz FVFGEAYBDOUKLA-UHFFFAOYSA-N 1 0 317.311 1.595 10 0 DDAERO CO[C@H](CNC(=O)c1csc(CC[NH3+])n1)c1ccc(F)cc1 ZINC000194821826 201294865 /nfs/dbraw/zinc/29/48/65/201294865.db2.gz DSLQEXWPJFDNKH-CYBMUJFWSA-N 1 0 323.393 1.901 10 0 DDAERO Cc1nnc(CN2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)o1 ZINC000195301546 201374873 /nfs/dbraw/zinc/37/48/73/201374873.db2.gz HDTFGOKDYURXIZ-OAHLLOKOSA-N 1 0 301.394 1.727 10 0 DDAERO CSC1(C[NH3+])CCN(c2nc(C)cc(C)c2C(N)=O)CC1 ZINC000091470769 193060626 /nfs/dbraw/zinc/06/06/26/193060626.db2.gz FXIUMKASMZARSH-UHFFFAOYSA-N 1 0 308.451 1.458 10 0 DDAERO CSC1(C[NH3+])CCN(c2nnnn2-c2ccccc2)CC1 ZINC000091473298 193061709 /nfs/dbraw/zinc/06/17/09/193061709.db2.gz FDGKDCXJWKSKSN-UHFFFAOYSA-N 1 0 304.423 1.323 10 0 DDAERO CSC1(C[NH3+])CCN(c2ccccc2S(C)(=O)=O)CC1 ZINC000091477432 193061886 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ZINC000043248187 183346999 /nfs/dbraw/zinc/34/69/99/183346999.db2.gz ASRFACMCUVENTN-UPJWGTAASA-N 1 0 316.492 1.954 10 0 DDAERO C[C@H]([NH3+])[C@@H](c1cc(Br)cs1)N(C)CC(N)=O ZINC000043285392 183350771 /nfs/dbraw/zinc/35/07/71/183350771.db2.gz LWGVETJZDGSKAB-WKEGUHRASA-N 1 0 306.229 1.316 10 0 DDAERO [NH3+]C[C@H](c1cc(Br)cs1)N(CCO)C1CC1 ZINC000043287378 183351657 /nfs/dbraw/zinc/35/16/57/183351657.db2.gz ZKEADNAZPJJTCE-SNVBAGLBSA-N 1 0 305.241 1.967 10 0 DDAERO CC[NH2+][C@@H](c1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000043300927 183352080 /nfs/dbraw/zinc/35/20/80/183352080.db2.gz PVPVEVGDPILJAF-XHDPSFHLSA-N 1 0 313.419 1.789 10 0 DDAERO CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043364510 183357222 /nfs/dbraw/zinc/35/72/22/183357222.db2.gz UOJDRDDVTNPUDA-MBNYWOFBSA-N 1 0 300.424 1.485 10 0 DDAERO CCOC(=O)[C@H](c1ccc(O)c(Cl)c1)N1CCC[NH2+]CC1 ZINC000043489446 183366814 /nfs/dbraw/zinc/36/68/14/183366814.db2.gz RCHLPJYFJHMNHF-AWEZNQCLSA-N 1 0 312.797 1.945 10 0 DDAERO O=C([C@@H]1C[NH2+]CCO1)N(Cc1ccccc1)CC(F)(F)F ZINC000043709853 183383069 /nfs/dbraw/zinc/38/30/69/183383069.db2.gz ZHJIFAFMUGYHHA-LBPRGKRZSA-N 1 0 302.296 1.566 10 0 DDAERO O=C(NCCCOCC(F)(F)F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105128757 194077487 /nfs/dbraw/zinc/07/74/87/194077487.db2.gz UMMHQGKTUHEHAI-GFCCVEGCSA-N 1 0 323.359 1.835 10 0 DDAERO CC[C@H]1CN(CC(=O)NCCC(C)(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000105827477 194138812 /nfs/dbraw/zinc/13/88/12/194138812.db2.gz IGURRSQUWQELKQ-CABCVRRESA-N 1 0 313.486 1.316 10 0 DDAERO CC[C@H]1CN(CCC(=O)NC2CCCC2)CC[N@@H+]1CCOC ZINC000105837240 194143831 /nfs/dbraw/zinc/14/38/31/194143831.db2.gz XRDIZEUSFPWMCA-INIZCTEOSA-N 1 0 311.470 1.478 10 0 DDAERO Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000105871822 194151096 /nfs/dbraw/zinc/15/10/96/194151096.db2.gz CDMNZAUUKWUKIC-ZFWWWQNUSA-N 1 0 313.405 1.196 10 0 DDAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)NC(C)(C)CC)CC2 ZINC000105873283 194152936 /nfs/dbraw/zinc/15/29/36/194152936.db2.gz UILMGURWBAOVRF-NEPJUHHUSA-N 1 0 307.442 1.438 10 0 DDAERO Cc1ccc(NC(=O)CN2CCO[C@H](C[NH+](C)C)C2)c(C)c1 ZINC000105925054 194170761 /nfs/dbraw/zinc/17/07/61/194170761.db2.gz OQZXIOPTRBMYFT-OAHLLOKOSA-N 1 0 305.422 1.504 10 0 DDAERO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000048983204 183700787 /nfs/dbraw/zinc/70/07/87/183700787.db2.gz INUFBRLJFAFUQN-SFYZADRCSA-N 1 0 301.749 1.974 10 0 DDAERO C[C@@H](C(N)=S)[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000109468599 194266615 /nfs/dbraw/zinc/26/66/15/194266615.db2.gz PPMFPTMKKUEOJH-LBPRGKRZSA-N 1 0 303.435 1.127 10 0 DDAERO CC(C)(C(N)=S)[NH+]1CCN(C(=O)Oc2ccccc2)CC1 ZINC000109466643 194267072 /nfs/dbraw/zinc/26/70/72/194267072.db2.gz VYPCSYJPSZOFKW-UHFFFAOYSA-N 1 0 307.419 1.868 10 0 DDAERO Brc1ccc(-c2nc(CN3CC[NH2+]CC3)no2)nc1 ZINC000109473485 194268122 /nfs/dbraw/zinc/26/81/22/194268122.db2.gz IFFQIEFCHKTZBQ-UHFFFAOYSA-N 1 0 324.182 1.299 10 0 DDAERO C[C@H]1Cc2ccccc2N(S(=O)(=O)N2CCC[NH2+]CC2)C1 ZINC000110375794 194326492 /nfs/dbraw/zinc/32/64/92/194326492.db2.gz LOIBNAIXTCCMKE-ZDUSSCGKSA-N 1 0 309.435 1.225 10 0 DDAERO COCCN[C@@H](C[NH3+])c1ccc(OC)c(Br)c1 ZINC000053255753 183896014 /nfs/dbraw/zinc/89/60/14/183896014.db2.gz UQFUIKWYUZILQG-NSHDSACASA-N 1 0 303.200 1.694 10 0 DDAERO CCCN(CCC)S(=O)(=O)N(CCC)[C@@H]1CCC[NH2+]C1 ZINC000110942510 194372567 /nfs/dbraw/zinc/37/25/67/194372567.db2.gz JSRPFFGASUTLKP-CQSZACIVSA-N 1 0 305.488 1.817 10 0 DDAERO CCCN(c1ccccc1S(=O)(=O)NC)[C@H]1CCC[NH2+]C1 ZINC000110947833 194373787 /nfs/dbraw/zinc/37/37/87/194373787.db2.gz JJXKWWSYOVYVFM-ZDUSSCGKSA-N 1 0 311.451 1.563 10 0 DDAERO CCCC[NH+]1CCN(c2nc(C(F)(F)F)cc(=O)[nH]2)CC1 ZINC000057342782 184034385 /nfs/dbraw/zinc/03/43/85/184034385.db2.gz BPXVDUMUUOZFRE-UHFFFAOYSA-N 1 0 304.316 1.711 10 0 DDAERO COCC[N@H+](C)CCNc1ncc(Br)cc1N ZINC000061377981 184169668 /nfs/dbraw/zinc/16/96/68/184169668.db2.gz VWROSICNPBMZIG-UHFFFAOYSA-N 1 0 303.204 1.416 10 0 DDAERO CC(C)C[C@@H](C[NH+](C)C)Nc1nc(Cl)nc(N(C)C)n1 ZINC000061539516 184173507 /nfs/dbraw/zinc/17/35/07/184173507.db2.gz LLDVDHHJYYDDJZ-JTQLQIEISA-N 1 0 300.838 1.979 10 0 DDAERO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1c(F)cc(N)cc1F ZINC000061642650 184180335 /nfs/dbraw/zinc/18/03/35/184180335.db2.gz MGLUIEIZCZKLNP-SNVBAGLBSA-N 1 0 319.377 1.262 10 0 DDAERO C[NH+](C)C[C@@H]1CCCN1c1ncc(Br)cc1CO ZINC000061652021 184181320 /nfs/dbraw/zinc/18/13/20/184181320.db2.gz ZPOJMHQTCKHKKG-LBPRGKRZSA-N 1 0 314.227 1.867 10 0 DDAERO CCOC(=O)[C@@H](CC[N@H+](CC)C[C@@H]1CCCO1)NC(C)C ZINC000062458631 184238041 /nfs/dbraw/zinc/23/80/41/184238041.db2.gz VOWPUUPJALARGP-LSDHHAIUSA-N 1 0 300.443 1.807 10 0 DDAERO C[C@H]([NH3+])c1ccc(S(=O)(=O)N2CCn3ccnc3C2)cc1 ZINC000062324776 184230419 /nfs/dbraw/zinc/23/04/19/184230419.db2.gz WGXNUCPAPJJGNK-NSHDSACASA-N 1 0 306.391 1.107 10 0 DDAERO CCNS(=O)(=O)NC[C@H](c1ccccc1C)[NH+]1CCCC1 ZINC000062370302 184232992 /nfs/dbraw/zinc/23/29/92/184232992.db2.gz MMCQKNWUXPMYGI-OAHLLOKOSA-N 1 0 311.451 1.576 10 0 DDAERO COCC[NH2+]Cc1cc(Br)ccc1OCCO ZINC000062730089 184250457 /nfs/dbraw/zinc/25/04/57/184250457.db2.gz LWUGVQYNWRFHSK-UHFFFAOYSA-N 1 0 304.184 1.556 10 0 DDAERO CC(C)C[NH2+]Cc1cc(Cl)ccc1OCC(=O)NC(N)=O ZINC000062730890 184251578 /nfs/dbraw/zinc/25/15/78/184251578.db2.gz HDRDRGUDDBOSCH-UHFFFAOYSA-N 1 0 313.785 1.659 10 0 DDAERO COCC[NH2+]Cc1c(-n2cnc(C)c2C)nc2sccn12 ZINC000062738907 184251887 /nfs/dbraw/zinc/25/18/87/184251887.db2.gz LGGZWVULGNPIIL-UHFFFAOYSA-N 1 0 305.407 1.934 10 0 DDAERO COc1ccc(C)cc1S(=O)(=O)N[C@@H]1CCCCC[C@H]1[NH3+] ZINC000063213304 184278424 /nfs/dbraw/zinc/27/84/24/184278424.db2.gz LMOLKNMJRADBMM-CHWSQXEVSA-N 1 0 312.435 1.942 10 0 DDAERO CC[C@@H]([NH3+])[C@H](c1cccs1)N1CC[C@H](N2CCOCC2)C1 ZINC000062977984 184264529 /nfs/dbraw/zinc/26/45/29/184264529.db2.gz PWAAPHFQUZRHKU-SQWLQELKSA-N 1 0 309.479 1.933 10 0 DDAERO CS(=O)(=O)CCCOc1cccc(N2CCC[NH2+]CC2)c1 ZINC000063017725 184267596 /nfs/dbraw/zinc/26/75/96/184267596.db2.gz NOYPMBIBYRWUJA-UHFFFAOYSA-N 1 0 312.435 1.300 10 0 DDAERO CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccnc(Cl)c1 ZINC000063052633 184268491 /nfs/dbraw/zinc/26/84/91/184268491.db2.gz KPLLWKXLJQKUFL-UHFFFAOYSA-N 1 0 303.815 1.451 10 0 DDAERO CN(CC[NH+]1CCCC1)c1nc2c(cc1C(N)=S)CCC2 ZINC000063053505 184268658 /nfs/dbraw/zinc/26/86/58/184268658.db2.gz MHJHTCQTLYXALH-UHFFFAOYSA-N 1 0 304.463 1.737 10 0 DDAERO C[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000063167855 184275637 /nfs/dbraw/zinc/27/56/37/184275637.db2.gz ANDBTEATADQOBR-CYBMUJFWSA-N 1 0 310.419 1.304 10 0 DDAERO COc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCC[C@H]1[NH3+] ZINC000063175068 184276203 /nfs/dbraw/zinc/27/62/03/184276203.db2.gz AUIQOBRNDAUCQX-ZJUUUORDSA-N 1 0 304.799 1.507 10 0 DDAERO Cc1nc(NC(=O)[C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)sc1C ZINC000112548539 194483734 /nfs/dbraw/zinc/48/37/34/194483734.db2.gz MOQNJCASNZSRHT-ZYHUDNBSSA-N 1 0 312.439 1.007 10 0 DDAERO CC[C@H](C)[NH2+]CC(=O)Nc1cccc(C(=O)NCCOC)c1 ZINC000066068171 184386649 /nfs/dbraw/zinc/38/66/49/184386649.db2.gz PDALTLDUBLJXDU-LBPRGKRZSA-N 1 0 307.394 1.389 10 0 DDAERO CCCOc1ccccc1C(=O)N1CCN(CCC[NH3+])CC1 ZINC000066142966 184392746 /nfs/dbraw/zinc/39/27/46/184392746.db2.gz NRTQBZCYMMUQMQ-UHFFFAOYSA-N 1 0 305.422 1.582 10 0 DDAERO CC(=O)N1CCc2cc(NC(=O)[C@@H]([NH3+])C3CCOCC3)ccc21 ZINC000261610344 207365431 /nfs/dbraw/zinc/36/54/31/207365431.db2.gz BDZANLRSXYYTTA-INIZCTEOSA-N 1 0 317.389 1.288 10 0 DDAERO Cc1cnn(CCNC(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000118055536 194865606 /nfs/dbraw/zinc/86/56/06/194865606.db2.gz YPYWJDSCBMDTKL-UHFFFAOYSA-N 1 0 307.442 1.613 10 0 DDAERO CC(C)[N@H+]1C[C@H](NC(=O)NCc2cccc3c2OCO3)[C@@H](C)C1 ZINC000157727592 197211200 /nfs/dbraw/zinc/21/12/00/197211200.db2.gz DGMWXRZZVZUAKF-JSGCOSHPSA-N 1 0 319.405 1.943 10 0 DDAERO COCOc1ccc(OC)cc1CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000156647722 197129972 /nfs/dbraw/zinc/12/99/72/197129972.db2.gz BCLMYQBFOOXCGI-INIZCTEOSA-N 1 0 324.421 1.440 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(Cl)c(F)c2)CCO1 ZINC000155424814 197053798 /nfs/dbraw/zinc/05/37/98/197053798.db2.gz UVUWGXIFGGTUDM-NSHDSACASA-N 1 0 300.761 1.882 10 0 DDAERO CC(=O)c1c(C)[nH]c(C(=O)CN2CCO[C@H](C[NH+](C)C)C2)c1C ZINC000155291417 197040146 /nfs/dbraw/zinc/04/01/46/197040146.db2.gz JJELJWJDQPMNRC-CQSZACIVSA-N 1 0 321.421 1.279 10 0 DDAERO COC[C@@H](C)NC(=O)NC(=O)C[NH2+][C@@H](C)c1ccccc1C ZINC000120490858 195177651 /nfs/dbraw/zinc/17/76/51/195177651.db2.gz QKFQFUBAODTFFR-OLZOCXBDSA-N 1 0 307.394 1.506 10 0 DDAERO COc1cc(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc(OC)c1 ZINC000120612696 195200655 /nfs/dbraw/zinc/20/06/55/195200655.db2.gz SGCHTEWAVPNOPK-ZIAGYGMSSA-N 1 0 308.422 1.591 10 0 DDAERO CCO[C@H](C)c1noc(CN2CCC[C@H](Cn3cncn3)C2)n1 ZINC000120769928 195234178 /nfs/dbraw/zinc/23/41/78/195234178.db2.gz VEEZUIUVSNVVHT-OLZOCXBDSA-N 1 0 320.397 1.671 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCNC(=O)C(C)(C)C ZINC000120869826 195254390 /nfs/dbraw/zinc/25/43/90/195254390.db2.gz CHCBDQBXWAONQI-LBPRGKRZSA-N 1 0 300.447 1.178 10 0 DDAERO Cc1cccc(CN2C[C@H]3C[N@@H+](Cc4cnn(C)c4)C[C@H]3C2=O)c1 ZINC000248081133 257109395 /nfs/dbraw/zinc/10/93/95/257109395.db2.gz AIVIWPHQNQLCNT-QZTJIDSGSA-N 1 0 324.428 1.819 10 0 DDAERO CC(C)[N@H+](C)C[C@@H]1OC[C@H]2CCN(C(=O)c3ccccn3)C[C@@H]12 ZINC000247980346 257113122 /nfs/dbraw/zinc/11/31/22/257113122.db2.gz JIGXEKOMMNTAAQ-INMHGKMJSA-N 1 0 317.433 1.899 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)Nc1cccc(Br)c1 ZINC000414666248 224370519 /nfs/dbraw/zinc/37/05/19/224370519.db2.gz GAZPNIQLXZITBK-KCJUWKMLSA-N 1 0 314.183 1.151 10 0 DDAERO Cc1ccc(C(N)=O)cc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000121594404 195312596 /nfs/dbraw/zinc/31/25/96/195312596.db2.gz KLJGLZMPDLMQTI-WFASDCNBSA-N 1 0 318.421 1.944 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)Nc2cnn(C)c2)C[C@@H]1CC ZINC000121826476 195356317 /nfs/dbraw/zinc/35/63/17/195356317.db2.gz TXKZYDGQJSQKSE-AWEZNQCLSA-N 1 0 309.414 1.385 10 0 DDAERO COc1ccc(CCC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000116784264 286299599 /nfs/dbraw/zinc/29/95/99/286299599.db2.gz QIVUFKLTTCAGMO-MRXNPFEDSA-N 1 0 306.406 1.417 10 0 DDAERO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCn2ccnc2C1 ZINC000261633899 407560101 /nfs/dbraw/zinc/56/01/01/407560101.db2.gz CGVUFFJESGFPOU-AWEZNQCLSA-N 1 0 309.373 1.277 10 0 DDAERO [NH3+][C@@H]1CC[C@H]2CN(CC(=O)NCc3ccc(Cl)cc3)C[C@H]12 ZINC000261639686 407563196 /nfs/dbraw/zinc/56/31/96/407563196.db2.gz IMWZWQWUTAPBHE-AEGPPILISA-N 1 0 307.825 1.625 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccc(NC(N)=O)c1 ZINC000068223192 406626008 /nfs/dbraw/zinc/62/60/08/406626008.db2.gz MLDARLJKMRAHNC-CQSZACIVSA-N 1 0 306.410 1.883 10 0 DDAERO COc1ccc2c3c1O[C@H]1[C@H](O)CC[C@H]4[C@@H](C2)[N@@H+](C)CC[C@]314 ZINC000001707685 406673975 /nfs/dbraw/zinc/67/39/75/406673975.db2.gz RBOXVHNMENFORY-KEMUOJQUSA-N 1 0 301.386 1.725 10 0 DDAERO COCc1cc(NC2CC[NH2+]CC2)nc(-c2cnccn2)n1 ZINC000070451754 406816399 /nfs/dbraw/zinc/81/63/99/406816399.db2.gz LNWVMFKOSWVYEW-UHFFFAOYSA-N 1 0 300.366 1.244 10 0 DDAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(F)c1 ZINC000054429342 407184961 /nfs/dbraw/zinc/18/49/61/407184961.db2.gz NBKTUHPGCQTUNL-CQSZACIVSA-N 1 0 307.369 1.707 10 0 DDAERO C[C@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)[C@H]1CCCO1 ZINC000054764647 407189307 /nfs/dbraw/zinc/18/93/07/407189307.db2.gz GWBDKHXASYTYMT-GOEBONIOSA-N 1 0 305.422 1.985 10 0 DDAERO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2cnc3ncccn23)C1 ZINC000097139220 407282481 /nfs/dbraw/zinc/28/24/81/407282481.db2.gz CEBLTKXPDGHCCF-CQSZACIVSA-N 1 0 310.405 1.918 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)Cc1ccc(Cl)nc1 ZINC000101571545 407312085 /nfs/dbraw/zinc/31/20/85/407312085.db2.gz RRRAPBFNZBTMKZ-NSHDSACASA-N 1 0 319.858 1.885 10 0 DDAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2ncnn2C1 ZINC000122887247 407313522 /nfs/dbraw/zinc/31/35/22/407313522.db2.gz OAYXTUNSSFFQJS-JHJVBQTASA-N 1 0 321.425 1.628 10 0 DDAERO CCCn1cc(CN2CCCN(C(=O)[C@@H]3C[C@@H]3C)CC2)cn1 ZINC000105831403 407355869 /nfs/dbraw/zinc/35/58/69/407355869.db2.gz MFFXTMXNDAQNNM-GOEBONIOSA-N 1 0 304.438 1.983 10 0 DDAERO C[N@H+](CC(=O)NC1CCCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105802891 407355944 /nfs/dbraw/zinc/35/59/44/407355944.db2.gz MTGOZRYOAQWLSV-OAHLLOKOSA-N 1 0 317.437 1.436 10 0 DDAERO CC[C@@](C)(O)C[NH+]1CCN(CCOc2cccc(OC)c2)CC1 ZINC000123670112 407336668 /nfs/dbraw/zinc/33/66/68/407336668.db2.gz ONZDGMMJBPOFDP-GOSISDBHSA-N 1 0 322.449 1.853 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@](C)(O)c1ccco1 ZINC000124452552 407358723 /nfs/dbraw/zinc/35/87/23/407358723.db2.gz WPTDLTUNLMMDTE-RHSMWYFYSA-N 1 0 323.437 1.907 10 0 DDAERO CC(=O)NC1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000106913278 407366207 /nfs/dbraw/zinc/36/62/07/407366207.db2.gz AURQFLZCURXNAD-QGZVFWFLSA-N 1 0 317.433 1.286 10 0 DDAERO CC(=O)NC1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000106913279 407366715 /nfs/dbraw/zinc/36/67/15/407366715.db2.gz AURQFLZCURXNAD-KRWDZBQOSA-N 1 0 317.433 1.286 10 0 DDAERO CCOCCC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000109292208 407396950 /nfs/dbraw/zinc/39/69/50/407396950.db2.gz XXOFJGATDXPWMJ-UHFFFAOYSA-N 1 0 308.426 1.233 10 0 DDAERO CC[C@@H]1CN(C(=O)Nc2ccc(F)nc2)CC[N@@H+]1CCOC ZINC000126443328 407413544 /nfs/dbraw/zinc/41/35/44/407413544.db2.gz JOKZGKJJONGZEK-CYBMUJFWSA-N 1 0 310.373 1.795 10 0 DDAERO O=C(NC1CC1)[C@H]1CCC[N@H+]1C[C@H](O)COCc1ccccc1 ZINC000113505241 407509378 /nfs/dbraw/zinc/50/93/78/407509378.db2.gz GBFLDBXVJRBJQI-DLBZAZTESA-N 1 0 318.417 1.307 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000113227902 407479069 /nfs/dbraw/zinc/47/90/69/407479069.db2.gz MHUMTMHTYORWNK-IUODEOHRSA-N 1 0 313.401 1.880 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000113367284 407496569 /nfs/dbraw/zinc/49/65/69/407496569.db2.gz UYVNBUUDKYVUGD-VXGBXAGGSA-N 1 0 312.373 1.232 10 0 DDAERO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1ccon1)c1ccccc1 ZINC000185520393 407446963 /nfs/dbraw/zinc/44/69/63/407446963.db2.gz NMVHGDFMXNEQOT-LBPRGKRZSA-N 1 0 302.334 1.032 10 0 DDAERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)NCCc1ccc(Cl)cc1 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ZINC000157060908 518587050 /nfs/dbraw/zinc/58/70/50/518587050.db2.gz MMOKIDNSISMNSI-IHRRRGAJSA-N 1 0 309.454 1.515 10 0 DDAERO CCC[C@H]([NH3+])C(=O)N1CCN(C(=O)CC2CCCCC2)CC1 ZINC000157490291 521108584 /nfs/dbraw/zinc/10/85/84/521108584.db2.gz UKNVNSBZTYOCAY-HNNXBMFYSA-N 1 0 309.454 1.755 10 0 DDAERO [NH3+][C@H]1CCCN(C(=O)CCN2c3ccccc3CCC2=O)C1 ZINC000157774971 527397875 /nfs/dbraw/zinc/39/78/75/527397875.db2.gz JHMGNOQNBMPVRE-AWEZNQCLSA-N 1 0 301.390 1.306 10 0 DDAERO O=c1cc(CNC[C@@H]2CCC[NH2+]C2)nc(-c2cccc(F)c2)[nH]1 ZINC000073696041 527479716 /nfs/dbraw/zinc/47/97/16/527479716.db2.gz PPTTZEQCDWEIES-GFCCVEGCSA-N 1 0 316.380 1.665 10 0 DDAERO CCn1nnc(C)c1-c1nc(CC23CCC[NH+]2CCC3)no1 ZINC000333856250 535910104 /nfs/dbraw/zinc/91/01/04/535910104.db2.gz ORMIRCDVMKSGRZ-UHFFFAOYSA-N 1 0 302.382 1.827 10 0 DDAERO C[NH+](C)[C@H]1CCN(Cn2ncn(-c3ccccc3)c2=S)C1 ZINC000170843167 697351083 /nfs/dbraw/zinc/35/10/83/697351083.db2.gz YOIWROODGFENNU-AWEZNQCLSA-N 1 0 303.435 1.997 10 0 DDAERO 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302.422 1.699 10 0 DDAERO COCC(C)(C)C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000700631234 699221982 /nfs/dbraw/zinc/22/19/82/699221982.db2.gz QRCGRQUBOQWWCV-OLZOCXBDSA-N 1 0 316.442 1.476 10 0 DDAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000702849496 699234485 /nfs/dbraw/zinc/23/44/85/699234485.db2.gz UBDAKDSZDUWYAY-XQQFMLRXSA-N 1 0 314.426 1.371 10 0 DDAERO C[C@@H](C[S@@](C)=O)[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711490691 699258611 /nfs/dbraw/zinc/25/86/11/699258611.db2.gz LUFFTPYCRSJOGB-QFRZFCHTSA-N 1 0 304.456 1.646 10 0 DDAERO CN1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)COCc1ccccc1 ZINC000720388025 699305444 /nfs/dbraw/zinc/30/54/44/699305444.db2.gz AFAHZAPLMAXEAV-RCCFBDPRSA-N 1 0 304.434 1.733 10 0 DDAERO COCc1nc(C[NH2+][C@H]2CCCN3CCSC[C@H]23)cs1 ZINC000720458967 699306213 /nfs/dbraw/zinc/30/62/13/699306213.db2.gz MUUDBGPLKQOUKA-QWHCGFSZSA-N 1 0 313.492 1.959 10 0 DDAERO O=S(=O)(NC1CCC(C(F)(F)F)CC1)[C@H]1CCC[NH2+]C1 ZINC000722219884 699316684 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Cc1cc2ncc([C@@H](C)[NH2+][C@@H](C)CS(C)(=O)=O)c(C)n2n1 ZINC000081902683 192337168 /nfs/dbraw/zinc/33/71/68/192337168.db2.gz RVQJDVLWRJAHMF-WDEREUQCSA-N 1 0 310.423 1.430 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](CO)Cc2cccc(C)c2)C1 ZINC000248879688 282114605 /nfs/dbraw/zinc/11/46/05/282114605.db2.gz WQBYCHMFDPSDQY-DLBZAZTESA-N 1 0 319.449 1.682 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](CO)Cc2cccc(C)c2)C1 ZINC000248879689 282114712 /nfs/dbraw/zinc/11/47/12/282114712.db2.gz WQBYCHMFDPSDQY-IAGOWNOFSA-N 1 0 319.449 1.682 10 0 DDAERO [NH3+][C@@H]1CCC2(C[C@@H]1S(=O)(=O)c1ccc(F)cc1)OCCO2 ZINC000081921382 192338588 /nfs/dbraw/zinc/33/85/88/192338588.db2.gz GXYWICIRSCFGJP-OLZOCXBDSA-N 1 0 315.366 1.222 10 0 DDAERO CCC[C@@H](CC[NH3+])CCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000079237153 185162116 /nfs/dbraw/zinc/16/21/16/185162116.db2.gz SSKAPTGUBCHDFY-CHWSQXEVSA-N 1 0 304.456 1.177 10 0 DDAERO CC(C)[C@@H](CC[NH3+])CCC(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000079276194 185163010 /nfs/dbraw/zinc/16/30/10/185163010.db2.gz IWZMSTWFIQJDHU-OCCSQVGLSA-N 1 0 304.456 1.081 10 0 DDAERO CC(C)[NH2+][C@H](CSc1ccc(Br)cn1)C(N)=O ZINC000079447783 185171893 /nfs/dbraw/zinc/17/18/93/185171893.db2.gz HEDUSZQWERVKMJ-SECBINFHSA-N 1 0 318.240 1.788 10 0 DDAERO C[N@@H+]1CCCC[C@@H]1CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000082315590 185175643 /nfs/dbraw/zinc/17/56/43/185175643.db2.gz OCVCFCRRNHEKPG-CQSZACIVSA-N 1 0 319.405 1.438 10 0 DDAERO CCn1cnnc1[C@H]1CCC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000328633850 231268686 /nfs/dbraw/zinc/26/86/86/231268686.db2.gz BDWIXXQYTXPKCP-JSGCOSHPSA-N 1 0 303.410 1.241 10 0 DDAERO CCC[C@@H](C[NH3+])NS(=O)(=O)Cc1cccc(C(=O)OC)c1 ZINC000087404176 185223757 /nfs/dbraw/zinc/22/37/57/185223757.db2.gz ZUQBPYMAPJBETJ-ZDUSSCGKSA-N 1 0 314.407 1.020 10 0 DDAERO CCC[C@H](C[NH3+])C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC000087519533 185227386 /nfs/dbraw/zinc/22/73/86/185227386.db2.gz HOUPAQQBAOYJEU-LLVKDONJSA-N 1 0 313.423 1.217 10 0 DDAERO 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O=S(=O)(Nc1c(Cl)cccc1Cl)N1CC[NH2+]CC1 ZINC000088171737 185240941 /nfs/dbraw/zinc/24/09/41/185240941.db2.gz UAQRMNBQPPJUDC-UHFFFAOYSA-N 1 0 310.206 1.555 10 0 DDAERO CCN([C@H](C)COC)S(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088544097 185256744 /nfs/dbraw/zinc/25/67/44/185256744.db2.gz WFMHSVZFIWHTHI-GFCCVEGCSA-N 1 0 318.439 1.823 10 0 DDAERO C[C@H](c1ccc(Br)s1)N1CC[NH2+]C[C@@H]1C(N)=O ZINC000088659681 185261879 /nfs/dbraw/zinc/26/18/79/185261879.db2.gz DZJNMPUQPFKQQD-HTQZYQBOSA-N 1 0 318.240 1.331 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CC[C@H]1CCCO1 ZINC000246036105 539269342 /nfs/dbraw/zinc/26/93/42/539269342.db2.gz QTYJNTQANFJXSR-MGPQQGTHSA-N 1 0 302.440 1.054 10 0 DDAERO CC(C)(C)[C@@H](CC[NH3+])CCC(=O)N[C@H]1C=CS(=O)(=O)C1 ZINC000088856160 185267192 /nfs/dbraw/zinc/26/71/92/185267192.db2.gz RKDVEGYREUMYTD-NEPJUHHUSA-N 1 0 302.440 1.205 10 0 DDAERO C[C@@H]1C[NH2+][C@](C)(c2ccccc2)CN1[C@H]1C=CS(=O)(=O)C1 ZINC000088860310 185267355 /nfs/dbraw/zinc/26/73/55/185267355.db2.gz 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CC[NH2+][C@H]1CC[C@H](N2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC000093798000 193309634 /nfs/dbraw/zinc/30/96/34/193309634.db2.gz GZYTYNVNCZKIPZ-UWVGGRQHSA-N 1 0 303.332 1.643 10 0 DDAERO CCCN(C1(C[NH3+])CCCC1)S(=O)(=O)CCOC(C)C ZINC000093664811 193285974 /nfs/dbraw/zinc/28/59/74/193285974.db2.gz XKRFQWZLOGVQAD-UHFFFAOYSA-N 1 0 306.472 1.725 10 0 DDAERO CC[NH2+][C@H](C)[C@H]1CCCN(S(=O)(=O)CCOC(C)C)C1 ZINC000093664604 193286703 /nfs/dbraw/zinc/28/67/03/193286703.db2.gz LUCWPTVUMDZHBO-KGLIPLIRSA-N 1 0 306.472 1.451 10 0 DDAERO O=C1CC[C@H](C[NH2+]Cc2cc(F)cc(Br)c2)N1 ZINC000093982419 193334147 /nfs/dbraw/zinc/33/41/47/193334147.db2.gz KRVNIVJFKVQFSK-LLVKDONJSA-N 1 0 301.159 1.956 10 0 DDAERO C[NH2+][C@]1(CO)CC[C@@H](Sc2ccc(S(C)(=O)=O)cc2)C1 ZINC000093860121 193320123 /nfs/dbraw/zinc/32/01/23/193320123.db2.gz SJZQPPSXEUGUKR-TZMCWYRMSA-N 1 0 315.460 1.685 10 0 DDAERO O=S(=O)(N(CC1CC[NH2+]CC1)C1CC1)N1CCCCCC1 ZINC000094024181 193339048 /nfs/dbraw/zinc/33/90/48/193339048.db2.gz OUPMOVLVWYOXLJ-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/35/82/68/193358268.db2.gz NMFSXXFXGWNPDW-JTQLQIEISA-N 1 0 305.469 1.685 10 0 DDAERO Cc1oc(C[NH2+]C(C)C)cc1CN(C)CCS(C)(=O)=O ZINC000094300849 193358361 /nfs/dbraw/zinc/35/83/61/193358361.db2.gz YTKGYEUAQQNYGF-UHFFFAOYSA-N 1 0 302.440 1.562 10 0 DDAERO C[NH2+][C@H](CCN(C)CCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000094300507 193359020 /nfs/dbraw/zinc/35/90/20/193359020.db2.gz HHWMWSAAWDTRIT-CQSZACIVSA-N 1 0 318.870 1.967 10 0 DDAERO CC1(C)CC[C@H](CN2CCSC[C@@H]2S(C)(=O)=O)[C@@H]1[NH3+] ZINC000094319177 193359384 /nfs/dbraw/zinc/35/93/84/193359384.db2.gz KZGZJLRFSGYYBP-WOPDTQHZSA-N 1 0 306.497 1.169 10 0 DDAERO CC[C@H]1CN(c2nc(C(F)(F)F)ccc2C(N)=[NH2+])CCO1 ZINC000094336669 193361136 /nfs/dbraw/zinc/36/11/36/193361136.db2.gz ROVMSYIRFOUSBQ-QMMMGPOBSA-N 1 0 302.300 2.000 10 0 DDAERO CCC([NH3+])(CC)C(=O)Nc1cc(S(=O)(=O)NC)ccc1C ZINC000094243749 193354260 /nfs/dbraw/zinc/35/42/60/193354260.db2.gz SEMKJONJADDPND-UHFFFAOYSA-N 1 0 313.423 1.359 10 0 DDAERO NC(=S)[C@@H]1C[N@@H+]([C@@H]2CCO[C@@]3(CCSC3)C2)CCO1 ZINC000094376186 193367318 /nfs/dbraw/zinc/36/73/18/193367318.db2.gz LLOPWOLGBIQAEY-MDZLAQPJSA-N 1 0 302.465 1.028 10 0 DDAERO CC(C)(O)CN1CC[NH+]([C@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000094411091 193368800 /nfs/dbraw/zinc/36/88/00/193368800.db2.gz CLPGSVPSZPRNGG-GOEBONIOSA-N 1 0 314.495 1.430 10 0 DDAERO CC(C)[C@@H]1C[N@@H+]2CCC[C@@H]2CN1[C@@H]1CCCS(=O)(=O)C1 ZINC000094449867 193371067 /nfs/dbraw/zinc/37/10/67/193371067.db2.gz WNTIIKIVFOFECD-KFWWJZLASA-N 1 0 300.468 1.368 10 0 DDAERO Cc1cc(N)ccc1S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000094457285 193371198 /nfs/dbraw/zinc/37/11/98/193371198.db2.gz IRSYMOHYVUOJCZ-GXTWGEPZSA-N 1 0 309.435 1.434 10 0 DDAERO Cc1cc(N)cc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000094457298 193371205 /nfs/dbraw/zinc/37/12/05/193371205.db2.gz MALBURXALWNDMV-GXTWGEPZSA-N 1 0 309.435 1.434 10 0 DDAERO C[C@H]1SCCC[C@]1(C[NH3+])N1CCN(c2ccccn2)CC1 ZINC000094478712 193372696 /nfs/dbraw/zinc/37/26/96/193372696.db2.gz QAMPGWZGOYHEBX-GDBMZVCRSA-N 1 0 306.479 1.817 10 0 DDAERO CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H]([NH3+])C2)cc1 ZINC000094550249 193378874 /nfs/dbraw/zinc/37/88/74/193378874.db2.gz SWYKFRGJXIWLNI-ZYHUDNBSSA-N 1 0 311.407 1.003 10 0 DDAERO CCOCCCN(CC(F)(F)F)C(=O)[C@@H]1CC[C@@H](C[NH3+])O1 ZINC000094568436 193380493 /nfs/dbraw/zinc/38/04/93/193380493.db2.gz KBPKCAZFJMZSHN-QWRGUYRKSA-N 1 0 312.332 1.310 10 0 DDAERO Cc1cc(NC(=O)[C@@H]2CC[C@@H](C[NH3+])O2)ncc1Br ZINC000094573350 193381360 /nfs/dbraw/zinc/38/13/60/193381360.db2.gz NFLMNKPYLGYAKN-WPRPVWTQSA-N 1 0 314.183 1.597 10 0 DDAERO [NH3+]C[C@H]1CC[C@H](C(=O)NCc2cc(Br)cs2)O1 ZINC000094572306 193381564 /nfs/dbraw/zinc/38/15/64/193381564.db2.gz XHDFGRZIVZKDER-PSASIEDQSA-N 1 0 319.224 1.633 10 0 DDAERO CC(C)[NH2+]C[C@@H](Cc1nccs1)[C@H]1CCS(=O)(=O)C1 ZINC000094976322 193410247 /nfs/dbraw/zinc/41/02/47/193410247.db2.gz HVJUXZHULISRNE-NWDGAFQWSA-N 1 0 302.465 1.735 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(N)c(F)cc1C ZINC000094779058 193396146 /nfs/dbraw/zinc/39/61/46/193396146.db2.gz DHTNKCNSIVIRBI-NSHDSACASA-N 1 0 315.414 1.479 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(N)c(F)cc2C)C1 ZINC000094779441 193396426 /nfs/dbraw/zinc/39/64/26/193396426.db2.gz HQFQITITASWMFC-LLVKDONJSA-N 1 0 315.414 1.479 10 0 DDAERO C[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@]1(C)CCCO1 ZINC000094783552 193398055 /nfs/dbraw/zinc/39/80/55/193398055.db2.gz BOIKRBRKLVBZTL-BFHYXJOUSA-N 1 0 304.456 1.205 10 0 DDAERO Cc1n[nH]c(C)c1S(=O)(=O)N(CC[NH3+])C1CCCCC1 ZINC000020183586 182194874 /nfs/dbraw/zinc/19/48/74/182194874.db2.gz USHBRQAHOGWRAC-UHFFFAOYSA-N 1 0 300.428 1.309 10 0 DDAERO [NH3+]Cc1cc(S(=O)(=O)NCc2ccccc2F)ccc1F ZINC000020189137 182195762 /nfs/dbraw/zinc/19/57/62/182195762.db2.gz IPCLKFOGAQEPQP-UHFFFAOYSA-N 1 0 312.341 1.902 10 0 DDAERO O=C(N1CC[NH2+]CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000021517899 182277954 /nfs/dbraw/zinc/27/79/54/182277954.db2.gz HJZRVSNZHIHSCQ-UHFFFAOYSA-N 1 0 308.813 1.487 10 0 DDAERO O[C@H](COCc1ccccc1)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000151318510 248295101 /nfs/dbraw/zinc/29/51/01/248295101.db2.gz ATTRPPSOTFVWJU-MSOLQXFVSA-N 1 0 304.434 1.734 10 0 DDAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CC2CCOCC2)CC1 ZINC000176459061 248426673 /nfs/dbraw/zinc/42/66/73/248426673.db2.gz SRWDSKMIBSBBKV-CQSZACIVSA-N 1 0 312.454 1.354 10 0 DDAERO CC(C)C[C@@H]1C(=O)NCCCN1C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000333630777 249048635 /nfs/dbraw/zinc/04/86/35/249048635.db2.gz GOBBCDQUQZQGRZ-MELADBBJSA-N 1 0 310.442 1.073 10 0 DDAERO Cc1nc(C)c([C@H](C)[NH2+]Cc2cc(=O)n(C)c(=O)n2C)s1 ZINC000040518649 183090092 /nfs/dbraw/zinc/09/00/92/183090092.db2.gz VHHXUQBOYXUGTI-QMMMGPOBSA-N 1 0 308.407 1.008 10 0 DDAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cc(Br)ccc2F)C1 ZINC000040632028 183112002 /nfs/dbraw/zinc/11/20/02/183112002.db2.gz NIIZCBHPUMCCAE-LDYMZIIASA-N 1 0 317.158 1.904 10 0 DDAERO COc1ccc(C[NH2+]C(C)(C)C(N)=O)cc1Br ZINC000040674570 183116324 /nfs/dbraw/zinc/11/63/24/183116324.db2.gz XFUBMDWFYBOVGZ-UHFFFAOYSA-N 1 0 301.184 1.811 10 0 DDAERO COc1cc(OC)c(NC(=O)[C@@H]2C[C@H](OC)C[NH2+]2)cc1Cl ZINC000040630205 183110802 /nfs/dbraw/zinc/11/08/02/183110802.db2.gz UZXYBWNQZBLUDA-KWQFWETISA-N 1 0 314.769 1.673 10 0 DDAERO COC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2C[C@@H](OC)C[NH2+]2)c1 ZINC000040633200 183111326 /nfs/dbraw/zinc/11/13/26/183111326.db2.gz SVCHTNMXRAWBLN-SKDRFNHKSA-N 1 0 312.753 1.442 10 0 DDAERO C[C@@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccc2c(c1)OCCO2 ZINC000333873047 249133876 /nfs/dbraw/zinc/13/38/76/249133876.db2.gz BZWOJVXZIFJLDX-BNOWGMLFSA-N 1 0 317.389 1.522 10 0 DDAERO CC(C)([NH3+])C(=O)Nc1cc(NS(C)(=O)=O)ccc1Cl ZINC000040921882 183148656 /nfs/dbraw/zinc/14/86/56/183148656.db2.gz WQTNCIKPPBSGPH-UHFFFAOYSA-N 1 0 305.787 1.387 10 0 DDAERO Cc1ccc(NC(=O)CSc2nc(N)cc(N)[nH+]2)cc1N ZINC000041023510 183156809 /nfs/dbraw/zinc/15/68/09/183156809.db2.gz FICDNOSLZWTCIS-UHFFFAOYSA-N 1 0 304.379 1.262 10 0 DDAERO [NH3+]CCc1noc(-c2cccc(I)c2)n1 ZINC000041062065 183161183 /nfs/dbraw/zinc/16/11/83/183161183.db2.gz PTEPWFCQGVFEEG-UHFFFAOYSA-N 1 0 315.114 1.842 10 0 DDAERO Cc1cc(=O)[nH]c(SCCOc2ccc(C(N)=[NH2+])cc2)n1 ZINC000041068850 183162178 /nfs/dbraw/zinc/16/21/78/183162178.db2.gz OFFZIROBEJZNOP-UHFFFAOYSA-N 1 0 304.375 1.946 10 0 DDAERO C[NH+](C)Cc1ccc([C@@H](NS(C)(=O)=O)c2ccncc2)cc1 ZINC000041531889 183199087 /nfs/dbraw/zinc/19/90/87/183199087.db2.gz JXCPIKIQOJNIPJ-MRXNPFEDSA-N 1 0 319.430 1.782 10 0 DDAERO CCNC(=O)C[NH2+]CCOc1ccc(Br)cc1 ZINC000042225242 183244799 /nfs/dbraw/zinc/24/47/99/183244799.db2.gz RYGYOVYQKUIAOJ-UHFFFAOYSA-N 1 0 301.184 1.554 10 0 DDAERO CN(C)C(=O)CCOc1c(Br)cccc1CC[NH3+] ZINC000042412652 183265962 /nfs/dbraw/zinc/26/59/62/183265962.db2.gz KDJXPMJQFFHVSQ-UHFFFAOYSA-N 1 0 315.211 1.807 10 0 DDAERO [NH3+]C[C@@H](c1ccc(Br)o1)N1CCN(C2CC2)CC1 ZINC000042489802 183276228 /nfs/dbraw/zinc/27/62/28/183276228.db2.gz DNPVUHXKQHXRCP-NSHDSACASA-N 1 0 314.227 1.822 10 0 DDAERO CCC(CC)N(CCO)S(=O)(=O)CCC1CC[NH2+]CC1 ZINC000042526439 183280103 /nfs/dbraw/zinc/28/01/03/183280103.db2.gz WONLPKIWAPGDEV-UHFFFAOYSA-N 1 0 306.472 1.189 10 0 DDAERO COCCN(CC(C)C)S(=O)(=O)CCC1CC[NH2+]CC1 ZINC000042370787 183260043 /nfs/dbraw/zinc/26/00/43/183260043.db2.gz HAINAVUXPLFJGF-UHFFFAOYSA-N 1 0 306.472 1.310 10 0 DDAERO CCN(C[C@@H](O)COc1ccc(C[NH3+])cc1)CC(F)(F)F ZINC000042739739 183303310 /nfs/dbraw/zinc/30/33/10/183303310.db2.gz FDWUQDPWJOHYRW-GFCCVEGCSA-N 1 0 306.328 1.769 10 0 DDAERO CC(C)N(CC(N)=O)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042955124 183321280 /nfs/dbraw/zinc/32/12/80/183321280.db2.gz UZHGXUOADCFRTO-LBPRGKRZSA-N 1 0 314.227 1.645 10 0 DDAERO CNC(=O)CN(C)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042953073 183322112 /nfs/dbraw/zinc/32/21/12/183322112.db2.gz MLIFPLKHHNOVHT-NOZJJQNGSA-N 1 0 314.227 1.515 10 0 DDAERO CC[C@H]([NH3+])[C@H](c1cccc(C)c1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000042966685 183324265 /nfs/dbraw/zinc/32/42/65/183324265.db2.gz CBKCXRCUVAGVBP-PMPSAXMXSA-N 1 0 310.463 1.892 10 0 DDAERO C[C@@H]([NH3+])[C@H](c1cccc(F)c1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000042972088 183324554 /nfs/dbraw/zinc/32/45/54/183324554.db2.gz KLUAAQQXVSNYMJ-LERXQTSPSA-N 1 0 300.399 1.333 10 0 DDAERO CC[C@H]([NH3+])[C@@H](c1ccccc1F)N1CCS(=O)(=O)CC1 ZINC000043043797 183331732 /nfs/dbraw/zinc/33/17/32/183331732.db2.gz BDFFRQBDTLUVFH-UONOGXRCSA-N 1 0 300.399 1.335 10 0 DDAERO C[C@@H]([NH3+])[C@@H](Oc1cccc(S(C)(=O)=O)c1)c1cnn(C)c1 ZINC000043236505 183345636 /nfs/dbraw/zinc/34/56/36/183345636.db2.gz MCOVEHNIVINYET-QMTHXVAHSA-N 1 0 309.391 1.291 10 0 DDAERO CC(C)[NH+](CCNc1cc(N2CCC[C@H]2CO)ncn1)C(C)C ZINC000105785947 194126983 /nfs/dbraw/zinc/12/69/83/194126983.db2.gz YCJQKZZUTYRSFY-HNNXBMFYSA-N 1 0 321.469 1.968 10 0 DDAERO CC[C@H]1CN(CC(=O)Nc2cccc(F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000105825232 194137981 /nfs/dbraw/zinc/13/79/81/194137981.db2.gz HDSMXMUQBKXLJS-CJNGLKHVSA-N 1 0 323.412 1.541 10 0 DDAERO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105799151 194132599 /nfs/dbraw/zinc/13/25/99/194132599.db2.gz JCPNJAJCFZGCNH-ZDUSSCGKSA-N 1 0 305.426 1.292 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2ccc(C(N)=O)cc2)C[C@@H]1CC ZINC000105838029 194144845 /nfs/dbraw/zinc/14/48/45/194144845.db2.gz HHDNPTCXHKJPNE-KRWDZBQOSA-N 1 0 319.449 1.718 10 0 DDAERO Cc1ccc(NC(=O)[C@@H](C)N2CCO[C@H](C[NH+](C)C)C2)cc1C ZINC000105925655 194171733 /nfs/dbraw/zinc/17/17/33/194171733.db2.gz QOWIDRMNGYIAOA-NVXWUHKLSA-N 1 0 319.449 1.893 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(-n3cccn3)cc2)C[C@H]1C ZINC000105911807 194167840 /nfs/dbraw/zinc/16/78/40/194167840.db2.gz DPIZYKUQVJRLQL-HZPDHXFCSA-N 1 0 314.433 1.759 10 0 DDAERO CC[C@@H]1CN([C@@H](C)C(=O)N2CCCCC2)CC[N@@H+]1CCOC ZINC000105914565 194170110 /nfs/dbraw/zinc/17/01/10/194170110.db2.gz BHWZBUAHNBVVQM-JKSUJKDBSA-N 1 0 311.470 1.430 10 0 DDAERO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1ccc(Cl)c(N)c1 ZINC000049554750 183741268 /nfs/dbraw/zinc/74/12/68/183741268.db2.gz ILNPCCUZVNWDTO-SECBINFHSA-N 1 0 305.831 1.541 10 0 DDAERO Cc1nc(C)c([C@H](C)NS(=O)(=O)CC2CC[NH2+]CC2)s1 ZINC000049646245 183751769 /nfs/dbraw/zinc/75/17/69/183751769.db2.gz KGUALSHHIRAPHQ-JTQLQIEISA-N 1 0 317.480 1.740 10 0 DDAERO CN(c1ncc(Br)cc1CO)C1CC[NH+](C)CC1 ZINC000050042941 183768755 /nfs/dbraw/zinc/76/87/55/183768755.db2.gz CIZUUDGVXVXEAK-UHFFFAOYSA-N 1 0 314.227 1.867 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000109460726 194265361 /nfs/dbraw/zinc/26/53/61/194265361.db2.gz FHRKPJKLPVFPPQ-CYBMUJFWSA-N 1 0 307.419 1.215 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000109460783 194265858 /nfs/dbraw/zinc/26/58/58/194265858.db2.gz JQWNGWBGNLKNIA-CYBMUJFWSA-N 1 0 309.410 1.648 10 0 DDAERO C[C@H](C(N)=S)[NH+]1CCN(CCCOCC(F)(F)F)CC1 ZINC000109468090 194267586 /nfs/dbraw/zinc/26/75/86/194267586.db2.gz XGKJJKAKTYRSHQ-SNVBAGLBSA-N 1 0 313.389 1.248 10 0 DDAERO Brc1cccc(-c2nc(CN3CC[NH2+]CC3)no2)c1 ZINC000109473414 194268259 /nfs/dbraw/zinc/26/82/59/194268259.db2.gz CUSXRJWOXHSYTH-UHFFFAOYSA-N 1 0 323.194 1.904 10 0 DDAERO CCNC(=O)COc1ccc(Br)cc1[C@H](C)[NH3+] ZINC000052066285 183848971 /nfs/dbraw/zinc/84/89/71/183848971.db2.gz SHWIHTIXSHVWBL-QMMMGPOBSA-N 1 0 301.184 1.984 10 0 DDAERO CN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(F)c(F)c1F ZINC000110927782 194370352 /nfs/dbraw/zinc/37/03/52/194370352.db2.gz PUTBTYWZECSLEY-MRVPVSSYSA-N 1 0 308.325 1.476 10 0 DDAERO COCCN([C@H](C)COC)[C@@H](C[NH3+])c1cccc(F)c1F ZINC000111039737 194386009 /nfs/dbraw/zinc/38/60/09/194386009.db2.gz SCPBDXKJOABJHN-RISCZKNCSA-N 1 0 302.365 1.948 10 0 DDAERO CN(C[C@@H]1CCCOC1)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000111178840 194399605 /nfs/dbraw/zinc/39/96/05/194399605.db2.gz KEWISQVBEUFELU-KBPBESRZSA-N 1 0 304.456 1.207 10 0 DDAERO CC(C)[NH2+][C@@](C)(CCC[N@H+](C)CC1CCOCC1)C(=O)[O-] ZINC000111170280 194398397 /nfs/dbraw/zinc/39/83/97/194398397.db2.gz CPSQDXWKGSBWOU-INIZCTEOSA-N 1 0 300.443 1.966 10 0 DDAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 ZINC000061233793 184166851 /nfs/dbraw/zinc/16/68/51/184166851.db2.gz XVAVMGBTBNJTRT-VIFPVBQESA-N 1 0 317.386 1.381 10 0 DDAERO CCNS(=O)(=O)c1ccc(NC(=O)C[C@H](C)[NH2+]CC)cc1 ZINC000061271069 184167067 /nfs/dbraw/zinc/16/70/67/184167067.db2.gz JQELJCLPEFEELP-NSHDSACASA-N 1 0 313.423 1.311 10 0 DDAERO C[NH2+]C(C)(C)C(=O)Nc1cc(NS(C)(=O)=O)ccc1Cl ZINC000061300894 184167637 /nfs/dbraw/zinc/16/76/37/184167637.db2.gz ILSXIZBNOQKNAB-UHFFFAOYSA-N 1 0 319.814 1.648 10 0 DDAERO Cc1ccc2[nH]c(S[C@H](C)C(=O)N3CC[NH2+]CC3)nc2c1 ZINC000061440720 184171107 /nfs/dbraw/zinc/17/11/07/184171107.db2.gz VVYBJEMFHPMSSJ-LLVKDONJSA-N 1 0 304.419 1.784 10 0 DDAERO C[N@@H+]1CCCC[C@H]1CNc1nc(Cl)nc(-n2cncn2)n1 ZINC000061540831 184173482 /nfs/dbraw/zinc/17/34/82/184173482.db2.gz RPZOPZMEEWTVKC-VIFPVBQESA-N 1 0 308.777 1.002 10 0 DDAERO CCN(CC)c1nc(Cl)nc(NCC[N@H+](C)CCOC)n1 ZINC000061542859 184173916 /nfs/dbraw/zinc/17/39/16/184173916.db2.gz XDJQUHCDTVMFLG-UHFFFAOYSA-N 1 0 316.837 1.361 10 0 DDAERO CC[C@@H](Oc1c(Cl)cc(C[C@H](C)[NH3+])cc1OC)C(N)=O ZINC000061678330 184181716 /nfs/dbraw/zinc/18/17/16/184181716.db2.gz KTSMUQGTZGVLNF-GZMMTYOYSA-N 1 0 300.786 1.881 10 0 DDAERO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCc2ccccc2C[NH3+])C1 ZINC000061841329 184189506 /nfs/dbraw/zinc/18/95/06/184189506.db2.gz PSIVXZFGELDTDV-CHWSQXEVSA-N 1 0 311.451 1.458 10 0 DDAERO C[C@@H](c1ccc(Cl)cc1)N(C)[C@@H]1CS(=O)(=O)C[C@@H]1[NH3+] ZINC000062014415 184201304 /nfs/dbraw/zinc/20/13/04/184201304.db2.gz SBUBWTZXSAGOFU-TVYUQYBPSA-N 1 0 302.827 1.457 10 0 DDAERO Cc1ccc(F)cc1S(=O)(=O)NC[C@H]1CC[C@H](C)[NH2+]C1 ZINC000062037518 184202739 /nfs/dbraw/zinc/20/27/39/184202739.db2.gz KRWXBTDVUSNNRE-RYUDHWBXSA-N 1 0 300.399 1.801 10 0 DDAERO COC(=O)COc1ccc(C[C@H](C)[NH3+])cc1Br ZINC000062704148 184248927 /nfs/dbraw/zinc/24/89/27/184248927.db2.gz GWXMSPOLTAVQDJ-QMMMGPOBSA-N 1 0 302.168 1.891 10 0 DDAERO COCC[N@H+](C)CCNc1cc(Cl)ccc1C(N)=S ZINC000062788567 184253091 /nfs/dbraw/zinc/25/30/91/184253091.db2.gz CXQBACUKHDYNNN-UHFFFAOYSA-N 1 0 301.843 1.964 10 0 DDAERO COC(=O)CCN(CC(F)(F)F)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062857272 184257143 /nfs/dbraw/zinc/25/71/43/184257143.db2.gz FMTQSBYKFPUYEA-LBPRGKRZSA-N 1 0 310.316 1.330 10 0 DDAERO CCCc1cc(=O)[nH]c(SCC[C@H]([NH2+]C(C)C)C(N)=O)n1 ZINC000062599213 184245272 /nfs/dbraw/zinc/24/52/72/184245272.db2.gz RAEXUPOCGROQGS-NSHDSACASA-N 1 0 312.439 1.057 10 0 DDAERO CN(Cc1ccc(Cl)s1)[C@]1(C[NH3+])CCS(=O)(=O)C1 ZINC000062962590 184262849 /nfs/dbraw/zinc/26/28/49/184262849.db2.gz LSTZWLZBZKHCRS-NSHDSACASA-N 1 0 308.856 1.349 10 0 DDAERO C[C@@H]1c2ccsc2CCN1[C@]1(C[NH3+])CCS(=O)(=O)C1 ZINC000062962676 184263185 /nfs/dbraw/zinc/26/31/85/184263185.db2.gz RUNUFDSQEBWSAX-MFKMUULPSA-N 1 0 300.449 1.183 10 0 DDAERO CC(C)[NH2+]CCCS(=O)(=O)N1CCOc2ccccc2C1 ZINC000063013975 184266489 /nfs/dbraw/zinc/26/64/89/184266489.db2.gz OZCYMBRBNHTPFS-UHFFFAOYSA-N 1 0 312.435 1.599 10 0 DDAERO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C[NH2+]C(C)C)C1 ZINC000063138638 184273225 /nfs/dbraw/zinc/27/32/25/184273225.db2.gz 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197001754 /nfs/dbraw/zinc/00/17/54/197001754.db2.gz CKDSVHFIXNOCKE-CQSZACIVSA-N 1 0 320.437 1.729 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(F)c(F)c(F)c2)C[C@@H]1C ZINC000120627426 195204999 /nfs/dbraw/zinc/20/49/99/195204999.db2.gz YEUCFLOTYVCBMC-WDEREUQCSA-N 1 0 302.340 1.991 10 0 DDAERO COCCOc1ccccc1CN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000120647885 195208038 /nfs/dbraw/zinc/20/80/38/195208038.db2.gz SJTJFFUGGIRGOC-JKSUJKDBSA-N 1 0 322.449 1.599 10 0 DDAERO CC[C@@H]1CN(Cc2ccc(OC)c(O)c2)CC[N@@H+]1CCOC ZINC000120935393 195267806 /nfs/dbraw/zinc/26/78/06/195267806.db2.gz VGNFAOJVLCTZPJ-OAHLLOKOSA-N 1 0 308.422 1.943 10 0 DDAERO CCOC(=O)[C@]12CN(C(C)=O)C[C@H]1C[N@H+](CC1CC1)CCC2 ZINC000247967510 257112562 /nfs/dbraw/zinc/11/25/62/257112562.db2.gz XPZGSRHRNSIANA-NVXWUHKLSA-N 1 0 308.422 1.520 10 0 DDAERO CC(C)[N@@H+]1C[C@@H]2OCC[C@@H]2[C@@H](C(=O)NCc2cccnc2)C1 ZINC000247984776 257112866 /nfs/dbraw/zinc/11/28/66/257112866.db2.gz IJSPDESFNIAIRE-PMPSAXMXSA-N 1 0 303.406 1.443 10 0 DDAERO Cc1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)no1 ZINC000253478298 257105093 /nfs/dbraw/zinc/10/50/93/257105093.db2.gz KGNMPTUULHGZHJ-CVEARBPZSA-N 1 0 312.373 1.867 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)Nc1cccc(Br)c1 ZINC000414666250 224369946 /nfs/dbraw/zinc/36/99/46/224369946.db2.gz GAZPNIQLXZITBK-KWQFWETISA-N 1 0 314.183 1.151 10 0 DDAERO C[C@H]1CC2(CN1S(=O)(=O)NC1CCCC1)CC[NH2+]CC2 ZINC000333581530 299737678 /nfs/dbraw/zinc/73/76/78/299737678.db2.gz NZCJXRPEBHMTMF-LBPRGKRZSA-N 1 0 301.456 1.227 10 0 DDAERO COCCC1(CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)CCC1 ZINC000119430597 292302908 /nfs/dbraw/zinc/30/29/08/292302908.db2.gz KYYNLWWHTFUVNR-CQSZACIVSA-N 1 0 313.442 1.165 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CNC(=O)NCc1ccco1 ZINC000068224414 406626265 /nfs/dbraw/zinc/62/62/65/406626265.db2.gz YFYQEXYQMYNLER-CYBMUJFWSA-N 1 0 324.425 1.171 10 0 DDAERO CC(C)C(=O)N1CCC[N@H+](C[C@H](O)COC(C)(C)C)CC1 ZINC000069609065 406744138 /nfs/dbraw/zinc/74/41/38/406744138.db2.gz SSUKWGCGVVTNIW-AWEZNQCLSA-N 1 0 300.443 1.353 10 0 DDAERO c1cncc(-c2cc(N3CC[NH2+]CC3)nc(-c3cnccn3)n2)c1 ZINC000070451650 406816933 /nfs/dbraw/zinc/81/69/33/406816933.db2.gz KXOUCAQDORRWJD-UHFFFAOYSA-N 1 0 319.372 1.405 10 0 DDAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000070576012 406820528 /nfs/dbraw/zinc/82/05/28/406820528.db2.gz ZAZKPOXUAHXASP-LSDHHAIUSA-N 1 0 307.463 1.910 10 0 DDAERO C[C@@H]([NH3+])[C@@H](n1cc(I)cn1)C(F)(F)F ZINC000070677218 406820533 /nfs/dbraw/zinc/82/05/33/406820533.db2.gz VALGUFQPENQPLU-INEUFUBQSA-N 1 0 319.068 1.938 10 0 DDAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cc(Br)c[nH]1 ZINC000071190435 406833916 /nfs/dbraw/zinc/83/39/16/406833916.db2.gz HFZKNJVWTIMUDV-VIFPVBQESA-N 1 0 300.200 1.801 10 0 DDAERO [NH3+][C@@H]1CC(=O)N(c2ccccc2I)C1 ZINC000035679788 406974576 /nfs/dbraw/zinc/97/45/76/406974576.db2.gz IYWOUOLFUQHGID-SSDOTTSWSA-N 1 0 302.115 1.355 10 0 DDAERO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)c1ccc(F)c(F)c1 ZINC000078245756 407021988 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COC[C@H](C)C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000109291623 407396922 /nfs/dbraw/zinc/39/69/22/407396922.db2.gz VQJXHKIRFTWKRI-AWEZNQCLSA-N 1 0 308.426 1.088 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@@H]1c2ccccc2NC1=O ZINC000113225831 407476919 /nfs/dbraw/zinc/47/69/19/407476919.db2.gz NKTQAJDMWWPBMM-UMVBOHGHSA-N 1 0 313.401 1.808 10 0 DDAERO Cc1nn(C)c(C)c1CCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113226498 407479546 /nfs/dbraw/zinc/47/95/46/407479546.db2.gz QUJYOTOOPOXENL-WFASDCNBSA-N 1 0 304.438 1.665 10 0 DDAERO COc1ccc(OC)c(CC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000113231921 407482792 /nfs/dbraw/zinc/48/27/92/407482792.db2.gz MNJZHEDSGYDHJJ-UKRRQHHQSA-N 1 0 318.417 1.941 10 0 DDAERO COC(=O)c1[nH]c(C)c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000178537446 407484115 /nfs/dbraw/zinc/48/41/15/407484115.db2.gz JXBLQBFFEDKUTQ-LBPRGKRZSA-N 1 0 305.378 1.338 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H](O)COCc1cccs1 ZINC000113310454 407492591 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C[C@H](CC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000178861217 407630720 /nfs/dbraw/zinc/63/07/20/407630720.db2.gz XHMJNCCPCDKMHD-YYIAUSFCSA-N 1 0 323.481 1.191 10 0 DDAERO CCOC(=O)C[C@H](C)CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000129923418 407637612 /nfs/dbraw/zinc/63/76/12/407637612.db2.gz KVMJREUPCGBMEC-GOEBONIOSA-N 1 0 320.433 1.865 10 0 DDAERO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cn1 ZINC000261924700 407674513 /nfs/dbraw/zinc/67/45/13/407674513.db2.gz KVFJBNSKXRYZCQ-BZUAXINKSA-N 1 0 304.438 1.394 10 0 DDAERO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000261932208 407678204 /nfs/dbraw/zinc/67/82/04/407678204.db2.gz LUDKWNFEVNGUJU-KURKYZTESA-N 1 0 317.433 1.892 10 0 DDAERO [NH3+][C@@H](C(=O)N1CC[NH+](CC2CCCCC2)CC1)C1CCOCC1 ZINC000261984309 407702625 /nfs/dbraw/zinc/70/26/25/407702625.db2.gz MIICWGRFFJJIDU-QGZVFWFLSA-N 1 0 323.481 1.465 10 0 DDAERO CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000171553458 407703528 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C[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)[C@@H](C(=O)OC)C1 ZINC000079025984 185147400 /nfs/dbraw/zinc/14/74/00/185147400.db2.gz BGXMDTSDUZOVKO-ZIAGYGMSSA-N 1 0 306.362 1.549 10 0 DDAERO CC(C)[C@@H]1CCCN(S(=O)(=O)N2CCC[NH2+]CC2)CC1 ZINC000079348523 185165917 /nfs/dbraw/zinc/16/59/17/185165917.db2.gz ICKWAAJYRDRSLI-CQSZACIVSA-N 1 0 303.472 1.285 10 0 DDAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC(CC(N)=O)CC1 ZINC000079452334 185172249 /nfs/dbraw/zinc/17/22/49/185172249.db2.gz OQNGEIMKKKJMCN-AWEZNQCLSA-N 1 0 312.458 1.260 10 0 DDAERO CS(=O)(=O)N1CCC([NH2+][C@H]2CCOc3ccccc32)CC1 ZINC000036828328 539031211 /nfs/dbraw/zinc/03/12/11/539031211.db2.gz VCUTWZZEPRXJDO-AWEZNQCLSA-N 1 0 310.419 1.524 10 0 DDAERO CC[NH2+][C@H](CS(=O)(=O)CCOC)c1ccc(OCC)cc1 ZINC000081944979 192345900 /nfs/dbraw/zinc/34/59/00/192345900.db2.gz KHWQGWVNXCQQHB-OAHLLOKOSA-N 1 0 315.435 1.797 10 0 DDAERO O=S(=O)(C[C@@H]1CC[NH2+]C1)c1ccccc1Br ZINC000083252346 185221633 /nfs/dbraw/zinc/22/16/33/185221633.db2.gz ZNUWPTDBIALEFN-SECBINFHSA-N 1 0 304.209 1.832 10 0 DDAERO CCC[C@@H](C[NH3+])C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000087518099 185227368 /nfs/dbraw/zinc/22/73/68/185227368.db2.gz LBFPYBKFWHWZMR-NSHDSACASA-N 1 0 313.423 1.264 10 0 DDAERO CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1S(=O)(=O)CCC(=O)OC ZINC000081974956 192347874 /nfs/dbraw/zinc/34/78/74/192347874.db2.gz PNRWYAUOOOFAOU-RDBSUJKOSA-N 1 0 319.467 1.911 10 0 DDAERO O=S(=O)(Cc1ccc(Br)s1)CC1C[NH2+]C1 ZINC000088091099 185239555 /nfs/dbraw/zinc/23/95/55/185239555.db2.gz QADFIGYFRMPICI-UHFFFAOYSA-N 1 0 310.238 1.645 10 0 DDAERO Cc1nn(C)c(C[S@@](=O)[C@H](C)CC[NH3+])c1Br ZINC000088087923 185239335 /nfs/dbraw/zinc/23/93/35/185239335.db2.gz MDYGGZKTIRXEQP-QZTNRIJFSA-N 1 0 308.245 1.477 10 0 DDAERO NNc1nc(NC[C@@H]2CCCC[C@@H]2O)c(Br)c[nH+]1 ZINC000087882661 185234276 /nfs/dbraw/zinc/23/42/76/185234276.db2.gz SOQRHIIGDXUTMV-CBAPKCEASA-N 1 0 316.203 1.488 10 0 DDAERO CC1(C)C[NH2+]CCN1c1ccccc1S(=O)(=O)NC1CC1 ZINC000088147113 185240639 /nfs/dbraw/zinc/24/06/39/185240639.db2.gz LPPPPDYMUJSWMQ-UHFFFAOYSA-N 1 0 309.435 1.316 10 0 DDAERO CC[NH2+][C@H](c1ccc(C)cc1)[C@H](C)S(=O)(=O)CC(=O)OC ZINC000081976585 192348082 /nfs/dbraw/zinc/34/80/82/192348082.db2.gz PXXQWPWZOZZIGH-WFASDCNBSA-N 1 0 313.419 1.622 10 0 DDAERO CCC(C)(C)[C@H]1CC[C@@H]([NH3+])[C@H](S(=O)(=O)CC(=O)OC)C1 ZINC000081976786 192348095 /nfs/dbraw/zinc/34/80/95/192348095.db2.gz JITIYRYDNNQVMU-QJPTWQEYSA-N 1 0 305.440 1.506 10 0 DDAERO C[N@@H+]1CCCC[C@H]1COc1nc(Cl)nc(-n2ccnc2)n1 ZINC000088165556 185240837 /nfs/dbraw/zinc/24/08/37/185240837.db2.gz QEUNADZMMUVQEM-JTQLQIEISA-N 1 0 308.773 1.574 10 0 DDAERO COC[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(F)c(F)c1 ZINC000182277491 539239197 /nfs/dbraw/zinc/23/91/97/539239197.db2.gz CBDVYYAOVHZJPQ-BLLLJJGKSA-N 1 0 314.376 1.963 10 0 DDAERO CC(C)(C[NH2+]CCc1ccc2c(c1)CCO2)NS(C)(=O)=O ZINC000088102134 185239616 /nfs/dbraw/zinc/23/96/16/185239616.db2.gz PSGKWLBFHMBFJH-UHFFFAOYSA-N 1 0 312.435 1.081 10 0 DDAERO CCC(C)(C)[C@H]1CC[C@@H]([NH2+]C)[C@H](S(=O)(=O)CC(=O)OC)C1 ZINC000081976521 192348366 /nfs/dbraw/zinc/34/83/66/192348366.db2.gz OJPZWNRPIUWJMJ-YNEHKIRRSA-N 1 0 319.467 1.767 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2ccc3c(c2)NC(=O)C3)C1 ZINC000183091430 539240917 /nfs/dbraw/zinc/24/09/17/539240917.db2.gz FPENKITUOZIZRZ-WBMJQRKESA-N 1 0 315.417 1.569 10 0 DDAERO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCCO2)c1 ZINC000183131383 539240968 /nfs/dbraw/zinc/24/09/68/539240968.db2.gz QQLJQDVFIGTIAZ-ABAIWWIYSA-N 1 0 305.378 1.741 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccn([C@H](C)COC)n2)C1 ZINC000251481986 282201575 /nfs/dbraw/zinc/20/15/75/282201575.db2.gz DMPMNYMCSJPKGT-OLZOCXBDSA-N 1 0 309.414 1.696 10 0 DDAERO CCC[C@]1(C(=O)Nc2cnc(Br)cn2)CC[NH2+]C1 ZINC000088446396 185251169 /nfs/dbraw/zinc/25/11/69/185251169.db2.gz GSNUMIAVYHJRFY-LBPRGKRZSA-N 1 0 313.199 1.957 10 0 DDAERO C[NH2+][C@H](Cc1ccc2ccccc2n1)[C@H]1CCS(=O)(=O)C1 ZINC000088519251 185254600 /nfs/dbraw/zinc/25/46/00/185254600.db2.gz XIJIKDZKYBCIEV-XJKSGUPXSA-N 1 0 304.415 1.800 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCc3sccc3C2)o1 ZINC000088543529 185256610 /nfs/dbraw/zinc/25/66/10/185256610.db2.gz VNEHXNIETSCBOD-UHFFFAOYSA-N 1 0 312.416 1.808 10 0 DDAERO CCOC(=O)CS(=O)(=O)C[C@@H]([NH2+]C)c1ccc(CC)cc1 ZINC000081978015 192349134 /nfs/dbraw/zinc/34/91/34/192349134.db2.gz XZWRCWUTVVEBIK-CQSZACIVSA-N 1 0 313.419 1.487 10 0 DDAERO CC[NH2+][C@H](CS(=O)(=O)C(C)C)c1ccc2c(c1)OCCO2 ZINC000081980173 192349149 /nfs/dbraw/zinc/34/91/49/192349149.db2.gz GSYLELDQBQPSKE-CYBMUJFWSA-N 1 0 313.419 1.932 10 0 DDAERO CCC[C@H](COC)NS(=O)(=O)c1ccc(C[NH2+]CC)o1 ZINC000088551326 185257632 /nfs/dbraw/zinc/25/76/32/185257632.db2.gz HODWTLIXAOTPLH-LLVKDONJSA-N 1 0 304.412 1.483 10 0 DDAERO Cc1noc2ncnc(N(C)CC3CC[NH+](C[C@H](C)O)CC3)c12 ZINC000193394450 539261489 /nfs/dbraw/zinc/26/14/89/539261489.db2.gz GENNTUGLUAKMMH-NSHDSACASA-N 1 0 319.409 1.455 10 0 DDAERO Cc1nn(C)c2sc(C(=O)NCCCC[NH+](C)C)c(N)c12 ZINC000088642686 185261156 /nfs/dbraw/zinc/26/11/56/185261156.db2.gz MNVSENLEWZGOTJ-UHFFFAOYSA-N 1 0 309.439 1.597 10 0 DDAERO Cc1nnc2sc(C(=O)N(C)CC[NH+](C)C)c(N)c2c1C ZINC000088643705 185261506 /nfs/dbraw/zinc/26/15/06/185261506.db2.gz PMJPNOQNHZLGMA-UHFFFAOYSA-N 1 0 307.423 1.524 10 0 DDAERO CCOC(=O)[C@H]1C[NH2+]CCN1c1ccc(C(F)(F)F)cn1 ZINC000088673172 185262168 /nfs/dbraw/zinc/26/21/68/185262168.db2.gz JEGFBNSADVMUFF-SNVBAGLBSA-N 1 0 303.284 1.442 10 0 DDAERO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNc3nc(CC[NH3+])nn32)C1 ZINC000232498036 539266965 /nfs/dbraw/zinc/26/69/65/539266965.db2.gz PPKQVUQDPOSZGA-WDEREUQCSA-N 1 0 322.413 1.003 10 0 DDAERO CC[NH+]1CCC(N(C)S(=O)(=O)c2cccc(CO)c2)CC1 ZINC000088873126 185267574 /nfs/dbraw/zinc/26/75/74/185267574.db2.gz PYVQVSPZUMJEMP-UHFFFAOYSA-N 1 0 312.435 1.284 10 0 DDAERO C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)S(=O)(=O)CCCOC ZINC000081986295 192349319 /nfs/dbraw/zinc/34/93/19/192349319.db2.gz KOWQIQBATULSMM-IUODEOHRSA-N 1 0 315.435 1.796 10 0 DDAERO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(CO)oc2C)CC1 ZINC000088891801 185269718 /nfs/dbraw/zinc/26/97/18/185269718.db2.gz PAHYWHQYGKQEJG-UHFFFAOYSA-N 1 0 316.423 1.185 10 0 DDAERO C[NH2+][C@H]1c2ccccc2CC[C@H]1S(=O)(=O)C1CCOCC1 ZINC000081989690 192350773 /nfs/dbraw/zinc/35/07/73/192350773.db2.gz YSQFLPSWARGAAT-CVEARBPZSA-N 1 0 309.431 1.856 10 0 DDAERO [NH3+][C@@H]1CCC2(C[C@H]1S(=O)(=O)CC1CCCC1)OCCO2 ZINC000081991467 192351586 /nfs/dbraw/zinc/35/15/86/192351586.db2.gz NSUNWMLJQWQUCQ-CHWSQXEVSA-N 1 0 303.424 1.214 10 0 DDAERO CCCN(C1C[NH2+]C1)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000090293240 185290083 /nfs/dbraw/zinc/29/00/83/185290083.db2.gz WRYLZMQWNKPNDG-UHFFFAOYSA-N 1 0 306.790 1.852 10 0 DDAERO O=C(c1cccc(Br)c1)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308835 185290321 /nfs/dbraw/zinc/29/03/21/185290321.db2.gz ILXYJSKWWPDADQ-UHFFFAOYSA-N 1 0 324.222 1.179 10 0 DDAERO Clc1ccc2nc(CN3CC(N4CC[NH2+]CC4)C3)cn2c1 ZINC000090309258 185290588 /nfs/dbraw/zinc/29/05/88/185290588.db2.gz RLISXJQDGVNGOM-UHFFFAOYSA-N 1 0 305.813 1.077 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000090313047 185290642 /nfs/dbraw/zinc/29/06/42/185290642.db2.gz XNTBMBJCQQTUIX-KFWWJZLASA-N 1 0 312.435 1.593 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1C ZINC000090313115 185290759 /nfs/dbraw/zinc/29/07/59/185290759.db2.gz UVICLLWTKHLXFR-WZRBSPASSA-N 1 0 318.826 1.431 10 0 DDAERO O=C(c1ccc(Br)cc1O)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090321084 185291011 /nfs/dbraw/zinc/29/10/11/185291011.db2.gz RQMXPYXFMKGXDK-RKDXNWHRSA-N 1 0 311.179 1.446 10 0 DDAERO C[C@@]1(C(=O)NCc2ccc(Br)cc2)COC[C@@H]1[NH3+] ZINC000090581367 185304951 /nfs/dbraw/zinc/30/49/51/185304951.db2.gz ZMQUFMJDIJDQAF-WCQYABFASA-N 1 0 313.195 1.429 10 0 DDAERO C[C@]1(C(=O)N2CCc3sccc3[C@@H]2C2CC2)COC[C@@H]1[NH3+] ZINC000090591176 185305478 /nfs/dbraw/zinc/30/54/78/185305478.db2.gz MYNDMRCTBDZBCR-DZKIICNBSA-N 1 0 306.431 1.948 10 0 DDAERO C[C@@]1(C(=O)Nc2ccc(OC(F)F)c(F)c2)COC[C@@H]1[NH3+] ZINC000090589901 185305576 /nfs/dbraw/zinc/30/55/76/185305576.db2.gz ARCKAPNRAIEWPX-GXFFZTMASA-N 1 0 304.268 1.729 10 0 DDAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccsc1C(=O)OC ZINC000090543425 185302081 /nfs/dbraw/zinc/30/20/81/185302081.db2.gz PNXVIJIMEHSUJR-GXSJLCMTSA-N 1 0 312.391 1.488 10 0 DDAERO CCOC(=O)C(=O)N1CCCSC[C@H]1C[NH+]1CCCCC1 ZINC000090701303 185310456 /nfs/dbraw/zinc/31/04/56/185310456.db2.gz NAPSFKXNOGSBAG-CYBMUJFWSA-N 1 0 314.451 1.370 10 0 DDAERO CC[NH2+]C[C@@H](C)c1c(C)nn([C@@]2(C)CCS(=O)(=O)C2)c1C ZINC000092321810 185312286 /nfs/dbraw/zinc/31/22/86/185312286.db2.gz HKABOVZPEBHCRZ-ABAIWWIYSA-N 1 0 313.467 1.747 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C\c2ccc(Cl)nc2)C[C@@H]1C ZINC000255332293 282247836 /nfs/dbraw/zinc/24/78/36/282247836.db2.gz OZQHNVNYNLKOKT-ODBHDECVSA-N 1 0 323.824 1.662 10 0 DDAERO CC[C@H](C)[NH+]1CCN(C[C@H](O)COCc2ccccc2)CC1 ZINC000295887771 529700425 /nfs/dbraw/zinc/70/04/25/529700425.db2.gz CNGULGHCCHMDAP-WMZOPIPTSA-N 1 0 306.450 1.980 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(C(=O)/C=C\c2cnc(C)s2)CC1 ZINC000255511257 282261859 /nfs/dbraw/zinc/26/18/59/282261859.db2.gz PHGVKKXPIMVIGJ-ZFDPJTLLSA-N 1 0 309.435 1.380 10 0 DDAERO CCCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1cn(CC)cn1 ZINC000092889975 185348041 /nfs/dbraw/zinc/34/80/41/185348041.db2.gz FMUUKJNOAPPNPB-GFCCVEGCSA-N 1 0 300.428 1.056 10 0 DDAERO Cc1cc(=O)n(C)cc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000092927860 185349601 /nfs/dbraw/zinc/34/96/01/185349601.db2.gz CCFVZUPOBVLWFW-STQMWFEESA-N 1 0 304.394 1.394 10 0 DDAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCc2ccccn2)CC1 ZINC000181526815 199311510 /nfs/dbraw/zinc/31/15/10/199311510.db2.gz SCNAGUVZIMMRAM-AWEZNQCLSA-N 1 0 320.437 1.316 10 0 DDAERO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[C@H](C)[NH3+] ZINC000037725338 190665278 /nfs/dbraw/zinc/66/52/78/190665278.db2.gz CWASZMUPNWUZCH-DTWKUNHWSA-N 1 0 315.211 1.852 10 0 DDAERO CC(C)[NH2+]C[C@H]1CCCCN1S(=O)(=O)C[C@@H]1CCCO1 ZINC000111720748 185631125 /nfs/dbraw/zinc/63/11/25/185631125.db2.gz MKGCFXIVPQTTHE-KGLIPLIRSA-N 1 0 304.456 1.348 10 0 DDAERO CC[NH2+]Cc1cc(Br)ccc1OC[C@@H](O)COC ZINC000069053429 190795359 /nfs/dbraw/zinc/79/53/59/190795359.db2.gz ALCCSAHVPCAGSP-LBPRGKRZSA-N 1 0 318.211 1.945 10 0 DDAERO Clc1cnc(N2CCN([C@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000261582585 282541760 /nfs/dbraw/zinc/54/17/60/282541760.db2.gz GRJBOADUVXKNPB-NSHDSACASA-N 1 0 301.221 1.872 10 0 DDAERO O=S(=O)(NCC[C@H]1CCC[NH2+]C1)c1cc(F)c(F)cc1F ZINC000123858413 185849586 /nfs/dbraw/zinc/84/95/86/185849586.db2.gz XKXWGAUOLLPGSR-SECBINFHSA-N 1 0 322.352 1.772 10 0 DDAERO C[NH2+]CC[C@H]1CCCCN1S(=O)(=O)CCc1ccccn1 ZINC000070192270 190870098 /nfs/dbraw/zinc/87/00/98/190870098.db2.gz YZTCFZBADUGTJA-OAHLLOKOSA-N 1 0 311.451 1.418 10 0 DDAERO CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000286996176 219260569 /nfs/dbraw/zinc/26/05/69/219260569.db2.gz TUOAVWVBVPMFGY-SECBINFHSA-N 1 0 321.805 1.446 10 0 DDAERO CCC[NH2+]C[C@H](CCOCCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000070483032 190900469 /nfs/dbraw/zinc/90/04/69/190900469.db2.gz WRSPNPQKMXHEDV-UONOGXRCSA-N 1 0 307.456 1.090 10 0 DDAERO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000070579422 190907167 /nfs/dbraw/zinc/90/71/67/190907167.db2.gz GOWZPEJFQRMEPY-RYUDHWBXSA-N 1 0 303.189 1.639 10 0 DDAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)Cc2ncc[nH]2)cc1 ZINC000080531919 192165394 /nfs/dbraw/zinc/16/53/94/192165394.db2.gz NNJKEEKXCXBAGT-LLVKDONJSA-N 1 0 308.407 1.511 10 0 DDAERO CCCNc1ccncc1S(=O)(=O)NCC[NH+](CC)CC ZINC000071227249 190946534 /nfs/dbraw/zinc/94/65/34/190946534.db2.gz CYIKOUINZIEEBQ-UHFFFAOYSA-N 1 0 314.455 1.524 10 0 DDAERO COc1ccc(C[C@](C)([NH3+])CCCS(C)(=O)=O)cc1OC ZINC000083805338 192383698 /nfs/dbraw/zinc/38/36/98/192383698.db2.gz KYKLVTIZIBIBTA-OAHLLOKOSA-N 1 0 315.435 1.789 10 0 DDAERO NS(=O)(=O)c1ccc(N2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000071391203 190965669 /nfs/dbraw/zinc/96/56/69/190965669.db2.gz NRPRTPHHPZCABJ-JSGCOSHPSA-N 1 0 313.398 1.194 10 0 DDAERO C[NH2+][C@@H]1CC[C@H](S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000084434038 192430518 /nfs/dbraw/zinc/43/05/18/192430518.db2.gz VJGBPAXJQKTTOP-MFKMUULPSA-N 1 0 317.432 1.004 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cccc(N(C)C)n1 ZINC000164365410 186157257 /nfs/dbraw/zinc/15/72/57/186157257.db2.gz LJRYSDOXOLFSNE-OAHLLOKOSA-N 1 0 319.453 1.773 10 0 DDAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000186030905 186233528 /nfs/dbraw/zinc/23/35/28/186233528.db2.gz AQOYEFMSYQJTSW-AEFFLSMTSA-N 1 0 318.417 1.177 10 0 DDAERO Cn1ccnc1[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)C1CC1 ZINC000183328155 282751697 /nfs/dbraw/zinc/75/16/97/282751697.db2.gz DYZPSUDUPPMGEV-HOCLYGCPSA-N 1 0 312.421 1.920 10 0 DDAERO COC[C@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000172132628 198043786 /nfs/dbraw/zinc/04/37/86/198043786.db2.gz JZJIVCJCIYVCHU-CVEARBPZSA-N 1 0 321.421 1.346 10 0 DDAERO O=c1c2ccccc2ncn1CC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000172247423 198065083 /nfs/dbraw/zinc/06/50/83/198065083.db2.gz IGPHAEOSTQHWKU-AWEZNQCLSA-N 1 0 324.388 1.325 10 0 DDAERO O=C(Nc1cnn(CC(F)(F)F)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000172575875 198118382 /nfs/dbraw/zinc/11/83/82/198118382.db2.gz BAKQMRBDHZFWRB-NSHDSACASA-N 1 0 317.315 1.757 10 0 DDAERO O=C(c1cc(=O)[nH]c2cc(F)ccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172542609 198112833 /nfs/dbraw/zinc/11/28/33/198112833.db2.gz HQCQTMCXVWNPKY-GFCCVEGCSA-N 1 0 315.348 1.587 10 0 DDAERO CC(C)C(=O)NCC(C)(C)[NH2+]C[C@@H](O)COc1ccccc1 ZINC000028265713 352228345 /nfs/dbraw/zinc/22/83/45/352228345.db2.gz BQYSVNWXLVDCBO-CQSZACIVSA-N 1 0 308.422 1.567 10 0 DDAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)CCOc2ccc(Cl)cc2)C1 ZINC000040634640 352301606 /nfs/dbraw/zinc/30/16/06/352301606.db2.gz WKANZSASBRDWRD-ZIAGYGMSSA-N 1 0 312.797 1.554 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(C[C@@H](O)COc2cccc(C)c2)CC1 ZINC000174078418 198288165 /nfs/dbraw/zinc/28/81/65/198288165.db2.gz FMGNORFOFWODHL-IAGOWNOFSA-N 1 0 322.449 1.123 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(CC(=O)N(C)Cc2ccccc2)CC1 ZINC000174091152 198290133 /nfs/dbraw/zinc/29/01/33/198290133.db2.gz RMVKBDNHRQDQMU-QGZVFWFLSA-N 1 0 319.449 1.034 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCc2ccccc2)C[C@@H]1C ZINC000174298208 198316134 /nfs/dbraw/zinc/31/61/34/198316134.db2.gz HUFQTUITMMQNBL-JKSUJKDBSA-N 1 0 304.434 1.923 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCn1ccnc1 ZINC000174609187 198358427 /nfs/dbraw/zinc/35/84/27/198358427.db2.gz UKZKTDJPSHXEMT-HUUCEWRRSA-N 1 0 305.426 1.541 10 0 DDAERO COCCC(=O)N1CC[C@](O)(c2ccccc2)[C@H]([NH+](C)C)C1 ZINC000097942704 353921263 /nfs/dbraw/zinc/92/12/63/353921263.db2.gz GOAJAVDIPHLUSK-WBVHZDCISA-N 1 0 306.406 1.073 10 0 DDAERO CC1(C)O[C@H]2O[C@H](C[N@@H+]3CCC[C@@H]3c3ccccn3)[C@@H](O)[C@H]2O1 ZINC000106385112 353939288 /nfs/dbraw/zinc/93/92/88/353939288.db2.gz BROBLMZLNSWKNT-OXGONZEZSA-N 1 0 320.389 1.456 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cc3cc(F)ccc3o2)CCO1 ZINC000117807611 353996294 /nfs/dbraw/zinc/99/62/94/353996294.db2.gz JJDJWXYTKMWPOF-CYBMUJFWSA-N 1 0 306.337 1.975 10 0 DDAERO O=[S@@](CC[NH2+]C[C@@H](O)COc1ccccc1)c1ccccc1 ZINC000169345699 354251746 /nfs/dbraw/zinc/25/17/46/354251746.db2.gz LQPGNTVTIGBWIQ-QRQCRPRQSA-N 1 0 319.426 1.824 10 0 DDAERO COc1nc(NCC2CC[NH2+]CC2)ncc1Br ZINC000235036389 354331610 /nfs/dbraw/zinc/33/16/10/354331610.db2.gz OYVLDJLWKMVUTJ-UHFFFAOYSA-N 1 0 301.188 1.659 10 0 DDAERO OC[C@@H]1C[C@H]1[NH2+]Cc1cccc(I)c1 ZINC000308531059 354473055 /nfs/dbraw/zinc/47/30/55/354473055.db2.gz ZVPYUQLONJNKML-GXSJLCMTSA-N 1 0 303.143 1.762 10 0 DDAERO CCCC[C@@H](COC)[NH2+][C@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000328650605 354558901 /nfs/dbraw/zinc/55/89/01/354558901.db2.gz VONBAPIMOJXGDN-KBPBESRZSA-N 1 0 308.426 1.946 10 0 DDAERO Cc1ccc(CN(C)[C@H]2C[NH2+]C[C@@H]2O)c(-c2cnn(C)c2)c1 ZINC000584767835 354762237 /nfs/dbraw/zinc/76/22/37/354762237.db2.gz LBEAFQULDQKQNG-IRXDYDNUSA-N 1 0 300.406 1.160 10 0 DDAERO Cn1ccc(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000074962807 191397092 /nfs/dbraw/zinc/39/70/92/191397092.db2.gz QOJGGMBYDMPTFS-UHFFFAOYSA-N 1 0 312.417 1.958 10 0 DDAERO NS(=O)(=O)[C@@H]1CC[C@H](c2cccc(C(F)(F)F)c2)[NH2+]C1 ZINC000080097607 192000402 /nfs/dbraw/zinc/00/04/02/192000402.db2.gz COXSLPDJUNXKEQ-GHMZBOCLSA-N 1 0 308.325 1.787 10 0 DDAERO Cc1csc([C@@H](C)NS(=O)(=O)c2cc[nH+]c(NN)c2)n1 ZINC000080314783 192022818 /nfs/dbraw/zinc/02/28/18/192022818.db2.gz ICHJNDBEIHDULT-MRVPVSSYSA-N 1 0 313.408 1.172 10 0 DDAERO Cc1csc([C@H](C)NS(=O)(=O)CC[C@@H]2CCCC[NH2+]2)n1 ZINC000080315501 192023309 /nfs/dbraw/zinc/02/33/09/192023309.db2.gz RDUQIDGEZVGRFU-RYUDHWBXSA-N 1 0 317.480 1.964 10 0 DDAERO COC(=O)CCN(CC(F)(F)F)C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000080996514 192211732 /nfs/dbraw/zinc/21/17/32/192211732.db2.gz SFLNEOJIWZOGOF-JTQLQIEISA-N 1 0 310.316 1.473 10 0 DDAERO [NH3+]Cc1cnc(N2CCn3c(nnc3C(F)(F)F)C2)s1 ZINC000081543992 192287942 /nfs/dbraw/zinc/28/79/42/192287942.db2.gz NKXNJAIEGGRRQG-UHFFFAOYSA-N 1 0 304.301 1.232 10 0 DDAERO CCC[C@H]([NH3+])C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)OC ZINC000236866835 202043481 /nfs/dbraw/zinc/04/34/81/202043481.db2.gz DNCFXQUXXBRLKH-CABCVRRESA-N 1 0 306.406 1.570 10 0 DDAERO CCC1(CC)CN([C@@H](C)CS(C)(=O)=O)[C@@H](C(C)C)C[NH2+]1 ZINC000086268262 192557026 /nfs/dbraw/zinc/55/70/26/192557026.db2.gz GUJFBWCHJAKHDQ-UONOGXRCSA-N 1 0 304.500 1.908 10 0 DDAERO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C1 ZINC000237067175 202141415 /nfs/dbraw/zinc/14/14/15/202141415.db2.gz OUZYRFINQPHGSX-HOCLYGCPSA-N 1 0 311.470 1.631 10 0 DDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](O)c1cc(OC)ccc1OC ZINC000237075387 202145320 /nfs/dbraw/zinc/14/53/20/202145320.db2.gz VAPNZVWUQSEPOH-PSOPSSQASA-N 1 0 310.394 1.227 10 0 DDAERO CN(CCC[NH+](C)C)S(=O)(=O)c1cc(N)cc(F)c1F ZINC000086583169 192585928 /nfs/dbraw/zinc/58/59/28/192585928.db2.gz URXLZRAGFMVAQR-UHFFFAOYSA-N 1 0 307.366 1.119 10 0 DDAERO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000237100750 202153776 /nfs/dbraw/zinc/15/37/76/202153776.db2.gz AERNYVSGHHFTCW-OCCSQVGLSA-N 1 0 304.394 1.407 10 0 DDAERO CC(C)[C@H]([NH3+])CCNc1ccc(I)cn1 ZINC000596027764 356748935 /nfs/dbraw/zinc/74/89/35/356748935.db2.gz WUKQWJVHDOGPCE-SNVBAGLBSA-N 1 0 319.190 1.893 10 0 DDAERO COCC[NH2+]CC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000237228527 202196502 /nfs/dbraw/zinc/19/65/02/202196502.db2.gz IHDWJUSWWLSMGH-GFCCVEGCSA-N 1 0 304.312 1.512 10 0 DDAERO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(-c3ncon3)cc2)C1 ZINC000237259166 202208656 /nfs/dbraw/zinc/20/86/56/202208656.db2.gz FHDXSSPODOKUGE-LBPRGKRZSA-N 1 0 300.362 1.808 10 0 DDAERO CCC[NH2+]Cc1[nH]nc(C)c1S(=O)(=O)N1CCCC[C@H]1C ZINC000088906861 192651963 /nfs/dbraw/zinc/65/19/63/192651963.db2.gz HNWBETKEGQNRFN-LLVKDONJSA-N 1 0 314.455 1.781 10 0 DDAERO CCCN1CCN(S(=O)(=O)c2cc(C[NH2+]C)oc2C)CC1 ZINC000088925225 192660360 /nfs/dbraw/zinc/66/03/60/192660360.db2.gz STMQDACDSVYVRI-UHFFFAOYSA-N 1 0 315.439 1.024 10 0 DDAERO CCC[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)[C@@H](C)C1CC1 ZINC000088962492 192670430 /nfs/dbraw/zinc/67/04/30/192670430.db2.gz NAAGAZJMIXIAGZ-ZFWWWQNUSA-N 1 0 317.499 1.816 10 0 DDAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)N[C@@H](C)Cc1ccco1 ZINC000088998548 192688242 /nfs/dbraw/zinc/68/82/42/192688242.db2.gz SEYFJBJUFNQSID-QWHCGFSZSA-N 1 0 315.439 1.119 10 0 DDAERO C[NH2+]CCn1cc(S(=O)(=O)N(C)[C@@H](C)C(C)(C)C)cn1 ZINC000089007245 192692987 /nfs/dbraw/zinc/69/29/87/192692987.db2.gz LWIDHUDRVWFHPX-NSHDSACASA-N 1 0 302.444 1.158 10 0 DDAERO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NCCCCC1CCCC1 ZINC000237321246 202229537 /nfs/dbraw/zinc/22/95/37/202229537.db2.gz YOWLPGMVWITDBI-CYBMUJFWSA-N 1 0 304.456 1.225 10 0 DDAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(N2CCCC2=O)cc1 ZINC000180487297 199165174 /nfs/dbraw/zinc/16/51/74/199165174.db2.gz FHATVSAFBLLECX-WMLDXEAASA-N 1 0 317.433 1.795 10 0 DDAERO C[NH2+]CCn1cc(S(=O)(=O)N(C)[C@H](C)C(C)(C)C)cn1 ZINC000089007247 192694139 /nfs/dbraw/zinc/69/41/39/192694139.db2.gz LWIDHUDRVWFHPX-LLVKDONJSA-N 1 0 302.444 1.158 10 0 DDAERO NC(=O)c1cc(Br)cc2c(C3CC[NH2+]CC3)n[nH]c21 ZINC000079034531 283364673 /nfs/dbraw/zinc/36/46/73/283364673.db2.gz YDZAWELHOJEQAK-UHFFFAOYSA-N 1 0 323.194 1.891 10 0 DDAERO CCC[NH2+]Cc1c(C)[nH]nc1S(=O)(=O)N[C@H]1CC1(C)C ZINC000089014199 192698350 /nfs/dbraw/zinc/69/83/50/192698350.db2.gz JAUZUQNGJIQTQJ-NSHDSACASA-N 1 0 300.428 1.295 10 0 DDAERO CC[NH2+]CCCN(C)S(=O)(=O)N1CCC(C)(CC)CC1 ZINC000089028409 192708385 /nfs/dbraw/zinc/70/83/85/192708385.db2.gz UAAYWDABYFABBD-UHFFFAOYSA-N 1 0 305.488 1.675 10 0 DDAERO CC[NH2+][C@@H](Cc1c(Cl)c(C)nn1CC)[C@H]1COCCO1 ZINC000089298153 192760613 /nfs/dbraw/zinc/76/06/13/192760613.db2.gz YUSHFVYILUSAHD-WCQYABFASA-N 1 0 301.818 1.801 10 0 DDAERO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCCn2nc(C)cc2C)C1(C)C ZINC000186743014 200002619 /nfs/dbraw/zinc/00/26/19/200002619.db2.gz KEIBLERJJTWVIM-RHSMWYFYSA-N 1 0 322.453 1.539 10 0 DDAERO C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)c1ccc(S(C)(=O)=O)cc1 ZINC000089747030 192856398 /nfs/dbraw/zinc/85/63/98/192856398.db2.gz 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C[NH2+][C@@H](Cc1cccnc1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700215 193294129 /nfs/dbraw/zinc/29/41/29/193294129.db2.gz KLPRTSZODRNVQP-CABCVRRESA-N 1 0 311.451 1.274 10 0 DDAERO CC[C@](C)([C@H](N)C[C@@H]1CCCN(S(C)(=O)=O)C1)[NH+](C)C ZINC000093700724 193295009 /nfs/dbraw/zinc/29/50/09/193295009.db2.gz VRNZYCZWVOUPEV-BFHYXJOUSA-N 1 0 305.488 1.106 10 0 DDAERO CC(C)C[NH2+]C[C@@](C)(O)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702898 193295833 /nfs/dbraw/zinc/29/58/33/193295833.db2.gz YAZKRRHVJBOTNP-KBPBESRZSA-N 1 0 306.472 1.045 10 0 DDAERO CCC[NH2+][C@@H](C)[C@@H]1CCCN(S(=O)(=O)CCOC(C)C)C1 ZINC000093664587 193286722 /nfs/dbraw/zinc/28/67/22/193286722.db2.gz LYSLERJWMFGPFP-LSDHHAIUSA-N 1 0 320.499 1.841 10 0 DDAERO CCCN[C@]1(C(=O)OCC)CC[C@H]([N@H+](CC)CCOC)C1 ZINC000093827374 193313281 /nfs/dbraw/zinc/31/32/81/193313281.db2.gz IEAJWGPRRDOKKQ-GOEBONIOSA-N 1 0 300.443 1.809 10 0 DDAERO Cc1cc(C)nc(S[C@@H]2CC[C@@]([NH2+]C3CC3)(C(N)=O)C2)n1 ZINC000093852367 193318417 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Cc1cc(F)c(N)cc1S(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000094779098 193396765 /nfs/dbraw/zinc/39/67/65/193396765.db2.gz NUSKSIAAWFERNS-UHFFFAOYSA-N 1 0 317.430 1.582 10 0 DDAERO O=S(=O)(C[C@@H]1CCC[NH2+]C1)c1cccc(Br)n1 ZINC000095092377 193423316 /nfs/dbraw/zinc/42/33/16/193423316.db2.gz POWIJKCDVSJVPY-SECBINFHSA-N 1 0 319.224 1.617 10 0 DDAERO O=C(N[C@H]1CCOc2ccccc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247218651 284215417 /nfs/dbraw/zinc/21/54/17/284215417.db2.gz BLFWNONAKLXHMP-ZFWWWQNUSA-N 1 0 301.390 2.000 10 0 DDAERO Cn1c(Cl)c(Cl)cc1C(=O)N1C[C@@H](O)C[C@H]1C[NH+](C)C ZINC000097251038 193698826 /nfs/dbraw/zinc/69/88/26/193698826.db2.gz HHWVIAGVMVPDRE-IUCAKERBSA-N 1 0 320.220 1.469 10 0 DDAERO [NH3+]Cc1cc(S(=O)(=O)NCc2ccc(F)cc2)ccc1F ZINC000020189139 182195701 /nfs/dbraw/zinc/19/57/01/182195701.db2.gz UYELAVLXGLMDOL-UHFFFAOYSA-N 1 0 312.341 1.902 10 0 DDAERO CCCNC(=O)COc1ccc(Br)cc1C[NH3+] ZINC000020483456 182223128 /nfs/dbraw/zinc/22/31/28/182223128.db2.gz FAWTXPSTMXRPIE-UHFFFAOYSA-N 1 0 301.184 1.813 10 0 DDAERO Cc1cc(Br)cc(C)c1NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000020434592 182217377 /nfs/dbraw/zinc/21/73/77/182217377.db2.gz KSBVWCBHWWWGOC-WDEREUQCSA-N 1 0 313.195 1.727 10 0 DDAERO Cn1ncc(NC[C@]2(C)CCC[NH2+]C2)c(Br)c1=O ZINC000160020913 197380547 /nfs/dbraw/zinc/38/05/47/197380547.db2.gz JRBIBZGHJVXHKZ-GFCCVEGCSA-N 1 0 315.215 1.344 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nn(C)cc1Br ZINC000393613534 307295124 /nfs/dbraw/zinc/29/51/24/307295124.db2.gz KEBZEHVYBJLFRS-GHMZBOCLSA-N 1 0 313.243 1.851 10 0 DDAERO CCOc1cc(C[NH2+]CCN(CC)CC)ccc1OCCO ZINC000020968400 182256975 /nfs/dbraw/zinc/25/69/75/182256975.db2.gz MMLGVKKXSRRMAO-UHFFFAOYSA-N 1 0 310.438 1.888 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1 ZINC000021788605 182288928 /nfs/dbraw/zinc/28/89/28/182288928.db2.gz HOIXCSGXKLKEEE-UHFFFAOYSA-N 1 0 308.378 1.805 10 0 DDAERO C[NH2+][C@@H](Cc1cc(F)cc(F)c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000097923985 193766886 /nfs/dbraw/zinc/76/68/86/193766886.db2.gz RYZNSECYIPULTC-IINYFYTJSA-N 1 0 303.374 1.920 10 0 DDAERO COC[C@@H](C)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000103435586 248246223 /nfs/dbraw/zinc/24/62/23/248246223.db2.gz OWEIROVESWSBMA-CQSZACIVSA-N 1 0 308.422 1.916 10 0 DDAERO CCOC(=O)CC[C@H](C)NC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000121140768 248270005 /nfs/dbraw/zinc/27/00/05/248270005.db2.gz CLGAYGBQKCTGCL-KBPBESRZSA-N 1 0 313.442 1.844 10 0 DDAERO COc1cc(C[NH3+])cc(Cl)c1O[C@@H]1CCS(=O)(=O)C1 ZINC000038084420 182987939 /nfs/dbraw/zinc/98/79/39/182987939.db2.gz NFALQDGITZWLET-SECBINFHSA-N 1 0 305.783 1.373 10 0 DDAERO CCn1cc([C@H]2OCC[C@@H]2NC(=O)N[C@H]2CCC[NH2+][C@H]2C)cn1 ZINC000333519901 249009435 /nfs/dbraw/zinc/00/94/35/249009435.db2.gz GMXSRNALXQXPIM-CYUUQNCZSA-N 1 0 321.425 1.173 10 0 DDAERO CCCNS(=O)(=O)c1ccccc1N[C@H]1CCC[N@H+](C)C1 ZINC000040673418 183115931 /nfs/dbraw/zinc/11/59/31/183115931.db2.gz JZDWCKDHHDPKKO-ZDUSSCGKSA-N 1 0 311.451 1.881 10 0 DDAERO Cc1ccnc(Nc2nc[nH+]c(NN3CCN(C)CC3)c2N)c1 ZINC000040701313 183119618 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CN(C)S(=O)(=O)c1ccccc1N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750547 183128937 /nfs/dbraw/zinc/12/89/37/183128937.db2.gz FCJAOMLPUAVPGC-YHWZYXNKSA-N 1 0 309.435 1.395 10 0 DDAERO COCCNc1ncnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1N ZINC000040760790 183130502 /nfs/dbraw/zinc/13/05/02/183130502.db2.gz BHWYOMOOTGOUIW-UHFFFAOYSA-N 1 0 322.457 1.838 10 0 DDAERO CC[NH+](CC)C1CCN(S(=O)(=O)c2cc(N)cs2)CC1 ZINC000041068429 183162470 /nfs/dbraw/zinc/16/24/70/183162470.db2.gz WOXSNQCAWMSSAS-UHFFFAOYSA-N 1 0 317.480 1.825 10 0 DDAERO CC(C)c1ccc([C@@H](C)NS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000040860605 183144277 /nfs/dbraw/zinc/14/42/77/183144277.db2.gz VXSLCJGKUDQBRC-CYBMUJFWSA-N 1 0 311.451 1.611 10 0 DDAERO C[NH+](C)CCNC(=O)[C@H]1CCC(=O)N1c1ccc(Cl)cc1 ZINC000041459682 183192480 /nfs/dbraw/zinc/19/24/80/183192480.db2.gz XUULAQPNBSSJDR-CYBMUJFWSA-N 1 0 309.797 1.513 10 0 DDAERO CN(CC(=O)NCCC[NH+](C)C)c1ncnc2ccccc21 ZINC000041498922 183194519 /nfs/dbraw/zinc/19/45/19/183194519.db2.gz YEEQPKWCTHZARF-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/26/84/39/183268439.db2.gz SQXSQVGVFYOQCH-CQSZACIVSA-N 1 0 304.456 1.207 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N(CCO)C2CCCC2)cc1 ZINC000042526729 183280249 /nfs/dbraw/zinc/28/02/49/183280249.db2.gz QZOHGIKIGBZLAF-UHFFFAOYSA-N 1 0 312.435 1.332 10 0 DDAERO C[C@@H]([NH3+])[C@H](c1ccccc1F)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043044135 183331950 /nfs/dbraw/zinc/33/19/50/183331950.db2.gz SLZCDBKWNRABLL-JTNHKYCSSA-N 1 0 300.399 1.333 10 0 DDAERO CC[N@@H+]1CC[C@@H](CNc2nc3c(cc2C(N)=S)CCC3)C1 ZINC000043408653 183359661 /nfs/dbraw/zinc/35/96/61/183359661.db2.gz URLHGUWFKNKXLZ-NSHDSACASA-N 1 0 304.463 1.958 10 0 DDAERO CC[C@@H]([NH3+])[C@H](c1ccsc1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043118560 183339051 /nfs/dbraw/zinc/33/90/51/183339051.db2.gz MVCKNYBZIFJTKE-UPJWGTAASA-N 1 0 302.465 1.645 10 0 DDAERO CC[NH2+][C@@H](c1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300933 183352236 /nfs/dbraw/zinc/35/22/36/183352236.db2.gz CISRBRFYUFGJKN-DOMZBBRYSA-N 1 0 313.419 1.789 10 0 DDAERO COC(=O)CCC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000043327030 183355371 /nfs/dbraw/zinc/35/53/71/183355371.db2.gz VZQMSNNVCRRTFI-GFCCVEGCSA-N 1 0 300.399 1.929 10 0 DDAERO Nc1cc(C(F)(F)F)ccc1SCC(=O)N1CC[NH2+]CC1 ZINC000043403248 183358657 /nfs/dbraw/zinc/35/86/57/183358657.db2.gz BXRVVDUBYSPLAC-UHFFFAOYSA-N 1 0 319.352 1.812 10 0 DDAERO Cc1c(N)cc(S(=O)(=O)NCC(C)(C)[NH+](C)C)cc1Cl ZINC000043411111 183360135 /nfs/dbraw/zinc/36/01/35/183360135.db2.gz DBLJRZNEHGLJFS-UHFFFAOYSA-N 1 0 319.858 1.849 10 0 DDAERO [NH3+]C[C@@H]1CCCN(CC(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000044530814 183419396 /nfs/dbraw/zinc/41/93/96/183419396.db2.gz ZVJVWXYHWJGJCL-VIFPVBQESA-N 1 0 301.312 1.713 10 0 DDAERO COc1cccc([C@@H](CNC(=O)[C@H](C)C(N)=S)[NH+](C)C)c1 ZINC000044829396 183440583 /nfs/dbraw/zinc/44/05/83/183440583.db2.gz QTAXADXETKBJBC-ZWNOBZJWSA-N 1 0 309.435 1.336 10 0 DDAERO CCCc1cc(=O)[nH]c(SCCC[C@](C)([NH2+]C)C(N)=O)n1 ZINC000045581457 183516909 /nfs/dbraw/zinc/51/69/09/183516909.db2.gz MBZDXWMGAOYOCV-AWEZNQCLSA-N 1 0 312.439 1.058 10 0 DDAERO CO[C@H]1C[C@@H](C(N)=O)N(CCOc2cccc3ccccc32)C1 ZINC000284610079 218099081 /nfs/dbraw/zinc/09/90/81/218099081.db2.gz KHTPNKZPYJFNMT-HOCLYGCPSA-N 1 0 314.385 1.793 10 0 DDAERO COCc1cc(N2CCC[NH2+]CC2)nc(-n2nc(C)cc2C)n1 ZINC000045947446 183538810 /nfs/dbraw/zinc/53/88/10/183538810.db2.gz PPCJBZDOEOSGRG-UHFFFAOYSA-N 1 0 316.409 1.225 10 0 DDAERO CC[C@@H]1CN(CCOc2ccc(OC)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000105825092 194136871 /nfs/dbraw/zinc/13/68/71/194136871.db2.gz NDGPZHGTEANBJO-HZPDHXFCSA-N 1 0 322.449 1.851 10 0 DDAERO CCN(C(=O)[C@@H](C)[NH2+][C@H]1CCc2ncnn2C1)c1ccccc1 ZINC000105871155 194151596 /nfs/dbraw/zinc/15/15/96/194151596.db2.gz VHNVSJQZNYPMRR-KGLIPLIRSA-N 1 0 313.405 1.624 10 0 DDAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)N(C)Cc1ccccc1 ZINC000105870774 194152142 /nfs/dbraw/zinc/15/21/42/194152142.db2.gz YHDNTFZKDCNSDT-HIFRSBDPSA-N 1 0 313.405 1.230 10 0 DDAERO CC[C@H]([NH2+]C[C@H](c1cccs1)N1CCO[C@H](C)C1)C(N)=O ZINC000105874973 194153578 /nfs/dbraw/zinc/15/35/78/194153578.db2.gz CPSKAOINQFGTTG-FRRDWIJNSA-N 1 0 311.451 1.363 10 0 DDAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105909172 194166812 /nfs/dbraw/zinc/16/68/12/194166812.db2.gz IJIFOTWZTWSSSL-AWEZNQCLSA-N 1 0 308.426 1.165 10 0 DDAERO C[NH+](C)C[C@@H]1CN(CC(=O)N2CCCc3ccccc32)CCO1 ZINC000105927656 194172406 /nfs/dbraw/zinc/17/24/06/194172406.db2.gz SHTYOHFFUOFCBM-MRXNPFEDSA-N 1 0 317.433 1.228 10 0 DDAERO Cc1ccc(NC(=O)[C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)cc1F ZINC000105932595 194173526 /nfs/dbraw/zinc/17/35/26/194173526.db2.gz YVSYGVJPQPJKQM-OCCSQVGLSA-N 1 0 309.385 1.381 10 0 DDAERO CO[C@H]1C[C@@H](CN(C)C(=O)c2cccc3[nH]ncc32)[N@H+](C)C1 ZINC000285133636 218304553 /nfs/dbraw/zinc/30/45/53/218304553.db2.gz WMTHCKRMOQDMAL-RYUDHWBXSA-N 1 0 302.378 1.354 10 0 DDAERO CCCN([C@](C)(CC)C[NH3+])S(=O)(=O)c1cn(CC)c(C)n1 ZINC000050265262 183779868 /nfs/dbraw/zinc/77/98/68/183779868.db2.gz SPMDXJNBMGBKPQ-CQSZACIVSA-N 1 0 316.471 1.740 10 0 DDAERO Brc1ccc(-c2nc(CN3CC[NH2+]CC3)no2)o1 ZINC000109473200 194266527 /nfs/dbraw/zinc/26/65/27/194266527.db2.gz RNPTUBJOKMRKTJ-UHFFFAOYSA-N 1 0 313.155 1.497 10 0 DDAERO CC(C)(C(N)=S)[NH+]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000109466194 194266810 /nfs/dbraw/zinc/26/68/10/194266810.db2.gz AQMHLBHWVIRVGS-YNEHKIRRSA-N 1 0 309.479 1.632 10 0 DDAERO CCC[C@@H](C(N)=S)[NH+]1CCN(c2cc(C)nc(C)n2)CC1 ZINC000109471702 194266921 /nfs/dbraw/zinc/26/69/21/194266921.db2.gz MCDRXHCSQHYZFU-ZDUSSCGKSA-N 1 0 307.467 1.670 10 0 DDAERO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccccc2NN)C1 ZINC000110386709 194327263 /nfs/dbraw/zinc/32/72/63/194327263.db2.gz IZYMHUSLURCUGI-GFCCVEGCSA-N 1 0 312.439 1.077 10 0 DDAERO C[NH2+][C@H](C)C(=O)NCCc1ccc(OC(F)F)c(OC)c1 ZINC000054076296 183922652 /nfs/dbraw/zinc/92/26/52/183922652.db2.gz AZQNPNODCJLYDI-SECBINFHSA-N 1 0 302.321 1.563 10 0 DDAERO CCn1cnnc1[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC000110753748 194357404 /nfs/dbraw/zinc/35/74/04/194357404.db2.gz UMNBHWUROMKERW-HUUCEWRRSA-N 1 0 319.453 1.878 10 0 DDAERO O=C1CC[C@H]([NH2+]C[C@H](O)c2cc(Cl)ccc2Cl)CN1 ZINC000111019793 194384769 /nfs/dbraw/zinc/38/47/69/194384769.db2.gz JKIITTAXZSZZLK-CABZTGNLSA-N 1 0 303.189 1.895 10 0 DDAERO CCC[NH2+][C@@H](C)c1sc(N2CCS(=O)(=O)CC2)nc1C ZINC000054904099 183954020 /nfs/dbraw/zinc/95/40/20/183954020.db2.gz RFSZAYOMAKDOOZ-JTQLQIEISA-N 1 0 317.480 1.747 10 0 DDAERO CN(C)C(=O)C1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000057942953 184063498 /nfs/dbraw/zinc/06/34/98/184063498.db2.gz MGEWODVXZHFYOU-KRWDZBQOSA-N 1 0 320.433 1.364 10 0 DDAERO CC[NH+](CC)CCCNC(=O)COc1ccc2c(c1)OCO2 ZINC000059323645 184136745 /nfs/dbraw/zinc/13/67/45/184136745.db2.gz AZTJJYXIPNVPLA-UHFFFAOYSA-N 1 0 308.378 1.642 10 0 DDAERO C[NH2+][C@H](Cc1cc(F)ccc1Br)CS(C)(=O)=O ZINC000060705677 184154594 /nfs/dbraw/zinc/15/45/94/184154594.db2.gz BAOPSUWVOHKGGE-SNVBAGLBSA-N 1 0 324.215 1.763 10 0 DDAERO CC[N@@H+]1CCC[C@H](Nc2nc(Cl)nc(-n3cccn3)n2)C1 ZINC000061539211 184172899 /nfs/dbraw/zinc/17/28/99/184172899.db2.gz PIFMXEQLYNTZHR-JTQLQIEISA-N 1 0 307.789 1.607 10 0 DDAERO CCn1c(S[C@H](c2ccccc2OC)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594399 184175920 /nfs/dbraw/zinc/17/59/20/184175920.db2.gz BIYXSGYDRCYXLT-SKDRFNHKSA-N 1 0 308.407 1.781 10 0 DDAERO CCOC(=O)[C@@H]1CCCCN1Cc1[nH+]c(NN)ccc1Cl ZINC000061631029 184180003 /nfs/dbraw/zinc/18/00/03/184180003.db2.gz RBBQGIPPGKRAPK-LBPRGKRZSA-N 1 0 312.801 1.938 10 0 DDAERO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cnc(Cl)s1 ZINC000061644677 184180191 /nfs/dbraw/zinc/18/01/91/184180191.db2.gz ZGBBHCFEIDMJQE-QMMMGPOBSA-N 1 0 309.844 1.511 10 0 DDAERO C[C@H](O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061655573 184180988 /nfs/dbraw/zinc/18/09/88/184180988.db2.gz FQXFVNHMJZXOAD-GXTWGEPZSA-N 1 0 312.435 1.455 10 0 DDAERO C[NH+](C)C[C@H]1CCCN1c1nc(Cl)nc(N2CCCC2)n1 ZINC000061654804 184181268 /nfs/dbraw/zinc/18/12/68/184181268.db2.gz GTNFCGJKQVDIKF-LLVKDONJSA-N 1 0 310.833 1.656 10 0 DDAERO C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H](C(N)=S)c1ccccc1 ZINC000061646151 184181475 /nfs/dbraw/zinc/18/14/75/184181475.db2.gz INXQMVBIXOUELZ-ZIAGYGMSSA-N 1 0 305.447 1.609 10 0 DDAERO C[NH2+][C@H]1CCC2(C[C@H]1S(=O)(=O)c1ccccc1)OCCO2 ZINC000061702799 184184302 /nfs/dbraw/zinc/18/43/02/184184302.db2.gz GWSAFHDEQJLUBY-UONOGXRCSA-N 1 0 311.403 1.344 10 0 DDAERO C[C@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000061950914 184198463 /nfs/dbraw/zinc/19/84/63/184198463.db2.gz UDMJXFXYAMTIRE-TUAOUCFPSA-N 1 0 307.360 1.456 10 0 DDAERO COCC[NH2+][C@@]1(c2nc3c(s2)CCC3)CCN(C2CC2)C1 ZINC000061991973 184199578 /nfs/dbraw/zinc/19/95/78/184199578.db2.gz GXAWQQRRURFODD-INIZCTEOSA-N 1 0 307.463 1.931 10 0 DDAERO C[N@H+](CCNC(=O)c1ccc(Br)c(N)c1)C1CC1 ZINC000061992406 184200640 /nfs/dbraw/zinc/20/06/40/184200640.db2.gz FMXLRTOJOHTUSW-UHFFFAOYSA-N 1 0 312.211 1.855 10 0 DDAERO CC[NH2+][C@@](CSC1CCOCC1)(C(N)=O)c1ccccc1 ZINC000062056455 184203582 /nfs/dbraw/zinc/20/35/82/184203582.db2.gz CCVDDUKIWBRPAB-MRXNPFEDSA-N 1 0 308.447 1.889 10 0 DDAERO CC(C)(C)[C@H]1CC[C@@H]([NH3+])[C@H](N2CCN(S(C)(=O)=O)CC2)C1 ZINC000062083699 184204877 /nfs/dbraw/zinc/20/48/77/184204877.db2.gz QTVQEHJEQGDGTI-BFHYXJOUSA-N 1 0 317.499 1.106 10 0 DDAERO COCC[NH2+]Cc1c(N(C)[C@H](C)COC)nc2sccn12 ZINC000062737342 184251941 /nfs/dbraw/zinc/25/19/41/184251941.db2.gz MNKIJRMMXUYXKK-LLVKDONJSA-N 1 0 312.439 1.603 10 0 DDAERO CC1(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)CC[NH2+]CC1 ZINC000062840370 184255640 /nfs/dbraw/zinc/25/56/40/184255640.db2.gz MCBLOQUAEOVGAK-LLVKDONJSA-N 1 0 307.360 1.377 10 0 DDAERO CC[C@@]1(C(=O)N(CCC(=O)OC)CC(F)(F)F)CC[NH2+]C1 ZINC000062895726 184258853 /nfs/dbraw/zinc/25/88/53/184258853.db2.gz ONJPCBRAHJGHKB-GFCCVEGCSA-N 1 0 310.316 1.330 10 0 DDAERO CC[C@@]1(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)CC[NH2+]C1 ZINC000062895376 184259054 /nfs/dbraw/zinc/25/90/54/184259054.db2.gz WZLJZZJGGRSMPY-IJEWVQPXSA-N 1 0 312.479 1.889 10 0 DDAERO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cccc(N)c2C)C1 ZINC000062975665 184263642 /nfs/dbraw/zinc/26/36/42/184263642.db2.gz BDXOVWRJAGLARJ-CYBMUJFWSA-N 1 0 311.451 1.682 10 0 DDAERO CCOc1nc(Cl)nc(N2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC000062983399 184263991 /nfs/dbraw/zinc/26/39/91/184263991.db2.gz PILHEPWRKSPHRW-NSHDSACASA-N 1 0 311.817 1.988 10 0 DDAERO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(N)c1 ZINC000062975743 184264120 /nfs/dbraw/zinc/26/41/20/184264120.db2.gz XNLSLDNDSWMPMH-ZDUSSCGKSA-N 1 0 309.435 1.436 10 0 DDAERO O=S(=O)(Nc1ccc(N2CCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000062996929 184264997 /nfs/dbraw/zinc/26/49/97/184264997.db2.gz NTIGPHQCJDTDFU-HNNXBMFYSA-N 1 0 309.435 1.781 10 0 DDAERO COc1cccc(N(CCC[NH3+])CCCS(C)(=O)=O)c1 ZINC000063014529 184266401 /nfs/dbraw/zinc/26/64/01/184266401.db2.gz DQIKBYNTTHDCOX-UHFFFAOYSA-N 1 0 300.424 1.285 10 0 DDAERO CN(CC[NH+]1CCCC1)S(=O)(=O)c1cc(N)ccc1F ZINC000063051374 184268710 /nfs/dbraw/zinc/26/87/10/184268710.db2.gz KXIRBQRDFSBZOU-UHFFFAOYSA-N 1 0 301.387 1.124 10 0 DDAERO CCC1CCC(C[NH3+])(NS(=O)(=O)C[C@H]2CCCO2)CC1 ZINC000063154831 184274293 /nfs/dbraw/zinc/27/42/93/184274293.db2.gz FYMFQUQMCQLMRC-ROKHWSDSSA-N 1 0 304.456 1.383 10 0 DDAERO C[C@@H]1CCC[C@](C[NH3+])(N(C)S(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000063154980 184274413 /nfs/dbraw/zinc/27/44/13/184274413.db2.gz GOCLTOHXYCETDK-RDBSUJKOSA-N 1 0 304.456 1.335 10 0 DDAERO O=S(=O)(C[C@@H]1CCCO1)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000063156483 184274894 /nfs/dbraw/zinc/27/48/94/184274894.db2.gz FVKIBQXMTHYRIN-KGLIPLIRSA-N 1 0 316.467 1.540 10 0 DDAERO [NH3+][C@@H]1CCC[C@H]1NS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000063175620 184276479 /nfs/dbraw/zinc/27/64/79/184276479.db2.gz DRWHQOQVISFMHX-GHMZBOCLSA-N 1 0 324.324 1.743 10 0 DDAERO O=C(NCCC[NH+]1CCCCC1)c1cn2c(n1)CSCC2 ZINC000065231679 184315947 /nfs/dbraw/zinc/31/59/47/184315947.db2.gz JKALSKDGDUKOQD-UHFFFAOYSA-N 1 0 308.451 1.736 10 0 DDAERO C[C@H]([NH2+]CC(=O)Nc1cnccn1)c1ccccc1-n1cccn1 ZINC000065398713 184336832 /nfs/dbraw/zinc/33/68/32/184336832.db2.gz GJAWBMICLYCJAQ-ZDUSSCGKSA-N 1 0 322.372 1.952 10 0 DDAERO O=C(c1ccccc1)N1CCC([NH2+][C@@H]2C=CS(=O)(=O)C2)CC1 ZINC000065405549 184337649 /nfs/dbraw/zinc/33/76/49/184337649.db2.gz BXTBABABQCUWLY-OAHLLOKOSA-N 1 0 320.414 1.192 10 0 DDAERO COCCCNC(=O)c1cccc(NC(=O)C[NH2+]C(C)(C)C)c1 ZINC000066212421 184397162 /nfs/dbraw/zinc/39/71/62/184397162.db2.gz DDFWAUYRSKAIKZ-UHFFFAOYSA-N 1 0 321.421 1.780 10 0 DDAERO C[C@@H]1CCCCN1S(=O)(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000069052795 184499577 /nfs/dbraw/zinc/49/95/77/184499577.db2.gz LHNNYIRNOVIQFV-GFCCVEGCSA-N 1 0 309.435 1.863 10 0 DDAERO COC(=O)[C@@]1(N2CCC[NH2+]CC2)CCC[C@H](C(F)(F)F)C1 ZINC000069385430 184511254 /nfs/dbraw/zinc/51/12/54/184511254.db2.gz LEAJRIBXRJOZQM-WCQYABFASA-N 1 0 308.344 1.946 10 0 DDAERO CC1CCN(S(=O)(=O)N2CCC[C@@H](C[NH2+]C3CC3)C2)CC1 ZINC000113668184 194608400 /nfs/dbraw/zinc/60/84/00/194608400.db2.gz BJYAITFNWVRHEX-AWEZNQCLSA-N 1 0 315.483 1.427 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)c2c(Cl)nc3ccccn32)CCO1 ZINC000116791425 194771363 /nfs/dbraw/zinc/77/13/63/194771363.db2.gz FXLKMSZUPDUZRD-NSHDSACASA-N 1 0 322.796 1.390 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ncn(-c2ccccc2)n1 ZINC000156842429 197144727 /nfs/dbraw/zinc/14/47/27/197144727.db2.gz LSOOHLNPHFUWCD-DZGCQCFKSA-N 1 0 311.389 1.576 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCCNC(=O)C1CCC1 ZINC000177019231 285235255 /nfs/dbraw/zinc/23/52/55/285235255.db2.gz NYOWNIPZPNYHRB-OAHLLOKOSA-N 1 0 324.469 1.419 10 0 DDAERO COC[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)C1CCOCC1 ZINC000188203395 285243125 /nfs/dbraw/zinc/24/31/25/285243125.db2.gz IPJWLLKRYSVCLR-JKSUJKDBSA-N 1 0 320.437 1.477 10 0 DDAERO CC(C)C[C@@H](CCO)CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000120871751 195254441 /nfs/dbraw/zinc/25/44/41/195254441.db2.gz FSACDEXBBWPUFO-CABCVRRESA-N 1 0 315.458 1.003 10 0 DDAERO CC[N@@H+]1CCO[C@H]2CN(C(=O)COc3ccccc3)CC[C@H]2C1 ZINC000249691513 257107232 /nfs/dbraw/zinc/10/72/32/257107232.db2.gz LKSHSWBGPPBFBV-RDJZCZTQSA-N 1 0 318.417 1.635 10 0 DDAERO C[NH+](C)C[C@@H]1OC[C@H]2CCN(C(=O)Cc3cccs3)C[C@@H]12 ZINC000247991371 257112417 /nfs/dbraw/zinc/11/24/17/257112417.db2.gz LNENGSJFXCWUIR-YUELXQCFSA-N 1 0 308.447 1.716 10 0 DDAERO COc1ccccc1C[N@@H+]1C[C@H]2CN(C(C)=O)CCO[C@H]2C1 ZINC000247933760 257114331 /nfs/dbraw/zinc/11/43/31/257114331.db2.gz KRWNWCQDIKLTHU-RDJZCZTQSA-N 1 0 304.390 1.374 10 0 DDAERO c1ccc(C[N@H+]2CC[C@H]3OCCN(Cc4ccncc4)[C@@H]3C2)nc1 ZINC000253596103 257105681 /nfs/dbraw/zinc/10/56/81/257105681.db2.gz NEHSMSRLCWLUMS-RTBURBONSA-N 1 0 324.428 1.952 10 0 DDAERO COc1ccc2c(c1)CCN2C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000299740708 533256120 /nfs/dbraw/zinc/25/61/20/533256120.db2.gz BFQNJUQFCWRXEY-VXGBXAGGSA-N 1 0 314.307 1.982 10 0 DDAERO Cc1cccc(N2CCN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)CC2)c1 ZINC000261669539 134405205 /nfs/dbraw/zinc/40/52/05/134405205.db2.gz GGJUXQDELVHNJG-CVEARBPZSA-N 1 0 303.406 1.150 10 0 DDAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638303451 422815109 /nfs/dbraw/zinc/81/51/09/422815109.db2.gz YGMOPBQSFROBLA-YJBOKZPZSA-N 1 0 319.449 1.379 10 0 DDAERO [NH3+][C@@H]1CCN(c2cc(-c3ccccn3)nc(-c3cnccn3)n2)C1 ZINC000070455904 406817057 /nfs/dbraw/zinc/81/70/57/406817057.db2.gz WRZIUNMUTKFHNN-GFCCVEGCSA-N 1 0 319.372 1.533 10 0 DDAERO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H]2C[C@@H]2C)c1 ZINC000076099137 406954958 /nfs/dbraw/zinc/95/49/58/406954958.db2.gz HUVHGTCULBPCIN-WFASDCNBSA-N 1 0 303.406 1.992 10 0 DDAERO C[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)C(=O)N(C)C ZINC000045185480 407041505 /nfs/dbraw/zinc/04/15/05/407041505.db2.gz BRXHUMOEKWAQLE-OCCSQVGLSA-N 1 0 306.410 1.065 10 0 DDAERO CCN1C[C@H](C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)CC1=O ZINC000046170473 407056853 /nfs/dbraw/zinc/05/68/53/407056853.db2.gz WGUVIGKNUQFCAZ-CABCVRRESA-N 1 0 303.406 1.274 10 0 DDAERO CCCNC(=O)CCNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000079766573 407062253 /nfs/dbraw/zinc/06/22/53/407062253.db2.gz LNFUQCYWDOOGCM-CYBMUJFWSA-N 1 0 300.447 1.178 10 0 DDAERO Cc1nn(C)c(CN(C)C[C@@H]2CC[N@H+](C)C2)c1Br ZINC000089232764 407127330 /nfs/dbraw/zinc/12/73/30/407127330.db2.gz MJKOFNIQNVEHJL-LLVKDONJSA-N 1 0 315.259 1.875 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCCNc2ccccn2)C1 ZINC000052528889 407152536 /nfs/dbraw/zinc/15/25/36/407152536.db2.gz KSHBEELCHBMNHE-CQSZACIVSA-N 1 0 305.426 1.667 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2cccc(OC)c2OC)C1 ZINC000052553452 407153010 /nfs/dbraw/zinc/15/30/10/407153010.db2.gz RFDGZAUOHCAHNX-AWEZNQCLSA-N 1 0 321.421 1.987 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(-n2ccnn2)cc1 ZINC000089849960 407153927 /nfs/dbraw/zinc/15/39/27/407153927.db2.gz ZOTHFEHNKWDTMA-OAHLLOKOSA-N 1 0 315.421 1.973 10 0 DDAERO O=C(OCc1ccccc1)N1CC([C@@H](CCO)[NH2+]C2CC2)C1 ZINC000095078809 407206177 /nfs/dbraw/zinc/20/61/77/407206177.db2.gz MJWLBDLBEYORBQ-MRXNPFEDSA-N 1 0 304.390 1.758 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2COc3cc(OC)ccc3C2)C1 ZINC000064657044 407238858 /nfs/dbraw/zinc/23/88/58/407238858.db2.gz RJAVJFVFARDCFM-HUUCEWRRSA-N 1 0 318.417 1.847 10 0 DDAERO CCCNC(=O)[C@H](C)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863296 407356539 /nfs/dbraw/zinc/35/65/39/407356539.db2.gz XSRJJMPMOUKFKY-HNNXBMFYSA-N 1 0 321.469 1.194 10 0 DDAERO CC(C)CC(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105817922 407355533 /nfs/dbraw/zinc/35/55/33/407355533.db2.gz OVKDSDOJNBKKBS-MRXNPFEDSA-N 1 0 311.470 1.286 10 0 DDAERO CCn1cnnc1C1CCN([C@H](C)C(=O)NCCCOC)CC1 ZINC000105929087 407357578 /nfs/dbraw/zinc/35/75/78/407357578.db2.gz RJJIIVNZXGQGAF-CYBMUJFWSA-N 1 0 323.441 1.019 10 0 DDAERO CC(C)OC(=O)CCCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000126346763 407411712 /nfs/dbraw/zinc/41/17/12/407411712.db2.gz AHMXAHAFWRZDQN-KBPBESRZSA-N 1 0 313.442 1.746 10 0 DDAERO CCc1ccc([C@@H](C)[NH2+]CC(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000126568450 407416550 /nfs/dbraw/zinc/41/65/50/407416550.db2.gz IIHFBITVUPHKAQ-CQSZACIVSA-N 1 0 317.433 1.590 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111816605 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314.426 1.371 10 0 DDAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@H]2CCOC[C@H]2O)C1(C)C ZINC000706699049 699244228 /nfs/dbraw/zinc/24/42/28/699244228.db2.gz HANLLBKUQBKOPJ-QNWHQSFQSA-N 1 0 314.426 1.418 10 0 DDAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000706739002 699244406 /nfs/dbraw/zinc/24/44/06/699244406.db2.gz UEJYAZCTYWJKKM-FQUUOJAGSA-N 1 0 314.426 1.371 10 0 DDAERO CC[S@](=O)CC[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711493446 699258719 /nfs/dbraw/zinc/25/87/19/699258719.db2.gz UVOKFHFBHXAVMQ-IGFCCVMLSA-N 1 0 304.456 1.648 10 0 DDAERO O=C(NC[C@@H]1CSCCS1)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715366984 699275078 /nfs/dbraw/zinc/27/50/78/699275078.db2.gz CLJQFEMHDGSSEF-YRGRVCCFSA-N 1 0 300.493 1.731 10 0 DDAERO C[C@H]1[C@@H]([NH2+]C2CC(C(N)=O)C2)CCCN1C(=O)OC(C)(C)C ZINC000716717671 699284002 /nfs/dbraw/zinc/28/40/02/699284002.db2.gz RWIDBICAFVOGCO-WTIISPKJSA-N 1 0 311.426 1.628 10 0 DDAERO COc1ncc(Cl)c(N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)n1 ZINC000720846902 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CCC[C@@H](CC[NH3+])CCC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000079239036 185162343 /nfs/dbraw/zinc/16/23/43/185162343.db2.gz FGGZTNPFOSCQKH-OLZOCXBDSA-N 1 0 304.456 1.083 10 0 DDAERO O=C(CSc1ccc(Br)cn1)N1CC[NH2+]CC1 ZINC000079446503 185172072 /nfs/dbraw/zinc/17/20/72/185172072.db2.gz CZBKBRWAQYFHFT-UHFFFAOYSA-N 1 0 316.224 1.368 10 0 DDAERO COC(=O)CCS(=O)(=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000081974643 192347398 /nfs/dbraw/zinc/34/73/98/192347398.db2.gz OVNQEVQDUSZELZ-GRYCIOLGSA-N 1 0 305.440 1.506 10 0 DDAERO COc1cc([C@H](C[NH3+])[C@H](O)C(C)(C)S(C)(=O)=O)ccc1C ZINC000087377782 185223078 /nfs/dbraw/zinc/22/30/78/185223078.db2.gz MXWWEYJTYYBBOK-JSGCOSHPSA-N 1 0 315.435 1.230 10 0 DDAERO CCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000087404228 185223765 /nfs/dbraw/zinc/22/37/65/185223765.db2.gz BLDSUWQVOIJWQJ-SECBINFHSA-N 1 0 306.815 1.754 10 0 DDAERO CCC[C@H](C[NH3+])NS(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000087404265 185223928 /nfs/dbraw/zinc/22/39/28/185223928.db2.gz VRXNFYPJPDDZOG-SNVBAGLBSA-N 1 0 318.395 1.089 10 0 DDAERO C[C@@H](C(=O)N[C@H](C[NH+](C)C)c1ccccc1)N1CCSCC1 ZINC000132898805 539189941 /nfs/dbraw/zinc/18/99/41/539189941.db2.gz YVJZYMRMNDHYMM-GOEBONIOSA-N 1 0 321.490 1.843 10 0 DDAERO COC(=O)c1cc(NC(=O)[C@@H](C[NH3+])C(C)C)c(F)cc1F ZINC000087522244 185227617 /nfs/dbraw/zinc/22/76/17/185227617.db2.gz BLFIMSNFRJXUEE-VIFPVBQESA-N 1 0 300.305 1.921 10 0 DDAERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCc2c[nH]cn2)cc1 ZINC000087545695 185228096 /nfs/dbraw/zinc/22/80/96/185228096.db2.gz WAKRYVZTJJCHFA-NSHDSACASA-N 1 0 308.407 1.211 10 0 DDAERO CCn1nc(C)c(Br)c1C[S@](=O)C[C@@H](C)[NH3+] ZINC000088069882 185238706 /nfs/dbraw/zinc/23/87/06/185238706.db2.gz QOONKBXFPLTCMF-QZTNRIJFSA-N 1 0 308.245 1.570 10 0 DDAERO COCC[NH+](CCOC)Cc1ccc(OC)c(C(N)=S)c1 ZINC000087832495 185232381 /nfs/dbraw/zinc/23/23/81/185232381.db2.gz DAFTWOXAXNNKFK-UHFFFAOYSA-N 1 0 312.435 1.424 10 0 DDAERO C[C@@H](Cn1cccn1)Nc1nc(NN)[nH+]cc1Br ZINC000087864846 185233942 /nfs/dbraw/zinc/23/39/42/185233942.db2.gz URVHNYPOGULYMC-ZETCQYMHSA-N 1 0 312.175 1.222 10 0 DDAERO COC(=O)CCS(=O)(=O)C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000081974443 192348077 /nfs/dbraw/zinc/34/80/77/192348077.db2.gz LFJARPSEQDBNPA-CQSZACIVSA-N 1 0 313.419 1.788 10 0 DDAERO CCCOc1ccc([C@H]([NH3+])CS(=O)(=O)CC(=O)OC)cc1 ZINC000081976257 192348218 /nfs/dbraw/zinc/34/82/18/192348218.db2.gz ISQLCBAPUCACSS-CYBMUJFWSA-N 1 0 315.391 1.063 10 0 DDAERO [NH3+]Cc1nnnn1-c1cc(Br)cc(C(F)(F)F)c1 ZINC000088188544 185241198 /nfs/dbraw/zinc/24/11/98/185241198.db2.gz SFHOMKHYRQLTQD-UHFFFAOYSA-N 1 0 322.088 1.902 10 0 DDAERO CCCCS(=O)(=O)[C@H]1CC2(CC[C@H]1[NH2+]CC)OCCO2 ZINC000081973602 192348280 /nfs/dbraw/zinc/34/82/80/192348280.db2.gz VVQAMMONDLPJEN-OLZOCXBDSA-N 1 0 305.440 1.475 10 0 DDAERO CCCCS(=O)(=O)[C@H]1CC2(CC[C@H]1[NH2+]CCC)OCCO2 ZINC000081973665 192348359 /nfs/dbraw/zinc/34/83/59/192348359.db2.gz CHXRCNLQMGVPSD-KGLIPLIRSA-N 1 0 319.467 1.865 10 0 DDAERO CNC(=O)[C@H]([NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)C(C)C ZINC000183687282 539242885 /nfs/dbraw/zinc/24/28/85/539242885.db2.gz IFDSMKSUVKVJIS-MLGOLLRUSA-N 1 0 319.405 1.268 10 0 DDAERO CC[C@H](C[NH3+])S(=O)(=O)N1CCN(c2cccc(C)c2)CC1 ZINC000088471870 185252054 /nfs/dbraw/zinc/25/20/54/185252054.db2.gz HNPKEVPNBNGTTG-OAHLLOKOSA-N 1 0 311.451 1.184 10 0 DDAERO CC(C)[NH2+][C@@](C)(CCN1CCC(C(F)(F)F)CC1)C(N)=O ZINC000088435509 185250549 /nfs/dbraw/zinc/25/05/49/185250549.db2.gz XOWMKYBTWAOKPV-ZDUSSCGKSA-N 1 0 309.376 1.893 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N(CCOC)CC(C)C)o1 ZINC000088544120 185256894 /nfs/dbraw/zinc/25/68/94/185256894.db2.gz XJEXBIWWIHKCLP-UHFFFAOYSA-N 1 0 304.412 1.292 10 0 DDAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCOC3(CCOCC3)C2)C1 ZINC000091767361 282204695 /nfs/dbraw/zinc/20/46/95/282204695.db2.gz CUVPTLGOQUJGQW-ZIAGYGMSSA-N 1 0 311.426 1.060 10 0 DDAERO CC[NH2+][C@@H]1CCC(C)(C)C[C@H]1S(=O)(=O)CC(=O)OCC ZINC000081978043 192348949 /nfs/dbraw/zinc/34/89/49/192348949.db2.gz XMIBIGASGHMARY-VXGBXAGGSA-N 1 0 305.440 1.521 10 0 DDAERO O=S(=O)(CC1CC[NH2+]CC1)Nc1c(F)cc(F)cc1F ZINC000088722855 185263371 /nfs/dbraw/zinc/26/33/71/185263371.db2.gz KZOOIATUGQNICL-UHFFFAOYSA-N 1 0 308.325 1.845 10 0 DDAERO CC[NH2+]C[C@@H](Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000088790142 185265730 /nfs/dbraw/zinc/26/57/30/185265730.db2.gz FFYNGQYCOKDKLT-QWHCGFSZSA-N 1 0 316.854 1.938 10 0 DDAERO CC(C)[NH2+]CCCc1nnc(C(C)(C)S(C)(=O)=O)s1 ZINC000088812576 185266330 /nfs/dbraw/zinc/26/63/30/185266330.db2.gz PWGOELHBTMAPEQ-UHFFFAOYSA-N 1 0 305.469 1.748 10 0 DDAERO Cc1oc(C)c(S(=O)(=O)N2CCC([NH+](C)C)CC2)c1CO ZINC000088883978 185268523 /nfs/dbraw/zinc/26/85/23/185268523.db2.gz MZIRNKAGONFYIP-UHFFFAOYSA-N 1 0 316.423 1.103 10 0 DDAERO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246785218 539270714 /nfs/dbraw/zinc/27/07/14/539270714.db2.gz QZOZDXJCUZSVQW-USXIJHARSA-N 1 0 322.405 1.091 10 0 DDAERO COCCCS(=O)(=O)[C@@H]1CCc2cc(OC)ccc2[C@H]1[NH3+] ZINC000081985716 192349779 /nfs/dbraw/zinc/34/97/79/192349779.db2.gz BJUAPIIYFAVTFW-HUUCEWRRSA-N 1 0 313.419 1.461 10 0 DDAERO CC(C)c1ccc([C@@H]([NH3+])C[S@](=O)CCS(C)(=O)=O)cc1 ZINC000081991969 192351554 /nfs/dbraw/zinc/35/15/54/192351554.db2.gz DYFHRHGDYAQRDP-LIRRHRJNSA-N 1 0 317.476 1.603 10 0 DDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC000253586038 282217341 /nfs/dbraw/zinc/21/73/41/282217341.db2.gz RJEMEZYJSQPGOV-IINYFYTJSA-N 1 0 315.377 1.189 10 0 DDAERO CNS(=O)(=O)c1ccc(C[NH2+]C[C@@](C)(O)CC(C)C)o1 ZINC000090267506 185288456 /nfs/dbraw/zinc/28/84/56/185288456.db2.gz KRWMKBIITBPPCG-ZDUSSCGKSA-N 1 0 304.412 1.074 10 0 DDAERO CC[NH2+][C@H](c1ccccc1)[C@@H](C)S(=O)(=O)CCC(=O)OC ZINC000082004472 192353591 /nfs/dbraw/zinc/35/35/91/192353591.db2.gz JOGMVYQRUQELLZ-DOMZBBRYSA-N 1 0 313.419 1.704 10 0 DDAERO C[C@@](O)(CO)C[NH2+]Cc1cccc(NC(=O)C(F)(F)F)c1 ZINC000090287014 185289633 /nfs/dbraw/zinc/28/96/33/185289633.db2.gz IWFJLNDGIYYPFH-LBPRGKRZSA-N 1 0 306.284 1.020 10 0 DDAERO CCc1nn(C)c(Cn2cc(C[NH2+]C)nn2)c1Br ZINC000090295463 185289944 /nfs/dbraw/zinc/28/99/44/185289944.db2.gz LUNKVNZQMNFLTI-UHFFFAOYSA-N 1 0 313.203 1.104 10 0 DDAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1Nc1ccccc1S(=O)(=O)C(F)F ZINC000090313413 185290632 /nfs/dbraw/zinc/29/06/32/185290632.db2.gz VGMGBKDXJQXFGC-XRNSZHNASA-N 1 0 320.361 1.600 10 0 DDAERO Cc1c(Cl)cccc1S(=O)(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090322310 185290959 /nfs/dbraw/zinc/29/09/59/185290959.db2.gz UEZHJLYPTWUYOG-GHMZBOCLSA-N 1 0 300.811 1.488 10 0 DDAERO CC(C)NS(=O)(=O)c1ccc(N2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000090322673 185291085 /nfs/dbraw/zinc/29/10/85/185291085.db2.gz XPZVNAQEYWLCJV-STQMWFEESA-N 1 0 309.435 1.029 10 0 DDAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1cccc(Cl)c1 ZINC000090331741 185291699 /nfs/dbraw/zinc/29/16/99/185291699.db2.gz FZKKBOYEMIYRTM-DDTOSNHZSA-N 1 0 314.838 1.959 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1ccc(F)cc1F ZINC000090336936 185291966 /nfs/dbraw/zinc/29/19/66/185291966.db2.gz ZKFRTDNKMGBAQG-KOLCDFICSA-N 1 0 316.373 1.583 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000090431631 185295849 /nfs/dbraw/zinc/29/58/49/185295849.db2.gz WTAMLTAHVISWRU-MNOVXSKESA-N 1 0 304.268 1.758 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cc(OC)c(OC)cc1Cl ZINC000090433317 185296180 /nfs/dbraw/zinc/29/61/80/185296180.db2.gz AGVDHDXJEMXYIH-KWQFWETISA-N 1 0 314.769 1.530 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)NCc1cccc(Br)c1 ZINC000090436747 185296261 /nfs/dbraw/zinc/29/62/61/185296261.db2.gz ODTOUGVZMMRMQH-NWDGAFQWSA-N 1 0 313.195 1.300 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000090434563 185296347 /nfs/dbraw/zinc/29/63/47/185296347.db2.gz HDEZUZBYYLHSCH-KGLIPLIRSA-N 1 0 312.797 1.412 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(NC(C)=O)c(Cl)c1 ZINC000090433159 185296371 /nfs/dbraw/zinc/29/63/71/185296371.db2.gz WLRDCTKBITVYEH-GXFFZTMASA-N 1 0 311.769 1.471 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(C)c(Br)c1 ZINC000090437786 185296385 /nfs/dbraw/zinc/29/63/85/185296385.db2.gz UXCLAMGAICABET-JQWIXIFHSA-N 1 0 313.195 1.930 10 0 DDAERO CCN1CCO[C@H](C[NH2+][C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000303491064 539289073 /nfs/dbraw/zinc/28/90/73/539289073.db2.gz JUNWYZZCURSRTR-YTQUADARSA-N 1 0 317.477 1.960 10 0 DDAERO C[C@]1(C(=O)NCc2ccc(Br)cc2)COC[C@@H]1[NH3+] ZINC000090581364 185304903 /nfs/dbraw/zinc/30/49/03/185304903.db2.gz ZMQUFMJDIJDQAF-AAEUAGOBSA-N 1 0 313.195 1.429 10 0 DDAERO Cn1cc(C(=O)N2CCCSC[C@@H]2C[NH+]2CCCCC2)nn1 ZINC000090701684 185310575 /nfs/dbraw/zinc/31/05/75/185310575.db2.gz LGRAISQFDLMLDP-ZDUSSCGKSA-N 1 0 323.466 1.249 10 0 DDAERO Cc1nnsc1C(=O)N1CCCSC[C@H]1C[NH+](C)C ZINC000090700081 185310629 /nfs/dbraw/zinc/31/06/29/185310629.db2.gz UGOBAANAFCZLBA-SNVBAGLBSA-N 1 0 300.453 1.356 10 0 DDAERO Cc1noc(C)c1CNS(=O)(=O)c1cc(C[NH3+])cs1 ZINC000092344243 185313419 /nfs/dbraw/zinc/31/34/19/185313419.db2.gz JRRLTXKTUNJOTM-UHFFFAOYSA-N 1 0 301.393 1.290 10 0 DDAERO CC(C)[C@H](CO)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000092392000 185315728 /nfs/dbraw/zinc/31/57/28/185315728.db2.gz QFDOZEMZMRPVTD-WFASDCNBSA-N 1 0 314.451 1.604 10 0 DDAERO CC(C)(C)[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000092460712 185320214 /nfs/dbraw/zinc/32/02/14/185320214.db2.gz ONQCZHVIRDDEKF-UHFFFAOYSA-N 1 0 319.814 1.314 10 0 DDAERO O=C(Nc1cc(Cl)cc(Cl)c1)c1cn(C2C[NH2+]C2)nn1 ZINC000092700077 185333778 /nfs/dbraw/zinc/33/37/78/185333778.db2.gz GFFJKBRPKKSHSL-UHFFFAOYSA-N 1 0 312.160 1.982 10 0 DDAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](S(=O)(=O)C1CCOCC1)C2 ZINC000092859303 185346911 /nfs/dbraw/zinc/34/69/11/185346911.db2.gz DBWGFOANEJOQTE-GJZGRUSLSA-N 1 0 311.403 1.214 10 0 DDAERO C[NH2+][C@H]1c2cc(OC)ccc2C[C@@H]1S(=O)(=O)CCCOC ZINC000092911529 185348475 /nfs/dbraw/zinc/34/84/75/185348475.db2.gz MJPDQFLFSRQVCU-GJZGRUSLSA-N 1 0 313.419 1.332 10 0 DDAERO CC[C@@H]1CN(C(=O)/C=C\c2cccnc2)CC[N@@H+]1C[C@H](C)O ZINC000255577161 282267201 /nfs/dbraw/zinc/26/72/01/282267201.db2.gz WPLUIXKALJKSON-BYRFQNSZSA-N 1 0 303.406 1.398 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C\c2cccc(F)c2)C[C@@H]1C ZINC000255587477 282267492 /nfs/dbraw/zinc/26/74/92/282267492.db2.gz GCBOBXQJSVLVSL-KFBXHMBNSA-N 1 0 306.381 1.752 10 0 DDAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000092951508 185350359 /nfs/dbraw/zinc/35/03/59/185350359.db2.gz ZRWDEIZSYRPJMD-GXSJLCMTSA-N 1 0 309.797 1.978 10 0 DDAERO COc1ccc(CN(C)C(=O)C[NH2+][C@H](C)[C@H]2CCCO2)cc1 ZINC000183088401 199534364 /nfs/dbraw/zinc/53/43/64/199534364.db2.gz AFULVYUVPOXBDT-CZUORRHYSA-N 1 0 306.406 1.811 10 0 DDAERO O=S(=O)(CC[C@H]1CCCC[NH2+]1)NCc1cc(F)ccc1F ZINC000111406790 185592409 /nfs/dbraw/zinc/59/24/09/185592409.db2.gz FJBRJJQNNXLCFO-CYBMUJFWSA-N 1 0 318.389 1.916 10 0 DDAERO CN1CCN(S(=O)(=O)C[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000111762866 185634271 /nfs/dbraw/zinc/63/42/71/185634271.db2.gz VJQVIKBMUUGVJP-CYBMUJFWSA-N 1 0 309.435 1.272 10 0 DDAERO C[NH2+][C@H](C)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000111714263 185629291 /nfs/dbraw/zinc/62/92/91/185629291.db2.gz ANYHBZWJRUBWMV-LLVKDONJSA-N 1 0 300.399 1.834 10 0 DDAERO CC[NH2+][C@H](C)[C@H]1CCCCN1S(=O)(=O)C[C@@H]1CCCO1 ZINC000111715431 185629897 /nfs/dbraw/zinc/62/98/97/185629897.db2.gz XIAWQCWIIBAUQG-HZSPNIEDSA-N 1 0 304.456 1.348 10 0 DDAERO CCC[NH2+]C[C@@H]1CCCN(c2ccccc2S(N)(=O)=O)C1 ZINC000111718777 185630177 /nfs/dbraw/zinc/63/01/77/185630177.db2.gz GAPWELSFISHJLP-ZDUSSCGKSA-N 1 0 311.451 1.550 10 0 DDAERO C[C@@H](C(=O)N[C@H](CN1CCOCC1)c1ccccc1)[C@H](C)[NH3+] ZINC000249002518 295787345 /nfs/dbraw/zinc/78/73/45/295787345.db2.gz IROMZTNZSRUCSK-IJEWVQPXSA-N 1 0 305.422 1.159 10 0 DDAERO CCc1nc(S(=O)(=O)N(C)Cc2ccc(C[NH3+])cc2)c[nH]1 ZINC000070418153 190888345 /nfs/dbraw/zinc/88/83/45/190888345.db2.gz ADBKLPVHZRHSBH-UHFFFAOYSA-N 1 0 308.407 1.252 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cn(C)c(=O)cc1C ZINC000182012299 199374687 /nfs/dbraw/zinc/37/46/87/199374687.db2.gz ALMRSTSJWXKLSH-UONOGXRCSA-N 1 0 318.421 1.784 10 0 DDAERO CC[NH2+][C@H]1CCN(S(=O)(=O)c2cn[nH]c2)c2ccccc21 ZINC000071325075 190957783 /nfs/dbraw/zinc/95/77/83/190957783.db2.gz MDULFSUKUZTNDW-ZDUSSCGKSA-N 1 0 306.391 1.659 10 0 DDAERO C[NH2+][C@](C)(C[C@H](C)n1nc(C)c(Br)c1C)C(N)=O ZINC000084364662 192425777 /nfs/dbraw/zinc/42/57/77/192425777.db2.gz KOOVUQCSNXQKGO-JVXZTZIISA-N 1 0 317.231 1.677 10 0 DDAERO [NH3+]C[C@@H]1c2cc(F)c(F)c(F)c2CN1[C@@H]1CCS(=O)(=O)C1 ZINC000071683695 191006934 /nfs/dbraw/zinc/00/69/34/191006934.db2.gz LZURLAUWQISMQA-RDDDGLTNSA-N 1 0 320.336 1.106 10 0 DDAERO CCc1ccccc1CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000155759737 186109979 /nfs/dbraw/zinc/10/99/79/186109979.db2.gz REUCRIDJASMYNY-QGZVFWFLSA-N 1 0 319.449 1.895 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc2c(c1)OCO2 ZINC000172134955 198045205 /nfs/dbraw/zinc/04/52/05/198045205.db2.gz RQVVSYYBIHSGEB-GXTWGEPZSA-N 1 0 317.389 1.793 10 0 DDAERO Cn1cc(CCC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cn1 ZINC000054819888 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CCOC(=O)[C@@]1([NH3+])CC[C@@H](Sc2nnc(N(C)C)s2)C1 ZINC000093853728 193319612 /nfs/dbraw/zinc/31/96/12/193319612.db2.gz LXVHIYMPFPNTPX-PRHODGIISA-N 1 0 316.452 1.509 10 0 DDAERO CCn1nc(C)c(Cl)c1C[C@H](O)[C@H]1C[N@H+](C)CCN1C ZINC000093893740 193323717 /nfs/dbraw/zinc/32/37/17/193323717.db2.gz XGUZPCHGYOFFPE-OLZOCXBDSA-N 1 0 300.834 1.014 10 0 DDAERO CCC[NH2+][C@H]1[C@H](CN2CCS(=O)(=O)CC2)CCCC1(C)C ZINC000094286849 193356103 /nfs/dbraw/zinc/35/61/03/193356103.db2.gz AYNGDBQKWAKTHX-GJZGRUSLSA-N 1 0 316.511 1.911 10 0 DDAERO CC1(C)CCCC[C@@]1(C[NH3+])N1CCSC[C@@H]1S(C)(=O)=O ZINC000094281489 193356161 /nfs/dbraw/zinc/35/61/61/193356161.db2.gz WVHXYIUFXARVLA-JSGCOSHPSA-N 1 0 320.524 1.704 10 0 DDAERO C[C@@H]([NH3+])[C@H](c1ccccc1Cl)N(C)CCS(C)(=O)=O ZINC000094297222 193356666 /nfs/dbraw/zinc/35/66/66/193356666.db2.gz WSRKKFMOWPMKBM-ZWNOBZJWSA-N 1 0 304.843 1.705 10 0 DDAERO CC[C@@H]([NH3+])[C@@H](c1ccc(OC)cc1)N(C)CCS(C)(=O)=O ZINC000094297183 193356915 /nfs/dbraw/zinc/35/69/15/193356915.db2.gz 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ZINC000094805069 193399022 /nfs/dbraw/zinc/39/90/22/193399022.db2.gz RDDJVUUFEIIWAS-SWLSCSKDSA-N 1 0 312.435 1.814 10 0 DDAERO C[C@@]1(CNS(=O)(=O)c2cccc3c2CC[NH2+]C3)CCCO1 ZINC000094803541 193399616 /nfs/dbraw/zinc/39/96/16/193399616.db2.gz XAHKTCLPMPANDA-HNNXBMFYSA-N 1 0 310.419 1.180 10 0 DDAERO O=S(=O)(c1ccc([C@@H]2C[NH2+]CCN2)cc1)N1CCCCC1 ZINC000019772834 182145103 /nfs/dbraw/zinc/14/51/03/182145103.db2.gz MSEQVRZZFBXPQT-HNNXBMFYSA-N 1 0 309.435 1.095 10 0 DDAERO Cn1c2ccc([C@H](N)C[NH+]3CCCCCC3)cc2n(C)c1=O ZINC000019821587 182154246 /nfs/dbraw/zinc/15/42/46/182154246.db2.gz RIUPASKAYVDPCV-CQSZACIVSA-N 1 0 302.422 1.753 10 0 DDAERO C[C@H](Oc1ccc(Br)cc1C[NH3+])C(=O)NC1CC1 ZINC000020483338 182223312 /nfs/dbraw/zinc/22/33/12/182223312.db2.gz XMNPOUBRELTVMH-QMMMGPOBSA-N 1 0 313.195 1.954 10 0 DDAERO CCC[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2N)CC1 ZINC000021019396 182261513 /nfs/dbraw/zinc/26/15/13/182261513.db2.gz OMGGXNHZJGTFDL-UHFFFAOYSA-N 1 0 310.829 1.888 10 0 DDAERO CO[C@H]1C[NH2+]C[C@H]1NC(=O)Cc1ccc(Br)cc1 ZINC000036236141 182810246 /nfs/dbraw/zinc/81/02/46/182810246.db2.gz MZICLXBCXFPGMK-NEPJUHHUSA-N 1 0 313.195 1.095 10 0 DDAERO COC(=O)[C@H]1C[C@H](C[NH3+])CCN1C(=O)OCc1ccccc1 ZINC000039941403 183022802 /nfs/dbraw/zinc/02/28/02/183022802.db2.gz XKMCVXRAIRBCQS-ZIAGYGMSSA-N 1 0 306.362 1.536 10 0 DDAERO C[C@H]1CCC[C@](CNS(=O)(=O)c2cn[nH]c2)([NH+](C)C)C1 ZINC000040670935 183115612 /nfs/dbraw/zinc/11/56/12/183115612.db2.gz YSIMJLHPEQGILP-AAEUAGOBSA-N 1 0 300.428 1.199 10 0 DDAERO O=C(N[C@H]1CCO[C@@H]1c1cccnc1)N[C@H]1CCCC[NH2+]C1 ZINC000333764590 249097406 /nfs/dbraw/zinc/09/74/06/249097406.db2.gz AZBLJPVZFKNDMX-SOUVJXGZSA-N 1 0 304.394 1.353 10 0 DDAERO C[NH+](C)Cc1ccccc1NS(=O)(=O)c1ccc(=O)[nH]c1 ZINC000040830544 183139223 /nfs/dbraw/zinc/13/92/23/183139223.db2.gz YRVOZQOWPHHMIE-UHFFFAOYSA-N 1 0 307.375 1.237 10 0 DDAERO C[C@@H](NC(=O)[C@](C)([NH3+])C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000040855782 183142800 /nfs/dbraw/zinc/14/28/00/183142800.db2.gz MVNNLMHRWAXQSJ-MEBBXXQBSA-N 1 0 310.419 1.395 10 0 DDAERO CSCC[C@H]([NH3+])C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000040855682 183143221 /nfs/dbraw/zinc/14/32/21/183143221.db2.gz UFNJLHKFAHXRJC-ZDUSSCGKSA-N 1 0 307.419 1.598 10 0 DDAERO CO[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)C12CCC2 ZINC000333865005 249132304 /nfs/dbraw/zinc/13/23/04/249132304.db2.gz SONFFKIEXNNHGV-SOUVJXGZSA-N 1 0 302.422 1.993 10 0 DDAERO CCC(CC)N(CC(F)(F)F)S(=O)(=O)N1CC[NH2+]CC1 ZINC000040861171 183143639 /nfs/dbraw/zinc/14/36/39/183143639.db2.gz DHISYQJEHNDTOY-UHFFFAOYSA-N 1 0 317.377 1.189 10 0 DDAERO CN(C1CCCCC1)S(=O)(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749883 183128553 /nfs/dbraw/zinc/12/85/53/183128553.db2.gz JJMAYIGZHRYPKR-QXMXGUDHSA-N 1 0 301.456 1.450 10 0 DDAERO Nc1csc(S(=O)(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000041068527 183162586 /nfs/dbraw/zinc/16/25/86/183162586.db2.gz HEAYEVDCFRTSQE-UHFFFAOYSA-N 1 0 315.464 1.579 10 0 DDAERO CCOc1ccc(Br)cc1[C@H]([NH3+])COCC(N)=O ZINC000041072188 183163401 /nfs/dbraw/zinc/16/34/01/183163401.db2.gz LFRYEACWKWEASU-SNVBAGLBSA-N 1 0 317.183 1.350 10 0 DDAERO CC(=O)NCCC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000041309012 183185296 /nfs/dbraw/zinc/18/52/96/183185296.db2.gz RBJMJCFNZPOSER-AWEZNQCLSA-N 1 0 311.813 1.585 10 0 DDAERO CCCN(CC[NH+](C)C)S(=O)(=O)c1cccc([C@@H](C)O)c1 ZINC000041684817 183216817 /nfs/dbraw/zinc/21/68/17/183216817.db2.gz SQAOKFLYYOQUBN-CYBMUJFWSA-N 1 0 314.451 1.702 10 0 DDAERO CCNC(=O)[C@@H](C)[NH2+]CCOc1ccc(Br)cc1 ZINC000042225741 183244705 /nfs/dbraw/zinc/24/47/05/183244705.db2.gz LOKUVFLDIPDISW-SNVBAGLBSA-N 1 0 315.211 1.942 10 0 DDAERO C[NH2+]CCCN1C(=O)C(=O)c2cc(Br)cc(C)c21 ZINC000042410629 183265414 /nfs/dbraw/zinc/26/54/14/183265414.db2.gz IYOGWEQXWBYSJV-UHFFFAOYSA-N 1 0 311.179 1.896 10 0 DDAERO NC(=S)c1cccc(NC(=O)CC[N@H+](CCO)C2CC2)c1 ZINC000042479454 183275318 /nfs/dbraw/zinc/27/53/18/183275318.db2.gz XBGFQLZARVQNAA-UHFFFAOYSA-N 1 0 307.419 1.106 10 0 DDAERO CCC(CC)N(CCO)S(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 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CN(C)C(=O)CN(C)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000043259863 183349134 /nfs/dbraw/zinc/34/91/34/183349134.db2.gz WBGFYTJARADKMG-MRVPVSSYSA-N 1 0 320.256 1.530 10 0 DDAERO C[C@H]([NH3+])[C@@H](Oc1cccc(S(C)(=O)=O)c1)c1cccnc1 ZINC000043351303 183356522 /nfs/dbraw/zinc/35/65/22/183356522.db2.gz QBLKCRMMJQIEGU-XHDPSFHLSA-N 1 0 306.387 1.952 10 0 DDAERO COC[C@H](C)NC(=O)COc1ccc(C[C@@H](C)[NH3+])cc1Cl ZINC000043491640 183366698 /nfs/dbraw/zinc/36/66/98/183366698.db2.gz FJABYDCKMZPMJC-MNOVXSKESA-N 1 0 314.813 1.760 10 0 DDAERO CC(C)CN(CC[NH+](C)C)S(=O)(=O)c1ccc(N)cc1F ZINC000043592807 183374693 /nfs/dbraw/zinc/37/46/93/183374693.db2.gz WHLPWZJHRJBNIG-UHFFFAOYSA-N 1 0 317.430 1.616 10 0 DDAERO C[NH+](C)C(C)(C)CNS(=O)(=O)c1cc(N)cc(Cl)c1F ZINC000043411132 183360154 /nfs/dbraw/zinc/36/01/54/183360154.db2.gz CMXHOQQROLOLDS-UHFFFAOYSA-N 1 0 323.821 1.680 10 0 DDAERO CCC[NH2+][C@@H]1CCC2(C[C@H]1N(CC)CCOC)OCCO2 ZINC000043968793 183391180 /nfs/dbraw/zinc/39/11/80/183391180.db2.gz 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C[NH+](C)C[C@@H]1CN(C[C@H](O)c2c(F)cccc2F)CCO1 ZINC000105904476 194167357 /nfs/dbraw/zinc/16/73/57/194167357.db2.gz MKDJGZFMGVHSSK-RISCZKNCSA-N 1 0 300.349 1.261 10 0 DDAERO CC[C@@H]1CN(CC(=O)N(C)Cc2ccco2)CC[N@@H+]1CCOC ZINC000105914599 194169569 /nfs/dbraw/zinc/16/95/69/194169569.db2.gz UERSYIHEFUHJMA-OAHLLOKOSA-N 1 0 323.437 1.281 10 0 DDAERO CC[C@H]1CN(CC(=O)N2CCCC[C@@H]2C)CC[N@@H+]1CCOC ZINC000105914489 194170101 /nfs/dbraw/zinc/17/01/01/194170101.db2.gz AQHMFYUKOGGHIJ-HOTGVXAUSA-N 1 0 311.470 1.430 10 0 DDAERO C[C@@H]1Cc2ccccc2N1C(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000105927807 194172700 /nfs/dbraw/zinc/17/27/00/194172700.db2.gz JSNJDJTYEBVNEP-GDBMZVCRSA-N 1 0 317.433 1.227 10 0 DDAERO Cc1ccc(NC(=O)[C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cc1C ZINC000105932819 194173554 /nfs/dbraw/zinc/17/35/54/194173554.db2.gz WRFYWCPHGOWEPJ-GOEBONIOSA-N 1 0 305.422 1.551 10 0 DDAERO Cc1ccc(NC(=O)[C@H](C)[NH2+]C[C@H]2CN(C)CCO2)c(C)c1 ZINC000105932733 194173644 /nfs/dbraw/zinc/17/36/44/194173644.db2.gz 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CC[C@H]1CN(Cc2nc(=NN)c3ccsc3[nH]2)CC[N@@H+]1C ZINC000110743413 194356935 /nfs/dbraw/zinc/35/69/35/194356935.db2.gz FGEVSTUFHHWYGG-JTQLQIEISA-N 1 0 306.439 1.503 10 0 DDAERO CN[C@](C)(CCCC[N@H+](C)C[C@@H]1CCCOC1)C(=O)OC ZINC000111169497 194397973 /nfs/dbraw/zinc/39/79/73/194397973.db2.gz ASCMUYHTEMIDMH-GOEBONIOSA-N 1 0 300.443 1.666 10 0 DDAERO CC[NH2+]CCC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000057461027 184038868 /nfs/dbraw/zinc/03/88/68/184038868.db2.gz GUOSWMGQEFIHJF-UHFFFAOYSA-N 1 0 313.423 1.183 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cnccc1Cl ZINC000059818198 184140990 /nfs/dbraw/zinc/14/09/90/184140990.db2.gz XIOPSANMDWNOAT-JTQLQIEISA-N 1 0 303.815 1.498 10 0 DDAERO CC[NH2+][C@H](Cc1ncc(C)c(OC)c1C)CS(C)(=O)=O ZINC000060706011 184154377 /nfs/dbraw/zinc/15/43/77/184154377.db2.gz YAGGSMNLMONKAY-GFCCVEGCSA-N 1 0 300.424 1.272 10 0 DDAERO O=C(CN1CCC[NH2+]CC1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000061271129 184167198 /nfs/dbraw/zinc/16/71/98/184167198.db2.gz 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/nfs/dbraw/zinc/18/08/77/184180877.db2.gz COFPOCGRJCINAH-LBPRGKRZSA-N 1 0 304.463 1.735 10 0 DDAERO C[C@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000061950874 184198445 /nfs/dbraw/zinc/19/84/45/184198445.db2.gz XKCPCXRAHJBJFD-WOPDTQHZSA-N 1 0 307.360 1.456 10 0 DDAERO Cc1c(N)cc(S(=O)(=O)NCC[N@@H+](C)C2CC2)cc1Cl ZINC000061992568 184200724 /nfs/dbraw/zinc/20/07/24/184200724.db2.gz QTYBZJDNKXNERE-UHFFFAOYSA-N 1 0 317.842 1.603 10 0 DDAERO CCCn1cc(S(=O)(=O)NC[C@@H]2CC[C@H](C)[NH2+]C2)nc1C ZINC000062037538 184202976 /nfs/dbraw/zinc/20/29/76/184202976.db2.gz ZGQNVOCDLZLOHQ-WCQYABFASA-N 1 0 314.455 1.268 10 0 DDAERO C[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000062037919 184203102 /nfs/dbraw/zinc/20/31/02/184203102.db2.gz CXYYNJPIWDABLP-WFASDCNBSA-N 1 0 314.426 1.818 10 0 DDAERO CCC[C@H]([NH2+]CC)[C@@H](CC)N1CCN(S(C)(=O)=O)CC1 ZINC000062083813 184204809 /nfs/dbraw/zinc/20/48/09/184204809.db2.gz AWCFUEAHQFMFMW-UONOGXRCSA-N 1 0 305.488 1.120 10 0 DDAERO [NH3+]C[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)N1CCOCC1 ZINC000062706178 184248615 /nfs/dbraw/zinc/24/86/15/184248615.db2.gz KFYFJRLOAFAFHQ-JTQLQIEISA-N 1 0 302.296 1.080 10 0 DDAERO CC[C@H]([NH3+])Cc1ccc(O[C@@H](C)C(N)=O)c(Br)c1 ZINC000062705217 184248887 /nfs/dbraw/zinc/24/88/87/184248887.db2.gz YMQIZYJVBJJPHP-WPRPVWTQSA-N 1 0 315.211 1.982 10 0 DDAERO CCOC(=O)[C@H](NCC[NH+](C)C)c1cc(F)c(F)c(F)c1 ZINC000062718630 184250751 /nfs/dbraw/zinc/25/07/51/184250751.db2.gz DGCIATQKWNSIMW-CYBMUJFWSA-N 1 0 304.312 1.859 10 0 DDAERO CNS(=O)(=O)c1ccc(NC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000062838570 184255580 /nfs/dbraw/zinc/25/55/80/184255580.db2.gz IXZYTJLGINGOHI-OAHLLOKOSA-N 1 0 305.403 1.707 10 0 DDAERO Cc1ccc(S(C)(=O)=O)cc1NC(=O)C1(C)CC[NH2+]CC1 ZINC000062840086 184255639 /nfs/dbraw/zinc/25/56/39/184255639.db2.gz PBULGJFBIDWSJB-UHFFFAOYSA-N 1 0 310.419 1.727 10 0 DDAERO CC1(C(=O)Nc2cccc(NS(C)(=O)=O)c2)CC[NH2+]CC1 ZINC000062841156 184255815 /nfs/dbraw/zinc/25/58/15/184255815.db2.gz 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C[C@H]([NH3+])C[S@@](=O)CCOc1ccc(Br)cc1 ZINC000088069424 185238564 /nfs/dbraw/zinc/23/85/64/185238564.db2.gz BKBSWTIQKOESTL-XXFAHNHDSA-N 1 0 306.225 1.924 10 0 DDAERO CCn1nc(C)c(Br)c1C[S@](=O)[C@@H](C)C[NH3+] ZINC000088068135 185238625 /nfs/dbraw/zinc/23/86/25/185238625.db2.gz JUKUDTAGTDLGEV-HYORBCNSSA-N 1 0 308.245 1.570 10 0 DDAERO Nc1[nH+]c2ccc(Br)cc2n1[C@H]1CCC(=O)NC1 ZINC000087837599 185233185 /nfs/dbraw/zinc/23/31/85/185233185.db2.gz ZKEXOZATHLILMJ-QMMMGPOBSA-N 1 0 309.167 1.832 10 0 DDAERO Nc1[nH+]c2ccc(Br)cc2n1C[C@@H]1COCCO1 ZINC000087837012 185233201 /nfs/dbraw/zinc/23/32/01/185233201.db2.gz CBVMKIWTTGUNGO-SECBINFHSA-N 1 0 312.167 1.796 10 0 DDAERO C[C@H]1CSCCN1c1nc(NN)[nH+]cc1Br ZINC000087879143 185234356 /nfs/dbraw/zinc/23/43/56/185234356.db2.gz PIFVENNEVLKQOS-LURJTMIESA-N 1 0 304.217 1.466 10 0 DDAERO NS(=O)(=O)c1ccc(Oc2ccc(CC[NH3+])cc2)c(F)c1 ZINC000087882021 185234373 /nfs/dbraw/zinc/23/43/73/185234373.db2.gz GFHFTZVZJAWXCE-UHFFFAOYSA-N 1 0 310.350 1.767 10 0 DDAERO COc1ccc(Br)c(NC[C@@H](O)C[NH+](C)C)c1 ZINC000088319564 185245504 /nfs/dbraw/zinc/24/55/04/185245504.db2.gz DBTAHLPWCVRTSK-SECBINFHSA-N 1 0 303.200 1.792 10 0 DDAERO Cc1ccccc1S(=O)(=O)[C@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000081978406 192348777 /nfs/dbraw/zinc/34/87/77/192348777.db2.gz NJQPUNAWQQTEHC-OCCSQVGLSA-N 1 0 311.403 1.392 10 0 DDAERO C[NH2+]CCc1nnc(-c2cc(OC)c(OC)cc2OC)s1 ZINC000088822702 185266704 /nfs/dbraw/zinc/26/67/04/185266704.db2.gz BKVUAQTWUVSMGC-UHFFFAOYSA-N 1 0 309.391 1.993 10 0 DDAERO COc1ccc(C[C@H](C)[NH2+][C@@H]2C=CS(=O)(=O)C2)cc1OC ZINC000088853985 185267118 /nfs/dbraw/zinc/26/71/18/185267118.db2.gz ZAODRNBWVBUNKJ-WCQYABFASA-N 1 0 311.403 1.535 10 0 DDAERO CC[C@@H]1C[NH2+][C@@H](C2CCCCC2)CN1[C@H]1C=CS(=O)(=O)C1 ZINC000088860358 185267348 /nfs/dbraw/zinc/26/73/48/185267348.db2.gz RCTOAQMHZKAEPW-OWCLPIDISA-N 1 0 312.479 1.930 10 0 DDAERO CC(C)[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1[C@H]1C=CS(=O)(=O)C1 ZINC000088860385 185267543 /nfs/dbraw/zinc/26/75/43/185267543.db2.gz FPTNEKZPRGUNIG-IHRRRGAJSA-N 1 0 300.468 1.642 10 0 DDAERO CCOc1ccc([C@@H]([NH3+])CS(=O)(=O)CCCOC)cc1 ZINC000081986232 192349314 /nfs/dbraw/zinc/34/93/14/192349314.db2.gz BLNCOKCGJJFPET-AWEZNQCLSA-N 1 0 301.408 1.536 10 0 DDAERO Cc1ccccc1S(=O)(=O)NCc1cccc(C(N)=[NH2+])c1 ZINC000088717006 185263048 /nfs/dbraw/zinc/26/30/48/185263048.db2.gz FYBYSQMNJFXNGW-UHFFFAOYSA-N 1 0 303.387 1.758 10 0 DDAERO CCOC(=O)CS(=O)(=O)[C@H]1C[C@@H](C(C)C)CC[C@@H]1[NH2+]C ZINC000081977855 192349847 /nfs/dbraw/zinc/34/98/47/192349847.db2.gz PRTYPEAMVIRWES-AVGNSLFASA-N 1 0 305.440 1.377 10 0 DDAERO C[C@](O)(CO)C[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000090285869 185289342 /nfs/dbraw/zinc/28/93/42/185289342.db2.gz KXJBAOIQIPLBQZ-ZIAGYGMSSA-N 1 0 314.223 1.639 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NC(=O)c1cc(Br)c[nH]1 ZINC000090312405 185290666 /nfs/dbraw/zinc/29/06/66/185290666.db2.gz CEKFMWACHIBEJT-QNSHHTMESA-N 1 0 302.172 1.012 10 0 DDAERO C[NH2+][C@@H]1CCC2(C[C@H]1S(=O)(=O)CC1CCCC1)OCCO2 ZINC000081991067 192352574 /nfs/dbraw/zinc/35/25/74/192352574.db2.gz HCVOCLVNTHUJRW-ZIAGYGMSSA-N 1 0 317.451 1.475 10 0 DDAERO CC[NH2+][C@H](C[S@@](=O)CCCOC)c1ccc2c(c1)OCO2 ZINC000081999002 192353828 /nfs/dbraw/zinc/35/38/28/192353828.db2.gz SXDXHCRGKDLDPX-LRTDBIEQSA-N 1 0 313.419 1.851 10 0 DDAERO CN(CCOc1ccc(Cl)cc1)C(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090590503 185305563 /nfs/dbraw/zinc/30/55/63/185305563.db2.gz KTYWISDPARXTTM-ZFWWWQNUSA-N 1 0 312.797 1.541 10 0 DDAERO CCOCCCN(CC(F)(F)F)C(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090593101 185305731 /nfs/dbraw/zinc/30/57/31/185305731.db2.gz JCCZFKSJMMJDGQ-JQWIXIFHSA-N 1 0 312.332 1.168 10 0 DDAERO C[C@]1(C(=O)NCc2ccc(OC(F)F)cc2)COC[C@H]1[NH3+] ZINC000090598295 185305851 /nfs/dbraw/zinc/30/58/51/185305851.db2.gz BLBYOEKKVWIFDZ-RISCZKNCSA-N 1 0 300.305 1.268 10 0 DDAERO C[NH+](C)C[C@H]1CSCCCN1C(=O)COc1cccnc1 ZINC000090699667 185310111 /nfs/dbraw/zinc/31/01/11/185310111.db2.gz SONYXBWJHWSHON-ZDUSSCGKSA-N 1 0 309.435 1.356 10 0 DDAERO CC[NH2+]C[C@H](C)Cc1c(C)nn(CCS(=O)(=O)CC)c1C ZINC000092323602 185312218 /nfs/dbraw/zinc/31/22/18/185312218.db2.gz SDNIPTSJHXTHPM-GFCCVEGCSA-N 1 0 315.483 1.723 10 0 DDAERO Cc1noc(C)c1[C@@H](C)NS(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000092339895 185312946 /nfs/dbraw/zinc/31/29/46/185312946.db2.gz NYJLQCCLWINYDR-PWSUYJOCSA-N 1 0 301.412 1.414 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cnc(Cl)nc1 ZINC000092627840 185330268 /nfs/dbraw/zinc/33/02/68/185330268.db2.gz YVGZGCSNGQFMRN-SNVBAGLBSA-N 1 0 318.830 1.235 10 0 DDAERO [NH3+]C1CCN(CC(=O)NC2CCC(C(F)(F)F)CC2)CC1 ZINC000092713938 185335842 /nfs/dbraw/zinc/33/58/42/185335842.db2.gz XDDXZOSSOORYPW-UHFFFAOYSA-N 1 0 307.360 1.647 10 0 DDAERO CCN(C1CCC([NH3+])CC1)S(=O)(=O)c1cn(CC)cn1 ZINC000092910675 185348422 /nfs/dbraw/zinc/34/84/22/185348422.db2.gz GYXJSAUREJAZAE-UHFFFAOYSA-N 1 0 300.428 1.184 10 0 DDAERO Cc1cc(NC(=O)[C@@H]2CC[NH2+][C@H]2C)ccc1NS(C)(=O)=O ZINC000092952741 185350352 /nfs/dbraw/zinc/35/03/52/185350352.db2.gz XDNXEDDBOORIHI-CMPLNLGQSA-N 1 0 311.407 1.303 10 0 DDAERO C[C@@H](Nc1ccccc1S(=O)(=O)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000050163902 190679647 /nfs/dbraw/zinc/67/96/47/190679647.db2.gz CVJNEOFDXMKUOJ-CHWSQXEVSA-N 1 0 311.451 1.737 10 0 DDAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](C(N)=O)C2)C1 ZINC000109131013 185553919 /nfs/dbraw/zinc/55/39/19/185553919.db2.gz MLSDSFOFVJLMQV-STQMWFEESA-N 1 0 311.426 1.441 10 0 DDAERO CC[C@@H]([NH3+])Cc1ccc(N2CCS(=O)(=O)CC2)c(F)c1 ZINC000111494361 185609090 /nfs/dbraw/zinc/60/90/90/185609090.db2.gz RULABYXYXDOOOL-GFCCVEGCSA-N 1 0 300.399 1.340 10 0 DDAERO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000286808388 219176376 /nfs/dbraw/zinc/17/63/76/219176376.db2.gz ICHQXRKMXDOMCZ-QMMMGPOBSA-N 1 0 307.778 1.199 10 0 DDAERO CC(C)(C)OC(=O)Nc1ccc([C@@H]2C[NH2+]CCN2CCO)cc1 ZINC000616636439 362765214 /nfs/dbraw/zinc/76/52/14/362765214.db2.gz SLDPXTOLHULKLM-HNNXBMFYSA-N 1 0 321.421 1.972 10 0 DDAERO CCCCS(=O)(=O)N[C@H]1CC[NH2+]CC[C@H]1C(F)(F)F ZINC000725262938 539570217 /nfs/dbraw/zinc/57/02/17/539570217.db2.gz UPTOSKLYKHBRHO-ZJUUUORDSA-N 1 0 302.362 1.636 10 0 DDAERO CCCn1cc(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)nc1C ZINC000070073861 190855026 /nfs/dbraw/zinc/85/50/26/190855026.db2.gz REYJOKWDGHNHIP-ZDUSSCGKSA-N 1 0 314.455 1.351 10 0 DDAERO CC(C)[C@@H](CNS(=O)(=O)c1cnccc1Cl)[NH+](C)C ZINC000071204438 190941469 /nfs/dbraw/zinc/94/14/69/190941469.db2.gz SZDVSUQWPRLMEU-LLVKDONJSA-N 1 0 305.831 1.600 10 0 DDAERO C[C@H]([NH2+]C(CO)CO)c1ccc(I)cc1 ZINC000083692592 192378004 /nfs/dbraw/zinc/37/80/04/192378004.db2.gz SPDNJWLPAMKYAN-QMMMGPOBSA-N 1 0 321.158 1.295 10 0 DDAERO CCC[NH2+][C@H]1CCN(C(=O)CS(C)(=O)=O)c2ccccc21 ZINC000071324576 190958151 /nfs/dbraw/zinc/95/81/51/190958151.db2.gz GPAVGPOBULPULV-ZDUSSCGKSA-N 1 0 310.419 1.509 10 0 DDAERO CC(C)(C)[C@H]1C[NH2+]C2(CCCC2)CN1CCS(C)(=O)=O ZINC000071358865 190962597 /nfs/dbraw/zinc/96/25/97/190962597.db2.gz KQCJJPJIYZSGAQ-CYBMUJFWSA-N 1 0 302.484 1.664 10 0 DDAERO C[NH2+][C@H]1CCC2(C[C@H]1[S@](=O)c1ccccc1C)OCCO2 ZINC000084039648 192396667 /nfs/dbraw/zinc/39/66/67/192396667.db2.gz RWNBTPSVBASOMY-KUUHDYPXSA-N 1 0 309.431 1.986 10 0 DDAERO CC[NH+](CC)CCN(C[C@H](C)C(=O)OC)C(=O)[C@@H]1CCCO1 ZINC000071605708 190993161 /nfs/dbraw/zinc/99/31/61/190993161.db2.gz IAQHLBQDRWSSOB-KBPBESRZSA-N 1 0 314.426 1.145 10 0 DDAERO CN(CCc1ccncc1)C(=O)Cc1csc(CCC[NH3+])n1 ZINC000071695593 191008208 /nfs/dbraw/zinc/00/82/08/191008208.db2.gz HAVXMEITHLBVIR-UHFFFAOYSA-N 1 0 318.446 1.673 10 0 DDAERO CC(=O)Nc1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000171899825 198004317 /nfs/dbraw/zinc/00/43/17/198004317.db2.gz NMTGIFVJCYSOCZ-INIZCTEOSA-N 1 0 316.405 1.635 10 0 DDAERO Cc1ccccc1CCNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000172046853 198029992 /nfs/dbraw/zinc/02/99/92/198029992.db2.gz CXTMYCYCZXNMBS-INIZCTEOSA-N 1 0 305.422 1.510 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(Cc2ccc(F)cc2C(=O)OC)CC1 ZINC000174078912 198288274 /nfs/dbraw/zinc/28/82/74/198288274.db2.gz VZFLQWFFXUEMDE-HNNXBMFYSA-N 1 0 324.396 1.501 10 0 DDAERO CC(=O)NC1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000084962273 353730506 /nfs/dbraw/zinc/73/05/06/353730506.db2.gz DUJBABIQXXXCTM-KRWDZBQOSA-N 1 0 306.406 1.165 10 0 DDAERO CC(C)CC(=O)N[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)C(C)C ZINC000108325927 353950333 /nfs/dbraw/zinc/95/03/33/353950333.db2.gz DCJUULULYQRTSL-HOCLYGCPSA-N 1 0 311.470 1.631 10 0 DDAERO C[C@@H]([NH3+])[C@H]1CCN(c2ncc(I)cn2)C1 ZINC000126290008 354053006 /nfs/dbraw/zinc/05/30/06/354053006.db2.gz SBCUXURVDNVBMF-SFYZADRCSA-N 1 0 318.162 1.255 10 0 DDAERO Ic1cnc(N[C@H]2CCC[NH2+]C2)nc1 ZINC000126254112 354053060 /nfs/dbraw/zinc/05/30/60/354053060.db2.gz UYHYALZPBWILJA-QMMMGPOBSA-N 1 0 304.135 1.245 10 0 DDAERO CC[C@@H]1CN(C(=O)NCCCCSC)CC[N@@H+]1CCOC ZINC000153628786 354200194 /nfs/dbraw/zinc/20/01/94/354200194.db2.gz BJKZCLYVGIKDIL-CQSZACIVSA-N 1 0 317.499 1.882 10 0 DDAERO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cnn2ccncc12 ZINC000248821605 354371284 /nfs/dbraw/zinc/37/12/84/354371284.db2.gz FKZKENRKDVMBIL-STQMWFEESA-N 1 0 301.394 1.580 10 0 DDAERO C[N@H+](CC1CC1)C[C@@H]1CN(C(=O)[C@H](O)c2ccccc2)CCO1 ZINC000328631918 354554252 /nfs/dbraw/zinc/55/42/52/354554252.db2.gz KYLLJFLDKRHSQS-IAGOWNOFSA-N 1 0 318.417 1.289 10 0 DDAERO CN1CC[C@@H](C[NH2+]Cc2cnc3cnccn23)[C@@H]1c1cccnc1 ZINC000328640746 354557322 /nfs/dbraw/zinc/55/73/22/354557322.db2.gz QDRLTBPKBHRXCX-YJBOKZPZSA-N 1 0 322.416 1.907 10 0 DDAERO [NH3+][C@@H]1CC(F)(F)C[C@H]1NC(=O)c1ccccc1-n1nccn1 ZINC000584592098 354743528 /nfs/dbraw/zinc/74/35/28/354743528.db2.gz NLLVPPPWEIKZIE-GHMZBOCLSA-N 1 0 307.304 1.122 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000078888524 191938091 /nfs/dbraw/zinc/93/80/91/191938091.db2.gz ILYSERVTSIWCIS-STQMWFEESA-N 1 0 312.458 1.415 10 0 DDAERO Cc1csc([C@@H](C)NS(=O)(=O)C[C@H]2CCC[NH2+]C2)n1 ZINC000080315352 192023219 /nfs/dbraw/zinc/02/32/19/192023219.db2.gz LXAFHMYSCZASKT-MNOVXSKESA-N 1 0 303.453 1.432 10 0 DDAERO C[C@@H]1CCC[C@]([NH3+])(C(=O)N(C)CC(=O)NCC(F)(F)F)C1 ZINC000080921536 192200553 /nfs/dbraw/zinc/20/05/53/192200553.db2.gz QJQQNOVISZARSE-BXKDBHETSA-N 1 0 309.332 1.031 10 0 DDAERO CC[NH2+]C(C)(C)C(=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081134470 192229577 /nfs/dbraw/zinc/22/95/77/192229577.db2.gz VPCSFUVPBKOXRV-UHFFFAOYSA-N 1 0 305.304 1.027 10 0 DDAERO CC[NH2+][C@H]1CCC[C@@H]1N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081533757 192284481 /nfs/dbraw/zinc/28/44/81/192284481.db2.gz AAGWHCAOSWZUSC-UWVGGRQHSA-N 1 0 303.332 1.643 10 0 DDAERO CCC([NH3+])(CC)CNS(=O)(=O)c1cc(F)c(F)cc1F ZINC000236850514 202037570 /nfs/dbraw/zinc/03/75/70/202037570.db2.gz ZWYKKUDUYVSSNM-UHFFFAOYSA-N 1 0 310.341 1.900 10 0 DDAERO CC(C)[C@@H](C[NH+](C)C)NS(=O)(=O)c1cnc(N)c(Cl)c1 ZINC000081693689 192314386 /nfs/dbraw/zinc/31/43/86/192314386.db2.gz JNPGKNFZBREBAW-LLVKDONJSA-N 1 0 320.846 1.182 10 0 DDAERO [NH3+]C[C@H]1CCCN1c1ncncc1I ZINC000085468138 192509669 /nfs/dbraw/zinc/50/96/69/192509669.db2.gz VSZLKSFERJJNLX-SSDOTTSWSA-N 1 0 304.135 1.009 10 0 DDAERO CCN(CC(=O)Nc1cccc(OC)c1)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000236908515 202065445 /nfs/dbraw/zinc/06/54/45/202065445.db2.gz ZBJCUCIOMAKTRF-LSDHHAIUSA-N 1 0 319.405 1.610 10 0 DDAERO CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000236942437 202085203 /nfs/dbraw/zinc/08/52/03/202085203.db2.gz NVGRMDDKJHPFTK-GKYBTWCOSA-N 1 0 318.508 1.278 10 0 DDAERO CCC[C@@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000236970603 202100815 /nfs/dbraw/zinc/10/08/15/202100815.db2.gz TXOCWKGWQSSRNY-VNHYZAJKSA-N 1 0 320.437 1.439 10 0 DDAERO CC(C)[C@H]([NH3+])CCNc1ncc(I)cn1 ZINC000596030157 356749743 /nfs/dbraw/zinc/74/97/43/356749743.db2.gz LQZWDWBMAKQJFX-SECBINFHSA-N 1 0 320.178 1.288 10 0 DDAERO C[NH2+]CCCc1ccc(S(=O)(=O)N2CCOC[C@@H]2C)cc1 ZINC000088960636 192669526 /nfs/dbraw/zinc/66/95/26/192669526.db2.gz HPAUEQXIWUEUPC-ZDUSSCGKSA-N 1 0 312.435 1.248 10 0 DDAERO CC[C@H]1CN(C(=O)c2cc(F)ccc2O)CC[N@@H+]1C[C@@H](C)O ZINC000179643235 199069166 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SFJJVEUADWLTEX-ZIAGYGMSSA-N 1 0 312.479 1.889 10 0 DDAERO C[C@@]1(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)CCC[NH2+]C1 ZINC000062857009 184256999 /nfs/dbraw/zinc/25/69/99/184256999.db2.gz VZDRQXPERUEQLY-IIAWOOMASA-N 1 0 312.479 1.889 10 0 DDAERO Cc1nnc(N2CCC[N@@H+]3CCC[C@@H]3C2)c(C(N)=S)c1C ZINC000062943025 184262146 /nfs/dbraw/zinc/26/21/46/184262146.db2.gz RUNFFIQAJPXFBR-GFCCVEGCSA-N 1 0 305.451 1.402 10 0 DDAERO CC[NH2+][C@@H](C)c1cnc(N2CC[C@H](N3CCOCC3)C2)s1 ZINC000062975235 184263370 /nfs/dbraw/zinc/26/33/70/184263370.db2.gz OTRXIXYKPJQOEE-STQMWFEESA-N 1 0 310.467 1.725 10 0 DDAERO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cnc(Cl)s2)C1 ZINC000062970778 184263909 /nfs/dbraw/zinc/26/39/09/184263909.db2.gz CZJLUBRMCXVBDO-VIFPVBQESA-N 1 0 323.871 1.901 10 0 DDAERO OCc1c(N2CC[C@H]([NH+]3CCCCC3)C2)nc2sccn12 ZINC000062981358 184264045 /nfs/dbraw/zinc/26/40/45/184264045.db2.gz NURFCYDNGDFJJP-LBPRGKRZSA-N 1 0 306.435 1.953 10 0 DDAERO Nc1csc(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000062975779 184264204 /nfs/dbraw/zinc/26/42/04/184264204.db2.gz GTHREGBGGUEWKC-LBPRGKRZSA-N 1 0 315.464 1.579 10 0 DDAERO CCCOc1nc(Cl)nc(N2CC[C@H]([NH+]3CCCC3)C2)n1 ZINC000062983365 184264381 /nfs/dbraw/zinc/26/43/81/184264381.db2.gz UXDGYQWBJWRKIC-NSHDSACASA-N 1 0 311.817 1.988 10 0 DDAERO C[NH2+]Cc1nc(N2CC[C@@H](N3CCOCC3)C2)ccc1Cl ZINC000062983171 184264456 /nfs/dbraw/zinc/26/44/56/184264456.db2.gz SPXIPYYFPRUDBK-GFCCVEGCSA-N 1 0 310.829 1.365 10 0 DDAERO CCC[NH2+][C@H](C)c1c(C)nn(CCCS(C)(=O)=O)c1C ZINC000063018578 184267212 /nfs/dbraw/zinc/26/72/12/184267212.db2.gz ZDWPBTMVVHDIJK-LLVKDONJSA-N 1 0 301.456 1.995 10 0 DDAERO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cnc(Cl)nc1 ZINC000063121940 184271508 /nfs/dbraw/zinc/27/15/08/184271508.db2.gz IZOSKGVDFWHPMV-UHFFFAOYSA-N 1 0 318.830 1.092 10 0 DDAERO CC[NH2+][C@H](CCSc1ccc(S(C)(=O)=O)cc1)C(N)=O ZINC000063131942 184272220 /nfs/dbraw/zinc/27/22/20/184272220.db2.gz ZHTKCRNYFZPORI-GFCCVEGCSA-N 1 0 316.448 1.036 10 0 DDAERO CC(C)[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cncc(F)c2)C1 ZINC000063138810 184273399 /nfs/dbraw/zinc/27/33/99/184273399.db2.gz REUHRCDDXTTWTH-GFCCVEGCSA-N 1 0 315.414 1.619 10 0 DDAERO O=c1cc2c(nn1Cc1cccc(Br)c1)CC[NH2+]C2 ZINC000063169720 184275557 /nfs/dbraw/zinc/27/55/57/184275557.db2.gz NTDNYYGWWFKDEV-UHFFFAOYSA-N 1 0 320.190 1.700 10 0 DDAERO C[NH2+]C[C@H]1CCCCN1Cc1csc(CC(=O)N(C)C)n1 ZINC000063168453 184275739 /nfs/dbraw/zinc/27/57/39/184275739.db2.gz BRJFTZLECKYFSL-CYBMUJFWSA-N 1 0 310.467 1.348 10 0 DDAERO CCCCNC(=O)c1ccc(NC(=O)C[NH2+]CCCOC)cc1 ZINC000066068346 184386524 /nfs/dbraw/zinc/38/65/24/184386524.db2.gz BTRPRXDYOVHESH-UHFFFAOYSA-N 1 0 321.421 1.781 10 0 DDAERO C[C@@H]1C[NH2+]C[C@H](C)N1S(=O)(=O)c1ccc(Cl)cc1F ZINC000069133633 184499895 /nfs/dbraw/zinc/49/98/95/184499895.db2.gz FMOQOYVHWRCZTB-DTORHVGOSA-N 1 0 306.790 1.850 10 0 DDAERO Cc1cc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)ccc1OC1CCOCC1 ZINC000159224410 197337413 /nfs/dbraw/zinc/33/74/13/197337413.db2.gz IRUGHTXCTPTBDS-HIFRSBDPSA-N 1 0 320.389 1.214 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCCNC(=O)C(C)(C)C ZINC000177018631 285270124 /nfs/dbraw/zinc/27/01/24/285270124.db2.gz POZOTWLFGDFPOO-AWEZNQCLSA-N 1 0 311.470 1.872 10 0 DDAERO CC[C@H]1CN(Cc2cccc3c2OCO3)CC[N@@H+]1CCOC ZINC000120927956 195266049 /nfs/dbraw/zinc/26/60/49/195266049.db2.gz NDIAXPHLJLTMLF-HNNXBMFYSA-N 1 0 306.406 1.958 10 0 DDAERO Cc1ccc(C[N@@H+]2C[C@H]3COC[C@@]3(CN3CCOCC3)C2)cc1 ZINC000248111000 257109766 /nfs/dbraw/zinc/10/97/66/257109766.db2.gz QTEONVZLJUUIBS-RBUKOAKNSA-N 1 0 316.445 1.776 10 0 DDAERO Cc1ncsc1C[N@@H+]1C[C@H]2COC[C@@]2(C(=O)NCC2CC2)C1 ZINC000248004917 257111825 /nfs/dbraw/zinc/11/18/25/257111825.db2.gz DHXLICXUWPYECT-BBRMVZONSA-N 1 0 321.446 1.426 10 0 DDAERO COCCNC(=O)[C@@H]1C[C@H]2CC[N@H+](Cc3ccsc3)C[C@H]2O1 ZINC000247835848 257116529 /nfs/dbraw/zinc/11/65/29/257116529.db2.gz JGMMNAZLISVLSJ-QLFBSQMISA-N 1 0 324.446 1.490 10 0 DDAERO O=C(NCc1ccco1)[C@@H]1C[N@H+](CC2CC2)C[C@@H]2OCC[C@@H]21 ZINC000247489726 257119142 /nfs/dbraw/zinc/11/91/42/257119142.db2.gz LYPIKFIRHLZFDF-OAGGEKHMSA-N 1 0 304.390 1.643 10 0 DDAERO O=C(NCC1CC1)[C@@H]1C[C@@H]2OCC[C@@H]2[N@H+](Cc2ccco2)C1 ZINC000247481778 257119737 /nfs/dbraw/zinc/11/97/37/257119737.db2.gz JGUQNROANVXCNL-KBMXLJTQSA-N 1 0 304.390 1.785 10 0 DDAERO C[C@@H]1CCN(CC(=O)Nc2cc(C(C)(C)C)no2)[C@@H](C[NH3+])C1 ZINC000262526427 296552517 /nfs/dbraw/zinc/55/25/17/296552517.db2.gz OZLHJMMCNHIURF-VXGBXAGGSA-N 1 0 308.426 1.970 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000232036073 484171410 /nfs/dbraw/zinc/17/14/10/484171410.db2.gz WSSUMEVRPQYLPB-SNVBAGLBSA-N 1 0 301.184 1.978 10 0 DDAERO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1cnn(C)c1C ZINC000261651794 407569512 /nfs/dbraw/zinc/56/95/12/407569512.db2.gz HKCFINYGZGXNOJ-MRXNPFEDSA-N 1 0 300.406 1.884 10 0 DDAERO COCc1cc(N2CC[C@@H]([NH3+])C2)nc(-c2ccc(OC)cc2)n1 ZINC000070455862 406816564 /nfs/dbraw/zinc/81/65/64/406816564.db2.gz YPAOPKODDDVLQM-CYBMUJFWSA-N 1 0 314.389 1.836 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(Br)cc2O)C1 ZINC000071140103 406832359 /nfs/dbraw/zinc/83/23/59/406832359.db2.gz BHTMMORGOYLJST-JTQLQIEISA-N 1 0 313.195 1.931 10 0 DDAERO C[C@@H]1C[C@@H]1NC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000076083920 406953847 /nfs/dbraw/zinc/95/38/47/406953847.db2.gz LZYUTSPVBBYMKT-DOMZBBRYSA-N 1 0 318.421 1.186 10 0 DDAERO COc1ncccc1CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000079194577 407051811 /nfs/dbraw/zinc/05/18/11/407051811.db2.gz ACFXCUKEXUZVTC-CQSZACIVSA-N 1 0 308.426 1.866 10 0 DDAERO CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCC[NH+](C)C ZINC000045164568 407039682 /nfs/dbraw/zinc/03/96/82/407039682.db2.gz NWDQYJFWRFSAMY-HOCLYGCPSA-N 1 0 319.449 1.899 10 0 DDAERO [NH3+]C1CCC(C(=O)N2CCN(Cc3cccs3)CC2)CC1 ZINC000037800882 406994133 /nfs/dbraw/zinc/99/41/33/406994133.db2.gz GGOMDKPEYSHXBH-UHFFFAOYSA-N 1 0 307.463 1.910 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)CCCNC(=O)OC(C)(C)C)C1 ZINC000060416636 407225239 /nfs/dbraw/zinc/22/52/39/407225239.db2.gz OQPZAIYZFSKCTH-ZDUSSCGKSA-N 1 0 313.442 1.892 10 0 DDAERO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)c3ccco3)CC2)C1 ZINC000105817858 407355628 /nfs/dbraw/zinc/35/56/28/407355628.db2.gz MBIVOFQHDDHZAV-OAHLLOKOSA-N 1 0 321.421 1.147 10 0 DDAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCN(C2CC2)CC1 ZINC000106912092 407366268 /nfs/dbraw/zinc/36/62/68/407366268.db2.gz ZNZDYHAPDNBCOI-QGZVFWFLSA-N 1 0 301.434 1.466 10 0 DDAERO COC(=O)c1ccc(CCC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000109272380 407396306 /nfs/dbraw/zinc/39/63/06/407396306.db2.gz IWLOAQYRHSDYPL-OAHLLOKOSA-N 1 0 304.390 1.568 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(C3N=NC(=S)O3)cc2)C1 ZINC000126788503 407421881 /nfs/dbraw/zinc/42/18/81/407421881.db2.gz GFGGLDMAVQGBBW-LBPRGKRZSA-N 1 0 318.402 1.801 10 0 DDAERO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)c1 ZINC000112548922 407432217 /nfs/dbraw/zinc/43/22/17/407432217.db2.gz ARURDEZGADYHJR-MLGOLLRUSA-N 1 0 319.405 1.136 10 0 DDAERO Cc1nc(C)c(CCC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(=O)[nH]1 ZINC000113225022 407476937 /nfs/dbraw/zinc/47/69/37/407476937.db2.gz ZRNZXULNNJPMJF-FZMZJTMJSA-N 1 0 318.421 1.014 10 0 DDAERO C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113227347 407477066 /nfs/dbraw/zinc/47/70/66/407477066.db2.gz JQRBFFOJYWMIFW-RWMBFGLXSA-N 1 0 311.426 1.595 10 0 DDAERO CC(C)CS(=O)(=O)CCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113232931 407482541 /nfs/dbraw/zinc/48/25/41/407482541.db2.gz GAUWVMUIBIRISN-ZIAGYGMSSA-N 1 0 316.467 1.142 10 0 DDAERO CCn1cc(C[NH+]2CCC3(CC[C@H]3NC(=O)COC)CC2)cn1 ZINC000257187932 407484395 /nfs/dbraw/zinc/48/43/95/407484395.db2.gz MGCGVSRIDGKNCZ-OAHLLOKOSA-N 1 0 320.437 1.410 10 0 DDAERO Cc1csc2nc(CN3C[C@@H]4CCC[N@H+]4C[C@@H]3C)cc(=O)n12 ZINC000113268380 407485963 /nfs/dbraw/zinc/48/59/63/407485963.db2.gz GOCYLXBMFFSBPW-FZMZJTMJSA-N 1 0 318.446 1.733 10 0 DDAERO CC(C)CCOCCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000185775107 407499281 /nfs/dbraw/zinc/49/92/81/407499281.db2.gz YLFZVFFHLDEWMS-LSDHHAIUSA-N 1 0 315.458 1.146 10 0 DDAERO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(Cc2nncn2C)C1 ZINC000195251506 407445713 /nfs/dbraw/zinc/44/57/13/407445713.db2.gz RGCJMFZQWAPUBJ-ZDUSSCGKSA-N 1 0 320.466 1.534 10 0 DDAERO CCc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185531932 407449962 /nfs/dbraw/zinc/44/99/62/407449962.db2.gz PBFCPKUWLPANJO-ZDUSSCGKSA-N 1 0 320.441 1.411 10 0 DDAERO O[C@H](COC[C@@H]1CCCO1)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195512820 407462634 /nfs/dbraw/zinc/46/26/34/407462634.db2.gz ZCYNHCZLXJNOQY-GJZGRUSLSA-N 1 0 309.410 1.146 10 0 DDAERO NC(=O)c1ccc(NC(=O)[C@@H]([NH3+])C2CCOCC2)cc1Cl ZINC000261696572 407583606 /nfs/dbraw/zinc/58/36/06/407583606.db2.gz HUPZHKJAGSCAQE-LBPRGKRZSA-N 1 0 311.769 1.131 10 0 DDAERO COC(=O)c1ccc(CCNC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170828001 407520355 /nfs/dbraw/zinc/52/03/55/407520355.db2.gz NNJFKLCZTPHIGG-HNNXBMFYSA-N 1 0 319.405 1.361 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000170830583 407522173 /nfs/dbraw/zinc/52/21/73/407522173.db2.gz UUVVUXMAGAOMML-WBVHZDCISA-N 1 0 316.449 1.858 10 0 DDAERO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000151928516 407528318 /nfs/dbraw/zinc/52/83/18/407528318.db2.gz BDIWBLVYKDOZNU-QWHCGFSZSA-N 1 0 311.426 1.454 10 0 DDAERO CCc1cccc(C)c1NC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170845478 407528891 /nfs/dbraw/zinc/52/88/91/407528891.db2.gz XXDQCLZFQUFVGG-AWEZNQCLSA-N 1 0 303.406 1.658 10 0 DDAERO COc1cc(CC(=O)N2CC[C@@H]([NH+](C)C)C2)cc(OC)c1OC ZINC000170863614 407535871 /nfs/dbraw/zinc/53/58/71/407535871.db2.gz VANSXZQVQLHAPZ-CYBMUJFWSA-N 1 0 322.405 1.417 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)NCc2ccc(C(C)(C)O)cc2)C1 ZINC000185942753 407546716 /nfs/dbraw/zinc/54/67/16/407546716.db2.gz GBKYEZJIEVWCSJ-HNNXBMFYSA-N 1 0 305.422 1.760 10 0 DDAERO Cc1nsc(N2CCN(C(=O)[C@@H]3CCC[C@H]([NH3+])C3)CC2)n1 ZINC000178820182 407614032 /nfs/dbraw/zinc/61/40/32/407614032.db2.gz HIUCIRCTKOCADV-NEPJUHHUSA-N 1 0 309.439 1.013 10 0 DDAERO COc1cccc(OCCN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000152598385 407659857 /nfs/dbraw/zinc/65/98/57/407659857.db2.gz AABZHBUMYFWRMP-HUUCEWRRSA-N 1 0 308.422 1.461 10 0 DDAERO O=C(CC[N@@H+]1CC[C@@H](Oc2cccnc2)C1)NC1CCCC1 ZINC000152398096 407629329 /nfs/dbraw/zinc/62/93/29/407629329.db2.gz LZXYPXRNAOSVBJ-MRXNPFEDSA-N 1 0 303.406 1.984 10 0 DDAERO COCCc1noc(CN2CC[C@@H](Oc3cccnc3)C2)n1 ZINC000152413431 407633285 /nfs/dbraw/zinc/63/32/85/407633285.db2.gz SCOFUELNAQBIFQ-CYBMUJFWSA-N 1 0 304.350 1.307 10 0 DDAERO Cc1nc(-c2ccc(NC(=O)C3([NH3+])CCOCC3)cc2)n[nH]1 ZINC000261928535 407674416 /nfs/dbraw/zinc/67/44/16/407674416.db2.gz VYSAQSRBLOLFSA-UHFFFAOYSA-N 1 0 301.350 1.227 10 0 DDAERO [NH3+][C@@H](C(=O)Nc1cccc(Cn2cncn2)c1)C1CCOCC1 ZINC000261965447 407696566 /nfs/dbraw/zinc/69/65/66/407696566.db2.gz LHSKXOOONRNFAB-OAHLLOKOSA-N 1 0 315.377 1.019 10 0 DDAERO Cn1nccc1C1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000262000762 407708677 /nfs/dbraw/zinc/70/86/77/407708677.db2.gz ZYDHGUGFYGSTCZ-AWEZNQCLSA-N 1 0 302.422 1.516 10 0 DDAERO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3F)C[C@@H]12 ZINC000262032137 407718306 /nfs/dbraw/zinc/71/83/06/407718306.db2.gz ODILAZMHPSFTHA-MKPLZMMCSA-N 1 0 318.801 1.837 10 0 DDAERO O[C@H](COc1ccccc1)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171617867 407721152 /nfs/dbraw/zinc/72/11/52/407721152.db2.gz XYQCHYYXHDGTPP-GJZGRUSLSA-N 1 0 302.378 1.355 10 0 DDAERO COC[C@H]([NH3+])C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000262053493 407725380 /nfs/dbraw/zinc/72/53/80/407725380.db2.gz MXXMLZIVPDDSIP-LBPRGKRZSA-N 1 0 321.204 1.600 10 0 DDAERO CC(C)Cn1ccnc1CN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261901944 407662084 /nfs/dbraw/zinc/66/20/84/407662084.db2.gz HUTDBXIZZAPZJB-OAGGEKHMSA-N 1 0 306.454 1.786 10 0 DDAERO CCNC(=O)c1ccc(C)c(NC(=O)C2([NH3+])CCOCC2)c1 ZINC000262109073 407741301 /nfs/dbraw/zinc/74/13/01/407741301.db2.gz JQNOKABMFHTNGN-UHFFFAOYSA-N 1 0 305.378 1.191 10 0 DDAERO COCc1cc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)ccc1F ZINC000171688311 407742720 /nfs/dbraw/zinc/74/27/20/407742720.db2.gz OPSDDSPNJLPSBW-AWEZNQCLSA-N 1 0 309.385 1.818 10 0 DDAERO O=C(CCCCN1CCOCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171767365 407765148 /nfs/dbraw/zinc/76/51/48/407765148.db2.gz UVKIFFJRXHIHNV-MRXNPFEDSA-N 1 0 309.454 1.186 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)CCO1 ZINC000116786317 407775681 /nfs/dbraw/zinc/77/56/81/407775681.db2.gz OALDRJBCNXPAHM-KUNBBXKYSA-N 1 0 306.450 1.992 10 0 DDAERO CCc1ccc(OCC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000116790577 407775735 /nfs/dbraw/zinc/77/57/35/407775735.db2.gz GRYRDKRLWZKQIJ-INIZCTEOSA-N 1 0 306.406 1.417 10 0 DDAERO C[C@H](OCc1ccccc1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116783928 407776900 /nfs/dbraw/zinc/77/69/00/407776900.db2.gz PGTOOTAGRIAMFV-GOEBONIOSA-N 1 0 306.406 1.381 10 0 DDAERO COC[C@@H]([NH3+])C(=O)NC1(c2cccc(Br)c2)CC1 ZINC000262253501 407777010 /nfs/dbraw/zinc/77/70/10/407777010.db2.gz IULSOYQBDTYFKT-LLVKDONJSA-N 1 0 313.195 1.528 10 0 DDAERO CC(C)Cc1nc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)cs1 ZINC000116797214 407781299 /nfs/dbraw/zinc/78/12/99/407781299.db2.gz MEWHGXXYSGVXCE-GFCCVEGCSA-N 1 0 311.451 1.744 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 ZINC000262284811 407783658 /nfs/dbraw/zinc/78/36/58/407783658.db2.gz XSLJQVMDKUIMAF-IUODEOHRSA-N 1 0 319.405 1.613 10 0 DDAERO COC[C@H]([NH3+])C(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000262263390 407778648 /nfs/dbraw/zinc/77/86/48/407778648.db2.gz JPODMFDLJDJNQA-CABCVRRESA-N 1 0 310.369 1.307 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1ccccc1Sc1nccn1C ZINC000262302844 407791753 /nfs/dbraw/zinc/79/17/53/407791753.db2.gz AZUYRGOEXVMSMY-JTQLQIEISA-N 1 0 306.391 1.484 10 0 DDAERO CCCNC(=O)c1ccc(NC(=O)[C@H]([NH3+])COC)cc1Cl ZINC000262509516 407854315 /nfs/dbraw/zinc/85/43/15/407854315.db2.gz JKRXQQUSYSUDJI-GFCCVEGCSA-N 1 0 313.785 1.392 10 0 DDAERO [NH3+][C@@H]1CC[C@H]2CN(CC(=O)Nc3nc4ccccc4s3)C[C@H]12 ZINC000262528507 407858615 /nfs/dbraw/zinc/85/86/15/407858615.db2.gz PEUGFVFBXXNMMZ-SDDRHHMPSA-N 1 0 316.430 1.904 10 0 DDAERO [NH3+][C@@H]1CC[C@@H]2CN(CC(=O)Nc3nc4ccccc4s3)C[C@@H]12 ZINC000262528503 407859229 /nfs/dbraw/zinc/85/92/29/407859229.db2.gz PEUGFVFBXXNMMZ-IJLUTSLNSA-N 1 0 316.430 1.904 10 0 DDAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@@H](C)CN1CCOCC1 ZINC000180478859 407893049 /nfs/dbraw/zinc/89/30/49/407893049.db2.gz IHHJOGLPOOJUMK-XJKSGUPXSA-N 1 0 306.454 1.895 10 0 DDAERO CC[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccc(C)cc2)CCN1CCOC ZINC000262661299 407893828 /nfs/dbraw/zinc/89/38/28/407893828.db2.gz NSVHMZAGCBUFQT-SJORKVTESA-N 1 0 319.449 1.564 10 0 DDAERO CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262704818 407902891 /nfs/dbraw/zinc/90/28/91/407902891.db2.gz CYTOCFWABSUBKB-OLZOCXBDSA-N 1 0 322.409 1.220 10 0 DDAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000245199183 407948687 /nfs/dbraw/zinc/94/86/87/407948687.db2.gz CXUXHVNFYNJLQW-HOTGVXAUSA-N 1 0 320.433 1.726 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(Cc2cccc3c2OCCO3)CC1 ZINC000118857289 407953415 /nfs/dbraw/zinc/95/34/15/407953415.db2.gz AMJFUSOMAWPNJK-OAHLLOKOSA-N 1 0 306.406 1.346 10 0 DDAERO COC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(C)cc2)C1 ZINC000245405418 407963959 /nfs/dbraw/zinc/96/39/59/407963959.db2.gz SUCNDYCWPIPOPX-CABCVRRESA-N 1 0 307.390 1.620 10 0 DDAERO COC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C)cc2)C1 ZINC000245405419 407964696 /nfs/dbraw/zinc/96/46/96/407964696.db2.gz SUCNDYCWPIPOPX-HUUCEWRRSA-N 1 0 307.390 1.620 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(Cc2ccn(-c3ccccc3)n2)CC1 ZINC000174094067 407913787 /nfs/dbraw/zinc/91/37/87/407913787.db2.gz NBYIODQXGARCFT-SFHVURJKSA-N 1 0 314.433 1.761 10 0 DDAERO COc1cc(C)cc(C)c1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000262772531 407925780 /nfs/dbraw/zinc/92/57/80/407925780.db2.gz MOTVGPYUMDIECC-CYBMUJFWSA-N 1 0 312.435 1.590 10 0 DDAERO CC[C@H]1CN(C(=O)NCCCSC)CC[N@@H+]1C[C@@H](C)O ZINC000181790321 408040227 /nfs/dbraw/zinc/04/02/27/408040227.db2.gz KGLZRDONUAVDPI-OLZOCXBDSA-N 1 0 303.472 1.226 10 0 DDAERO Cc1ccc(NC(=O)c2nc([C@@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263167122 408045293 /nfs/dbraw/zinc/04/52/93/408045293.db2.gz FHCRLIHYWDASQB-LBPRGKRZSA-N 1 0 301.350 1.206 10 0 DDAERO Cc1[nH]nc2nc(C)cc(-c3nc([C@H]4C[NH2+]CCN4C)no3)c12 ZINC000263177634 408047640 /nfs/dbraw/zinc/04/76/40/408047640.db2.gz GHWKSUBTSRZLIQ-LLVKDONJSA-N 1 0 313.365 1.201 10 0 DDAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1cc(Cl)c2c(c1)OCCCO2 ZINC000263186074 408051735 /nfs/dbraw/zinc/05/17/35/408051735.db2.gz HJIYPVAOSVNOCY-WCQYABFASA-N 1 0 312.797 1.171 10 0 DDAERO CC[C@@H]1CN(Cc2ccc(OC)cc2OC)CC[N@@H+]1C[C@H](C)O ZINC000245730590 408052010 /nfs/dbraw/zinc/05/20/10/408052010.db2.gz JQOMWBRHNBEAMP-GOEBONIOSA-N 1 0 322.449 1.981 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1c(C)nn(C)c1C ZINC000245485203 407997278 /nfs/dbraw/zinc/99/72/78/407997278.db2.gz IYKUJIUAQJGSLY-GJZGRUSLSA-N 1 0 319.453 1.805 10 0 DDAERO CCOCC[N@@H+]1CCN([C@H](C)C(=O)N(C)C(C)C)C[C@@H]1CC ZINC000245477175 407998136 /nfs/dbraw/zinc/99/81/36/407998136.db2.gz UGKFLYVZPKGWSO-CVEARBPZSA-N 1 0 313.486 1.674 10 0 DDAERO COC(=O)c1ccccc1C[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000245754812 408061383 /nfs/dbraw/zinc/06/13/83/408061383.db2.gz OKSQMRCIPSGGKH-RHSMWYFYSA-N 1 0 318.417 1.626 10 0 DDAERO C[NH+](C)C[C@H](NC(=O)NOC[C@H]1CCOC1)c1ccccc1 ZINC000189604041 408063891 /nfs/dbraw/zinc/06/38/91/408063891.db2.gz MVFYWCGYDXJGMX-ZFWWWQNUSA-N 1 0 307.394 1.557 10 0 DDAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1ccc(Cl)cc1Br ZINC000263245807 408073041 /nfs/dbraw/zinc/07/30/41/408073041.db2.gz PGVVFPZUMSDWOW-CABZTGNLSA-N 1 0 319.630 1.772 10 0 DDAERO CCO[C@H](C)c1ncc(-c2nc([C@H]3C[NH2+]CCN3C)no2)s1 ZINC000263253681 408075133 /nfs/dbraw/zinc/07/51/33/408075133.db2.gz QGGCVBVXUZMHGH-NXEZZACHSA-N 1 0 323.422 1.867 10 0 DDAERO COC[C@H]([NH3+])C(=O)N[C@H](C)c1nc2ccccc2n1C(F)F ZINC000263261389 408078239 /nfs/dbraw/zinc/07/82/39/408078239.db2.gz SPUUKAHZRXQJIY-BDAKNGLRSA-N 1 0 312.320 1.582 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(-n2ccnn2)c1 ZINC000154743788 408079931 /nfs/dbraw/zinc/07/99/31/408079931.db2.gz WAOULRCEVMNZSS-MRXNPFEDSA-N 1 0 313.405 1.824 10 0 DDAERO Cc1ccc(C)c(OCc2nc([C@@H]3C[NH2+]CCN3C)no2)c1 ZINC000263269719 408084891 /nfs/dbraw/zinc/08/48/91/408084891.db2.gz SBGUIGQTGGTJGC-ZDUSSCGKSA-N 1 0 302.378 1.842 10 0 DDAERO C[C@@H](Oc1cccc(F)c1)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263270665 408085312 /nfs/dbraw/zinc/08/53/12/408085312.db2.gz SDGQKOGXKBQMBN-MFKMUULPSA-N 1 0 306.341 1.925 10 0 DDAERO CC(C)N1CC[C@H]([N@@H+]2CC[C@H](CNc3ccccn3)C2)C1=O ZINC000175252080 408088380 /nfs/dbraw/zinc/08/83/80/408088380.db2.gz INHROZLJQQOBFF-CABCVRRESA-N 1 0 302.422 1.825 10 0 DDAERO O=C1CCCN1C[C@@H](O)C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000119564286 408096760 /nfs/dbraw/zinc/09/67/60/408096760.db2.gz QGRIYCYJTRNTCT-HNNXBMFYSA-N 1 0 310.438 1.395 10 0 DDAERO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000245938100 408104919 /nfs/dbraw/zinc/10/49/19/408104919.db2.gz SUWQACBDFSAFIJ-PMPSAXMXSA-N 1 0 311.470 1.286 10 0 DDAERO COc1cc(CNC[C@H]2C[NH2+]C[C@H]2O)c(SC)cc1OC ZINC000263318492 408104923 /nfs/dbraw/zinc/10/49/23/408104923.db2.gz ZVJBZFQUTBVXJK-NWDGAFQWSA-N 1 0 312.435 1.096 10 0 DDAERO C[C@H]1C[N@H+](CCC(=O)c2ccccc2)C[C@@H]1N1CCOCC1 ZINC000182420991 408154057 /nfs/dbraw/zinc/15/40/57/408154057.db2.gz BZZZRZLCXZVKIO-RDJZCZTQSA-N 1 0 302.418 1.912 10 0 DDAERO Cc1nc2n(n1)CCC[C@H]2NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000175620370 408174576 /nfs/dbraw/zinc/17/45/76/408174576.db2.gz ALGPUCKNWOMEGF-CQSZACIVSA-N 1 0 320.441 1.593 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1cc(C)nn1C ZINC000246202606 408175905 /nfs/dbraw/zinc/17/59/05/408175905.db2.gz BFBSLAZNLRXXFE-KGLIPLIRSA-N 1 0 305.426 1.226 10 0 DDAERO CCO[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C12CCC2 ZINC000175652790 408177970 /nfs/dbraw/zinc/17/79/70/408177970.db2.gz KPPJRVSPCKHMGK-RBSFLKMASA-N 1 0 307.438 1.824 10 0 DDAERO CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CC(C)(C)O)CC1 ZINC000190515544 408266212 /nfs/dbraw/zinc/26/62/12/408266212.db2.gz NUVOCRRSAZBXDK-AWEZNQCLSA-N 1 0 314.470 1.885 10 0 DDAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCCO[C@@H]1CCOC1 ZINC000150789383 408202929 /nfs/dbraw/zinc/20/29/29/408202929.db2.gz ZNUSIOOSROGPCT-SJORKVTESA-N 1 0 320.433 1.471 10 0 DDAERO C[C@@H]1C[N@H+](Cc2nc3ccccc3o2)C[C@H]1N1CCOCC1 ZINC000246309447 408214986 /nfs/dbraw/zinc/21/49/86/408214986.db2.gz CJPACLRVIMAQRR-UKRRQHHQSA-N 1 0 301.390 1.980 10 0 DDAERO CC(=O)c1c(C)[nH]c(C(=O)CN2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000246376982 408236516 /nfs/dbraw/zinc/23/65/16/408236516.db2.gz OJEZAVNRVOLAKI-AWEZNQCLSA-N 1 0 303.406 1.797 10 0 DDAERO C[C@@H](NC(=O)c1ccco1)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000183084826 408322152 /nfs/dbraw/zinc/32/21/52/408322152.db2.gz DYDZPHKEVHZGJV-UONOGXRCSA-N 1 0 321.421 1.779 10 0 DDAERO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCCO2)c1 ZINC000183095225 408324146 /nfs/dbraw/zinc/32/41/46/408324146.db2.gz DIHJAOFDDUDQMV-SWLSCSKDSA-N 1 0 319.405 1.532 10 0 DDAERO CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@H](O)COC(C)(C)C)CC2 ZINC000158112471 408328355 /nfs/dbraw/zinc/32/83/55/408328355.db2.gz VIRDYPHZYNHSEC-RRFJBIMHSA-N 1 0 315.454 1.414 10 0 DDAERO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)NC(C1CC1)C1CC1 ZINC000246738837 408330891 /nfs/dbraw/zinc/33/08/91/408330891.db2.gz GPDDPEYTIDATAW-QAPCUYQASA-N 1 0 306.450 1.918 10 0 DDAERO CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000246519111 408280343 /nfs/dbraw/zinc/28/03/43/408280343.db2.gz RCCGNLPKSQTVMA-RHSMWYFYSA-N 1 0 317.433 1.199 10 0 DDAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000246576392 408295056 /nfs/dbraw/zinc/29/50/56/408295056.db2.gz HGIRMQAVCQUGRB-HZPDHXFCSA-N 1 0 320.437 1.293 10 0 DDAERO [NH3+]Cc1cn(CCOc2cc(F)cc(Br)c2)nn1 ZINC000157405265 408300629 /nfs/dbraw/zinc/30/06/29/408300629.db2.gz QHDGFEUHBCKFFT-UHFFFAOYSA-N 1 0 315.146 1.717 10 0 DDAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NCC2CC2)C1 ZINC000190689411 408302763 /nfs/dbraw/zinc/30/27/63/408302763.db2.gz MATIZSBQLJINSO-INIZCTEOSA-N 1 0 302.422 1.955 10 0 DDAERO Cc1ccc(CCC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc1 ZINC000246617213 408303219 /nfs/dbraw/zinc/30/32/19/408303219.db2.gz CTRYWVZKZRYWSG-HOTGVXAUSA-N 1 0 304.434 1.841 10 0 DDAERO CC(C)CS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000246766131 408335295 /nfs/dbraw/zinc/33/52/95/408335295.db2.gz BZXNSHPUHQTXJE-UONOGXRCSA-N 1 0 318.483 1.292 10 0 DDAERO COc1cc(CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)ccn1 ZINC000246818805 408347014 /nfs/dbraw/zinc/34/70/14/408347014.db2.gz DLBMGTJNTJRRKO-GXTWGEPZSA-N 1 0 306.410 1.618 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1cnn(C)c1C ZINC000136939866 162123145 /nfs/dbraw/zinc/12/31/45/162123145.db2.gz GUPQGJLGTSYGSI-HZPDHXFCSA-N 1 0 304.438 1.746 10 0 DDAERO CC[N@H+](CCNC(=O)N1CCC(c2cc[nH]n2)CC1)C1CC1 ZINC000158543573 408344915 /nfs/dbraw/zinc/34/49/15/408344915.db2.gz CVCRYZUDZSBHGF-UHFFFAOYSA-N 1 0 305.426 1.783 10 0 DDAERO CC(C)COC[C@H](O)CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000176354860 408346528 /nfs/dbraw/zinc/34/65/28/408346528.db2.gz WVBKSZJQARKFRW-IAGOWNOFSA-N 1 0 322.449 1.309 10 0 DDAERO CO[C@@H]1CCN(CC(=O)Nc2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000167329581 162174125 /nfs/dbraw/zinc/17/41/25/162174125.db2.gz UAZJMAMHUONTKK-UONOGXRCSA-N 1 0 311.813 1.717 10 0 DDAERO C[C@@H](CC(=O)N1CCO[C@H](Cn2cccn2)C1)C1CC[NH2+]CC1 ZINC000168233187 162178668 /nfs/dbraw/zinc/17/86/68/162178668.db2.gz BRZLYDPJWMCUCA-HOCLYGCPSA-N 1 0 320.437 1.136 10 0 DDAERO C[C@@H](C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246893932 408361814 /nfs/dbraw/zinc/36/18/14/408361814.db2.gz HIHHJGYIIHWMDK-NRKLIOEPSA-N 1 0 323.481 1.427 10 0 DDAERO CC(C)CC(=O)N[C@@H](C(=O)N1CC[C@H]([NH+]2CCCC2)C1)C(C)C ZINC000171439830 162217740 /nfs/dbraw/zinc/21/77/40/162217740.db2.gz CQVCMOVPHIPENU-DOTOQJQBSA-N 1 0 323.481 1.870 10 0 DDAERO CCCCCNC(=O)CN1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000171504178 162222423 /nfs/dbraw/zinc/22/24/23/162222423.db2.gz ATNQCNQANRWTQP-AWEZNQCLSA-N 1 0 308.426 1.939 10 0 DDAERO 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NPOAVCYEURSXSC-HIFRSBDPSA-N 1 0 318.421 1.214 10 0 DDAERO O=C(C[C@@H]1CC[NH2+]C1)NCc1ccc(CN2CCOCC2)cc1 ZINC000261708613 163689315 /nfs/dbraw/zinc/68/93/15/163689315.db2.gz KULWZROSXCMUCH-KRWDZBQOSA-N 1 0 317.433 1.135 10 0 DDAERO Cc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1Br ZINC000262127699 163772692 /nfs/dbraw/zinc/77/26/92/163772692.db2.gz GGBIJNVXPBNQAJ-ZYHUDNBSSA-N 1 0 313.195 1.068 10 0 DDAERO [NH3+]CC1(C(=O)N2CCC[C@H](c3nccs3)C2)CCOCC1 ZINC000262271042 163796852 /nfs/dbraw/zinc/79/68/52/163796852.db2.gz MZNPUHUNXZGSQS-LBPRGKRZSA-N 1 0 309.435 1.605 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1SC(F)F ZINC000262394168 163822672 /nfs/dbraw/zinc/82/26/72/163822672.db2.gz YBNJBVSAXVKJOT-WPRPVWTQSA-N 1 0 302.346 1.311 10 0 DDAERO O=C(CC[C@@H]1CCC[NH2+]1)Nc1ccc(N2CCNC2=O)cc1 ZINC000262568667 163851379 /nfs/dbraw/zinc/85/13/79/163851379.db2.gz XDCVNQXWXBULNA-LBPRGKRZSA-N 1 0 302.378 1.687 10 0 DDAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000262655580 163861354 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C[NH+](C)[C@H]1CCN(C(=O)c2csc(Br)n2)C1 ZINC000709582666 699252454 /nfs/dbraw/zinc/25/24/54/699252454.db2.gz HQILYULSIFKJQX-ZETCQYMHSA-N 1 0 304.213 1.682 10 0 DDAERO COc1ncc(Cl)c(N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)n1 ZINC000709825019 699252662 /nfs/dbraw/zinc/25/26/62/699252662.db2.gz WPRQPJUYKQCSPJ-RNFRBKRXSA-N 1 0 310.707 1.712 10 0 DDAERO [NH3+]C[C@H]1C[C@H](C(=O)Nc2ccc(Br)cc2F)CO1 ZINC000713824184 699267432 /nfs/dbraw/zinc/26/74/32/699267432.db2.gz XIQBQDBLBHUUAA-IONNQARKSA-N 1 0 317.158 1.891 10 0 DDAERO FC1(F)CC[NH2+]C[C@H]1CNc1ncncc1Br ZINC000717049488 699285938 /nfs/dbraw/zinc/28/59/38/699285938.db2.gz POAXWDYRWHXXLZ-ZETCQYMHSA-N 1 0 307.142 1.896 10 0 DDAERO C[C@H]1CC[C@H]([NH2+]C2CC(C(N)=O)C2)CN1C(=O)OC(C)(C)C ZINC000716704838 699284170 /nfs/dbraw/zinc/28/41/70/699284170.db2.gz GOVXZLNVDKAKMT-QCXCNERSSA-N 1 0 311.426 1.628 10 0 DDAERO C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C1CC(C(N)=O)C1 ZINC000716699451 699284190 /nfs/dbraw/zinc/28/41/90/699284190.db2.gz SJSHZIKBZCXVAX-PNESKVBLSA-N 1 0 313.442 1.923 10 0 DDAERO C[C@@H](NCc1cn(C)nc1Br)[C@@H]1CCC[NH2+]C1 ZINC000720665959 699307652 /nfs/dbraw/zinc/30/76/52/699307652.db2.gz OGCAEPYZQLMKPI-NXEZZACHSA-N 1 0 301.232 1.660 10 0 DDAERO C[NH+](C)[C@@H]1CN(Cc2ccc3c[nH]nc3c2)C[C@@H]1n1ccnn1 ZINC000859759289 704997580 /nfs/dbraw/zinc/99/75/80/704997580.db2.gz PSULQCFBBNOUEA-CVEARBPZSA-N 1 0 311.393 1.142 10 0 DDAERO CC(=O)N1C[C@@H]([NH2+]Cc2cncn2C)CC[C@@H]1C(F)(F)F ZINC000886031105 708684972 /nfs/dbraw/zinc/68/49/72/708684972.db2.gz NSINVOOQFZRADO-CMPLNLGQSA-N 1 0 304.316 1.452 10 0 DDAERO Cc1c[nH]cc1C(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000888094579 709211336 /nfs/dbraw/zinc/21/13/36/709211336.db2.gz CIFCEIDSQVYUGX-ANQUJSFKSA-N 1 0 305.422 1.533 10 0 DDAERO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000912805725 713097629 /nfs/dbraw/zinc/09/76/29/713097629.db2.gz AQSWHKYYKGMMLB-IOASZLSFSA-N 1 0 319.453 1.488 10 0 DDAERO Cc1cnc(CN(C)[C@@H]2CC[N@H+](Cc3c(C)ccnc3N)C2)o1 ZINC000893870132 710865306 /nfs/dbraw/zinc/86/53/06/710865306.db2.gz SVEKWMRYRPALQL-CQSZACIVSA-N 1 0 315.421 1.975 10 0 DDAERO CCc1nc(CCNC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)no1 ZINC000896189757 711688255 /nfs/dbraw/zinc/68/82/55/711688255.db2.gz OSWYLGUQINAWST-LBPRGKRZSA-N 1 0 318.381 1.094 10 0 DDAERO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)C1 ZINC000907563817 712595859 /nfs/dbraw/zinc/59/58/59/712595859.db2.gz ITUCNTANLAYJPN-CABCVRRESA-N 1 0 319.453 1.347 10 0 DDAERO C/C=C\[C@@H](O)C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000907571181 712596980 /nfs/dbraw/zinc/59/69/80/712596980.db2.gz REOILIYMDMOQCW-YODRKPAKSA-N 1 0 312.410 1.714 10 0 DDAERO CC[C@@H]1CN([C@H](C)c2nc(COC)no2)CC[N@@H+]1CCOC ZINC000248456052 282085211 /nfs/dbraw/zinc/08/52/11/282085211.db2.gz LHPSLGSDFLMKCM-CHWSQXEVSA-N 1 0 312.414 1.320 10 0 DDAERO CC[C@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)CN1CCCC1=O ZINC000248643976 282095579 /nfs/dbraw/zinc/09/55/79/282095579.db2.gz ZUVPXUDNJHVINY-IRXDYDNUSA-N 1 0 302.418 1.807 10 0 DDAERO CC[NH2+][C@H]1CCC2(C[C@@H]1SCC(=O)OCC)OCCO2 ZINC000081794811 192324706 /nfs/dbraw/zinc/32/47/06/192324706.db2.gz BAMFAMVLSKPUTA-RYUDHWBXSA-N 1 0 303.424 1.556 10 0 DDAERO CCC[NH2+][C@H]1CCC2(C[C@@H]1Sc1nncn1C)OCCO2 ZINC000081867037 192332678 /nfs/dbraw/zinc/33/26/78/192332678.db2.gz VTMPXRXJFBPALB-RYUDHWBXSA-N 1 0 312.439 1.571 10 0 DDAERO CC[NH2+][C@@H]1CCC2(C[C@@H]1Sc1nncs1)OCCO2 ZINC000081869344 192332755 /nfs/dbraw/zinc/33/27/55/192332755.db2.gz KIRUNRQALLDMKI-ZJUUUORDSA-N 1 0 301.437 1.904 10 0 DDAERO CC[NH2+][C@H]1c2ccccc2C[C@H]1Sc1n[nH]c(=O)n1CC ZINC000081879742 192334305 /nfs/dbraw/zinc/33/43/05/192334305.db2.gz GKWIKDFDPFYVFK-OLZOCXBDSA-N 1 0 304.419 1.959 10 0 DDAERO C[NH2+][C@H](C)c1cccc(NC(=O)N[C@@H](C)CS(C)(=O)=O)c1 ZINC000081905945 192338209 /nfs/dbraw/zinc/33/82/09/192338209.db2.gz INCIHSHXBGJRKK-WDEREUQCSA-N 1 0 313.423 1.522 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccnn2C(C)(C)C)CCO1 ZINC000190420775 282125140 /nfs/dbraw/zinc/12/51/40/282125140.db2.gz OVBJLAHUVMMWSU-GFCCVEGCSA-N 1 0 309.414 1.432 10 0 DDAERO C[NH2+][C@@H]1CCC[C@@H]1S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000081936120 192342093 /nfs/dbraw/zinc/34/20/93/192342093.db2.gz FTPGINPKPFQFMB-DOMZBBRYSA-N 1 0 311.403 1.762 10 0 DDAERO CC[NH2+][C@@H](C)c1ccc(OC)c(CS(=O)(=O)CCOC)c1 ZINC000081944125 192344203 /nfs/dbraw/zinc/34/42/03/192344203.db2.gz FJYFIVKRBYPEKQ-LBPRGKRZSA-N 1 0 315.435 1.927 10 0 DDAERO CCO[C@@H]1C[C@](CO)([NH2+]C[C@@H](O)COC(C)(C)C)C1(C)C ZINC000249400564 282149934 /nfs/dbraw/zinc/14/99/34/282149934.db2.gz SMPWDIUICAHZEB-XJKCOSOUSA-N 1 0 303.443 1.318 10 0 DDAERO CCC[C@H](CC[NH3+])CCC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000079238169 185162293 /nfs/dbraw/zinc/16/22/93/185162293.db2.gz KPMHSYVHCNQUMG-UONOGXRCSA-N 1 0 318.483 1.567 10 0 DDAERO CS(=O)(=O)C[C@H](O)[C@H](C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000087373774 185222817 /nfs/dbraw/zinc/22/28/17/185222817.db2.gz KOGBRNVEUBYWGV-MNOVXSKESA-N 1 0 311.325 1.153 10 0 DDAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000087404023 185223808 /nfs/dbraw/zinc/22/38/08/185223808.db2.gz XAXOYYAGJLUJOC-NSHDSACASA-N 1 0 310.375 1.199 10 0 DDAERO COc1cc(C)c(S(=O)(=O)N[C@@H](C[NH3+])C(C)C)cc1OC ZINC000087404558 185223880 /nfs/dbraw/zinc/22/38/80/185223880.db2.gz LFANSFXKTHQYCA-NSHDSACASA-N 1 0 316.423 1.274 10 0 DDAERO CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000087517897 185227367 /nfs/dbraw/zinc/22/73/67/185227367.db2.gz NWXRMFXGVVIOGI-CYBMUJFWSA-N 1 0 313.423 1.106 10 0 DDAERO C[NH2+]C1(CC(=O)N(CCCOC)CCOC)CCCCC1 ZINC000087577292 185228998 /nfs/dbraw/zinc/22/89/98/185228998.db2.gz IPFJABIECMILNT-UHFFFAOYSA-N 1 0 300.443 1.810 10 0 DDAERO COC(=O)CCN(CC(F)(F)F)C(=O)C(C)(C)C(C)(C)[NH3+] ZINC000087628102 185229484 /nfs/dbraw/zinc/22/94/84/185229484.db2.gz VKWUOJWLQGVCSR-UHFFFAOYSA-N 1 0 312.332 1.704 10 0 DDAERO CCC(C)(C)[C@H]1CC[C@H]([NH3+])[C@H](S(=O)(=O)CCC(=O)OC)C1 ZINC000081975322 192347571 /nfs/dbraw/zinc/34/75/71/192347571.db2.gz YEJKRQFESHSPHQ-RWMBFGLXSA-N 1 0 319.467 1.897 10 0 DDAERO CO[C@@H]1CCC[C@H](Oc2nc(NN)[nH+]cc2Br)C1 ZINC000087890039 185234810 /nfs/dbraw/zinc/23/48/10/185234810.db2.gz NPGFRTVDHVZYHK-SFYZADRCSA-N 1 0 317.187 1.861 10 0 DDAERO COc1ccc(CCN2CC[NH+]([C@@H](C)C(N)=S)CC2)cc1 ZINC000088102411 185239552 /nfs/dbraw/zinc/23/95/52/185239552.db2.gz NWBJPCOYDTVTNN-ZDUSSCGKSA-N 1 0 307.463 1.530 10 0 DDAERO COCCN(c1nc(NN)[nH+]cc1Br)C1CC1 ZINC000087864818 185233800 /nfs/dbraw/zinc/23/38/00/185233800.db2.gz LAQYKEBEJCWTRK-UHFFFAOYSA-N 1 0 302.176 1.140 10 0 DDAERO C[C@@H](OCC1CC1)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000176458329 539229526 /nfs/dbraw/zinc/22/95/26/539229526.db2.gz DKRPVSNOCYFYPH-UONOGXRCSA-N 1 0 312.454 1.353 10 0 DDAERO C[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2)CS(C)(=O)=O ZINC000181747867 539238518 /nfs/dbraw/zinc/23/85/18/539238518.db2.gz LRVVUJVVNIUIDJ-RYUDHWBXSA-N 1 0 313.419 1.789 10 0 DDAERO O=S(=O)(Cc1sccc1Br)CC1C[NH2+]C1 ZINC000088091132 185239626 /nfs/dbraw/zinc/23/96/26/185239626.db2.gz YMGDBWMLVQZEFV-UHFFFAOYSA-N 1 0 310.238 1.645 10 0 DDAERO [NH3+]C1(C(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)CC1 ZINC000088130104 185240448 /nfs/dbraw/zinc/24/04/48/185240448.db2.gz BIGKJXFLEHRUGG-UHFFFAOYSA-N 1 0 311.139 1.049 10 0 DDAERO O=S(=O)(N1CCC[NH2+]CC1)N1CCCCc2ccccc21 ZINC000088333994 185246251 /nfs/dbraw/zinc/24/62/51/185246251.db2.gz PTWKOEQXMKRMBV-UHFFFAOYSA-N 1 0 309.435 1.369 10 0 DDAERO COC(=O)CCS(=O)(=O)C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000081974445 192348303 /nfs/dbraw/zinc/34/83/03/192348303.db2.gz LFJARPSEQDBNPA-AWEZNQCLSA-N 1 0 313.419 1.788 10 0 DDAERO CNC(=O)[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)C(C)C ZINC000183651067 539242549 /nfs/dbraw/zinc/24/25/49/539242549.db2.gz NZLDQOCUXFIXQT-CQSZACIVSA-N 1 0 312.435 1.211 10 0 DDAERO CC[C@H](C[NH3+])S(=O)(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000088472161 185252235 /nfs/dbraw/zinc/25/22/35/185252235.db2.gz VQSKSHVRYNZPTA-MRVPVSSYSA-N 1 0 308.306 1.487 10 0 DDAERO CCOc1ccccc1OCC[C@H]([NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000088415718 185249115 /nfs/dbraw/zinc/24/91/15/185249115.db2.gz BUNPNDUXCJBIBB-OLZOCXBDSA-N 1 0 313.419 1.616 10 0 DDAERO O=S(=O)(C[C@H]1CCC[NH2+]1)N1CCC(C(F)(F)F)CC1 ZINC000088433062 185249601 /nfs/dbraw/zinc/24/96/01/185249601.db2.gz GWCCTLLZDFBNNM-SNVBAGLBSA-N 1 0 300.346 1.343 10 0 DDAERO CN[C@](C[N@@H+]1CCC[C@H](C(F)(F)F)C1)(C(=O)OC)C1CC1 ZINC000088435136 185250070 /nfs/dbraw/zinc/25/00/70/185250070.db2.gz XMQKYSHYDHPUHY-AAEUAGOBSA-N 1 0 308.344 1.802 10 0 DDAERO C[C@@](CC[NH+]1CCC(C(F)(F)F)CC1)(NC1CC1)C(N)=O ZINC000088435436 185250409 /nfs/dbraw/zinc/25/04/09/185250409.db2.gz CHMGDNWELNGHHY-ZDUSSCGKSA-N 1 0 307.360 1.647 10 0 DDAERO O=S(=O)(Nc1ncccc1Br)[C@H]1CCC[NH2+]C1 ZINC000088447279 185251177 /nfs/dbraw/zinc/25/11/77/185251177.db2.gz HABPLPJTPJJYGD-QMMMGPOBSA-N 1 0 320.212 1.338 10 0 DDAERO CSC[C@H](C)C[NH2+]Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000088540805 185255855 /nfs/dbraw/zinc/25/58/55/185255855.db2.gz HLFUGNDMPZPWGA-SNVBAGLBSA-N 1 0 306.453 1.619 10 0 DDAERO C[NH2+][C@H](Cc1ncnn1C)Cc1ccccc1Br ZINC000088582093 185258599 /nfs/dbraw/zinc/25/85/99/185258599.db2.gz ZHYUQWIXZMXEHF-NSHDSACASA-N 1 0 309.211 1.951 10 0 DDAERO C[C@@H](C[NH+]1CCCC1)NC(=O)c1sc2nccnc2c1N ZINC000088641861 185260984 /nfs/dbraw/zinc/26/09/84/185260984.db2.gz CRWXGXYDXDOWBF-VIFPVBQESA-N 1 0 305.407 1.488 10 0 DDAERO CCOC(=O)[C@@H]1C[NH2+]CCN1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000088658200 185261663 /nfs/dbraw/zinc/26/16/63/185261663.db2.gz ZTRJCCATOQBEFN-TUAOUCFPSA-N 1 0 308.344 1.944 10 0 DDAERO C[C@H](c1ccccc1Br)N1CC[NH2+]C[C@@H]1C(N)=O ZINC000088659228 185261777 /nfs/dbraw/zinc/26/17/77/185261777.db2.gz SMGBSEGDQRZTES-BXKDBHETSA-N 1 0 312.211 1.269 10 0 DDAERO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@H]2CCCO2)cc1 ZINC000248561635 539272082 /nfs/dbraw/zinc/27/20/82/539272082.db2.gz CRNQOZDYNARXOA-XGWLTEMNSA-N 1 0 322.405 1.542 10 0 DDAERO Cc1ccc([C@H](C)NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)o1 ZINC000245920441 539268857 /nfs/dbraw/zinc/26/88/57/539268857.db2.gz XOWDGKOAJJFOKS-OBJOEFQTSA-N 1 0 309.410 1.746 10 0 DDAERO O[C@@H](COCc1ccco1)C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000246681994 539270576 /nfs/dbraw/zinc/27/05/76/539270576.db2.gz MMZUFDDZBASFSG-ZBFHGGJFSA-N 1 0 318.373 1.705 10 0 DDAERO C[NH2+][C@H](CS(=O)(=O)C1CCOCC1)c1cccc(OC)c1 ZINC000081990222 192350392 /nfs/dbraw/zinc/35/03/92/192350392.db2.gz HANSJTKGVMEOHP-OAHLLOKOSA-N 1 0 313.419 1.550 10 0 DDAERO CCCN(CC[NH+](C)C)S(=O)(=O)c1ccsc1CO ZINC000088895159 185270123 /nfs/dbraw/zinc/27/01/23/185270123.db2.gz PHSCSGXLVQUDHW-UHFFFAOYSA-N 1 0 306.453 1.203 10 0 DDAERO C[NH2+][C@H](C[S@@](=O)CCS(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000081993112 192351834 /nfs/dbraw/zinc/35/18/34/192351834.db2.gz LMCJSNOBJMWYDF-AUUYWEPGSA-N 1 0 317.476 1.357 10 0 DDAERO CCC[C@@H](C(N)=S)[NH+]1CCN(C(=O)c2cc(C)on2)CC1 ZINC000090253795 185288052 /nfs/dbraw/zinc/28/80/52/185288052.db2.gz WREGNSBOBJMVTO-LBPRGKRZSA-N 1 0 310.423 1.196 10 0 DDAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000090312889 185290732 /nfs/dbraw/zinc/29/07/32/185290732.db2.gz OMBPRMCGUGEMQU-UMNHJUIQSA-N 1 0 322.789 1.262 10 0 DDAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1C ZINC000090312709 185290752 /nfs/dbraw/zinc/29/07/52/185290752.db2.gz WVFFIHJPDTVDQI-LOWVWBTDSA-N 1 0 318.826 1.431 10 0 DDAERO O=S(=O)(c1ccc2ccccc2c1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090321901 185291018 /nfs/dbraw/zinc/29/10/18/185291018.db2.gz QWYYPRPIIMHSKU-GJZGRUSLSA-N 1 0 302.399 1.680 10 0 DDAERO CCc1ccc([C@H]([NH3+])C[S@@](=O)CCS(C)(=O)=O)cc1 ZINC000081992624 192352641 /nfs/dbraw/zinc/35/26/41/192352641.db2.gz NKFRTCJZKMMBHJ-FZKQIMNGSA-N 1 0 303.449 1.042 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)CCc1ccccc1 ZINC000090336973 185291854 /nfs/dbraw/zinc/29/18/54/185291854.db2.gz KETWKPAGUDSIEM-HUUCEWRRSA-N 1 0 308.447 1.489 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ncccc1Br ZINC000090438449 185296596 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314.451 1.602 10 0 DDAERO CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000262608309 282291206 /nfs/dbraw/zinc/29/12/06/282291206.db2.gz HJLKIWWYAFUEEP-YJNKXOJESA-N 1 0 309.454 1.657 10 0 DDAERO COC(=O)c1sccc1NC(=O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183191027 199551942 /nfs/dbraw/zinc/55/19/42/199551942.db2.gz ZFIRKWSVGXVUFX-MWLCHTKSSA-N 1 0 312.391 1.630 10 0 DDAERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3ncnn3C2)C1 ZINC000156661069 290716872 /nfs/dbraw/zinc/71/68/72/290716872.db2.gz USUGJLHPYATBSZ-QWHCGFSZSA-N 1 0 321.425 1.582 10 0 DDAERO CNS(=O)(=O)c1ccccc1N1CCCC[C@H]1[C@@H](C)[NH2+]C ZINC000111718003 185630252 /nfs/dbraw/zinc/63/02/52/185630252.db2.gz FBRQFSQBARWSBE-OLZOCXBDSA-N 1 0 311.451 1.562 10 0 DDAERO CCC[NH2+][C@H](C)[C@H]1CCCCN1S(=O)(=O)c1cn(C)cn1 ZINC000111715739 185630500 /nfs/dbraw/zinc/63/05/00/185630500.db2.gz RDZBWTZZOPHHER-CHWSQXEVSA-N 1 0 314.455 1.351 10 0 DDAERO CC[C@@H]1C[C@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)CCO1 ZINC000070360212 190882993 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CCCC(=O)N[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000236724337 201981834 /nfs/dbraw/zinc/98/18/34/201981834.db2.gz NTLSBQYWEWOGAF-HZPDHXFCSA-N 1 0 317.433 1.984 10 0 DDAERO CCCCN(C(=O)CC1([NH3+])CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000084170264 192408899 /nfs/dbraw/zinc/40/88/99/192408899.db2.gz FEOUKUZWFWKVOK-CYBMUJFWSA-N 1 0 316.467 1.464 10 0 DDAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)C1 ZINC000170873727 197843209 /nfs/dbraw/zinc/84/32/09/197843209.db2.gz AUBBFRQXWQTVON-OAHLLOKOSA-N 1 0 308.447 1.890 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(Cl)cn1 ZINC000172080973 198036699 /nfs/dbraw/zinc/03/66/99/198036699.db2.gz VTDVBAVDEXKBBW-DGCLKSJQSA-N 1 0 308.813 1.842 10 0 DDAERO Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000028659396 352231559 /nfs/dbraw/zinc/23/15/59/352231559.db2.gz LOXQFNPBNCZISQ-HUUCEWRRSA-N 1 0 306.406 1.287 10 0 DDAERO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+]3CCC[C@@](O)(CO)C3)cc2c1 ZINC000072458748 191172208 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CC[NH+]1CCC(Cn2nc(CC(N)=O)c3ccccc32)CC1 ZINC000117736243 353996118 /nfs/dbraw/zinc/99/61/18/353996118.db2.gz INMDPGLQXHSFCP-UHFFFAOYSA-N 1 0 300.406 1.796 10 0 DDAERO [NH3+]C[C@@H](CO)c1ncc(Br)cc1Br ZINC000127666287 354066744 /nfs/dbraw/zinc/06/67/44/354066744.db2.gz CYGOGRYPCIOYKN-YFKPBYRVSA-N 1 0 309.989 1.641 10 0 DDAERO CCCNC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C(C)C)cc1 ZINC000169317319 354251199 /nfs/dbraw/zinc/25/11/99/354251199.db2.gz PDFJIOYMUYVQRK-AWEZNQCLSA-N 1 0 309.410 1.956 10 0 DDAERO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)COCc2ccccc2)C[C@H]1C ZINC000280834991 354425427 /nfs/dbraw/zinc/42/54/27/354425427.db2.gz WLBQVLYJIFXVMS-FVQBIDKESA-N 1 0 307.390 1.305 10 0 DDAERO CCCC[C@H](COC)[NH2+][C@@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000328650608 354559202 /nfs/dbraw/zinc/55/92/02/354559202.db2.gz VONBAPIMOJXGDN-ZIAGYGMSSA-N 1 0 308.426 1.946 10 0 DDAERO C[C@H]1CCCN(S(=O)(=O)N(C)c2cccc(C(N)=[NH2+])c2)C1 ZINC000079784082 191972262 /nfs/dbraw/zinc/97/22/62/191972262.db2.gz KNTWAKDDPADMJJ-NSHDSACASA-N 1 0 310.423 1.384 10 0 DDAERO COCC[NH2+]C[C@H]1CCCN(S(=O)(=O)CC(C)(C)C)C1 ZINC000080194025 192011050 /nfs/dbraw/zinc/01/10/50/192011050.db2.gz LXQZWBZHLUZCRA-CYBMUJFWSA-N 1 0 306.472 1.310 10 0 DDAERO Cc1csc([C@H](C)NS(=O)(=O)C[C@@H]2CCC[NH2+]C2)n1 ZINC000080315346 192023681 /nfs/dbraw/zinc/02/36/81/192023681.db2.gz LXAFHMYSCZASKT-WDEREUQCSA-N 1 0 303.453 1.432 10 0 DDAERO FC(F)(F)c1nnc2n1CCN(CC[C@@H]1CCCC[NH2+]1)C2 ZINC000081535837 192284561 /nfs/dbraw/zinc/28/45/61/192284561.db2.gz QIYHTGVHKSHXJO-JTQLQIEISA-N 1 0 303.332 1.645 10 0 DDAERO CCCc1nc(N2CCn3cnnc3C2)sc1C[NH2+]CC ZINC000081544174 192287585 /nfs/dbraw/zinc/28/75/85/192287585.db2.gz DNQSTCHDQLWLMW-UHFFFAOYSA-N 1 0 306.439 1.817 10 0 DDAERO C[C@H]1CC[NH2+][C@@H](c2ccccc2)CN1CCCS(C)(=O)=O ZINC000085621317 192519110 /nfs/dbraw/zinc/51/91/10/192519110.db2.gz WXAGJOTUSIODLG-GOEBONIOSA-N 1 0 310.463 1.846 10 0 DDAERO [NH3+][C@@]1(C(=O)Nc2ccc(F)cc2Br)CCOC1 ZINC000085868688 192536924 /nfs/dbraw/zinc/53/69/24/192536924.db2.gz PEUDUTVNAJFDSQ-NSHDSACASA-N 1 0 303.131 1.645 10 0 DDAERO CCCN(C(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(C[NH3+])cc1 ZINC000086018345 192544708 /nfs/dbraw/zinc/54/47/08/192544708.db2.gz BNRIEMDNXKUOCR-CYBMUJFWSA-N 1 0 310.419 1.323 10 0 DDAERO CC(C)(C)[C@@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)CC[NH2+]1 ZINC000086146598 192549353 /nfs/dbraw/zinc/54/93/53/192549353.db2.gz HQKDYQJHHVBVNW-HNNXBMFYSA-N 1 0 310.463 1.910 10 0 DDAERO C[NH+](C)CCN1CCN(c2nc3c(s2)CCC[C@@H]3O)CC1 ZINC000086444742 192571692 /nfs/dbraw/zinc/57/16/92/192571692.db2.gz UQOQSOFFNMZUSD-LBPRGKRZSA-N 1 0 310.467 1.196 10 0 DDAERO CCn1c2ccccc2n(CC(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1=O ZINC000237195414 202184337 /nfs/dbraw/zinc/18/43/37/202184337.db2.gz WSWTUQOTMKZKKY-OLZOCXBDSA-N 1 0 316.405 1.067 10 0 DDAERO CC[C@@H]1CN(CCCS(=O)(=O)CC)[C@H](C(C)(C)C)C[NH2+]1 ZINC000086982346 192606269 /nfs/dbraw/zinc/60/62/69/192606269.db2.gz PMKDEPVFKASXKV-KGLIPLIRSA-N 1 0 304.500 1.910 10 0 DDAERO CNC(=O)c1cccc(CCNC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 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CC[C@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccc(OC)cc1 ZINC000180862256 199220130 /nfs/dbraw/zinc/22/01/30/199220130.db2.gz SXLPMNBSZRPGCQ-IRXDYDNUSA-N 1 0 320.433 1.978 10 0 DDAERO CC(C)Oc1ncccc1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000181172253 199260379 /nfs/dbraw/zinc/26/03/79/199260379.db2.gz MVOXXUUYIGGFCJ-ZDUSSCGKSA-N 1 0 322.409 1.663 10 0 DDAERO CC[NH2+]Cc1cc(S(=O)(=O)N2CCCO[C@H](C)C2)cs1 ZINC000089027281 192706769 /nfs/dbraw/zinc/70/67/69/192706769.db2.gz FWCKMEGQRQVFKH-LLVKDONJSA-N 1 0 318.464 1.657 10 0 DDAERO COCCCN(C)S(=O)(=O)c1ccc(CCC[NH3+])cc1 ZINC000089027910 192709351 /nfs/dbraw/zinc/70/93/51/192709351.db2.gz SKMKNMUCTGOJMY-UHFFFAOYSA-N 1 0 300.424 1.235 10 0 DDAERO C[NH2+]C[C@H]1CCCN(S(=O)(=O)N(C)CC2CCCC2)C1 ZINC000089036903 192711774 /nfs/dbraw/zinc/71/17/74/192711774.db2.gz HPDIKIGUTITWNO-CQSZACIVSA-N 1 0 303.472 1.285 10 0 DDAERO CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089500566 192804374 /nfs/dbraw/zinc/80/43/74/192804374.db2.gz 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306.472 1.327 10 0 DDAERO CCOC(=O)[C@]1(NC)CCC[C@H]1CC[N@H+](C)[C@@H](C)COC ZINC000093590305 193271359 /nfs/dbraw/zinc/27/13/59/193271359.db2.gz XNVIJPTVRJKULB-DZKIICNBSA-N 1 0 300.443 1.665 10 0 DDAERO C[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCn1ccc(C(F)(F)F)n1 ZINC000093598782 193272413 /nfs/dbraw/zinc/27/24/13/193272413.db2.gz PIEXJOOMZDOBPT-SKDRFNHKSA-N 1 0 304.316 1.536 10 0 DDAERO CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCOCCOC(C)C ZINC000093620980 193275707 /nfs/dbraw/zinc/27/57/07/193275707.db2.gz YKBDHOUPWDXQMZ-HOCLYGCPSA-N 1 0 300.443 1.840 10 0 DDAERO CC[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@](C)(CC)CN ZINC000093695989 193292040 /nfs/dbraw/zinc/29/20/40/193292040.db2.gz PKXHSSMZGYMYPY-KBPBESRZSA-N 1 0 305.488 1.107 10 0 DDAERO C[N@@H+](Cc1cccc(N)c1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697685 193292635 /nfs/dbraw/zinc/29/26/35/193292635.db2.gz LMAKZJXYMWBQMX-AWEZNQCLSA-N 1 0 311.451 1.372 10 0 DDAERO CC[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccn1 ZINC000093699898 193293832 /nfs/dbraw/zinc/29/38/32/193293832.db2.gz IJZHVUDLVVDWOX-UKRRQHHQSA-N 1 0 311.451 1.794 10 0 DDAERO CCC[NH2+][C@@H](CCOC)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700101 193294378 /nfs/dbraw/zinc/29/43/78/193294378.db2.gz VWAHEKWWPSRDKM-KGLIPLIRSA-N 1 0 306.472 1.453 10 0 DDAERO CCC[NH2+][C@@H](CCCOC)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700413 193294390 /nfs/dbraw/zinc/29/43/90/193294390.db2.gz XXMZVUKPJXKDTB-GJZGRUSLSA-N 1 0 320.499 1.843 10 0 DDAERO CC(C)(C)[NH2+]C[C@@](C)(O)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702896 193295870 /nfs/dbraw/zinc/29/58/70/193295870.db2.gz RZTKXHYJASSRGD-OCCSQVGLSA-N 1 0 306.472 1.187 10 0 DDAERO COCCC[N@H+](C)[C@H]1CCC[C@@](NC(C)C)(C(=O)OC)C1 ZINC000093753872 193299768 /nfs/dbraw/zinc/29/97/68/193299768.db2.gz KIRTUMYJVWAPFT-HOCLYGCPSA-N 1 0 300.443 1.807 10 0 DDAERO CCCN[C@@]1(C(=O)OCC)CC[C@@H]([N@H+](C)CCCOC)C1 ZINC000093829631 193315018 /nfs/dbraw/zinc/31/50/18/193315018.db2.gz PVVBHUWTWKUBAF-ZBFHGGJFSA-N 1 0 300.443 1.809 10 0 DDAERO COC(=O)[C@@]1([NH3+])CC[C@H](Sc2nnc3n2CCCCC3)C1 ZINC000093850546 193317661 /nfs/dbraw/zinc/31/76/61/193317661.db2.gz MEQZVOPEJCJCTM-IINYFYTJSA-N 1 0 310.423 1.520 10 0 DDAERO C[NH2+][C@@]1(C(N)=O)CC[C@H](Sc2nc3cc(C)ccc3[nH]2)C1 ZINC000093852868 193318788 /nfs/dbraw/zinc/31/87/88/193318788.db2.gz NKQSGMOKVRSYAO-BONVTDFDSA-N 1 0 304.419 1.959 10 0 DDAERO NC(=O)[C@@]1([NH3+])CC[C@H](Sc2ccc(Br)cn2)C1 ZINC000093853934 193319372 /nfs/dbraw/zinc/31/93/72/193319372.db2.gz PEPHZTHBPFXJCL-GZMMTYOYSA-N 1 0 316.224 1.672 10 0 DDAERO CCN(CC(C)(C)C[NH3+])S(=O)(=O)c1c(F)cccc1F ZINC000093878112 193322471 /nfs/dbraw/zinc/32/24/71/193322471.db2.gz VAHKUTORVICQRD-UHFFFAOYSA-N 1 0 306.378 1.960 10 0 DDAERO CN(CC1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1F ZINC000094023770 193338985 /nfs/dbraw/zinc/33/89/85/193338985.db2.gz LOVRIJFVCCPZGD-UHFFFAOYSA-N 1 0 304.362 1.585 10 0 DDAERO CCc1nn(C)c(C[C@@H]([NH2+]C)[C@@H]2CN(C)CCN2C)c1Cl ZINC000093894500 193324957 /nfs/dbraw/zinc/32/49/57/193324957.db2.gz QRUWPVNJVQRONA-OCCSQVGLSA-N 1 0 313.877 1.012 10 0 DDAERO CC[NH2+][C@H](CN(C)CCS(C)(=O)=O)c1ccc(C)cc1C ZINC000094298064 193356700 /nfs/dbraw/zinc/35/67/00/193356700.db2.gz NTSBSKICCJGTBH-MRXNPFEDSA-N 1 0 312.479 1.930 10 0 DDAERO Cc1cc(NC(=O)CC2([NH3+])CCC2)ccc1NS(C)(=O)=O ZINC000094294075 193357177 /nfs/dbraw/zinc/35/71/77/193357177.db2.gz QNIPXAMWHWFCFM-UHFFFAOYSA-N 1 0 311.407 1.577 10 0 DDAERO CN(CCS(C)(=O)=O)[C@@H](C[NH3+])c1cccc2cccnc21 ZINC000094297902 193357200 /nfs/dbraw/zinc/35/72/00/193357200.db2.gz FRFYKBSDCXHFKS-AWEZNQCLSA-N 1 0 307.419 1.211 10 0 DDAERO C[NH2+][C@@H](CN(C)CCS(C)(=O)=O)c1cc(C)ccc1OC ZINC000094298390 193357380 /nfs/dbraw/zinc/35/73/80/193357380.db2.gz RLAFWTWQRLKYEY-AWEZNQCLSA-N 1 0 314.451 1.241 10 0 DDAERO CC[NH2+][C@H]1CCCc2sc(N(C)CCS(C)(=O)=O)nc21 ZINC000094301123 193358252 /nfs/dbraw/zinc/35/82/52/193358252.db2.gz BPZBQYQOYFZHKQ-JTQLQIEISA-N 1 0 317.480 1.611 10 0 DDAERO C[NH2+][C@@H]1CCCc2nc(N(C)CCS(C)(=O)=O)sc21 ZINC000094301108 193358586 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CC[C@@](C)([NH3+])C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000094236978 193353711 /nfs/dbraw/zinc/35/37/11/193353711.db2.gz HQBCOPHHWGZUPP-CQSZACIVSA-N 1 0 313.423 1.439 10 0 DDAERO CC(C)C[C@H](C[NH3+])C(=O)Nc1ccccc1SCC(N)=O ZINC000094697856 193391354 /nfs/dbraw/zinc/39/13/54/193391354.db2.gz AITTZPQWJGTZJE-LLVKDONJSA-N 1 0 309.435 1.824 10 0 DDAERO CC(C)C[C@@H](C[NH3+])C(=O)N(CC(=O)N(C)C)CC(F)(F)F ZINC000094698719 193391975 /nfs/dbraw/zinc/39/19/75/193391975.db2.gz SDEYNICYOHEZDT-JTQLQIEISA-N 1 0 311.348 1.087 10 0 DDAERO C[NH2+][C@@H](c1cscc1Br)[C@@H]1CN2CCN1CC2 ZINC000094509049 193375386 /nfs/dbraw/zinc/37/53/86/193375386.db2.gz NVUXZNKOJUFAKN-RYUDHWBXSA-N 1 0 316.268 1.771 10 0 DDAERO CN(Cc1c(F)cccc1Cl)C(=O)[C@H]1CC[C@@H](C[NH3+])O1 ZINC000094567679 193381064 /nfs/dbraw/zinc/38/10/64/193381064.db2.gz ZEWUUEZVIODUDL-TVQRCGJNSA-N 1 0 300.761 1.944 10 0 DDAERO Cc1cc(N(C)[C@H]2CCS(=O)(=O)C2)c([C@@H](C)[NH3+])cc1F ZINC000094765852 193396059 /nfs/dbraw/zinc/39/60/59/193396059.db2.gz 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SKTAHIAOLYLMID-UHFFFAOYSA-N 1 0 306.347 1.156 10 0 DDAERO C[C@H]1CN[C@@H](C(=O)Nc2cccc(OC(F)(F)F)c2)C[NH2+]1 ZINC000062814251 184254273 /nfs/dbraw/zinc/25/42/73/184254273.db2.gz HWTDLWSFKYEQLL-GZMMTYOYSA-N 1 0 303.284 1.474 10 0 DDAERO CC[C@]1(CNCc2ccc(S(C)(=O)=O)cc2)CCC[NH2+]C1 ZINC000062867758 184257176 /nfs/dbraw/zinc/25/71/76/184257176.db2.gz ITBFYKLPGRPNRQ-INIZCTEOSA-N 1 0 310.463 1.960 10 0 DDAERO CCC1(CC)CCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)CC1 ZINC000062958116 184262494 /nfs/dbraw/zinc/26/24/94/184262494.db2.gz LHLFPZKAEFFLRH-LBPRGKRZSA-N 1 0 304.456 1.177 10 0 DDAERO CN(C1CCCCC1)S(=O)(=O)N[C@H]1CCCCC[C@@H]1[NH3+] ZINC000063213449 184278466 /nfs/dbraw/zinc/27/84/66/184278466.db2.gz BTLVUMMKWLSDQS-KBPBESRZSA-N 1 0 303.472 1.745 10 0 DDAERO CS(=O)(=O)c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c(N)c1 ZINC000062975989 184264435 /nfs/dbraw/zinc/26/44/35/184264435.db2.gz BKSKXGORQMDGJC-LBPRGKRZSA-N 1 0 309.435 1.347 10 0 DDAERO C[NH+](C)CCN1CCN(c2nc3ccc(N)cc3s2)CC1 ZINC000063104658 184271092 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C[NH+](C)[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)C1 ZINC000121084665 195292143 /nfs/dbraw/zinc/29/21/43/195292143.db2.gz ZUPXABIXXDDIKI-LLVKDONJSA-N 1 0 303.337 1.443 10 0 DDAERO CCNC(=O)C(C)(C)C[NH2+][C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000186468974 285483607 /nfs/dbraw/zinc/48/36/07/285483607.db2.gz HBLITVQNPILAPU-ZIAGYGMSSA-N 1 0 312.454 1.713 10 0 DDAERO CCO[C@@H]1C[C@H]([N@H+](C)CCNS(=O)(=O)CC)C12CCCC2 ZINC000121116847 286332865 /nfs/dbraw/zinc/33/28/65/286332865.db2.gz CDCCCRKEPQBSPY-UONOGXRCSA-N 1 0 318.483 1.595 10 0 DDAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000114409817 407570004 /nfs/dbraw/zinc/57/00/04/407570004.db2.gz WZCWBVUZUJCIJV-RDJZCZTQSA-N 1 0 312.417 1.556 10 0 DDAERO NS(=O)(=O)CCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000076107364 406956122 /nfs/dbraw/zinc/95/61/22/406956122.db2.gz DRBGSNBMWFWGNI-HUUCEWRRSA-N 1 0 312.435 1.253 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC(=O)Nc1ccccc1 ZINC000080082944 407071651 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VCRYEMVCCHPSIZ-NWDGAFQWSA-N 1 0 308.813 1.842 10 0 DDAERO CSCc1noc(CCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000178545567 407486681 /nfs/dbraw/zinc/48/66/81/407486681.db2.gz DYSISNDBVQHCTP-NSHDSACASA-N 1 0 310.423 1.172 10 0 DDAERO Cc1ccc(F)c(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000113305576 407493013 /nfs/dbraw/zinc/49/30/13/407493013.db2.gz NVHQJASAMQESMX-QWHCGFSZSA-N 1 0 312.410 1.991 10 0 DDAERO CN(C)C(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000114562383 407591265 /nfs/dbraw/zinc/59/12/65/407591265.db2.gz YMUKUKDFJRCFGY-CVEARBPZSA-N 1 0 306.406 1.117 10 0 DDAERO COc1c(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c(C)nn1C ZINC000261682061 407579324 /nfs/dbraw/zinc/57/93/24/407579324.db2.gz HVBSAGINQGXAJI-JKSUJKDBSA-N 1 0 300.406 1.664 10 0 DDAERO CC[N@@H+](Cc1cnn(C)c1)C[C@@H](O)COCc1ccccc1 ZINC000114503728 407589018 /nfs/dbraw/zinc/58/90/18/407589018.db2.gz UYFURABITKMJSC-QGZVFWFLSA-N 1 0 303.406 1.820 10 0 DDAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3cncs3)C2=O)n(C)n1 ZINC000178628247 407517780 /nfs/dbraw/zinc/51/77/80/407517780.db2.gz SEPGAQSOVMHJJH-LBPRGKRZSA-N 1 0 305.407 1.470 10 0 DDAERO COc1ccc(C)cc1CCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170826854 407517956 /nfs/dbraw/zinc/51/79/56/407517956.db2.gz CGDFYSRWKNWZAG-HNNXBMFYSA-N 1 0 305.422 1.892 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccccc2N2CCOCC2)C1 ZINC000170864054 407537920 /nfs/dbraw/zinc/53/79/20/407537920.db2.gz HXVYDNGRVIQOBP-AWEZNQCLSA-N 1 0 303.406 1.299 10 0 DDAERO [NH3+]C1(C(=O)Nc2cnn(Cc3ccccc3)c2)CCOCC1 ZINC000261541730 407541154 /nfs/dbraw/zinc/54/11/54/407541154.db2.gz GDZOQSZPMAUTTQ-UHFFFAOYSA-N 1 0 300.362 1.378 10 0 DDAERO C[C@@H](NC(=O)[C@@H]([NH3+])C1CCOCC1)c1ccc2c(c1)CC(=O)N2 ZINC000261770038 407610882 /nfs/dbraw/zinc/61/08/82/407610882.db2.gz MEZMTUKMOPBWIQ-HWPZZCPQSA-N 1 0 317.389 1.112 10 0 DDAERO CSCCCCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000186245631 407620395 /nfs/dbraw/zinc/62/03/95/407620395.db2.gz LWUIHYRLSQOELH-CHWSQXEVSA-N 1 0 303.472 1.226 10 0 DDAERO 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CC(C)C(=O)Nc1cccc(NC(=O)C2([NH3+])CCOCC2)c1 ZINC000262341863 407805271 /nfs/dbraw/zinc/80/52/71/407805271.db2.gz UKRYMBPRNHVUCF-UHFFFAOYSA-N 1 0 305.378 1.728 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1ncccc1OCC1CCCCC1 ZINC000262352617 407809470 /nfs/dbraw/zinc/80/94/70/407809470.db2.gz UQUPEQRPENEIKM-ZDUSSCGKSA-N 1 0 307.394 1.953 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC000262379935 407815785 /nfs/dbraw/zinc/81/57/85/407815785.db2.gz XRGLMRIRBRUETF-YPMHNXCESA-N 1 0 311.357 1.329 10 0 DDAERO COc1ccccc1NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000262529723 407858907 /nfs/dbraw/zinc/85/89/07/407858907.db2.gz PKHCQDSMIRVPQT-CYBMUJFWSA-N 1 0 304.394 1.207 10 0 DDAERO [NH3+][C@@H]1CC[C@H]2CN(CC(=O)Nc3ccc4c(c3)OCO4)C[C@H]12 ZINC000262540388 407862385 /nfs/dbraw/zinc/86/23/85/407862385.db2.gz QZBRCGCOEVNVQY-WCFLWFBJSA-N 1 0 303.362 1.023 10 0 DDAERO C[C@H](CC(=O)N[C@H]1CCC[C@H]1C[NH3+])NC(=O)C1CCCCC1 ZINC000262569159 407868076 /nfs/dbraw/zinc/86/80/76/407868076.db2.gz 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/nfs/dbraw/zinc/33/09/74/408330974.db2.gz BIJVYOGZMTYEJD-XJKSGUPXSA-N 1 0 324.469 1.273 10 0 DDAERO COC(=O)c1oc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1C ZINC000246602232 408301232 /nfs/dbraw/zinc/30/12/32/408301232.db2.gz XNADPAAFNKPVAA-HIFRSBDPSA-N 1 0 322.405 1.527 10 0 DDAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000183128637 408333173 /nfs/dbraw/zinc/33/31/73/408333173.db2.gz KUZFVZUMNLJBRG-KRWDZBQOSA-N 1 0 315.417 1.248 10 0 DDAERO C[C@@H]([NH3+])CCNC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C ZINC000178681047 286912055 /nfs/dbraw/zinc/91/20/55/286912055.db2.gz HDLNAOABKMKISV-MNOVXSKESA-N 1 0 301.456 1.178 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CCCCOC ZINC000136124451 162116391 /nfs/dbraw/zinc/11/63/91/162116391.db2.gz UJBNVCCNDCBWID-ZIAGYGMSSA-N 1 0 304.456 1.301 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2ccccc2Cl)C[C@@H]1C ZINC000246834177 408351186 /nfs/dbraw/zinc/35/11/86/408351186.db2.gz UAELGPWWETVHBE-STQMWFEESA-N 1 0 310.825 1.796 10 0 DDAERO Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c(F)c1 ZINC000246810533 408343958 /nfs/dbraw/zinc/34/39/58/408343958.db2.gz CBUVSWWUHJSOFJ-CHWSQXEVSA-N 1 0 312.410 1.991 10 0 DDAERO CC(=O)NCc1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000246821538 408346784 /nfs/dbraw/zinc/34/67/84/408346784.db2.gz CLWUQWXWTMCOJD-DYVFJYSZSA-N 1 0 315.417 1.631 10 0 DDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCCc1nc2ccccc2n1C ZINC000169144084 162182706 /nfs/dbraw/zinc/18/27/06/162182706.db2.gz NPUXRQGEWJMOKL-MLGOLLRUSA-N 1 0 302.422 1.996 10 0 DDAERO CCN(CC)C(=O)CCCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000171566108 162225999 /nfs/dbraw/zinc/22/59/99/162225999.db2.gz FKBCIRUGPZDCSN-HNNXBMFYSA-N 1 0 309.454 1.722 10 0 DDAERO O=C(NCCC[NH+]1CCCCC1)N1CCC[C@@H](n2cncn2)C1 ZINC000173531236 162344562 /nfs/dbraw/zinc/34/45/62/162344562.db2.gz IUFKSUDHSICONG-OAHLLOKOSA-N 1 0 320.441 1.501 10 0 DDAERO O=S(=O)(/C=C/c1ccccc1)N1CC[C@H](N2CC=CC2)C1 ZINC000173533051 162347358 /nfs/dbraw/zinc/34/73/58/162347358.db2.gz CBERORJJFPHBEW-WQMJKPAKSA-N 1 0 304.415 1.933 10 0 DDAERO O[C@H](C[N@@H+]1CC[C@H](N2CCOCC2)C1)c1cccc(Cl)c1 ZINC000173903679 162375253 /nfs/dbraw/zinc/37/52/53/162375253.db2.gz UQIXGCYSCKSQOR-JKSUJKDBSA-N 1 0 310.825 1.780 10 0 DDAERO Cc1cc(C)cc(NC(=O)CN2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173990620 162385475 /nfs/dbraw/zinc/38/54/75/162385475.db2.gz XNYHIJAVGDXUQJ-QGZVFWFLSA-N 1 0 317.433 1.648 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCN1C(=O)c2ccccc2C1=O ZINC000246982698 408377783 /nfs/dbraw/zinc/37/77/83/408377783.db2.gz DZBUNHPOUCHCMH-KGLIPLIRSA-N 1 0 313.401 1.451 10 0 DDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2nnc3n2CCCC3)C1 ZINC000247342038 408454622 /nfs/dbraw/zinc/45/46/22/408454622.db2.gz NPDRPVJVIUQSFL-QWHCGFSZSA-N 1 0 320.441 1.142 10 0 DDAERO Cc1csc2nc(CN3C[C@H]4CCC[N@H+]4C[C@H]3C)cc(=O)n12 ZINC000247038420 408394131 /nfs/dbraw/zinc/39/41/31/408394131.db2.gz GOCYLXBMFFSBPW-BXUZGUMPSA-N 1 0 318.446 1.733 10 0 DDAERO O=C1CCCN1C[C@H](O)C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000247079952 408401982 /nfs/dbraw/zinc/40/19/82/408401982.db2.gz ZFQJJSHMAOTXDS-NVXWUHKLSA-N 1 0 320.408 1.673 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000247071867 408402083 /nfs/dbraw/zinc/40/20/83/408402083.db2.gz SFPBENLOQZAGFD-DIOULYMOSA-N 1 0 304.365 1.824 10 0 DDAERO CCCOCCOC(=O)c1ccnc(N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000176624840 408406066 /nfs/dbraw/zinc/40/60/66/408406066.db2.gz MDQUVKNYDUOOCW-OAHLLOKOSA-N 1 0 321.421 1.805 10 0 DDAERO CC[C@H]1CN([C@H](C)C(=O)NCCC(C)C)CC[N@@H+]1CCOC ZINC000247175667 408420200 /nfs/dbraw/zinc/42/02/00/408420200.db2.gz NEMIDDYSMVUDKM-CVEARBPZSA-N 1 0 313.486 1.580 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC(=O)OC(C)(C)C ZINC000247170159 408420308 /nfs/dbraw/zinc/42/03/08/408420308.db2.gz REFIKEGPEKNMLT-STQMWFEESA-N 1 0 311.426 1.596 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(-n2cccn2)ccn1 ZINC000247195374 408427189 /nfs/dbraw/zinc/42/71/89/408427189.db2.gz UEZTVOVJUKWPIP-ZFWWWQNUSA-N 1 0 311.389 1.576 10 0 DDAERO CC[C@@H]1CN(C[C@@H](O)COc2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000247224592 408432549 /nfs/dbraw/zinc/43/25/49/408432549.db2.gz QUKIKMAYUOJERN-BRWVUGGUSA-N 1 0 322.449 1.203 10 0 DDAERO CCN1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)CC1 ZINC000248003137 408525220 /nfs/dbraw/zinc/52/52/20/408525220.db2.gz KPHVFIVATCJMFP-JZXOWHBKSA-N 1 0 323.481 1.166 10 0 DDAERO CC[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247398210 408464311 /nfs/dbraw/zinc/46/43/11/408464311.db2.gz QWGFDIJJFXTNGD-RFGFWPKPSA-N 1 0 312.458 1.318 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(Cc2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000247440461 408469844 /nfs/dbraw/zinc/46/98/44/408469844.db2.gz ZVCVAMWEOJOCTE-KBPBESRZSA-N 1 0 306.406 1.345 10 0 DDAERO Cc1nn(C)c(C)c1CCC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247460484 408475202 /nfs/dbraw/zinc/47/52/02/408475202.db2.gz QUJYOTOOPOXENL-IUODEOHRSA-N 1 0 304.438 1.665 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC000248451363 408570013 /nfs/dbraw/zinc/57/00/13/408570013.db2.gz JSVZAULUCYVDKQ-WFASDCNBSA-N 1 0 313.401 1.419 10 0 DDAERO Cc1cccc(F)c1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000248469999 408574666 /nfs/dbraw/zinc/57/46/66/408574666.db2.gz HOHMOVCXLHVEHZ-OLZOCXBDSA-N 1 0 312.410 1.991 10 0 DDAERO CC(C)(C)OC(=O)N1CCC([NH2+][C@H]2CCc3ncnn3C2)CC1 ZINC000177311024 408577668 /nfs/dbraw/zinc/57/76/68/408577668.db2.gz RJMOLMSKIMIZLD-ZDUSSCGKSA-N 1 0 321.425 1.582 10 0 DDAERO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3cccc4cnccc43)C[C@H]12 ZINC000248560023 408587291 /nfs/dbraw/zinc/58/72/91/408587291.db2.gz ASEFDELHEKJZGY-AEGPPILISA-N 1 0 317.414 1.593 10 0 DDAERO O=C1[C@H](N2CC[C@@]3(O)CCCC[C@@H]3C2)CCN1CC(F)(F)F ZINC000248146864 408540704 /nfs/dbraw/zinc/54/07/04/408540704.db2.gz QHOWAJDFKSIFFP-BZPMIXESSA-N 1 0 320.355 1.777 10 0 DDAERO COCCOc1ccc(CC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000192109795 408544507 /nfs/dbraw/zinc/54/45/07/408544507.db2.gz TZHWXADUASIDCE-HNNXBMFYSA-N 1 0 306.406 1.417 10 0 DDAERO Cc1ccc([C@H](C)[NH2+]CCOc2ccc(S(N)(=O)=O)cc2)o1 ZINC000192533202 408605208 /nfs/dbraw/zinc/60/52/08/408605208.db2.gz HGZCGMCIWHYHSV-LBPRGKRZSA-N 1 0 324.402 1.965 10 0 DDAERO COc1cc(C[NH2+]C[C@H]2CCc3nccn3C2)cc2c1OCO2 ZINC000275636802 408628313 /nfs/dbraw/zinc/62/83/13/408628313.db2.gz SSIGILGOJCXTCV-GFCCVEGCSA-N 1 0 315.373 1.973 10 0 DDAERO Cc1cc2c(cc1C)[C@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)CO2 ZINC000184557172 408641698 /nfs/dbraw/zinc/64/16/98/408641698.db2.gz IZAAPDDJOHURMT-GDBMZVCRSA-N 1 0 318.417 1.568 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccn(C)c1=O ZINC000177551064 408655158 /nfs/dbraw/zinc/65/51/58/408655158.db2.gz MIEYMMBLSOXZDS-QWHCGFSZSA-N 1 0 304.394 1.476 10 0 DDAERO CCOCC[N@@H+]1CCN([C@@H](C)c2nnnn2C2CC2)C[C@H]1C ZINC000248893670 408655654 /nfs/dbraw/zinc/65/56/54/408655654.db2.gz SSNJLVBQASTNFH-OLZOCXBDSA-N 1 0 308.430 1.112 10 0 DDAERO Cc1ccc(N2CCC[N@@H+](CCN3CCO[C@@H](C)C3)CC2)nn1 ZINC000249269642 408708604 /nfs/dbraw/zinc/70/86/04/408708604.db2.gz IXUPOYLCVGVSIC-INIZCTEOSA-N 1 0 319.453 1.018 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(C)cc(C)n1 ZINC000193420798 408718090 /nfs/dbraw/zinc/71/80/90/408718090.db2.gz PVGVLPIRCYHWIS-AWEZNQCLSA-N 1 0 318.421 1.580 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000193536214 408725724 /nfs/dbraw/zinc/72/57/24/408725724.db2.gz DAJMYSJRGGTUSG-PWSUYJOCSA-N 1 0 324.812 1.518 10 0 DDAERO O=C(CC[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)N1CCOCC1 ZINC000249543703 408739544 /nfs/dbraw/zinc/73/95/44/408739544.db2.gz FRHAWZIQTYVDQR-GJZGRUSLSA-N 1 0 324.446 1.005 10 0 DDAERO CCC[C@@H](C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O)[NH+](C)C ZINC000185020224 408739831 /nfs/dbraw/zinc/73/98/31/408739831.db2.gz WUJFEJMADXUGBI-CABCVRRESA-N 1 0 318.421 1.424 10 0 DDAERO COCc1cccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000177681035 408682916 /nfs/dbraw/zinc/68/29/16/408682916.db2.gz IKGNHBMCRYKIHA-OAHLLOKOSA-N 1 0 317.389 1.078 10 0 DDAERO CC(C)N1CCC[C@@H]([NH+]2CCC(Cn3cccn3)CC2)C1=O ZINC000177712356 408692969 /nfs/dbraw/zinc/69/29/69/408692969.db2.gz MBOMZAKHMIGECT-MRXNPFEDSA-N 1 0 304.438 1.995 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](NC(C)=O)c2ccccc2)C1 ZINC000249611596 408750492 /nfs/dbraw/zinc/75/04/92/408750492.db2.gz LSKPNONSLRVWHT-IAGOWNOFSA-N 1 0 317.433 1.854 10 0 DDAERO C[NH+](C)CCCC1CCN(C(=O)NCC(=O)NCC2CC2)CC1 ZINC000183796065 162867303 /nfs/dbraw/zinc/86/73/03/162867303.db2.gz WSVLKYNICBQUQD-UHFFFAOYSA-N 1 0 324.469 1.276 10 0 DDAERO CC(C)[C@@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000249825484 408766790 /nfs/dbraw/zinc/76/67/90/408766790.db2.gz KBHXKSICQHTYST-NCOADZHNSA-N 1 0 323.481 1.427 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000194147739 408768486 /nfs/dbraw/zinc/76/84/86/408768486.db2.gz RFQQNZMYOHDCTE-HNNXBMFYSA-N 1 0 317.389 1.428 10 0 DDAERO Cc1nnc(-c2ccccc2C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000178113293 408775502 /nfs/dbraw/zinc/77/55/02/408775502.db2.gz YLZUXZJGHRLZLU-CYBMUJFWSA-N 1 0 312.373 1.965 10 0 DDAERO OC[C@@H]1C[N@H+](C[C@@H](O)COCc2ccccc2)CCC1(F)F ZINC000291737221 408915305 /nfs/dbraw/zinc/91/53/05/408915305.db2.gz JUVXOOLHXKPCOV-LSDHHAIUSA-N 1 0 315.360 1.514 10 0 DDAERO CN(c1cccnn1)C1CC[NH+](CCOCC(F)F)CC1 ZINC000189138973 163086373 /nfs/dbraw/zinc/08/63/73/163086373.db2.gz YNYDARSIHXIJQO-UHFFFAOYSA-N 1 0 300.353 1.659 10 0 DDAERO O=S(=O)(NCC1=CC[NH2+]CC1)c1ccc(F)c(F)c1F ZINC000189298651 163094564 /nfs/dbraw/zinc/09/45/64/163094564.db2.gz OLYXQXNMGGLPDT-UHFFFAOYSA-N 1 0 306.309 1.302 10 0 DDAERO Cc1ccc(N2CCC[N@H+](CCO[C@@H]3CCCCO3)CC2)nn1 ZINC000193050141 163244728 /nfs/dbraw/zinc/24/47/28/163244728.db2.gz ZDPQNYUCTBTWJH-QGZVFWFLSA-N 1 0 320.437 1.840 10 0 DDAERO CCOC(=O)N[C@@H](C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)C(C)C ZINC000195071871 163305620 /nfs/dbraw/zinc/30/56/20/163305620.db2.gz JGHDRRKAONIMHA-ZIAGYGMSSA-N 1 0 311.426 1.454 10 0 DDAERO COC(=O)Nc1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000195328805 163316760 /nfs/dbraw/zinc/31/67/60/163316760.db2.gz UQWXJUIBEAQIRP-CQSZACIVSA-N 1 0 303.362 1.785 10 0 DDAERO Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000245921872 163445004 /nfs/dbraw/zinc/44/50/04/163445004.db2.gz WZZCYBBWDVTQLS-UPJWGTAASA-N 1 0 322.453 1.434 10 0 DDAERO CCCCCCNC(=O)C[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246411956 163485826 /nfs/dbraw/zinc/48/58/26/163485826.db2.gz KBLQUBGMYZIJNZ-HOTGVXAUSA-N 1 0 311.470 1.335 10 0 DDAERO CCOc1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@H]2CCCO2)cc1 ZINC000248598690 163601050 /nfs/dbraw/zinc/60/10/50/163601050.db2.gz NFHUHOWWXXKDHU-JJRVBVJISA-N 1 0 309.406 1.982 10 0 DDAERO Cc1nc(C(=O)N(C)C)ccc1C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261680135 163684397 /nfs/dbraw/zinc/68/43/97/163684397.db2.gz DFPGGPOLKQZMOQ-DGCLKSJQSA-N 1 0 318.421 1.291 10 0 DDAERO CCCC(=O)N1CCC[C@@H](C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)C1 ZINC000262108793 163768685 /nfs/dbraw/zinc/76/86/85/163768685.db2.gz VLUSCGVUWVJUNT-KGLIPLIRSA-N 1 0 309.454 1.611 10 0 DDAERO O=C(CCSc1ccc(Cl)cc1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262246684 163792381 /nfs/dbraw/zinc/79/23/81/163792381.db2.gz LGOYWEINFLRJTB-MFKMUULPSA-N 1 0 314.838 1.519 10 0 DDAERO CC(=O)c1cccc(NC(=O)CN2CC[C@@H](C)C[C@@H]2C[NH3+])c1 ZINC000262438872 163828933 /nfs/dbraw/zinc/82/89/33/163828933.db2.gz GOKQLLOMVRWOPB-MLGOLLRUSA-N 1 0 303.406 1.887 10 0 DDAERO Cc1cccc(S(=O)(=O)N(C)C[C@H]2CC[N@H+](C)C2)c1F ZINC000313220740 164010095 /nfs/dbraw/zinc/01/00/95/164010095.db2.gz RVQGKBSUUQOXBE-LBPRGKRZSA-N 1 0 300.399 1.706 10 0 DDAERO COC[C@H](C)C[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000187237270 306718867 /nfs/dbraw/zinc/71/88/67/306718867.db2.gz VTRIIYDIQNWQQZ-IAGOWNOFSA-N 1 0 322.449 1.326 10 0 DDAERO CC(C)c1nn(C)c(N2CCOCC2)c1C[NH2+]CCCCCO ZINC000192909182 306726297 /nfs/dbraw/zinc/72/62/97/306726297.db2.gz ZHUPTAVSBOYVFP-UHFFFAOYSA-N 1 0 324.469 1.632 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2nn(C)cc2Br)C1 ZINC000339987330 410598510 /nfs/dbraw/zinc/59/85/10/410598510.db2.gz FSWCVLKNQITIMR-SECBINFHSA-N 1 0 315.215 1.397 10 0 DDAERO O[C@H](CNc1cc[nH+]c2cc(F)ccc12)CN1CCOCC1 ZINC000301723589 410780615 /nfs/dbraw/zinc/78/06/15/410780615.db2.gz LAICBHSFUQHZDF-CYBMUJFWSA-N 1 0 305.353 1.479 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H](O)c2ccsc2)C1 ZINC000132345631 196248430 /nfs/dbraw/zinc/24/84/30/196248430.db2.gz MGTIXSJMROLIFK-XBFCOCLRSA-N 1 0 311.451 1.809 10 0 DDAERO C[NH+](C)C[C@@H]1CN(Cc2nccn2Cc2ccccc2)CCO1 ZINC000132295850 196242528 /nfs/dbraw/zinc/24/25/28/196242528.db2.gz DZOBRSGMZRURTB-QGZVFWFLSA-N 1 0 314.433 1.694 10 0 DDAERO O=S(=O)(NC[C@H]1CC[NH2+]C1)c1cccc(Cl)c1Cl ZINC000133749235 196334223 /nfs/dbraw/zinc/33/42/23/196334223.db2.gz KPXVXLIPXCMATA-QMMMGPOBSA-N 1 0 309.218 1.881 10 0 DDAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@H]1c1ccc(N)nc1 ZINC000616635912 417086588 /nfs/dbraw/zinc/08/65/88/417086588.db2.gz NEUALUDXALIURZ-ZDUSSCGKSA-N 1 0 321.425 1.135 10 0 DDAERO NC(=O)CSc1ccccc1NC(=O)C1CCC([NH3+])CC1 ZINC000037629272 418415403 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CCN(C(=O)[C@H](C)[NH2+]C[C@H]1CN(C)CCO1)c1ccccc1 ZINC000105933667 281052370 /nfs/dbraw/zinc/05/23/70/281052370.db2.gz LMPPIQPVHPNYAZ-HOCLYGCPSA-N 1 0 305.422 1.348 10 0 DDAERO CC[C@@H]1CN(C(=O)N[C@@H](COC)C2CC2)CC[N@@H+]1CCOC ZINC000120085281 281112549 /nfs/dbraw/zinc/11/25/49/281112549.db2.gz MRCVNVDFEUMGMP-CABCVRRESA-N 1 0 313.442 1.164 10 0 DDAERO CC1(C)CN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CC[C@@H]1[NH3+] ZINC000262174816 281193665 /nfs/dbraw/zinc/19/36/65/281193665.db2.gz YRZHZYHNVUXNGX-KGLIPLIRSA-N 1 0 307.438 1.221 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2ccccc2[nH]c1=O ZINC000172056681 288305084 /nfs/dbraw/zinc/30/50/84/288305084.db2.gz ALXXAIGQRFECLC-TZMCWYRMSA-N 1 0 311.385 1.837 10 0 DDAERO O=S(=O)(c1ccc2c(c1)CCC2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247558473 282060015 /nfs/dbraw/zinc/06/00/15/282060015.db2.gz RIOJFQFKEHLULL-HNNXBMFYSA-N 1 0 306.431 1.644 10 0 DDAERO CN1C(=O)C[C@@H](C(=O)NCCC[NH+](C)C)[C@H]1c1ccc(F)cc1 ZINC000121824694 289116452 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Cc1c(Cl)cccc1S(=O)(=O)N1CCC(O)(C[NH3+])CC1 ZINC000397035075 302352084 /nfs/dbraw/zinc/35/20/84/302352084.db2.gz ZRQRNYFCOYEQGI-UHFFFAOYSA-N 1 0 318.826 1.123 10 0 DDAERO CN(Cc1ccccc1)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398701221 302360737 /nfs/dbraw/zinc/36/07/37/302360737.db2.gz LUXSGJGFFVQVFS-ULQDDVLXSA-N 1 0 302.418 1.738 10 0 DDAERO COC[C@H](C[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1)OC ZINC000400321646 302368768 /nfs/dbraw/zinc/36/87/68/302368768.db2.gz BHAUJUKZTKQBDO-IHRRRGAJSA-N 1 0 316.442 1.883 10 0 DDAERO CCN(C)C(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400747200 302370527 /nfs/dbraw/zinc/37/05/27/302370527.db2.gz UQQNCUUQIGPLAE-STQMWFEESA-N 1 0 313.442 1.700 10 0 DDAERO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1ccn(C(F)F)n1 ZINC000261988027 303372954 /nfs/dbraw/zinc/37/29/54/303372954.db2.gz JXCBRBJMHAJIBD-LBPRGKRZSA-N 1 0 315.368 1.098 10 0 DDAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2c(Cl)cccc2Cl)C1 ZINC000564164050 307992396 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Cc1cc(N2CCC[C@H]([NH2+]C[C@@H](O)c3cccnc3)C2)n(C)n1 ZINC000819266834 704097542 /nfs/dbraw/zinc/09/75/42/704097542.db2.gz PMIGISRXOLZVHB-JKSUJKDBSA-N 1 0 315.421 1.416 10 0 DDAERO CN1CCC[C@H]1c1cc(C(=O)N[C@@H]2CCCn3ncnc32)[nH]n1 ZINC000896893109 708174753 /nfs/dbraw/zinc/17/47/53/708174753.db2.gz OZRJYPDGLSTULF-MFKMUULPSA-N 1 0 315.381 1.033 10 0 DDAERO C[NH+](C)Cc1cc(O[C@H]2CCN(Cc3ccon3)C2)ccn1 ZINC000886026733 708683829 /nfs/dbraw/zinc/68/38/29/708683829.db2.gz RRCFFKIFJZWTCF-INIZCTEOSA-N 1 0 302.378 1.785 10 0 DDAERO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+][C@@H](C)c1cn(C)nn1 ZINC000902824225 710917942 /nfs/dbraw/zinc/91/79/42/710917942.db2.gz IANSPYJOAAQEOB-OUCADQQQSA-N 1 0 305.426 1.503 10 0 DDAERO O=S1(=O)CCC[C@@H]1C[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000930509844 713853544 /nfs/dbraw/zinc/85/35/44/713853544.db2.gz NYDXTVHXOGSTOY-CHWSQXEVSA-N 1 0 303.811 1.540 10 0 DDAERO CC[C@@H]1CN(C(=O)NCc2cccc(C)n2)CC[N@@H+]1C[C@H](C)O ZINC000248457213 282084938 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C[NH2+][C@@H]1CCC2(C[C@@H]1Sc1nnc(C)s1)OCCO2 ZINC000081873911 192333562 /nfs/dbraw/zinc/33/35/62/192333562.db2.gz MMCDJZBMZUWMBJ-ZJUUUORDSA-N 1 0 301.437 1.822 10 0 DDAERO COc1ccc2c(c1)CC[C@@H](Sc1n[nH]c(=O)n1C)[C@H]2[NH3+] ZINC000081880418 192334584 /nfs/dbraw/zinc/33/45/84/192334584.db2.gz BBOWGQFKTKDXRL-NEPJUHHUSA-N 1 0 306.391 1.224 10 0 DDAERO C[C@H](CS(C)(=O)=O)[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000081902549 192336152 /nfs/dbraw/zinc/33/61/52/192336152.db2.gz DOIPIPRJWXFYOG-MRVPVSSYSA-N 1 0 305.783 1.591 10 0 DDAERO CCOCCC[N@@H+]1CC[C@@H](NCc2nnc(CC)n2C)[C@H](C)C1 ZINC000248860563 282112257 /nfs/dbraw/zinc/11/22/57/282112257.db2.gz ACTYJEAJUIQJJN-HUUCEWRRSA-N 1 0 323.485 1.604 10 0 DDAERO CC(C)C[NH2+]CCCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000081935583 192342863 /nfs/dbraw/zinc/34/28/63/192342863.db2.gz HGXOXEZOAMEWIY-UHFFFAOYSA-N 1 0 313.419 1.867 10 0 DDAERO CC[NH2+][C@@H](CS(=O)(=O)CCOC)c1cccc(OC)c1 ZINC000081944079 192343886 /nfs/dbraw/zinc/34/38/86/192343886.db2.gz BYEIJRVZOYDDJJ-AWEZNQCLSA-N 1 0 301.408 1.407 10 0 DDAERO C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1ccc(S(C)(=O)=O)cc1 ZINC000079520098 185173761 /nfs/dbraw/zinc/17/37/61/185173761.db2.gz VGUOZSOBJAXRGE-NHYWBVRUSA-N 1 0 310.419 1.409 10 0 DDAERO C[NH2+][C@H](CCO)C[S@@](=O)c1ccccc1Br ZINC000082990316 185210480 /nfs/dbraw/zinc/21/04/80/185210480.db2.gz BNNQEEMPUFZLSW-ABKXIKBNSA-N 1 0 306.225 1.527 10 0 DDAERO COC[C@H](C)C(=O)N(Cc1cncnc1)[C@@H]1CCC[NH2+]CC1 ZINC000328646887 231285321 /nfs/dbraw/zinc/28/53/21/231285321.db2.gz SVRMOAQJVLIWEH-DZGCQCFKSA-N 1 0 306.410 1.230 10 0 DDAERO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+][C@@H]2CCC(=O)NC23CCC3)C1 ZINC000328684793 231306562 /nfs/dbraw/zinc/30/65/62/231306562.db2.gz FGLRATQUNJKWGZ-VXGBXAGGSA-N 1 0 322.409 1.391 10 0 DDAERO CC(C)[C@@H](C[NH3+])NS(=O)(=O)c1ccc2c(c1)[C@H](C)C(=O)N2 ZINC000087404632 185224015 /nfs/dbraw/zinc/22/40/15/185224015.db2.gz BRXCBOUQZYIAEA-TVQRCGJNSA-N 1 0 311.407 1.004 10 0 DDAERO COc1ccc(S(=O)(=O)N[C@H](C[NH3+])C(C)C)cc1Cl 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ZINC000081975375 192347808 /nfs/dbraw/zinc/34/78/08/192347808.db2.gz WXXHJBVKLIMKCC-CQSZACIVSA-N 1 0 313.419 1.542 10 0 DDAERO O=S(=O)(Nc1ccc2c(c1)OC(F)(F)O2)[C@H]1CC[NH2+]C1 ZINC000088056154 185238202 /nfs/dbraw/zinc/23/82/02/185238202.db2.gz KWHYYEXVQDYHGO-QMMMGPOBSA-N 1 0 306.290 1.112 10 0 DDAERO Cc1nn(C)c(C[S@](=O)[C@H](C)CC[NH3+])c1Br ZINC000088087924 185239416 /nfs/dbraw/zinc/23/94/16/185239416.db2.gz MDYGGZKTIRXEQP-VGDKGRGNSA-N 1 0 308.245 1.477 10 0 DDAERO COc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1C(N)=S ZINC000087832355 185232387 /nfs/dbraw/zinc/23/23/87/185232387.db2.gz VJPPILMHSWPISS-LLVKDONJSA-N 1 0 307.419 1.027 10 0 DDAERO NNc1nc(NCCN2CCCCC2)c(Br)c[nH+]1 ZINC000087866092 185233881 /nfs/dbraw/zinc/23/38/81/185233881.db2.gz BHIGIUJXINJLNR-UHFFFAOYSA-N 1 0 315.219 1.423 10 0 DDAERO CCc1nc(S(=O)(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c[nH]1 ZINC000088165119 185241095 /nfs/dbraw/zinc/24/10/95/185241095.db2.gz JPFQWXVOJUAZCS-YOGCLGLASA-N 1 0 312.439 1.266 10 0 DDAERO CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccccc1S(N)(=O)=O ZINC000088277655 185244664 /nfs/dbraw/zinc/24/46/64/185244664.db2.gz ZQGOIQRAWMAVSJ-NSHDSACASA-N 1 0 313.423 1.284 10 0 DDAERO CC[NH2+]Cc1nnnn1-c1ccc(OC)c(Br)c1 ZINC000088322408 185245788 /nfs/dbraw/zinc/24/57/88/185245788.db2.gz WRUSKCUTHKDFHM-UHFFFAOYSA-N 1 0 312.171 1.543 10 0 DDAERO C[C@H]([NH2+]CC(=O)NCCO[C@H]1CCCC[C@H]1C)[C@@H]1CCCO1 ZINC000183221961 539241385 /nfs/dbraw/zinc/24/13/85/539241385.db2.gz WUGUWCSNLHVBNF-UGUYLWEFSA-N 1 0 312.454 1.855 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)C(C)C ZINC000183641115 539242703 /nfs/dbraw/zinc/24/27/03/539242703.db2.gz IIQJVXNLWRFRED-BLLLJJGKSA-N 1 0 323.412 1.705 10 0 DDAERO CCOc1ccccc1OCC[C@@H]([NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000088415719 185249079 /nfs/dbraw/zinc/24/90/79/185249079.db2.gz BUNPNDUXCJBIBB-CHWSQXEVSA-N 1 0 313.419 1.616 10 0 DDAERO O=S(=O)(C1CC[NH2+]CC1)N1CCC(C(F)(F)F)CC1 ZINC000088433068 185249624 /nfs/dbraw/zinc/24/96/24/185249624.db2.gz RNCOUNMOBAXGBQ-UHFFFAOYSA-N 1 0 300.346 1.343 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCCO[C@H](C)C2)o1 ZINC000088544551 185257188 /nfs/dbraw/zinc/25/71/88/185257188.db2.gz JUCIFRDWKAZDNT-LLVKDONJSA-N 1 0 302.396 1.189 10 0 DDAERO CCC[NH2+]Cc1ccc(S(=O)(=O)NC[C@@H](C)COC)o1 ZINC000088543098 185256272 /nfs/dbraw/zinc/25/62/72/185256272.db2.gz FWEXTMJRGNJUMK-LLVKDONJSA-N 1 0 304.412 1.340 10 0 DDAERO CCN(CCC[NH2+]Cc1ccccc1COC)S(C)(=O)=O ZINC000088556933 185257796 /nfs/dbraw/zinc/25/77/96/185257796.db2.gz VMZMTBOTTISKPU-UHFFFAOYSA-N 1 0 314.451 1.594 10 0 DDAERO COc1cc(C[C@@H](C)[NH3+])cc(Cl)c1OCc1ncnn1C ZINC000088582616 185258473 /nfs/dbraw/zinc/25/84/73/185258473.db2.gz NEMLHZKFASNICW-SECBINFHSA-N 1 0 310.785 1.946 10 0 DDAERO Nc1c2ccccc2sc1C(=O)NCCN1CC[NH2+]CC1 ZINC000088638265 185260581 /nfs/dbraw/zinc/26/05/81/185260581.db2.gz QIRYLXAPKQJCFS-UHFFFAOYSA-N 1 0 304.419 1.119 10 0 DDAERO C[NH+](C)C1CCN(C(=O)c2sc3nccnc3c2N)CC1 ZINC000088640855 185260856 /nfs/dbraw/zinc/26/08/56/185260856.db2.gz LIONSKMBNCSCPO-UHFFFAOYSA-N 1 0 305.407 1.440 10 0 DDAERO C[C@@H](c1ccccc1Br)N1CC[NH2+]C[C@@H]1C(N)=O ZINC000088659227 185261680 /nfs/dbraw/zinc/26/16/80/185261680.db2.gz SMGBSEGDQRZTES-JOYOIKCWSA-N 1 0 312.211 1.269 10 0 DDAERO C[C@@H](c1cc(F)c(Cl)cc1Cl)N1CC[NH2+]C[C@@H]1C(N)=O ZINC000088659052 185261868 /nfs/dbraw/zinc/26/18/68/185261868.db2.gz MEHKXMUJQNFILP-JVXZTZIISA-N 1 0 320.195 1.953 10 0 DDAERO CCc1ccc([C@H](C[S@@](=O)CCS(C)(=O)=O)[NH2+]C)cc1 ZINC000081993121 192352495 /nfs/dbraw/zinc/35/24/95/192352495.db2.gz XKGJYRSNYQSTKI-IFXJQAMLSA-N 1 0 317.476 1.303 10 0 DDAERO CC(C)c1ccc([C@H]([NH3+])C[S@@](=O)CCS(C)(=O)=O)cc1 ZINC000081991964 192351990 /nfs/dbraw/zinc/35/19/90/192351990.db2.gz DYFHRHGDYAQRDP-AUUYWEPGSA-N 1 0 317.476 1.603 10 0 DDAERO Clc1ccc(Cl)c(CN2CCN(C3C[NH2+]C3)CC2)n1 ZINC000090307775 185290233 /nfs/dbraw/zinc/29/02/33/185290233.db2.gz OTHFNEFNQBVAIH-UHFFFAOYSA-N 1 0 301.221 1.478 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000090312919 185290609 /nfs/dbraw/zinc/29/06/09/185290609.db2.gz QUASOMDSZWLMSB-MCIONIFRSA-N 1 0 312.435 1.395 10 0 DDAERO O=C(c1cc(Br)cn1C1CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090321532 185290870 /nfs/dbraw/zinc/29/08/70/185290870.db2.gz NPNUFMNKUOSBCN-AOOOYVTPSA-N 1 0 324.222 1.877 10 0 DDAERO CCCNS(=O)(=O)c1ccccc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090322838 185291078 /nfs/dbraw/zinc/29/10/78/185291078.db2.gz YWWSIHAOOVMLAT-STQMWFEESA-N 1 0 309.435 1.031 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cc(Br)c[nH]1 ZINC000090331274 185291285 /nfs/dbraw/zinc/29/12/85/185291285.db2.gz JUUAKPAVHCAWTO-HLUHBDAQSA-N 1 0 312.211 1.847 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)CCc1ccccc1 ZINC000090336974 185291944 /nfs/dbraw/zinc/29/19/44/185291944.db2.gz KETWKPAGUDSIEM-CABCVRRESA-N 1 0 308.447 1.489 10 0 DDAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ncccc1Br ZINC000090493278 185299020 /nfs/dbraw/zinc/29/90/20/185299020.db2.gz GRONBPAADQVHQO-PSASIEDQSA-N 1 0 314.183 1.407 10 0 DDAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1COC[C@H]1[NH3+] ZINC000090381752 185293773 /nfs/dbraw/zinc/29/37/73/185293773.db2.gz OBBLXUIXMDHOIV-BXKDBHETSA-N 1 0 303.189 1.926 10 0 DDAERO C[NH2+][C@H](C[S@](=O)CCCOC)c1ccc2c(c1)OCCO2 ZINC000081999402 192353697 /nfs/dbraw/zinc/35/36/97/192353697.db2.gz PZHKPQWRXQLTBW-ASSNKEHSSA-N 1 0 313.419 1.504 10 0 DDAERO [NH3+]C1CCC(OCCNc2ncncc2Br)CC1 ZINC000090781746 185311761 /nfs/dbraw/zinc/31/17/61/185311761.db2.gz JTNGVULIFLQOKM-UHFFFAOYSA-N 1 0 315.215 1.938 10 0 DDAERO CCS(=O)(=O)CCn1nc(C)c(C[C@H](C)C[NH2+]C)c1C ZINC000092323582 185312271 /nfs/dbraw/zinc/31/22/71/185312271.db2.gz LHVYJGBJMXBVEA-NSHDSACASA-N 1 0 301.456 1.333 10 0 DDAERO Cc1noc(C)c1[C@H](C)NS(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000092339898 185312883 /nfs/dbraw/zinc/31/28/83/185312883.db2.gz NYJLQCCLWINYDR-CMPLNLGQSA-N 1 0 301.412 1.414 10 0 DDAERO O=C1c2ccccc2C(=O)N1CC[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000306685162 539293942 /nfs/dbraw/zinc/29/39/42/539293942.db2.gz ISQHWASXIZBOEK-IHRRRGAJSA-N 1 0 314.385 1.375 10 0 DDAERO C[C@@H]1CCCC[C@@H]1OCCN1CCO[C@H](c2nncn2C)C1 ZINC000328649829 539298287 /nfs/dbraw/zinc/29/82/87/539298287.db2.gz VFAIQQFFPAQANI-ILXRZTDVSA-N 1 0 308.426 1.784 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccnc(Cl)c1 ZINC000092627830 185330517 /nfs/dbraw/zinc/33/05/17/185330517.db2.gz BBIQWOUDRSCMAT-LLVKDONJSA-N 1 0 317.842 1.840 10 0 DDAERO COc1ccc(NC(=O)c2cn(C3C[NH2+]C3)nn2)cc1Cl ZINC000092700033 185333878 /nfs/dbraw/zinc/33/38/78/185333878.db2.gz JEFLZXOBHCBKEK-UHFFFAOYSA-N 1 0 307.741 1.337 10 0 DDAERO CCn1cc(S(=O)(=O)NCC2C(C)(C)C2(C)C)cc1C[NH3+] ZINC000092833148 185344805 /nfs/dbraw/zinc/34/48/05/185344805.db2.gz BWCGRZCSTZQUEV-UHFFFAOYSA-N 1 0 313.467 1.927 10 0 DDAERO CCC[NH2+]C1CCN(S(=O)(=O)c2cn(CC)cn2)CC1 ZINC000092889723 185347900 /nfs/dbraw/zinc/34/79/00/185347900.db2.gz SNMROIWZJKLFFE-UHFFFAOYSA-N 1 0 300.428 1.056 10 0 DDAERO CCCN(C(CC)(CC)C[NH3+])S(=O)(=O)c1cn(CC)cn1 ZINC000092889828 185347931 /nfs/dbraw/zinc/34/79/31/185347931.db2.gz OZOOHPAEEAAKIE-UHFFFAOYSA-N 1 0 316.471 1.821 10 0 DDAERO CCn1cnc(S(=O)(=O)N2CCCC[C@H]2C[NH2+]C(C)C)c1 ZINC000092910945 185348681 /nfs/dbraw/zinc/34/86/81/185348681.db2.gz ATLXKXOIRUBCKM-ZDUSSCGKSA-N 1 0 314.455 1.444 10 0 DDAERO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000092951509 185350329 /nfs/dbraw/zinc/35/03/29/185350329.db2.gz ZRWDEIZSYRPJMD-KOLCDFICSA-N 1 0 309.797 1.978 10 0 DDAERO COCCOc1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)ccn1 ZINC000181777981 199350776 /nfs/dbraw/zinc/35/07/76/199350776.db2.gz RYFVDGIOWDBNAU-ZFWWWQNUSA-N 1 0 321.421 1.565 10 0 DDAERO Cc1n[nH]c(C)c1S(=O)(=O)N[C@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000111373812 185589657 /nfs/dbraw/zinc/58/96/57/185589657.db2.gz QWVGAJWCNPWMJE-NOZJJQNGSA-N 1 0 300.428 1.212 10 0 DDAERO COC[C@@H]([NH3+])CN(C)C(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000111368468 185588231 /nfs/dbraw/zinc/58/82/31/185588231.db2.gz HETKDRNLJRDLJD-YFKPBYRVSA-N 1 0 312.238 1.428 10 0 DDAERO CN1CCN(S(=O)(=O)CC2CC[NH2+]CC2)c2ccccc21 ZINC000111616451 185617865 /nfs/dbraw/zinc/61/78/65/185617865.db2.gz PPJCRPGWVYJUPV-UHFFFAOYSA-N 1 0 309.435 1.272 10 0 DDAERO O=C(COC1CC[NH2+]CC1)Nc1ccc(Br)cn1 ZINC000111757363 185633734 /nfs/dbraw/zinc/63/37/34/185633734.db2.gz KDPJKQRAHFLZQS-UHFFFAOYSA-N 1 0 314.183 1.551 10 0 DDAERO C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@@H]1[NH3+] ZINC000235663608 201919250 /nfs/dbraw/zinc/91/92/50/201919250.db2.gz DEOOZMINNZBCDX-KWQFWETISA-N 1 0 308.325 1.673 10 0 DDAERO CC[NH2+]Cc1cc(Cl)c(OC[C@@H](O)COC)c(OC)c1 ZINC000069053393 190795163 /nfs/dbraw/zinc/79/51/63/190795163.db2.gz DGEIZZJNRDDEDB-NSHDSACASA-N 1 0 303.786 1.844 10 0 DDAERO C[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)N(C)C)C1C[NH2+]C1 ZINC000262532549 295779372 /nfs/dbraw/zinc/77/93/72/295779372.db2.gz MECHACUXCPKHAH-ABAIWWIYSA-N 1 0 309.841 1.914 10 0 DDAERO C[C@H]1CC[C@@H](C[NH3+])CN1S(=O)(=O)c1ccc(F)c(F)c1F ZINC000070181290 190869198 /nfs/dbraw/zinc/86/91/98/190869198.db2.gz KDGXSVWNCZKRIH-IUCAKERBSA-N 1 0 322.352 1.852 10 0 DDAERO Cc1sc2ncnc(N(C)CCN3CC[NH2+]CC3)c2c1C ZINC000071151201 190936708 /nfs/dbraw/zinc/93/67/08/190936708.db2.gz CQJGPYZZLYIUCA-UHFFFAOYSA-N 1 0 305.451 1.650 10 0 DDAERO CC[NH2+][C@H](C[S@](=O)CCOC)c1ccc2c(c1)OCCO2 ZINC000084035421 192396469 /nfs/dbraw/zinc/39/64/69/192396469.db2.gz FIGAHFRDPZSKGX-ASSNKEHSSA-N 1 0 313.419 1.504 10 0 DDAERO COc1ccc(OC)c([C@@H]([NH3+])C[S@@](=O)C2CCOCC2)c1 ZINC000084054313 192397271 /nfs/dbraw/zinc/39/72/71/192397271.db2.gz IFBKDLAXUIONOW-QKKBWIMNSA-N 1 0 313.419 1.631 10 0 DDAERO CS(=O)(=O)c1ccc([S@@](=O)C[C@H]([NH3+])c2ccccc2)cc1 ZINC000084055928 192398079 /nfs/dbraw/zinc/39/80/79/192398079.db2.gz FEVJEQKBBMAGHW-MGPUTAFESA-N 1 0 323.439 1.898 10 0 DDAERO [NH3+]C[C@H]1CCC[C@@H]1S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000084270140 192419034 /nfs/dbraw/zinc/41/90/34/192419034.db2.gz SDPLRNJLXOEVJZ-ABAIWWIYSA-N 1 0 311.403 1.749 10 0 DDAERO Cc1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c(F)c1 ZINC000150785272 186065918 /nfs/dbraw/zinc/06/59/18/186065918.db2.gz XCRAZXWAQGVIKG-WFASDCNBSA-N 1 0 321.396 1.918 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CNC(=O)c2cccs2)C1 ZINC000155698786 186104472 /nfs/dbraw/zinc/10/44/72/186104472.db2.gz UDFISMTYODITFP-NEPJUHHUSA-N 1 0 309.435 1.323 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(=O)n(C)c1 ZINC000173331617 186177385 /nfs/dbraw/zinc/17/73/85/186177385.db2.gz VBJGTSUWGMIKHJ-ZIAGYGMSSA-N 1 0 304.394 1.476 10 0 DDAERO COC[C@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171906795 198006039 /nfs/dbraw/zinc/00/60/39/198006039.db2.gz YJOQWTGIDVSZER-CVEARBPZSA-N 1 0 303.406 1.864 10 0 DDAERO CC(C)[N@H+]1C[C@H](NS(=O)(=O)CCc2ccccc2)[C@@H](C)C1 ZINC000173883873 198263426 /nfs/dbraw/zinc/26/34/26/198263426.db2.gz PTWKHIUTPQHPMV-HOCLYGCPSA-N 1 0 310.463 1.877 10 0 DDAERO Cc1ccc(N2CCC[C@@H]([NH2+]C[C@@H]3CN(C)CCO3)C2=O)cc1 ZINC000174083794 198288796 /nfs/dbraw/zinc/28/87/96/198288796.db2.gz FQNSPSYKUYYTBG-IAGOWNOFSA-N 1 0 317.433 1.411 10 0 DDAERO CC[C@@H]1CN(C(=O)c2cc(Cl)cn2C)CC[N@@H+]1C[C@@H](C)O ZINC000174592138 198356924 /nfs/dbraw/zinc/35/69/24/198356924.db2.gz GSHYQLOHMQFQMO-DGCLKSJQSA-N 1 0 313.829 1.596 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccco2)CC12CCOCC2 ZINC000097942818 353921079 /nfs/dbraw/zinc/92/10/79/353921079.db2.gz HWJWVQGASOWVMT-CQSZACIVSA-N 1 0 321.421 1.779 10 0 DDAERO CC1(C)O[C@H]2O[C@H](C[N@@H+]3CCC[C@H]3c3ccccn3)[C@@H](O)[C@H]2O1 ZINC000106385119 353939175 /nfs/dbraw/zinc/93/91/75/353939175.db2.gz BROBLMZLNSWKNT-UYJHQMFVSA-N 1 0 320.389 1.456 10 0 DDAERO CC(C)(C(=O)NCc1ccc(F)c(Cl)c1)N1CC[NH2+]CC1 ZINC000129730971 354084948 /nfs/dbraw/zinc/08/49/48/354084948.db2.gz BUXOWMLLTDRPRP-UHFFFAOYSA-N 1 0 313.804 1.779 10 0 DDAERO c1cc(COC[C@H]2C[NH2+]C[C@@H](CN3CCCCC3)N2)ccn1 ZINC000136461913 354116918 /nfs/dbraw/zinc/11/69/18/354116918.db2.gz XZRIVNHQJIEVPS-DLBZAZTESA-N 1 0 304.438 1.014 10 0 DDAERO CCNC(=O)c1ccc(OC[C@H](O)C[NH2+]CC)c(Cl)c1 ZINC000196470883 354299235 /nfs/dbraw/zinc/29/92/35/354299235.db2.gz BSVZUHOUBNUNKI-LLVKDONJSA-N 1 0 300.786 1.439 10 0 DDAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)COC(C)(C)C ZINC000250153467 354380901 /nfs/dbraw/zinc/38/09/01/354380901.db2.gz LTCXNRLIYJYZFY-KGLIPLIRSA-N 1 0 300.443 1.495 10 0 DDAERO CCCC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262243466 354392045 /nfs/dbraw/zinc/39/20/45/354392045.db2.gz BXKPJYHHRZCUND-ZNMIVQPWSA-N 1 0 309.454 1.659 10 0 DDAERO CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000262549360 354392780 /nfs/dbraw/zinc/39/27/80/354392780.db2.gz PHFPWBXYALNXKY-KKUMJFAQSA-N 1 0 309.454 1.611 10 0 DDAERO COC(=O)[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)Cc1cccc(C)c1 ZINC000262640561 354394770 /nfs/dbraw/zinc/39/47/70/354394770.db2.gz RGNXIXGZVHZMDN-PMPSAXMXSA-N 1 0 318.417 1.570 10 0 DDAERO 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O=S(=O)(CC[C@H]1CCCC[NH2+]1)Nc1nc2ccccc2[nH]1 ZINC000110538589 194337718 /nfs/dbraw/zinc/33/77/18/194337718.db2.gz QLLOUZJYGJXCMX-LLVKDONJSA-N 1 0 308.407 1.837 10 0 DDAERO Cn1ncc2c1ncn(CC[NH2+]Cc1ccc(Cl)s1)c2=O ZINC000053533324 183905679 /nfs/dbraw/zinc/90/56/79/183905679.db2.gz FQUYZPVJADNYAP-UHFFFAOYSA-N 1 0 323.809 1.635 10 0 DDAERO CN(C)S(=O)(=O)c1ccccc1NCC[C@@H]1CCC[NH2+]C1 ZINC000110793621 194359333 /nfs/dbraw/zinc/35/93/33/194359333.db2.gz SPVODXCWHKLIRU-ZDUSSCGKSA-N 1 0 311.451 1.739 10 0 DDAERO NC(=S)C[NH+]1CCC(NC(=O)Nc2cccc(F)c2)CC1 ZINC000110826135 194362157 /nfs/dbraw/zinc/36/21/57/194362157.db2.gz PCQXTUBJSHTXDH-UHFFFAOYSA-N 1 0 310.398 1.698 10 0 DDAERO CN(c1ccc(S(=O)(=O)NC2CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110932547 194371306 /nfs/dbraw/zinc/37/13/06/194371306.db2.gz AGAGZOBDRNJUCU-CQSZACIVSA-N 1 0 309.435 1.316 10 0 DDAERO CN(CCC[NH+](C)C)c1nc2c(cc1C(N)=S)CCCC2 ZINC000111139037 194394770 /nfs/dbraw/zinc/39/47/70/194394770.db2.gz IWWYAMHYAPZACX-UHFFFAOYSA-N 1 0 306.479 1.983 10 0 DDAERO C[C@@H]([NH3+])c1ccc(S(=O)(=O)N(C)CC2CCOCC2)cc1 ZINC000111179553 194398910 /nfs/dbraw/zinc/39/89/10/194398910.db2.gz MXEJOISDIPSYRN-GFCCVEGCSA-N 1 0 312.435 1.753 10 0 DDAERO COS(=O)(=O)N[C@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000056659441 184017277 /nfs/dbraw/zinc/01/72/77/184017277.db2.gz YVWBLOGFTFHGMC-LSDHHAIUSA-N 1 0 306.387 1.909 10 0 DDAERO CCNC(=O)[C@H](C)[NH2+]Cc1ccc(O)c(Br)c1 ZINC000057988209 184064991 /nfs/dbraw/zinc/06/49/91/184064991.db2.gz WUCLFHPPEVNIJC-QMMMGPOBSA-N 1 0 301.184 1.769 10 0 DDAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(NS(=O)(=O)CC)cc1 ZINC000061234973 184166932 /nfs/dbraw/zinc/16/69/32/184166932.db2.gz ORDSSSKCRSPIFI-LLVKDONJSA-N 1 0 313.423 1.632 10 0 DDAERO Cn1c(Sc2c(C(N)=[NH2+])cnc3ccccc32)n[nH]c1=O ZINC000061592865 184175891 /nfs/dbraw/zinc/17/58/91/184175891.db2.gz SAMMLDSENWEOKE-UHFFFAOYSA-N 1 0 300.347 1.092 10 0 DDAERO Cc1cc(C)c(C(N)=[NH2+])c(Sc2n[nH]c(=O)n2C(C)C)n1 ZINC000061595674 184176527 /nfs/dbraw/zinc/17/65/27/184176527.db2.gz VZHFYCXEIGSDBC-UHFFFAOYSA-N 1 0 306.395 1.599 10 0 DDAERO O=C(Nc1cc(Br)ccc1Cl)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000061692504 184183452 /nfs/dbraw/zinc/18/34/52/184183452.db2.gz FBGVXOMINRUGAY-XVKPBYJWSA-N 1 0 319.586 1.764 10 0 DDAERO CC[NH2+]C[C@@]1(CN2CCN(CC(F)(F)F)CC2)CCOC1 ZINC000061947582 184197781 /nfs/dbraw/zinc/19/77/81/184197781.db2.gz DYFYLGMMYHBWSM-CYBMUJFWSA-N 1 0 309.376 1.183 10 0 DDAERO COCCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C(N)=S)c1 ZINC000062031587 184202154 /nfs/dbraw/zinc/20/21/54/184202154.db2.gz RLFDLDBFZKQJSY-NSHDSACASA-N 1 0 309.435 1.616 10 0 DDAERO Cc1ccc([C@H]([C@H](C)[NH3+])N2CCN(S(C)(=O)=O)CC2)s1 ZINC000062081670 184205047 /nfs/dbraw/zinc/20/50/47/184205047.db2.gz QHSMAKWHIAWBPN-AAEUAGOBSA-N 1 0 317.480 1.022 10 0 DDAERO [NH3+]C[C@H](c1ccc(Br)s1)N1CCNC(=O)CC1 ZINC000062099450 184205988 /nfs/dbraw/zinc/20/59/88/184205988.db2.gz GXJYGNBGVAOJOA-MRVPVSSYSA-N 1 0 318.240 1.332 10 0 DDAERO [NH3+]C[C@H](c1cccc(Br)c1)N1CCNC(=O)CC1 ZINC000062099590 184206087 /nfs/dbraw/zinc/20/60/87/184206087.db2.gz ODBOVJTUIOZJGN-GFCCVEGCSA-N 1 0 312.211 1.271 10 0 DDAERO Cc1ncc(C[C@H](C[NH2+]C2CC2)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000062337388 184230951 /nfs/dbraw/zinc/23/09/51/184230951.db2.gz UMTZKBRCIITXFK-VXGBXAGGSA-N 1 0 314.476 1.797 10 0 DDAERO COCC[NH2+]Cc1cc(Cl)cc(Cl)c1O[C@@H](C)C(N)=O ZINC000062733004 184251104 /nfs/dbraw/zinc/25/11/04/184251104.db2.gz IDPLCXFHOKDWIJ-QMMMGPOBSA-N 1 0 321.204 1.982 10 0 DDAERO CNC(=O)CN(C)c1nc2sccn2c1C[NH2+]C(C)(C)C ZINC000062735652 184251111 /nfs/dbraw/zinc/25/11/11/184251111.db2.gz ZMTMGBLELQMEGU-UHFFFAOYSA-N 1 0 309.439 1.466 10 0 DDAERO CCNC(=O)CCOc1ccc(Cl)cc1C[NH2+]CCOC ZINC000062731085 184251321 /nfs/dbraw/zinc/25/13/21/184251321.db2.gz QCIISJIVNXVUGR-UHFFFAOYSA-N 1 0 314.813 1.981 10 0 DDAERO CC1(C(=O)Nc2ccccc2SCC(N)=O)CC[NH2+]CC1 ZINC000062840228 184255590 /nfs/dbraw/zinc/25/55/90/184255590.db2.gz BLFLGSWJQYLTPA-UHFFFAOYSA-N 1 0 307.419 1.592 10 0 DDAERO C[C@@]1(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)CCC[NH2+]C1 ZINC000062857007 184257217 /nfs/dbraw/zinc/25/72/17/184257217.db2.gz VZDRQXPERUEQLY-IJEWVQPXSA-N 1 0 312.479 1.889 10 0 DDAERO CC(C)[NH2+][C@H](CCSc1ncnc2ccccc21)C(N)=O ZINC000062601378 184244699 /nfs/dbraw/zinc/24/46/99/184244699.db2.gz ZZCXNIQRJBVFCK-CYBMUJFWSA-N 1 0 304.419 1.964 10 0 DDAERO CC[NH2+]Cc1ccc(O[C@@H](C)C(N)=O)c(Br)c1 ZINC000062701219 184247408 /nfs/dbraw/zinc/24/74/08/184247408.db2.gz BYWLJZPRYWTQIU-QMMMGPOBSA-N 1 0 301.184 1.811 10 0 DDAERO [NH3+][C@@H]1CCCCC[C@H]1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000063213721 184278721 /nfs/dbraw/zinc/27/87/21/184278721.db2.gz AWYMRISPKGUOIP-CHWSQXEVSA-N 1 0 304.362 1.903 10 0 DDAERO [NH3+][C@H]1CCCCC[C@H]1NS(=O)(=O)Cc1ccc(F)cc1 ZINC000063213626 184278982 /nfs/dbraw/zinc/27/89/82/184278982.db2.gz UOAGKKVAUCCIPE-UONOGXRCSA-N 1 0 300.399 1.905 10 0 DDAERO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)Cc2cccc(N)c2)C1 ZINC000062975671 184263876 /nfs/dbraw/zinc/26/38/76/184263876.db2.gz IYPXUHNCZUBIHC-OAHLLOKOSA-N 1 0 311.451 1.515 10 0 DDAERO CC[NH2+][C@@H](CC)c1c(C)nn(CCCS(C)(=O)=O)c1C ZINC000063018581 184267235 /nfs/dbraw/zinc/26/72/35/184267235.db2.gz VFOJHELKWPRNQJ-ZDUSSCGKSA-N 1 0 301.456 1.995 10 0 DDAERO CN(CC[NH+]1CCCC1)S(=O)(=O)c1cc(Cl)ccc1N ZINC000063051390 184268888 /nfs/dbraw/zinc/26/88/88/184268888.db2.gz PACCSWLHLISJOV-UHFFFAOYSA-N 1 0 317.842 1.639 10 0 DDAERO [NH3+]CC[C@@H]1CN(S(=O)(=O)C2CCOCC2)c2ccccc21 ZINC000063128283 184271615 /nfs/dbraw/zinc/27/16/15/184271615.db2.gz XWVBAVSZFSVJOK-GFCCVEGCSA-N 1 0 310.419 1.448 10 0 DDAERO CCOCCS(=O)(=O)N(CCC[NH3+])C1CCCCCC1 ZINC000063153267 184274189 /nfs/dbraw/zinc/27/41/89/184274189.db2.gz XLKVQQXSVFNNEJ-UHFFFAOYSA-N 1 0 306.472 1.726 10 0 DDAERO [NH3+]CCCN(C1CCCCC1)S(=O)(=O)C[C@H]1CCCO1 ZINC000063154855 184274397 /nfs/dbraw/zinc/27/43/97/184274397.db2.gz FSBONVSZOSOZEF-CQSZACIVSA-N 1 0 304.456 1.479 10 0 DDAERO C[NH2+]C[C@@H]1CCCCN1C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000063167856 184275794 /nfs/dbraw/zinc/27/57/94/184275794.db2.gz REGHTPIODTYHRA-ZDUSSCGKSA-N 1 0 310.419 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COC[C@H]([NH2+][C@@H]1CCc2nnc(C(C)C)n2C1)C1CCOCC1 ZINC000188342093 285411022 /nfs/dbraw/zinc/41/10/22/285411022.db2.gz GVIQNXDXNSOICG-CABCVRRESA-N 1 0 322.453 1.748 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH2+]CCN(C)CCCOC)C12CCOCC2 ZINC000186358673 286281311 /nfs/dbraw/zinc/28/13/11/286281311.db2.gz DPYQTIFZBRLVFI-HZPDHXFCSA-N 1 0 314.470 1.519 10 0 DDAERO [NH3+][C@@H](C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)C1CCOCC1 ZINC000261653451 407570131 /nfs/dbraw/zinc/57/01/31/407570131.db2.gz FGRANTZTHPEKAN-SNVBAGLBSA-N 1 0 319.283 1.498 10 0 DDAERO COC[C@H](C)C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114415170 407570145 /nfs/dbraw/zinc/57/01/45/407570145.db2.gz NHKIDZYVYQJLMH-AWEZNQCLSA-N 1 0 320.437 1.074 10 0 DDAERO Cc1[nH]nc2ncc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc12 ZINC000068224156 406625375 /nfs/dbraw/zinc/62/53/75/406625375.db2.gz JLLDXGSYJLSKFK-CYBMUJFWSA-N 1 0 303.410 1.972 10 0 DDAERO CC1CCC([N@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C2CC2)CC1 ZINC000076746036 406974546 /nfs/dbraw/zinc/97/45/46/406974546.db2.gz STGFYVMIWCGQLQ-SHARSMKWSA-N 1 0 321.465 1.753 10 0 DDAERO Cc1cc(N2CC[NH+](CC3CCCC3)CC2)n2ncnc2n1 ZINC000075826909 406941357 /nfs/dbraw/zinc/94/13/57/406941357.db2.gz WDNZHHJBCVBKGA-UHFFFAOYSA-N 1 0 300.410 1.745 10 0 DDAERO CC[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc3c(c2)CCN3)C1 ZINC000037645105 406992425 /nfs/dbraw/zinc/99/24/25/406992425.db2.gz WSKYZSWXOMUTGZ-GFCCVEGCSA-N 1 0 309.435 1.275 10 0 DDAERO C[C@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)[C@H]1CCCO1 ZINC000053589266 407170813 /nfs/dbraw/zinc/17/08/13/407170813.db2.gz BDLQILWYBYGINS-SWLSCSKDSA-N 1 0 313.419 1.626 10 0 DDAERO O=C1NCC[C@]12C[N@H+](Cc1ccccc1)CCC21OCCO1 ZINC000095627136 407215519 /nfs/dbraw/zinc/21/55/19/407215519.db2.gz QSEYFZVYMMXJOR-INIZCTEOSA-N 1 0 302.374 1.142 10 0 DDAERO C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)N1CCOCC1 ZINC000123543027 407331340 /nfs/dbraw/zinc/33/13/40/407331340.db2.gz FIFDMVZNKXWMAS-CABCVRRESA-N 1 0 315.421 1.639 10 0 DDAERO CCCn1cc(CN2CCCN(C(=O)[C@H]3C[C@@H]3C)CC2)cn1 ZINC000105831406 407355717 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CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)OC[C@H]1CCCO1 ZINC000253548313 407459563 /nfs/dbraw/zinc/45/95/63/407459563.db2.gz FZGNZALYYSLHPC-ZJIFWQFVSA-N 1 0 310.438 1.656 10 0 DDAERO CCn1c(C)nnc1CN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261612011 407551076 /nfs/dbraw/zinc/55/10/76/407551076.db2.gz CBWOHWHFELNSEN-HNNXBMFYSA-N 1 0 303.385 1.892 10 0 DDAERO Cc1cc(C)cc(OC[C@H](O)CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000178631705 407518863 /nfs/dbraw/zinc/51/88/63/407518863.db2.gz YWBSXRNPNLUYGB-IAGOWNOFSA-N 1 0 304.434 1.823 10 0 DDAERO CC(=O)N1CCC(CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000113617821 407519374 /nfs/dbraw/zinc/51/93/74/407519374.db2.gz ZMCIVDZAWKHKBR-XJKSGUPXSA-N 1 0 322.453 1.123 10 0 DDAERO CNC(=O)c1cccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000113932613 407528967 /nfs/dbraw/zinc/52/89/67/407528967.db2.gz WQOVULCFGMGHEH-HNNXBMFYSA-N 1 0 313.405 1.550 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000261757342 407603322 /nfs/dbraw/zinc/60/33/22/407603322.db2.gz PMEAXQJXAIVHMU-ZBFHGGJFSA-N 1 0 314.433 1.638 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CN2CCCC2=O)C12CCOCC2 ZINC000186268307 407626323 /nfs/dbraw/zinc/62/63/23/407626323.db2.gz HPMYXGBXEDJEBP-RRFJBIMHSA-N 1 0 310.438 1.561 10 0 DDAERO CCC[C@@H](C(=O)N1CCC(OC[C@H]2CCCO2)CC1)[NH+](C)C ZINC000152499032 407644326 /nfs/dbraw/zinc/64/43/26/407644326.db2.gz YOEMHLXQQILNAI-CVEARBPZSA-N 1 0 312.454 1.903 10 0 DDAERO CN(Cc1cnn(-c2ccccc2)c1)C(=O)C1([NH3+])CCOCC1 ZINC000261868175 407648536 /nfs/dbraw/zinc/64/85/36/407648536.db2.gz NWRXRASUFOOLAY-UHFFFAOYSA-N 1 0 314.389 1.339 10 0 DDAERO CN1CCO[C@H](CNC(=O)c2cnc(-c3ccccc3)s2)C1 ZINC000171287503 407649308 /nfs/dbraw/zinc/64/93/08/407649308.db2.gz VBNZJDVLRDZSAY-CYBMUJFWSA-N 1 0 317.414 1.871 10 0 DDAERO C=CC(=O)NCc1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000171586768 407711127 /nfs/dbraw/zinc/71/11/27/407711127.db2.gz IPCXWDZBOOXFMU-INIZCTEOSA-N 1 0 313.401 1.409 10 0 DDAERO 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NC(=O)c1c[nH+]ccc1N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186151987 306717574 /nfs/dbraw/zinc/71/75/74/306717574.db2.gz WGBHLOLAWATLAH-AAEUAGOBSA-N 1 0 303.387 1.454 10 0 DDAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)C1 ZINC000332778887 164057815 /nfs/dbraw/zinc/05/78/15/164057815.db2.gz NDFVKJNSOCVJDI-XQLPTFJDSA-N 1 0 322.453 1.169 10 0 DDAERO [NH3+]C1CC(NC(=O)c2sccc2I)C1 ZINC000306199919 409771046 /nfs/dbraw/zinc/77/10/46/409771046.db2.gz JEESDFXSGODGKD-UHFFFAOYSA-N 1 0 322.171 1.572 10 0 DDAERO CC(C)[C@H]([NH3+])[C@H](O)c1ncc(I)s1 ZINC000306542170 409775885 /nfs/dbraw/zinc/77/58/85/409775885.db2.gz YSPNRKIIOGOPEJ-BQBZGAKWSA-N 1 0 312.176 1.764 10 0 DDAERO CN(CCOc1ccccc1Cl)C(=O)C1([NH3+])CCOCC1 ZINC000132163880 196231153 /nfs/dbraw/zinc/23/11/53/196231153.db2.gz KBTUSOSIVQZKJF-UHFFFAOYSA-N 1 0 312.797 1.685 10 0 DDAERO Cc1cc(S(=O)(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)sc1Cl ZINC000643098440 423041916 /nfs/dbraw/zinc/04/19/16/423041916.db2.gz JYKMURREJZRHMX-DTWKUNHWSA-N 1 0 322.839 1.071 10 0 DDAERO O=S(=O)(NC[C@H]1CC[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000131899933 418514523 /nfs/dbraw/zinc/51/45/23/418514523.db2.gz FOJQMPDIIXNYNE-VIFPVBQESA-N 1 0 324.324 1.473 10 0 DDAERO COc1ccc(NC(=O)CC[N@@H+]2CCCNC(=O)[C@H]2C)cc1 ZINC000189282530 418521376 /nfs/dbraw/zinc/52/13/76/418521376.db2.gz MMJNSMXCLTVWND-GFCCVEGCSA-N 1 0 305.378 1.234 10 0 DDAERO C[C@@H](C(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1)[C@H](C)[NH3+] ZINC000192126659 418522729 /nfs/dbraw/zinc/52/27/29/418522729.db2.gz AGEOVWBJIUKLCK-KGLIPLIRSA-N 1 0 321.469 1.266 10 0 DDAERO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CNC(=O)C2)cc1 ZINC000194860429 222186179 /nfs/dbraw/zinc/18/61/79/222186179.db2.gz SXSMVZCBXHCYMH-OAHLLOKOSA-N 1 0 303.406 1.281 10 0 DDAERO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CNC(=O)C1 ZINC000194861170 222186226 /nfs/dbraw/zinc/18/62/26/222186226.db2.gz GWPWEZZQQFOCIQ-HNNXBMFYSA-N 1 0 303.406 1.281 10 0 DDAERO C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC1(O)CCOCC1 ZINC000309973754 418590545 /nfs/dbraw/zinc/59/05/45/418590545.db2.gz PLBCEVZSBQUTHV-ZDUSSCGKSA-N 1 0 316.442 1.811 10 0 DDAERO C[C@@H]1CN(C(=O)COc2cccc(Br)c2)C[C@@H]1[NH3+] ZINC000423943904 420278683 /nfs/dbraw/zinc/27/86/83/420278683.db2.gz GRZLVPDXNXZAEV-SKDRFNHKSA-N 1 0 313.195 1.634 10 0 DDAERO CO[C@@H]1CN(C(=O)c2ccc(Br)o2)[C@](C)(C[NH3+])C1 ZINC000630363171 422050500 /nfs/dbraw/zinc/05/05/00/422050500.db2.gz QTZLZANQUWDANM-UFBFGSQYSA-N 1 0 317.183 1.620 10 0 DDAERO COc1nc(N2C[C@H](C)[C@@H](C[NH3+])C2)ncc1Br ZINC000630554799 422176686 /nfs/dbraw/zinc/17/66/86/422176686.db2.gz SVECYHGSSXOJQK-YUMQZZPRSA-N 1 0 301.188 1.279 10 0 DDAERO C[C@H](NC(=O)[C@@H]1OCC[C@@H]1[NH3+])c1ccc(Br)cc1 ZINC000637956565 422508137 /nfs/dbraw/zinc/50/81/37/422508137.db2.gz XLLNOBNNBADABO-KPXOXKRLSA-N 1 0 313.195 1.743 10 0 DDAERO COC[C@@]1(C(=O)NCCc2ccc(Cl)s2)CCC[NH2+]1 ZINC000643647172 423242642 /nfs/dbraw/zinc/24/26/42/423242642.db2.gz NKXJZHIZBNTZAN-CYBMUJFWSA-N 1 0 302.827 1.829 10 0 DDAERO CNC(=O)c1ccc(CN2C[C@H](OC)C[C@H]2c2ncc[nH]2)cc1 ZINC000643773346 423332439 /nfs/dbraw/zinc/33/24/39/423332439.db2.gz UZQXLEIWOJFALN-CABCVRRESA-N 1 0 314.389 1.731 10 0 DDAERO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(Br)cn2C)C1 ZINC000163314467 278313849 /nfs/dbraw/zinc/31/38/49/278313849.db2.gz PCFBDOIHTWHNPI-RKDXNWHRSA-N 1 0 300.200 1.597 10 0 DDAERO COC(=O)[C@@H]1CC12CCN(C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1)CC2 ZINC000341629905 271147105 /nfs/dbraw/zinc/14/71/05/271147105.db2.gz GNBUBOWPZMUTSA-MCIONIFRSA-N 1 0 323.437 1.454 10 0 DDAERO CC[C@H](C)[NH+]1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC000096063145 273743976 /nfs/dbraw/zinc/74/39/76/273743976.db2.gz TYMUKDHNLBZYTH-ZDUSSCGKSA-N 1 0 304.394 1.473 10 0 DDAERO COc1nc(N2CC[C@H]3[NH2+]CC[C@H]3C2)ncc1Br ZINC000261577458 274168080 /nfs/dbraw/zinc/16/80/80/274168080.db2.gz OJXKOVXZQPEXCQ-WCBMZHEXSA-N 1 0 313.199 1.436 10 0 DDAERO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000261818699 274385211 /nfs/dbraw/zinc/38/52/11/274385211.db2.gz 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CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2NCc2ncnn2C(C)(C)C)C1 ZINC000886082512 708694845 /nfs/dbraw/zinc/69/48/45/708694845.db2.gz JTXREOIFKQONJF-KFWWJZLASA-N 1 0 321.469 1.765 10 0 DDAERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2NCc2ncnn2C(C)(C)C)C1 ZINC000886082513 708695010 /nfs/dbraw/zinc/69/50/10/708695010.db2.gz JTXREOIFKQONJF-ZNMIVQPWSA-N 1 0 321.469 1.765 10 0 DDAERO Cn1nccc1[C@H]1[C@H](C[NH2+][C@H]2CCC23CCC3)OCCN1C ZINC000886085257 708695349 /nfs/dbraw/zinc/69/53/49/708695349.db2.gz IPISWGAFVKTQGW-JYJNAYRXSA-N 1 0 304.438 1.714 10 0 DDAERO CCN1CCO[C@@H](C[NH2+][C@@H]2CCCOCC2)[C@@H]1c1nccn1C ZINC000886095308 708697299 /nfs/dbraw/zinc/69/72/99/708697299.db2.gz REFFZSNUEODABT-OWCLPIDISA-N 1 0 322.453 1.341 10 0 DDAERO Cc1noc(C[C@]2(O)CCC[N@H+](Cc3nc(C)ccc3O)C2)n1 ZINC000886096978 708697656 /nfs/dbraw/zinc/69/76/56/708697656.db2.gz QHYYWDYIVACYOG-MRXNPFEDSA-N 1 0 318.377 1.357 10 0 DDAERO COc1cc2c(nn1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[N@@H+]31)C2 ZINC000901094139 709922280 /nfs/dbraw/zinc/92/22/80/709922280.db2.gz IIMOCCQDGRMPBM-HIFRSBDPSA-N 1 0 316.405 1.387 10 0 DDAERO CCOc1ccccc1[C@@H]([NH3+])CSCCS(C)(=O)=O ZINC000081768648 192322671 /nfs/dbraw/zinc/32/26/71/192322671.db2.gz HGQWJBVWFVZZPR-LBPRGKRZSA-N 1 0 303.449 1.863 10 0 DDAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000248646438 282096149 /nfs/dbraw/zinc/09/61/49/282096149.db2.gz HJBIJBOJNFMWTD-ZIAGYGMSSA-N 1 0 301.427 1.828 10 0 DDAERO C[NH2+][C@@H]1c2ccccc2OC[C@H]1SCCS(C)(=O)=O ZINC000081768805 192323536 /nfs/dbraw/zinc/32/35/36/192323536.db2.gz WFEJZTBVLYTZQM-CHWSQXEVSA-N 1 0 301.433 1.486 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](CO)Cc2ccccc2C)C1 ZINC000248837058 282110657 /nfs/dbraw/zinc/11/06/57/282110657.db2.gz MPQPYDRYYJCPCL-IAGOWNOFSA-N 1 0 319.449 1.682 10 0 DDAERO C[NH2+][C@H]1CCC2(C[C@H]1Sc1nnc(C)s1)OCCO2 ZINC000081873908 192332687 /nfs/dbraw/zinc/33/26/87/192332687.db2.gz MMCDJZBMZUWMBJ-VHSXEESVSA-N 1 0 301.437 1.822 10 0 DDAERO COc1ccc(C)cc1[C@H](O)C[NH2+][C@H](C)CS(C)(=O)=O ZINC000081902959 192337143 /nfs/dbraw/zinc/33/71/43/192337143.db2.gz PCZUPBHOKKNGKH-DGCLKSJQSA-N 1 0 301.408 1.060 10 0 DDAERO CC[NH2+][C@H]1CCOC[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000081920179 192339289 /nfs/dbraw/zinc/33/92/89/192339289.db2.gz FQWKBFHJJAGQFR-QWHCGFSZSA-N 1 0 303.811 1.881 10 0 DDAERO O=C(C[C@@H]1CCC[NH2+]1)N1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000162937829 197601341 /nfs/dbraw/zinc/60/13/41/197601341.db2.gz CFLCOECHOQLMKK-BFHYXJOUSA-N 1 0 324.446 1.541 10 0 DDAERO CCC[NH2+][C@@H](CS(=O)(=O)CCOC)c1ccc(OC)cc1 ZINC000081944171 192345010 /nfs/dbraw/zinc/34/50/10/192345010.db2.gz WEIOLKSVAPJOQW-HNNXBMFYSA-N 1 0 315.435 1.797 10 0 DDAERO COCCOCCCNC(=O)CC[C@H](CC[NH3+])C(C)(C)C ZINC000079292143 185163840 /nfs/dbraw/zinc/16/38/40/185163840.db2.gz MZENLRSWMREXPB-CQSZACIVSA-N 1 0 302.459 1.947 10 0 DDAERO CCC[C@H](C[NH3+])NS(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000087404406 185223899 /nfs/dbraw/zinc/22/38/99/185223899.db2.gz GBVSQSFCOVRJND-SECBINFHSA-N 1 0 320.386 1.249 10 0 DDAERO CC(=O)Nc1ccc(C)c(S(=O)(=O)N[C@@H](C[NH3+])C(C)C)c1 ZINC000087404626 185223920 /nfs/dbraw/zinc/22/39/20/185223920.db2.gz PROQXVGXNNBIAG-ZDUSSCGKSA-N 1 0 313.423 1.215 10 0 DDAERO CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H](C[NH3+])C(C)C)c1 ZINC000087516266 185227390 /nfs/dbraw/zinc/22/73/90/185227390.db2.gz YYXXAVXJLMWTPC-GFCCVEGCSA-N 1 0 313.423 1.073 10 0 DDAERO CCc1cc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)[nH]n1 ZINC000328616839 529517582 /nfs/dbraw/zinc/51/75/82/529517582.db2.gz CDDIQAJOZJNUBK-BBRMVZONSA-N 1 0 313.405 1.790 10 0 DDAERO CCC(C)(C)[C@@H]1CC[C@H]([NH2+]C)[C@H](S(=O)(=O)CC(=O)OC)C1 ZINC000081976514 192347898 /nfs/dbraw/zinc/34/78/98/192347898.db2.gz OJPZWNRPIUWJMJ-FRRDWIJNSA-N 1 0 319.467 1.767 10 0 DDAERO CO[C@@H]1CCC[C@@H](Oc2nc(NN)[nH+]cc2Br)C1 ZINC000087890041 185234591 /nfs/dbraw/zinc/23/45/91/185234591.db2.gz NPGFRTVDHVZYHK-HTQZYQBOSA-N 1 0 317.187 1.861 10 0 DDAERO NNc1nc(-n2cnc3ccccc32)c(Br)c[nH+]1 ZINC000087867180 185233805 /nfs/dbraw/zinc/23/38/05/185233805.db2.gz PWUFSOBIHIFENW-UHFFFAOYSA-N 1 0 305.139 1.864 10 0 DDAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)[C@H]1COc2ccccc2O1 ZINC000087859468 185233877 /nfs/dbraw/zinc/23/38/77/185233877.db2.gz XHDJRAKJXIJEQF-IUODEOHRSA-N 1 0 313.419 1.629 10 0 DDAERO CC(C)CCOCCNc1nc(NN)[nH+]cc1Br ZINC000087868409 185234158 /nfs/dbraw/zinc/23/41/58/185234158.db2.gz FZULXDMQGYPNLN-UHFFFAOYSA-N 1 0 318.219 1.999 10 0 DDAERO Cc1nn(-c2nc(NN)[nH+]cc2Br)cc1Cl ZINC000087867817 185234234 /nfs/dbraw/zinc/23/42/34/185234234.db2.gz MWSZYQAZCCIAIS-UHFFFAOYSA-N 1 0 303.551 1.672 10 0 DDAERO CCO[C@H](C[NH3+])C[S@](=O)c1ccc(Br)cc1 ZINC000088144587 185240678 /nfs/dbraw/zinc/24/06/78/185240678.db2.gz COBAFQVBAUTUPM-QLJPJBMISA-N 1 0 306.225 1.921 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ncccc3F)C2)C1 ZINC000154730015 282198394 /nfs/dbraw/zinc/19/83/94/282198394.db2.gz PMHLTUZPGRADTP-QWHCGFSZSA-N 1 0 321.400 1.145 10 0 DDAERO CCCN(CCC)S(=O)(=O)N1CC[NH2+]CC12CCCCC2 ZINC000088396160 185248570 /nfs/dbraw/zinc/24/85/70/185248570.db2.gz LAJULJMLIGWJAY-UHFFFAOYSA-N 1 0 317.499 1.961 10 0 DDAERO CC[C@H](C(N)=S)S(=O)(=O)NCCCC[N@H+](C)C(C)C ZINC000088489138 185253613 /nfs/dbraw/zinc/25/36/13/185253613.db2.gz QFJQEJVQVZWJJM-LLVKDONJSA-N 1 0 309.501 1.091 10 0 DDAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)N[C@H]2CCOC2)C1 ZINC000251853239 282205223 /nfs/dbraw/zinc/20/52/23/282205223.db2.gz QOSZUHZSANSIAS-HOTGVXAUSA-N 1 0 318.421 1.334 10 0 DDAERO COC[C@@H]1CN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)C[C@H](C)O1 ZINC000252013788 282208038 /nfs/dbraw/zinc/20/80/38/282208038.db2.gz XXWKLKKBXUSOMH-ZNMIVQPWSA-N 1 0 315.458 1.408 10 0 DDAERO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@@H]2CCCO2)cc1 ZINC000248561627 539272109 /nfs/dbraw/zinc/27/21/09/539272109.db2.gz CRNQOZDYNARXOA-MJEQTWJJSA-N 1 0 322.405 1.542 10 0 DDAERO CC[NH2+][C@@H]1c2ccccc2C[C@@H]1S(=O)(=O)CC(=O)OCC ZINC000081978021 192349478 /nfs/dbraw/zinc/34/94/78/192349478.db2.gz PFNMAQRYAMYXNL-DZGCQCFKSA-N 1 0 311.403 1.240 10 0 DDAERO [NH3+][C@H](CS(=O)(=O)C1CCCC1)c1ccc2c(c1)OCCO2 ZINC000081988793 192351376 /nfs/dbraw/zinc/35/13/76/192351376.db2.gz HIUCGUQLPLIBKD-CYBMUJFWSA-N 1 0 311.403 1.815 10 0 DDAERO Cc1cn2c(C[NH2+][C@H]3CCC(=O)N(C)C3=O)c(C)nc2s1 ZINC000090023868 185278593 /nfs/dbraw/zinc/27/85/93/185278593.db2.gz VKDAFSIJTIFEHL-JTQLQIEISA-N 1 0 306.391 1.250 10 0 DDAERO COc1ccc([C@H](C)[NH3+])cc1C[S@](=O)CCS(C)(=O)=O ZINC000081992028 192352263 /nfs/dbraw/zinc/35/22/63/192352263.db2.gz JNOBYNRQJLASJZ-OVWNDWIMSA-N 1 0 319.448 1.008 10 0 DDAERO Cc1ccc([C@@H]([NH3+])C[S@@](=O)CCS(C)(=O)=O)cc1C ZINC000081991972 192352288 /nfs/dbraw/zinc/35/22/88/192352288.db2.gz DNRQIXMHYQIUJZ-SCLBCKFNSA-N 1 0 303.449 1.097 10 0 DDAERO OC[C@H](O)C[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000090282742 185289236 /nfs/dbraw/zinc/28/92/36/185289236.db2.gz BLSUXKNWRALEOA-KGPNIALWSA-N 1 0 300.196 1.638 10 0 DDAERO CC[C@H]([NH3+])CSCCOc1ccc(S(N)(=O)=O)cc1 ZINC000090357172 185292387 /nfs/dbraw/zinc/29/23/87/185292387.db2.gz JRRAEDPCGVGZRD-JTQLQIEISA-N 1 0 304.437 1.183 10 0 DDAERO C[C@@H](CC[NH3+])SCCOc1ccc(S(N)(=O)=O)cc1 ZINC000090355044 185292452 /nfs/dbraw/zinc/29/24/52/185292452.db2.gz HNMQIDXLZZQXDE-JTQLQIEISA-N 1 0 304.437 1.183 10 0 DDAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cccc(Cl)c1N(C)C ZINC000090489044 185298745 /nfs/dbraw/zinc/29/87/45/185298745.db2.gz MSRJROYRJIMSOU-ZWNOBZJWSA-N 1 0 311.813 1.969 10 0 DDAERO COc1ccc(NC(=O)[C@H]2COC[C@H]2[NH3+])cc1OC(F)F ZINC000090381105 185293425 /nfs/dbraw/zinc/29/34/25/185293425.db2.gz COEMBSNDPLTXNT-DTWKUNHWSA-N 1 0 302.277 1.209 10 0 DDAERO [NH3+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(F)cc1Br ZINC000090379127 185293494 /nfs/dbraw/zinc/29/34/94/185293494.db2.gz XHRYKSKKXOGCLM-IONNQARKSA-N 1 0 303.131 1.500 10 0 DDAERO COc1ccc(NC(=O)[C@@H]2COC[C@@H]2[NH3+])cc1OC(F)F ZINC000090381102 185293520 /nfs/dbraw/zinc/29/35/20/185293520.db2.gz COEMBSNDPLTXNT-BDAKNGLRSA-N 1 0 302.277 1.209 10 0 DDAERO C[C@@]1(C(=O)Nc2ccc(F)cc2Br)COC[C@@H]1[NH3+] ZINC000090582227 185304933 /nfs/dbraw/zinc/30/49/33/185304933.db2.gz WRNCVLFTRDODTE-CMPLNLGQSA-N 1 0 317.158 1.891 10 0 DDAERO C[C@@]1(C(=O)Nc2ccc(Br)cn2)COC[C@@H]1[NH3+] ZINC000090582112 185304973 /nfs/dbraw/zinc/30/49/73/185304973.db2.gz ABCLGAUVFNRGDY-GZMMTYOYSA-N 1 0 300.156 1.146 10 0 DDAERO CNC(=O)c1cc(NC(=O)[C@]2(C)COC[C@H]2[NH3+])ccc1Cl ZINC000090590017 185305476 /nfs/dbraw/zinc/30/54/76/185305476.db2.gz BNEGFWKGENOFEB-BXUZGUMPSA-N 1 0 311.769 1.002 10 0 DDAERO C[C@]1(C(=O)NCc2ccc(C(F)(F)F)cc2)COC[C@@H]1[NH3+] ZINC000090603542 185305996 /nfs/dbraw/zinc/30/59/96/185305996.db2.gz ZNITVIZZQVPSDC-AAEUAGOBSA-N 1 0 302.296 1.685 10 0 DDAERO Cc1noc(C)c1[C@H](C)NS(=O)(=O)c1ccsc1C[NH3+] ZINC000092343994 185313284 /nfs/dbraw/zinc/31/32/84/185313284.db2.gz PDKFDXOAGIRSGD-QMMMGPOBSA-N 1 0 315.420 1.851 10 0 DDAERO CC(C)[C@H](CO)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000092392123 185315632 /nfs/dbraw/zinc/31/56/32/185315632.db2.gz BZMHKIGZBIBNIT-OLZOCXBDSA-N 1 0 301.383 1.651 10 0 DDAERO COCC[NH2+]CC(=O)Nc1cc(Cl)ccc1C(=O)N(C)C ZINC000092495259 185322383 /nfs/dbraw/zinc/32/23/83/185322383.db2.gz HYROMHBXWUMSLR-UHFFFAOYSA-N 1 0 313.785 1.216 10 0 DDAERO O=C(/C=C\c1cnc2ccccc2n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000255161429 282238355 /nfs/dbraw/zinc/23/83/55/282238355.db2.gz OQLGJVPEOHZUIA-LZNQSLFOSA-N 1 0 308.385 1.950 10 0 DDAERO CCC[C@H](C(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1)[NH+](C)C ZINC000154753053 290678485 /nfs/dbraw/zinc/67/84/85/290678485.db2.gz RLLCVPINDIQKLF-JKSUJKDBSA-N 1 0 322.453 1.458 10 0 DDAERO Cc1cc(N)cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1C ZINC000092621908 185329971 /nfs/dbraw/zinc/32/99/71/185329971.db2.gz KMAYFDIKLGNDIC-AWEZNQCLSA-N 1 0 311.451 1.600 10 0 DDAERO C[NH2+][C@H]1c2cc(OC)ccc2C[C@H]1SCCS(C)(=O)=O ZINC000092911603 185348619 /nfs/dbraw/zinc/34/86/19/185348619.db2.gz VGOGYOHEIKZHPA-KGLIPLIRSA-N 1 0 315.460 1.658 10 0 DDAERO CCn1cnc(S(=O)(=O)N(C)c2ccc(C(N)=[NH2+])cc2)c1 ZINC000092910993 185348710 /nfs/dbraw/zinc/34/87/10/185348710.db2.gz 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ZINC000111715160 185629677 /nfs/dbraw/zinc/62/96/77/185629677.db2.gz RQJUOYOWPBMFTM-SMDDNHRTSA-N 1 0 300.399 1.977 10 0 DDAERO CC[NH2+][C@H](C)[C@@H]1CCCCN1S(=O)(=O)c1c(C)n[nH]c1C ZINC000111715338 185629721 /nfs/dbraw/zinc/62/97/21/185629721.db2.gz PGAGGMXRCAOJKX-MFKMUULPSA-N 1 0 314.455 1.568 10 0 DDAERO [NH3+]CCN1CCc2ccccc2[C@H]1S(=O)(=O)c1ccccc1 ZINC000616678162 362777368 /nfs/dbraw/zinc/77/73/68/362777368.db2.gz FLYQPALXEQWMJE-QGZVFWFLSA-N 1 0 316.426 1.976 10 0 DDAERO COc1ccc(-c2cc3c(N4CC[NH2+]CC4)nccn3n2)cc1 ZINC000070459149 190897793 /nfs/dbraw/zinc/89/77/93/190897793.db2.gz CKFSVEMDLKQKPI-UHFFFAOYSA-N 1 0 309.373 1.815 10 0 DDAERO CCC[NH2+][C@@](C)(CO)COc1ccc(S(C)(=O)=O)cc1 ZINC000070519691 190903766 /nfs/dbraw/zinc/90/37/66/190903766.db2.gz VXWLLAXOZVHMHN-AWEZNQCLSA-N 1 0 301.408 1.220 10 0 DDAERO C[C@@H]([NH3+])CCCC[S@@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084055467 192397437 /nfs/dbraw/zinc/39/74/37/192397437.db2.gz DVQAJYVLOWSECY-ZMZPIMSZSA-N 1 0 303.449 1.715 10 0 DDAERO 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1.842 10 0 DDAERO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc2c(c1)CCN2 ZINC000041681975 183217224 /nfs/dbraw/zinc/21/72/24/183217224.db2.gz QVMVGUSHHRSCAN-GFCCVEGCSA-N 1 0 311.451 1.663 10 0 DDAERO CCN(C[C@H](C)C[NH3+])c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000042442362 183271035 /nfs/dbraw/zinc/27/10/35/183271035.db2.gz PAFHYYRMKRHBGX-GFCCVEGCSA-N 1 0 311.451 1.548 10 0 DDAERO [NH3+]Cc1ccccc1S(=O)(=O)N(CCO)C1CCCCC1 ZINC000042514373 183278437 /nfs/dbraw/zinc/27/84/37/183278437.db2.gz TYRCPBKBVWEHPH-UHFFFAOYSA-N 1 0 312.435 1.461 10 0 DDAERO CCC(CC)N(CCO)S(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000042526571 183280413 /nfs/dbraw/zinc/28/04/13/183280413.db2.gz JAQMCCOJZWSJIA-GFCCVEGCSA-N 1 0 314.451 1.878 10 0 DDAERO CCNC(=O)CN(CC)c1cc(Br)ccc1C[NH3+] ZINC000042370515 183260061 /nfs/dbraw/zinc/26/00/61/183260061.db2.gz MQIDEKRRXIADFO-UHFFFAOYSA-N 1 0 314.227 1.870 10 0 DDAERO CC[NH+]1CCC(N(C)c2nnc(C)c(C)c2C(N)=S)CC1 ZINC000042681609 183296538 /nfs/dbraw/zinc/29/65/38/183296538.db2.gz 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Cc1nc(C)n(C[C@H]2CCC[N@H+](CC(=O)NC(C)(C)C)C2)n1 ZINC000105884714 194156597 /nfs/dbraw/zinc/15/65/97/194156597.db2.gz RRMIQHLZKJHPCC-AWEZNQCLSA-N 1 0 307.442 1.522 10 0 DDAERO CCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000105885185 194156965 /nfs/dbraw/zinc/15/69/65/194156965.db2.gz ZASMSWAVXAFDQL-CJNGLKHVSA-N 1 0 321.469 1.912 10 0 DDAERO CCCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105883910 194157553 /nfs/dbraw/zinc/15/75/53/194157553.db2.gz RDLORTKGUPYTCR-GJZGRUSLSA-N 1 0 307.442 1.685 10 0 DDAERO CCOCCN1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000105902769 194167262 /nfs/dbraw/zinc/16/72/62/194167262.db2.gz PPLRLXKYEPALNW-SFHVURJKSA-N 1 0 322.449 1.218 10 0 DDAERO COC(=O)CC[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000105918181 194168447 /nfs/dbraw/zinc/16/84/47/194168447.db2.gz BKQJMXCJACDULE-ZDUSSCGKSA-N 1 0 312.435 1.616 10 0 DDAERO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CN(C3CC3)CCO2)o1 ZINC000106379949 194203528 /nfs/dbraw/zinc/20/35/28/194203528.db2.gz 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/nfs/dbraw/zinc/26/65/71/194266571.db2.gz OKHIWLNPZHHUOO-CQSZACIVSA-N 1 0 309.483 1.264 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000109460973 194265575 /nfs/dbraw/zinc/26/55/75/194265575.db2.gz JAWUIKRQOYYPKG-CQSZACIVSA-N 1 0 305.447 1.818 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN(C(=O)c2ccoc2C)CC1 ZINC000109463237 194265841 /nfs/dbraw/zinc/26/58/41/194265841.db2.gz QXSLZBCKFRSGFO-CYBMUJFWSA-N 1 0 309.435 1.801 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN(CCc2ccccn2)CC1 ZINC000109470173 194266678 /nfs/dbraw/zinc/26/66/78/194266678.db2.gz UWDCNMHRUSTURV-OAHLLOKOSA-N 1 0 306.479 1.697 10 0 DDAERO CCC[NH2+][C@@H]1CCCC[C@@H]1c1nc(CS(C)(=O)=O)no1 ZINC000109512641 194270085 /nfs/dbraw/zinc/27/00/85/194270085.db2.gz DCABARLAXCAYDC-WDEREUQCSA-N 1 0 301.412 1.640 10 0 DDAERO Brc1ccccc1-c1noc(CN2CC[NH2+]CC2)n1 ZINC000051640504 183833719 /nfs/dbraw/zinc/83/37/19/183833719.db2.gz LFKYVXQQNUCBKG-UHFFFAOYSA-N 1 0 323.194 1.904 10 0 DDAERO CCC[NH2+][C@@](C)(CCCCSc1nnc(C)n1C)C(N)=O 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CN(C)S(=O)(=O)c1cccc(CN(C)[C@H]2CCC[NH2+]C2)c1 ZINC000110928735 194371584 /nfs/dbraw/zinc/37/15/84/194371584.db2.gz RCGGGSZMKCANLQ-AWEZNQCLSA-N 1 0 311.451 1.121 10 0 DDAERO O=C1CC[C@H]([NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)CN1 ZINC000111021033 194384065 /nfs/dbraw/zinc/38/40/65/194384065.db2.gz SPXHHAUPXFOQBJ-NWDGAFQWSA-N 1 0 302.296 1.607 10 0 DDAERO CNC(=O)C1CC[NH+]([C@H](CC(N)=S)c2ccccc2)CC1 ZINC000055025067 183958455 /nfs/dbraw/zinc/95/84/55/183958455.db2.gz ZGJICSLUBBTDQE-CQSZACIVSA-N 1 0 305.447 1.862 10 0 DDAERO CC(C)[NH2+]C[C@](C)(O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000055033134 183958982 /nfs/dbraw/zinc/95/89/82/183958982.db2.gz KWSIVKOHHZXFOI-AWEZNQCLSA-N 1 0 300.424 1.142 10 0 DDAERO C[C@@H](O)c1cccc(S(=O)(=O)N(C)CCC[NH+](C)C)c1 ZINC000111146741 194394946 /nfs/dbraw/zinc/39/49/46/194394946.db2.gz MRHFPVUKVLSVCO-GFCCVEGCSA-N 1 0 300.424 1.312 10 0 DDAERO COCCCN(CCOC)C(=O)[C@@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055161862 183967552 /nfs/dbraw/zinc/96/75/52/183967552.db2.gz QPDHSZDAPHIRGF-LSDHHAIUSA-N 1 0 300.443 1.653 10 0 DDAERO CC[NH2+]C[C@H](C)C(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000061232107 184166627 /nfs/dbraw/zinc/16/66/27/184166627.db2.gz WNUZFTZOFZIRGS-VIFPVBQESA-N 1 0 308.773 1.500 10 0 DDAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000061231292 184166873 /nfs/dbraw/zinc/16/68/73/184166873.db2.gz QGSHOHCJRXRGTR-VIFPVBQESA-N 1 0 320.361 1.867 10 0 DDAERO CCC(CC)N(CC(F)(F)F)C(=O)CN1CCC[NH2+]CC1 ZINC000061272348 184167048 /nfs/dbraw/zinc/16/70/48/184167048.db2.gz KXPKMQQMJJAFPB-UHFFFAOYSA-N 1 0 309.376 1.861 10 0 DDAERO Cc1cnc(CNS(=O)(=O)c2ccc([C@H](C)[NH3+])cc2)cn1 ZINC000061323089 184168438 /nfs/dbraw/zinc/16/84/38/184168438.db2.gz YUUXSDRKYFYMIR-NSHDSACASA-N 1 0 306.391 1.283 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CNc1nc(Cl)nc(-n2cccn2)n1 ZINC000061536815 184172861 /nfs/dbraw/zinc/17/28/61/184172861.db2.gz XZXJJRIFCGZOSG-SNVBAGLBSA-N 1 0 307.789 1.607 10 0 DDAERO COCC[N@H+](C)CCNc1nc(Cl)nc(OC(C)C)n1 ZINC000061542847 184174218 /nfs/dbraw/zinc/17/42/18/184174218.db2.gz WUTYLVLBBSQUDY-UHFFFAOYSA-N 1 0 303.794 1.302 10 0 DDAERO CCn1c(S[C@@H](c2cccc(OC)c2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594264 184176104 /nfs/dbraw/zinc/17/61/04/184176104.db2.gz IJQAVJZEEPNRAU-JOYOIKCWSA-N 1 0 308.407 1.781 10 0 DDAERO CCCn1c(S[C@@H](c2ccncc2)[C@H]([NH3+])CC)n[nH]c1=O ZINC000061594811 184176435 /nfs/dbraw/zinc/17/64/35/184176435.db2.gz IDZSTECJPZRHEP-NEPJUHHUSA-N 1 0 307.423 1.947 10 0 DDAERO CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C(N)=S)c1ccccc1 ZINC000061616748 184178982 /nfs/dbraw/zinc/17/89/82/184178982.db2.gz CCGBIQALIGFFFS-JSGCOSHPSA-N 1 0 307.463 1.903 10 0 DDAERO C[C@@H]1CC[C@@H](CNC(=O)c2ccc(S(C)(=O)=O)cc2)C[NH2+]1 ZINC000062036691 184202730 /nfs/dbraw/zinc/20/27/30/184202730.db2.gz MSMQVRDTIIQCHP-VXGBXAGGSA-N 1 0 310.419 1.208 10 0 DDAERO Cc1ccc(CNS(=O)(=O)c2ccc([C@@H](C)[NH3+])cc2)cn1 ZINC000062037812 184203129 /nfs/dbraw/zinc/20/31/29/184203129.db2.gz UJJJJLYTBJRDRQ-GFCCVEGCSA-N 1 0 305.403 1.888 10 0 DDAERO CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC[NH+](C)C ZINC000062066272 184203891 /nfs/dbraw/zinc/20/38/91/184203891.db2.gz YGTGKULZKNCPHO-CHWSQXEVSA-N 1 0 315.458 1.994 10 0 DDAERO CCOC(=O)[C@H](CC[N@H+](CCOC)CC(C)C)NC1CC1 ZINC000062458184 184237758 /nfs/dbraw/zinc/23/77/58/184237758.db2.gz NQKQRNDONJENMV-HNNXBMFYSA-N 1 0 300.443 1.665 10 0 DDAERO O=S1(=O)CC[C@@H]([NH2+][C@H]2CCC[C@H](OCC(F)(F)F)C2)C1 ZINC000062962263 184262224 /nfs/dbraw/zinc/26/22/24/184262224.db2.gz JOISYYJFJRWBGU-AXFHLTTASA-N 1 0 315.357 1.653 10 0 DDAERO COCC[NH2+]Cc1cc(Cl)ccc1OCCC(=O)N(C)C ZINC000062731097 184251010 /nfs/dbraw/zinc/25/10/10/184251010.db2.gz UTCDLRAZMZVVIX-UHFFFAOYSA-N 1 0 314.813 1.933 10 0 DDAERO COCC[NH2+]Cc1cc(Br)ccc1OC[C@H](C)O ZINC000062730109 184251261 /nfs/dbraw/zinc/25/12/61/184251261.db2.gz HJBKPQLTMWFVHI-JTQLQIEISA-N 1 0 318.211 1.945 10 0 DDAERO CCNC(=O)COc1ccc(C[NH2+]CCOC)cc1Cl ZINC000062730459 184251611 /nfs/dbraw/zinc/25/16/11/184251611.db2.gz OMIGFBRLCJEHNK-UHFFFAOYSA-N 1 0 300.786 1.591 10 0 DDAERO COCC[NH2+]Cc1c(-n2nc(C)nc2C)nc2sccn12 ZINC000062738794 184252230 /nfs/dbraw/zinc/25/22/30/184252230.db2.gz WIDSDICKGXFTAT-UHFFFAOYSA-N 1 0 306.395 1.329 10 0 DDAERO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(F)c(N)c2)C1 ZINC000062975648 184263384 /nfs/dbraw/zinc/26/33/84/184263384.db2.gz VIIUBRLJAHPNLO-NSHDSACASA-N 1 0 315.414 1.513 10 0 DDAERO C[NH2+][C@H](C)c1sc(N2CC[C@@H](N3CCOCC3)C2)nc1C ZINC000062975222 184263561 /nfs/dbraw/zinc/26/35/61/184263561.db2.gz RULPOTCCGKDFPL-DGCLKSJQSA-N 1 0 310.467 1.643 10 0 DDAERO CC[C@@H]([NH3+])[C@@H](c1cccs1)N1CC[C@H](N2CCOCC2)C1 ZINC000062977982 184264016 /nfs/dbraw/zinc/26/40/16/184264016.db2.gz PWAAPHFQUZRHKU-LZWOXQAQSA-N 1 0 309.479 1.933 10 0 DDAERO NNc1ccc(Cl)c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000062985133 184265117 /nfs/dbraw/zinc/26/51/17/184265117.db2.gz ZZBVSGJHZJWWJP-SNVBAGLBSA-N 1 0 309.801 1.331 10 0 DDAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)N1CCOc2ccccc2C1 ZINC000063013971 184266623 /nfs/dbraw/zinc/26/66/23/184266623.db2.gz 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/nfs/dbraw/zinc/51/53/00/184515300.db2.gz HZSGAVGYGMIFGR-SMDDNHRTSA-N 1 0 317.476 1.712 10 0 DDAERO CC[C@H](C[NH3+])N1CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000112763890 194520452 /nfs/dbraw/zinc/52/04/52/194520452.db2.gz LCIGWXWKGJMAPE-LLVKDONJSA-N 1 0 302.344 1.960 10 0 DDAERO COC(=O)C[C@H](NC(=O)[C@@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000158253018 197257221 /nfs/dbraw/zinc/25/72/21/197257221.db2.gz XNYWYKYFTXPLTA-KCJUWKMLSA-N 1 0 318.295 1.773 10 0 DDAERO CC(C)[C@H](O)CC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000155639786 197074592 /nfs/dbraw/zinc/07/45/92/197074592.db2.gz RDYNSCBOBGULHZ-CQSZACIVSA-N 1 0 309.410 1.045 10 0 DDAERO COC(=O)c1[nH]c(C)c(C(=O)N2CCN3CCCC[C@H]3C2)c1C ZINC000155445523 197055478 /nfs/dbraw/zinc/05/54/78/197055478.db2.gz WKDVCONKFRWVBI-ZDUSSCGKSA-N 1 0 319.405 1.728 10 0 DDAERO CNC(=O)CCC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000155262969 197037507 /nfs/dbraw/zinc/03/75/07/197037507.db2.gz CVKLWMQACJVBKI-KBPBESRZSA-N 1 0 305.422 1.710 10 0 DDAERO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@H]2Cc2cnn(C)c2)cc1 ZINC000248146576 257108642 /nfs/dbraw/zinc/10/86/42/257108642.db2.gz SCIRIHXLAPNEKC-IAGOWNOFSA-N 1 0 301.390 1.607 10 0 DDAERO CNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[N@H+](Cc2ccc(OC)cc2)C1 ZINC000247921431 257114305 /nfs/dbraw/zinc/11/43/05/257114305.db2.gz XRMKBIJWVVWZLQ-KBMXLJTQSA-N 1 0 304.390 1.421 10 0 DDAERO O=C(c1cnccn1)N1CC[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC000247888649 257115579 /nfs/dbraw/zinc/11/55/79/257115579.db2.gz XPYYXEASPHQJLH-HOTGVXAUSA-N 1 0 323.400 1.466 10 0 DDAERO Cn1cc(C[C@@H]2[C@@H]([NH+](C)C)CCN2c2ncc(F)cn2)cn1 ZINC000503715832 257209434 /nfs/dbraw/zinc/20/94/34/257209434.db2.gz BHELCZQHIIGOPY-UONOGXRCSA-N 1 0 304.373 1.101 10 0 DDAERO CC[C@H]1CN(Cc2c(C)nn(C)c2OC)CC[N@@H+]1CCOC ZINC000120950077 195269440 /nfs/dbraw/zinc/26/94/40/195269440.db2.gz HUEWTZMFMQXAJD-AWEZNQCLSA-N 1 0 310.442 1.280 10 0 DDAERO CCn1cc(CN2CCC[N@H+](Cc3cccn3C)CC2)cn1 ZINC000121649026 195323845 /nfs/dbraw/zinc/32/38/45/195323845.db2.gz YLCRPSOVQBNYDP-UHFFFAOYSA-N 1 0 301.438 1.949 10 0 DDAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCC[C@H](O)C1 ZINC000122311733 195432571 /nfs/dbraw/zinc/43/25/71/195432571.db2.gz UKXJCNWMRYZJGO-IXDOHACOSA-N 1 0 304.434 1.827 10 0 DDAERO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCCO2)cc1 ZINC000333707750 286378685 /nfs/dbraw/zinc/37/86/85/286378685.db2.gz RUAXCNZWFGNDDO-CABCVRRESA-N 1 0 305.378 1.488 10 0 DDAERO CNC(=O)[C@H](NC(=O)Cn1c(C)nc2ccccc21)C(C)C ZINC000178727488 407566534 /nfs/dbraw/zinc/56/65/34/407566534.db2.gz CHZYMMPIEAQBNQ-OAHLLOKOSA-N 1 0 302.378 1.232 10 0 DDAERO CCO[C@H]1C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C12CCOCC2 ZINC000186286966 286489407 /nfs/dbraw/zinc/48/94/07/286489407.db2.gz GGASMAXWCRFTMH-MNOVXSKESA-N 1 0 324.343 1.229 10 0 DDAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1OC ZINC000069137274 406683662 /nfs/dbraw/zinc/68/36/62/406683662.db2.gz YVHZKFGOEZWPJQ-WCQYABFASA-N 1 0 313.419 1.932 10 0 DDAERO COc1cccc(-c2cc3c(N4CC[C@H]([NH3+])C4)nccn3n2)c1 ZINC000070459316 406817879 /nfs/dbraw/zinc/81/78/79/406817879.db2.gz QLRKBJGLDCVLHU-ZDUSSCGKSA-N 1 0 309.373 1.942 10 0 DDAERO O=c1[nH]c(CC2CC[NH2+]CC2)nc2c1nnn2Cc1ccccc1 ZINC000070461054 406818843 /nfs/dbraw/zinc/81/88/43/406818843.db2.gz POOSOOZTSXRHJY-UHFFFAOYSA-N 1 0 324.388 1.517 10 0 DDAERO O[C@@H](C[NH+]1CCN(c2ccccn2)CC1)c1ccc2c(c1)CCN2 ZINC000013366716 406861341 /nfs/dbraw/zinc/86/13/41/406861341.db2.gz MJNCZKZSTFPHTM-SFHVURJKSA-N 1 0 324.428 1.905 10 0 DDAERO NC(=O)NC(=O)CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000076106720 406956273 /nfs/dbraw/zinc/95/62/73/406956273.db2.gz IZNAWIQUWXDIEO-UONOGXRCSA-N 1 0 305.378 1.160 10 0 DDAERO CC1CC[NH+](CCCNC(=O)NC[C@H]2CCCC[C@H]2O)CC1 ZINC000077756365 407006363 /nfs/dbraw/zinc/00/63/63/407006363.db2.gz KKYVBBQZQQINLI-HZPDHXFCSA-N 1 0 311.470 1.959 10 0 DDAERO O=C(c1cncc(Br)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000049515918 407121506 /nfs/dbraw/zinc/12/15/06/407121506.db2.gz LDKSWERYBAUTHY-LBPRGKRZSA-N 1 0 310.195 1.764 10 0 DDAERO C[NH+](C)C[C@@H](NC(=O)NCCNC(=O)C1CC1)c1ccccc1 ZINC000047995364 407086315 /nfs/dbraw/zinc/08/63/15/407086315.db2.gz WOGVTFMMBCFJAK-OAHLLOKOSA-N 1 0 318.421 1.115 10 0 DDAERO C[NH2+][C@H]1CCCN(S(=O)(=O)c2nc3ccccc3s2)C1 ZINC000095071486 407206209 /nfs/dbraw/zinc/20/62/09/407206209.db2.gz PLQHVRPGUXHLOY-JTQLQIEISA-N 1 0 311.432 1.669 10 0 DDAERO CN(C)C(=O)c1cccc(N2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000065256210 407241453 /nfs/dbraw/zinc/24/14/53/407241453.db2.gz HZFHMEHUEYJIFS-MRXNPFEDSA-N 1 0 310.401 1.934 10 0 DDAERO CCCC(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000101966364 407318179 /nfs/dbraw/zinc/31/81/79/407318179.db2.gz SDARVRIVQCHXJD-GJZGRUSLSA-N 1 0 314.470 1.791 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(Cc2c(Cl)nc3ccccn32)CC1 ZINC000123483481 407330283 /nfs/dbraw/zinc/33/02/83/407330283.db2.gz NNDHRDWRLVBELR-ZDUSSCGKSA-N 1 0 322.840 1.876 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(C)c(C(N)=O)c2)C1 ZINC000067315526 407271227 /nfs/dbraw/zinc/27/12/27/407271227.db2.gz YMTZWVROJYIJED-ZDUSSCGKSA-N 1 0 304.394 1.700 10 0 DDAERO C[C@@H](OC1CCCCCC1)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000124956177 407374633 /nfs/dbraw/zinc/37/46/33/407374633.db2.gz ZPGLUEAJXQNHPO-ZBFHGGJFSA-N 1 0 312.454 1.903 10 0 DDAERO CCOCC[N@@H+]1CCN(CC(=O)NCC2CCC2)C[C@H]1CC ZINC000108867495 407391749 /nfs/dbraw/zinc/39/17/49/407391749.db2.gz FBGHYWSPGAOQSY-MRXNPFEDSA-N 1 0 311.470 1.335 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H]2CCOc3ccccc32)C1 ZINC000108931612 407393107 /nfs/dbraw/zinc/39/31/07/407393107.db2.gz WKOVHKZTGWMBGG-ZIAGYGMSSA-N 1 0 303.406 1.898 10 0 DDAERO COc1ccccc1C[N@H+](C[C@@H](O)CN1CCCC1=O)C1CC1 ZINC000111684366 407414439 /nfs/dbraw/zinc/41/44/39/407414439.db2.gz WHBYRUMGCBESPY-INIZCTEOSA-N 1 0 318.417 1.643 10 0 DDAERO CC[NH+](CC)CCCNC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111793213 407416106 /nfs/dbraw/zinc/41/61/06/407416106.db2.gz RVLWNRZGHFJBEY-OAHLLOKOSA-N 1 0 323.441 1.025 10 0 DDAERO CC(=O)c1c[nH]c(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000112712129 407436885 /nfs/dbraw/zinc/43/68/85/407436885.db2.gz OKKAYCCNCRAPAW-LBPRGKRZSA-N 1 0 321.421 1.382 10 0 DDAERO CC1CC[NH+](CCCNC(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000112741147 407438343 /nfs/dbraw/zinc/43/83/43/407438343.db2.gz GXPIYTWANWEFQD-AWEZNQCLSA-N 1 0 320.441 1.014 10 0 DDAERO C[C@](O)(CN1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000178490758 407469852 /nfs/dbraw/zinc/46/98/52/407469852.db2.gz JVNBRQGSQKNGLZ-WMZOPIPTSA-N 1 0 304.434 1.548 10 0 DDAERO Cc1sc(=O)n(CC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1C ZINC000113229675 407479506 /nfs/dbraw/zinc/47/95/06/407479506.db2.gz ZRJIHTQXCORXOA-GXFFZTMASA-N 1 0 309.435 1.222 10 0 DDAERO COC(=O)CCCc1nc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)no1 ZINC000113266914 407483718 /nfs/dbraw/zinc/48/37/18/407483718.db2.gz BEAUIQYICGSNDC-CHWSQXEVSA-N 1 0 322.409 1.234 10 0 DDAERO Cc1cc(F)ccc1S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113305549 407494007 /nfs/dbraw/zinc/49/40/07/407494007.db2.gz GHWTXNJPEQFXQJ-GXTWGEPZSA-N 1 0 312.410 1.991 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1ccccc1 ZINC000113444781 407503318 /nfs/dbraw/zinc/50/33/18/407503318.db2.gz FVLLQWIQCWSRTR-UKRRQHHQSA-N 1 0 301.390 1.112 10 0 DDAERO CNC(=O)[C@H](NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)C(C)C ZINC000178458191 407461917 /nfs/dbraw/zinc/46/19/17/407461917.db2.gz IPCQCFSZGPIHNC-UONOGXRCSA-N 1 0 312.458 1.177 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(OCC(F)(F)F)nc2)C1 ZINC000170856687 407532216 /nfs/dbraw/zinc/53/22/16/407532216.db2.gz YIBQBXYYNSLKMJ-NSHDSACASA-N 1 0 317.311 1.799 10 0 DDAERO CN(C(=O)C1CC1)c1ccccc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170865717 407539453 /nfs/dbraw/zinc/53/94/53/407539453.db2.gz RHADWYKLTHBQIL-AWEZNQCLSA-N 1 0 315.417 1.836 10 0 DDAERO [NH3+]C1(C(=O)NCc2nc(C(F)(F)F)cs2)CCOCC1 ZINC000261799602 407619791 /nfs/dbraw/zinc/61/97/91/407619791.db2.gz ITEKZBPUAPUQMW-UHFFFAOYSA-N 1 0 309.313 1.286 10 0 DDAERO C[C@@H](Sc1ccccn1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000152379574 407625204 /nfs/dbraw/zinc/62/52/04/407625204.db2.gz JESVHCAGEKPGNX-CHWSQXEVSA-N 1 0 309.435 1.351 10 0 DDAERO CCS(=O)(=O)c1ccccc1NC[C@@]1(COC)CCC[NH2+]1 ZINC000261721404 407592823 /nfs/dbraw/zinc/59/28/23/407592823.db2.gz QEJIPQJKJHYJTE-OAHLLOKOSA-N 1 0 312.435 1.661 10 0 DDAERO CC(C)(C)OC(=O)NCCN1CCO[C@H](Cn2cccn2)C1 ZINC000130264039 407670303 /nfs/dbraw/zinc/67/03/03/407670303.db2.gz OHXMFMDGBLYHIP-ZDUSSCGKSA-N 1 0 310.398 1.109 10 0 DDAERO NC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)c1 ZINC000261918379 407672967 /nfs/dbraw/zinc/67/29/67/407672967.db2.gz JZEQIYMIDVWMKX-OAGGEKHMSA-N 1 0 303.406 1.032 10 0 DDAERO NC(=O)c1ccc(F)c(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000171526838 407697733 /nfs/dbraw/zinc/69/77/33/407697733.db2.gz IWRAAVOLYNJBIP-LBPRGKRZSA-N 1 0 320.368 1.627 10 0 DDAERO Cc1csc(=O)n1CC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000171552462 407701811 /nfs/dbraw/zinc/70/18/11/407701811.db2.gz WSLVOJFMZNBMIZ-UHFFFAOYSA-N 1 0 319.434 1.585 10 0 DDAERO O=C(c1cccnc1N1CCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171585353 407710376 /nfs/dbraw/zinc/71/03/76/407710376.db2.gz PJYPFIPPGUWIAR-AWEZNQCLSA-N 1 0 300.406 1.602 10 0 DDAERO CC(C)CC(=O)N[C@H](C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000236612348 407733079 /nfs/dbraw/zinc/73/30/79/407733079.db2.gz YJTTYAPQCZWCPA-FMKPAKJESA-N 1 0 311.470 1.759 10 0 DDAERO O=C(CSCc1ccc(Cl)cc1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262204319 407764311 /nfs/dbraw/zinc/76/43/11/407764311.db2.gz ILBRYXFWCKGVGW-WCQYABFASA-N 1 0 314.838 1.270 10 0 DDAERO COC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000262232992 407773288 /nfs/dbraw/zinc/77/32/88/407773288.db2.gz GZNAFGVPLAARMQ-ZMLRMANQSA-N 1 0 302.296 1.651 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)c2ccc(C)[nH]c2=O)C[C@H]1CC ZINC000116769259 407774139 /nfs/dbraw/zinc/77/41/39/407774139.db2.gz UGPHOHZTNMYVLK-CQSZACIVSA-N 1 0 321.421 1.256 10 0 DDAERO Cc1noc2nc(C)cc(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)c12 ZINC000116786048 407775697 /nfs/dbraw/zinc/77/56/97/407775697.db2.gz XUIZGOVEXLOWQX-LBPRGKRZSA-N 1 0 318.377 1.242 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)CCCOc2cccc(F)c2)CCO1 ZINC000116786901 407777588 /nfs/dbraw/zinc/77/75/88/407777588.db2.gz VQLLPMXGVHJSNW-MRXNPFEDSA-N 1 0 324.396 1.774 10 0 DDAERO Cc1cc(C)n(C[C@@H]2CN(CC[NH+]3CCCCC3)CCO2)n1 ZINC000132293272 407777725 /nfs/dbraw/zinc/77/77/25/407777725.db2.gz UJZBKRWGDRWSRO-KRWDZBQOSA-N 1 0 306.454 1.687 10 0 DDAERO C[C@@H]1CC[C@H](C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)O1 ZINC000153260608 407789750 /nfs/dbraw/zinc/78/97/50/407789750.db2.gz JSRUEICEKWXDKQ-OWCLPIDISA-N 1 0 309.454 1.182 10 0 DDAERO COC[C@H]([NH3+])C(=O)N[C@H](c1ccccc1)c1ccccc1OC ZINC000262303701 407790713 /nfs/dbraw/zinc/79/07/13/407790713.db2.gz OEUVICXTWOSCFY-DOTOQJQBSA-N 1 0 314.385 1.875 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000262315731 407798369 /nfs/dbraw/zinc/79/83/69/407798369.db2.gz PQSCZHAZSVZYOF-LBPRGKRZSA-N 1 0 301.350 1.261 10 0 DDAERO CCN(CC)C(=O)N1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000262329942 407799115 /nfs/dbraw/zinc/79/91/15/407799115.db2.gz SJLHUCICEFZRGE-INIZCTEOSA-N 1 0 310.442 1.125 10 0 DDAERO COCCN(Cc1ccc(F)cc1Cl)C(=O)[C@H]([NH3+])COC ZINC000262323994 407800251 /nfs/dbraw/zinc/80/02/51/407800251.db2.gz QSTUPUKDBPXMCS-CYBMUJFWSA-N 1 0 318.776 1.428 10 0 DDAERO COC[C@H]([NH3+])C(=O)NCc1ccc(C)cc1OC[C@@H]1CCCO1 ZINC000262383000 407819061 /nfs/dbraw/zinc/81/90/61/407819061.db2.gz YBJXWCQRIINWAI-GJZGRUSLSA-N 1 0 322.405 1.143 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N(C)Cc1ccccc1OC(F)(F)F ZINC000262399421 407826739 /nfs/dbraw/zinc/82/67/39/407826739.db2.gz ZMVZJUQMARYJJX-SNVBAGLBSA-N 1 0 306.284 1.517 10 0 DDAERO CC[C@@H]1CN(C(=O)CCn2cc(C)cn2)CC[N@@H+]1CCOC ZINC000117309479 407829822 /nfs/dbraw/zinc/82/98/22/407829822.db2.gz LUGQUUKHNWESQG-OAHLLOKOSA-N 1 0 308.426 1.151 10 0 DDAERO CNC(=O)[C@H]1CCCN1Cc1cn(C)nc1-c1cccs1 ZINC000179786826 407831557 /nfs/dbraw/zinc/83/15/57/407831557.db2.gz FEMCLKYOVCWSRL-GFCCVEGCSA-N 1 0 304.419 1.859 10 0 DDAERO CN(C[C@H](O)COCc1ccccc1)C(=O)C1([NH3+])CCCC1 ZINC000262427832 407831566 /nfs/dbraw/zinc/83/15/66/407831566.db2.gz IGMSOISGMMWXDP-HNNXBMFYSA-N 1 0 306.406 1.294 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000262440077 407836638 /nfs/dbraw/zinc/83/66/38/407836638.db2.gz USXKXRDEXBUSTN-GXFFZTMASA-N 1 0 304.350 1.327 10 0 DDAERO CC(=O)Nc1ccc(S[C@@H](C)C(=O)NCC[C@@H](C)[NH3+])cc1 ZINC000262533467 407859114 /nfs/dbraw/zinc/85/91/14/407859114.db2.gz LBWWKDMQNPWRDO-MNOVXSKESA-N 1 0 309.435 1.979 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)/C=C/c2ccnc(Cl)c2)CCO1 ZINC000153615234 407860152 /nfs/dbraw/zinc/86/01/52/407860152.db2.gz ROARELYDGLLGDR-OOPCZODUSA-N 1 0 309.797 1.537 10 0 DDAERO Cc1cnn(CCNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000118078998 407882767 /nfs/dbraw/zinc/88/27/67/407882767.db2.gz SPBGUFOCQWGCEE-INIZCTEOSA-N 1 0 319.453 1.851 10 0 DDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](O)c1cccc(OC(C)C)c1 ZINC000262704331 407903624 /nfs/dbraw/zinc/90/36/24/407903624.db2.gz KZWZOIBXNUFNMA-VBNZEHGJSA-N 1 0 308.422 1.997 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(C(=O)/C=C/c2cncc(C)c2)CC1 ZINC000153532492 407845713 /nfs/dbraw/zinc/84/57/13/407845713.db2.gz AVULRKDPWRBFHD-APHBUQMISA-N 1 0 303.406 1.318 10 0 DDAERO Cc1ccccc1CN(C)C(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000262489579 407847307 /nfs/dbraw/zinc/84/73/07/407847307.db2.gz KVIIBQMUNOYFAW-ULQDDVLXSA-N 1 0 301.434 1.623 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCC(=O)N(CC)CC ZINC000153976086 407945571 /nfs/dbraw/zinc/94/55/71/407945571.db2.gz NPMGMUQIMHKEGE-HUUCEWRRSA-N 1 0 309.454 1.720 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(CC(=O)NCC2CCCCC2)CC1 ZINC000118859329 407959167 /nfs/dbraw/zinc/95/91/67/407959167.db2.gz VKQDMAZDFALIJD-INIZCTEOSA-N 1 0 311.470 1.071 10 0 DDAERO CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H]2CCO[C@H]2C(C)C)C1(C)C ZINC000262742844 407915217 /nfs/dbraw/zinc/91/52/17/407915217.db2.gz JFHIYJGHCHEHLZ-WVZRYYJFSA-N 1 0 312.454 1.696 10 0 DDAERO CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@H](C)C[NH3+] ZINC000262776068 407924947 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CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000175109963 408051771 /nfs/dbraw/zinc/05/17/71/408051771.db2.gz VBVQLLQQFKDPDS-CQSZACIVSA-N 1 0 320.441 1.014 10 0 DDAERO CN1CC[NH2+]C[C@H]1c1noc([C@H]2Cc3cc(Cl)ccc3O2)n1 ZINC000263190832 408052859 /nfs/dbraw/zinc/05/28/59/408052859.db2.gz HWMZZVWXEBEDIL-WCQYABFASA-N 1 0 320.780 1.975 10 0 DDAERO CC(C)(C)OC(=O)CNC(=O)CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000181560399 408011976 /nfs/dbraw/zinc/01/19/76/408011976.db2.gz ARRLVIWWXHMEAM-QWHCGFSZSA-N 1 0 312.410 1.088 10 0 DDAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000263209047 408058773 /nfs/dbraw/zinc/05/87/73/408058773.db2.gz KAZJXUUPNNCSRL-WFASDCNBSA-N 1 0 306.797 1.196 10 0 DDAERO CC[C@H]1CN(Cc2cnc3c(C)cccn23)CC[N@@H+]1C[C@H](C)O ZINC000245786796 408069116 /nfs/dbraw/zinc/06/91/16/408069116.db2.gz VJDRNJUXYFCMQR-HOTGVXAUSA-N 1 0 316.449 1.920 10 0 DDAERO CC[C@@H]1CN(Cc2cccc3c2OCO3)CC[N@@H+]1C[C@H](C)O ZINC000245811875 408070583 /nfs/dbraw/zinc/07/05/83/408070583.db2.gz ZKHWGYIFNYQOIQ-DZGCQCFKSA-N 1 0 306.406 1.692 10 0 DDAERO CC[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCN1CCOC ZINC000119526418 408085294 /nfs/dbraw/zinc/08/52/94/408085294.db2.gz LTYQOWFOEIGRLB-MRXNPFEDSA-N 1 0 311.470 1.288 10 0 DDAERO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)C1C[NH2+]C1 ZINC000263276115 408086757 /nfs/dbraw/zinc/08/67/57/408086757.db2.gz IWMGBWPREKSKOI-VIFPVBQESA-N 1 0 319.188 1.069 10 0 DDAERO CN1CC[NH2+]C[C@@H]1c1noc(/C=C/c2nc3ccccc3o2)n1 ZINC000263282401 408091099 /nfs/dbraw/zinc/09/10/99/408091099.db2.gz UMROWQZEWBGBNY-NNNHXZLVSA-N 1 0 311.345 1.957 10 0 DDAERO COc1cccc(/C=C/c2nc([C@@H]3C[NH2+]CCN3C)no2)c1 ZINC000263317923 408104182 /nfs/dbraw/zinc/10/41/82/408104182.db2.gz ZTCROMCWAWNINX-UZYOAWRESA-N 1 0 300.362 1.825 10 0 DDAERO CC[NH+](CC)CCNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000154969153 408108402 /nfs/dbraw/zinc/10/84/02/408108402.db2.gz RINPADFQCYYFPK-CYBMUJFWSA-N 1 0 322.457 1.357 10 0 DDAERO CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000121099769 408154559 /nfs/dbraw/zinc/15/45/59/408154559.db2.gz NQMWCPASSDSTGB-CQSZACIVSA-N 1 0 306.454 1.451 10 0 DDAERO Cc1ccc([C@H](C)NC(=O)NCCN2CCC([NH+](C)C)CC2)o1 ZINC000175547174 408158327 /nfs/dbraw/zinc/15/83/27/408158327.db2.gz VAKJDIIROPYISG-AWEZNQCLSA-N 1 0 322.453 1.974 10 0 DDAERO CNC(=O)[C@H](NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)C(C)C ZINC000246183894 408166352 /nfs/dbraw/zinc/16/63/52/408166352.db2.gz JPBVBZAIIGEIHV-UONOGXRCSA-N 1 0 312.458 1.034 10 0 DDAERO Cc1ccc(F)c(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000246469841 408264563 /nfs/dbraw/zinc/26/45/63/408264563.db2.gz QAEMUUQYNCMTCM-DOMZBBRYSA-N 1 0 321.396 1.918 10 0 DDAERO COc1ccc(OC)c(C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000246355849 408231821 /nfs/dbraw/zinc/23/18/21/408231821.db2.gz GGHBEFGPNWBLHF-WMLDXEAASA-N 1 0 320.433 1.856 10 0 DDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccc(CO)c(F)c2)C1 ZINC000246550426 408288807 /nfs/dbraw/zinc/28/88/07/408288807.db2.gz WAJWGQBFBXMWHL-BLLLJJGKSA-N 1 0 323.412 1.846 10 0 DDAERO COc1c(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c(C)nn1C ZINC000151387376 408303262 /nfs/dbraw/zinc/30/32/62/408303262.db2.gz IQLXXEAYAMSEHE-SWLSCSKDSA-N 1 0 311.451 1.881 10 0 DDAERO CC[C@H]1CN([C@@H](C(=O)OC)c2ccccc2)CC[N@@H+]1CCOC ZINC000246650279 408309482 /nfs/dbraw/zinc/30/94/82/408309482.db2.gz FTGSCBMSBGHRDL-DLBZAZTESA-N 1 0 320.433 1.943 10 0 DDAERO CC(C)N(C)c1ccc(C[NH2+][C@H]2CCc3ncnn3C2)cn1 ZINC000190973504 408350317 /nfs/dbraw/zinc/35/03/17/408350317.db2.gz SCDXNCGJSJKNTN-AWEZNQCLSA-N 1 0 300.410 1.622 10 0 DDAERO CC[C@H]1CN(C(=O)CCc2ccccc2)CC[N@@H+]1C[C@H](C)O ZINC000246839686 408350663 /nfs/dbraw/zinc/35/06/63/408350663.db2.gz MIGFACZWTHEPGO-RDJZCZTQSA-N 1 0 304.434 1.923 10 0 DDAERO CCCn1cc(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cn1 ZINC000183227205 408359963 /nfs/dbraw/zinc/35/99/63/408359963.db2.gz WEBBPHIUBPRJQN-CQSZACIVSA-N 1 0 322.453 1.458 10 0 DDAERO C[C@H](CC(=O)N1CCO[C@@H](Cn2cccn2)C1)[C@@H]1CCC[NH2+]C1 ZINC000168229920 162179327 /nfs/dbraw/zinc/17/93/27/162179327.db2.gz OMQFZTZRSWDWDC-BZUAXINKSA-N 1 0 320.437 1.136 10 0 DDAERO COc1ccc([C@@H](C)[NH2+]CC(=O)NC2CCOCC2)cc1OC ZINC000170784538 162192523 /nfs/dbraw/zinc/19/25/23/162192523.db2.gz BUDVQNHLILMCIR-GFCCVEGCSA-N 1 0 322.405 1.650 10 0 DDAERO CCCN(CCC)C(=O)CCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171471503 162220398 /nfs/dbraw/zinc/22/03/98/162220398.db2.gz IDJFCCIMNLJGLK-OAHLLOKOSA-N 1 0 309.454 1.722 10 0 DDAERO O[C@H](COc1ccc(Cl)cc1)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171626747 162231543 /nfs/dbraw/zinc/23/15/43/162231543.db2.gz MWSLMSDEGVXRSS-CABCVRRESA-N 1 0 310.825 1.860 10 0 DDAERO COCCOc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000171807406 162243213 /nfs/dbraw/zinc/24/32/13/162243213.db2.gz VFENZYGQOOOHJD-AWEZNQCLSA-N 1 0 320.393 1.419 10 0 DDAERO CC(=O)Nc1cccc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171900170 162246331 /nfs/dbraw/zinc/24/63/31/162246331.db2.gz WVKBONPTRUNTHT-MRXNPFEDSA-N 1 0 316.405 1.635 10 0 DDAERO CCc1nc2n(n1)C[C@@H](NC(=O)N(CC[NH+](C)C)C(C)C)CC2 ZINC000158933131 408371462 /nfs/dbraw/zinc/37/14/62/408371462.db2.gz VOVWOUODGMFQOC-ZDUSSCGKSA-N 1 0 322.457 1.137 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(=O)[nH]c3cc(F)ccc32)C1 ZINC000172541841 162281943 /nfs/dbraw/zinc/28/19/43/162281943.db2.gz NTCTYEMDOGYAEL-LBPRGKRZSA-N 1 0 317.364 1.881 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)Cc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000173763668 162362588 /nfs/dbraw/zinc/36/25/88/162362588.db2.gz FJJHWIGURPQKST-INIZCTEOSA-N 1 0 315.417 1.740 10 0 DDAERO CC[C@H]1CN(Cc2cc(OC)ccc2OC)CC[N@@H+]1C[C@H](C)O ZINC000246950178 408373003 /nfs/dbraw/zinc/37/30/03/408373003.db2.gz BGLKXVUQRGUHQX-HOCLYGCPSA-N 1 0 322.449 1.981 10 0 DDAERO COc1ccc(OCCC[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000173941247 162381200 /nfs/dbraw/zinc/38/12/00/162381200.db2.gz RKPNPHGZQQYNSF-MRXNPFEDSA-N 1 0 320.433 1.871 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000174000339 162385553 /nfs/dbraw/zinc/38/55/53/162385553.db2.gz PPNNFXZZJXBVEB-HUUCEWRRSA-N 1 0 322.457 1.601 10 0 DDAERO COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000246970332 408375555 /nfs/dbraw/zinc/37/55/55/408375555.db2.gz KFBBMIAQKVVFSZ-ULQDDVLXSA-N 1 0 318.417 1.588 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc2c1OCC(=O)N2 ZINC000247072756 408403921 /nfs/dbraw/zinc/40/39/21/408403921.db2.gz HOOGOWNKBRTSSR-RYUDHWBXSA-N 1 0 315.373 1.326 10 0 DDAERO COc1cccc(NC(=O)CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1 ZINC000247200104 408427228 /nfs/dbraw/zinc/42/72/28/408427228.db2.gz OWKZDRQNEGWHEP-KGLIPLIRSA-N 1 0 321.421 1.021 10 0 DDAERO COCC[N@@H+]1CCN(Cc2cc(C(=O)OC)c(C)o2)C[C@@H]1C ZINC000247194203 408428038 /nfs/dbraw/zinc/42/80/38/408428038.db2.gz OLWBWLCRANDLDZ-LBPRGKRZSA-N 1 0 310.394 1.527 10 0 DDAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CCc2ccncc2)CC1 ZINC000176863059 408460070 /nfs/dbraw/zinc/46/00/70/408460070.db2.gz LQGHXNBWJVPWNX-OAHLLOKOSA-N 1 0 319.449 1.565 10 0 DDAERO CC(=O)NC1CN(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000191730761 408479982 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CO[C@@H]1C[C@@H](CO)[N@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000344707750 272095695 /nfs/dbraw/zinc/09/56/95/272095695.db2.gz JQXQNIZXCGSFGG-DLBZAZTESA-N 1 0 301.390 1.762 10 0 DDAERO COc1nc(N2CC[C@@]3(CC[NH2+]C3)C2)ncc1Br ZINC000261581948 274168069 /nfs/dbraw/zinc/16/80/69/274168069.db2.gz QYFFCKQXKRZACS-GFCCVEGCSA-N 1 0 313.199 1.438 10 0 DDAERO C([NH2+][C@H]1CCC[C@@H]1[C@@H]1COCCN1)[C@@H]1CSCCS1 ZINC000261991523 275395968 /nfs/dbraw/zinc/39/59/68/275395968.db2.gz SWAFXTHLFKVMSM-RFGFWPKPSA-N 1 0 302.509 1.582 10 0 DDAERO CC(C)(CNC(=O)N[C@H]1CCc2ncnn2C1)[NH+]1CCCCC1 ZINC000112740280 275548721 /nfs/dbraw/zinc/54/87/21/275548721.db2.gz OHKQLILVSCPZRS-ZDUSSCGKSA-N 1 0 320.441 1.157 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000106902892 276172958 /nfs/dbraw/zinc/17/29/58/276172958.db2.gz QWINPZCNPGWMHX-IAGOWNOFSA-N 1 0 303.450 1.760 10 0 DDAERO C[NH+](C)C[C@@H]1CN([C@@H]2CCc3ccccc3NC2=O)CCO1 ZINC000192010100 276798999 /nfs/dbraw/zinc/79/89/99/276798999.db2.gz 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CS(=O)(=O)c1cccnc1NC[C@H]1C[NH2+]CCC1(F)F ZINC000717002121 699285501 /nfs/dbraw/zinc/28/55/01/699285501.db2.gz XFIAVKWILUICGQ-SECBINFHSA-N 1 0 305.350 1.142 10 0 DDAERO C[C@@H](NS(=O)(=O)[C@H]1CCC[NH2+]C1)c1cc(F)ccc1F ZINC000722230591 699317059 /nfs/dbraw/zinc/31/70/59/699317059.db2.gz ZDLUVAWSSMZEIY-KOLCDFICSA-N 1 0 304.362 1.697 10 0 DDAERO CC(C)(C)OC(=O)N1C[C@@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CO1 ZINC000724643629 699327235 /nfs/dbraw/zinc/32/72/35/699327235.db2.gz MXZYJWQDHIYEIY-FDYHWXHSSA-N 1 0 312.410 1.940 10 0 DDAERO CN(CC[N@H+](C)CCO)C(=O)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000912606815 713046735 /nfs/dbraw/zinc/04/67/35/713046735.db2.gz XZEYZRRNDFHOKW-MAUKXSAKSA-N 1 0 318.417 1.109 10 0 DDAERO Cc1cc(C[NH2+][C@H]2C[C@@H](O)[C@@H]2n2cccn2)ccc1-n1cncn1 ZINC000888076199 709209396 /nfs/dbraw/zinc/20/93/96/709209396.db2.gz HXKUFVHNACYKJS-USXIJHARSA-N 1 0 324.388 1.236 10 0 DDAERO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)C1CC(F)(F)C1)C2 ZINC000888095272 709211533 /nfs/dbraw/zinc/21/15/33/709211533.db2.gz UGHAPKUVDRKJKL-CXTNEJHOSA-N 1 0 316.392 1.628 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccnc2[nH]c(=O)[nH]c21 ZINC000900899166 709817311 /nfs/dbraw/zinc/81/73/11/709817311.db2.gz GATLWHXZFQNLHS-GHMZBOCLSA-N 1 0 315.377 1.362 10 0 DDAERO CC(=O)N1C[C@@H](CC(=O)NCCC[NH+](C)C)c2ccccc21 ZINC000074664536 185006500 /nfs/dbraw/zinc/00/65/00/185006500.db2.gz ZMXOPWCRWOMDKQ-CQSZACIVSA-N 1 0 303.406 1.595 10 0 DDAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CN3CCCC3=O)C[C@@H]12 ZINC000248579724 282091916 /nfs/dbraw/zinc/09/19/16/282091916.db2.gz FCVIFJKFJTUECQ-MGPQQGTHSA-N 1 0 323.437 1.801 10 0 DDAERO COc1ccc([C@H]([NH3+])[C@H](C)SCCS(C)(=O)=O)cc1 ZINC000081769051 192323106 /nfs/dbraw/zinc/32/31/06/192323106.db2.gz GSVLPVOWMRBPMS-GXFFZTMASA-N 1 0 303.449 1.861 10 0 DDAERO Cn1c(S[C@H]2C[C@@H](c3ccccc3)CC[C@@H]2[NH3+])n[nH]c1=O ZINC000081880339 192334334 /nfs/dbraw/zinc/33/43/34/192334334.db2.gz DIHWITMMTLEEPX-AVGNSLFASA-N 1 0 304.419 1.864 10 0 DDAERO CCC[NH2+][C@H]1CCC2(C[C@H]1Sc1n[nH]c(C)n1)OCCO2 ZINC000081890511 192334718 /nfs/dbraw/zinc/33/47/18/192334718.db2.gz YTVMGBPAPFSYAT-NWDGAFQWSA-N 1 0 312.439 1.869 10 0 DDAERO C[C@H](CS(C)(=O)=O)[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000081902237 192336565 /nfs/dbraw/zinc/33/65/65/192336565.db2.gz IUZUMQQLABEQJM-CHWSQXEVSA-N 1 0 307.419 1.956 10 0 DDAERO [NH3+][C@@H]1CCC2(C[C@H]1S(=O)(=O)c1ccccc1F)OCCO2 ZINC000081922984 192340352 /nfs/dbraw/zinc/34/03/52/192340352.db2.gz CTSGNQDRDQIHMH-DGCLKSJQSA-N 1 0 315.366 1.222 10 0 DDAERO Fc1ccc(CN2CC[NH+](CCn3ccnc3)CC2)cc1F ZINC000077120248 185110779 /nfs/dbraw/zinc/11/07/79/185110779.db2.gz RTQYOGKZPSBCJJ-UHFFFAOYSA-N 1 0 306.360 1.979 10 0 DDAERO CC(C)[NH2+][C@H](CSc1ncccc1Br)C(N)=O ZINC000079447267 185172089 /nfs/dbraw/zinc/17/20/89/185172089.db2.gz OJWLGEZHBNZBRT-SECBINFHSA-N 1 0 318.240 1.788 10 0 DDAERO Cc1ccccc1C(=O)N1CCN(C2CC[NH+](C)CC2)CC1 ZINC000082348071 185176907 /nfs/dbraw/zinc/17/69/07/185176907.db2.gz NKGUNBGXFFLYIE-UHFFFAOYSA-N 1 0 301.434 1.847 10 0 DDAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1cncc(Br)c1 ZINC000087403987 185223784 /nfs/dbraw/zinc/22/37/84/185223784.db2.gz NCMQWPOWSSIEIC-VIFPVBQESA-N 1 0 322.228 1.250 10 0 DDAERO CCC[C@H](C[NH3+])NS(=O)(=O)c1cncc(Br)c1 ZINC000087403988 185223885 /nfs/dbraw/zinc/22/38/85/185223885.db2.gz NCMQWPOWSSIEIC-SECBINFHSA-N 1 0 322.228 1.250 10 0 DDAERO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C(C)(C)C(C)(C)[NH3+] ZINC000087627676 185229588 /nfs/dbraw/zinc/22/95/88/185229588.db2.gz LGMJKRYMFZMPNH-UHFFFAOYSA-N 1 0 313.423 1.344 10 0 DDAERO CCCc1nsc(N2CCN(c3cc[nH+]cc3N)CC2)n1 ZINC000087643033 185229765 /nfs/dbraw/zinc/22/97/65/185229765.db2.gz MFVXIFVEWRBSQU-UHFFFAOYSA-N 1 0 304.423 1.794 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)C1 ZINC000152007001 539200141 /nfs/dbraw/zinc/20/01/41/539200141.db2.gz UNARMNBNTCYWBS-CABCVRRESA-N 1 0 322.453 1.123 10 0 DDAERO Cc1nnc(SCC(=O)N2CCCCCCC2)n1CC[NH3+] ZINC000087715129 185230922 /nfs/dbraw/zinc/23/09/22/185230922.db2.gz JMNZGVKJTJURIS-UHFFFAOYSA-N 1 0 311.455 1.430 10 0 DDAERO C[C@@H](C[NH3+])CS(=O)(=O)Cc1ccccc1Br ZINC000088090145 185239522 /nfs/dbraw/zinc/23/95/22/185239522.db2.gz YBNYNTVOHVEZBU-VIFPVBQESA-N 1 0 306.225 1.959 10 0 DDAERO O=S(=O)(Nc1cc(C(F)(F)F)ccc1F)[C@H]1CC[NH2+]C1 ZINC000088056812 185238247 /nfs/dbraw/zinc/23/82/47/185238247.db2.gz PJTLPMVMNIJHOF-QMMMGPOBSA-N 1 0 312.288 1.948 10 0 DDAERO Cc1nn(C)c(C[S@@](=O)CC[C@H](C)[NH3+])c1Br ZINC000088077092 185238898 /nfs/dbraw/zinc/23/88/98/185238898.db2.gz VYLSHLGGIUXFLU-HYORBCNSSA-N 1 0 308.245 1.477 10 0 DDAERO C[NH2+][C@@H](CS(=O)(=O)CCC(=O)OC)c1cc(C)ccc1C ZINC000081975262 192347921 /nfs/dbraw/zinc/34/79/21/192347921.db2.gz CMSKGTIJVNTHPK-AWEZNQCLSA-N 1 0 313.419 1.542 10 0 DDAERO CCC[NH2+][C@@H]1CCC(C)(C)C[C@H]1S(=O)(=O)CC(=O)OCC ZINC000081977430 192348178 /nfs/dbraw/zinc/34/81/78/192348178.db2.gz INHOYPNXQUKNMQ-CHWSQXEVSA-N 1 0 319.467 1.911 10 0 DDAERO O=C(Nc1ccc2sccc2c1)C(=O)N1CCC[NH2+]CC1 ZINC000088129309 185240458 /nfs/dbraw/zinc/24/04/58/185240458.db2.gz SADJGGVMYGAWKW-UHFFFAOYSA-N 1 0 303.387 1.662 10 0 DDAERO CC[NH2+][C@@H](CS(=O)(=O)CCC(=O)OC)c1ccccc1C ZINC000081974927 192348288 /nfs/dbraw/zinc/34/82/88/192348288.db2.gz QNGSFMIXOXQAOT-AWEZNQCLSA-N 1 0 313.419 1.624 10 0 DDAERO CC(C)[NH2+]CCCS(=O)(=O)N1CCC(C(F)(F)F)CC1 ZINC000088433080 185249777 /nfs/dbraw/zinc/24/97/77/185249777.db2.gz OMZGKHGHAIJOKE-UHFFFAOYSA-N 1 0 316.389 1.979 10 0 DDAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N[C@H](C)COCC)o1 ZINC000088543027 185256303 /nfs/dbraw/zinc/25/63/03/185256303.db2.gz LDAYOCBZARMFFG-LLVKDONJSA-N 1 0 304.412 1.483 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N[C@@H]2COc3ccccc32)o1 ZINC000088551245 185257614 /nfs/dbraw/zinc/25/76/14/185257614.db2.gz NVFWBBHXSBCRBJ-GFCCVEGCSA-N 1 0 308.359 1.411 10 0 DDAERO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)C1=O ZINC000088774777 185265365 /nfs/dbraw/zinc/26/53/65/185265365.db2.gz MMYJHQWXNRBEBZ-SNVBAGLBSA-N 1 0 302.252 1.432 10 0 DDAERO CC(C)(C)[C@H](CC[NH3+])CCC(=O)N[C@@H]1C=CS(=O)(=O)C1 ZINC000088856163 185267085 /nfs/dbraw/zinc/26/70/85/185267085.db2.gz RKDVEGYREUMYTD-NWDGAFQWSA-N 1 0 302.440 1.205 10 0 DDAERO CCOC(=O)CS(=O)(=O)[C@H](C)[C@@H]([NH2+]C)c1ccc(C)cc1 ZINC000081977787 192349883 /nfs/dbraw/zinc/34/98/83/192349883.db2.gz HYRGBZITBSVNMN-IUODEOHRSA-N 1 0 313.419 1.622 10 0 DDAERO C[NH2+][C@H](C[S@](=O)CCS(C)(=O)=O)c1ccc(C)cc1C ZINC000081992084 192351540 /nfs/dbraw/zinc/35/15/40/192351540.db2.gz NDAAJVVIKYSAKV-KUHUBIRLSA-N 1 0 317.476 1.357 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1ccccc1Cl ZINC000090331715 185291170 /nfs/dbraw/zinc/29/11/70/185291170.db2.gz HLKBJFWQUAETPS-NQBHXWOUSA-N 1 0 314.838 1.959 10 0 DDAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1c1ccccc1S(=O)(=O)C(F)F ZINC000090328243 185291424 /nfs/dbraw/zinc/29/14/24/185291424.db2.gz ZUJYCXSACJDOQM-GMTAPVOTSA-N 1 0 316.373 1.727 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C1=NS(=O)(=O)c2ccccc21 ZINC000090334047 185291612 /nfs/dbraw/zinc/29/16/12/185291612.db2.gz QKHLEBYFQWHVCM-RAIGVLPGSA-N 1 0 305.403 1.065 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1CC(=O)Nc1cccnc1Cl ZINC000090337883 185291759 /nfs/dbraw/zinc/29/17/59/185291759.db2.gz LWTHJVGHUJARQM-QWRGUYRKSA-N 1 0 308.813 1.603 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1ccc(F)cc1F ZINC000090336935 185291924 /nfs/dbraw/zinc/29/19/24/185291924.db2.gz ZKFRTDNKMGBAQG-MWLCHTKSSA-N 1 0 316.373 1.583 10 0 DDAERO [NH3+][C@@H]1COC[C@H]1c1nc(-c2ccc(Br)cc2)no1 ZINC000090364358 185292810 /nfs/dbraw/zinc/29/28/10/185292810.db2.gz MDUKSILORAABML-NXEZZACHSA-N 1 0 310.151 1.940 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cccc(-c2nccs2)c1 ZINC000090434264 185296202 /nfs/dbraw/zinc/29/62/02/185296202.db2.gz DKPVFUAYROYXBK-CHWSQXEVSA-N 1 0 303.387 1.983 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000090438626 185296541 /nfs/dbraw/zinc/29/65/41/185296541.db2.gz POVWDDCDECTUAU-CJNGLKHVSA-N 1 0 309.841 1.696 10 0 DDAERO C[C@]1(C(=O)NCc2ccccc2Br)COC[C@H]1[NH3+] ZINC000090600060 185305765 /nfs/dbraw/zinc/30/57/65/185305765.db2.gz CZQDVNVEOYLLTE-YPMHNXCESA-N 1 0 313.195 1.429 10 0 DDAERO Cc1cc(NS(=O)(=O)c2ccc(C(N)=S)cc2)cc[nH+]1 ZINC000092350157 185313514 /nfs/dbraw/zinc/31/35/14/185313514.db2.gz JQVQEPNWRATOTN-UHFFFAOYSA-N 1 0 307.400 1.825 10 0 DDAERO Cc1nn(CCS(C)(=O)=O)c(C)c1[C@@H](C)C[NH2+]C(C)C ZINC000092323478 185312347 /nfs/dbraw/zinc/31/23/47/185312347.db2.gz FOISMMWBLQMIJU-NSHDSACASA-N 1 0 301.456 1.646 10 0 DDAERO CCS(=O)(=O)[C@H]1CSCCN1Cc1cc(NC)cc[nH+]1 ZINC000092419473 185317248 /nfs/dbraw/zinc/31/72/48/185317248.db2.gz KCEUROVIFKTTBL-ZDUSSCGKSA-N 1 0 315.464 1.433 10 0 DDAERO Cc1nc2ccc(NC(=O)CN3CCC([NH3+])CC3)cc2s1 ZINC000092713810 185336004 /nfs/dbraw/zinc/33/60/04/185336004.db2.gz OYXDPZWNKQHNIL-UHFFFAOYSA-N 1 0 304.419 1.966 10 0 DDAERO CN(CCC[NH2+]C1CC1)S(=O)(=O)NC1C(C)(C)C1(C)C ZINC000092833334 185344900 /nfs/dbraw/zinc/34/49/00/185344900.db2.gz AMDXXXMGXRALQC-UHFFFAOYSA-N 1 0 303.472 1.329 10 0 DDAERO CCN(CC)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000181476994 199303008 /nfs/dbraw/zinc/30/30/08/199303008.db2.gz AYSNTMOFIPSOPJ-MRXNPFEDSA-N 1 0 305.422 1.805 10 0 DDAERO CN(c1cc[nH+]cc1C(N)=O)[C@@H]1CCCN(c2cccnn2)C1 ZINC000302046931 530037735 /nfs/dbraw/zinc/03/77/35/530037735.db2.gz VCHMIPHYGPNAJM-GFCCVEGCSA-N 1 0 312.377 1.076 10 0 DDAERO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2C[C@H](O)COCc1ccccc1 ZINC000286757446 219150079 /nfs/dbraw/zinc/15/00/79/219150079.db2.gz ZDLZAXZEKZHWRV-XNIJUTNWSA-N 1 0 317.429 1.919 10 0 DDAERO COCCN(c1c(F)cc(CC[NH3+])cc1F)[C@H](C)COC ZINC000111485715 185608538 /nfs/dbraw/zinc/60/85/38/185608538.db2.gz ISSGNSQIJGUVMJ-LLVKDONJSA-N 1 0 302.365 1.954 10 0 DDAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@H]1c1cccnc1N ZINC000616635774 362764746 /nfs/dbraw/zinc/76/47/46/362764746.db2.gz MGPPCOBQHOFQFV-ZDUSSCGKSA-N 1 0 321.425 1.135 10 0 DDAERO CCNS(=O)(=O)c1ccccc1N1CCCC[C@H]1CC[NH3+] ZINC000070073876 190855004 /nfs/dbraw/zinc/85/50/04/190855004.db2.gz HBQJZRXXOXALOL-ZDUSSCGKSA-N 1 0 311.451 1.693 10 0 DDAERO Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCC[NH+]1CCCCC1 ZINC000083696061 192377566 /nfs/dbraw/zinc/37/75/66/192377566.db2.gz QNKNWCDGQWAEAN-CQSZACIVSA-N 1 0 320.441 1.597 10 0 DDAERO CN(CC(=O)Nc1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000071311022 190955594 /nfs/dbraw/zinc/95/55/94/190955594.db2.gz HXOLXRGGMDHOJP-GFCCVEGCSA-N 1 0 312.211 1.681 10 0 DDAERO CC(C)(C)[C@H]1CN(CCS(C)(=O)=O)[C@@H](C(C)(C)C)C[NH2+]1 ZINC000071348086 190960872 /nfs/dbraw/zinc/96/08/72/190960872.db2.gz JTJHNOLJOPTEFO-CHWSQXEVSA-N 1 0 304.500 1.766 10 0 DDAERO CC[NH2+][C@H](C[S@@](=O)CCOC)c1ccc(OC)cc1OC ZINC000084036410 192396551 /nfs/dbraw/zinc/39/65/51/192396551.db2.gz FQJCFABMIODDRZ-SPLOXXLWSA-N 1 0 315.435 1.750 10 0 DDAERO CCC[C@@H](C[S@](=O)c1ccc(S(C)(=O)=O)cc1)[NH2+]C ZINC000084056392 192397771 /nfs/dbraw/zinc/39/77/71/192397771.db2.gz CCLZBJJUDRRSRD-BBATYDOGSA-N 1 0 303.449 1.586 10 0 DDAERO [NH3+][C@@H](C[S@](=O)C1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000084054360 192398222 /nfs/dbraw/zinc/39/82/22/192398222.db2.gz JSCZYTAZJWKSEF-YEJXKQKISA-N 1 0 311.403 1.385 10 0 DDAERO CCC[C@@H]1CC[C@@H](C[NH3+])[C@H](S(=O)(=O)CCC(=O)OC)C1 ZINC000084271029 192419304 /nfs/dbraw/zinc/41/93/04/192419304.db2.gz ZGZWTQLWTZBAFP-FRRDWIJNSA-N 1 0 305.440 1.508 10 0 DDAERO CC[NH2+][C@](C)(C[C@H](C)n1cc(Br)cn1)C(N)=O ZINC000084363924 192425939 /nfs/dbraw/zinc/42/59/39/192425939.db2.gz CJYSUYLJHPOKDY-GZMMTYOYSA-N 1 0 303.204 1.450 10 0 DDAERO OC1CC(C[NH2+]Cc2ccc(I)o2)C1 ZINC000084447438 192431427 /nfs/dbraw/zinc/43/14/27/192431427.db2.gz WDBGGDAOXHWATJ-UHFFFAOYSA-N 1 0 307.131 1.745 10 0 DDAERO COc1cc2c(c(F)c1)CN(CCCn1ccnc1)[C@H]2C[NH3+] ZINC000071683454 191007144 /nfs/dbraw/zinc/00/71/44/191007144.db2.gz CLHKBHXLRUFRPP-INIZCTEOSA-N 1 0 304.369 1.937 10 0 DDAERO Cc1n[nH]c(C)c1CNC(=O)Cc1csc(CCC[NH3+])n1 ZINC000071694819 191008986 /nfs/dbraw/zinc/00/89/86/191008986.db2.gz HQXUHDLWWITRBV-UHFFFAOYSA-N 1 0 307.423 1.233 10 0 DDAERO C[C@@H](NC(N)=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000145816571 186038040 /nfs/dbraw/zinc/03/80/40/186038040.db2.gz JYAMSUXNXVKCSI-LLVKDONJSA-N 1 0 324.450 1.133 10 0 DDAERO CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)NCc2ncc[nH]2)c1 ZINC000080644793 192176426 /nfs/dbraw/zinc/17/64/26/192176426.db2.gz WVYISGQMSCRPRK-NSHDSACASA-N 1 0 308.407 1.559 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccnc1OC ZINC000173778354 198250866 /nfs/dbraw/zinc/25/08/66/198250866.db2.gz OPGRSUGTRVOKGR-HUUCEWRRSA-N 1 0 318.421 1.858 10 0 DDAERO COCCN1CCN(C(=O)CNc2c(C)cccc2C)C[C@H]1C ZINC000173805660 198254279 /nfs/dbraw/zinc/25/42/79/198254279.db2.gz LIAXKOPJFMBPCF-MRXNPFEDSA-N 1 0 319.449 1.894 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCn1cccn1 ZINC000173730484 198246287 /nfs/dbraw/zinc/24/62/87/198246287.db2.gz NQOLCKVNHPMMEF-HUUCEWRRSA-N 1 0 305.426 1.541 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(Cc2cc(F)cc3c2OCOC3)CC1 ZINC000174091704 198290075 /nfs/dbraw/zinc/29/00/75/198290075.db2.gz CYLXSGOOXSRGAX-MRXNPFEDSA-N 1 0 324.396 1.581 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(Cc2noc(-c3ccccc3)n2)CC1 ZINC000174093193 198290688 /nfs/dbraw/zinc/29/06/88/198290688.db2.gz IUTZOZHVBGBXAR-HNNXBMFYSA-N 1 0 316.405 1.625 10 0 DDAERO NC(=O)NC(=O)CCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000174379699 198327374 /nfs/dbraw/zinc/32/73/74/198327374.db2.gz RAVPZUHYAHJHRB-HUUCEWRRSA-N 1 0 319.405 1.550 10 0 DDAERO C[C@H](NC(=O)C1CC[NH+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000174603962 198357241 /nfs/dbraw/zinc/35/72/41/198357241.db2.gz LPMPPRZYFJAPFV-LBPRGKRZSA-N 1 0 304.390 1.977 10 0 DDAERO CC(C)Cn1ccnc(NC[C@H]2C[N@H+](CC(C)C)CCO2)c1=O ZINC000094132325 353910241 /nfs/dbraw/zinc/91/02/41/353910241.db2.gz JHZNKQNWWDNNFI-HNNXBMFYSA-N 1 0 322.453 1.668 10 0 DDAERO CCCCNC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000109390491 353956841 /nfs/dbraw/zinc/95/68/41/353956841.db2.gz GNSVSDKWXXLRJW-UHFFFAOYSA-N 1 0 307.442 1.789 10 0 DDAERO C[C@H](C[C@H](C)[NH3+])Nc1ncc(I)cn1 ZINC000126422567 354055785 /nfs/dbraw/zinc/05/57/85/354055785.db2.gz IISNFWMNNWGEPE-NKWVEPMBSA-N 1 0 306.151 1.619 10 0 DDAERO Cc1ncccc1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000176439784 198586855 /nfs/dbraw/zinc/58/68/55/198586855.db2.gz LNARZSPDTYDECP-ZDUSSCGKSA-N 1 0 305.422 1.555 10 0 DDAERO C[N@H+](CC1CC1)C[C@H]1CN(C(=O)CCC(F)(F)F)CCO1 ZINC000328650684 354558924 /nfs/dbraw/zinc/55/89/24/354558924.db2.gz VRUKYYJYVATOEW-LBPRGKRZSA-N 1 0 308.344 1.898 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H](C)C(=O)OC(C)C ZINC000073722446 191348532 /nfs/dbraw/zinc/34/85/32/191348532.db2.gz XRZXEAYCYUKQNH-UONOGXRCSA-N 1 0 315.458 1.850 10 0 DDAERO Cc1cc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc[nH+]1 ZINC000074932190 191389520 /nfs/dbraw/zinc/38/95/20/191389520.db2.gz JCYRGPLOFZACEH-UHFFFAOYSA-N 1 0 305.315 1.625 10 0 DDAERO C[C@@H](NC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1nccs1 ZINC000080269925 192019602 /nfs/dbraw/zinc/01/96/02/192019602.db2.gz FXRUAWRYGNDHMM-SECBINFHSA-N 1 0 306.395 1.150 10 0 DDAERO CCNS(=O)(=O)c1ccccc1OCC([NH3+])(CC)CC ZINC000080843223 192195580 /nfs/dbraw/zinc/19/55/80/192195580.db2.gz FCFSDWZAXABAMN-UHFFFAOYSA-N 1 0 300.424 1.881 10 0 DDAERO C[C@H]1CCC[C@]([NH3+])(C(=O)Nc2cccc(S(C)(=O)=O)c2)C1 ZINC000080917953 192200762 /nfs/dbraw/zinc/20/07/62/192200762.db2.gz XQXLLSZPOXKNQZ-XHDPSFHLSA-N 1 0 310.419 1.936 10 0 DDAERO C[NH2+]Cc1cn(-c2cccc(I)c2)nn1 ZINC000081425907 192262824 /nfs/dbraw/zinc/26/28/24/192262824.db2.gz WWTUDIDJVBVESK-UHFFFAOYSA-N 1 0 314.130 1.591 10 0 DDAERO C[NH2+]CCCCCCN1CCn2c(nnc2C(F)(F)F)C1 ZINC000081542814 192287805 /nfs/dbraw/zinc/28/78/05/192287805.db2.gz PYMNRSJWRZOPSY-UHFFFAOYSA-N 1 0 305.348 1.892 10 0 DDAERO CC[NH2+]CCC[C@H](C)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081542791 192288422 /nfs/dbraw/zinc/28/84/22/192288422.db2.gz KLIZSPDDZSYJHK-JTQLQIEISA-N 1 0 305.348 1.891 10 0 DDAERO COc1cc(NC(=O)[C@@]2([NH3+])CCOC2)c(OC)cc1Cl ZINC000085867432 192536550 /nfs/dbraw/zinc/53/65/50/192536550.db2.gz JHHNNJLPMOGGPS-CYBMUJFWSA-N 1 0 300.742 1.414 10 0 DDAERO Ic1cnc(NCC23CC(C2)C[NH2+]3)nc1 ZINC000596027754 356749006 /nfs/dbraw/zinc/74/90/06/356749006.db2.gz WPIRWZDRGDBBKO-UHFFFAOYSA-N 1 0 316.146 1.245 10 0 DDAERO Cn1cc(O[C@@H]2CN(c3cc[nH+]c4ccccc43)C[C@H]2O)cn1 ZINC000624423169 366375857 /nfs/dbraw/zinc/37/58/57/366375857.db2.gz ZIMRFZWEVVFBPF-IAGOWNOFSA-N 1 0 310.357 1.597 10 0 DDAERO CCS(=O)(=O)CCCOc1cc(OC)ccc1C[C@H](C)[NH3+] ZINC000086980058 192604881 /nfs/dbraw/zinc/60/48/81/192604881.db2.gz GNLBJGRGPSDRIS-LBPRGKRZSA-N 1 0 315.435 1.789 10 0 DDAERO CCS(=O)(=O)CCCOc1cc(C[C@H](C)[NH3+])ccc1OC ZINC000086980050 192605155 /nfs/dbraw/zinc/60/51/55/192605155.db2.gz VYDDTKZWAMZHIR-LBPRGKRZSA-N 1 0 315.435 1.789 10 0 DDAERO CC(C)[NH2+]CCn1cc(S(=O)(=O)N2CCCC[C@H]2C)cn1 ZINC000088907372 192652398 /nfs/dbraw/zinc/65/23/98/192652398.db2.gz UFYZKNVFIRUZIF-CYBMUJFWSA-N 1 0 314.455 1.444 10 0 DDAERO Cc1oc(C[NH2+]C(C)C)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000088911411 192653748 /nfs/dbraw/zinc/65/37/48/192653748.db2.gz QLUSHYYBPRXYGO-UHFFFAOYSA-N 1 0 315.439 1.022 10 0 DDAERO CCC[NH2+]Cc1cc(S(=O)(=O)N(C)CC)ccc1OC ZINC000088940505 192661993 /nfs/dbraw/zinc/66/19/93/192661993.db2.gz FGGUWAKUGSLOIC-UHFFFAOYSA-N 1 0 300.424 1.835 10 0 DDAERO CCCN(CC)S(=O)(=O)c1cnn(CCC[NH2+]C(C)C)c1 ZINC000088944788 192665282 /nfs/dbraw/zinc/66/52/82/192665282.db2.gz RCGMVAOVYYQEPN-UHFFFAOYSA-N 1 0 316.471 1.692 10 0 DDAERO CC[NH2+]CCOc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000088976747 192677725 /nfs/dbraw/zinc/67/77/25/192677725.db2.gz GIMITOXRHIVHRT-UHFFFAOYSA-N 1 0 300.424 1.752 10 0 DDAERO C[NH2+]C[C@H]1CCCN(S(=O)(=O)N(C)C2CCC(C)CC2)C1 ZINC000088993824 192686718 /nfs/dbraw/zinc/68/67/18/192686718.db2.gz OYIYHTGIPRQLQD-SHARSMKWSA-N 1 0 317.499 1.673 10 0 DDAERO Cn1cc(CN2CCC[N@H+](Cc3cccc4nccn43)CC2)cn1 ZINC000180111214 199118354 /nfs/dbraw/zinc/11/83/54/199118354.db2.gz PCVQYEIEGPVLSQ-UHFFFAOYSA-N 1 0 324.432 1.776 10 0 DDAERO C[NH2+]CCN(C)C(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C ZINC000237302654 202223241 /nfs/dbraw/zinc/22/32/41/202223241.db2.gz UHTLSOGJMNYYSE-AWEZNQCLSA-N 1 0 309.385 1.258 10 0 DDAERO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000180676942 199195049 /nfs/dbraw/zinc/19/50/49/199195049.db2.gz JNLHGVACAOZHOD-RYUDHWBXSA-N 1 0 315.377 1.367 10 0 DDAERO C[C@@H]1C[C@@H]([NH3+])CN1c1ccc(I)cn1 ZINC000600962493 358359266 /nfs/dbraw/zinc/35/92/66/358359266.db2.gz DSWBBGPKJMEMGX-VXNVDRBHSA-N 1 0 303.147 1.612 10 0 DDAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)c1cccc(C)c1 ZINC000089021029 192700199 /nfs/dbraw/zinc/70/01/99/192700199.db2.gz UXNNLSJNWQFBPE-OAHLLOKOSA-N 1 0 311.451 1.750 10 0 DDAERO CC[NH2+]C[C@H]1CCCN(S(=O)(=O)NCCC(F)(F)F)C1 ZINC000089035243 192711559 /nfs/dbraw/zinc/71/15/59/192711559.db2.gz WMGOVPXBIWHUMW-SNVBAGLBSA-N 1 0 317.377 1.095 10 0 DDAERO CCC(CC)(CC)NS(=O)(=O)c1cnn(CCC[NH2+]C)c1 ZINC000089049309 192720739 /nfs/dbraw/zinc/72/07/39/192720739.db2.gz HCRRWADOWRARHJ-UHFFFAOYSA-N 1 0 316.471 1.740 10 0 DDAERO COc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000089091712 192724471 /nfs/dbraw/zinc/72/44/71/192724471.db2.gz HPUHNCIUBZBRKG-KOLCDFICSA-N 1 0 318.826 1.754 10 0 DDAERO Cc1cccc2[nH]c(CCC(=O)N[C@H]3C[NH2+]CC[C@H]3C)nc21 ZINC000186745715 200002711 /nfs/dbraw/zinc/00/27/11/200002711.db2.gz ISSNFXMLDFBAJB-RISCZKNCSA-N 1 0 300.406 1.918 10 0 DDAERO CCNS(=O)(=O)c1ccccc1OC[C@@H]1CCC[C@H]1C[NH3+] ZINC000089538479 192813515 /nfs/dbraw/zinc/81/35/15/192813515.db2.gz YRUVWYSVTHVIMJ-STQMWFEESA-N 1 0 312.435 1.739 10 0 DDAERO C[C@@H](NC(=O)Nc1ccccc1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000237650129 202317446 /nfs/dbraw/zinc/31/74/46/202317446.db2.gz OSRMKMCMUNCODS-OLZOCXBDSA-N 1 0 304.394 1.312 10 0 DDAERO COc1ccc(F)c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1OC ZINC000188431935 200245461 /nfs/dbraw/zinc/24/54/61/200245461.db2.gz WSXQCKJEMCLSJV-LLVKDONJSA-N 1 0 308.353 1.763 10 0 DDAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000237891246 202381382 /nfs/dbraw/zinc/38/13/82/202381382.db2.gz DJKKUBCFMGBGGY-JKSUJKDBSA-N 1 0 321.465 1.755 10 0 DDAERO CN1CC[C@H](N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)C1=O ZINC000195284012 201372298 /nfs/dbraw/zinc/37/22/98/201372298.db2.gz NUCUHJKFOPKJEU-CVEARBPZSA-N 1 0 302.422 1.066 10 0 DDAERO CS(=O)(=O)[C@H]1CSCCN1c1ccc(F)cc1C(N)=[NH2+] ZINC000090922639 192947135 /nfs/dbraw/zinc/94/71/35/192947135.db2.gz AEVOHCBDUYMNRK-NSHDSACASA-N 1 0 317.411 1.034 10 0 DDAERO C[C@@H]([NH3+])c1csc(N2CCSC[C@@H]2S(C)(=O)=O)n1 ZINC000090924422 192948365 /nfs/dbraw/zinc/94/83/65/192948365.db2.gz HKAPXPAGWISBDF-APPZFPTMSA-N 1 0 307.466 1.087 10 0 DDAERO CCC[NH2+]C[C@H](C)CN1CCSC[C@@H]1S(=O)(=O)CC ZINC000090927740 192950676 /nfs/dbraw/zinc/95/06/76/192950676.db2.gz QCIYOXKNLNSUCV-STQMWFEESA-N 1 0 308.513 1.432 10 0 DDAERO C[C@@H](C(=O)NCc1ccccc1F)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000246778541 202618418 /nfs/dbraw/zinc/61/84/18/202618418.db2.gz PUSSYJWOUBYLKN-ZFWWWQNUSA-N 1 0 323.412 1.093 10 0 DDAERO CC[NH2+]C[C@](C)(CC)CN1CCSC[C@@H]1S(=O)(=O)CC ZINC000090927959 192950421 /nfs/dbraw/zinc/95/04/21/192950421.db2.gz HDQJFONXKFBWQS-KBPBESRZSA-N 1 0 322.540 1.822 10 0 DDAERO COc1cc(CCNC(=O)C2C[NH2+]C2)ccc1OC(F)F ZINC000091408332 193051595 /nfs/dbraw/zinc/05/15/95/193051595.db2.gz VBXQOGLUMWNGNX-UHFFFAOYSA-N 1 0 300.305 1.175 10 0 DDAERO Cc1nn(C)c(C[C@@H](O)C[NH2+]C(C)(C)C)c1Br ZINC000091469836 193060545 /nfs/dbraw/zinc/06/05/45/193060545.db2.gz DXRANBZGLFMXMW-SECBINFHSA-N 1 0 304.232 1.783 10 0 DDAERO CSC1(C[NH3+])CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000091473242 193061779 /nfs/dbraw/zinc/06/17/79/193061779.db2.gz WPBLOSRSATZSQA-UHFFFAOYSA-N 1 0 318.439 1.671 10 0 DDAERO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1noc(CC(C)C)n1)C2 ZINC000091474752 193061800 /nfs/dbraw/zinc/06/18/00/193061800.db2.gz KMXWIOCDNLZQLY-LSDHHAIUSA-N 1 0 322.453 1.811 10 0 DDAERO CCC[C@H](C)NC(=O)C[NH+]1CCC(SC)(C(N)=S)CC1 ZINC000091478534 193061994 /nfs/dbraw/zinc/06/19/94/193061994.db2.gz UDQZMUZOKYUCCG-NSHDSACASA-N 1 0 317.524 1.775 10 0 DDAERO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(SC)(C(N)=S)CC1 ZINC000091488298 193062848 /nfs/dbraw/zinc/06/28/48/193062848.db2.gz WCXNKFYXHSHLHN-QWRGUYRKSA-N 1 0 317.524 1.773 10 0 DDAERO CCc1nn(CC)c(C[C@H]([NH3+])[C@H]2CN(C)CCO2)c1Cl ZINC000091717415 193096895 /nfs/dbraw/zinc/09/68/95/193096895.db2.gz ABLFVFWPBDAWAD-GXFFZTMASA-N 1 0 300.834 1.319 10 0 DDAERO C[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000091752111 193101907 /nfs/dbraw/zinc/10/19/07/193101907.db2.gz RSUDBUQLZRQGLS-ZLKJLUDKSA-N 1 0 308.813 1.438 10 0 DDAERO O=C1N(Cc2ccccc2Br)C[C@@H]2C[NH2+]CCN12 ZINC000091751266 193102284 /nfs/dbraw/zinc/10/22/84/193102284.db2.gz NCRDZAHSWDHNPW-NSHDSACASA-N 1 0 310.195 1.659 10 0 DDAERO CCCN(c1ccc(S(N)(=O)=O)cn1)C1CCC([NH3+])CC1 ZINC000091852807 193118162 /nfs/dbraw/zinc/11/81/62/193118162.db2.gz XYLUPBLNEXHSQS-UHFFFAOYSA-N 1 0 312.439 1.215 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000091989376 193138836 /nfs/dbraw/zinc/13/88/36/193138836.db2.gz FKBZRRQURAOMNX-CHWSQXEVSA-N 1 0 312.483 1.521 10 0 DDAERO CC[C@@](C)(O)C[NH2+]Cc1cnc2cnc(Br)cn12 ZINC000092050247 193148684 /nfs/dbraw/zinc/14/86/84/193148684.db2.gz GHWJUAUGNJCACT-GFCCVEGCSA-N 1 0 313.199 1.742 10 0 DDAERO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]CC1(O)CCOCC1 ZINC000309928294 296093581 /nfs/dbraw/zinc/09/35/81/296093581.db2.gz YBMFSPPFJBBGGT-NWDGAFQWSA-N 1 0 302.415 1.419 10 0 DDAERO C[NH2+]Cc1ccc(F)c(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)c1 ZINC000092113801 193161335 /nfs/dbraw/zinc/16/13/35/193161335.db2.gz KQAKCBZHUVCFQA-GHMZBOCLSA-N 1 0 300.399 1.822 10 0 DDAERO CC(C)[NH2+]Cc1c[nH]nc1S(=O)(=O)N1C[C@H](C)[C@H](C)C1 ZINC000092113620 193161621 /nfs/dbraw/zinc/16/16/21/193161621.db2.gz ZDZIREGRXAZWCB-PHIMTYICSA-N 1 0 300.428 1.184 10 0 DDAERO CC[NH2+]C[C@@H]1CCCN(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)C1 ZINC000092113710 193161680 /nfs/dbraw/zinc/16/16/80/193161680.db2.gz LPIOGMUHGSVWRL-MJBXVCDLSA-N 1 0 303.472 1.141 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(CC)CC(C)(C)O)cc1 ZINC000092984520 193191234 /nfs/dbraw/zinc/19/12/34/193191234.db2.gz HFCOEZAJSXNEEA-UHFFFAOYSA-N 1 0 314.451 1.578 10 0 DDAERO CCOC(=O)[C@H]1C[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H](C1)[NH2+]2 ZINC000261506917 203073183 /nfs/dbraw/zinc/07/31/83/203073183.db2.gz CJVDJLFJSOWZOU-MPZDIEGVSA-N 1 0 312.410 1.973 10 0 DDAERO C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1noc(-c2ccccc2)n1 ZINC000261851832 203134077 /nfs/dbraw/zinc/13/40/77/203134077.db2.gz RNZGLFNYKRJOKK-UHTWSYAYSA-N 1 0 316.361 1.420 10 0 DDAERO COCC[NH2+]C[C@H](c1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000093105692 193204834 /nfs/dbraw/zinc/20/48/34/193204834.db2.gz GJLMNBRTHIYJRV-ZBFHGGJFSA-N 1 0 311.447 1.749 10 0 DDAERO O=C(N[C@@H]1COc2ccccc2C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171637602 284133428 /nfs/dbraw/zinc/13/34/28/284133428.db2.gz ZMZHAFMNDKKUFF-JKSUJKDBSA-N 1 0 315.417 1.870 10 0 DDAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)c1cc(F)cc(F)c1 ZINC000262437566 203293665 /nfs/dbraw/zinc/29/36/65/203293665.db2.gz SKYVZLNJMAYLAZ-UHFFFAOYSA-N 1 0 321.331 1.813 10 0 DDAERO CCS(=O)(=O)CC[C@@H](C[NH2+]CCOC)c1ccccc1F ZINC000093179331 193212041 /nfs/dbraw/zinc/21/20/41/193212041.db2.gz WOTKTDJCSJESJD-ZDUSSCGKSA-N 1 0 317.426 1.970 10 0 DDAERO O=S1(=O)CC[C@H](C2(C[C@@H]3COc4ccccc43)C[NH2+]C2)C1 ZINC000093195363 193214369 /nfs/dbraw/zinc/21/43/69/193214369.db2.gz CTRYNWOMNNWOHA-OLZOCXBDSA-N 1 0 307.415 1.577 10 0 DDAERO CN1C(=[NH2+])NC[C@@H]1c1cc(Br)c2c(c1)OCCO2 ZINC000093357613 193236653 /nfs/dbraw/zinc/23/66/53/193236653.db2.gz FZUVYEJCGCXBPG-SECBINFHSA-N 1 0 312.167 1.522 10 0 DDAERO NC1=[NH+]CC2(CCS(=O)(=O)CC2)N1c1cccc(Cl)c1 ZINC000093379172 193240815 /nfs/dbraw/zinc/24/08/15/193240815.db2.gz IGLZOERHXOFPDV-UHFFFAOYSA-N 1 0 313.810 1.422 10 0 DDAERO CCC[C@@H]([NH3+])C(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1 ZINC000262643558 203363778 /nfs/dbraw/zinc/36/37/78/203363778.db2.gz IJXQHZLMWWQKQY-SNVBAGLBSA-N 1 0 315.395 1.133 10 0 DDAERO CNS(=O)(=O)c1cc(N[C@@H](C)C[C@H]2CCC[NH2+]2)ccc1C ZINC000093464003 193256166 /nfs/dbraw/zinc/25/61/66/193256166.db2.gz SQRNWAACRBQVHH-QWHCGFSZSA-N 1 0 311.451 1.846 10 0 DDAERO CC[C@H](C)N1C(=[NH2+])NC[C@]1(C)c1ccc(S(C)(=O)=O)cc1 ZINC000093380738 193241021 /nfs/dbraw/zinc/24/10/21/193241021.db2.gz AQYIUFXLZPYEMS-XHDPSFHLSA-N 1 0 309.435 1.734 10 0 DDAERO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC(C)(C)S(C)(=O)=O ZINC000093525400 193263654 /nfs/dbraw/zinc/26/36/54/193263654.db2.gz CADORZDRBYHSAL-AGUYFDCRSA-N 1 0 302.484 1.805 10 0 DDAERO COC(=O)[C@]1([NH3+])CCC[C@H]1CCn1cc(C(F)(F)F)cn1 ZINC000093615700 193275790 /nfs/dbraw/zinc/27/57/90/193275790.db2.gz KXMXWIFITNDSBK-CABZTGNLSA-N 1 0 305.300 1.963 10 0 DDAERO C[NH2+][C@]1(CO)CCC[C@@H]1CCn1cc(Br)cn1 ZINC000093618861 193275814 /nfs/dbraw/zinc/27/58/14/193275814.db2.gz IDRPIQKSCUMYMI-PWSUYJOCSA-N 1 0 302.216 1.786 10 0 DDAERO Cc1nc(SCC[C@H]2CCC[C@]2([NH3+])C(N)=O)nc(C)c1C ZINC000093631261 193277310 /nfs/dbraw/zinc/27/73/10/193277310.db2.gz BLRMIZROCMSJAE-IUODEOHRSA-N 1 0 308.451 1.867 10 0 DDAERO Cc1nc(SCC[C@@H]2CCC[C@@]2([NH3+])C(N)=O)nc(C)c1C ZINC000093631262 193277725 /nfs/dbraw/zinc/27/77/25/193277725.db2.gz BLRMIZROCMSJAE-WFASDCNBSA-N 1 0 308.451 1.867 10 0 DDAERO Cc1noc(C)c1C[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697181 193292452 /nfs/dbraw/zinc/29/24/52/193292452.db2.gz DIBUMLRKPIWSLN-LBPRGKRZSA-N 1 0 301.412 1.053 10 0 DDAERO CC[C@@H]([NH2+]C)c1ccn(C[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000093698580 193292797 /nfs/dbraw/zinc/29/27/97/193292797.db2.gz DIWNPNVIZITKSQ-UKRRQHHQSA-N 1 0 313.467 1.830 10 0 DDAERO CS(=O)(=O)N1CCC[C@@H](COc2ccccc2CC[NH3+])C1 ZINC000093700866 193294786 /nfs/dbraw/zinc/29/47/86/193294786.db2.gz JEWUJFVJKJNDET-CYBMUJFWSA-N 1 0 312.435 1.238 10 0 DDAERO CC[NH2+]C[C@@]1(C[C@@H]2CCCN(S(C)(=O)=O)C2)CCOC1 ZINC000093701588 193294814 /nfs/dbraw/zinc/29/48/14/193294814.db2.gz HMHHUKRYFXHDHC-KBPBESRZSA-N 1 0 304.456 1.064 10 0 DDAERO COCC[NH2+]CC1(C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093701646 193295108 /nfs/dbraw/zinc/29/51/08/193295108.db2.gz LYASKXILOIJICI-CYBMUJFWSA-N 1 0 304.456 1.064 10 0 DDAERO CN[C@]1(C(N)=O)CCC[C@H]([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000093756692 193301804 /nfs/dbraw/zinc/30/18/04/193301804.db2.gz MRDVPRWHWRUFCH-WCQYABFASA-N 1 0 307.360 1.647 10 0 DDAERO CCC[NH2+][C@]1(CO)CCC[C@H](SCCS(C)(=O)=O)C1 ZINC000093785989 193307501 /nfs/dbraw/zinc/30/75/01/193307501.db2.gz AOVPKRRGBQIXRS-QWHCGFSZSA-N 1 0 309.497 1.438 10 0 DDAERO Cc1cc(N)cc(C)c1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000093649023 193284945 /nfs/dbraw/zinc/28/49/45/193284945.db2.gz ZQLHYAGCBNFDFF-CQSZACIVSA-N 1 0 311.451 1.600 10 0 DDAERO C[NH2+][C@]1(C(N)=O)CC[C@H](n2nc(C)c(Br)c2C)C1 ZINC000093833776 193315219 /nfs/dbraw/zinc/31/52/19/193315219.db2.gz MOEVRDPAIYSLDH-JOYOIKCWSA-N 1 0 315.215 1.431 10 0 DDAERO CCOC(=O)[C@@]1([NH3+])CC[C@@H](Sc2nnc3ccccn32)C1 ZINC000093852824 193318273 /nfs/dbraw/zinc/31/82/73/193318273.db2.gz MFYFAONODZVSRX-QMTHXVAHSA-N 1 0 306.391 1.635 10 0 DDAERO NC(=O)[C@]1([NH3+])CC[C@H](Sc2ncccc2Br)C1 ZINC000093853872 193320399 /nfs/dbraw/zinc/32/03/99/193320399.db2.gz BRAUCPSHTKZUDC-CPCISQLKSA-N 1 0 316.224 1.672 10 0 DDAERO Cc1nn(C)c(C[C@H]([NH3+])[C@H]2CN(C(C)C)CCO2)c1Cl ZINC000093926100 193328826 /nfs/dbraw/zinc/32/88/26/193328826.db2.gz RPTRSPWJQNSBAT-WCQYABFASA-N 1 0 300.834 1.361 10 0 DDAERO [NH3+]Cc1c[nH]nc1N1C(=O)c2ccc(Br)cc2C1=O ZINC000093966373 193331754 /nfs/dbraw/zinc/33/17/54/193331754.db2.gz MWJARGPDRKIKNT-UHFFFAOYSA-N 1 0 321.134 1.432 10 0 DDAERO CC(C)(C)[NH2+]Cc1c(SC[C@H](O)CO)nc2sccn12 ZINC000093960698 193331845 /nfs/dbraw/zinc/33/18/45/193331845.db2.gz PYOYVORVRLZGHG-SECBINFHSA-N 1 0 315.464 1.729 10 0 DDAERO CN(CCS(C)(=O)=O)[C@H](C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000094297778 193356563 /nfs/dbraw/zinc/35/65/63/193356563.db2.gz VMWOTRSPYMLNEK-GFCCVEGCSA-N 1 0 324.368 1.682 10 0 DDAERO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CC2([NH3+])CCC2)c1 ZINC000094293807 193356637 /nfs/dbraw/zinc/35/66/37/193356637.db2.gz FMVVFTTVSKTVCL-UHFFFAOYSA-N 1 0 316.810 1.954 10 0 DDAERO C[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N(C)CCS(C)(=O)=O ZINC000094297389 193357135 /nfs/dbraw/zinc/35/71/35/193357135.db2.gz ADWVXOOAQPVBIO-GXFFZTMASA-N 1 0 304.843 1.705 10 0 DDAERO C[NH2+]C[C@@H]1CCN(c2nc(C(F)(F)F)ccc2C(N)=O)C1 ZINC000094337421 193361335 /nfs/dbraw/zinc/36/13/35/193361335.db2.gz FENUUZFWZYIDKF-QMMMGPOBSA-N 1 0 302.300 1.245 10 0 DDAERO C[C@H]1CN(c2ccccc2S(=O)(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000094342363 193362869 /nfs/dbraw/zinc/36/28/69/193362869.db2.gz PBLPBWSIANLYGH-AAEUAGOBSA-N 1 0 309.435 1.301 10 0 DDAERO C[C@H](C[NH3+])CN1CCCN(c2ncc(Cl)cc2F)CC1 ZINC000094051886 193341287 /nfs/dbraw/zinc/34/12/87/193341287.db2.gz NKCSCGQTRQTXAS-LLVKDONJSA-N 1 0 300.809 1.981 10 0 DDAERO COCCN(CCC(N)=[NH2+])c1ncc(Br)cc1C ZINC000094050461 193341587 /nfs/dbraw/zinc/34/15/87/193341587.db2.gz OULKLGVAMHQDBA-UHFFFAOYSA-N 1 0 315.215 1.931 10 0 DDAERO Cc1cc(NC(=O)C[C@@H]2C[NH2+]CCO2)ncc1Br ZINC000094063637 193342168 /nfs/dbraw/zinc/34/21/68/193342168.db2.gz WOGZMIOUJFJYOD-SECBINFHSA-N 1 0 314.183 1.470 10 0 DDAERO CCCCN(C(=O)C([NH3+])(CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC000094244532 193354791 /nfs/dbraw/zinc/35/47/91/193354791.db2.gz HEWDWDYVFLWXFT-LBPRGKRZSA-N 1 0 304.456 1.320 10 0 DDAERO C[NH2+]Cc1nc(C)ccc1O[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094634573 193386103 /nfs/dbraw/zinc/38/61/03/193386103.db2.gz DASYZGAZMGRYAE-QWHCGFSZSA-N 1 0 312.435 1.844 10 0 DDAERO CCCN(C1CC[NH2+]CC1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638607 193387892 /nfs/dbraw/zinc/38/78/92/193387892.db2.gz DYUMACQJBCVHIG-GJZGRUSLSA-N 1 0 302.484 1.806 10 0 DDAERO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H](C)[NH+](C)C)cc1N ZINC000094638320 193388345 /nfs/dbraw/zinc/38/83/45/193388345.db2.gz UYTCDXMSXNPLGN-SECBINFHSA-N 1 0 305.831 1.459 10 0 DDAERO CCN(CC)CC[C@H]([NH2+]C)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642943 193389204 /nfs/dbraw/zinc/38/92/04/193389204.db2.gz ZUOFFZCUEVWHMO-KKUMJFAQSA-N 1 0 304.500 1.910 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN(C(=O)c2cccnc2C)CC1 ZINC000094646616 193389590 /nfs/dbraw/zinc/38/95/90/193389590.db2.gz WDGYAXQBIWJSOY-CYBMUJFWSA-N 1 0 306.435 1.213 10 0 DDAERO CC(C)C[NH2+]Cc1ncnn1[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094644072 193389829 /nfs/dbraw/zinc/38/98/29/193389829.db2.gz XVBGCZIXMICRNH-QWHCGFSZSA-N 1 0 314.455 1.552 10 0 DDAERO CCOC(=O)[C@@H]1CSCCN1C(=O)[C@H](C[NH3+])CC(C)C ZINC000094698429 193391539 /nfs/dbraw/zinc/39/15/39/193391539.db2.gz SBGOJCMRQJRZHV-RYUDHWBXSA-N 1 0 302.440 1.115 10 0 DDAERO Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(N)c1 ZINC000094457286 193370918 /nfs/dbraw/zinc/37/09/18/193370918.db2.gz WVECDBDLALLHPZ-STQMWFEESA-N 1 0 309.435 1.434 10 0 DDAERO [NH3+][C@H](Cc1ccc(Cl)cc1Cl)[C@@H]1CN2CCN1CC2 ZINC000094508433 193375556 /nfs/dbraw/zinc/37/55/56/193375556.db2.gz NGMZAEXPWWYUOA-KGLIPLIRSA-N 1 0 300.233 1.863 10 0 DDAERO Cc1ccsc1CNC(=O)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000094876500 193404601 /nfs/dbraw/zinc/40/46/01/193404601.db2.gz NHZKJGIIWKOUQP-AWEZNQCLSA-N 1 0 307.463 1.889 10 0 DDAERO COc1ccc(CC(=O)Nc2nc3c(s2)C[NH2+]CC3)cc1 ZINC000019681394 182136095 /nfs/dbraw/zinc/13/60/95/182136095.db2.gz PUJJRCMIFRDHFF-UHFFFAOYSA-N 1 0 303.387 1.979 10 0 DDAERO NC(=[NH2+])c1ccc(CN2CCN(c3nccs3)CC2)cc1 ZINC000020549568 182230271 /nfs/dbraw/zinc/23/02/71/182230271.db2.gz LQHSBQGLAVXVGH-UHFFFAOYSA-N 1 0 301.419 1.749 10 0 DDAERO CCCOc1ccc(CNCC[NH2+]C[C@H](C)O)cc1OCC ZINC000020968274 182257363 /nfs/dbraw/zinc/25/73/63/182257363.db2.gz ZMSRHXFOVPXVDC-AWEZNQCLSA-N 1 0 310.438 1.934 10 0 DDAERO CNC(=C[N+](=O)[O-])NCCSCc1ccc(C[NH2+]C)o1 ZINC000022056415 182306920 /nfs/dbraw/zinc/30/69/20/182306920.db2.gz WZLBVRXZNDXPPW-XYOKQWHBSA-N 1 0 300.384 1.117 10 0 in-vitro DDAERO C[C@@H]([NH3+])[C@@H](O)c1cc(Br)c2c(c1)OCCCO2 ZINC000036903331 182851961 /nfs/dbraw/zinc/85/19/61/182851961.db2.gz UYQQQBYLCYTKMV-RDDDGLTNSA-N 1 0 302.168 1.991 10 0 DDAERO CN1CC[NH+](CCCC(=O)Nc2ccc(Cl)c(N)c2)CC1 ZINC000040162756 183042954 /nfs/dbraw/zinc/04/29/54/183042954.db2.gz SJJJVMJYUPTVKI-UHFFFAOYSA-N 1 0 310.829 1.888 10 0 DDAERO O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCC[C@H]2CCCC[C@H]21 ZINC000333253772 248953593 /nfs/dbraw/zinc/95/35/93/248953593.db2.gz HJHNALYDXUTEGL-IIAWOOMASA-N 1 0 317.437 1.997 10 0 DDAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccc3c(c2)NC(=O)CS3)C1 ZINC000040633348 183111802 /nfs/dbraw/zinc/11/18/02/183111802.db2.gz RNWWGDQZNRIZKL-KOLCDFICSA-N 1 0 307.375 1.046 10 0 DDAERO CSc1nnc(CNC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])s1 ZINC000333779260 249103821 /nfs/dbraw/zinc/10/38/21/249103821.db2.gz KPVKJZUKKURFFA-DTWKUNHWSA-N 1 0 315.468 1.529 10 0 DDAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccccc2OC(F)(F)F)C1 ZINC000040630275 183110487 /nfs/dbraw/zinc/11/04/87/183110487.db2.gz UTXCOWUWXUWSJO-PSASIEDQSA-N 1 0 304.268 1.901 10 0 DDAERO Cc1ncc(CNC(=O)[C@@H]2CCCN2C2CC[NH2+]CC2)s1 ZINC000040998464 183155445 /nfs/dbraw/zinc/15/54/45/183155445.db2.gz ACSPXIDXNJAJMP-AWEZNQCLSA-N 1 0 308.451 1.284 10 0 DDAERO CC[NH+](CC)CCNC(=O)Cc1cn2cc(Cl)ccc2n1 ZINC000041287422 183183514 /nfs/dbraw/zinc/18/35/14/183183514.db2.gz HIQDEXPBWRRAEN-UHFFFAOYSA-N 1 0 308.813 1.988 10 0 DDAERO CO[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000041111516 183166599 /nfs/dbraw/zinc/16/65/99/183166599.db2.gz GJXASJAOVPYQTO-MNOVXSKESA-N 1 0 303.284 1.814 10 0 DDAERO Cn1ccnc1[C@H](NC(=O)CC[NH+](C)C)c1ccccc1F ZINC000041536436 183199669 /nfs/dbraw/zinc/19/96/69/183199669.db2.gz MYUCACZJJFPIJZ-OAHLLOKOSA-N 1 0 304.369 1.717 10 0 DDAERO CC[NH+](CC)CCNC(=O)CN(C)c1ncnc2ccccc21 ZINC000041499065 183194524 /nfs/dbraw/zinc/19/45/24/183194524.db2.gz RZMPEBFMIDKZSF-UHFFFAOYSA-N 1 0 315.421 1.524 10 0 DDAERO CNC(=O)[C@H](C)Oc1c(Br)cccc1CC[NH3+] ZINC000042412728 183266031 /nfs/dbraw/zinc/26/60/31/183266031.db2.gz UVALKBMWIPSVGI-QMMMGPOBSA-N 1 0 301.184 1.464 10 0 DDAERO CNC(=O)NC(=O)[C@H](C)[NH2+]Cc1cccc(Br)c1 ZINC000042418964 183267569 /nfs/dbraw/zinc/26/75/69/183267569.db2.gz PDPMDGHCCVGWCT-QMMMGPOBSA-N 1 0 314.183 1.383 10 0 DDAERO CN(Cc1ccccc1Br)S(=O)(=O)CCC[NH3+] ZINC000042441257 183270005 /nfs/dbraw/zinc/27/00/05/183270005.db2.gz BZCRUJKOWNNFKU-UHFFFAOYSA-N 1 0 321.240 1.560 10 0 DDAERO CC[N@@H+](CC(=O)Nc1ccccc1OC)C[C@H](C)C(N)=S ZINC000042444637 183270927 /nfs/dbraw/zinc/27/09/27/183270927.db2.gz SQHDNDIEVYYSKP-NSHDSACASA-N 1 0 309.435 1.878 10 0 DDAERO CC[NH2+]C1(c2nc3c(s2)CCC3)CCS(=O)(=O)CC1 ZINC000042333238 183255444 /nfs/dbraw/zinc/25/54/44/183255444.db2.gz LRTKVHUYAMIENB-UHFFFAOYSA-N 1 0 300.449 1.645 10 0 DDAERO C[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)CC(N)=O ZINC000043020448 183328913 /nfs/dbraw/zinc/32/89/13/183328913.db2.gz KERHRJMDRBWYDK-UFBFGSQYSA-N 1 0 300.200 1.255 10 0 DDAERO COC[C@H](O)CN(C)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000043262775 183348773 /nfs/dbraw/zinc/34/87/73/183348773.db2.gz KMJIRRSDYIHTSM-BDAKNGLRSA-N 1 0 323.256 1.450 10 0 DDAERO CC[NH2+][C@H](c1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000043300948 183352702 /nfs/dbraw/zinc/35/27/02/183352702.db2.gz HHKYMVAPKNRQNP-NHYWBVRUSA-N 1 0 313.419 1.789 10 0 DDAERO NC(=O)c1ccsc1NC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000043595799 183374411 /nfs/dbraw/zinc/37/44/11/183374411.db2.gz 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ZINC000105822378 194136878 /nfs/dbraw/zinc/13/68/78/194136878.db2.gz CQBCIFVBCPUGLW-HUUCEWRRSA-N 1 0 310.413 1.982 10 0 DDAERO CC[C@H]1CN(Cc2nc(CC(C)C)no2)CC[N@@H+]1C[C@@H](C)O ZINC000105826698 194137255 /nfs/dbraw/zinc/13/72/55/194137255.db2.gz IMQZCFFTNBIGPM-KGLIPLIRSA-N 1 0 310.442 1.545 10 0 DDAERO CC[C@@H]1CN(CC(=O)N(C)c2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000105825384 194138105 /nfs/dbraw/zinc/13/81/05/194138105.db2.gz HXLAMDSJZWAXPY-HZPDHXFCSA-N 1 0 319.449 1.426 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(Cc2nc3ccccc3n2C)C[C@H]1C ZINC000105824690 194138341 /nfs/dbraw/zinc/13/83/41/194138341.db2.gz SCRXEFRHIXTJFL-ZIAGYGMSSA-N 1 0 302.422 1.460 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(Cc2nc3ccccc3n2C)C[C@@H]1C ZINC000105824694 194139011 /nfs/dbraw/zinc/13/90/11/194139011.db2.gz SCRXEFRHIXTJFL-UONOGXRCSA-N 1 0 302.422 1.460 10 0 DDAERO FC(F)(F)COCC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105800151 194131809 /nfs/dbraw/zinc/13/18/09/194131809.db2.gz UZAJKBSEHWLNKH-UHFFFAOYSA-N 1 0 304.316 1.568 10 0 DDAERO CC[C@@H]1CN(Cc2cn3ccccc3n2)CC[N@@H+]1CCOC ZINC000105836292 194142043 /nfs/dbraw/zinc/14/20/43/194142043.db2.gz YKZCXSWETBOCIB-MRXNPFEDSA-N 1 0 302.422 1.877 10 0 DDAERO Cc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000105871821 194151296 /nfs/dbraw/zinc/15/12/96/194151296.db2.gz CDMNZAUUKWUKIC-HIFRSBDPSA-N 1 0 313.405 1.196 10 0 DDAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)NCc2ccc(F)cc2)c1 ZINC000105881490 194155858 /nfs/dbraw/zinc/15/58/58/194155858.db2.gz LUQHPZRXOKEKDV-CYBMUJFWSA-N 1 0 304.369 1.625 10 0 DDAERO Cc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105882978 194156329 /nfs/dbraw/zinc/15/63/29/194156329.db2.gz PXAJZASCARWWAZ-OAHLLOKOSA-N 1 0 313.405 1.937 10 0 DDAERO Cc1cccc(NC(=O)[C@H](C)N2CCO[C@H](C[NH+](C)C)C2)c1C ZINC000105924915 194171543 /nfs/dbraw/zinc/17/15/43/194171543.db2.gz LWKGSNWLSKPWFL-JKSUJKDBSA-N 1 0 319.449 1.893 10 0 DDAERO Cc1cccc(NC(=O)CN2CCO[C@H](C[NH+](C)C)C2)c1C ZINC000105925009 194170649 /nfs/dbraw/zinc/17/06/49/194170649.db2.gz PZBJFFPCCCBFSC-OAHLLOKOSA-N 1 0 305.422 1.504 10 0 DDAERO C[C@H]1CCC[C@@](C[NH3+])(N(C)S(=O)(=O)c2cncc(F)c2)C1 ZINC000050092940 183772591 /nfs/dbraw/zinc/77/25/91/183772591.db2.gz DKQHSPDQOCGAAH-SMDDNHRTSA-N 1 0 315.414 1.749 10 0 DDAERO CCC[C@@H](C(N)=S)[NH+]1CCN(CCn2ccnc2C)CC1 ZINC000109470061 194266763 /nfs/dbraw/zinc/26/67/63/194266763.db2.gz OKHIWLNPZHHUOO-AWEZNQCLSA-N 1 0 309.483 1.264 10 0 DDAERO C[C@@H](C(N)=S)[NH+]1CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000109471401 194267075 /nfs/dbraw/zinc/26/70/75/194267075.db2.gz RIOWHUYHZBEVEQ-VIFPVBQESA-N 1 0 318.368 1.897 10 0 DDAERO C[C@H](C(N)=S)[NH+]1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000109466461 194267372 /nfs/dbraw/zinc/26/73/72/194267372.db2.gz UALGCVJEUNTUFV-SNVBAGLBSA-N 1 0 310.398 1.650 10 0 DDAERO CCCNS(=O)(=O)c1ccccc1OC[C@H]1CCCC[NH2+]1 ZINC000051883390 183840396 /nfs/dbraw/zinc/84/03/96/183840396.db2.gz PYNJATRSRAMDRU-CYBMUJFWSA-N 1 0 312.435 1.896 10 0 DDAERO Cc1cc2c(ncnc2N2CCN(C[C@H](C)C[NH3+])CC2)s1 ZINC000110779039 194358268 /nfs/dbraw/zinc/35/82/68/194358268.db2.gz OHKYEFGKSPHQOA-LLVKDONJSA-N 1 0 305.451 1.717 10 0 DDAERO CC(C)[NH2+]CCNS(=O)(=O)c1ccccc1Br ZINC000054266736 183932454 /nfs/dbraw/zinc/93/24/54/183932454.db2.gz JRKWZKOZBRKOGW-UHFFFAOYSA-N 1 0 321.240 1.725 10 0 DDAERO COc1ccc([C@@H](CO)NCC[NH+](C)C)c(Cl)c1OC ZINC000110831601 194363158 /nfs/dbraw/zinc/36/31/58/194363158.db2.gz GTWFBRDHAPSSIR-LLVKDONJSA-N 1 0 302.802 1.542 10 0 DDAERO CN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1cccc2cnccc21 ZINC000110927701 194370194 /nfs/dbraw/zinc/37/01/94/194370194.db2.gz RCSISMAEHFWGKP-CYBMUJFWSA-N 1 0 305.403 1.607 10 0 DDAERO CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1CN1CCS(=O)(=O)CC1 ZINC000054559955 183945216 /nfs/dbraw/zinc/94/52/16/183945216.db2.gz YEKMAKGAIGDFIB-ARFHVFGLSA-N 1 0 316.511 1.767 10 0 DDAERO C[NH+](C)CCN1CCN(c2ccc(F)cc2C(N)=S)CC1 ZINC000111032684 194386547 /nfs/dbraw/zinc/38/65/47/194386547.db2.gz PCQWRCPZBWFUER-UHFFFAOYSA-N 1 0 310.442 1.144 10 0 DDAERO CCCNc1ncccc1S(=O)(=O)N(C)CCC[NH+](C)C ZINC000111151262 194396878 /nfs/dbraw/zinc/39/68/78/194396878.db2.gz JAYDRTMZPSGHKQ-UHFFFAOYSA-N 1 0 314.455 1.476 10 0 DDAERO CN(C[C@H]1CCCOC1)S(=O)(=O)CCC1CC[NH2+]CC1 ZINC000111178848 194399013 /nfs/dbraw/zinc/39/90/13/194399013.db2.gz CRZBXVKVRHRGQX-CQSZACIVSA-N 1 0 304.456 1.064 10 0 DDAERO CN(CC1CCOCC1)S(=O)(=O)c1ccc(C[NH3+])s1 ZINC000111179782 194399173 /nfs/dbraw/zinc/39/91/73/194399173.db2.gz GSLJIYQYKFOMNR-UHFFFAOYSA-N 1 0 304.437 1.254 10 0 DDAERO C[NH2+][C@H](Cc1cc(Br)cs1)CS(C)(=O)=O ZINC000060705782 184154460 /nfs/dbraw/zinc/15/44/60/184154460.db2.gz GWPPWPWCIHCEFR-MRVPVSSYSA-N 1 0 312.254 1.686 10 0 DDAERO O=S(=O)(C[C@@H]1CCC[NH2+]1)NCCc1cc(F)cc(F)c1 ZINC000060719417 184155126 /nfs/dbraw/zinc/15/51/26/184155126.db2.gz JCYQNLRHQBJTIK-ZDUSSCGKSA-N 1 0 304.362 1.179 10 0 DDAERO CC[NH2+][C@H](C)CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000061270444 184167333 /nfs/dbraw/zinc/16/73/33/184167333.db2.gz DEBNKVCRFSCANG-SNVBAGLBSA-N 1 0 313.423 1.277 10 0 DDAERO C[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H](C(N)=S)c1ccccc1 ZINC000061616439 184178534 /nfs/dbraw/zinc/17/85/34/184178534.db2.gz FCXNOEIVFWZWBW-GXTWGEPZSA-N 1 0 305.447 1.657 10 0 DDAERO NC(=O)CN(Cc1nc(Cl)ccc1Cl)C1CC[NH2+]CC1 ZINC000061630438 184179750 /nfs/dbraw/zinc/17/97/50/184179750.db2.gz AFZDVNGFDZHFPO-UHFFFAOYSA-N 1 0 317.220 1.428 10 0 DDAERO C[C@H]1CC[C@H](CNS(=O)(=O)c2cc(F)ccc2F)C[NH2+]1 ZINC000062037595 184202723 /nfs/dbraw/zinc/20/27/23/184202723.db2.gz HEOGKYFQFWQIDX-UWVGGRQHSA-N 1 0 304.362 1.631 10 0 DDAERO CCC[NH2+]C[C@@](C)(CCC)CN1CCN(S(C)(=O)=O)CC1 ZINC000062086279 184205310 /nfs/dbraw/zinc/20/53/10/184205310.db2.gz WVGSQPRVUACDSQ-OAHLLOKOSA-N 1 0 319.515 1.370 10 0 DDAERO CCC[C@@](C)(C[NH2+]C(C)C)CN1CCN(S(C)(=O)=O)CC1 ZINC000062086280 184205313 /nfs/dbraw/zinc/20/53/13/184205313.db2.gz GMMFZYOKVDTGRI-HNNXBMFYSA-N 1 0 319.515 1.368 10 0 DDAERO [NH3+]C[C@@H](c1ccc(Br)cc1)N1CCNC(=O)CC1 ZINC000062099579 184206054 /nfs/dbraw/zinc/20/60/54/184206054.db2.gz ILOYOEPEKGOHRL-LBPRGKRZSA-N 1 0 312.211 1.271 10 0 DDAERO CCN(CC)C(=O)N1CCN(C(=O)CC[NH+]2CCCC2)CC1 ZINC000062127473 184207344 /nfs/dbraw/zinc/20/73/44/184207344.db2.gz MPIVQOQDGFPJQF-UHFFFAOYSA-N 1 0 310.442 1.078 10 0 DDAERO COCC[NH2+]Cc1c(Cl)cccc1N1CCC[C@H]1C(N)=O ZINC000062735001 184251063 /nfs/dbraw/zinc/25/10/63/184251063.db2.gz NVGFIANFHYFCME-AWEZNQCLSA-N 1 0 311.813 1.530 10 0 DDAERO O=C1CCCN1c1ccc(C[NH2+][C@@H]2CCS(=O)(=O)C2)cc1 ZINC000062961223 184262275 /nfs/dbraw/zinc/26/22/75/184262275.db2.gz SJALUOPZTRYUIP-CYBMUJFWSA-N 1 0 308.403 1.090 10 0 DDAERO CC[C@@]1(C(=O)N(CCOC)[C@H]2CCSC2)CCC[NH2+]C1 ZINC000062856997 184257110 /nfs/dbraw/zinc/25/71/10/184257110.db2.gz ZKUHISIKAZPAMR-DZGCQCFKSA-N 1 0 300.468 1.747 10 0 DDAERO Cc1ccc(S(=O)(=O)NOCC[NH+]2CCCC2)cc1Cl ZINC000062578401 184244428 /nfs/dbraw/zinc/24/44/28/184244428.db2.gz WXVIZANGPKTLKT-UHFFFAOYSA-N 1 0 318.826 1.954 10 0 DDAERO O=S(=O)(C[C@H]1CCCC[NH2+]1)N1CCCc2ccccc2C1 ZINC000062946222 184262142 /nfs/dbraw/zinc/26/21/42/184262142.db2.gz FQCBHSFWMGSORI-MRXNPFEDSA-N 1 0 308.447 1.907 10 0 DDAERO CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000063212218 184278375 /nfs/dbraw/zinc/27/83/75/184278375.db2.gz OHXNUEXIWVWBSQ-ZIAGYGMSSA-N 1 0 310.419 1.480 10 0 DDAERO c1csc(CC[NH2+]CCN2CC[C@H](N3CCOCC3)C2)c1 ZINC000062974991 184263693 /nfs/dbraw/zinc/26/36/93/184263693.db2.gz DTUWFHANPCTYEI-HNNXBMFYSA-N 1 0 309.479 1.287 10 0 DDAERO CN(CC[NH+]1CCCC1)C[C@H](O)c1ccc(C(N)=S)cc1 ZINC000063051984 184268736 /nfs/dbraw/zinc/26/87/36/184268736.db2.gz CHCNLVYJVPZZGF-HNNXBMFYSA-N 1 0 307.463 1.382 10 0 DDAERO Cc1nn(Cc2nc3c(cnn3C)c(NN)[nH+]2)c(C)c1Cl ZINC000063084239 184269873 /nfs/dbraw/zinc/26/98/73/184269873.db2.gz BCVMJKJBDMPTJI-UHFFFAOYSA-N 1 0 306.761 1.164 10 0 DDAERO [NH3+]CCCN(c1ccccc1F)S(=O)(=O)C[C@H]1CCCO1 ZINC000063154843 184274309 /nfs/dbraw/zinc/27/43/09/184274309.db2.gz UWHKRCQESGSWNG-GFCCVEGCSA-N 1 0 316.398 1.490 10 0 DDAERO CN(C1(C[NH3+])CCCCCC1)S(=O)(=O)C[C@@H]1CCCO1 ZINC000063154986 184274385 /nfs/dbraw/zinc/27/43/85/184274385.db2.gz IDTOYEPECSICNC-ZDUSSCGKSA-N 1 0 304.456 1.479 10 0 DDAERO [NH3+][C@@H]1CCC[C@H]1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000063174879 184276032 /nfs/dbraw/zinc/27/60/32/184276032.db2.gz PXRKVRQRKBFFKU-NXEZZACHSA-N 1 0 308.325 1.864 10 0 DDAERO O=S(=O)(C1CCOCC1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063189812 184277155 /nfs/dbraw/zinc/27/71/55/184277155.db2.gz CBULCSGNTKIKMY-UONOGXRCSA-N 1 0 302.440 1.102 10 0 DDAERO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(Cc2cnc3cnccn23)C1 ZINC000286340931 218927526 /nfs/dbraw/zinc/92/75/26/218927526.db2.gz KHHAXNMFBGNPJB-HOCLYGCPSA-N 1 0 315.421 1.414 10 0 DDAERO COC(=O)C[C@@H](NC(=O)[C@H](C)[NH3+])c1ccc(Cl)c(F)c1 ZINC000157767659 197213372 /nfs/dbraw/zinc/21/33/72/197213372.db2.gz QNUAFBNHAWZMDW-WRWORJQWSA-N 1 0 302.733 1.547 10 0 DDAERO COc1cc([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)cc(OC)c1OC ZINC000299517180 533127659 /nfs/dbraw/zinc/12/76/59/533127659.db2.gz PIEKPNLAXKIOCE-WCQYABFASA-N 1 0 322.405 1.984 10 0 DDAERO C[C@@H]([NH3+])C(=O)NCc1ccc(OCCOc2ccccc2)nc1 ZINC000157191749 197169472 /nfs/dbraw/zinc/16/94/72/197169472.db2.gz WFBJBBJJAAWQOP-CYBMUJFWSA-N 1 0 315.373 1.503 10 0 DDAERO C[NH+](C)C[C@@H]1CN(CC(=O)Nc2ccc(F)c(F)c2)CCO1 ZINC000155324063 197044577 /nfs/dbraw/zinc/04/45/77/197044577.db2.gz AHUKQWFANJSMFA-GFCCVEGCSA-N 1 0 313.348 1.166 10 0 DDAERO CCC[C@@H](C(=O)N(C)CC(C)(C)CN1CCOCC1)[NH+](C)C ZINC000120425786 195164801 /nfs/dbraw/zinc/16/48/01/195164801.db2.gz PGKCQWMGHPFPMH-HNNXBMFYSA-N 1 0 313.486 1.534 10 0 DDAERO CCN1[C@@H]2CC[N@H+](C)CC[C@H]2Oc2ccccc2S1(=O)=O ZINC000248104857 257109291 /nfs/dbraw/zinc/10/92/91/257109291.db2.gz FRFREFZVDVREFS-CHWSQXEVSA-N 1 0 310.419 1.552 10 0 DDAERO C[NH+](C)CC(=O)N1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC000247985241 257113247 /nfs/dbraw/zinc/11/32/47/257113247.db2.gz KJCZYSURIOBNCG-WMLDXEAASA-N 1 0 319.405 1.172 10 0 DDAERO CC[N@@H+]1CCO[C@H]2CN(Cc3cccnc3OC)CC[C@H]2C1 ZINC000247880595 257115143 /nfs/dbraw/zinc/11/51/43/257115143.db2.gz PUHUOJYPBFPRNC-HOCLYGCPSA-N 1 0 305.422 1.633 10 0 DDAERO COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccsc2)O1 ZINC000247816135 257116776 /nfs/dbraw/zinc/11/67/76/257116776.db2.gz BGLZBPSUZBFQDA-MCIONIFRSA-N 1 0 310.419 1.243 10 0 DDAERO O=C([C@@H]1COC[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]21)N1CCCC1 ZINC000247801037 257117448 /nfs/dbraw/zinc/11/74/48/257117448.db2.gz VOEICDFDARUGTA-MELADBBJSA-N 1 0 321.446 1.460 10 0 DDAERO O=C(NC1CC1)[C@@H]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2O1 ZINC000247735010 257118566 /nfs/dbraw/zinc/11/85/66/257118566.db2.gz JZLFVIGFEHWLGX-VNQPRFMTSA-N 1 0 301.390 1.340 10 0 DDAERO O=C(Nc1cccnc1)[C@@H]1CO[C@H]2C[N@@H+](C3CCOCC3)C[C@H]21 ZINC000247517542 257119542 /nfs/dbraw/zinc/11/95/42/257119542.db2.gz WEWVRURSLPUSCG-XHSDSOJGSA-N 1 0 317.389 1.146 10 0 DDAERO Cc1cccc(C[N@H+]2C[C@@H]3CCN(CC[NH+](C)C)C[C@H]3C2)n1 ZINC000503719886 257209002 /nfs/dbraw/zinc/20/90/02/257209002.db2.gz OEEVFVJFMQCYBN-IRXDYDNUSA-N 1 0 302.466 1.705 10 0 DDAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccccc1F ZINC000121817706 195353613 /nfs/dbraw/zinc/35/36/13/195353613.db2.gz UTNAXWSSOBPVJB-LBPRGKRZSA-N 1 0 309.385 1.857 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH2+]C2CC([N@H+](CC)CC(=O)[O-])C2)C12CCC2 ZINC000263478569 286277132 /nfs/dbraw/zinc/27/71/32/286277132.db2.gz FTKAISMCQSYDKQ-NEXFUWMNSA-N 1 0 310.438 1.861 10 0 DDAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc(Br)cn1 ZINC000071190453 406833284 /nfs/dbraw/zinc/83/32/84/406833284.db2.gz HVZPGCXVWPCWHW-JTQLQIEISA-N 1 0 312.211 1.868 10 0 DDAERO Cc1ccc(C)c(C[N@@H+](CCN2CCOCC2)C[C@H](C)O)c1 ZINC000036103827 406975298 /nfs/dbraw/zinc/97/52/98/406975298.db2.gz LZTLFKWWEWSMGA-KRWDZBQOSA-N 1 0 306.450 1.818 10 0 DDAERO C[C@H](NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1cccs1 ZINC000049172941 407117044 /nfs/dbraw/zinc/11/70/44/407117044.db2.gz LFJWIYHGAHPFMO-QWHCGFSZSA-N 1 0 311.451 1.955 10 0 DDAERO CC(C)[N@H+](C)CCNC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000101961764 407318182 /nfs/dbraw/zinc/31/81/82/407318182.db2.gz ILZRSVAZQQIYAE-ZDUSSCGKSA-N 1 0 306.410 1.653 10 0 DDAERO CC[C@](C)(O)C[NH+]1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000123393025 407327715 /nfs/dbraw/zinc/32/77/15/407327715.db2.gz ZENUKMIBMSJNTG-KRWDZBQOSA-N 1 0 324.396 1.510 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000124829134 407370927 /nfs/dbraw/zinc/37/09/27/407370927.db2.gz DZHQMDVPJCJQJD-SWLSCSKDSA-N 1 0 307.442 1.775 10 0 DDAERO CCC[C@H](C(=O)NCC(=O)NCCc1ccccc1)[NH+](C)C ZINC000125882673 407400527 /nfs/dbraw/zinc/40/05/27/407400527.db2.gz NCTFOUCDUNXDAI-OAHLLOKOSA-N 1 0 305.422 1.192 10 0 DDAERO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)c1 ZINC000112548926 407431941 /nfs/dbraw/zinc/43/19/41/407431941.db2.gz ARURDEZGADYHJR-WBMJQRKESA-N 1 0 319.405 1.136 10 0 DDAERO CCOCCN1CCN(C(=O)c2cnn3c2CCCC3)C[C@@H]1C ZINC000127485449 407437840 /nfs/dbraw/zinc/43/78/40/407437840.db2.gz FQLKMYNTCRLJLD-AWEZNQCLSA-N 1 0 320.437 1.402 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C)Cc1ccc(F)cc1 ZINC000113518450 407510685 /nfs/dbraw/zinc/51/06/85/407510685.db2.gz WUNJYSLATIIUIS-RHSMWYFYSA-N 1 0 319.424 1.953 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccccc2SCC(N)=O)C1 ZINC000170826771 407517877 /nfs/dbraw/zinc/51/78/77/407517877.db2.gz FIPGLOURPPRGIU-NSHDSACASA-N 1 0 322.434 1.432 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2cccc3ccccc32)C1 ZINC000170845186 407528100 /nfs/dbraw/zinc/52/81/00/407528100.db2.gz BDJVPPHABWBLJR-CQSZACIVSA-N 1 0 311.385 1.941 10 0 DDAERO COc1cc(CCC(=O)N2CC[C@@H]([NH+](C)C)C2)cc(OC)c1 ZINC000170858552 407530643 /nfs/dbraw/zinc/53/06/43/407530643.db2.gz UAXZJFRJHWMYRO-CQSZACIVSA-N 1 0 306.406 1.799 10 0 DDAERO CN1CCO[C@H](CNC(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000128408718 407532660 /nfs/dbraw/zinc/53/26/60/407532660.db2.gz CEWYVEQKCBXQGH-SECBINFHSA-N 1 0 302.733 1.245 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)C1 ZINC000170862150 407536156 /nfs/dbraw/zinc/53/61/56/407536156.db2.gz KHXGTVKJHKPZBB-CVEARBPZSA-N 1 0 315.417 1.198 10 0 DDAERO C[C@H]1CN(S(=O)(=O)c2cccc(Br)c2)C[C@H]1[NH3+] ZINC000261543467 407539529 /nfs/dbraw/zinc/53/95/29/407539529.db2.gz STXLAOFOARMRFV-GZMMTYOYSA-N 1 0 319.224 1.417 10 0 DDAERO CC[N@H+](CC(=O)N1CCC(Nc2cccnn2)CC1)C1CC1 ZINC000152266343 407596949 /nfs/dbraw/zinc/59/69/49/407596949.db2.gz PFPCABOSULDXGN-UHFFFAOYSA-N 1 0 303.410 1.364 10 0 DDAERO COCCOc1cccc(CNC(=O)[C@H]([NH3+])C2CCOCC2)c1 ZINC000261899184 407659896 /nfs/dbraw/zinc/65/98/96/407659896.db2.gz WGMNVHKFIWHBOS-MRXNPFEDSA-N 1 0 322.405 1.082 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(N(C)C)n1 ZINC000152537570 407651067 /nfs/dbraw/zinc/65/10/67/407651067.db2.gz IFZQSVHPSWPERI-QWHCGFSZSA-N 1 0 303.410 1.848 10 0 DDAERO C[C@@H](CNC(=O)[C@@H]([NH3+])C1CCOCC1)c1ccc(F)cc1F ZINC000261922700 407673283 /nfs/dbraw/zinc/67/32/83/407673283.db2.gz YXDRDTBTTSENLS-BONVTDFDSA-N 1 0 312.360 1.938 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1n[nH]c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000262062249 407729392 /nfs/dbraw/zinc/72/93/92/407729392.db2.gz ISIPHGWBZFWMOX-GFCCVEGCSA-N 1 0 317.393 1.681 10 0 DDAERO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C1([NH3+])CCOCC1 ZINC000261934954 407677586 /nfs/dbraw/zinc/67/75/86/407677586.db2.gz WRZZEKNGGRSCPW-UHFFFAOYSA-N 1 0 319.449 1.651 10 0 DDAERO CNC(=O)c1ccn([C@@H]2CCC[N@H+](Cc3cnc(N)s3)C2)n1 ZINC000261971094 407694559 /nfs/dbraw/zinc/69/45/59/407694559.db2.gz IGWSZZBTEKPKNF-SNVBAGLBSA-N 1 0 320.422 1.119 10 0 DDAERO C[C@@H](COCc1ccccc1)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000179066566 407709860 /nfs/dbraw/zinc/70/98/60/407709860.db2.gz UWPCWXVHWALKRL-WMLDXEAASA-N 1 0 323.437 1.204 10 0 DDAERO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H](C)C(C)C ZINC000186600843 407716208 /nfs/dbraw/zinc/71/62/08/407716208.db2.gz PYOXNLBOXVREMD-NSHDSACASA-N 1 0 316.471 1.384 10 0 DDAERO [NH3+][C@H](C(=O)N[C@H]1C[C@H]1c1c(F)cccc1F)C1CCOCC1 ZINC000262105234 407740074 /nfs/dbraw/zinc/74/00/74/407740074.db2.gz VHVFAZATBOANRO-DGFSRKRXSA-N 1 0 310.344 1.691 10 0 DDAERO COc1ccc(CN2C[C@H]([NH3+])[C@@H](C)C2)c(Br)c1O ZINC000262120451 407745508 /nfs/dbraw/zinc/74/55/08/407745508.db2.gz XFZAGFYKCKRXDW-WPRPVWTQSA-N 1 0 315.211 1.942 10 0 DDAERO CCc1ccc2c(C[N@@H+]3C[C@H](O)C[C@@H]3CO)cc(=O)oc2c1 ZINC000179185239 407750643 /nfs/dbraw/zinc/75/06/43/407750643.db2.gz OPKVITLJFAXYRZ-ZIAGYGMSSA-N 1 0 303.358 1.283 10 0 DDAERO CC(C)Oc1ccccc1CC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116783316 407774391 /nfs/dbraw/zinc/77/43/91/407774391.db2.gz BITUWAGNOBWTDD-MRXNPFEDSA-N 1 0 320.433 1.805 10 0 DDAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3ncnn3C2)C1 ZINC000132304822 407779593 /nfs/dbraw/zinc/77/95/93/407779593.db2.gz VCLNBKRJGIRXJO-NEPJUHHUSA-N 1 0 307.398 1.192 10 0 DDAERO COC[C@@H]([NH3+])C(=O)NCc1ccc(-c2ccc(OC)cc2)cc1 ZINC000262304445 407789923 /nfs/dbraw/zinc/78/99/23/407789923.db2.gz OIDTWYKRYHJFLH-QGZVFWFLSA-N 1 0 314.385 1.952 10 0 DDAERO Cc1ccc(S(=O)(=O)N2CCO[C@@H](C[NH+](C)C)C2)c(C)c1 ZINC000116900733 407795692 /nfs/dbraw/zinc/79/56/92/407795692.db2.gz WYTRZMQYXGCBCO-AWEZNQCLSA-N 1 0 312.435 1.255 10 0 DDAERO CS(=O)(=O)c1cccnc1NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262394498 407822027 /nfs/dbraw/zinc/82/20/27/407822027.db2.gz BQQHXMNXDNCHET-AWEZNQCLSA-N 1 0 317.414 1.784 10 0 DDAERO CCC[C@@H]([NH3+])C(=O)Nc1cc(C(N)=O)ccc1N1CCCC1 ZINC000262432999 407833601 /nfs/dbraw/zinc/83/36/01/407833601.db2.gz KMKZOVCQRHSCCO-GFCCVEGCSA-N 1 0 304.394 1.452 10 0 DDAERO C[C@@H]([NH3+])CCNC(=O)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC000262527470 407859504 /nfs/dbraw/zinc/85/95/04/407859504.db2.gz CINRXWLUNPTHSH-CYBMUJFWSA-N 1 0 317.433 1.960 10 0 DDAERO C[C@@H]1C[N@H+](Cc2c[nH]nc2C(C)(C)C)C[C@@H]1N1CCOCC1 ZINC000180232888 407865191 /nfs/dbraw/zinc/86/51/91/407865191.db2.gz KPFCZDXSNYGFLL-HIFRSBDPSA-N 1 0 306.454 1.860 10 0 DDAERO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCN(Cc3ccncc3)CC2)C1 ZINC000238008912 407869414 /nfs/dbraw/zinc/86/94/14/407869414.db2.gz BEFTVXANLSGLEI-CVEARBPZSA-N 1 0 302.422 1.243 10 0 DDAERO NC(=O)c1ccc(N2CCCC2)c(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000262615441 407882511 /nfs/dbraw/zinc/88/25/11/407882511.db2.gz KUMSGWFFUUEHBQ-STQMWFEESA-N 1 0 316.405 1.452 10 0 DDAERO CC(C)OC[C@@H](O)C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000153769123 407898287 /nfs/dbraw/zinc/89/82/87/407898287.db2.gz ANVNPFDBEMDVCV-OCCSQVGLSA-N 1 0 315.435 1.527 10 0 DDAERO CC(C)[N@H+]1C[C@H](NS(=O)(=O)c2cccc(F)c2F)[C@@H](C)C1 ZINC000173885022 407901775 /nfs/dbraw/zinc/90/17/75/407901775.db2.gz YZUWZZZFEUCRCV-JQWIXIFHSA-N 1 0 318.389 1.972 10 0 DDAERO C[C@H](NC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccc(F)cc1 ZINC000262490767 407848551 /nfs/dbraw/zinc/84/85/51/407848551.db2.gz KYHXEJSKARRPLL-YUDUHTQSSA-N 1 0 305.397 1.672 10 0 DDAERO CNC(=O)c1cccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000119005249 407973087 /nfs/dbraw/zinc/97/30/87/407973087.db2.gz UGPDZJPBMNIXBC-WFASDCNBSA-N 1 0 318.421 1.896 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2ccc3c(c2)COC3)CCO1 ZINC000181288383 407976060 /nfs/dbraw/zinc/97/60/60/407976060.db2.gz DUIBPKKEHGYZLA-HNNXBMFYSA-N 1 0 305.378 1.511 10 0 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VZTOEZGRMVLCMW-SNVBAGLBSA-N 1 0 300.284 1.416 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2cn(C(C)(C)C)nn2)C[C@H]1CC ZINC000191337575 163182219 /nfs/dbraw/zinc/18/22/19/163182219.db2.gz BJJGBJBCRWOZLT-MRXNPFEDSA-N 1 0 323.485 1.966 10 0 DDAERO COCCN(C)c1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cn1 ZINC000191367388 163182285 /nfs/dbraw/zinc/18/22/85/163182285.db2.gz FSXJHRFWPUXIOX-NVXWUHKLSA-N 1 0 318.465 1.833 10 0 DDAERO CCn1cnnc1[C@@H]1CCC[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000191979726 163211608 /nfs/dbraw/zinc/21/16/08/163211608.db2.gz WYDJVRRQWOTOAY-KGLIPLIRSA-N 1 0 318.421 1.963 10 0 DDAERO CCOCC[N@@H+]1CCN([C@@H](C)c2nnnn2C2CC2)C[C@H]1CC ZINC000192001931 163211714 /nfs/dbraw/zinc/21/17/14/163211714.db2.gz IYTHOOBBEKEJAT-UONOGXRCSA-N 1 0 322.457 1.502 10 0 DDAERO Cc1cccc(OCCNC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000194736328 163295673 /nfs/dbraw/zinc/29/56/73/163295673.db2.gz PVODYVRJYDJXOO-HNNXBMFYSA-N 1 0 307.394 1.004 10 0 DDAERO COC(=O)c1cccc(C(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000195055929 163303724 /nfs/dbraw/zinc/30/37/24/163303724.db2.gz NBAOONNCARGXHE-HNNXBMFYSA-N 1 0 302.374 1.784 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC000248620624 163602189 /nfs/dbraw/zinc/60/21/89/163602189.db2.gz MWLGGPPHJOSASD-LEOABGAYSA-N 1 0 311.470 1.908 10 0 DDAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000248662162 163605715 /nfs/dbraw/zinc/60/57/15/163605715.db2.gz XYNLGFHRLKCYRS-GJZGRUSLSA-N 1 0 311.426 1.810 10 0 DDAERO [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)Cc1noc2ccccc12 ZINC000261704800 163688370 /nfs/dbraw/zinc/68/83/70/163688370.db2.gz OREWKBUJQWGCQA-PWSUYJOCSA-N 1 0 309.391 1.375 10 0 DDAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccc2c(c1)NC(=O)CO2 ZINC000261771394 163700714 /nfs/dbraw/zinc/70/07/14/163700714.db2.gz OLEQRILFNFZHAG-CYZMBNFOSA-N 1 0 317.389 1.570 10 0 DDAERO C[C@H]([NH3+])CC(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 ZINC000261831008 163710844 /nfs/dbraw/zinc/71/08/44/163710844.db2.gz NEDJOYUYUSJYFL-SMDDNHRTSA-N 1 0 320.393 1.663 10 0 DDAERO NC(=O)CCOc1ccc(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000261934489 163732566 /nfs/dbraw/zinc/73/25/66/163732566.db2.gz TWFWPQOJQBAGAI-DOMZBBRYSA-N 1 0 319.405 1.787 10 0 DDAERO C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000262296215 163801607 /nfs/dbraw/zinc/80/16/07/163801607.db2.gz YSOWITLFUPDCSM-LLVKDONJSA-N 1 0 309.360 1.389 10 0 DDAERO C[C@@H](C(=O)Nc1cccc(CN2CCOCC2)c1)C1C[NH2+]C1 ZINC000262365624 163814724 /nfs/dbraw/zinc/81/47/24/163814724.db2.gz KYWSFMBTSNDFHS-CYBMUJFWSA-N 1 0 303.406 1.313 10 0 DDAERO CC(=O)Nc1ccc(S[C@H](C)C(=O)NCC[C@@H](C)[NH3+])cc1 ZINC000262533465 163845570 /nfs/dbraw/zinc/84/55/70/163845570.db2.gz LBWWKDMQNPWRDO-GHMZBOCLSA-N 1 0 309.435 1.979 10 0 DDAERO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCCC[C@]3(C)[NH3+])CCO2)cn1 ZINC000263154565 163922477 /nfs/dbraw/zinc/92/24/77/163922477.db2.gz DGWNEUWUSXDMKM-DZKIICNBSA-N 1 0 306.410 1.228 10 0 DDAERO CC(C)n1cc([C@@]2(O)CC[N@H+](CCOc3ccccc3)C2)nn1 ZINC000284538346 409349555 /nfs/dbraw/zinc/34/95/55/409349555.db2.gz DSHVSBRUOLBSNH-QGZVFWFLSA-N 1 0 316.405 1.831 10 0 DDAERO Cc1ccccc1C[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000344904146 409548470 /nfs/dbraw/zinc/54/84/70/409548470.db2.gz YPJVQCKTHVGOFO-GOSISDBHSA-N 1 0 302.418 1.944 10 0 DDAERO CN1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)CC1 ZINC000338368030 409942672 /nfs/dbraw/zinc/94/26/72/409942672.db2.gz FODWRTPNPJWPNC-BRWVUGGUSA-N 1 0 323.481 1.166 10 0 DDAERO Cn1cc([C@@H](CNc2ncc(C(N)=O)cc2Cl)[NH+](C)C)cn1 ZINC000301274615 410689818 /nfs/dbraw/zinc/68/98/18/410689818.db2.gz IFOJYGNTCDXSSX-GFCCVEGCSA-N 1 0 322.800 1.282 10 0 DDAERO Cc1cccc(NC(=O)NCC(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC000131176222 196146561 /nfs/dbraw/zinc/14/65/61/196146561.db2.gz PFPQLSGAGNOMDV-AWEZNQCLSA-N 1 0 304.394 1.456 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H](C)Cn1cccn1 ZINC000131706330 196192998 /nfs/dbraw/zinc/19/29/98/196192998.db2.gz XFEIUHIYOMNQCG-LSDHHAIUSA-N 1 0 309.458 1.795 10 0 DDAERO O[C@@H]1C[NH2+][C@H](c2nc(-c3cc(Br)cs3)no2)C1 ZINC000131769340 196197235 /nfs/dbraw/zinc/19/72/35/196197235.db2.gz ACDDMKDLZAPALG-BQBZGAKWSA-N 1 0 316.180 1.956 10 0 DDAERO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(Br)cn1C ZINC000131960045 196214446 /nfs/dbraw/zinc/21/44/46/196214446.db2.gz RHUWVGSYDPOXQS-IUCAKERBSA-N 1 0 300.200 1.597 10 0 DDAERO C[C@H]([NH3+])[C@@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000132465314 196258007 /nfs/dbraw/zinc/25/80/07/196258007.db2.gz YBVMQHUJWWCVHF-VHSXEESVSA-N 1 0 304.362 1.856 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)c2ccc(OC)cc2)C1 ZINC000194639665 418546944 /nfs/dbraw/zinc/54/69/44/418546944.db2.gz UKXCAFABVLGJFH-CQSZACIVSA-N 1 0 319.405 1.026 10 0 DDAERO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O ZINC000375467169 418643188 /nfs/dbraw/zinc/64/31/88/418643188.db2.gz XLJQCIFXJXHLLW-VMUDFCTBSA-N 1 0 312.454 1.542 10 0 DDAERO C[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000333633506 287534674 /nfs/dbraw/zinc/53/46/74/287534674.db2.gz SXEXTIVRMCCITQ-RGCMKSIDSA-N 1 0 324.469 1.449 10 0 DDAERO Cc1cccnc1CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C(F)(F)F ZINC000299744011 229381358 /nfs/dbraw/zinc/38/13/58/229381358.db2.gz NHGLOBIXYFZEPG-GHMZBOCLSA-N 1 0 301.312 1.746 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ncc(OC)cn1 ZINC000645729090 423157745 /nfs/dbraw/zinc/15/77/45/423157745.db2.gz VXPVXJFWQJSHIO-OLZOCXBDSA-N 1 0 304.394 1.574 10 0 DDAERO CN(C)C(=O)c1ccc(NC[C@@H](c2cnn(C)c2)[NH+](C)C)nc1 ZINC000301251726 229587630 /nfs/dbraw/zinc/58/76/30/229587630.db2.gz ACBCHNNQSUSHNR-AWEZNQCLSA-N 1 0 316.409 1.232 10 0 DDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)COc1ccc(Br)cc1 ZINC000423633516 420106969 /nfs/dbraw/zinc/10/69/69/420106969.db2.gz BKQRPESXJDPHSX-BXKDBHETSA-N 1 0 313.195 1.776 10 0 DDAERO C[C@@H]1CC[C@@H](C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)O1 ZINC000531655164 421641879 /nfs/dbraw/zinc/64/18/79/421641879.db2.gz HPNFWHFLOSNKEL-UWWQBHOKSA-N 1 0 318.417 1.307 10 0 DDAERO COC[C@@H]([NH3+])C(=O)NCc1cc(Cl)ccc1Br ZINC000572640053 421808174 /nfs/dbraw/zinc/80/81/74/421808174.db2.gz SKUFNYOLJDWLJY-SNVBAGLBSA-N 1 0 321.602 1.692 10 0 DDAERO CO[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)[C@@](C)(C[NH3+])C1 ZINC000630361581 422047214 /nfs/dbraw/zinc/04/72/14/422047214.db2.gz KHQNMZSXVZITKE-WCQYABFASA-N 1 0 318.826 1.467 10 0 DDAERO CCn1cc(CC[N@@H+]2CC[C@](O)(c3cn(C(C)C)nn3)C2)cn1 ZINC000583621237 422208263 /nfs/dbraw/zinc/20/82/63/422208263.db2.gz BQQJDSONXGDBCG-MRXNPFEDSA-N 1 0 318.425 1.211 10 0 DDAERO NC(=O)c1ccc(NC(=O)[C@H](C[NH3+])Cc2ccccc2)c(F)c1 ZINC000584660056 422301420 /nfs/dbraw/zinc/30/14/20/422301420.db2.gz SBWSKOPXJDTAGT-ZDUSSCGKSA-N 1 0 315.348 1.681 10 0 DDAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCC[C@@H]1CCCO1 ZINC000637903591 422462975 /nfs/dbraw/zinc/46/29/75/422462975.db2.gz QNYUQJSHMKHDSS-JKSUJKDBSA-N 1 0 305.422 1.131 10 0 DDAERO C[C@@H](NC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1)[C@H]1CCCO1 ZINC000637930345 422485799 /nfs/dbraw/zinc/48/57/99/422485799.db2.gz VUOHRJDAXCSVAR-OCVGTWLNSA-N 1 0 306.406 1.603 10 0 DDAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000638010728 422552854 /nfs/dbraw/zinc/55/28/54/422552854.db2.gz LXMOZWMPNUEBRY-QSPRXWTASA-N 1 0 320.433 1.586 10 0 DDAERO CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643620707 423217066 /nfs/dbraw/zinc/21/70/66/423217066.db2.gz JFTIXHIKFUIPKJ-SNVBAGLBSA-N 1 0 302.827 1.986 10 0 DDAERO C[C@H](CC[NH2+][C@@H](C)CS(C)(=O)=O)NC(=O)OC(C)(C)C ZINC000183201381 263378691 /nfs/dbraw/zinc/37/86/91/263378691.db2.gz XRKAQHMOKHSNFW-MNOVXSKESA-N 1 0 308.444 1.312 10 0 DDAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+][C@]2(CO)CCOC2)C1 ZINC000184181164 263385296 /nfs/dbraw/zinc/38/52/96/263385296.db2.gz ZJANFRSCPBSMIE-BBRMVZONSA-N 1 0 314.426 1.375 10 0 DDAERO COc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)c1 ZINC000643960684 423420041 /nfs/dbraw/zinc/42/00/41/423420041.db2.gz AAGDOTBBUQEORC-QGTPRVQTSA-N 1 0 320.433 1.651 10 0 DDAERO O[C@@H]1C[C@H]([NH2+]Cc2cccc3c2OCCO3)[C@H]1n1cccn1 ZINC000657515273 424391018 /nfs/dbraw/zinc/39/10/18/424391018.db2.gz UJAKDEZFZFWQLX-GZBFAFLISA-N 1 0 301.346 1.118 10 0 DDAERO C[C@H]([NH2+]C[C@@H]1CCCO[C@H]1c1ccnn1C)c1cnn(C)c1 ZINC000658273815 424624983 /nfs/dbraw/zinc/62/49/83/424624983.db2.gz XYEPPABKLHQUIF-HEHGZKQESA-N 1 0 303.410 1.972 10 0 DDAERO C[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)NC(=O)CCS3)CC[NH2+]1 ZINC000262762869 274391445 /nfs/dbraw/zinc/39/14/45/274391445.db2.gz AMMDAIFYHBVLQK-PWSUYJOCSA-N 1 0 319.430 1.991 10 0 DDAERO C[C@H]1CCN(C(=O)N[C@@H]2CCO[C@H]2c2cnn(C)c2)[C@@H](C[NH3+])C1 ZINC000333363107 274558289 /nfs/dbraw/zinc/55/82/89/274558289.db2.gz DFUUVIJLVFUKSC-MYPMTAMASA-N 1 0 321.425 1.019 10 0 DDAERO CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)NC[C@H]1CCCO1 ZINC000096358431 276360462 /nfs/dbraw/zinc/36/04/62/276360462.db2.gz XUYQHLTYMPBKDL-CYBMUJFWSA-N 1 0 322.405 1.009 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(-n3nccn3)cc2)C1 ZINC000171077562 276872679 /nfs/dbraw/zinc/87/26/79/276872679.db2.gz IHEUDJPMSYQKCT-AWEZNQCLSA-N 1 0 300.366 1.435 10 0 DDAERO C[NH2+][C@@H](C)CNC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F ZINC000261773298 277293775 /nfs/dbraw/zinc/29/37/75/277293775.db2.gz PLZXSBGPHKAUJB-QMMMGPOBSA-N 1 0 306.332 1.995 10 0 DDAERO COc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc(OC)c1O ZINC000157954837 277369977 /nfs/dbraw/zinc/36/99/77/277369977.db2.gz ZCOZDNTVXZOLIF-WCQYABFASA-N 1 0 320.389 1.718 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000262352870 277595606 /nfs/dbraw/zinc/59/56/06/277595606.db2.gz JIAQBSXAZRLUEI-YDHLFZDLSA-N 1 0 321.421 1.208 10 0 DDAERO COc1nc(N2CC[C@H](C)C[C@@H]2C[NH3+])ncc1Br ZINC000235027215 278084876 /nfs/dbraw/zinc/08/48/76/278084876.db2.gz KVWBIOPECDCCCA-DTWKUNHWSA-N 1 0 315.215 1.811 10 0 DDAERO CC1(C)CN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC[C@H]1[NH3+] ZINC000261726394 278322830 /nfs/dbraw/zinc/32/28/30/278322830.db2.gz QSNKXLXNNDFBOH-CYBMUJFWSA-N 1 0 310.419 1.290 10 0 DDAERO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cn(C(C)(C)C)nn2)CC1 ZINC000191338012 278395415 /nfs/dbraw/zinc/39/54/15/278395415.db2.gz FBMQAAHSGJYGGY-CQSZACIVSA-N 1 0 323.485 1.558 10 0 DDAERO C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246855039 279192019 /nfs/dbraw/zinc/19/20/19/279192019.db2.gz FFMBUKOOFCUVME-HZPDHXFCSA-N 1 0 309.454 1.184 10 0 DDAERO Cc1cc(C)cc(NC(=O)[C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)c1 ZINC000105933121 281051526 /nfs/dbraw/zinc/05/15/26/281051526.db2.gz PWZCWYUWDASMEG-ZBFHGGJFSA-N 1 0 305.422 1.551 10 0 DDAERO CC[N@@H+]1CCC[C@H](Nc2cc(N3CCC[C@H](CO)C3)ncn2)C1 ZINC000112076056 281066436 /nfs/dbraw/zinc/06/64/36/281066436.db2.gz NYDOBOFZJRIMPN-GJZGRUSLSA-N 1 0 319.453 1.582 10 0 DDAERO CNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000114563038 281074740 /nfs/dbraw/zinc/07/47/40/281074740.db2.gz VZXBPJQFHMFMGY-JKSUJKDBSA-N 1 0 306.406 1.022 10 0 DDAERO COCCN1CCN(C(=O)c2scnc2C2CC2)C[C@H]1C ZINC000128004117 281294462 /nfs/dbraw/zinc/29/44/62/281294462.db2.gz KQLQDRHSWNWJGS-LLVKDONJSA-N 1 0 309.435 1.813 10 0 DDAERO C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)c1c(F)cc(F)cc1F ZINC000086468667 288328531 /nfs/dbraw/zinc/32/85/31/288328531.db2.gz CIKAFKJASGYEIL-JGVFFNPUSA-N 1 0 308.325 1.475 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)N[C@H](C)CSC)C[C@@H]1CC ZINC000246734295 282011015 /nfs/dbraw/zinc/01/10/15/282011015.db2.gz JTRLTELBPOFBPU-KGLIPLIRSA-N 1 0 317.499 1.880 10 0 DDAERO CCC(CC)N1C[C@H](C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1=O ZINC000246828249 282016982 /nfs/dbraw/zinc/01/69/82/282016982.db2.gz DRUHFHIVDPOCEE-FMKPAKJESA-N 1 0 323.481 1.868 10 0 DDAERO CCCC[N@H+](C[C@@H](O)COC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000246831014 282017757 /nfs/dbraw/zinc/01/77/57/282017757.db2.gz OCQBMNDSEGYZQD-UONOGXRCSA-N 1 0 321.483 1.452 10 0 DDAERO C[NH+](C)CCNC(=O)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C ZINC000119107773 289163502 /nfs/dbraw/zinc/16/35/02/289163502.db2.gz DFPNQEBCKILJSK-MRXNPFEDSA-N 1 0 313.442 1.844 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000170855086 298222744 /nfs/dbraw/zinc/22/27/44/298222744.db2.gz NRVOVIIXIGTRLH-KGLIPLIRSA-N 1 0 309.454 1.434 10 0 DDAERO CCCC(=O)N[C@H]1CCCN(C(=O)NC2CC[NH+](C)CC2)C1 ZINC000171003258 298226580 /nfs/dbraw/zinc/22/65/80/298226580.db2.gz YEHPEEPDCJRXGT-AWEZNQCLSA-N 1 0 310.442 1.171 10 0 DDAERO COc1nc(NCCC[NH2+]C(C)C)ncc1Br ZINC000574863300 304690683 /nfs/dbraw/zinc/69/06/83/304690683.db2.gz MOOQBBBYVOTGFQ-UHFFFAOYSA-N 1 0 303.204 1.470 10 0 DDAERO Cc1cc(F)cc(C)c1S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000229381683 301302941 /nfs/dbraw/zinc/30/29/41/301302941.db2.gz NEKIKNQLDXCZDR-CHWSQXEVSA-N 1 0 300.399 1.991 10 0 DDAERO COCC[C@H](CO)[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400488533 302369931 /nfs/dbraw/zinc/36/99/31/302369931.db2.gz YKKVWSKWIFWKBQ-MGPQQGTHSA-N 1 0 316.442 1.619 10 0 DDAERO COCC(COC)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000388393080 325771105 /nfs/dbraw/zinc/77/11/05/325771105.db2.gz DQXVNPDWCXJEJI-ZDUSSCGKSA-N 1 0 316.442 1.885 10 0 DDAERO Cc1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(C[NH3+])nc12 ZINC000584639077 337379647 /nfs/dbraw/zinc/37/96/47/337379647.db2.gz ZEWBRBRDIJMJHL-UHFFFAOYSA-N 1 0 316.386 1.744 10 0 DDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000384041138 483964209 /nfs/dbraw/zinc/96/42/09/483964209.db2.gz KJEJJWCHAJITSY-DJIMGWMZSA-N 1 0 302.418 1.907 10 0 DDAERO COc1ccc2c(c1)OC[C@H](C(=O)N1C[C@@H]3CC[C@H]([NH3+])[C@H]3C1)C2 ZINC000248697021 484234950 /nfs/dbraw/zinc/23/49/50/484234950.db2.gz YYOSCUITNBKXDI-XRGAULLZSA-N 1 0 316.401 1.442 10 0 DDAERO Cc1cc(O[C@H](C)C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)ccc1Cl ZINC000261897419 484258759 /nfs/dbraw/zinc/25/87/59/484258759.db2.gz AAQMTCZCMKRZFK-SUNKGSAMSA-N 1 0 312.797 1.112 10 0 DDAERO Cc1nc(-c2ccccc2)sc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262205959 484264738 /nfs/dbraw/zinc/26/47/38/484264738.db2.gz ILWHTKZSZJGRSA-STQMWFEESA-N 1 0 317.414 1.429 10 0 DDAERO Cc1cccc(C2(C(=O)NC[C@H]3C[NH2+]C[C@@H]3O)CCCCC2)c1 ZINC000262212270 484265875 /nfs/dbraw/zinc/26/58/75/484265875.db2.gz IWOBSRXAZLJNSB-WBVHZDCISA-N 1 0 316.445 1.893 10 0 DDAERO Cc1cc(O[C@H](C)C(=O)NC[C@H]2C[NH2+]C[C@H]2O)ccc1C(C)C ZINC000262238567 484266643 /nfs/dbraw/zinc/26/66/43/484266643.db2.gz KSSNOGFQDKUFKS-CKEIUWERSA-N 1 0 320.433 1.582 10 0 DDAERO Cc1ccc(-c2nc(C)c(C(=O)NC[C@H]3C[NH2+]C[C@@H]3O)s2)o1 ZINC000262285480 484267483 /nfs/dbraw/zinc/26/74/83/484267483.db2.gz OFVWFYUTNRNSHA-MNOVXSKESA-N 1 0 321.402 1.330 10 0 DDAERO O=C(COc1c(Cl)cccc1Cl)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262368395 484269978 /nfs/dbraw/zinc/26/99/78/484269978.db2.gz VXQGDRUDJLSRIJ-KWQFWETISA-N 1 0 319.188 1.069 10 0 DDAERO O[C@H]1C[NH2+]C[C@H]1CNCc1ccc(Br)c(Cl)c1 ZINC000263123486 484274337 /nfs/dbraw/zinc/27/43/37/484274337.db2.gz BCLDLXLJRDUISG-SKDRFNHKSA-N 1 0 319.630 1.772 10 0 DDAERO CO[C@@H]1C[N@H+](Cc2cccc3c2OCO3)C[C@H]1c1c[nH]nn1 ZINC000668575488 485220696 /nfs/dbraw/zinc/22/06/96/485220696.db2.gz JUYBKIZRMMXZJL-SMDDNHRTSA-N 1 0 302.334 1.148 10 0 DDAERO O=S(=O)(c1c(F)cccc1F)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000154344013 527264559 /nfs/dbraw/zinc/26/45/59/527264559.db2.gz HEAGKTJZRPLIKT-ZDUSSCGKSA-N 1 0 302.346 1.339 10 0 DDAERO CCOC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1ccc(C(=O)NC)n1C ZINC000328628625 528901209 /nfs/dbraw/zinc/90/12/09/528901209.db2.gz HKFNLMRVPAZKHE-ZFWWWQNUSA-N 1 0 323.437 1.309 10 0 DDAERO CC(C)[NH+]1CCC(C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000173290748 535142904 /nfs/dbraw/zinc/14/29/04/535142904.db2.gz YSKZZZRJWLVOLT-LSDHHAIUSA-N 1 0 311.470 1.020 10 0 DDAERO CCSCC[C@H](C)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000173624868 535689453 /nfs/dbraw/zinc/68/94/53/535689453.db2.gz VKSJCCXFARXOQF-UONOGXRCSA-N 1 0 317.499 1.664 10 0 DDAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1ncc(Br)s1 ZINC000714935311 699272807 /nfs/dbraw/zinc/27/28/07/699272807.db2.gz NPQIDJOPUNPGMO-SFYZADRCSA-N 1 0 318.240 1.897 10 0 DDAERO CC[C@H]1CN(Cn2ccc(C(F)(F)F)n2)CC[N@@H+]1CCOC ZINC000117325116 696670586 /nfs/dbraw/zinc/67/05/86/696670586.db2.gz JDVUMDFAKFDFII-LBPRGKRZSA-N 1 0 320.359 1.902 10 0 DDAERO O[C@H]1C[NH2+][C@@H](c2nc(-c3ccc(Br)cn3)no2)C1 ZINC000131867500 696809349 /nfs/dbraw/zinc/80/93/49/696809349.db2.gz PBFVWECGGJMWRN-VXNVDRBHSA-N 1 0 311.139 1.289 10 0 DDAERO C[NH+](C)[C@H]1CCN(Cn2nc(N3CCCC3)sc2=S)C1 ZINC000170842595 697350844 /nfs/dbraw/zinc/35/08/44/697350844.db2.gz DVGJZKGYJVFNHL-NSHDSACASA-N 1 0 313.496 1.868 10 0 DDAERO CCOCCN1CCN(C(=O)c2ccc(NC=O)cc2)C[C@H]1C ZINC000174952738 697393639 /nfs/dbraw/zinc/39/36/39/697393639.db2.gz OAMBARWORIRTJC-CQSZACIVSA-N 1 0 319.405 1.438 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccn(CC(F)F)n1 ZINC000194237298 697700175 /nfs/dbraw/zinc/70/01/75/697700175.db2.gz FXBADYWPJLOLJI-NWDGAFQWSA-N 1 0 312.364 1.847 10 0 DDAERO C[C@@H]1CN(CCS(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC000235370413 697793481 /nfs/dbraw/zinc/79/34/81/697793481.db2.gz HDGGDEGMSMEROS-MFKMUULPSA-N 1 0 302.827 1.393 10 0 DDAERO CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000236963849 697802483 /nfs/dbraw/zinc/80/24/83/697802483.db2.gz VKFUNJBRLVXZHQ-APHBMKBZSA-N 1 0 317.433 1.685 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](O)c2ccc(F)cc2)C1 ZINC000249760018 698397230 /nfs/dbraw/zinc/39/72/30/698397230.db2.gz KUSCLPNGIMHFDZ-LSDHHAIUSA-N 1 0 309.385 1.643 10 0 DDAERO O=C(CC[C@H]1CCC[NH2+]1)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000261618557 698429337 /nfs/dbraw/zinc/42/93/37/698429337.db2.gz GBFLFQOTAUROTE-NWDGAFQWSA-N 1 0 307.360 1.519 10 0 DDAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC000261727839 698434735 /nfs/dbraw/zinc/43/47/35/698434735.db2.gz XRMYORLDHQCQGA-KMNOWRPDSA-N 1 0 302.422 1.537 10 0 DDAERO O=S(=O)(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc2cnccc21 ZINC000261848778 698441391 /nfs/dbraw/zinc/44/13/91/698441391.db2.gz DIELOFKAGZFBHF-PBWFPOADSA-N 1 0 317.414 1.796 10 0 DDAERO [NH3+][C@H]1CCCN(S(=O)(=O)Cc2ccccc2C(F)(F)F)C1 ZINC000262137334 698456363 /nfs/dbraw/zinc/45/63/63/698456363.db2.gz XJVHPBOUVDEATG-NSHDSACASA-N 1 0 322.352 1.958 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000262273583 698462515 /nfs/dbraw/zinc/46/25/15/698462515.db2.gz KRRPNBMTDGAEQB-VXGBXAGGSA-N 1 0 313.195 1.526 10 0 DDAERO O=C(NC[C@@H]1CCCN(c2ncccc2F)C1)[C@H]1CCC[NH2+]1 ZINC000262360942 698465792 /nfs/dbraw/zinc/46/57/92/698465792.db2.gz WJMRPJYJVFGOCJ-GXTWGEPZSA-N 1 0 306.385 1.305 10 0 DDAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C[NH2+]Cc2ccns2)C1 ZINC000702843677 699234003 /nfs/dbraw/zinc/23/40/03/699234003.db2.gz GNPFMRSCKVUSIF-JQWIXIFHSA-N 1 0 313.423 1.461 10 0 DDAERO Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 ZINC000702846089 699234207 /nfs/dbraw/zinc/23/42/07/699234207.db2.gz PTBDGHOOCJTWJD-KBPBESRZSA-N 1 0 309.410 1.343 10 0 DDAERO Cn1ccc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1 ZINC000702846095 699234396 /nfs/dbraw/zinc/23/43/96/699234396.db2.gz PTBDGHOOCJTWJD-ZIAGYGMSSA-N 1 0 309.410 1.343 10 0 DDAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC[C@H]2O)C1 ZINC000706777445 699244307 /nfs/dbraw/zinc/24/43/07/699244307.db2.gz CBXBXACCROIMHK-RFQIPJPRSA-N 1 0 314.426 1.562 10 0 DDAERO [NH3+]C[C@H]1C[C@@H](C(=O)Nc2ccc(F)c(Br)c2)CO1 ZINC000713823748 699267542 /nfs/dbraw/zinc/26/75/42/699267542.db2.gz VSZRRJGEYGMQOL-VXNVDRBHSA-N 1 0 317.158 1.891 10 0 DDAERO [NH3+]C[C@H]1C[C@@H](C(=O)Nc2ccc(Br)cc2F)CO1 ZINC000713824186 699267574 /nfs/dbraw/zinc/26/75/74/699267574.db2.gz XIQBQDBLBHUUAA-VXNVDRBHSA-N 1 0 317.158 1.891 10 0 DDAERO [NH3+]C[C@H]1C[C@@H](C(=O)NCc2cccc(Cl)c2Cl)CO1 ZINC000713886343 699268223 /nfs/dbraw/zinc/26/82/23/699268223.db2.gz QNUSZHNPTJHVDA-NXEZZACHSA-N 1 0 303.189 1.973 10 0 DDAERO CC(C)S(=O)(=O)CCCN1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717015516 699285664 /nfs/dbraw/zinc/28/56/64/699285664.db2.gz VMFSOCIUXUCXEZ-QWRGUYRKSA-N 1 0 316.389 1.411 10 0 DDAERO CO[C@H]1CN(CCCS(=O)(=O)C(C)(C)C)[C@@](C)(C[NH3+])C1 ZINC000718727908 699294628 /nfs/dbraw/zinc/29/46/28/699294628.db2.gz KJIAKIZYXBSMBQ-TZMCWYRMSA-N 1 0 306.472 1.028 10 0 DDAERO C[C@H](NS(=O)(=O)C1C[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000722219631 699316582 /nfs/dbraw/zinc/31/65/82/699316582.db2.gz PDQYDLSAMDRUJL-ZETCQYMHSA-N 1 0 309.218 1.946 10 0 DDAERO C[C@H](NC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2n(n1)CCCC2 ZINC000898388204 708629337 /nfs/dbraw/zinc/62/93/37/708629337.db2.gz MADJRZFRJGUWDX-BJJXKVORSA-N 1 0 318.421 1.260 10 0 DDAERO CC(=O)N1C[C@H]([NH2+]Cc2ccnn2C)CC[C@@H]1C(F)(F)F ZINC000886065532 708691271 /nfs/dbraw/zinc/69/12/71/708691271.db2.gz JFDUUXFPCNORBS-ZYHUDNBSSA-N 1 0 304.316 1.452 10 0 DDAERO Cc1cccnc1-c1noc(CN2CCCC[C@H]([NH3+])C2=O)n1 ZINC000888078384 709210266 /nfs/dbraw/zinc/21/02/66/709210266.db2.gz MTHACKKAKOKPJM-NSHDSACASA-N 1 0 301.350 1.280 10 0 DDAERO CCOc1cc(N2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)c(F)cn1 ZINC000888101617 709214140 /nfs/dbraw/zinc/21/41/40/709214140.db2.gz IQFMWNCRAKSAQW-KGLIPLIRSA-N 1 0 320.372 1.202 10 0 DDAERO CC[C@H]1CN(C(=O)c2ccc(C)nc2NC)CC[N@@H+]1C[C@H](C)O ZINC000900868602 709799073 /nfs/dbraw/zinc/79/90/73/709799073.db2.gz UBVKPGNBWNYEGA-KBPBESRZSA-N 1 0 320.437 1.349 10 0 DDAERO C/C=C\[C@H](O)C(=O)N1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000907556815 712594547 /nfs/dbraw/zinc/59/45/47/712594547.db2.gz WEMAUWVTWATNTI-QFQUVNDNSA-N 1 0 303.406 1.781 10 0 DDAERO C[C@H](c1ccc(F)nc1)[N@@H+]1CCC[C@](O)(CC(=O)N(C)C)C1 ZINC000930773736 713917337 /nfs/dbraw/zinc/91/73/37/713917337.db2.gz GZMFOUHNDQMNAJ-WBMJQRKESA-N 1 0 309.385 1.587 10 0 DDAERO O=S(=O)(N1CCCC1)N1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000081767917 192321409 /nfs/dbraw/zinc/32/14/09/192321409.db2.gz ZRQDBFVATUUVGR-HNNXBMFYSA-N 1 0 315.483 1.571 10 0 DDAERO CC[C@@H]1CN(C(=O)NCC2(C3CC3)CC2)CC[N@@H+]1C[C@H](C)O ZINC000248498319 282088007 /nfs/dbraw/zinc/08/80/07/282088007.db2.gz RPGCZUAOMSGDCF-DZGCQCFKSA-N 1 0 309.454 1.663 10 0 DDAERO CC[C@@H]1CN(CCO[C@H]2CCCCO2)CC[N@@H+]1C[C@H](C)O ZINC000248547330 282089838 /nfs/dbraw/zinc/08/98/38/282089838.db2.gz FDAJSXDDSIJMAS-XHSDSOJGSA-N 1 0 300.443 1.307 10 0 DDAERO CC[NH2+][C@@H]1CCC2(C[C@H]1SCC(=O)OCC)OCCO2 ZINC000081794814 192323897 /nfs/dbraw/zinc/32/38/97/192323897.db2.gz BAMFAMVLSKPUTA-VXGBXAGGSA-N 1 0 303.424 1.556 10 0 DDAERO Cn1cnnc1SC[C@@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000081866802 192333043 /nfs/dbraw/zinc/33/30/43/192333043.db2.gz TUDUSDNOWATSAO-LLVKDONJSA-N 1 0 306.391 1.769 10 0 DDAERO C[NH2+][C@H]1CCOC[C@H]1Sc1ccc(S(C)(=O)=O)cc1 ZINC000081892275 192334519 /nfs/dbraw/zinc/33/45/19/192334519.db2.gz ZBEPLQFPHCOTIH-QWHCGFSZSA-N 1 0 301.433 1.559 10 0 DDAERO C[C@H](CS(C)(=O)=O)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000081900385 192335155 /nfs/dbraw/zinc/33/51/55/192335155.db2.gz JOYPNVHWRZOYQZ-LLVKDONJSA-N 1 0 304.456 1.046 10 0 DDAERO C[C@@H](CS(C)(=O)=O)[NH2+][C@@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000081900406 192335920 /nfs/dbraw/zinc/33/59/20/192335920.db2.gz XXHUSTHPDYNXIH-AXFHLTTASA-N 1 0 317.373 1.899 10 0 DDAERO [NH3+][C@@H]1CCC2(C[C@H]1S(=O)(=O)c1ccc(F)cc1)OCCO2 ZINC000081921380 192338423 /nfs/dbraw/zinc/33/84/23/192338423.db2.gz GXYWICIRSCFGJP-CHWSQXEVSA-N 1 0 315.366 1.222 10 0 DDAERO CN(C)c1ccccc1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000118799676 282138336 /nfs/dbraw/zinc/13/83/36/282138336.db2.gz TUXCVSGPSFYALQ-ZDUSSCGKSA-N 1 0 306.410 1.547 10 0 DDAERO [NH3+][C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000081936199 192342937 /nfs/dbraw/zinc/34/29/37/192342937.db2.gz PHKCOEVFOSWWIE-DOMZBBRYSA-N 1 0 311.403 1.892 10 0 DDAERO CC(C)(C)[C@H](CC[NH3+])CCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000079288603 185163485 /nfs/dbraw/zinc/16/34/85/185163485.db2.gz FVPIRHJHGCQIQO-RYUDHWBXSA-N 1 0 304.456 1.081 10 0 DDAERO CCC[C@H](CC[NH3+])CCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000079237150 185162041 /nfs/dbraw/zinc/16/20/41/185162041.db2.gz SSKAPTGUBCHDFY-QWHCGFSZSA-N 1 0 304.456 1.177 10 0 DDAERO CC(C)[NH2+][C@@H](CSc1ccc(Br)cn1)C(N)=O ZINC000079447780 185171979 /nfs/dbraw/zinc/17/19/79/185171979.db2.gz HEDUSZQWERVKMJ-VIFPVBQESA-N 1 0 318.240 1.788 10 0 DDAERO COc1ccc(S(=O)(=O)N(C)[C@H]2CCC[NH2+]C2)cc1Cl ZINC000082348547 185176909 /nfs/dbraw/zinc/17/69/09/185176909.db2.gz STQANNHENVUSGX-JTQLQIEISA-N 1 0 318.826 1.721 10 0 DDAERO CCC[NH2+][C@@H]1c2ccccc2OC[C@H]1S(=O)(=O)CCOC ZINC000081944533 192346202 /nfs/dbraw/zinc/34/62/02/192346202.db2.gz IBLVQJLDCPVUFI-HUUCEWRRSA-N 1 0 313.419 1.550 10 0 DDAERO CC[NH2+][C@H]1CCCCCC[C@H]1S(=O)(=O)CCC(=O)OC ZINC000081974917 192347445 /nfs/dbraw/zinc/34/74/45/192347445.db2.gz LKJOHOWDSFEUBY-QWHCGFSZSA-N 1 0 305.440 1.665 10 0 DDAERO CC[C@@H](C[NH3+])C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000087517843 185227519 /nfs/dbraw/zinc/22/75/19/185227519.db2.gz CYAWZYXTVQHSHC-QMMMGPOBSA-N 1 0 304.799 1.667 10 0 DDAERO C[C@]1(CNCc2sccc2Br)COC[C@@H]1[NH3+] ZINC000087576086 185228791 /nfs/dbraw/zinc/22/87/91/185228791.db2.gz NZBRNFLNASZVPQ-QWRGUYRKSA-N 1 0 305.241 1.964 10 0 DDAERO CC(C)(C[NH3+])CCS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000087596338 185228878 /nfs/dbraw/zinc/22/88/78/185228878.db2.gz LLTKPPOUKGYFSN-UHFFFAOYSA-N 1 0 313.419 1.997 10 0 DDAERO CC(C)c1nsc(N2CC[NH+](C(C)(C)C(N)=S)CC2)n1 ZINC000087639974 185229814 /nfs/dbraw/zinc/22/98/14/185229814.db2.gz PATGETNLGGGHHR-UHFFFAOYSA-N 1 0 313.496 1.848 10 0 DDAERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@@H](n3cncn3)C2)C1 ZINC000247063150 282189140 /nfs/dbraw/zinc/18/91/40/282189140.db2.gz ODJFSEFOJXNBOT-RBSFLKMASA-N 1 0 320.441 1.497 10 0 DDAERO C[C@@H]([NH3+])CCC[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000087682550 185230491 /nfs/dbraw/zinc/23/04/91/185230491.db2.gz IUHFANCSPHAJLE-GHMZBOCLSA-N 1 0 313.423 1.426 10 0 DDAERO CCOC(=O)CS(=O)(=O)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000081977246 192347880 /nfs/dbraw/zinc/34/78/80/192347880.db2.gz GKAPFTXMJVYAAY-SDDRHHMPSA-N 1 0 305.440 1.506 10 0 DDAERO CCC(CC)N1C[C@H](C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)CC1=O ZINC000262031425 282192568 /nfs/dbraw/zinc/19/25/68/282192568.db2.gz PLGZBFWBGAKNBN-TZMCWYRMSA-N 1 0 309.454 1.609 10 0 DDAERO C[C@@H](C[NH3+])[S@](=O)CCOc1ccc(Br)cc1 ZINC000088067655 185238549 /nfs/dbraw/zinc/23/85/49/185238549.db2.gz UETVYUWGWWOVJV-FVMDXXJSSA-N 1 0 306.225 1.924 10 0 DDAERO [NH3+]CC[S@@](=O)CC(=O)Nc1ccccc1Br ZINC000088062953 185238639 /nfs/dbraw/zinc/23/86/39/185238639.db2.gz QTUHGOBGOCIVDN-INIZCTEOSA-N 1 0 305.197 1.095 10 0 DDAERO COc1ccc(CN(C)C[C@H]2CC[N@H+](C)C2)cc1C(N)=S ZINC000087832650 185232717 /nfs/dbraw/zinc/23/27/17/185232717.db2.gz XEVBLSPAQAJCES-ZDUSSCGKSA-N 1 0 307.463 1.713 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC000157668771 539214953 /nfs/dbraw/zinc/21/49/53/539214953.db2.gz VFAPKMJKIAPMQI-HUUCEWRRSA-N 1 0 324.469 1.415 10 0 DDAERO CC(=O)NC1CC[NH+](CCN(C)Cc2ccc(F)cc2)CC1 ZINC000181666036 539238088 /nfs/dbraw/zinc/23/80/88/539238088.db2.gz DKUKHEXPKFAMQF-UHFFFAOYSA-N 1 0 307.413 1.858 10 0 DDAERO C[C@@H]([NH2+]CC(=O)NC1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000181746855 539238529 /nfs/dbraw/zinc/23/85/29/539238529.db2.gz GFBIORSZBSTDBJ-GFCCVEGCSA-N 1 0 320.389 1.404 10 0 DDAERO COc1ccc(NC[C@@H](O)C[NH+](C)C)cc1Br ZINC000088320092 185245517 /nfs/dbraw/zinc/24/55/17/185245517.db2.gz KREMDJYRZIEXKZ-SNVBAGLBSA-N 1 0 303.200 1.792 10 0 DDAERO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000183131366 539240906 /nfs/dbraw/zinc/24/09/06/539240906.db2.gz QQLJQDVFIGTIAZ-NHYWBVRUSA-N 1 0 305.378 1.741 10 0 DDAERO CS(=O)(=O)[C@@H]1CCC[C@H]1N1CC[NH2+]CC12CCCCC2 ZINC000088395638 185248514 /nfs/dbraw/zinc/24/85/14/185248514.db2.gz PIHGPDUGWMPJKL-ZIAGYGMSSA-N 1 0 300.468 1.560 10 0 DDAERO C[NH2+][C@@H](Cc1ccc2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 ZINC000088519248 185254521 /nfs/dbraw/zinc/25/45/21/185254521.db2.gz XIJIKDZKYBCIEV-CJNGLKHVSA-N 1 0 304.415 1.800 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N[C@H]2COc3ccccc32)o1 ZINC000088551246 185257442 /nfs/dbraw/zinc/25/74/42/185257442.db2.gz NVFWBBHXSBCRBJ-LBPRGKRZSA-N 1 0 308.359 1.411 10 0 DDAERO C[C@H]1COCCN1S(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000088543797 185256632 /nfs/dbraw/zinc/25/66/32/185256632.db2.gz SYEPNHAAMBYGMX-NSHDSACASA-N 1 0 316.423 1.577 10 0 DDAERO C[C@H](c1cc(F)c(Cl)cc1Cl)N1CC[NH2+]C[C@@H]1C(N)=O ZINC000088659053 185261819 /nfs/dbraw/zinc/26/18/19/185261819.db2.gz MEHKXMUJQNFILP-JMCQJSRRSA-N 1 0 320.195 1.953 10 0 DDAERO CCOC(=O)[C@@H]1C[NH2+]CCN1Cc1csc(C(C)(C)C)n1 ZINC000088665029 185262066 /nfs/dbraw/zinc/26/20/66/185262066.db2.gz WYOXIKVKZQXXPI-LBPRGKRZSA-N 1 0 311.451 1.778 10 0 DDAERO COCCCS(=O)(=O)C[C@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000081986024 192349491 /nfs/dbraw/zinc/34/94/91/192349491.db2.gz RZVZZESEYHDMNY-LBPRGKRZSA-N 1 0 317.407 1.155 10 0 DDAERO CC[C@@H]([NH2+]C)[C@@H](C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000082011680 192353381 /nfs/dbraw/zinc/35/33/81/192353381.db2.gz KEDJVHCIAGLHKT-ZWNOBZJWSA-N 1 0 319.448 1.250 10 0 DDAERO COc1cc(C)c(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC000090321882 185290955 /nfs/dbraw/zinc/29/09/55/185290955.db2.gz XGTMXUVBVNKFOI-CHWSQXEVSA-N 1 0 310.419 1.152 10 0 DDAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cc(Br)cn1C ZINC000090325066 185291051 /nfs/dbraw/zinc/29/10/51/185291051.db2.gz XIUOWNFFSWUCTE-KKZNHRDASA-N 1 0 312.211 1.468 10 0 DDAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1ccc(F)cc1C ZINC000090331649 185291444 /nfs/dbraw/zinc/29/14/44/185291444.db2.gz VANMVWVEXDQGCS-KWCYVHTRSA-N 1 0 312.410 1.753 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1c1ccccc1S(=O)(=O)CC ZINC000090333833 185291516 /nfs/dbraw/zinc/29/15/16/185291516.db2.gz LXIURIQFTHSNKC-MGPQQGTHSA-N 1 0 308.447 1.914 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)Cc1ccc(F)cc1 ZINC000090331865 185291718 /nfs/dbraw/zinc/29/17/18/185291718.db2.gz ZJWRJSVKWALCGM-BPLDGKMQSA-N 1 0 312.410 1.585 10 0 DDAERO [NH3+][C@H]1COC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000090364564 185292703 /nfs/dbraw/zinc/29/27/03/185292703.db2.gz VWLUMAYEFFDBDV-WPRPVWTQSA-N 1 0 310.151 1.940 10 0 DDAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000090489582 185298762 /nfs/dbraw/zinc/29/87/62/185298762.db2.gz ILWNQRNHQYHHIF-NNYUYHANSA-N 1 0 308.344 1.848 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000090434098 185296079 /nfs/dbraw/zinc/29/60/79/185296079.db2.gz RENFLRMJSZSQSG-OLZOCXBDSA-N 1 0 303.387 1.983 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(Cl)cc1C(=O)OC ZINC000090432920 185296259 /nfs/dbraw/zinc/29/62/59/185296259.db2.gz URKFBQLPHAVFDM-ZYHUDNBSSA-N 1 0 312.753 1.300 10 0 DDAERO C[NH2+][C@H](C[S@@](=O)CCCOC)c1cc(OC)ccc1OC ZINC000081998725 192353704 /nfs/dbraw/zinc/35/37/04/192353704.db2.gz JRXBTYGVEGOTPC-SPLOXXLWSA-N 1 0 315.435 1.750 10 0 DDAERO CCOCCCN(CC(F)(F)F)C(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090593103 185305688 /nfs/dbraw/zinc/30/56/88/185305688.db2.gz JCCZFKSJMMJDGQ-ZYHUDNBSSA-N 1 0 312.332 1.168 10 0 DDAERO Cc1ccc(I)cc1-n1cc(C[NH3+])nn1 ZINC000300984704 539289029 /nfs/dbraw/zinc/28/90/29/539289029.db2.gz SUYMWYIOZKXFCA-UHFFFAOYSA-N 1 0 314.130 1.639 10 0 DDAERO O=C(Cn1cccn1)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000090700894 185310670 /nfs/dbraw/zinc/31/06/70/185310670.db2.gz SKVQFYNWSRGVQC-AWEZNQCLSA-N 1 0 308.451 1.313 10 0 DDAERO Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC[NH2+]C1CC1 ZINC000092320455 185312189 /nfs/dbraw/zinc/31/21/89/185312189.db2.gz BMYBFDZMUMFFIT-AWEZNQCLSA-N 1 0 311.451 1.544 10 0 DDAERO CC[NH2+][C@@](CO[C@H](C)C(F)(F)F)(C(N)=O)c1ccccc1 ZINC000090674591 185309000 /nfs/dbraw/zinc/30/90/00/185309000.db2.gz JWVCTSXXVYSGSM-ZWNOBZJWSA-N 1 0 304.312 1.944 10 0 DDAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N[C@H](CO)C(C)C)o1 ZINC000092426613 185317572 /nfs/dbraw/zinc/31/75/72/185317572.db2.gz WQHZZNHODWQTFD-GFCCVEGCSA-N 1 0 304.412 1.073 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(C(=O)/C=C\c2cncc(F)c2)CC1 ZINC000255223559 282241324 /nfs/dbraw/zinc/24/13/24/282241324.db2.gz NRMMHLZPVOEUQI-ABCZVMIZSA-N 1 0 307.369 1.149 10 0 DDAERO Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc(N)c1C ZINC000092622520 185329789 /nfs/dbraw/zinc/32/97/89/185329789.db2.gz JRMXFTWQEBDFAC-ZDUSSCGKSA-N 1 0 311.451 1.600 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ncn(C)c1Cl ZINC000092627860 185330454 /nfs/dbraw/zinc/33/04/54/185330454.db2.gz GDUNLCCJUVUTLO-SNVBAGLBSA-N 1 0 320.846 1.178 10 0 DDAERO O=C(Nc1ccc(Cl)c(Cl)c1)c1cn(C2C[NH2+]C2)nn1 ZINC000092700086 185333757 /nfs/dbraw/zinc/33/37/57/185333757.db2.gz AVDXZJRHINSRIF-UHFFFAOYSA-N 1 0 312.160 1.982 10 0 DDAERO CCC[NH2+]CCCN(C)S(=O)(=O)NCC1C(C)(C)C1(C)C ZINC000092833117 185344791 /nfs/dbraw/zinc/34/47/91/185344791.db2.gz YEOSBVHPGXFJLJ-UHFFFAOYSA-N 1 0 319.515 1.825 10 0 DDAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000092951938 185350479 /nfs/dbraw/zinc/35/04/79/185350479.db2.gz ASWITNMXSBEDIU-KWQFWETISA-N 1 0 318.345 1.619 10 0 DDAERO CC[C@@H]1CN(C(=O)NCCc2ccccn2)CC[N@@H+]1C[C@@H](C)O ZINC000181524922 199310420 /nfs/dbraw/zinc/31/04/20/199310420.db2.gz ZCBGCXKGIFMTIX-GDBMZVCRSA-N 1 0 320.437 1.111 10 0 DDAERO CCC(CC)n1nc(C)cc1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000180862417 282297580 /nfs/dbraw/zinc/29/75/80/282297580.db2.gz ODPINOUIFQTGNG-HNNXBMFYSA-N 1 0 322.453 1.955 10 0 DDAERO C[C@@H]([NH3+])Cc1cc(Br)ccc1O[C@H](C)C(N)=O ZINC000037725327 190665261 /nfs/dbraw/zinc/66/52/61/190665261.db2.gz FIJMKKWAQGFHBX-HTQZYQBOSA-N 1 0 301.184 1.591 10 0 DDAERO CN(C[C@H]1CCCN1c1cccnn1)c1cc[nH+]cc1C(N)=O ZINC000302023533 529966662 /nfs/dbraw/zinc/96/66/62/529966662.db2.gz JMBBFXHTHJVLIO-GFCCVEGCSA-N 1 0 312.377 1.076 10 0 DDAERO CN(C)c1ncccc1NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111244362 185562795 /nfs/dbraw/zinc/56/27/95/185562795.db2.gz DOSWPIWCBWNXCO-GFCCVEGCSA-N 1 0 302.300 1.628 10 0 DDAERO Cc1c([C@H](C)NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cnn1C ZINC000111244155 185563268 /nfs/dbraw/zinc/56/32/68/185563268.db2.gz WECTVIONYLRMCN-QPUJVOFHSA-N 1 0 304.316 1.448 10 0 DDAERO C[C@@H]([NH3+])Cc1cc(F)c(N2CCS(=O)(=O)CC2)c(F)c1 ZINC000111494351 185608842 /nfs/dbraw/zinc/60/88/42/185608842.db2.gz MTNIZVAMVNRYSA-SECBINFHSA-N 1 0 304.362 1.089 10 0 DDAERO CC[C@H]([NH3+])Cc1c(C)nn(C)c1Sc1nnnn1C1CC1 ZINC000111581973 185615090 /nfs/dbraw/zinc/61/50/90/185615090.db2.gz FFYXMBRUUAYZPY-VIFPVBQESA-N 1 0 307.427 1.481 10 0 DDAERO CCN(CC)S(=O)(=O)N1CCCC[C@H]1C[NH2+]C(C)(C)C ZINC000111721107 185631270 /nfs/dbraw/zinc/63/12/70/185631270.db2.gz WSCCWAIAGIEEIO-ZDUSSCGKSA-N 1 0 305.488 1.816 10 0 DDAERO NC(=O)c1ccc(NC(=O)COC2CC[NH2+]CC2)cc1Cl ZINC000111795962 185637646 /nfs/dbraw/zinc/63/76/46/185637646.db2.gz OUKQPUUGIGWCIA-UHFFFAOYSA-N 1 0 311.769 1.146 10 0 DDAERO CC(C)(C)OC(=O)NC[C@@H]1CNc2ccccc2N1CC[NH3+] ZINC000616683300 362779166 /nfs/dbraw/zinc/77/91/66/362779166.db2.gz FPWWQWJMGKUAFZ-LBPRGKRZSA-N 1 0 306.410 1.771 10 0 DDAERO C[C@H]1CC[C@H](C[NH3+])CN1S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000070181264 190868592 /nfs/dbraw/zinc/86/85/92/190868592.db2.gz TYQMEUZMONIVOX-NWDGAFQWSA-N 1 0 310.419 1.369 10 0 DDAERO C[NH2+]CC[C@@H]1CCCCN1S(=O)(=O)c1cncc(F)c1 ZINC000070192512 190870659 /nfs/dbraw/zinc/87/06/59/190870659.db2.gz YBWYWGAOARAEHR-LBPRGKRZSA-N 1 0 301.387 1.373 10 0 DDAERO CC[C@H](C[NH3+])NC(=O)c1ccc(I)cc1 ZINC000083566117 192373455 /nfs/dbraw/zinc/37/34/55/192373455.db2.gz SCYXXODGMNVHMT-SNVBAGLBSA-N 1 0 318.158 1.758 10 0 DDAERO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000083718158 192378993 /nfs/dbraw/zinc/37/89/93/192378993.db2.gz YKPXKKSHZCYEGW-WCQYABFASA-N 1 0 308.430 1.451 10 0 DDAERO C[C@@H](CC[NH3+])CCC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000083709117 192379175 /nfs/dbraw/zinc/37/91/75/192379175.db2.gz MJNLGELFUZYBTH-SNVBAGLBSA-N 1 0 316.398 1.933 10 0 DDAERO C[NH2+][C@H](C[S@@](=O)c1ccc(S(C)(=O)=O)cc1)C(C)(C)C ZINC000084055634 192397825 /nfs/dbraw/zinc/39/78/25/192397825.db2.gz UZBTUWMROMIUHP-YJYMSZOUSA-N 1 0 317.476 1.832 10 0 DDAERO COCCO[C@@H]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000187990196 186240785 /nfs/dbraw/zinc/24/07/85/186240785.db2.gz PAGWTXNCGRYDBP-SJORKVTESA-N 1 0 320.433 1.423 10 0 DDAERO C[C@H](C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000237450779 186290943 /nfs/dbraw/zinc/29/09/43/186290943.db2.gz ZSRCVQXSRAWZFJ-FRFSOERESA-N 1 0 301.434 1.677 10 0 DDAERO O=C(Nc1cccc2c1OCCO2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171891135 198002278 /nfs/dbraw/zinc/00/22/78/198002278.db2.gz SUCJXGBSKIAQDM-GFCCVEGCSA-N 1 0 303.362 1.770 10 0 DDAERO COc1ccc(C[NH2+][C@H]2CCOC[C@H]2O)cc1Br ZINC000623764733 366043564 /nfs/dbraw/zinc/04/35/64/366043564.db2.gz JIFMJBXTCWCOCL-NWDGAFQWSA-N 1 0 316.195 1.697 10 0 DDAERO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)NCCOc1ccccc1 ZINC000172802730 198150895 /nfs/dbraw/zinc/15/08/95/198150895.db2.gz SCGFJBLFKGKCIB-MRXNPFEDSA-N 1 0 317.433 1.352 10 0 DDAERO O[C@@H](C[NH2+]C1CC1)Cc1ccc(I)cc1 ZINC000084994063 192479942 /nfs/dbraw/zinc/47/99/42/192479942.db2.gz NMTBQEQRCNRGRM-GFCCVEGCSA-N 1 0 317.170 1.947 10 0 DDAERO CC(C)[N@H+]1C[C@H](NS(=O)(=O)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000174004865 198279283 /nfs/dbraw/zinc/27/92/83/198279283.db2.gz KAJMBIVWFULEDJ-WFASDCNBSA-N 1 0 314.426 1.974 10 0 DDAERO CS(=O)(=O)c1ccccc1NC[C@H](O)C[NH+]1CCCCC1 ZINC000174686330 198370210 /nfs/dbraw/zinc/37/02/10/198370210.db2.gz NUHVCSKXQUOLFH-ZDUSSCGKSA-N 1 0 312.435 1.349 10 0 DDAERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ncc(I)cn1 ZINC000129534489 354083094 /nfs/dbraw/zinc/08/30/94/354083094.db2.gz QDQXNLRAILWKLV-CBAPKCEASA-N 1 0 318.162 1.634 10 0 DDAERO [NH3+][C@H]1CO[C@@H]2[C@H](OC(=O)Nc3cccc4ccccc43)CO[C@H]12 ZINC000004236088 181086935 /nfs/dbraw/zinc/08/69/35/181086935.db2.gz XNQPTRFMJFVYNV-LCGIIJARSA-N 1 0 314.341 1.882 10 0 biogenic DDAERO C[C@H](C[NH3+])Cn1cc(Br)cc(Br)c1=O ZINC000163982358 354247701 /nfs/dbraw/zinc/24/77/01/354247701.db2.gz SEANAFCRFQRWJO-ZCFIWIBFSA-N 1 0 324.016 1.968 10 0 DDAERO C[N@H+](CC1CC1)C[C@H]1CN(C(=O)[C@@H](O)c2ccccc2)CCO1 ZINC000328631919 354554393 /nfs/dbraw/zinc/55/43/93/354554393.db2.gz KYLLJFLDKRHSQS-IRXDYDNUSA-N 1 0 318.417 1.289 10 0 DDAERO CCCNC(=O)c1ccc(OC[C@@H](O)C[NH2+]C(C)(C)C)cc1 ZINC000584591916 354743561 /nfs/dbraw/zinc/74/35/61/354743561.db2.gz AORAEZWBWMCYKK-AWEZNQCLSA-N 1 0 308.422 1.954 10 0 DDAERO [NH3+][C@H]1CC(F)(F)C[C@@H]1NC(=O)c1ccccc1-n1nccn1 ZINC000584592102 354743569 /nfs/dbraw/zinc/74/35/69/354743569.db2.gz NLLVPPPWEIKZIE-QWRGUYRKSA-N 1 0 307.304 1.122 10 0 DDAERO CC(C)([NH3+])CN1C(=O)COc2ccc(Br)nc21 ZINC000075259145 191452213 /nfs/dbraw/zinc/45/22/13/191452213.db2.gz VMVCPMLPDDQWOB-UHFFFAOYSA-N 1 0 300.156 1.307 10 0 DDAERO C[N@@H+](CC(=O)N1CCCC1)C[C@H](C(N)=S)c1ccccc1 ZINC000080810242 192193026 /nfs/dbraw/zinc/19/30/26/192193026.db2.gz ZISHJPAZBQJQDX-AWEZNQCLSA-N 1 0 305.447 1.611 10 0 DDAERO C[C@@H](O)[C@@H]([NH3+])CNC(=O)c1cc(F)ccc1Br ZINC000080698599 192182794 /nfs/dbraw/zinc/18/27/94/192182794.db2.gz HSSUUXKXZADCSF-LDWIPMOCSA-N 1 0 305.147 1.026 10 0 DDAERO CC(C)[NH2+]CC[C@H](C)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081542835 192287105 /nfs/dbraw/zinc/28/71/05/192287105.db2.gz JUPHTTDXINGDMN-JTQLQIEISA-N 1 0 305.348 1.889 10 0 DDAERO Cc1nc(N2CCn3c(nnc3C(F)(F)F)C2)sc1C[NH3+] ZINC000081544154 192288142 /nfs/dbraw/zinc/28/81/42/192288142.db2.gz WVEWZQJWAQRUKY-UHFFFAOYSA-N 1 0 318.328 1.541 10 0 DDAERO NC(=[NH2+])c1cccc(-n2cc(I)cn2)n1 ZINC000081621588 192304403 /nfs/dbraw/zinc/30/44/03/192304403.db2.gz ULIMVDGFMKESJK-UHFFFAOYSA-N 1 0 313.102 1.156 10 0 DDAERO CS(=O)(=O)CCCN1C[C@@H](C2CC2)[NH2+]CC12CCCCC2 ZINC000085529251 192514516 /nfs/dbraw/zinc/51/45/16/192514516.db2.gz JVDZIYXFWJIDEH-HNNXBMFYSA-N 1 0 314.495 1.808 10 0 DDAERO O=S1(=O)CCC(N2CC[NH2+][C@H](C3CCCCC3)C2)CC1 ZINC000086128162 192549281 /nfs/dbraw/zinc/54/92/81/192549281.db2.gz NLKRTPCOMABCMB-HNNXBMFYSA-N 1 0 300.468 1.418 10 0 DDAERO CCS(=O)(=O)CCCN1C[C@@H](C(C)C)[NH2+]C[C@@H]1C1CC1 ZINC000086982244 192606262 /nfs/dbraw/zinc/60/62/62/192606262.db2.gz ZHABGYBMWWNEPV-LSDHHAIUSA-N 1 0 302.484 1.520 10 0 DDAERO O=S(=O)(CCCC[NH2+]C1CC1)N1CCc2sccc2C1 ZINC000088914427 192655312 /nfs/dbraw/zinc/65/53/12/192655312.db2.gz PWTQDSJEYWJYJU-UHFFFAOYSA-N 1 0 314.476 1.968 10 0 DDAERO CC(C)[NH2+]CCCn1cc(S(=O)(=O)N(C)C(C)C)cn1 ZINC000088917138 192656053 /nfs/dbraw/zinc/65/60/53/192656053.db2.gz NKVMWVVXVSELIC-UHFFFAOYSA-N 1 0 302.444 1.300 10 0 DDAERO CCCCN(CC)S(=O)(=O)c1cnn(CCC[NH2+]C)c1 ZINC000088916201 192656857 /nfs/dbraw/zinc/65/68/57/192656857.db2.gz CMNZLEZOWTVWGY-UHFFFAOYSA-N 1 0 302.444 1.303 10 0 DDAERO CC[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)c1ccccc1 ZINC000088911505 192653006 /nfs/dbraw/zinc/65/30/06/192653006.db2.gz HMWMSZWIORRCIX-OAHLLOKOSA-N 1 0 311.451 1.832 10 0 DDAERO CCC[NH2+]Cc1c[nH]nc1S(=O)(=O)N(CC)[C@@H](C)CC ZINC000088951300 192666054 /nfs/dbraw/zinc/66/60/54/192666054.db2.gz XCDUVEHNCBZSPC-NSHDSACASA-N 1 0 302.444 1.718 10 0 DDAERO C[NH2+]CC1CCN(S(=O)(=O)NC2CCCCCC2)CC1 ZINC000088974067 192676168 /nfs/dbraw/zinc/67/61/68/192676168.db2.gz WVJWUYJVAFDROO-UHFFFAOYSA-N 1 0 303.472 1.475 10 0 DDAERO C[NH2+]Cc1cccc(CS(=O)(=O)N2CCOC(C)(C)C2)c1 ZINC000088969552 192673079 /nfs/dbraw/zinc/67/30/79/192673079.db2.gz MFAVAGTXUZSDGS-UHFFFAOYSA-N 1 0 312.435 1.347 10 0 DDAERO CC[C@@H]1CCCN(S(=O)(=O)c2cnn(CCC[NH2+]C)c2)C1 ZINC000088968719 192673196 /nfs/dbraw/zinc/67/31/96/192673196.db2.gz JICWUEMIACRPHU-CYBMUJFWSA-N 1 0 314.455 1.303 10 0 DDAERO Cn1c2cccc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)c2oc1=O ZINC000179312382 199013973 /nfs/dbraw/zinc/01/39/73/199013973.db2.gz PNMAHEYCXIQYNC-NSHDSACASA-N 1 0 301.346 1.052 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)c2cnc3ccc(F)cc3c2)CCO1 ZINC000179468573 199041289 /nfs/dbraw/zinc/04/12/89/199041289.db2.gz ZFALDAYJJQQSEV-HNNXBMFYSA-N 1 0 317.364 1.777 10 0 DDAERO Cc1nc([C@H](C)[NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)cs1 ZINC000347997477 283323801 /nfs/dbraw/zinc/32/38/01/283323801.db2.gz HLSMGPQWGSZIOE-CMPLNLGQSA-N 1 0 317.480 1.774 10 0 DDAERO COCCOc1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000180285048 199141559 /nfs/dbraw/zinc/14/15/59/199141559.db2.gz DHRTZAINMICPNG-AWEZNQCLSA-N 1 0 305.378 1.027 10 0 DDAERO COc1cc(OC)c(OC)cc1CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000237302471 202223310 /nfs/dbraw/zinc/22/33/10/202223310.db2.gz DEQCUQQZYPGIRR-NEPJUHHUSA-N 1 0 308.378 1.456 10 0 DDAERO CS(=O)(=O)Cc1ccccc1CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000237344396 202238545 /nfs/dbraw/zinc/23/85/45/202238545.db2.gz CWKBBLWYOWPRSH-WFASDCNBSA-N 1 0 324.446 1.365 10 0 DDAERO CN(Cc1ccc(Br)cn1)C[C@@H]1CN(C)CCO1 ZINC000601756745 358681813 /nfs/dbraw/zinc/68/18/13/358681813.db2.gz YJNZUESCRHUYOI-ZDUSSCGKSA-N 1 0 314.227 1.607 10 0 DDAERO CC[C@@H](C)CNS(=O)(=O)c1ccc(OC)cc1CC[NH3+] ZINC000089025538 192705174 /nfs/dbraw/zinc/70/51/74/192705174.db2.gz MXIFFSKKHHOTAF-LLVKDONJSA-N 1 0 300.424 1.521 10 0 DDAERO C[NH2+]Cc1cc(S(=O)(=O)NCc2cscn2)c(C)s1 ZINC000089038138 192714126 /nfs/dbraw/zinc/71/41/26/192714126.db2.gz OVOXFQDTYXTRGT-UHFFFAOYSA-N 1 0 317.461 1.711 10 0 DDAERO C[C@H]1CCC[C@@](C[NH2+]C2CC2)(CN2CCS(=O)(=O)CC2)C1 ZINC000089616360 192826414 /nfs/dbraw/zinc/82/64/14/192826414.db2.gz VEWZIOCUADABOL-GOEBONIOSA-N 1 0 314.495 1.665 10 0 DDAERO CC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000237582778 202291017 /nfs/dbraw/zinc/29/10/17/202291017.db2.gz UPDFWVQANPZBKS-DAXOMENPSA-N 1 0 303.406 1.450 10 0 DDAERO O=C(/N=c1\sccn1Cc1ccccc1F)[C@@H]1CC[NH2+]C1 ZINC000237850356 202371448 /nfs/dbraw/zinc/37/14/48/202371448.db2.gz MGVOXERNLZXHCO-FOTIKMNESA-N 1 0 305.378 1.774 10 0 DDAERO C[NH+](C)C[C@@H]1CN(Cc2nc(-c3ccccc3F)no2)CCO1 ZINC000189014286 200336021 /nfs/dbraw/zinc/33/60/21/200336021.db2.gz KCCWUUKYONTRHP-GFCCVEGCSA-N 1 0 320.368 1.638 10 0 DDAERO COc1cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1F ZINC000190618351 200565188 /nfs/dbraw/zinc/56/51/88/200565188.db2.gz UEYGEVCYBOVHFA-SNVBAGLBSA-N 1 0 302.371 1.159 10 0 DDAERO CC(C)=CCNC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000190554896 200556454 /nfs/dbraw/zinc/55/64/54/200556454.db2.gz ALTDACHXIIDBFW-UHFFFAOYSA-N 1 0 319.453 1.955 10 0 DDAERO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000193326919 201030762 /nfs/dbraw/zinc/03/07/62/201030762.db2.gz QEISIDSJHNBCEE-QMMMGPOBSA-N 1 0 308.325 1.476 10 0 DDAERO CC[NH2+][C@H]1COC[C@@H]1C(=O)N(CCOC)Cc1cccs1 ZINC000090489975 192923702 /nfs/dbraw/zinc/92/37/02/192923702.db2.gz DRLHHTAHYMJSBM-KBPBESRZSA-N 1 0 312.435 1.348 10 0 DDAERO CCOC(=O)CN1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000194782869 201287111 /nfs/dbraw/zinc/28/71/11/201287111.db2.gz BBAHOELHCLPUOQ-CYBMUJFWSA-N 1 0 311.451 1.768 10 0 DDAERO CCN(C)C(=O)CC[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195299155 201375180 /nfs/dbraw/zinc/37/51/80/201375180.db2.gz ZHMGLUBSNQWNPO-QGZVFWFLSA-N 1 0 318.465 1.704 10 0 DDAERO O=c1[nH]ccnc1N1CCC[C@H]([NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC000275528771 212396425 /nfs/dbraw/zinc/39/64/25/212396425.db2.gz LQNHRUVPRGDHFY-AWEZNQCLSA-N 1 0 324.388 1.817 10 0 DDAERO Cc1c(F)cc(C(N)=O)cc1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091135320 193001253 /nfs/dbraw/zinc/00/12/53/193001253.db2.gz QMYQMXBUYUDLCU-SNVBAGLBSA-N 1 0 311.382 1.267 10 0 DDAERO CCOC(=O)[C@@H]1CCCCN1C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091136929 193002512 /nfs/dbraw/zinc/00/25/12/193002512.db2.gz HXTXUXGKDVQZEQ-NEPJUHHUSA-N 1 0 300.424 1.026 10 0 DDAERO CN(Cc1ccc(Br)cc1)[C@@H](C[NH3+])CC(N)=O ZINC000091314715 193038352 /nfs/dbraw/zinc/03/83/52/193038352.db2.gz PPBUMDVMFHPAQE-LLVKDONJSA-N 1 0 300.200 1.084 10 0 DDAERO Cc1nn(C)c(C[C@@H](N)C(C)(C)[NH+](C)C)c1Br ZINC000091528506 193070110 /nfs/dbraw/zinc/07/01/10/193070110.db2.gz ZYMPROXAJUQAPL-SNVBAGLBSA-N 1 0 303.248 1.701 10 0 DDAERO CCC[NH2+][C@H](CCCS(C)(=O)=O)C(C)(C)N1CCOCC1 ZINC000091567181 193074136 /nfs/dbraw/zinc/07/41/36/193074136.db2.gz LTLMWSUFKZXTNG-CQSZACIVSA-N 1 0 320.499 1.290 10 0 DDAERO CCc1nn(CC)c(C[C@@](C)(O)CC[NH3+])c1Br ZINC000091467758 193059963 /nfs/dbraw/zinc/05/99/63/193059963.db2.gz QOHSXKHPICQCGC-LBPRGKRZSA-N 1 0 304.232 1.870 10 0 DDAERO Cc1cc(C[NH2+]CCCS(N)(=O)=O)ccc1Br ZINC000091469917 193060580 /nfs/dbraw/zinc/06/05/80/193060580.db2.gz JKPSDBSGRZEOGQ-UHFFFAOYSA-N 1 0 321.240 1.526 10 0 DDAERO Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[NH2+][C@H](C)CN1 ZINC000091480299 193061946 /nfs/dbraw/zinc/06/19/46/193061946.db2.gz PJWSLSBTGGTMDF-BXKDBHETSA-N 1 0 301.312 1.902 10 0 DDAERO CC[C@@H](C(N)=S)[NH+]1CCN(C(=O)C2C(C)(C)C2(C)C)CC1 ZINC000091491927 193064186 /nfs/dbraw/zinc/06/41/86/193064186.db2.gz ZQTWYNADIOFCLA-NSHDSACASA-N 1 0 311.495 1.878 10 0 DDAERO COC(=O)c1sccc1NC(=O)C[N@H+](C)CC1CC(O)C1 ZINC000091498925 193065356 /nfs/dbraw/zinc/06/53/56/193065356.db2.gz FUUKLLCTQRYESQ-UHFFFAOYSA-N 1 0 312.391 1.176 10 0 DDAERO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc(F)c(F)c1F ZINC000091846074 193116733 /nfs/dbraw/zinc/11/67/33/193116733.db2.gz ZGKIDEZODXONQR-UHFFFAOYSA-N 1 0 322.352 1.994 10 0 DDAERO C[NH2+]C1CCC(N(C)S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000091872572 193121355 /nfs/dbraw/zinc/12/13/55/193121355.db2.gz HYQBYFOGSXCLDY-UHFFFAOYSA-N 1 0 317.499 1.958 10 0 DDAERO C[NH2+]CCOc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)cc1 ZINC000092113640 193161561 /nfs/dbraw/zinc/16/15/61/193161561.db2.gz XUJKFZNFYVBSEE-CHWSQXEVSA-N 1 0 312.435 1.561 10 0 DDAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000092202699 193173179 /nfs/dbraw/zinc/17/31/79/193173179.db2.gz WGYBRZDDFIUDHX-DTWKUNHWSA-N 1 0 316.329 1.525 10 0 DDAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2cccc(Cl)c2-n2cncn2)C1 ZINC000092203480 193172793 /nfs/dbraw/zinc/17/27/93/193172793.db2.gz XWNJJDJCWMYDEY-NXEZZACHSA-N 1 0 303.753 1.763 10 0 DDAERO COc1cc(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc(OC)c1OC ZINC000261899284 203146803 /nfs/dbraw/zinc/14/68/03/203146803.db2.gz WJIWBGAWHHDUHA-MNOVXSKESA-N 1 0 310.350 1.157 10 0 DDAERO Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H](C)C[NH3+])cc1 ZINC000262553695 203328027 /nfs/dbraw/zinc/32/80/27/203328027.db2.gz ZWGMNJRGPBIRJU-NSHDSACASA-N 1 0 317.389 1.876 10 0 DDAERO CC[NH2+]Cc1c[nH]nc1-c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000093295563 193226448 /nfs/dbraw/zinc/22/64/48/193226448.db2.gz MFVJUILCUAKTQN-UHFFFAOYSA-N 1 0 309.391 1.598 10 0 DDAERO Cn1cc(C[NH3+])c(-c2ccc(S(=O)(=O)CC(F)F)cc2)n1 ZINC000093296847 193227040 /nfs/dbraw/zinc/22/70/40/193227040.db2.gz AYBCSOUKLIVTBQ-UHFFFAOYSA-N 1 0 315.345 1.585 10 0 DDAERO CNS(=O)(=O)c1cc(N[C@H](C)C[C@H]2CCC[NH2+]2)ccc1C ZINC000093464004 193256050 /nfs/dbraw/zinc/25/60/50/193256050.db2.gz 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193296479 /nfs/dbraw/zinc/29/64/79/193296479.db2.gz TZBDKBNLHNOGKE-XRGYYRRGSA-N 1 0 300.131 1.906 10 0 DDAERO C[NH2+][C@@H]1CCC[C@H](N2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC000093730838 193297810 /nfs/dbraw/zinc/29/78/10/193297810.db2.gz OGNAKTLYOOEQQX-ZJUUUORDSA-N 1 0 303.332 1.643 10 0 DDAERO CC[NH2+][C@@]1(C(N)=O)CCC[C@H](N(CC(F)(F)F)C2CC2)C1 ZINC000093751324 193300220 /nfs/dbraw/zinc/30/02/20/193300220.db2.gz HLEITWCBTLQVJT-AAEUAGOBSA-N 1 0 307.360 1.789 10 0 DDAERO Cc1cc(N)cc(C)c1S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000093648444 193283578 /nfs/dbraw/zinc/28/35/78/193283578.db2.gz KCFBBESVHCTIOH-CQSZACIVSA-N 1 0 309.435 1.354 10 0 DDAERO Cc1cc(N)cc(C)c1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000093649022 193285158 /nfs/dbraw/zinc/28/51/58/193285158.db2.gz ZQLHYAGCBNFDFF-AWEZNQCLSA-N 1 0 311.451 1.600 10 0 DDAERO CCCN[C@]1(C(=O)OCC)CC[C@H]([N@H+](C)CCCOC)C1 ZINC000093829628 193314904 /nfs/dbraw/zinc/31/49/04/193314904.db2.gz PVVBHUWTWKUBAF-GOEBONIOSA-N 1 0 300.443 1.809 10 0 DDAERO Cc1nn([C@@H]2CC[C@]([NH3+])(C(N)=O)C2)c(C)c1Br ZINC000093833771 193314920 /nfs/dbraw/zinc/31/49/20/193314920.db2.gz NUDRDBOTAGXOTB-LDYMZIIASA-N 1 0 301.188 1.170 10 0 DDAERO C[NH2+][C@]1(C(N)=O)CC[C@@H](n2nc(C)c(Br)c2C)C1 ZINC000093833775 193315102 /nfs/dbraw/zinc/31/51/02/193315102.db2.gz MOEVRDPAIYSLDH-BXKDBHETSA-N 1 0 315.215 1.431 10 0 DDAERO CC[NH2+][C@]1(C(N)=O)CC[C@H](Sc2nnc3ccccn32)C1 ZINC000093852813 193318530 /nfs/dbraw/zinc/31/85/30/193318530.db2.gz TZPIHPBHYXNJMT-IINYFYTJSA-N 1 0 305.407 1.208 10 0 DDAERO CCN(CC1CC[NH2+]CC1)S(=O)(=O)c1cccc(F)c1 ZINC000094023869 193338994 /nfs/dbraw/zinc/33/89/94/193338994.db2.gz UEUMWEAXKNFBEE-UHFFFAOYSA-N 1 0 300.399 1.836 10 0 DDAERO CCCN(CC(C)(C)C[NH3+])S(=O)(=O)c1c(C)n[nH]c1C ZINC000093890960 193323700 /nfs/dbraw/zinc/32/37/00/193323700.db2.gz WPLRCMULSQLBJD-UHFFFAOYSA-N 1 0 302.444 1.412 10 0 DDAERO CCCN(CC(C)(C)C[NH3+])S(=O)(=O)c1c(C)nn(C)c1C ZINC000093891007 193324185 /nfs/dbraw/zinc/32/41/85/193324185.db2.gz IKONGZNTVCTNQG-UHFFFAOYSA-N 1 0 316.471 1.423 10 0 DDAERO CCN(CC1CC[NH2+]CC1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000094023892 193339310 /nfs/dbraw/zinc/33/93/10/193339310.db2.gz OZEVIJGMIMLMND-UHFFFAOYSA-N 1 0 314.426 1.977 10 0 DDAERO CN(CCS(C)(=O)=O)C1(C[NH3+])CCC(C(F)(F)F)CC1 ZINC000094297913 193356560 /nfs/dbraw/zinc/35/65/60/193356560.db2.gz CEZDFCJJNMIFAF-UHFFFAOYSA-N 1 0 316.389 1.413 10 0 DDAERO CCC[NH2+][C@@H]1[C@H](N2CCN(S(C)(=O)=O)CC2)CCC1(C)C ZINC000094305800 193358612 /nfs/dbraw/zinc/35/86/12/193358612.db2.gz YMWRRMBZVNXZLE-ZIAGYGMSSA-N 1 0 317.499 1.120 10 0 DDAERO CC(C)C[NH2+]Cc1csc(N(C)CCS(C)(=O)=O)n1 ZINC000094301433 193358785 /nfs/dbraw/zinc/35/87/85/193358785.db2.gz LSFNYYCIXBPFOX-UHFFFAOYSA-N 1 0 305.469 1.370 10 0 DDAERO NC(=O)c1ccc(C(F)(F)F)nc1NCC[NH+]1CCCC1 ZINC000094335271 193360501 /nfs/dbraw/zinc/36/05/01/193360501.db2.gz BKIFBKTULWBEDC-UHFFFAOYSA-N 1 0 302.300 1.707 10 0 DDAERO Cc1cc(NC(=O)[C@]2(C)COC[C@H]2[NH3+])ncc1Br ZINC000094063680 193342562 /nfs/dbraw/zinc/34/25/62/193342562.db2.gz JCUFGLZEEOBVLY-BXKDBHETSA-N 1 0 314.183 1.455 10 0 DDAERO Clc1cnc(-c2noc(CN3CC[NH2+]CC3)n2)c(Cl)c1 ZINC000094199295 193348716 /nfs/dbraw/zinc/34/87/16/193348716.db2.gz ASYDLFBEYZGJKH-UHFFFAOYSA-N 1 0 314.176 1.844 10 0 DDAERO Cc1nc(C[C@H]([NH3+])[C@H]2CCC[C@H](S(C)(=O)=O)C2)cs1 ZINC000094642185 193388803 /nfs/dbraw/zinc/38/88/03/193388803.db2.gz PSEYZHIOTUCMJF-DRZSPHRISA-N 1 0 302.465 1.925 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000094439528 193369509 /nfs/dbraw/zinc/36/95/09/193369509.db2.gz PNOVRQVORQJZTD-CQSZACIVSA-N 1 0 309.435 1.004 10 0 DDAERO Nc1ccc(Cl)cc1NC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094457422 193371622 /nfs/dbraw/zinc/37/16/22/193371622.db2.gz IREGAFIHCYGWDT-GFCCVEGCSA-N 1 0 308.813 1.641 10 0 DDAERO C[NH2+][C@H](Cc1ncnn1CC(C)C)[C@@H]1CSCCS1 ZINC000094499068 193374306 /nfs/dbraw/zinc/37/43/06/193374306.db2.gz DDPDCGDKPNQHBD-NEPJUHHUSA-N 1 0 300.497 1.913 10 0 DDAERO CCC[NH2+][C@@H](CCCS(=O)(=O)CC)[C@@H]1CSCCO1 ZINC000094504797 193375000 /nfs/dbraw/zinc/37/50/00/193375000.db2.gz WWBASEHFLSFZQI-STQMWFEESA-N 1 0 309.497 1.702 10 0 DDAERO CC[NH2+][C@@H](Cc1c(F)cccc1Cl)[C@H]1CN2CCN1CC2 ZINC000094510294 193376239 /nfs/dbraw/zinc/37/62/39/193376239.db2.gz DSTZGMSNUGLSLR-JKSUJKDBSA-N 1 0 311.832 2.000 10 0 DDAERO COC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094570403 193380659 /nfs/dbraw/zinc/38/06/59/193380659.db2.gz IVBUKBSKAFQPPH-ZJUUUORDSA-N 1 0 312.391 1.596 10 0 DDAERO C[C@@]1(C(=O)Nc2cc(Br)ccc2O)COC[C@@H]1[NH3+] ZINC000094573748 193381271 /nfs/dbraw/zinc/38/12/71/193381271.db2.gz HDGGDXTYABLGQW-CMPLNLGQSA-N 1 0 315.167 1.457 10 0 DDAERO [NH3+][C@@]1(C(=O)Nc2cc(Br)ccc2O)CCOC1 ZINC000094573529 193381442 /nfs/dbraw/zinc/38/14/42/193381442.db2.gz UDARUEOFQALJDU-NSHDSACASA-N 1 0 301.140 1.211 10 0 DDAERO [NH3+]C[C@H]1CC[C@H](C(=O)NCc2ccccc2C(F)(F)F)O1 ZINC000094571555 193381766 /nfs/dbraw/zinc/38/17/66/193381766.db2.gz DYPKMVPSYAXASR-ZYHUDNBSSA-N 1 0 302.296 1.828 10 0 DDAERO Brc1cccn2nc(NCC[C@@H]3CC[NH2+]C3)nc12 ZINC000094608190 193384397 /nfs/dbraw/zinc/38/43/97/193384397.db2.gz KYHHMRGABBLFMF-VIFPVBQESA-N 1 0 310.199 1.903 10 0 DDAERO COC(=O)c1ccc(C[N@H+](CC(N)=S)C2CCCC2)nc1 ZINC000094761735 193395336 /nfs/dbraw/zinc/39/53/36/193395336.db2.gz VLQKMHOJZYQIHV-UHFFFAOYSA-N 1 0 307.419 1.899 10 0 DDAERO CC[NH2+]Cc1sccc1S(=O)(=O)NC[C@]1(C)CCCO1 ZINC000094815118 193399916 /nfs/dbraw/zinc/39/99/16/193399916.db2.gz QFUUBVNFEOLUTO-ZDUSSCGKSA-N 1 0 318.464 1.705 10 0 DDAERO CO[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CCOC1 ZINC000288359869 220107588 /nfs/dbraw/zinc/10/75/88/220107588.db2.gz UJBJLJAYBBLTIB-QGPMSJSTSA-N 1 0 318.417 1.571 10 0 DDAERO [NH3+][C@@H](C(=O)N1CCN(c2nccs2)CC1)c1ccccc1 ZINC000019231306 182109665 /nfs/dbraw/zinc/10/96/65/182109665.db2.gz VQBDUUPVTYBUOK-CYBMUJFWSA-N 1 0 302.403 1.492 10 0 DDAERO C[C@H]([NH2+][C@@H]1CN2CCC1CC2)c1ccc(S(C)(=O)=O)cc1 ZINC000020023539 182179604 /nfs/dbraw/zinc/17/96/04/182179604.db2.gz BRXUSJCGZBZYPA-BLLLJJGKSA-N 1 0 308.447 1.835 10 0 DDAERO Cc1cc(Br)cc(C)c1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000020434590 182217206 /nfs/dbraw/zinc/21/72/06/182217206.db2.gz KSBVWCBHWWWGOC-GHMZBOCLSA-N 1 0 313.195 1.727 10 0 DDAERO COc1ccc(CNS(=O)(=O)c2cccc(C[NH3+])c2)cc1 ZINC000021020672 182261488 /nfs/dbraw/zinc/26/14/88/182261488.db2.gz JJYJGKSDHWHMPD-UHFFFAOYSA-N 1 0 306.387 1.632 10 0 DDAERO C[C@@H]([NH2+]CCn1cccc(Br)c1=O)[C@@H]1CCCO1 ZINC000097911387 193766913 /nfs/dbraw/zinc/76/69/13/193766913.db2.gz YLGHYAAXZLBIBF-PWSUYJOCSA-N 1 0 315.211 1.768 10 0 DDAERO O=C(NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)NC1CC1 ZINC000172117516 248324946 /nfs/dbraw/zinc/32/49/46/248324946.db2.gz JHFZRJGETRPAQX-QGZVFWFLSA-N 1 0 317.433 1.894 10 0 DDAERO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(OC)c(N)c2)C1 ZINC000040501829 183083209 /nfs/dbraw/zinc/08/32/09/183083209.db2.gz MBDJWGGLVJXQAP-NSHDSACASA-N 1 0 313.423 1.040 10 0 DDAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)C1 ZINC000040502741 183084849 /nfs/dbraw/zinc/08/48/49/183084849.db2.gz HOMWUPDMHFWWGK-JSGCOSHPSA-N 1 0 311.451 1.469 10 0 DDAERO O=C([C@@H]1CCCN1Cc1cccc(Cl)c1)N1CC[NH2+]CC1 ZINC000040508134 183085369 /nfs/dbraw/zinc/08/53/69/183085369.db2.gz NGNDZPFZCOWPTI-HNNXBMFYSA-N 1 0 307.825 1.736 10 0 DDAERO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccccc2OC(F)(F)F)C1 ZINC000040630277 183111947 /nfs/dbraw/zinc/11/19/47/183111947.db2.gz UTXCOWUWXUWSJO-WCBMZHEXSA-N 1 0 304.268 1.901 10 0 DDAERO CCC[NH+]1CCC(NS(=O)(=O)c2cnc(Cl)s2)CC1 ZINC000040805241 183135974 /nfs/dbraw/zinc/13/59/74/183135974.db2.gz HLMNLQAKTCIXIN-UHFFFAOYSA-N 1 0 323.871 1.949 10 0 DDAERO Cc1n[nH]c(C)c1S(=O)(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000040809496 183136600 /nfs/dbraw/zinc/13/66/00/183136600.db2.gz HXJBYVRWIGOOAH-GFCCVEGCSA-N 1 0 302.444 1.281 10 0 DDAERO Nc1cc(N)[nH+]c(SCCC(=O)Nc2ccccc2N)n1 ZINC000041023459 183156776 /nfs/dbraw/zinc/15/67/76/183156776.db2.gz WFPAQVDFUINMJX-UHFFFAOYSA-N 1 0 304.379 1.344 10 0 DDAERO C[NH2+]Cc1cccc(Br)c1OC[C@@H](C)C(N)=O ZINC000042411527 183265471 /nfs/dbraw/zinc/26/54/71/183265471.db2.gz JKSZYHGZQZRBRU-MRVPVSSYSA-N 1 0 301.184 1.669 10 0 DDAERO CNC(=O)[C@@H](C)Oc1c(Br)cccc1CC[NH3+] ZINC000042412729 183265939 /nfs/dbraw/zinc/26/59/39/183265939.db2.gz UVALKBMWIPSVGI-MRVPVSSYSA-N 1 0 301.184 1.464 10 0 DDAERO COC(=O)COc1c(Br)cccc1C[C@@H](C)[NH3+] ZINC000042412801 183266873 /nfs/dbraw/zinc/26/68/73/183266873.db2.gz PRCNEZNFLJTTFJ-MRVPVSSYSA-N 1 0 302.168 1.891 10 0 DDAERO CC[NH2+]C[C@H](O)CN(C)Cc1ccccc1Br ZINC000042441057 183270052 /nfs/dbraw/zinc/27/00/52/183270052.db2.gz JAYZHNKMJIDNMJ-LBPRGKRZSA-N 1 0 301.228 1.851 10 0 DDAERO CCC[NH2+]Cc1c(N(C)C[C@@H](O)COC)nc2sccn12 ZINC000042511816 183278468 /nfs/dbraw/zinc/27/84/68/183278468.db2.gz RJORUSNFMOGTBT-LLVKDONJSA-N 1 0 312.439 1.339 10 0 DDAERO COC[C@H](O)C[N@H+](C)Cc1ccc(OC)c(Br)c1 ZINC000042514060 183278718 /nfs/dbraw/zinc/27/87/18/183278718.db2.gz MASYRVXQCUXSCP-LLVKDONJSA-N 1 0 318.211 1.897 10 0 DDAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)NCc2c[nH]nc2C)cc1 ZINC000042356708 183257641 /nfs/dbraw/zinc/25/76/41/183257641.db2.gz KMZWXGBVQKWJQG-SNVBAGLBSA-N 1 0 308.407 1.477 10 0 DDAERO C[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(CCO)CCO ZINC000042954085 183321898 /nfs/dbraw/zinc/32/18/98/183321898.db2.gz YAPDWFFQGHYVQM-GWCFXTLKSA-N 1 0 317.227 1.124 10 0 DDAERO CC[C@@H]([NH3+])[C@@H](c1cccc(C)c1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000042966683 183324504 /nfs/dbraw/zinc/32/45/04/183324504.db2.gz CBKCXRCUVAGVBP-BZUAXINKSA-N 1 0 310.463 1.892 10 0 DDAERO C[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N1CCNC(=O)C1 ZINC000043019927 183328932 /nfs/dbraw/zinc/32/89/32/183328932.db2.gz YVGAJMRSPCBKAY-ZANVPECISA-N 1 0 312.211 1.269 10 0 DDAERO C[C@H]([NH3+])[C@H](c1cccc(Br)c1)N(CCO)CCO ZINC000043021073 183329843 /nfs/dbraw/zinc/32/98/43/183329843.db2.gz IGGJWPZPGMWHQC-GXFFZTMASA-N 1 0 317.227 1.124 10 0 DDAERO CC(C)N(CC(N)=O)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043021648 183330162 /nfs/dbraw/zinc/33/01/62/183330162.db2.gz ZVNJQLMQPORMNO-LBPRGKRZSA-N 1 0 314.227 1.645 10 0 DDAERO CC(C)[NH2+]CCCS(=O)(=O)N(CC(F)(F)F)C(C)C ZINC000042782510 183309165 /nfs/dbraw/zinc/30/91/65/183309165.db2.gz BUSORDRDLNQLGB-UHFFFAOYSA-N 1 0 304.378 1.977 10 0 DDAERO Cc1ccc(C(N)=[NH2+])c(Oc2cccc(S(C)(=O)=O)c2)n1 ZINC000043401625 183359097 /nfs/dbraw/zinc/35/90/97/183359097.db2.gz SSUGGWDGBSTZNC-UHFFFAOYSA-N 1 0 305.359 1.870 10 0 DDAERO CC[NH2+]Cc1ccc(OCC(=O)N[C@@H](C)COC)c(Cl)c1 ZINC000043478819 183365988 /nfs/dbraw/zinc/36/59/88/183365988.db2.gz JSVVIFYCBSHPSZ-NSHDSACASA-N 1 0 314.813 1.979 10 0 DDAERO COCCNC(=O)[C@H](C)Oc1ccc(CC[NH3+])cc1Cl ZINC000043490744 183366316 /nfs/dbraw/zinc/36/63/16/183366316.db2.gz SLORYOVSBDLSTR-JTQLQIEISA-N 1 0 300.786 1.371 10 0 DDAERO CC(C)CN(CCC[NH3+])S(=O)(=O)c1cc(F)ccc1F ZINC000043417006 183360597 /nfs/dbraw/zinc/36/05/97/183360597.db2.gz PTOPGZQEASMZRR-UHFFFAOYSA-N 1 0 306.378 1.960 10 0 DDAERO C[NH+](C)C(C)(C)CNS(=O)(=O)c1ccc2c(c1)CCCN2 ZINC000043412232 183361277 /nfs/dbraw/zinc/36/12/77/183361277.db2.gz YALJYKNDZOWZIF-UHFFFAOYSA-N 1 0 311.451 1.663 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@@H]32)s1 ZINC000043428299 183361472 /nfs/dbraw/zinc/36/14/72/183361472.db2.gz FFKMDBANABUMLK-NWDGAFQWSA-N 1 0 316.448 1.539 10 0 DDAERO C[NH2+][C@H]1CCC2(C[C@H]1N(CC(F)(F)F)C1CC1)OCCO2 ZINC000043982683 183392038 /nfs/dbraw/zinc/39/20/38/183392038.db2.gz SHGKOEJDDXYPSV-NWDGAFQWSA-N 1 0 308.344 1.897 10 0 DDAERO CO[C@H]1C[C@@H](CN(C)c2ncc(Br)cn2)[N@H+](C)C1 ZINC000284650589 218116396 /nfs/dbraw/zinc/11/63/96/218116396.db2.gz WSPJCTZIRWJLRM-QWRGUYRKSA-N 1 0 315.215 1.394 10 0 DDAERO C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000105325349 194096812 /nfs/dbraw/zinc/09/68/12/194096812.db2.gz ZNYAGUOHOYQEQI-HIFRSBDPSA-N 1 0 318.421 1.749 10 0 DDAERO CC[NH+](CC)CC(=O)N1CCCN(Cc2csc(C)n2)CC1 ZINC000105819555 194135656 /nfs/dbraw/zinc/13/56/56/194135656.db2.gz JXFDSTZWGBFKFB-UHFFFAOYSA-N 1 0 324.494 1.828 10 0 DDAERO COC(=O)[C@H](C)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915359 194168162 /nfs/dbraw/zinc/16/81/62/194168162.db2.gz XQMSLHGUCWYOAZ-YOEHRIQHSA-N 1 0 320.433 1.583 10 0 DDAERO Cc1ccc(NC(=O)[C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cc1C ZINC000105932817 194173537 /nfs/dbraw/zinc/17/35/37/194173537.db2.gz WRFYWCPHGOWEPJ-GDBMZVCRSA-N 1 0 305.422 1.551 10 0 DDAERO CC[C@H]1CN(Cc2cc(C(=O)OC)c(C)o2)CC[N@@H+]1CCOC ZINC000106116276 194187879 /nfs/dbraw/zinc/18/78/79/194187879.db2.gz RSBSYQFBIKOZDS-AWEZNQCLSA-N 1 0 324.421 1.917 10 0 DDAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCCn1ccnc1 ZINC000106454250 194215507 /nfs/dbraw/zinc/21/55/07/194215507.db2.gz KZSJEQWKZRTNGC-MRXNPFEDSA-N 1 0 300.406 1.562 10 0 DDAERO O=S(=O)(C[C@@H]1CCC[NH2+]C1)NCc1ccccc1Cl ZINC000049640905 183750836 /nfs/dbraw/zinc/75/08/36/183750836.db2.gz HLTWXFYEVOPPRG-LLVKDONJSA-N 1 0 302.827 1.759 10 0 DDAERO Cn1cc(S(=O)(=O)N(CCC[NH3+])c2ccccc2F)cn1 ZINC000050252087 183779418 /nfs/dbraw/zinc/77/94/18/183779418.db2.gz JRQMWGPMPLJUES-UHFFFAOYSA-N 1 0 312.370 1.103 10 0 DDAERO CCNc1ccc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)cn1 ZINC000050633285 183791688 /nfs/dbraw/zinc/79/16/88/183791688.db2.gz LJRIZBHQINSDJN-UHFFFAOYSA-N 1 0 314.455 1.380 10 0 DDAERO CCCNc1cc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)ccn1 ZINC000050675014 183799211 /nfs/dbraw/zinc/79/92/11/183799211.db2.gz CDGZHNVXPMRVEP-LBPRGKRZSA-N 1 0 314.455 1.522 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN(Cc2ccc(OC)cc2)CC1 ZINC000109469530 194266973 /nfs/dbraw/zinc/26/69/73/194266973.db2.gz ZLQZRFDCAUXRBK-OAHLLOKOSA-N 1 0 307.463 1.878 10 0 DDAERO CCOC(=O)[C@@](C)([NH3+])CCCCSc1nnc(C)n1C ZINC000110034029 194305254 /nfs/dbraw/zinc/30/52/54/194305254.db2.gz UTPXKJQNBDGISC-ZDUSSCGKSA-N 1 0 300.428 1.666 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H](Cc2ccccc2)C(N)=S)C1 ZINC000110272557 194319151 /nfs/dbraw/zinc/31/91/51/194319151.db2.gz JLJJGKXJOZFUJE-ZIAGYGMSSA-N 1 0 305.447 1.294 10 0 DDAERO C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)C(=O)N1CCOCC1 ZINC000053156395 183890174 /nfs/dbraw/zinc/89/01/74/183890174.db2.gz JHJVTHMCGCFCDQ-JTQLQIEISA-N 1 0 300.761 1.816 10 0 DDAERO CCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1cc(C)ccc1F ZINC000110941960 194371911 /nfs/dbraw/zinc/37/19/11/194371911.db2.gz YKGBAIOHTYDMEP-GFCCVEGCSA-N 1 0 300.399 1.897 10 0 DDAERO O=C1CC[C@@H]([NH2+]C[C@@H](O)c2cc(Cl)ccc2Cl)CN1 ZINC000111019784 194384716 /nfs/dbraw/zinc/38/47/16/194384716.db2.gz JKIITTAXZSZZLK-BXKDBHETSA-N 1 0 303.189 1.895 10 0 DDAERO CC(C)(C)OC(=O)NC1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000058041048 184070141 /nfs/dbraw/zinc/07/01/41/184070141.db2.gz XDQAHSKHJRRAOE-ZDUSSCGKSA-N 1 0 311.426 1.644 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(C(N)=O)ccc2C)C1 ZINC000058449367 184118791 /nfs/dbraw/zinc/11/87/91/184118791.db2.gz SVJGRFCRVPKMOY-ZDUSSCGKSA-N 1 0 304.394 1.700 10 0 DDAERO CC[NH2+]C[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000061267472 184167109 /nfs/dbraw/zinc/16/71/09/184167109.db2.gz FAJYAPJKHBAWQZ-NEPJUHHUSA-N 1 0 312.435 1.513 10 0 DDAERO CCCn1c(S[C@@H](C[NH3+])c2ccccc2OC)n[nH]c1=O ZINC000061594793 184176461 /nfs/dbraw/zinc/17/64/61/184176461.db2.gz ZUDSSCOTSFPSRM-LBPRGKRZSA-N 1 0 308.407 1.782 10 0 DDAERO CCCn1c(SCCCC[C@](C)([NH3+])C(=O)OC)n[nH]c1=O ZINC000061607991 184178076 /nfs/dbraw/zinc/17/80/76/184178076.db2.gz GCXHBCPJBKICDG-ZDUSSCGKSA-N 1 0 316.427 1.134 10 0 DDAERO C[NH+](C)C[C@@H]1CCCN1CC(=O)Nc1ccc(N)cc1Cl ZINC000061641683 184180166 /nfs/dbraw/zinc/18/01/66/184180166.db2.gz ZVRMVDUHILHJPE-LBPRGKRZSA-N 1 0 310.829 1.887 10 0 DDAERO CS(=O)(=O)c1cccc(OCc2cccnc2C(N)=[NH2+])c1 ZINC000061658784 184181077 /nfs/dbraw/zinc/18/10/77/184181077.db2.gz FIKSYANBCYNAQC-UHFFFAOYSA-N 1 0 305.359 1.348 10 0 DDAERO [NH3+]Cc1c(N2CCN(CC(F)(F)F)CC2)nc2sccn12 ZINC000061941842 184197314 /nfs/dbraw/zinc/19/73/14/184197314.db2.gz DBKHLGDALYYWKO-UHFFFAOYSA-N 1 0 319.356 1.539 10 0 DDAERO CCC[NH2+][C@@H]1CCOC[C@H]1N1CCN(CC(F)(F)F)CC1 ZINC000061941305 184197552 /nfs/dbraw/zinc/19/75/52/184197552.db2.gz RNPZTVCYVYKEKU-CHWSQXEVSA-N 1 0 309.376 1.323 10 0 DDAERO CC[NH2+][C@@H]1CCCCC[C@@H]1CN1CCN(S(C)(=O)=O)CC1 ZINC000062096376 184206173 /nfs/dbraw/zinc/20/61/73/184206173.db2.gz MWFDHUDCBUBPNI-HUUCEWRRSA-N 1 0 317.499 1.122 10 0 DDAERO O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000062113435 184206605 /nfs/dbraw/zinc/20/66/05/184206605.db2.gz REMOPWZMZBJVNH-MRVPVSSYSA-N 1 0 304.318 1.231 10 0 DDAERO COc1cccc(C[NH2+]CC(C)C)c1OCCS(C)(=O)=O ZINC000062732273 184251555 /nfs/dbraw/zinc/25/15/55/184251555.db2.gz IYJLVAQEPKXGHA-UHFFFAOYSA-N 1 0 315.435 1.864 10 0 DDAERO C[C@@H]1CN[C@H](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C[NH2+]1 ZINC000062814706 184254119 /nfs/dbraw/zinc/25/41/19/184254119.db2.gz YLSLDNFLOKNUQQ-HQJQHLMTSA-N 1 0 305.275 1.733 10 0 DDAERO Nc1cc(F)ccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062975734 184264086 /nfs/dbraw/zinc/26/40/86/184264086.db2.gz KAKCXISHVWVAEP-GFCCVEGCSA-N 1 0 313.398 1.267 10 0 DDAERO Nc1csc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000062975763 184264090 /nfs/dbraw/zinc/26/40/90/184264090.db2.gz MYENENMCLJOSPS-NSHDSACASA-N 1 0 301.437 1.189 10 0 DDAERO NC(=[NH2+])c1ccc(N2CC[C@H](N3CCOCC3)C2)c(Cl)c1 ZINC000062980616 184264318 /nfs/dbraw/zinc/26/43/18/184264318.db2.gz GDLSBBKUTMXLRY-LBPRGKRZSA-N 1 0 308.813 1.535 10 0 DDAERO CN(CC[NH+]1CCCC1)c1ncc(Br)cc1CO ZINC000063052658 184268739 /nfs/dbraw/zinc/26/87/39/184268739.db2.gz YVVKJPIXAKMFBN-UHFFFAOYSA-N 1 0 314.227 1.868 10 0 DDAERO [NH3+][C@@H]1CCC[C@H]1NS(=O)(=O)c1cccc(Br)c1 ZINC000063174893 184276048 /nfs/dbraw/zinc/27/60/48/184276048.db2.gz GIGISWNCOXZSMN-GHMZBOCLSA-N 1 0 319.224 1.607 10 0 DDAERO [NH3+]Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000063191118 184276996 /nfs/dbraw/zinc/27/69/96/184276996.db2.gz KTTNMYKEEVYUDV-UHFFFAOYSA-N 1 0 304.371 1.881 10 0 DDAERO CCO[C@@H](C)c1noc(CN2CCC[C@H](Cn3cncn3)C2)n1 ZINC000120769786 195233412 /nfs/dbraw/zinc/23/34/12/195233412.db2.gz VEEZUIUVSNVVHT-STQMWFEESA-N 1 0 320.397 1.671 10 0 DDAERO O=C([C@@H]1CCO[C@@H]2CC[N@H+](CC3CCC3)C[C@@H]21)N1CCCO1 ZINC000096043532 256553935 /nfs/dbraw/zinc/55/39/35/256553935.db2.gz HSDSRCVYBLABNR-BZUAXINKSA-N 1 0 308.422 1.677 10 0 DDAERO Cn1cnc2c1[C@@H](C(=O)NCCc1cccs1)C[N@H+](C)C2 ZINC000248165662 257107403 /nfs/dbraw/zinc/10/74/03/257107403.db2.gz ZOROCPGUXJMXMT-LBPRGKRZSA-N 1 0 304.419 1.370 10 0 DDAERO COCC[N@@H+]1CC[C@@H]2C[C@@H](C(=O)NCc3ccco3)O[C@@H]2C1 ZINC000247824606 257117023 /nfs/dbraw/zinc/11/70/23/257117023.db2.gz FIHFMEVTAVZWCH-VHDGCEQUSA-N 1 0 308.378 1.022 10 0 DDAERO COCC[N@@H+]1CC[C@@H]2O[C@H](C(=O)NCc3cccs3)CC[C@@H]21 ZINC000247814769 257117249 /nfs/dbraw/zinc/11/72/49/257117249.db2.gz ARKGJIGAHDDQAP-KKUMJFAQSA-N 1 0 324.446 1.633 10 0 DDAERO O=C(NC[C@@H]1OC[C@H]2CC[N@H+](Cc3ccco3)C[C@@H]12)C1CC1 ZINC000247355532 257119774 /nfs/dbraw/zinc/11/97/74/257119774.db2.gz CZJDQNFDLHJJOI-BMFZPTHFSA-N 1 0 304.390 1.643 10 0 DDAERO c1csc(C[N@@H+]2C[C@@H]3CCN(c4ncccn4)C[C@@H]3C2)n1 ZINC000253596349 257105459 /nfs/dbraw/zinc/10/54/59/257105459.db2.gz QJGBHHXVLWTUBX-STQMWFEESA-N 1 0 301.419 1.891 10 0 DDAERO Fc1cnc(N2CCO[C@H]3CN(Cc4ccoc4)C[C@@H]32)nc1 ZINC000503717025 257209436 /nfs/dbraw/zinc/20/94/36/257209436.db2.gz LHIPARXLCYJQLQ-KBPBESRZSA-N 1 0 304.325 1.298 10 0 DDAERO Cc1cc2c(cc1C)O[C@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)C2 ZINC000173522440 292005218 /nfs/dbraw/zinc/00/52/18/292005218.db2.gz GZIRPUSXOILELP-RDJZCZTQSA-N 1 0 318.417 1.396 10 0 DDAERO Cc1ccc(N2CC[C@H](N3CCO[C@@H](C[NH+](C)C)C3)C2=O)cc1 ZINC000247003935 292138505 /nfs/dbraw/zinc/13/85/05/292138505.db2.gz TYWRQDMTKBJVLS-IRXDYDNUSA-N 1 0 317.433 1.363 10 0 DDAERO [NH3+][C@H](C(=O)Nc1cnn(Cc2ccncc2)c1)C1CCOCC1 ZINC000261638507 407562813 /nfs/dbraw/zinc/56/28/13/407562813.db2.gz DGZUQZYTOZPHGE-HNNXBMFYSA-N 1 0 315.377 1.019 10 0 DDAERO Cc1cccnc1C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000071339682 406839527 /nfs/dbraw/zinc/83/95/27/406839527.db2.gz YCTWGOHBYKFFFB-LBPRGKRZSA-N 1 0 305.403 1.888 10 0 DDAERO C[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccccc1)C(=O)N(C)C ZINC000045185481 407041424 /nfs/dbraw/zinc/04/14/24/407041424.db2.gz BRXHUMOEKWAQLE-GXTWGEPZSA-N 1 0 306.410 1.065 10 0 DDAERO CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](C)[NH+](CC)CC ZINC000087133777 407117917 /nfs/dbraw/zinc/11/79/17/407117917.db2.gz DQUWNUHBKYHDAG-QWHCGFSZSA-N 1 0 322.457 1.705 10 0 DDAERO CCCCNC(=O)[C@H]1CCC[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000051581383 407141118 /nfs/dbraw/zinc/14/11/18/407141118.db2.gz ATHUUKROSFXLBB-GJZGRUSLSA-N 1 0 314.470 1.791 10 0 DDAERO C[C@H]1CN(C(=O)c2cc(Br)c[nH]2)C[C@@H]1[NH+](C)C ZINC000089710095 407145363 /nfs/dbraw/zinc/14/53/63/407145363.db2.gz SYAVJLZRIXXFBW-KWQFWETISA-N 1 0 300.200 1.799 10 0 DDAERO C[NH+](C)C[C@@H](NC(=O)CN1CCCCCC1=O)c1ccccc1 ZINC000052555266 407152305 /nfs/dbraw/zinc/15/23/05/407152305.db2.gz VIDQBBONDWJFQR-MRXNPFEDSA-N 1 0 317.433 1.808 10 0 DDAERO CS(=O)(=O)Nc1ccccc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307319 407182161 /nfs/dbraw/zinc/18/21/61/407182161.db2.gz 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[NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1cccc(CN2CCOCC2)c1 ZINC000261864404 484258678 /nfs/dbraw/zinc/25/86/78/484258678.db2.gz XGEUABOLDNHNGW-NVXWUHKLSA-N 1 0 317.433 1.832 10 0 DDAERO CCOc1cc(CNC[C@H]2C[NH2+]C[C@H]2O)cc(Cl)c1OC ZINC000262143639 484263904 /nfs/dbraw/zinc/26/39/04/484263904.db2.gz PYZXEBPLCFZZGT-WCQYABFASA-N 1 0 314.813 1.417 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(-c2ccc(F)cc2)s1 ZINC000262296894 484268066 /nfs/dbraw/zinc/26/80/66/484268066.db2.gz PGQUHPFAEGNLRH-AAEUAGOBSA-N 1 0 320.389 1.864 10 0 DDAERO O=C(Cc1csc(-c2cccs2)n1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262351656 484268942 /nfs/dbraw/zinc/26/89/42/484268942.db2.gz UNISMQLVXMXWDU-KOLCDFICSA-N 1 0 323.443 1.111 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc(Cl)cc2cccnc21 ZINC000262357784 484269746 /nfs/dbraw/zinc/26/97/46/484269746.db2.gz UWSTWDNCZGDTFL-ZWNOBZJWSA-N 1 0 305.765 1.198 10 0 DDAERO O=C(Cc1ccc(Cl)c(Cl)c1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262356438 484269847 /nfs/dbraw/zinc/26/98/47/484269847.db2.gz UTXSYXXPMIAOPJ-BXKDBHETSA-N 1 0 303.189 1.232 10 0 DDAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1ccc(Br)c(Cl)c1 ZINC000263123483 484274492 /nfs/dbraw/zinc/27/44/92/484274492.db2.gz BCLDLXLJRDUISG-BXKDBHETSA-N 1 0 319.630 1.772 10 0 DDAERO O=C(Cc1ccc(Br)cc1F)NC[C@@H]1CC[NH2+]C1 ZINC000659304536 484753638 /nfs/dbraw/zinc/75/36/38/484753638.db2.gz OBLHGNLGPKZYOG-SECBINFHSA-N 1 0 315.186 1.856 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)Nc1cccc(Br)c1 ZINC000414666245 534603618 /nfs/dbraw/zinc/60/36/18/534603618.db2.gz GAZPNIQLXZITBK-GZMMTYOYSA-N 1 0 314.183 1.151 10 0 DDAERO O=C(c1cc(Cl)ccc1Cl)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000299742990 534658843 /nfs/dbraw/zinc/65/88/43/534658843.db2.gz LIRUXOONEIHKMT-NEPJUHHUSA-N 1 0 301.173 1.806 10 0 DDAERO O=C1[C@@H]([N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)CCN1C1CC1 ZINC000329148252 534826434 /nfs/dbraw/zinc/82/64/34/534826434.db2.gz BGLWMCCUAORPOS-WFASDCNBSA-N 1 0 315.421 1.556 10 0 DDAERO Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000157905729 526621547 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CCC1(CC)CN(CN2CC[C@@H](N3CCOCC3)C2)C(=O)O1 ZINC000180250762 697446602 /nfs/dbraw/zinc/44/66/02/697446602.db2.gz FXJLMQDHPIOUNR-CQSZACIVSA-N 1 0 311.426 1.361 10 0 DDAERO O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)[NH2+]Cc2ccc(F)nc2)cc1 ZINC000189111956 697571470 /nfs/dbraw/zinc/57/14/70/697571470.db2.gz VUSIHQCBEJFZAM-DZGCQCFKSA-N 1 0 321.308 1.313 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](O)c1ccccc1OC ZINC000192987311 697646571 /nfs/dbraw/zinc/64/65/71/697646571.db2.gz AAMPXFLFUHQUCG-ZFWWWQNUSA-N 1 0 323.437 1.758 10 0 DDAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)Cc1csc(-c2cccnc2)n1 ZINC000238033465 697816142 /nfs/dbraw/zinc/81/61/42/697816142.db2.gz ZXYNBVUVZVNXJX-SMDDNHRTSA-N 1 0 316.430 1.991 10 0 DDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000246724012 698354394 /nfs/dbraw/zinc/35/43/94/698354394.db2.gz XTBOGYJCJZHUMB-USXIJHARSA-N 1 0 319.449 1.238 10 0 DDAERO CCO[C@@H]1C[C@@H]([N@H+](C)CN2CC(=O)N(CC)C2=O)C12CCCC2 ZINC000247027251 698359913 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NC(=O)C1CC([NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000716783409 699284624 /nfs/dbraw/zinc/28/46/24/699284624.db2.gz SUCKRMIDEZPDIO-NHNAUAITSA-N 1 0 313.195 1.336 10 0 DDAERO C[C@H](COCc1ccccc1)NC(=O)c1c(C[NH3+])cnn1C ZINC000719214486 699299502 /nfs/dbraw/zinc/29/95/02/699299502.db2.gz YZVZSULBPCEZJN-GFCCVEGCSA-N 1 0 302.378 1.214 10 0 DDAERO C[C@H](NCc1cn(C)nc1Br)[C@H]1CCC[NH2+]C1 ZINC000720665961 699307720 /nfs/dbraw/zinc/30/77/20/699307720.db2.gz OGCAEPYZQLMKPI-UWVGGRQHSA-N 1 0 301.232 1.660 10 0 DDAERO O=C(NCc1ccn2ccnc2c1)c1cn[nH]c1[C@@H]1CCCC[NH2+]1 ZINC000864790348 706264181 /nfs/dbraw/zinc/26/41/81/706264181.db2.gz BIXPDPJOOWCIDK-AWEZNQCLSA-N 1 0 324.388 1.802 10 0 DDAERO O[C@]1(Cc2nc(C3CC3)no2)CCC[N@H+](Cc2cc[nH]c2)C1 ZINC000886079081 708693767 /nfs/dbraw/zinc/69/37/67/708693767.db2.gz HCIFNLCVVIMADA-INIZCTEOSA-N 1 0 302.378 1.845 10 0 DDAERO CCn1nc(C)c(C[NH2+]C[C@H]2CCO[C@@H]2c2cnn(C)c2)n1 ZINC000886085189 708695393 /nfs/dbraw/zinc/69/53/93/708695393.db2.gz 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CC[C@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CCCO1 ZINC000128510889 539183472 /nfs/dbraw/zinc/18/34/72/539183472.db2.gz UYKLEAPJFPEXHA-KKUMJFAQSA-N 1 0 313.442 1.090 10 0 DDAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000087517975 185227533 /nfs/dbraw/zinc/22/75/33/185227533.db2.gz NQYFSYYOGRIELC-VIFPVBQESA-N 1 0 320.361 1.996 10 0 DDAERO CC(C)[C@@H](C[NH3+])C(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000087520148 185227583 /nfs/dbraw/zinc/22/75/83/185227583.db2.gz BTWREABIDOCREZ-SECBINFHSA-N 1 0 319.814 1.157 10 0 DDAERO CC[NH2+][C@](C)(CC(=O)OCC)c1ccc(S(C)(=O)=O)cc1 ZINC000087548664 185228043 /nfs/dbraw/zinc/22/80/43/185228043.db2.gz PEHNJEAIOHSGJE-OAHLLOKOSA-N 1 0 313.419 1.868 10 0 DDAERO Cc1nnc(SC[C@@H]2COc3ccccc3O2)n1CC[NH3+] ZINC000087715343 185231042 /nfs/dbraw/zinc/23/10/42/185231042.db2.gz VLDDRZQKLQHVTC-NSHDSACASA-N 1 0 306.391 1.477 10 0 DDAERO CCC[NH2+][C@H](CCC)[C@H](CC)S(=O)(=O)CCC(=O)OC ZINC000081974968 192347505 /nfs/dbraw/zinc/34/75/05/192347505.db2.gz DHSSWYJZMIETHV-OLZOCXBDSA-N 1 0 307.456 1.911 10 0 DDAERO CCC[NH2+][C@H]1CCCCC[C@@H]1S(=O)(=O)CCC(=O)OC ZINC000081975058 192347631 /nfs/dbraw/zinc/34/76/31/192347631.db2.gz ZLCBUJGNNGJVNX-STQMWFEESA-N 1 0 305.440 1.665 10 0 DDAERO NNc1[nH+]cc(Br)cc1C(=O)NCc1ccon1 ZINC000088054729 185237835 /nfs/dbraw/zinc/23/78/35/185237835.db2.gz TWGUBKPCLYZDTP-UHFFFAOYSA-N 1 0 312.127 1.048 10 0 DDAERO O=S(=O)(Nc1ccc(F)c(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000088056348 185238198 /nfs/dbraw/zinc/23/81/98/185238198.db2.gz CGCUYLCBKQIYAH-QMMMGPOBSA-N 1 0 312.288 1.948 10 0 DDAERO Cc1ccc2[nH]c(SC[C@@H](O)CN3CC[NH2+]CC3)nc2c1 ZINC000088062108 185238674 /nfs/dbraw/zinc/23/86/74/185238674.db2.gz QQTLRZWYDOKDNF-LBPRGKRZSA-N 1 0 306.435 1.230 10 0 DDAERO C[C@H]([NH3+])CS(=O)(=O)Cc1cc(F)cc(Br)c1 ZINC000088070199 185238687 /nfs/dbraw/zinc/23/86/87/185238687.db2.gz IXGSRVSYEBVEOJ-ZETCQYMHSA-N 1 0 310.188 1.850 10 0 DDAERO COc1ccc(CN(C)CC[NH+]2CCCC2)cc1C(N)=S ZINC000087832648 185232707 /nfs/dbraw/zinc/23/27/07/185232707.db2.gz KUDHFZWJUQPRKQ-UHFFFAOYSA-N 1 0 307.463 1.857 10 0 DDAERO CC[N@@H+]1CCN(Cc2ccc(OC)c(C(N)=S)c2)C[C@@H]1C ZINC000087832659 185232919 /nfs/dbraw/zinc/23/29/19/185232919.db2.gz QCGPUOZAOJYVCH-LBPRGKRZSA-N 1 0 307.463 1.855 10 0 DDAERO C[C@H](Cn1ccnc1)Nc1nc(NN)[nH+]cc1Br ZINC000087865653 185233819 /nfs/dbraw/zinc/23/38/19/185233819.db2.gz QMHOJTKPZDOGBD-SSDOTTSWSA-N 1 0 312.175 1.222 10 0 DDAERO CN(C[C@@H]1CCCO1)c1nc(NN)[nH+]cc1Br ZINC000087864433 185233848 /nfs/dbraw/zinc/23/38/48/185233848.db2.gz HCYUYHVZCLGOGN-ZETCQYMHSA-N 1 0 302.176 1.140 10 0 DDAERO CCC[NH2+][C@H]1CC(C)(C)Cc2c1cnn2CCS(C)(=O)=O ZINC000087862653 185233858 /nfs/dbraw/zinc/23/38/58/185233858.db2.gz UMGLOAJSICHJHS-ZDUSSCGKSA-N 1 0 313.467 1.941 10 0 DDAERO NNc1nc(NCC[C@H]2CCCO2)c(Br)c[nH+]1 ZINC000087867862 185234022 /nfs/dbraw/zinc/23/40/22/185234022.db2.gz AVZKRXXSEDJPBF-SSDOTTSWSA-N 1 0 302.176 1.506 10 0 DDAERO CCCc1cc(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)[nH]n1 ZINC000177444049 539230521 /nfs/dbraw/zinc/23/05/21/539230521.db2.gz PTUKBXVZOZGRDQ-CYBMUJFWSA-N 1 0 322.453 1.527 10 0 DDAERO Cc1noc([C@H](C)N2CCN(CC[NH+]3CCC(C)CC3)CC2)n1 ZINC000153812538 290654350 /nfs/dbraw/zinc/65/43/50/290654350.db2.gz DQRSIZWDCLSRGF-HNNXBMFYSA-N 1 0 321.469 1.789 10 0 DDAERO C[C@H]([NH2+]CC(=O)N(C)CC1CC1)c1ccc2c(c1)OCCO2 ZINC000181726775 539238428 /nfs/dbraw/zinc/23/84/28/539238428.db2.gz ASXHGGDGJPSICP-LBPRGKRZSA-N 1 0 304.390 1.977 10 0 DDAERO CCc1ccc([C@@H](COC)[NH2+]C[C@H](O)CN2CCCC2=O)o1 ZINC000184840902 539244950 /nfs/dbraw/zinc/24/49/50/539244950.db2.gz ZYBOAQQUXRRVNV-GXTWGEPZSA-N 1 0 310.394 1.102 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)Nc1cccc(SC)c1)C(C)C ZINC000183631984 539242595 /nfs/dbraw/zinc/24/25/95/539242595.db2.gz JYRBMIFDQBFFSR-CQSZACIVSA-N 1 0 309.435 1.707 10 0 DDAERO C[C@H](C[NH3+])S(=O)(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000088471903 185251935 /nfs/dbraw/zinc/25/19/35/185251935.db2.gz NSBKWVGSGUQLPO-CAWJNUEYSA-N 1 0 300.468 1.858 10 0 DDAERO CC[C@H](C(N)=S)S(=O)(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC000088487082 185253348 /nfs/dbraw/zinc/25/33/48/185253348.db2.gz JZOIMNHTJVBRFW-NWDGAFQWSA-N 1 0 323.528 1.481 10 0 DDAERO O=S(=O)(C[C@@H]1CCCO1)N1CC[NH2+]CC12CCCCC2 ZINC000088396182 185248371 /nfs/dbraw/zinc/24/83/71/185248371.db2.gz RSTDVQKPGLNPHI-ZDUSSCGKSA-N 1 0 302.440 1.103 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)o1 ZINC000088544170 185256799 /nfs/dbraw/zinc/25/67/99/185256799.db2.gz LJXMSGPPFRTAHQ-QWHCGFSZSA-N 1 0 314.407 1.331 10 0 DDAERO Cc1[nH]c2ccc(NCc3ccc(S(N)(=O)=O)o3)cc2[nH+]1 ZINC000088539172 185255445 /nfs/dbraw/zinc/25/54/45/185255445.db2.gz MSAZLHIIHLRYGQ-UHFFFAOYSA-N 1 0 306.347 1.724 10 0 DDAERO C[NH+](C)Cc1ccccc1NCc1ccc(S(N)(=O)=O)o1 ZINC000088539192 185255512 /nfs/dbraw/zinc/25/55/12/185255512.db2.gz MVPOHWLEODFKDY-UHFFFAOYSA-N 1 0 309.391 1.601 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]2c2ccccc2)o1 ZINC000088543044 185256551 /nfs/dbraw/zinc/25/65/51/185256551.db2.gz VNWLONUGSKFODZ-ZIAGYGMSSA-N 1 0 306.387 1.833 10 0 DDAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N[C@H](CCC)COC)o1 ZINC000088551324 185257530 /nfs/dbraw/zinc/25/75/30/185257530.db2.gz DROYYGVMJZLRHA-GFCCVEGCSA-N 1 0 318.439 1.873 10 0 DDAERO CC[C@@H]1CN(c2ncnc3onc(C)c32)CC[N@@H+]1CCOC ZINC000193394337 539261254 /nfs/dbraw/zinc/26/12/54/539261254.db2.gz LJGVZFCWFVEMLC-GFCCVEGCSA-N 1 0 305.382 1.473 10 0 DDAERO CCOC(=O)[C@H]1C[NH2+]CCN1c1ncnc2sc(C)cc21 ZINC000088673162 185262003 /nfs/dbraw/zinc/26/20/03/185262003.db2.gz GIFSOJZEYHRQIE-LLVKDONJSA-N 1 0 306.391 1.341 10 0 DDAERO C[NH2+][C@@H](CCC(F)(F)F)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000088833199 185266485 /nfs/dbraw/zinc/26/64/85/185266485.db2.gz ZWFKVAHVZWFPCU-QMMMGPOBSA-N 1 0 301.268 1.819 10 0 DDAERO CS(=O)(=O)c1cccc(-c2nnc(CC[NH2+]C3CC3)s2)c1 ZINC000088823482 185266699 /nfs/dbraw/zinc/26/66/99/185266699.db2.gz CFRKSQZNQGHITK-UHFFFAOYSA-N 1 0 323.443 1.903 10 0 DDAERO O=S1(=O)C=C[C@H]([NH2+][C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000088855064 185267265 /nfs/dbraw/zinc/26/72/65/185267265.db2.gz PREUIEVIDAXZOL-HOTGVXAUSA-N 1 0 306.431 1.551 10 0 DDAERO COCCCS(=O)(=O)[C@H](C)[C@H]([NH3+])c1ccc(OC)cc1 ZINC000081985890 192349687 /nfs/dbraw/zinc/34/96/87/192349687.db2.gz HBCDPQAVZVLMAW-RISCZKNCSA-N 1 0 301.408 1.535 10 0 DDAERO CCn1cncc1[C@@H](C[NH3+])N1CCN(CC(F)(F)F)CC1 ZINC000090174327 185285033 /nfs/dbraw/zinc/28/50/33/185285033.db2.gz SUIJXNBMWATHAU-LLVKDONJSA-N 1 0 305.348 1.083 10 0 DDAERO C[NH2+][C@@H](C[S@](=O)CCCOC)c1cc(OC)ccc1OC ZINC000081998727 192353562 /nfs/dbraw/zinc/35/35/62/192353562.db2.gz JRXBTYGVEGOTPC-QKKBWIMNSA-N 1 0 315.435 1.750 10 0 DDAERO CCN(C1C[NH2+]C1)S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000090291448 185289649 /nfs/dbraw/zinc/28/96/49/185289649.db2.gz ZLUXBWMNNVGLNS-UHFFFAOYSA-N 1 0 305.403 1.526 10 0 DDAERO C[NH2+]Cc1cn(Cc2nc(-c3ccc(Cl)cc3)no2)nn1 ZINC000090295900 185289777 /nfs/dbraw/zinc/28/97/77/185289777.db2.gz YNKFLXRJTWPQKJ-UHFFFAOYSA-N 1 0 304.741 1.749 10 0 DDAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NC(=O)c1cccc(Br)c1 ZINC000090312003 185290386 /nfs/dbraw/zinc/29/03/86/185290386.db2.gz PWCASIDIVJODJL-TUAOUCFPSA-N 1 0 313.195 1.684 10 0 DDAERO O=C(c1cc(Br)ccc1F)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090321362 185291014 /nfs/dbraw/zinc/29/10/14/185291014.db2.gz NVRUKEXFXGXGIU-IUCAKERBSA-N 1 0 313.170 1.880 10 0 DDAERO C[C@H](C[NH3+])CSCC(=O)NC(=O)c1ccc(Cl)cc1 ZINC000090350755 185292032 /nfs/dbraw/zinc/29/20/32/185292032.db2.gz OJLXIGHEXKOEOM-SECBINFHSA-N 1 0 300.811 1.924 10 0 DDAERO [NH3+][C@@H]1COC[C@H]1c1nc(Cc2cccc(Br)c2)no1 ZINC000090364426 185292755 /nfs/dbraw/zinc/29/27/55/185292755.db2.gz OGOLROUZDRVRAR-GHMZBOCLSA-N 1 0 324.178 1.864 10 0 DDAERO CC[NH2+][C@H]1COC[C@H]1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000090492205 185299065 /nfs/dbraw/zinc/29/90/65/185299065.db2.gz HCGNMLSFVATDQD-MFKMUULPSA-N 1 0 300.761 1.720 10 0 DDAERO [NH3+][C@H]1COC[C@H]1C(=O)Nc1ccc(F)cc1Br ZINC000090379124 185293757 /nfs/dbraw/zinc/29/37/57/185293757.db2.gz XHRYKSKKXOGCLM-APPZFPTMSA-N 1 0 303.131 1.500 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000090431615 185295956 /nfs/dbraw/zinc/29/59/56/185295956.db2.gz NRPYNESANYWZNZ-KCJUWKMLSA-N 1 0 314.769 1.530 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1C(=O)NCc1ccccc1C(F)(F)F ZINC000090437518 185296083 /nfs/dbraw/zinc/29/60/83/185296083.db2.gz FBQBMJZRESNANA-JQWIXIFHSA-N 1 0 302.296 1.556 10 0 DDAERO CCC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1S(=O)(=O)CC(=O)OC ZINC000082009969 192353776 /nfs/dbraw/zinc/35/37/76/192353776.db2.gz DPCPQNUKSVLXMS-MCIONIFRSA-N 1 0 319.467 1.767 10 0 DDAERO C[C@@]1(C(=O)NCc2ccccc2C(F)(F)F)COC[C@H]1[NH3+] ZINC000090603540 185306160 /nfs/dbraw/zinc/30/61/60/185306160.db2.gz NUDPMBGFBOMGGE-DGCLKSJQSA-N 1 0 302.296 1.685 10 0 DDAERO CC[NH2+]CCc1c(CC)nn([C@@H]2CCS(=O)(=O)C2)c1CC ZINC000092320424 185312077 /nfs/dbraw/zinc/31/20/77/185312077.db2.gz JQBLCVWYGBOMIV-GFCCVEGCSA-N 1 0 313.467 1.520 10 0 DDAERO COCC[NH2+]CC(=O)Nc1ccc(Br)c(C)n1 ZINC000092510736 185323213 /nfs/dbraw/zinc/32/32/13/185323213.db2.gz YIOZEKPTEFZOHR-UHFFFAOYSA-N 1 0 302.172 1.327 10 0 DDAERO Cc1cc([C@H](C)NC(=O)c2cn(C3C[NH2+]C3)nn2)c(C)s1 ZINC000092700829 185333722 /nfs/dbraw/zinc/33/37/22/185333722.db2.gz BRARKZPWYWJEAA-VIFPVBQESA-N 1 0 305.407 1.592 10 0 DDAERO CCn1cnc(S(=O)(=O)N2CCC[C@H]2C2CC[NH2+]CC2)c1 ZINC000092910059 185348429 /nfs/dbraw/zinc/34/84/29/185348429.db2.gz KJSDBVVTIFGFCT-ZDUSSCGKSA-N 1 0 312.439 1.056 10 0 DDAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000092951590 185350317 /nfs/dbraw/zinc/35/03/17/185350317.db2.gz KCCPVPBZHNULRF-USZNOCQGSA-N 1 0 308.344 1.991 10 0 DDAERO C[C@H]1CN(Cc2cnc3ccc(Br)cn23)C[C@H]1[NH3+] ZINC000261918919 282289228 /nfs/dbraw/zinc/28/92/28/282289228.db2.gz BLPUBUOQNUSXEY-JOYOIKCWSA-N 1 0 309.211 1.876 10 0 DDAERO COC(=O)CNC(=O)CC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000181630767 199330701 /nfs/dbraw/zinc/33/07/01/199330701.db2.gz HHBUBFQTABGFKJ-SECBINFHSA-N 1 0 300.305 1.295 10 0 DDAERO CC[NH2+][C@H](C)[C@H]1CCCN(S(=O)(=O)c2cncc(F)c2)C1 ZINC000111713619 185628957 /nfs/dbraw/zinc/62/89/57/185628957.db2.gz GPHVJUGDRUFHBT-NEPJUHHUSA-N 1 0 315.414 1.619 10 0 DDAERO CC[NH2+][C@H](C)C1CCN(S(=O)(=O)c2c[nH]nc2C)CC1 ZINC000111714490 185629193 /nfs/dbraw/zinc/62/91/93/185629193.db2.gz LYGGMEMGWWWTGT-SNVBAGLBSA-N 1 0 300.428 1.117 10 0 DDAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@H]1c1ccccc1N ZINC000616635990 362765117 /nfs/dbraw/zinc/76/51/17/362765117.db2.gz OXHKECPLNIDFJP-HNNXBMFYSA-N 1 0 320.437 1.740 10 0 DDAERO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@@]23CCOc2ccccc23)C1 ZINC000261823490 290810247 /nfs/dbraw/zinc/81/02/47/290810247.db2.gz YGTAMGRQADOGMY-QIIPPGSGSA-N 1 0 300.402 1.937 10 0 DDAERO O=C(c1cn[nH]c1[C@@H]1CCCC[NH2+]1)N1CCOCC(F)(F)C1 ZINC000685942888 539566887 /nfs/dbraw/zinc/56/68/87/539566887.db2.gz SNGWCWPCOKBVGS-NSHDSACASA-N 1 0 314.336 1.332 10 0 DDAERO CN(CC[N@H+](C)CCO)Cc1ccsc1Br ZINC000623577046 365941182 /nfs/dbraw/zinc/94/11/82/365941182.db2.gz VJOKHFNHDCYSHY-UHFFFAOYSA-N 1 0 307.257 1.867 10 0 DDAERO Brc1cncc(OCC[NH2+]C[C@@H]2CCOC2)c1 ZINC000070488240 190902659 /nfs/dbraw/zinc/90/26/59/190902659.db2.gz WWSFJBNIWPOSDR-JTQLQIEISA-N 1 0 301.184 1.849 10 0 DDAERO C[N@@H+]1CC[C@@](O)(Cc2ccc(I)cc2)C1 ZINC000083850311 192387073 /nfs/dbraw/zinc/38/70/73/192387073.db2.gz YJTLJDUKNBGHSV-GFCCVEGCSA-N 1 0 317.170 1.900 10 0 DDAERO CC[NH2+][C@H](C[S@](=O)CCOC)c1ccc(OC)cc1OC ZINC000084036414 192396770 /nfs/dbraw/zinc/39/67/70/192396770.db2.gz FQJCFABMIODDRZ-SZNDQCEHSA-N 1 0 315.435 1.750 10 0 DDAERO [NH3+]C[C@@H]1c2c(cc(Cl)cc2Cl)CN1CCOCCO ZINC000071684396 191008561 /nfs/dbraw/zinc/00/85/61/191008561.db2.gz FEVBZYGHSYNKGM-GFCCVEGCSA-N 1 0 305.205 1.818 10 0 DDAERO CC[C@@H]1CN(CCOc2cccc(OC)c2)CC[N@@H+]1C[C@@H](C)O ZINC000152604394 186089095 /nfs/dbraw/zinc/08/90/95/186089095.db2.gz ADGYSWAECNYSHT-HZPDHXFCSA-N 1 0 322.449 1.851 10 0 DDAERO CCC[C@@H](C(=O)NCc1cn(C)nc1C(F)(F)F)[NH+](C)C ZINC000164174206 186151353 /nfs/dbraw/zinc/15/13/53/186151353.db2.gz XODIIKNJESVNBI-JTQLQIEISA-N 1 0 306.332 1.785 10 0 DDAERO O=C(Nc1ccc(-n2cccn2)nc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171889638 198001784 /nfs/dbraw/zinc/00/17/84/198001784.db2.gz PQUYNKNQSZLNSH-AWEZNQCLSA-N 1 0 312.377 1.579 10 0 DDAERO CCc1nc(CCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cs1 ZINC000171906669 198006152 /nfs/dbraw/zinc/00/61/52/198006152.db2.gz CTWBFDAAXHSZSZ-ZDUSSCGKSA-N 1 0 308.451 1.738 10 0 DDAERO COc1ccc(CCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000171907077 198006333 /nfs/dbraw/zinc/00/63/33/198006333.db2.gz NWRBYYVBHLHALG-CQSZACIVSA-N 1 0 321.396 1.866 10 0 DDAERO C[C@@H]1CCC[C@H](NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)[C@@H]1C ZINC000061954753 352896144 /nfs/dbraw/zinc/89/61/44/352896144.db2.gz MMUJIIFSVJYPPP-FPCVCCKLSA-N 1 0 311.470 1.957 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2cccc(Cl)c2)C[C@H]1C ZINC000174295747 198316423 /nfs/dbraw/zinc/31/64/23/198316423.db2.gz CVMUZLMMXCCUFS-CHWSQXEVSA-N 1 0 310.825 1.796 10 0 DDAERO C[C@@H](O)CN1CCN(C(=O)c2cc3c(s2)CCC3)C[C@@H]1C ZINC000174319971 198319358 /nfs/dbraw/zinc/31/93/58/198319358.db2.gz ZZIAPZJKXWEEKX-NWDGAFQWSA-N 1 0 308.447 1.764 10 0 DDAERO CC[C@@H]1CN(C(=O)c2ccc(Cl)nc2)CC[N@@H+]1C[C@@H](C)O ZINC000174639762 198363612 /nfs/dbraw/zinc/36/36/12/198363612.db2.gz LUKRGBSJDPIPFN-DGCLKSJQSA-N 1 0 311.813 1.652 10 0 DDAERO COCCCOc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000176205916 198558326 /nfs/dbraw/zinc/55/83/26/198558326.db2.gz UYJLPBXJYANJBZ-HNNXBMFYSA-N 1 0 306.406 1.878 10 0 DDAERO C[NH+](C)CCOC(=O)[C@](O)(c1ccccc1)c1cccnc1 ZINC000003617213 181041308 /nfs/dbraw/zinc/04/13/08/181041308.db2.gz HBKPXSHWKOETHP-KRWDZBQOSA-N 1 0 300.358 1.422 10 0 DDAERO CC(C)C(=O)N[C@H]1CCCN(C(=O)[C@H]2CC23CC[NH2+]CC3)C1 ZINC000236803709 202017212 /nfs/dbraw/zinc/01/72/12/202017212.db2.gz RREYGCBCJGPUBB-UONOGXRCSA-N 1 0 307.438 1.139 10 0 DDAERO O=C(C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)NC1CCOCC1 ZINC000249532856 354377010 /nfs/dbraw/zinc/37/70/10/354377010.db2.gz BLSDEAUROSAEAY-ZFWWWQNUSA-N 1 0 324.446 1.051 10 0 DDAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@@H]2CCCOC2)CC(=O)N1C ZINC000328656028 354560238 /nfs/dbraw/zinc/56/02/38/354560238.db2.gz YZUCWFCEUZNPHG-XJKCOSOUSA-N 1 0 306.410 1.077 10 0 DDAERO COc1c(C)cc(Cl)cc1S(=O)(=O)NCC[NH+](C)C ZINC000074935716 191391568 /nfs/dbraw/zinc/39/15/68/191391568.db2.gz HIKDRWOWUPTIBB-UHFFFAOYSA-N 1 0 306.815 1.497 10 0 DDAERO CCC[C@H](COC)NS(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000079769156 191970347 /nfs/dbraw/zinc/97/03/47/191970347.db2.gz WRXAGYWGUUWZFG-DGCLKSJQSA-N 1 0 300.424 1.800 10 0 DDAERO C[C@H]1CCCN(S(=O)(=O)Nc2ccc(CC(N)=[NH2+])cc2)C1 ZINC000079783067 191972668 /nfs/dbraw/zinc/97/26/68/191972668.db2.gz QVQBOCJAYXWYKQ-NSHDSACASA-N 1 0 310.423 1.554 10 0 DDAERO NS(=O)(=O)[C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)[NH2+]C1 ZINC000080105976 192002272 /nfs/dbraw/zinc/00/22/72/192002272.db2.gz QQUJPBOMLGBRDY-MNOVXSKESA-N 1 0 308.325 1.787 10 0 DDAERO COCC[NH2+]C[C@@H]1CCCN(S(=O)(=O)CC(C)(C)C)C1 ZINC000080194028 192011216 /nfs/dbraw/zinc/01/12/16/192011216.db2.gz LXQZWBZHLUZCRA-ZDUSSCGKSA-N 1 0 306.472 1.310 10 0 DDAERO C[C@@H](O)[C@@H]([NH3+])CNc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000080740940 192187220 /nfs/dbraw/zinc/18/72/20/192187220.db2.gz RSHVQGREFHUTTO-XCBNKYQSSA-N 1 0 312.313 1.100 10 0 DDAERO C[C@@H]1CCC[C@]([NH3+])(C(=O)Nc2ccc(S(C)(=O)=O)nc2)C1 ZINC000080913599 192201857 /nfs/dbraw/zinc/20/18/57/192201857.db2.gz QGYWXERYTBYVIJ-QMTHXVAHSA-N 1 0 311.407 1.331 10 0 DDAERO CC[C@@](C)(C[NH2+]C)CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000081541289 192285920 /nfs/dbraw/zinc/28/59/20/192285920.db2.gz BXVVRYOOPQLLEW-LBPRGKRZSA-N 1 0 305.348 1.748 10 0 DDAERO FC(F)(F)c1nnc2n1CCN(CCCC[NH2+]C1CC1)C2 ZINC000081542701 192287046 /nfs/dbraw/zinc/28/70/46/192287046.db2.gz BDLDYKXPHPBIBS-UHFFFAOYSA-N 1 0 303.332 1.645 10 0 DDAERO C[NH+](C)C[C@H](O)Cc1ccc(I)cc1 ZINC000085794650 192530208 /nfs/dbraw/zinc/53/02/08/192530208.db2.gz CROGRRGFPPVNJT-LLVKDONJSA-N 1 0 305.159 1.756 10 0 DDAERO CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000236984957 202108218 /nfs/dbraw/zinc/10/82/18/202108218.db2.gz VKFUNJBRLVXZHQ-MAZHCROVSA-N 1 0 317.433 1.685 10 0 DDAERO CCC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)C)cc1OCC ZINC000237009362 202120246 /nfs/dbraw/zinc/12/02/46/202120246.db2.gz WJRSLMXRLVSRND-GFCCVEGCSA-N 1 0 307.394 1.853 10 0 DDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1n[nH]c(-c2ccccc2OC)n1 ZINC000237024552 202126889 /nfs/dbraw/zinc/12/68/89/202126889.db2.gz HOKPITWBNUPGMW-BXKDBHETSA-N 1 0 303.366 1.792 10 0 DDAERO CNC(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2S(C)(=O)=O)cc1 ZINC000086670798 192587531 /nfs/dbraw/zinc/58/75/31/192587531.db2.gz DGQRVRCLHVVUCV-KBPBESRZSA-N 1 0 310.419 1.102 10 0 DDAERO [NH3+]C[C@@H](SC[C@H](O)CO)c1ccccc1Br ZINC000086659344 192588206 /nfs/dbraw/zinc/58/82/06/192588206.db2.gz VBZDMGNNWKBQSX-LDYMZIIASA-N 1 0 306.225 1.535 10 0 DDAERO CN(Cc1ccccc1)C(=O)NCCC(=O)NC[C@H]([NH3+])C1CC1 ZINC000237127845 202160046 /nfs/dbraw/zinc/16/00/46/202160046.db2.gz XIHSVJVPAIBPDY-HNNXBMFYSA-N 1 0 318.421 1.072 10 0 DDAERO CCS(=O)(=O)CCCOc1ccc(C(N)=[NH2+])cc1Cl ZINC000086975271 192604019 /nfs/dbraw/zinc/60/40/19/192604019.db2.gz WKDXKNHTZCUJEP-UHFFFAOYSA-N 1 0 304.799 1.828 10 0 DDAERO Cc1c(F)cc(CO)cc1S(=O)(=O)N(C)CCC[NH+](C)C ZINC000088901159 192648568 /nfs/dbraw/zinc/64/85/68/192648568.db2.gz HDZLFOIIACVVRS-UHFFFAOYSA-N 1 0 318.414 1.199 10 0 DDAERO Cc1nn(CC[NH2+]C2CC2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000088905294 192652052 /nfs/dbraw/zinc/65/20/52/192652052.db2.gz JQPVYKLRDXSIPE-UHFFFAOYSA-N 1 0 312.439 1.036 10 0 DDAERO CCC[NH2+]Cc1sccc1S(=O)(=O)N1CCSCC1 ZINC000088931504 192662061 /nfs/dbraw/zinc/66/20/61/192662061.db2.gz AVHLOOUBVMXTHH-UHFFFAOYSA-N 1 0 320.505 1.985 10 0 DDAERO CCC[NH2+]CCCn1cc(S(=O)(=O)N(C)CC(C)C)cn1 ZINC000088947959 192664862 /nfs/dbraw/zinc/66/48/62/192664862.db2.gz GMOPHSFXNBRZDY-UHFFFAOYSA-N 1 0 316.471 1.549 10 0 DDAERO C[C@@H](C1CC1)N(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]C1CC1 ZINC000088962891 192671159 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ZINC000195257122 201367854 /nfs/dbraw/zinc/36/78/54/201367854.db2.gz WRSCMWIWQHERFX-UONOGXRCSA-N 1 0 324.494 1.682 10 0 DDAERO CCCCOC[C@H](O)C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000195202967 201357917 /nfs/dbraw/zinc/35/79/17/201357917.db2.gz CPVCWRJYOXOWTD-QGZVFWFLSA-N 1 0 307.438 1.377 10 0 DDAERO C[C@@H](NC(=O)[C@](C)([NH3+])c1ccccc1)C(=O)N1CCCCC1 ZINC000195524314 201398642 /nfs/dbraw/zinc/39/86/42/201398642.db2.gz LOBGGQJTPLBBGC-CXAGYDPISA-N 1 0 303.406 1.378 10 0 DDAERO C[C@H](OC[C@H]1CCCO1)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000195702617 201420515 /nfs/dbraw/zinc/42/05/15/201420515.db2.gz RXICYAPHCFIBAF-UAGQMJEPSA-N 1 0 320.433 1.990 10 0 DDAERO COC(=O)c1ccc(NC(=O)C[C@@H]2CSCC[NH2+]2)c(C)c1 ZINC000091135266 193000741 /nfs/dbraw/zinc/00/07/41/193000741.db2.gz CIGMLDSDZSHVSA-GFCCVEGCSA-N 1 0 308.403 1.815 10 0 DDAERO COC(=O)c1ccc(F)cc1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000091135315 193001585 /nfs/dbraw/zinc/00/15/85/193001585.db2.gz HKLXSRSUFKWBEU-JTQLQIEISA-N 1 0 312.366 1.646 10 0 DDAERO CCCc1c(C[NH2+]C2CC2)cnn1[C@@]1(C)CCS(=O)(=O)C1 ZINC000091337259 193043949 /nfs/dbraw/zinc/04/39/49/193043949.db2.gz IWASYAXEECFBAS-HNNXBMFYSA-N 1 0 311.451 1.621 10 0 DDAERO Cc1nc(NC(=O)[C@@]2([NH3+])CCOC2)ccc1Br ZINC000091507134 193067015 /nfs/dbraw/zinc/06/70/15/193067015.db2.gz SELCQGYAXGKCKN-LLVKDONJSA-N 1 0 300.156 1.209 10 0 DDAERO CCc1nn(CC)c(C[C@](C)(O)CC[NH3+])c1Br ZINC000091467757 193059987 /nfs/dbraw/zinc/05/99/87/193059987.db2.gz QOHSXKHPICQCGC-GFCCVEGCSA-N 1 0 304.232 1.870 10 0 DDAERO COCC[NH2+]C[C@H](O)Cc1ccc(OC)c(Br)c1 ZINC000091467031 193060639 /nfs/dbraw/zinc/06/06/39/193060639.db2.gz OALITNAOPHOMMV-LLVKDONJSA-N 1 0 318.211 1.597 10 0 DDAERO Cc1cc(CN2CC[NH2+]C[C@@H]2C(N)=O)ccc1Br ZINC000091472177 193060948 /nfs/dbraw/zinc/06/09/48/193060948.db2.gz FWYDXOAOGOOCHJ-GFCCVEGCSA-N 1 0 312.211 1.017 10 0 DDAERO CCCCNC(=O)[C@@H](C)[NH+]1CCC(SC)(C(N)=S)CC1 ZINC000091488572 193062801 /nfs/dbraw/zinc/06/28/01/193062801.db2.gz MLZZKYPBAANQJW-LLVKDONJSA-N 1 0 317.524 1.775 10 0 DDAERO CCS(=O)(=O)CCC[NH+]1CCC(SC)(C(N)=S)CC1 ZINC000091487387 193063249 /nfs/dbraw/zinc/06/32/49/193063249.db2.gz KMJXLISUYARVGG-UHFFFAOYSA-N 1 0 324.537 1.295 10 0 DDAERO COc1c(C[NH+]2CCC(Cn3ccnn3)CC2)c(C)nn1C ZINC000092098544 193157488 /nfs/dbraw/zinc/15/74/88/193157488.db2.gz MQCUTBPSMDOFLP-UHFFFAOYSA-N 1 0 304.398 1.241 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCSCC2)c(F)c1 ZINC000092115564 193163217 /nfs/dbraw/zinc/16/32/17/193163217.db2.gz IESLRDYNHHBQHN-UHFFFAOYSA-N 1 0 304.412 1.283 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(C)CCCOC)c(F)c1 ZINC000092116137 193164672 /nfs/dbraw/zinc/16/46/72/193164672.db2.gz SBWQJRRBEGHPBJ-UHFFFAOYSA-N 1 0 318.414 1.592 10 0 DDAERO C[NH2+]C[C@@H](C)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000092133128 193166791 /nfs/dbraw/zinc/16/67/91/193166791.db2.gz PPDPAQSTTDFASI-MRVPVSSYSA-N 1 0 304.799 1.538 10 0 DDAERO CCN(CC(C)(C)O)S(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000092984455 193191345 /nfs/dbraw/zinc/19/13/45/193191345.db2.gz GXBMJLVMDDQXGR-NSHDSACASA-N 1 0 300.424 1.488 10 0 DDAERO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)O1 ZINC000261776362 203114958 /nfs/dbraw/zinc/11/49/58/203114958.db2.gz MSTGUIBCOKIYHE-ILXRZTDVSA-N 1 0 308.353 1.232 10 0 DDAERO CCN(Cc1cccs1)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261891625 203145732 /nfs/dbraw/zinc/14/57/32/203145732.db2.gz GNDPWDZIEQXFRR-CABCVRRESA-N 1 0 318.446 1.833 10 0 DDAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000262102529 203200037 /nfs/dbraw/zinc/20/00/37/203200037.db2.gz DLWSJLADXXNGAK-GHJWDPDVSA-N 1 0 303.406 1.561 10 0 DDAERO O=C(C[C@@H]1COCC[NH2+]1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000262245724 203239933 /nfs/dbraw/zinc/23/99/33/203239933.db2.gz SAZSCLFWRMWUMI-SJLPKXTDSA-N 1 0 318.417 1.337 10 0 DDAERO COCC[NH2+]C[C@@H](c1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000093165169 193210015 /nfs/dbraw/zinc/21/00/15/193210015.db2.gz GSNRMNIROGXEKF-HIFRSBDPSA-N 1 0 315.410 1.580 10 0 DDAERO Cc1ccsc1C(=O)Nc1nc(C2CC[NH2+]CC2)nn1C ZINC000262484360 203307036 /nfs/dbraw/zinc/30/70/36/203307036.db2.gz YLLLITMDAPPVSZ-UHFFFAOYSA-N 1 0 305.407 1.904 10 0 DDAERO CC(C)C1CCC([NH+]2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)CC1 ZINC000175505007 306686533 /nfs/dbraw/zinc/68/65/33/306686533.db2.gz ZPXABZDZQPYCHL-PCKAHOCUSA-N 1 0 321.465 1.482 10 0 DDAERO O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000262517871 203316351 /nfs/dbraw/zinc/31/63/51/203316351.db2.gz KKQXFMZFGJIZER-MCIONIFRSA-N 1 0 324.446 1.541 10 0 DDAERO O=C(C[C@@H]1COCC[NH2+]1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000262557104 203328658 /nfs/dbraw/zinc/32/86/58/203328658.db2.gz PSUBKCRZHWDSQQ-OLZOCXBDSA-N 1 0 316.323 1.655 10 0 DDAERO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000262561317 203330534 /nfs/dbraw/zinc/33/05/34/203330534.db2.gz WKKBCDCAKIMXSJ-CVEARBPZSA-N 1 0 322.836 1.844 10 0 DDAERO [NH3+]CCOCC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000093231956 193220285 /nfs/dbraw/zinc/22/02/85/193220285.db2.gz HDCIADUYVWKMLJ-UHFFFAOYSA-N 1 0 311.769 1.381 10 0 DDAERO CCn1nc(C)c(Br)c1C[C@@H]([NH3+])C(OC)OC ZINC000093304756 193227461 /nfs/dbraw/zinc/22/74/61/193227461.db2.gz YQVOCDFVXOYOHT-MRVPVSSYSA-N 1 0 306.204 1.463 10 0 DDAERO COc1cc(Br)c([C@H]2CNC(=[NH2+])N2C)cc1OC ZINC000093357694 193236963 /nfs/dbraw/zinc/23/69/63/193236963.db2.gz UQBXZOFYWKLGKF-SECBINFHSA-N 1 0 314.183 1.768 10 0 DDAERO NS(=O)(=O)c1cccc(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093450927 193254345 /nfs/dbraw/zinc/25/43/45/193254345.db2.gz CKDKZBBCMHYMGU-QLFBSQMISA-N 1 0 309.435 1.667 10 0 DDAERO C[C@H](C[C@@H]1CCC[NH2+]1)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000093463416 193255594 /nfs/dbraw/zinc/25/55/94/193255594.db2.gz XYTXGQWPNHJWCX-OCCSQVGLSA-N 1 0 311.451 1.879 10 0 DDAERO CCCN1CCC[C@@H]([C@@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)C1 ZINC000093523435 193264148 /nfs/dbraw/zinc/26/41/48/193264148.db2.gz IUJYTKCEJGSGFG-ZIAGYGMSSA-N 1 0 304.500 1.910 10 0 DDAERO CN(C)c1nnc(SCC[C@@H]2CCC[C@]2([NH3+])C(N)=O)s1 ZINC000093631052 193277463 /nfs/dbraw/zinc/27/74/63/193277463.db2.gz AKPQUMFTTZDMOG-QPUJVOFHSA-N 1 0 315.468 1.069 10 0 DDAERO C[C@@H]1CCC[C@](C[NH3+])(OC[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000093695771 193291170 /nfs/dbraw/zinc/29/11/70/193291170.db2.gz ZPZPZWGSBAXXIV-KFWWJZLASA-N 1 0 318.483 1.582 10 0 DDAERO CS(=O)(=O)N1CCC[C@@H](C[NH2+]CC2(O)CCCCCC2)C1 ZINC000093697100 193292852 /nfs/dbraw/zinc/29/28/52/193292852.db2.gz WOKOBDXKFOIDQQ-AWEZNQCLSA-N 1 0 318.483 1.333 10 0 DDAERO CC(C)(C)SC[C@H]([NH3+])C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700467 193293934 /nfs/dbraw/zinc/29/39/34/193293934.db2.gz GHEVWWHFWOBIGI-VXGBXAGGSA-N 1 0 308.513 1.907 10 0 DDAERO CCCSC[C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)[NH2+]C ZINC000093700438 193294191 /nfs/dbraw/zinc/29/41/91/193294191.db2.gz JABFALBYROPOTB-STQMWFEESA-N 1 0 308.513 1.779 10 0 DDAERO CCC[NH2+]CC[C@](C)(O)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702853 193295691 /nfs/dbraw/zinc/29/56/91/193295691.db2.gz ODOQKHAYQVEYGT-KBPBESRZSA-N 1 0 306.472 1.189 10 0 DDAERO Cc1cc(S[C@@H]2CCC[C@]([NH2+]C3CC3)(C(N)=O)C2)n(C)n1 ZINC000093779188 193305551 /nfs/dbraw/zinc/30/55/51/193305551.db2.gz IQADUYOPKCHAAM-IUODEOHRSA-N 1 0 308.451 1.739 10 0 DDAERO C[NH2+][C@@H]1CCN(S(=O)(=O)CCOC(C)C)c2ccccc21 ZINC000093664647 193286620 /nfs/dbraw/zinc/28/66/20/193286620.db2.gz AAKKTSSWTCHNGD-CQSZACIVSA-N 1 0 312.435 1.912 10 0 DDAERO CC[NH2+][C@H](C)[C@@H]1CCCCN1S(=O)(=O)CCOC(C)C ZINC000093664627 193286893 /nfs/dbraw/zinc/28/68/93/193286893.db2.gz IAGBHSUHAAENDY-KGLIPLIRSA-N 1 0 306.472 1.594 10 0 DDAERO CC(C)[NH2+]CC1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000093667773 193287362 /nfs/dbraw/zinc/28/73/62/193287362.db2.gz OUTIZBFVHYVDQJ-UHFFFAOYSA-N 1 0 306.472 1.451 10 0 DDAERO CCOC(=O)[C@]1(NC(C)C)CC[C@H]([N@H+](C)[C@@H](C)COC)C1 ZINC000093826628 193314069 /nfs/dbraw/zinc/31/40/69/193314069.db2.gz HVPZWIVBCBOUSO-DZKIICNBSA-N 1 0 300.443 1.806 10 0 DDAERO CC(C)NS(=O)(=O)c1ccc(N(C)CC(C)(C)C[NH3+])cc1 ZINC000093874687 193322436 /nfs/dbraw/zinc/32/24/36/193322436.db2.gz AQSDMOVIUUOFPV-UHFFFAOYSA-N 1 0 313.467 1.794 10 0 DDAERO CCn1nc(C)c(Cl)c1C[C@H]([NH2+]C)[C@H]1CN(C)CCN1C ZINC000093894753 193324876 /nfs/dbraw/zinc/32/48/76/193324876.db2.gz WDJWBTVTSRNJKZ-GXTWGEPZSA-N 1 0 313.877 1.241 10 0 DDAERO CCC([NH3+])(CC)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000094243917 193354835 /nfs/dbraw/zinc/35/48/35/193354835.db2.gz JRXOWXYOCRPFNH-UHFFFAOYSA-N 1 0 313.423 1.407 10 0 DDAERO CCOc1ccc([C@H](CN(C)CCS(C)(=O)=O)[NH2+]C)cc1 ZINC000094298498 193358001 /nfs/dbraw/zinc/35/80/01/193358001.db2.gz HCLWLFBQXAOFDB-HNNXBMFYSA-N 1 0 314.451 1.322 10 0 DDAERO CCCNC(=O)CN(C)c1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334189 193360348 /nfs/dbraw/zinc/36/03/48/193360348.db2.gz KGVLHERMHXFLJA-UHFFFAOYSA-N 1 0 304.316 1.522 10 0 DDAERO CCNS(=O)(=O)c1ccc(NC(=O)C([NH3+])(CC)CC)cc1 ZINC000094244182 193354574 /nfs/dbraw/zinc/35/45/74/193354574.db2.gz DCGOLFDYTKLZQD-UHFFFAOYSA-N 1 0 313.423 1.441 10 0 DDAERO CC(C)[NH+]1CCC(O)([C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094639145 193387766 /nfs/dbraw/zinc/38/77/66/193387766.db2.gz PPOMHQUPDDHNEG-KBPBESRZSA-N 1 0 303.468 1.825 10 0 DDAERO CC(C)(C)[NH2+]Cc1cn([C@H]2CCC[C@H](S(C)(=O)=O)C2)nn1 ZINC000094645176 193390107 /nfs/dbraw/zinc/39/01/07/193390107.db2.gz WIUIUHPNSZQJCN-STQMWFEESA-N 1 0 314.455 1.695 10 0 DDAERO CCCCN(C(=O)[C@@H](C[NH3+])CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000094698427 193391660 /nfs/dbraw/zinc/39/16/60/193391660.db2.gz KBWORAGSIYVMFG-ZIAGYGMSSA-N 1 0 318.483 1.423 10 0 DDAERO CC[NH+](CC)CCN[C@@]1(C(=O)OC)CSCCC1(C)C ZINC000094484675 193372852 /nfs/dbraw/zinc/37/28/52/193372852.db2.gz BDSKXRGZVJLNFV-OAHLLOKOSA-N 1 0 302.484 1.993 10 0 DDAERO CCc1nn(C)c(C[C@H]([NH2+]C)[C@@H]2CSCCO2)c1Cl ZINC000094503002 193374803 /nfs/dbraw/zinc/37/48/03/193374803.db2.gz FXMLMAYLEYRZGW-JQWIXIFHSA-N 1 0 303.859 1.898 10 0 DDAERO C[NH2+][C@@H]([C@@H]1CSCCO1)[C@H]1CCOC2(CCOCC2)C1 ZINC000094503268 193374904 /nfs/dbraw/zinc/37/49/04/193374904.db2.gz ZUZLBQUFJJIPML-MELADBBJSA-N 1 0 301.452 1.682 10 0 DDAERO CN(CCOc1ccc(Cl)cc1)C(=O)[C@H]1CC[C@@H](C[NH3+])O1 ZINC000094567699 193380515 /nfs/dbraw/zinc/38/05/15/193380515.db2.gz AOGBIUQIHKOGJK-UONOGXRCSA-N 1 0 312.797 1.684 10 0 DDAERO C[N@@H+]1CC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2N)C1 ZINC000094598638 193383210 /nfs/dbraw/zinc/38/32/10/193383210.db2.gz WJWYDPPGUUKCBV-SECBINFHSA-N 1 0 301.312 1.969 10 0 DDAERO COc1ccc(C[NH3+])cc1O[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094634421 193385151 /nfs/dbraw/zinc/38/51/51/193385151.db2.gz IXCVMOLNQFHJRQ-QWHCGFSZSA-N 1 0 313.419 1.889 10 0 DDAERO CC[NH2+][C@@H](Cc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000095067248 193415479 /nfs/dbraw/zinc/41/54/79/193415479.db2.gz ZASCFTKATHKAKT-RISCZKNCSA-N 1 0 303.374 1.920 10 0 DDAERO C[C@@H](O)[C@H]([NH3+])CNC(=O)c1c(F)cc(Br)cc1F ZINC000094717056 193393612 /nfs/dbraw/zinc/39/36/12/193393612.db2.gz KXLYLYBBZGTYNQ-MLUIRONXSA-N 1 0 323.137 1.165 10 0 DDAERO [NH3+][C@@H]1CCCCC[C@H]1C(=O)N1CCN(c2nccs2)CC1 ZINC000094749138 193395710 /nfs/dbraw/zinc/39/57/10/193395710.db2.gz JZBQUOSQVJBZMY-CHWSQXEVSA-N 1 0 308.451 1.699 10 0 DDAERO CC[NH2+][C@@H](Cc1ncnn1C)c1cncc(Br)c1 ZINC000094824776 193401400 /nfs/dbraw/zinc/40/14/00/193401400.db2.gz KDJJJOMDMUJDAW-NSHDSACASA-N 1 0 310.199 1.866 10 0 DDAERO CC[NH2+]Cc1c(Cl)cccc1N1CC(=O)NC(=O)C1(C)C ZINC000097316087 193707493 /nfs/dbraw/zinc/70/74/93/193707493.db2.gz ARNMAORRXNNZHT-UHFFFAOYSA-N 1 0 309.797 1.691 10 0 DDAERO CC1CCN(C[C@@H]([NH3+])c2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000019821577 182154184 /nfs/dbraw/zinc/15/41/84/182154184.db2.gz DZBUSEDTEQCAAT-CQSZACIVSA-N 1 0 302.422 1.609 10 0 DDAERO [NH3+]Cc1cccc(CN2C(=O)c3ccccc3S2(=O)=O)c1 ZINC000021787886 182288864 /nfs/dbraw/zinc/28/88/64/182288864.db2.gz JSJHDHDLJVYRDQ-UHFFFAOYSA-N 1 0 302.355 1.490 10 0 DDAERO O=C1C[C@@H]2C[S@](=O)CCN2c2c(c[nH+]c3ccccc32)N1 ZINC000097829069 193762345 /nfs/dbraw/zinc/76/23/45/193762345.db2.gz DVKPWDOZTKQXDZ-UZJPJQLHSA-N 1 0 301.371 1.514 10 0 DDAERO Cc1cnc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)c(Br)c1 ZINC000097845663 193763817 /nfs/dbraw/zinc/76/38/17/193763817.db2.gz QDLWFHNWQPJPCY-MWLCHTKSSA-N 1 0 300.200 1.705 10 0 DDAERO CC(C)c1ccccc1N1C(=O)C[C@@H](N2CC[NH2+]CC2)C1=O ZINC000100890727 193805432 /nfs/dbraw/zinc/80/54/32/193805432.db2.gz GFRXKGIWIBWJRU-OAHLLOKOSA-N 1 0 301.390 1.347 10 0 DDAERO O=S(=O)(NCCC[NH2+]C1CC1)c1ccc(F)c(F)c1F ZINC000036267467 248183064 /nfs/dbraw/zinc/18/30/64/248183064.db2.gz GYTYKBXCICRJGR-UHFFFAOYSA-N 1 0 308.325 1.524 10 0 DDAERO CN1C(=O)Cc2cc(NC(=O)N[C@@H]3CC[C@H]([NH+](C)C)C3)ccc21 ZINC000333374480 248974197 /nfs/dbraw/zinc/97/41/97/248974197.db2.gz ZQPAVMYKGDSBCY-KGLIPLIRSA-N 1 0 316.405 1.810 10 0 DDAERO Cc1n[nH]cc1S(=O)(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040670921 183115365 /nfs/dbraw/zinc/11/53/65/183115365.db2.gz ZKWKPFRVNAVEAX-FZMZJTMJSA-N 1 0 314.455 1.507 10 0 DDAERO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(Br)cn2C)C1 ZINC000040595963 183106653 /nfs/dbraw/zinc/10/66/53/183106653.db2.gz GJGICMHBYGJNRW-SNVBAGLBSA-N 1 0 314.227 1.859 10 0 DDAERO COc1cc(F)c(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc1OC ZINC000333896981 249142432 /nfs/dbraw/zinc/14/24/32/249142432.db2.gz ZEFOOIKDDKMFSO-INIZCTEOSA-N 1 0 308.353 1.811 10 0 DDAERO NS(=O)(=O)c1ccc(Cn2ccc3c2CCC[C@@H]3[NH3+])cc1 ZINC000041728166 183218681 /nfs/dbraw/zinc/21/86/81/183218681.db2.gz DYOSHCVKVAHMQT-AWEZNQCLSA-N 1 0 305.403 1.520 10 0 DDAERO COCCNC(=O)C[NH2+]Cc1ccc(Br)cc1 ZINC000042223997 183243468 /nfs/dbraw/zinc/24/34/68/183243468.db2.gz MTQLIFJPHYOYGX-UHFFFAOYSA-N 1 0 301.184 1.301 10 0 DDAERO [NH3+]C[C@@H](c1ccc(Br)s1)N1CCS(=O)CC1 ZINC000042325958 183254166 /nfs/dbraw/zinc/25/41/66/183254166.db2.gz MFPGEAFQLYVVIZ-QMMMGPOBSA-N 1 0 323.281 1.575 10 0 DDAERO CCO[C@H]1CCCN(S(=O)(=O)c2ccc(C[NH3+])s2)C1 ZINC000042425733 183268337 /nfs/dbraw/zinc/26/83/37/183268337.db2.gz SSIREZFOZVYDHM-JTQLQIEISA-N 1 0 304.437 1.396 10 0 DDAERO CC(C)[N@H+](CCO)[C@@H](C)C(=O)Nc1ccccc1C(N)=S ZINC000042479360 183275718 /nfs/dbraw/zinc/27/57/18/183275718.db2.gz VFUCORUCXAJVRQ-NSHDSACASA-N 1 0 309.435 1.351 10 0 DDAERO COC[C@H](O)C[N@H+](C)CCCOc1ccc(C(N)=S)cc1 ZINC000042506109 183277731 /nfs/dbraw/zinc/27/77/31/183277731.db2.gz PIIUZEAPGBOLAA-CYBMUJFWSA-N 1 0 312.435 1.029 10 0 DDAERO CC(C)N(CCCO)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000042514261 183278370 /nfs/dbraw/zinc/27/83/70/183278370.db2.gz HHVSAYMUEIUPTH-UHFFFAOYSA-N 1 0 300.424 1.068 10 0 DDAERO C[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000042945498 183320140 /nfs/dbraw/zinc/32/01/40/183320140.db2.gz GGQGFTTZLDIRHB-LERXQTSPSA-N 1 0 316.854 1.847 10 0 DDAERO CC[C@H]([NH3+])[C@H](c1cccc(OC)c1)N1CCS(=O)(=O)CC1 ZINC000043026957 183331318 /nfs/dbraw/zinc/33/13/18/183331318.db2.gz HWKQUZUDRQVLCH-GJZGRUSLSA-N 1 0 312.435 1.204 10 0 DDAERO CCN([C@@H](C)COC)S(=O)(=O)c1cccc2c1CC[NH2+]C2 ZINC000042781294 183308513 /nfs/dbraw/zinc/30/85/13/183308513.db2.gz BMXGFIAGYBGGQF-LBPRGKRZSA-N 1 0 312.435 1.378 10 0 DDAERO C[C@@H]1c2ccsc2CCN1S(=O)(=O)C1CC[NH2+]CC1 ZINC000042782427 183309143 /nfs/dbraw/zinc/30/91/43/183309143.db2.gz MGLCSFWYVLIQGO-SNVBAGLBSA-N 1 0 300.449 1.749 10 0 DDAERO [NH3+]C[C@H](c1ccc(Br)s1)N(CCO)C1CC1 ZINC000043262737 183349215 /nfs/dbraw/zinc/34/92/15/183349215.db2.gz ZHNCQZLGSKVJID-SECBINFHSA-N 1 0 305.241 1.967 10 0 DDAERO CC(C)N(CC(N)=O)[C@H](C[NH3+])c1cc(Br)cs1 ZINC000043287302 183350763 /nfs/dbraw/zinc/35/07/63/183350763.db2.gz IRWPZMALZCMLEX-SECBINFHSA-N 1 0 320.256 1.706 10 0 DDAERO C[C@H]([NH3+])[C@H](Oc1ccc(S(C)(=O)=O)cc1)c1ccccn1 ZINC000043343862 183355988 /nfs/dbraw/zinc/35/59/88/183355988.db2.gz MFJLVNXIBJNGJR-NHYWBVRUSA-N 1 0 306.387 1.952 10 0 DDAERO C[C@@H]([NH3+])Cc1ccc(O[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 ZINC000043491530 183366825 /nfs/dbraw/zinc/36/68/25/183366825.db2.gz SQNHZMQNUKDOSR-MWLCHTKSSA-N 1 0 303.811 1.796 10 0 DDAERO CCNS(=O)(=O)c1ccc(N(CCC[NH3+])CC(C)C)cc1 ZINC000043417246 183360879 /nfs/dbraw/zinc/36/08/79/183360879.db2.gz RVTVSDDWCKOORD-UHFFFAOYSA-N 1 0 313.467 1.796 10 0 DDAERO Cc1csc(CNS(=O)(=O)c2ccc(CC[NH3+])cc2)n1 ZINC000044594597 183426084 /nfs/dbraw/zinc/42/60/84/183426084.db2.gz OGHOFZGOZHQZOZ-UHFFFAOYSA-N 1 0 311.432 1.431 10 0 DDAERO CCOc1cccc([C@@H](C)NC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000104792982 194039808 /nfs/dbraw/zinc/03/98/08/194039808.db2.gz FNSLGMULADZPOZ-CJNGLKHVSA-N 1 0 321.421 1.776 10 0 DDAERO Cc1cccc(C(C)(C)CNC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000104793009 194040458 /nfs/dbraw/zinc/04/04/58/194040458.db2.gz VUXMQJIHGRWFTK-MRXNPFEDSA-N 1 0 319.449 1.902 10 0 DDAERO COc1cc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)ccc1O ZINC000105107997 194074403 /nfs/dbraw/zinc/07/44/03/194074403.db2.gz SUMQWNHODVOSMK-AWEZNQCLSA-N 1 0 319.405 1.781 10 0 DDAERO CCOC(=O)CCC[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105804208 194131986 /nfs/dbraw/zinc/13/19/86/194131986.db2.gz AMLTVUJQEBIFER-CQSZACIVSA-N 1 0 306.410 1.721 10 0 DDAERO CCOCCN1CC[N@H+](CCCOCC(F)(F)F)C[C@@H]1C ZINC000105835552 194143438 /nfs/dbraw/zinc/14/34/38/194143438.db2.gz BNWQLENVXBICTQ-ZDUSSCGKSA-N 1 0 312.376 1.998 10 0 DDAERO Cc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105882977 194155664 /nfs/dbraw/zinc/15/56/64/194155664.db2.gz PXAJZASCARWWAZ-HNNXBMFYSA-N 1 0 313.405 1.937 10 0 DDAERO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105883941 194156972 /nfs/dbraw/zinc/15/69/72/194156972.db2.gz RZRSHJWQLWLTDJ-KKUMJFAQSA-N 1 0 307.442 1.683 10 0 DDAERO CC(C)OCC[NH+]1CCN(C[C@@H](O)COC(C)(C)C)CC1 ZINC000105894137 194160356 /nfs/dbraw/zinc/16/03/56/194160356.db2.gz XVLTXICUVORQSK-OAHLLOKOSA-N 1 0 302.459 1.205 10 0 DDAERO CCn1cnnc1C1CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC000105929448 194172650 /nfs/dbraw/zinc/17/26/50/194172650.db2.gz HKLLXAWOILIYKD-LBPRGKRZSA-N 1 0 307.442 1.781 10 0 DDAERO CCN(C1(C[NH3+])CCCCC1)S(=O)(=O)C1CCOCC1 ZINC000050199011 183777411 /nfs/dbraw/zinc/77/74/11/183777411.db2.gz KMPPPJVIRPCKRO-UHFFFAOYSA-N 1 0 304.456 1.479 10 0 DDAERO CN(C(=O)NC1CCCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000109352809 194258900 /nfs/dbraw/zinc/25/89/00/194258900.db2.gz FIGBPIXEQRTBFD-UHFFFAOYSA-N 1 0 319.453 1.932 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN(c2ncnc3c2CCC3)CC1 ZINC000109471507 194266929 /nfs/dbraw/zinc/26/69/29/194266929.db2.gz BOVWHPHGWDNOPD-CYBMUJFWSA-N 1 0 305.451 1.152 10 0 DDAERO CC(C)NS(=O)(=O)c1ccccc1OC[C@H]1CCCC[NH2+]1 ZINC000051883362 183840472 /nfs/dbraw/zinc/84/04/72/183840472.db2.gz HERHZFSVZTYSAW-CYBMUJFWSA-N 1 0 312.435 1.894 10 0 DDAERO CCCNS(=O)(=O)c1ccc(N(C)[C@H]2CCC[NH2+]C2)cc1 ZINC000110932542 194370873 /nfs/dbraw/zinc/37/08/73/194370873.db2.gz WELUZPPTQFEMTG-AWEZNQCLSA-N 1 0 311.451 1.563 10 0 DDAERO CN(CCC(=O)Nc1ccccc1C(N)=S)CC[NH+](C)C ZINC000111137367 194394381 /nfs/dbraw/zinc/39/43/81/194394381.db2.gz RDBXFRJBUFPJRX-UHFFFAOYSA-N 1 0 308.451 1.143 10 0 DDAERO CN(CCC[NH+](C)C)C(=O)[C@H](Cc1ccccc1)C(N)=S ZINC000111138770 194394477 /nfs/dbraw/zinc/39/44/77/194394477.db2.gz HSMZAKKAUMDNIK-CQSZACIVSA-N 1 0 307.463 1.542 10 0 DDAERO CN(C[C@@H]1CCCOC1)S(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000111167048 194397530 /nfs/dbraw/zinc/39/75/30/194397530.db2.gz BKZFLMPBRRDVBP-NSHDSACASA-N 1 0 316.398 1.332 10 0 DDAERO CCC[NH2+][C@](C)(CCC[N@H+](C)C[C@@H]1CCCOC1)C(=O)[O-] ZINC000111169937 194398458 /nfs/dbraw/zinc/39/84/58/194398458.db2.gz ZUOHALGBFJPJJU-GOEBONIOSA-N 1 0 300.443 1.968 10 0 DDAERO CCCN[C@@](C)(C[N@H+](C)CC1CCOCC1)C(=O)OCC ZINC000111170056 194398686 /nfs/dbraw/zinc/39/86/86/194398686.db2.gz ZBNYFPRATNEWSQ-INIZCTEOSA-N 1 0 300.443 1.666 10 0 DDAERO CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCC([NH3+])CC2)C1 ZINC000058040865 184070449 /nfs/dbraw/zinc/07/04/49/184070449.db2.gz IDLASJBXNWOBRT-GFCCVEGCSA-N 1 0 311.426 1.583 10 0 DDAERO C[NH2+][C@@H](Cc1sccc1Br)CS(C)(=O)=O ZINC000060705798 184154326 /nfs/dbraw/zinc/15/43/26/184154326.db2.gz OMFUJBXDKPWNPE-ZETCQYMHSA-N 1 0 312.254 1.686 10 0 DDAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000061318639 184168413 /nfs/dbraw/zinc/16/84/13/184168413.db2.gz IEHJKHYMHOZQFW-UHFFFAOYSA-N 1 0 313.423 1.310 10 0 DDAERO C[NH+](C)CC(C)(C)CNc1nc(Cl)nc(-n2cncn2)n1 ZINC000061536351 184172638 /nfs/dbraw/zinc/17/26/38/184172638.db2.gz VMFCNTMRFDKGLS-UHFFFAOYSA-N 1 0 310.793 1.105 10 0 DDAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C(C)C)c1cnn(C)c1 ZINC000061595085 184176600 /nfs/dbraw/zinc/17/66/00/184176600.db2.gz VNXACAJJRWTKQR-QWRGUYRKSA-N 1 0 310.427 1.457 10 0 DDAERO CCOC(=O)[C@@](C)([NH3+])CCCCSc1n[nH]c(=O)n1CC ZINC000061607661 184178120 /nfs/dbraw/zinc/17/81/20/184178120.db2.gz CZGLRMVYDQHWIW-ZDUSSCGKSA-N 1 0 316.427 1.134 10 0 DDAERO NC(=S)[C@H](C(=O)N[C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000061615818 184178403 /nfs/dbraw/zinc/17/84/03/184178403.db2.gz HREBVAZERWIMFW-UONOGXRCSA-N 1 0 303.431 1.267 10 0 DDAERO CCOC(=O)[C@H]1CCCN(Cc2[nH+]c(NN)ccc2Cl)C1 ZINC000061638845 184179596 /nfs/dbraw/zinc/17/95/96/184179596.db2.gz VFFQSJDDVIYKQB-JTQLQIEISA-N 1 0 312.801 1.796 10 0 DDAERO CNS(=O)(=O)c1ccccc1NCc1ccccc1C[NH3+] ZINC000061841459 184189748 /nfs/dbraw/zinc/18/97/48/184189748.db2.gz GXOZRCYUPBAMGX-UHFFFAOYSA-N 1 0 305.403 1.666 10 0 DDAERO Cc1ccc(CNS(=O)(=O)c2cccc([C@H](C)[NH3+])c2)cn1 ZINC000062037810 184202836 /nfs/dbraw/zinc/20/28/36/184202836.db2.gz XSKIOMPXLHHSSO-LBPRGKRZSA-N 1 0 305.403 1.888 10 0 DDAERO CCCN[C@@H](CC[N@H+](CCOC)[C@@H](C)C1CC1)C(=O)OC ZINC000062463454 184238584 /nfs/dbraw/zinc/23/85/84/184238584.db2.gz DIBBIBSUACQXRJ-ZFWWWQNUSA-N 1 0 300.443 1.665 10 0 DDAERO C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1c1ccccc1)[NH+]1CCCC1 ZINC000062348287 184231603 /nfs/dbraw/zinc/23/16/03/184231603.db2.gz CTYNIJYPOLFAEF-HOCLYGCPSA-N 1 0 315.417 1.783 10 0 DDAERO C[C@H]1CN[C@@H](C(=O)Nc2ccccc2OC(F)(F)F)C[NH2+]1 ZINC000062813899 184253971 /nfs/dbraw/zinc/25/39/71/184253971.db2.gz FCZLBKAUMPLUBH-WCBMZHEXSA-N 1 0 303.284 1.474 10 0 DDAERO CCC1(c2nc3cc(S(C)(=O)=O)ccc3[nH]2)CC[NH2+]CC1 ZINC000062845024 184256166 /nfs/dbraw/zinc/25/61/66/184256166.db2.gz VURHJALMZWQPSC-UHFFFAOYSA-N 1 0 307.419 1.998 10 0 DDAERO CCC[C@]1(C(=O)N(CCOC)[C@H](C)COC)CCC[NH2+]C1 ZINC000062860158 184256820 /nfs/dbraw/zinc/25/68/20/184256820.db2.gz FHSUOYCILNAVSN-ZBFHGGJFSA-N 1 0 300.443 1.666 10 0 DDAERO CCC[C@]1(C(=O)N(CCOC)[C@@H](C)COC)CCC[NH2+]C1 ZINC000062860156 184256997 /nfs/dbraw/zinc/25/69/97/184256997.db2.gz FHSUOYCILNAVSN-HOCLYGCPSA-N 1 0 300.443 1.666 10 0 DDAERO CC[C@@]1(CNCc2ccc(S(C)(=O)=O)cc2)CCC[NH2+]C1 ZINC000062867759 184257013 /nfs/dbraw/zinc/25/70/13/184257013.db2.gz ITBFYKLPGRPNRQ-MRXNPFEDSA-N 1 0 310.463 1.960 10 0 DDAERO C[NH2+]Cc1ccc(O[C@H]2CCOC2=O)c(Br)c1 ZINC000062700861 184247867 /nfs/dbraw/zinc/24/78/67/184247867.db2.gz AKTICVBTKAFZFD-NSHDSACASA-N 1 0 300.152 1.863 10 0 DDAERO CCCn1cc(S(=O)(=O)N[C@@H]2CCCCC[C@H]2[NH3+])nc1C ZINC000063213195 184278327 /nfs/dbraw/zinc/27/83/27/184278327.db2.gz KGPHYUSJXUKLGT-CHWSQXEVSA-N 1 0 314.455 1.540 10 0 DDAERO CCn1cc(S(=O)(=O)N[C@H]2CCCCC[C@H]2[NH3+])nc1C ZINC000063213213 184278476 /nfs/dbraw/zinc/27/84/76/184278476.db2.gz ODWZEAXDYFEFCG-NEPJUHHUSA-N 1 0 300.428 1.150 10 0 DDAERO CCCn1cc(S(=O)(=O)N[C@H]2CCCCC[C@H]2[NH3+])nc1C ZINC000063213196 184278506 /nfs/dbraw/zinc/27/85/06/184278506.db2.gz KGPHYUSJXUKLGT-OLZOCXBDSA-N 1 0 314.455 1.540 10 0 DDAERO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000063213624 184279071 /nfs/dbraw/zinc/27/90/71/184279071.db2.gz LXLFEKJWRDAHDK-YIYPIFLZSA-N 1 0 303.472 1.459 10 0 DDAERO [NH3+][C@@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(F)cc1F ZINC000063213988 184279090 /nfs/dbraw/zinc/27/90/90/184279090.db2.gz VIKKKRWRDCEMAY-VXGBXAGGSA-N 1 0 304.362 1.903 10 0 DDAERO C[NH+](C)[C@@H]1CCN(CCC(=O)Nc2ccc(Cl)c(N)c2)C1 ZINC000062963767 184262751 /nfs/dbraw/zinc/26/27/51/184262751.db2.gz LHTCHYYIDGKHEA-GFCCVEGCSA-N 1 0 310.829 1.887 10 0 DDAERO O=S(=O)(NCCC(F)(F)F)c1cccc2c1CC[NH2+]C2 ZINC000063101287 184270832 /nfs/dbraw/zinc/27/08/32/184270832.db2.gz PESONMSSVFIHAV-UHFFFAOYSA-N 1 0 308.325 1.563 10 0 DDAERO O=C(NCCc1nccs1)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000063135077 184272899 /nfs/dbraw/zinc/27/28/99/184272899.db2.gz CBGWEHIQAYKCSW-ZDUSSCGKSA-N 1 0 308.451 1.018 10 0 DDAERO CC(C)[NH2+]C[C@H]1CCCN(S(=O)(=O)N2CCC(C)CC2)C1 ZINC000063138642 184273237 /nfs/dbraw/zinc/27/32/37/184273237.db2.gz NSPAUFYWSHOGNZ-OAHLLOKOSA-N 1 0 317.499 1.673 10 0 DDAERO CCOCCS(=O)(=O)N(CCC[NH3+])c1ccc(OC)cc1 ZINC000063153256 184274191 /nfs/dbraw/zinc/27/41/91/184274191.db2.gz GRKORBFSEDGKIB-UHFFFAOYSA-N 1 0 316.423 1.217 10 0 DDAERO C[C@H]1CCC[C@@](C[NH3+])(N(C)S(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000063154979 184274201 /nfs/dbraw/zinc/27/42/01/184274201.db2.gz GOCLTOHXYCETDK-MELADBBJSA-N 1 0 304.456 1.335 10 0 DDAERO [NH3+]CCCN(c1cccc(F)c1)S(=O)(=O)C[C@H]1CCCO1 ZINC000063154841 184274283 /nfs/dbraw/zinc/27/42/83/184274283.db2.gz XFUAHZZCURZRLC-CQSZACIVSA-N 1 0 316.398 1.490 10 0 DDAERO C[C@@H]([NH3+])CCNS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000063171071 184276081 /nfs/dbraw/zinc/27/60/81/184276081.db2.gz WLDDJEUUAOZKGQ-MRVPVSSYSA-N 1 0 312.313 1.601 10 0 DDAERO COCCC[NH2+]CC(=O)Nc1cccc(NC(=O)C2CC2)c1C ZINC000066068417 184386279 /nfs/dbraw/zinc/38/62/79/184386279.db2.gz USJXXRLQSTWPSK-UHFFFAOYSA-N 1 0 319.405 1.908 10 0 DDAERO O=S(=O)(N1CCC[C@@H](C[NH2+]C2CC2)C1)N1CCCCCC1 ZINC000113668259 194609197 /nfs/dbraw/zinc/60/91/97/194609197.db2.gz KCFIZUVLKKBHDN-AWEZNQCLSA-N 1 0 315.483 1.571 10 0 DDAERO CCN(Cc1ccccc1)S(=O)(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000262765557 285115414 /nfs/dbraw/zinc/11/54/14/285115414.db2.gz KQBVLARGBRUCNH-DZGCQCFKSA-N 1 0 311.451 1.483 10 0 DDAERO CCN(Cc1ccccc1)S(=O)(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000262772419 285116591 /nfs/dbraw/zinc/11/65/91/285116591.db2.gz WGOLKKYLNPACRS-CABCVRRESA-N 1 0 311.451 1.470 10 0 DDAERO COCC[S@](=O)Cc1cccc(NC(=O)C[NH2+]CC2CC2)c1 ZINC000159065607 197323637 /nfs/dbraw/zinc/32/36/37/197323637.db2.gz ASJLLGYMJGVBBY-JOCHJYFZSA-N 1 0 324.446 1.520 10 0 DDAERO COCC[S@](=O)Cc1cccc(NC(=O)[C@H]2CCCC[NH2+]2)c1 ZINC000159062559 197323375 /nfs/dbraw/zinc/32/33/75/197323375.db2.gz KPZYXAKHMNRNCB-IVZQSRNASA-N 1 0 324.446 1.662 10 0 DDAERO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2ccncc2F)C1 ZINC000286460270 219001128 /nfs/dbraw/zinc/00/11/28/219001128.db2.gz RIUAEIDJIFCZNB-STQMWFEESA-N 1 0 307.369 1.546 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CNC(=O)c2cccc(F)c2)C1 ZINC000155619222 197072297 /nfs/dbraw/zinc/07/22/97/197072297.db2.gz OBQZUAOHOUMFQP-DOMZBBRYSA-N 1 0 321.396 1.400 10 0 DDAERO C[NH+](C)C[C@H]1CN(Cc2nnc(-c3ccccc3)s2)CCO1 ZINC000155202919 197032067 /nfs/dbraw/zinc/03/20/67/197032067.db2.gz LVLBKIYKFVYILD-AWEZNQCLSA-N 1 0 318.446 1.968 10 0 DDAERO CCc1ccc([C@@H](C)[NH2+]CC(=O)NC(=O)N[C@H](C)COC)cc1 ZINC000120425519 195163809 /nfs/dbraw/zinc/16/38/09/195163809.db2.gz SKYYTIANHGHYPZ-CHWSQXEVSA-N 1 0 321.421 1.760 10 0 DDAERO CNC(=O)[C@@H]1C[C@H]2CN(Cc3ccncc3)C[C@H]2[N@@H+]1C(C)C ZINC000247972841 257113498 /nfs/dbraw/zinc/11/34/98/257113498.db2.gz DWSYJIUNOZTLKU-HRCADAONSA-N 1 0 302.422 1.111 10 0 DDAERO O=C([C@@H]1CC[C@H]2[C@H](CC[N@@H+]2CC2CCOCC2)O1)N1CCCO1 ZINC000247761974 257117913 /nfs/dbraw/zinc/11/79/13/257117913.db2.gz HVVRYVDLHNAPFN-JYJNAYRXSA-N 1 0 324.421 1.199 10 0 DDAERO O=C(NC[C@@H]1OC[C@H]2CC[N@H+](Cc3cccnc3)C[C@@H]12)C1CC1 ZINC000247402360 257119120 /nfs/dbraw/zinc/11/91/20/257119120.db2.gz NRXKAOQBVWQIHQ-ZACQAIPSSA-N 1 0 315.417 1.445 10 0 DDAERO O=C(NCC1CC1)[C@@H]1C[C@@H]2OCC[C@@H]2[N@H+](Cc2ccoc2)C1 ZINC000247460570 257119371 /nfs/dbraw/zinc/11/93/71/257119371.db2.gz APSBTXNUISJUKV-PMPSAXMXSA-N 1 0 304.390 1.785 10 0 DDAERO c1csc(C[N@H+]2CC[C@@H]3CO[C@@H](CN4CCOCC4)[C@@H]3C2)c1 ZINC000253596287 257105513 /nfs/dbraw/zinc/10/55/13/257105513.db2.gz PIPNBQUGPINKBM-OIISXLGYSA-N 1 0 322.474 1.917 10 0 DDAERO CCC[C@H](C(=O)Nc1ccc2c(c1)CCN2C(N)=O)[NH+](C)C ZINC000121546327 195304947 /nfs/dbraw/zinc/30/49/47/195304947.db2.gz HQAFHCAAFQATTH-CQSZACIVSA-N 1 0 304.394 1.797 10 0 DDAERO Cc1nccn1CCCCNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000121642474 195321636 /nfs/dbraw/zinc/32/16/36/195321636.db2.gz IZFWYFWIWOMRFK-HOCLYGCPSA-N 1 0 321.469 2.000 10 0 DDAERO [NH3+][C@@H]1CCC[C@H](C(=O)Nc2ccc(N3CCOCC3)cn2)C1 ZINC000164359352 132153147 /nfs/dbraw/zinc/15/31/47/132153147.db2.gz XWYGMKFQHIVTEJ-QWHCGFSZSA-N 1 0 304.394 1.374 10 0 DDAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)o1 ZINC000074218410 406906401 /nfs/dbraw/zinc/90/64/01/406906401.db2.gz PBZDWGVUUBJFNV-QWHCGFSZSA-N 1 0 307.394 1.175 10 0 DDAERO Cc1cc(N2CC[NH+](CCc3ccccn3)CC2)n2ncnc2n1 ZINC000029721250 406925790 /nfs/dbraw/zinc/92/57/90/406925790.db2.gz KXEZNOQKMLNFMK-UHFFFAOYSA-N 1 0 323.404 1.192 10 0 DDAERO CCC[NH+]1CCC(CNC(=O)NC[C@H]2CCCC[C@H]2O)CC1 ZINC000077803692 407009730 /nfs/dbraw/zinc/00/97/30/407009730.db2.gz XKAHKRPSLXCQGZ-HZPDHXFCSA-N 1 0 311.470 1.959 10 0 DDAERO CC(C)(C)OC[C@H](O)C[NH+]1CCN(c2ccccc2O)CC1 ZINC000046345919 407059614 /nfs/dbraw/zinc/05/96/14/407059614.db2.gz JICRSGFNBAZDTF-CQSZACIVSA-N 1 0 308.422 1.690 10 0 DDAERO CC(=O)N[C@H]1CCCN(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000079689523 407060675 /nfs/dbraw/zinc/06/06/75/407060675.db2.gz QSRBMUUXIHXNOW-ZBFHGGJFSA-N 1 0 324.469 1.419 10 0 DDAERO CCNC(=O)c1cccc(N2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000065256248 407241623 /nfs/dbraw/zinc/24/16/23/407241623.db2.gz IOWJRCBIPSDKTL-MRXNPFEDSA-N 1 0 310.401 1.982 10 0 DDAERO CC[C@](C)(O)C[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000123275649 407324399 /nfs/dbraw/zinc/32/43/99/407324399.db2.gz OSKFOLFRRVOOOY-KRWDZBQOSA-N 1 0 305.422 1.404 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(Cc2cccc(OC)c2OC)CC1 ZINC000123552565 407332352 /nfs/dbraw/zinc/33/23/52/407332352.db2.gz NRSDADLCVSTCIM-HNNXBMFYSA-N 1 0 308.422 1.592 10 0 DDAERO CC[C@@H](O)CN1CCN(C(=O)c2cccc(C(=O)OC)c2)CC1 ZINC000106398192 407359541 /nfs/dbraw/zinc/35/95/41/407359541.db2.gz DPVFYLWCIKMHFW-OAHLLOKOSA-N 1 0 320.389 1.002 10 0 DDAERO CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](C(N)=O)C2)C1 ZINC000109131011 407394943 /nfs/dbraw/zinc/39/49/43/407394943.db2.gz MLSDSFOFVJLMQV-OLZOCXBDSA-N 1 0 311.426 1.441 10 0 DDAERO CSC[C@H](C)NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000181793622 306700266 /nfs/dbraw/zinc/70/02/66/306700266.db2.gz SJIWKQKJONNHEL-STQMWFEESA-N 1 0 317.499 1.472 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)C1 ZINC000112196720 407422696 /nfs/dbraw/zinc/42/26/96/407422696.db2.gz OBMJICUIFLESNN-XHDPSFHLSA-N 1 0 323.343 1.620 10 0 DDAERO CC[C@@H]1CN(C(=O)c2cnn3c2CCCC3)CCN1CCOC ZINC000127487382 407437900 /nfs/dbraw/zinc/43/79/00/407437900.db2.gz HFUFISCDHNOKQX-CQSZACIVSA-N 1 0 320.437 1.402 10 0 DDAERO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)[C@@H]1CNC(=O)C1 ZINC000195518424 407465945 /nfs/dbraw/zinc/46/59/45/407465945.db2.gz WMEIINGAUCHYDH-AWEZNQCLSA-N 1 0 303.406 1.149 10 0 DDAERO CCC(=O)N1CCC[C@H](C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000113231357 407478035 /nfs/dbraw/zinc/47/80/35/407478035.db2.gz BGSPTAUNXHXGPF-SOUVJXGZSA-N 1 0 307.438 1.330 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COCCOc1ccccc1 ZINC000113231463 407479137 /nfs/dbraw/zinc/47/91/37/407479137.db2.gz HBXBFSUYUZDNLL-HZPDHXFCSA-N 1 0 318.417 1.777 10 0 DDAERO Cc1cc(C)nc(SCC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1 ZINC000113226595 407479437 /nfs/dbraw/zinc/47/94/37/407479437.db2.gz HLGGJEATVRQJSH-UONOGXRCSA-N 1 0 320.462 1.881 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C)Cc1ccccc1 ZINC000113267792 407485473 /nfs/dbraw/zinc/48/54/73/407485473.db2.gz SSMYESMBECPKTL-NVXWUHKLSA-N 1 0 301.434 1.814 10 0 DDAERO COc1ccc(CNC(=O)CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000113268347 407486195 /nfs/dbraw/zinc/48/61/95/407486195.db2.gz MCYBHYNCDYMTAF-GDBMZVCRSA-N 1 0 317.433 1.480 10 0 DDAERO CCCC(=O)N[C@@H]1CCCN(C(=O)NCCCn2ccnc2)C1 ZINC000171002412 407571359 /nfs/dbraw/zinc/57/13/59/407571359.db2.gz HRHYYNLJQZHCHR-CQSZACIVSA-N 1 0 321.425 1.364 10 0 DDAERO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000225444524 407584716 /nfs/dbraw/zinc/58/47/16/407584716.db2.gz NJLUOFYCIYSKNS-AWVCJSPBSA-N 1 0 321.465 1.806 10 0 DDAERO Cc1cccc(C)c1OC[C@H](O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178628525 407516955 /nfs/dbraw/zinc/51/69/55/407516955.db2.gz QWYJUDJHHHZZEP-IAGOWNOFSA-N 1 0 304.434 1.823 10 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NBSATFJEOREYHN-UHFFFAOYSA-N 1 0 307.375 1.527 10 0 DDAERO O[C@@H](COc1ccccc1)C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152589949 407657485 /nfs/dbraw/zinc/65/74/85/407657485.db2.gz RSQFNMODLCPCAJ-QAPCUYQASA-N 1 0 314.385 1.975 10 0 DDAERO Cc1ccn2cc(CN[C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)nc2c1 ZINC000261915751 407669005 /nfs/dbraw/zinc/66/90/05/407669005.db2.gz JPAGLCZDCQJDQE-GVDBMIGSSA-N 1 0 314.433 1.889 10 0 DDAERO CN(CCN1C(=O)c2ccccc2C1=O)C[C@H]1CCC[NH2+]C1 ZINC000261979542 407699038 /nfs/dbraw/zinc/69/90/38/407699038.db2.gz AHLQMAUEBYXSIY-ZDUSSCGKSA-N 1 0 301.390 1.214 10 0 DDAERO COC(=O)CCc1ccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000171564118 407705174 /nfs/dbraw/zinc/70/51/74/407705174.db2.gz VIZOBUHRHZFBGH-HNNXBMFYSA-N 1 0 319.405 1.960 10 0 DDAERO O=S(=O)(CCCN1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171638658 407731146 /nfs/dbraw/zinc/73/11/46/407731146.db2.gz ULEMBDRSSLAXSX-OAHLLOKOSA-N 1 0 308.447 1.630 10 0 DDAERO OC[C@H]1C[C@H](O)C[N@@H+]1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000179184449 407746630 /nfs/dbraw/zinc/74/66/30/407746630.db2.gz VCZMQJXYHHNOIL-OLZOCXBDSA-N 1 0 308.765 1.923 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1ccc(OCc2ccncc2)cc1 ZINC000262242578 407772976 /nfs/dbraw/zinc/77/29/76/407772976.db2.gz HVYLVPYYGQHUTO-HNNXBMFYSA-N 1 0 301.346 1.573 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)CCCOc2ccccc2)CCO1 ZINC000116794179 407780366 /nfs/dbraw/zinc/78/03/66/407780366.db2.gz CVVCKOMOJSPWNN-INIZCTEOSA-N 1 0 306.406 1.635 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1ccc(C)c(OCC2CCOCC2)c1 ZINC000262287249 407784559 /nfs/dbraw/zinc/78/45/59/407784559.db2.gz MMTTUNGEAYDFGA-HNNXBMFYSA-N 1 0 322.405 1.713 10 0 DDAERO CCCN(C)c1ccc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000116787380 407777680 /nfs/dbraw/zinc/77/76/80/407777680.db2.gz DEIADKKGOGVXGS-QGZVFWFLSA-N 1 0 319.449 1.935 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)CCC(=O)c2cccs2)CCO1 ZINC000116788411 407777823 /nfs/dbraw/zinc/77/78/23/407777823.db2.gz XSBXKKQKFIYNAL-GFCCVEGCSA-N 1 0 310.419 1.500 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1ccccc1Sc1nccn1C ZINC000262302846 407789742 /nfs/dbraw/zinc/78/97/42/407789742.db2.gz AZUYRGOEXVMSMY-SNVBAGLBSA-N 1 0 306.391 1.484 10 0 DDAERO COC[C@H]([NH3+])C(=O)NC[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000262308821 407793416 /nfs/dbraw/zinc/79/34/16/407793416.db2.gz OUHPXIZGSCHBPJ-JYJNAYRXSA-N 1 0 306.406 1.553 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)NCCOC(C)C)C[C@@H]1CC ZINC000186859235 407787282 /nfs/dbraw/zinc/78/72/82/407787282.db2.gz PPDLZRDUWIFNLB-HNNXBMFYSA-N 1 0 315.458 1.554 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cnc(-c3ccccc3)n2)C1 ZINC000132780900 407800348 /nfs/dbraw/zinc/80/03/48/407800348.db2.gz ZNOQUPJIAMRGCL-OAHLLOKOSA-N 1 0 313.405 1.546 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000132777437 407800602 /nfs/dbraw/zinc/80/06/02/407800602.db2.gz JVZOZFIUJWTMGI-IRXDYDNUSA-N 1 0 317.433 1.050 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1cc(C(=O)OC)ccc1OC(C)C ZINC000262341646 407806636 /nfs/dbraw/zinc/80/66/36/407806636.db2.gz FPRHJACRQIBVKJ-NSHDSACASA-N 1 0 310.350 1.173 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)NCc2cccc(Cl)c2)CCO1 ZINC000117023693 407807990 /nfs/dbraw/zinc/80/79/90/407807990.db2.gz RUJQXXCYVHFKBO-CQSZACIVSA-N 1 0 311.813 1.812 10 0 DDAERO [NH3+]C1(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)CCOCC1 ZINC000262356929 407808545 /nfs/dbraw/zinc/80/85/45/407808545.db2.gz VZNPZUSMBBHFQQ-UHFFFAOYSA-N 1 0 323.824 1.497 10 0 DDAERO COC[C@H]([NH3+])C(=O)N1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000262364019 407810908 /nfs/dbraw/zinc/81/09/08/407810908.db2.gz VWSSRJAIAWAYCK-DOMZBBRYSA-N 1 0 309.385 1.005 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C ZINC000262365468 407811300 /nfs/dbraw/zinc/81/13/00/407811300.db2.gz VZTDARGYFJWTOP-LLVKDONJSA-N 1 0 304.394 1.783 10 0 DDAERO COC[C@@H]([NH3+])C(=O)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000262389790 407823501 /nfs/dbraw/zinc/82/35/01/407823501.db2.gz YRODDMSEMJADOU-GFCCVEGCSA-N 1 0 300.761 1.601 10 0 DDAERO CC[C@H]1CN(C(=O)NC(C2CC2)C2CC2)CC[N@@H+]1CCOC ZINC000117474076 407838162 /nfs/dbraw/zinc/83/81/62/407838162.db2.gz OEMXKMCPWVCPHC-HNNXBMFYSA-N 1 0 309.454 1.927 10 0 DDAERO [NH3+][C@@H]1CC[C@H]2CN(c3ccc4nnc(C(F)(F)F)n4n3)C[C@H]12 ZINC000262579448 407871258 /nfs/dbraw/zinc/87/12/58/407871258.db2.gz YRLDEYTXPRXGRR-XHNCKOQMSA-N 1 0 312.299 1.317 10 0 DDAERO CC[C@H]1CN(C(=O)c2cc(N(C)C)ccn2)CC[N@@H+]1C[C@@H](C)O ZINC000133895472 407874627 /nfs/dbraw/zinc/87/46/27/407874627.db2.gz BMOUQSYZUKMZLQ-KGLIPLIRSA-N 1 0 320.437 1.065 10 0 DDAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(C(N)=O)co2)C12CCOCC2 ZINC000187711622 407879439 /nfs/dbraw/zinc/87/94/39/407879439.db2.gz LORFQPXORRQZEP-UONOGXRCSA-N 1 0 308.378 1.442 10 0 DDAERO CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000262653810 407892551 /nfs/dbraw/zinc/89/25/51/407892551.db2.gz YZZQWBJGOBYXTG-WBMJQRKESA-N 1 0 306.410 1.686 10 0 DDAERO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000180634718 407907889 /nfs/dbraw/zinc/90/78/89/407907889.db2.gz GGSFVLMKEWHSNI-KBPBESRZSA-N 1 0 321.469 1.953 10 0 DDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)OC ZINC000262721110 407910420 /nfs/dbraw/zinc/91/04/20/407910420.db2.gz ZZCDYZZSDZLWSC-CORIIIEPSA-N 1 0 322.405 1.214 10 0 DDAERO CCc1nc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)sc1C ZINC000181222927 407967710 /nfs/dbraw/zinc/96/77/10/407967710.db2.gz GXZBJWXUNDZDRQ-NSHDSACASA-N 1 0 312.439 1.808 10 0 DDAERO CCCCOCCNC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000245426795 407975488 /nfs/dbraw/zinc/97/54/88/407975488.db2.gz LMWXZZBFVBXALC-HZPDHXFCSA-N 1 0 311.470 1.478 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccn(C)c1=O ZINC000245430978 407978519 /nfs/dbraw/zinc/97/85/19/407978519.db2.gz MIEYMMBLSOXZDS-STQMWFEESA-N 1 0 304.394 1.476 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(Cc2cccc(C(=O)OC)c2)CC1 ZINC000174077943 407914962 /nfs/dbraw/zinc/91/49/62/407914962.db2.gz VRXNDSYSWNGCAD-MRXNPFEDSA-N 1 0 306.406 1.362 10 0 DDAERO CCC(CC)n1nc(C)cc1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000180862400 407927599 /nfs/dbraw/zinc/92/75/99/407927599.db2.gz ODPINOUIFQTGNG-OAHLLOKOSA-N 1 0 322.453 1.955 10 0 DDAERO C[C@H]1[NH2+]CCN(C(=O)c2cc(Br)cn2C)[C@H]1C ZINC000262790951 407934090 /nfs/dbraw/zinc/93/40/90/407934090.db2.gz NEZAEQNRFPQONE-BDAKNGLRSA-N 1 0 300.200 1.610 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2ccc3c(c2)CCC3)CCO1 ZINC000118793796 407943528 /nfs/dbraw/zinc/94/35/28/407943528.db2.gz CPNMTDNPXHQCEH-INIZCTEOSA-N 1 0 303.406 1.970 10 0 DDAERO COc1ccc(C)cc1NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000118791200 407943577 /nfs/dbraw/zinc/94/35/77/407943577.db2.gz RBYNZZLPURRWSZ-CYBMUJFWSA-N 1 0 307.394 1.798 10 0 DDAERO COc1cccc(OCC[N@@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000154386642 408029062 /nfs/dbraw/zinc/02/90/62/408029062.db2.gz IOWQCVLYONURMA-HNNXBMFYSA-N 1 0 306.406 1.481 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCCc2cnn(C)c2)C1 ZINC000119347947 408045446 /nfs/dbraw/zinc/04/54/46/408045446.db2.gz PCWKWIQMLGKEQQ-HIFRSBDPSA-N 1 0 307.442 1.381 10 0 DDAERO C[C@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)C[C@H]1N1CCOCC1 ZINC000245709690 408049957 /nfs/dbraw/zinc/04/99/57/408049957.db2.gz FSEJMINKWJWWPR-SUMWQHHRSA-N 1 0 300.406 1.715 10 0 DDAERO COC(=O)[C@H](C)Oc1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000245726325 408051970 /nfs/dbraw/zinc/05/19/70/408051970.db2.gz IUYKCRUUYUUHKO-HOCLYGCPSA-N 1 0 318.417 1.907 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3[nH]ccc3c2)C1 ZINC000174768710 407988761 /nfs/dbraw/zinc/98/87/61/407988761.db2.gz ADBMPJMLTZIBPQ-CQSZACIVSA-N 1 0 314.389 1.707 10 0 DDAERO CCc1onc(C)c1NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000119151279 408003570 /nfs/dbraw/zinc/00/35/70/408003570.db2.gz DTYIDCSXXCQPOQ-GFCCVEGCSA-N 1 0 310.398 1.514 10 0 DDAERO CN(C)c1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)n1 ZINC000181931522 408052998 /nfs/dbraw/zinc/05/29/98/408052998.db2.gz FSMYVFXRVYPONQ-ZDUSSCGKSA-N 1 0 303.410 1.850 10 0 DDAERO COCC[C@](C)(O)CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000174916979 408007171 /nfs/dbraw/zinc/00/71/71/408007171.db2.gz SNUDVRADILQUPV-WBVHZDCISA-N 1 0 308.422 1.063 10 0 DDAERO COCCOc1ccc(-c2nc([C@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263208312 408058892 /nfs/dbraw/zinc/05/88/92/408058892.db2.gz JZILXVJSLQKHOR-CQSZACIVSA-N 1 0 318.377 1.338 10 0 DDAERO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000119397716 408060280 /nfs/dbraw/zinc/06/02/80/408060280.db2.gz JSPMNXITAPHUGL-OIISXLGYSA-N 1 0 307.482 1.955 10 0 DDAERO COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1O ZINC000245814223 408071342 /nfs/dbraw/zinc/07/13/42/408071342.db2.gz ZYSUUOYQSDTOBF-UKRRQHHQSA-N 1 0 306.406 1.553 10 0 DDAERO Cc1nn(C)c2sc(-c3nc([C@@H]4C[NH2+]CCN4C)no3)cc12 ZINC000263258824 408078153 /nfs/dbraw/zinc/07/81/53/408078153.db2.gz QSDNQNYIYOBGFZ-JTQLQIEISA-N 1 0 318.406 1.569 10 0 DDAERO Cc1nn(C)c(C)c1C[C@H](C)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263274175 408084989 /nfs/dbraw/zinc/08/49/89/408084989.db2.gz SOKQUKIKESNGAO-HZMBPMFUSA-N 1 0 318.425 1.342 10 0 DDAERO CN1CC[NH2+]C[C@H]1c1noc(-c2cc(-c3ccncc3)on2)n1 ZINC000263272241 408085233 /nfs/dbraw/zinc/08/52/33/408085233.db2.gz 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PGWBDMUNFURGGP-YIYPIFLZSA-N 1 0 316.467 1.176 10 0 DDAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261897758 163724188 /nfs/dbraw/zinc/72/41/88/163724188.db2.gz WAGKIZPOXWVQIA-VNHYZAJKSA-N 1 0 318.421 1.782 10 0 DDAERO COc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000261929446 163730600 /nfs/dbraw/zinc/73/06/00/163730600.db2.gz ZQXPKVVINPBGIY-AWEZNQCLSA-N 1 0 312.435 1.752 10 0 DDAERO CC1(C)CN(C(=O)c2ccccc2N2CCOCC2)CC[C@H]1[NH3+] ZINC000262036260 163754173 /nfs/dbraw/zinc/75/41/73/163754173.db2.gz PSMUONLUQLJHLS-MRXNPFEDSA-N 1 0 317.433 1.723 10 0 DDAERO C[C@@]1(C[NH3+])CCN(C(=O)Cc2csc(-c3cnccn3)n2)C1 ZINC000262088488 163765633 /nfs/dbraw/zinc/76/56/33/163765633.db2.gz UHOCQWRORYVMDB-HNNXBMFYSA-N 1 0 317.418 1.340 10 0 DDAERO CC[C@@H]1Oc2cc([C@H](C)NC(=O)C3C[NH2+]C3)ccc2NC1=O ZINC000262269465 163796567 /nfs/dbraw/zinc/79/65/67/163796567.db2.gz SSPXXZMLBUSMFU-ZANVPECISA-N 1 0 303.362 1.193 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000262305774 163802414 /nfs/dbraw/zinc/80/24/14/163802414.db2.gz OKEWWTHDLOXCMA-AWEZNQCLSA-N 1 0 305.378 1.225 10 0 DDAERO Cc1ccccc1O[C@@H](C)CNC(=O)C1(C[NH3+])CCOCC1 ZINC000262359301 163813759 /nfs/dbraw/zinc/81/37/59/163813759.db2.gz VBMHAQWTLURKDG-AWEZNQCLSA-N 1 0 306.406 1.634 10 0 DDAERO COc1cc(C)ccc1OCc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263175478 163926103 /nfs/dbraw/zinc/92/61/03/163926103.db2.gz GDJRZSLLXZGPPB-GFCCVEGCSA-N 1 0 318.377 1.542 10 0 DDAERO CCOc1cc(CNC[C@H]2C[NH2+]C[C@H]2O)ccc1OCC(C)C ZINC000263253692 163939044 /nfs/dbraw/zinc/93/90/44/163939044.db2.gz QGJKGFRQJGQIIA-JKSUJKDBSA-N 1 0 322.449 1.790 10 0 DDAERO C[C@@H](O)CN1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000173290962 287093844 /nfs/dbraw/zinc/09/38/44/287093844.db2.gz CMZLXKOSBCWFFR-HUUCEWRRSA-N 1 0 319.449 1.275 10 0 DDAERO CC[C@@H]1CN(C(=O)/C=C/c2cncc(F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000174602401 287121746 /nfs/dbraw/zinc/12/17/46/287121746.db2.gz AVIDJGOLVBINFR-LVQRLBQTSA-N 1 0 321.396 1.538 10 0 DDAERO CCc1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)s1 ZINC000299918669 410641791 /nfs/dbraw/zinc/64/17/91/410641791.db2.gz KOSXPWFBNQPLLX-CMPLNLGQSA-N 1 0 300.449 1.683 10 0 DDAERO COc1ccc2nc(NC(=O)C3([NH3+])CCOCC3)sc2c1 ZINC000132064987 196222746 /nfs/dbraw/zinc/22/27/46/196222746.db2.gz IPCABZXPAHBLRW-UHFFFAOYSA-N 1 0 307.375 1.751 10 0 DDAERO C[C@H]([NH3+])[C@H]1CCN(c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000132448722 196256668 /nfs/dbraw/zinc/25/66/68/196256668.db2.gz MMWUVVQSVVVUJO-UWVGGRQHSA-N 1 0 304.362 1.856 10 0 DDAERO C[NH+](C)C[C@H](NC(=O)Cc1nc2ncccn2n1)c1ccccc1 ZINC000049612117 418478834 /nfs/dbraw/zinc/47/88/34/418478834.db2.gz VWVHHVFOMSCBGV-AWEZNQCLSA-N 1 0 324.388 1.086 10 0 DDAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000195174269 222193753 /nfs/dbraw/zinc/19/37/53/222193753.db2.gz GESAXASZTJIZFS-HZPDHXFCSA-N 1 0 314.470 1.648 10 0 DDAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]CCn1cncn1 ZINC000381828520 418729877 /nfs/dbraw/zinc/72/98/77/418729877.db2.gz WHSJEQKCOBZMCE-STQMWFEESA-N 1 0 309.414 1.561 10 0 DDAERO CC[C@@H]1CN(C(=O)/C=C\c2ccc(O)cc2)CC[N@@H+]1CCOC ZINC000492591522 420599647 /nfs/dbraw/zinc/59/96/47/420599647.db2.gz MTJBDSUTWPEJOF-CXOKCQFOSA-N 1 0 318.417 1.975 10 0 DDAERO NC(=O)c1ccc(NC(=O)[C@@H](C[NH3+])Cc2ccccc2)c(F)c1 ZINC000584660054 422300879 /nfs/dbraw/zinc/30/08/79/422300879.db2.gz SBWSKOPXJDTAGT-CYBMUJFWSA-N 1 0 315.348 1.681 10 0 DDAERO Cc1noc(CN2CCCC[C@H]([NH2+]Cc3ccco3)C2=O)n1 ZINC000643736573 423302903 /nfs/dbraw/zinc/30/29/03/423302903.db2.gz HMNQMJDKFXSMDR-ZDUSSCGKSA-N 1 0 304.350 1.642 10 0 DDAERO Cc1ncc(CN(C)C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)s1 ZINC000653111990 423319763 /nfs/dbraw/zinc/31/97/63/423319763.db2.gz IHPKYCMSZMIAPR-NXEZZACHSA-N 1 0 307.341 1.808 10 0 DDAERO CN1C[C@@H](C[NH2+]Cc2cccc(O)c2Br)CC1=O ZINC000657696953 424477841 /nfs/dbraw/zinc/47/78/41/424477841.db2.gz OMPICBNVBYODFV-SECBINFHSA-N 1 0 313.195 1.723 10 0 DDAERO CO[C@H]1C[C@@H](C(=O)N2CCC(OC3CCCC3)CC2)[N@H+](C)C1 ZINC000344623174 272072005 /nfs/dbraw/zinc/07/20/05/272072005.db2.gz AYRHBZPOFFHAPT-HOTGVXAUSA-N 1 0 310.438 1.656 10 0 DDAERO C[C@@H]1CN(C(=O)c2cc(Br)cn2C)[C@@H](C)C[NH2+]1 ZINC000086467635 274330324 /nfs/dbraw/zinc/33/03/24/274330324.db2.gz HLJQJHMCXKTILG-BDAKNGLRSA-N 1 0 300.200 1.610 10 0 DDAERO Cn1cc(Br)cc1C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000261537544 274890386 /nfs/dbraw/zinc/89/03/86/274890386.db2.gz MMMJKMDCILGNBO-SNVBAGLBSA-N 1 0 302.216 1.891 10 0 DDAERO CCC[C@H](O)C[N@H+](CCN1CCOCC1)Cc1ccccc1 ZINC000036030984 276287564 /nfs/dbraw/zinc/28/75/64/276287564.db2.gz PFFOLLCMDLUKFM-SFHVURJKSA-N 1 0 306.450 1.982 10 0 DDAERO C[N@@H+]1C[C@@H](C(=O)N2CCOc3ccncc32)[C@H](C(F)(F)F)C1 ZINC000299740531 277191771 /nfs/dbraw/zinc/19/17/71/277191771.db2.gz BKHHWLIWOGVCNN-NXEZZACHSA-N 1 0 315.295 1.547 10 0 DDAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(N2CCCC2=O)cc1 ZINC000237851203 279634982 /nfs/dbraw/zinc/63/49/82/279634982.db2.gz HCRWSLCLKJIEMP-HNNXBMFYSA-N 1 0 301.390 1.767 10 0 DDAERO Cc1nc(SCCC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)n[nH]1 ZINC000247460140 282054385 /nfs/dbraw/zinc/05/43/85/282054385.db2.gz UIBQICAKIFGPQV-ZYHUDNBSSA-N 1 0 311.455 1.440 10 0 DDAERO C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000333834627 289046093 /nfs/dbraw/zinc/04/60/93/289046093.db2.gz NEGDJOYHYGSQIH-VNQPRFMTSA-N 1 0 324.469 1.009 10 0 DDAERO C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCn2c(nnc2C2CC2)C1 ZINC000263267882 289190881 /nfs/dbraw/zinc/19/08/81/289190881.db2.gz RUPOBHHNJRMRSY-BLLLJJGKSA-N 1 0 303.410 1.405 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000170855092 298222673 /nfs/dbraw/zinc/22/26/73/298222673.db2.gz NRVOVIIXIGTRLH-ZIAGYGMSSA-N 1 0 309.454 1.434 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCN1CCOCC1(C)C ZINC000171100197 298228512 /nfs/dbraw/zinc/22/85/12/298228512.db2.gz JXWPFISCHYSLGS-AWEZNQCLSA-N 1 0 314.474 1.127 10 0 DDAERO COC[C@H](CCO)[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400466020 302369936 /nfs/dbraw/zinc/36/99/36/302369936.db2.gz SXLKCCJEYBGJTD-IHRRRGAJSA-N 1 0 316.442 1.619 10 0 DDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000136436055 484036023 /nfs/dbraw/zinc/03/60/23/484036023.db2.gz LAINKBQRKZJKRK-BXUZGUMPSA-N 1 0 312.435 1.641 10 0 DDAERO C[NH2+]C[C@@H](C)C(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000178888679 484110189 /nfs/dbraw/zinc/11/01/89/484110189.db2.gz SJWHAGGFQWYYGL-CQSZACIVSA-N 1 0 321.469 1.138 10 0 DDAERO CCOc1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1C ZINC000229594322 484166982 /nfs/dbraw/zinc/16/69/82/484166982.db2.gz YFLOTXANSQXDGF-GXTWGEPZSA-N 1 0 312.435 1.813 10 0 DDAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCC(=O)NCc1ccccc1 ZINC000261766827 484255513 /nfs/dbraw/zinc/25/55/13/484255513.db2.gz OATGTHMNFKQKLY-HUUCEWRRSA-N 1 0 303.406 1.184 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)C(c1ccccc1)c1ccccc1 ZINC000262134685 484263454 /nfs/dbraw/zinc/26/34/54/484263454.db2.gz GRJIJMSHORHOLF-IRXDYDNUSA-N 1 0 310.397 1.515 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cccc(Oc2ccccc2)c1 ZINC000262277498 484267551 /nfs/dbraw/zinc/26/75/51/484267551.db2.gz NMSYYHVCXVDQPG-RHSMWYFYSA-N 1 0 312.369 1.789 10 0 DDAERO CC(C)Oc1ccc(Cl)cc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262386492 484269780 /nfs/dbraw/zinc/26/97/80/484269780.db2.gz XKIMOJYFXFFUAW-GXFFZTMASA-N 1 0 312.797 1.437 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc2ccc(Cl)cc2n1 ZINC000262411942 484271166 /nfs/dbraw/zinc/27/11/66/484271166.db2.gz ZGJBXRUPUMWXBZ-YGRLFVJLSA-N 1 0 305.765 1.198 10 0 DDAERO C[C@@H](CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)c1ccsc1 ZINC000299740242 534053012 /nfs/dbraw/zinc/05/30/12/534053012.db2.gz XKOFUWOAUSLFNF-WCQYABFASA-N 1 0 319.434 1.798 10 0 DDAERO CC(=O)O[C@@H]1C[C@@H]2[C@H](O)[C@@H](C)C[C@@]34[C@@H]1CCC[N@@H+]3CCC[C@]24O ZINC000004098392 560195572 /nfs/dbraw/zinc/19/55/72/560195572.db2.gz ZHMNKOPAHVBXQW-HCXPVWKYSA-N 1 0 323.433 1.314 10 0 in-vitro DDAERO Cc1nc(C[NH2+]C2CC(C(N)=O)C2)sc1Br ZINC000719289049 699300242 /nfs/dbraw/zinc/30/02/42/699300242.db2.gz UFOJICOMCOOWDH-UHFFFAOYSA-N 1 0 304.213 1.568 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccnc1-n1cccn1 ZINC000113226277 696655443 /nfs/dbraw/zinc/65/54/43/696655443.db2.gz YJKCJMSGCRJTJI-ZIAGYGMSSA-N 1 0 311.389 1.576 10 0 DDAERO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)Cc1ccc(Cl)nc1 ZINC000124501923 696743653 /nfs/dbraw/zinc/74/36/53/696743653.db2.gz SWEXRDWHTUWFQP-WDEREUQCSA-N 1 0 303.815 1.282 10 0 DDAERO C[NH+](C)[C@@H]1CCN(Cn2nc(-c3ccc(F)cc3)oc2=O)C1 ZINC000170843038 697350833 /nfs/dbraw/zinc/35/08/33/697350833.db2.gz GAHVRCHBGUFNHK-CYBMUJFWSA-N 1 0 306.341 1.236 10 0 DDAERO CO[C@@H]1CCC[N@H+](Cn2cnc3c2ncnc3NC(C)C)C1 ZINC000170903051 697351397 /nfs/dbraw/zinc/35/13/97/697351397.db2.gz JNALINQLGNTLBR-GFCCVEGCSA-N 1 0 304.398 1.715 10 0 DDAERO Cc1ccc2c(CC(=O)NC[C@H]3CN(C)CCO3)c[nH]c2c1 ZINC000171135512 697354542 /nfs/dbraw/zinc/35/45/42/697354542.db2.gz ZHODQKWPOFZZSP-AWEZNQCLSA-N 1 0 301.390 1.466 10 0 DDAERO COC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000177169481 697410349 /nfs/dbraw/zinc/41/03/49/697410349.db2.gz LKXSDEYYKGFSQJ-MBNYWOFBSA-N 1 0 311.426 1.499 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCC1(C)OCCO1 ZINC000185792767 697523883 /nfs/dbraw/zinc/52/38/83/697523883.db2.gz AMASREMQQKLIOG-CYBMUJFWSA-N 1 0 301.431 1.415 10 0 DDAERO COc1cccc(C2=NO[C@@H](C(=O)N3CC[C@@H]([NH+](C)C)C3)C2)c1 ZINC000194252248 697701621 /nfs/dbraw/zinc/70/16/21/697701621.db2.gz HJYZDTJTZQYGAR-CZUORRHYSA-N 1 0 317.389 1.351 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCO[C@H](C(F)F)C2)C1 ZINC000194319795 697704764 /nfs/dbraw/zinc/70/47/64/697704764.db2.gz MUYYRPDIYIXBAP-WOPDTQHZSA-N 1 0 305.369 1.391 10 0 DDAERO COC(C[N@@H+]1CC[C@H](CN(C)Cc2scnc2C)C1)OC ZINC000195264722 697737225 /nfs/dbraw/zinc/73/72/25/697737225.db2.gz QYJGCTALNSAKOB-CYBMUJFWSA-N 1 0 313.467 1.824 10 0 DDAERO CC(C)CC(=O)N1CCC(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000236597390 697796588 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NSINVOOQFZRADO-PWSUYJOCSA-N 1 0 304.316 1.452 10 0 DDAERO Cc1cccc(CC[N@H+]2CCC[C@](O)(Cc3nncn3C)C2)c1 ZINC000886088913 708696089 /nfs/dbraw/zinc/69/60/89/708696089.db2.gz PJCNENLUQIJGFU-SFHVURJKSA-N 1 0 314.433 1.736 10 0 DDAERO C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000899077861 708976058 /nfs/dbraw/zinc/97/60/58/708976058.db2.gz IWCFDXHNZSMKHW-HIFRSBDPSA-N 1 0 303.410 1.413 10 0 DDAERO C[C@H](COCc1ccccc1)NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900870233 709799691 /nfs/dbraw/zinc/79/96/91/709799691.db2.gz KAVIVSAAXAPDRM-FRFSOERESA-N 1 0 306.406 1.163 10 0 DDAERO COC(=O)c1c(NC(=O)CC2C[NH2+]C2)sc2c1CCCC2 ZINC000081765939 192321701 /nfs/dbraw/zinc/32/17/01/192321701.db2.gz WGKOVXTYRLYQMV-UHFFFAOYSA-N 1 0 308.403 1.962 10 0 DDAERO C[NH2+][C@H]1c2ccccc2C[C@@H]1Sc1n[nH]c(=O)n1C1CC1 ZINC000081882133 192333942 /nfs/dbraw/zinc/33/39/42/192333942.db2.gz SQWVIAYXASZFBE-STQMWFEESA-N 1 0 302.403 1.884 10 0 DDAERO Cc1cccc(N2CCN(C(=O)CSCC[NH3+])CC2)c1C ZINC000096756259 185386322 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CCOc1cnc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)cn1 ZINC000188350549 539250964 /nfs/dbraw/zinc/25/09/64/539250964.db2.gz IVQHUOWTMRPSPK-QWHCGFSZSA-N 1 0 304.394 1.574 10 0 DDAERO C[C@H](Cc1ccsc1)NS(=O)(=O)c1ccc(C[NH3+])o1 ZINC000088543186 185256240 /nfs/dbraw/zinc/25/62/40/185256240.db2.gz AUMWMIGYUJQKNG-SECBINFHSA-N 1 0 300.405 1.709 10 0 DDAERO CC[NH2+][C@H]1c2ccccc2OC[C@@H]1S(=O)(=O)CCCOC ZINC000081985976 192348704 /nfs/dbraw/zinc/34/87/04/192348704.db2.gz QFGXUHQSKKSMGR-GJZGRUSLSA-N 1 0 313.419 1.550 10 0 DDAERO Cc1nn(C)c2sc(C(=O)NC[C@@H]3CC[N@H+](C)C3)c(N)c12 ZINC000088640948 185260698 /nfs/dbraw/zinc/26/06/98/185260698.db2.gz XAOLBTDDSGCIDP-VIFPVBQESA-N 1 0 307.423 1.207 10 0 DDAERO CN1C(=O)C[C@@H](n2c(N)[nH+]c3ccc(Br)cc32)C1=O ZINC000088779776 185265524 /nfs/dbraw/zinc/26/55/24/185265524.db2.gz LJEVGOOZTGEKFL-SECBINFHSA-N 1 0 323.150 1.311 10 0 DDAERO CN(CCN(C)[C@H]1CCS(=O)(=O)C1)Cc1ccc(F)cc1 ZINC000245411110 539268330 /nfs/dbraw/zinc/26/83/30/539268330.db2.gz VESGGYLERIIKID-HNNXBMFYSA-N 1 0 314.426 1.376 10 0 DDAERO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000246785201 539270723 /nfs/dbraw/zinc/27/07/23/539270723.db2.gz QZOZDXJCUZSVQW-BHYGNILZSA-N 1 0 322.405 1.091 10 0 DDAERO CC[NH2+][C@@H]1c2ccccc2C[C@H]1S(=O)(=O)CC(=O)OCC ZINC000081978027 192349395 /nfs/dbraw/zinc/34/93/95/192349395.db2.gz PFNMAQRYAMYXNL-UKRRQHHQSA-N 1 0 311.403 1.240 10 0 DDAERO CC[NH2+][C@H]1CCC(C)(C)C[C@H]1S(=O)(=O)CC(=O)OCC ZINC000081978046 192349874 /nfs/dbraw/zinc/34/98/74/192349874.db2.gz XMIBIGASGHMARY-NWDGAFQWSA-N 1 0 305.440 1.521 10 0 DDAERO [NH3+][C@@H]1c2ccccc2CCC[C@H]1S(=O)(=O)C1CCOCC1 ZINC000081989956 192351081 /nfs/dbraw/zinc/35/10/81/192351081.db2.gz PILDAWMKPWWPKL-HZPDHXFCSA-N 1 0 309.431 1.985 10 0 DDAERO CC[C@@H]([NH2+]C)[C@H](C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000082011682 192353331 /nfs/dbraw/zinc/35/33/31/192353331.db2.gz KEDJVHCIAGLHKT-GXFFZTMASA-N 1 0 319.448 1.250 10 0 DDAERO CC(C)n1cc(Br)cc1C(=O)N(C)C1C[NH2+]C1 ZINC000090289811 185289512 /nfs/dbraw/zinc/28/95/12/185289512.db2.gz JRBLINKQBMRNJC-UHFFFAOYSA-N 1 0 300.200 1.875 10 0 DDAERO O=S(=O)(c1ccc(F)cc1Cl)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090322195 185291000 /nfs/dbraw/zinc/29/10/00/185291000.db2.gz ZOODMEQOCOJBCK-IUCAKERBSA-N 1 0 304.774 1.319 10 0 DDAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1CC(=O)NCc1ccccc1Cl ZINC000090328033 185291261 /nfs/dbraw/zinc/29/12/61/185291261.db2.gz CIKZAUYPNJWBHY-BNOWGMLFSA-N 1 0 307.825 1.496 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000090336932 185291894 /nfs/dbraw/zinc/29/18/94/185291894.db2.gz SIXAQUHRJWOMGA-MFKMUULPSA-N 1 0 314.838 1.959 10 0 DDAERO CC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ncc(Br)s1 ZINC000090489625 185298887 /nfs/dbraw/zinc/29/88/87/185298887.db2.gz LIVAILZOKSDUPR-RQJHMYQMSA-N 1 0 320.212 1.469 10 0 DDAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000090488432 185298903 /nfs/dbraw/zinc/29/89/03/185298903.db2.gz HSHKUYPXNMQAHV-VXGBXAGGSA-N 1 0 300.305 1.851 10 0 DDAERO C[C@H](NC(=O)[C@@H]1COC[C@@H]1[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000090381000 185293576 /nfs/dbraw/zinc/29/35/76/185293576.db2.gz NLDLDELRLAZDGM-AXTRIDKLSA-N 1 0 302.296 1.856 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)NCc1ccccc1C(F)(F)F ZINC000090437519 185296305 /nfs/dbraw/zinc/29/63/05/185296305.db2.gz FBQBMJZRESNANA-ZYHUDNBSSA-N 1 0 302.296 1.556 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(C)c(Br)c1 ZINC000090437785 185296321 /nfs/dbraw/zinc/29/63/21/185296321.db2.gz UXCLAMGAICABET-PWSUYJOCSA-N 1 0 313.195 1.930 10 0 DDAERO COC(=O)c1cc(Cl)ccc1NC(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090585717 185305101 /nfs/dbraw/zinc/30/51/01/185305101.db2.gz OFWKPOAPNOOLSW-SMDDNHRTSA-N 1 0 312.753 1.429 10 0 DDAERO C[C@@]1(C(=O)Nc2cc3c(cc2Cl)NC(=O)C3)COC[C@@H]1[NH3+] ZINC000090586720 185305184 /nfs/dbraw/zinc/30/51/84/185305184.db2.gz BFJAVDQNMOVMJY-SMDDNHRTSA-N 1 0 309.753 1.137 10 0 DDAERO O=C(c1cnccn1)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000090700849 185310496 /nfs/dbraw/zinc/31/04/96/185310496.db2.gz JHGMNOKEEOEULE-CYBMUJFWSA-N 1 0 306.435 1.520 10 0 DDAERO Cc1oc(C)c(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1CO ZINC000092678243 185333337 /nfs/dbraw/zinc/33/33/37/185333337.db2.gz UMOUISHRXLDAPV-LBPRGKRZSA-N 1 0 316.423 1.103 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(O)c(N)c1 ZINC000092622687 185329700 /nfs/dbraw/zinc/32/97/00/185329700.db2.gz GCULJRUBNFHKAL-NSHDSACASA-N 1 0 313.423 1.079 10 0 DDAERO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1c(F)cc(N)cc1F ZINC000092622124 185329910 /nfs/dbraw/zinc/32/99/10/185329910.db2.gz TXVLAUGXXSAQQS-SNVBAGLBSA-N 1 0 319.377 1.262 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cnccc1Cl ZINC000092627904 185330479 /nfs/dbraw/zinc/33/04/79/185330479.db2.gz PREWJWQEFUPSEV-NSHDSACASA-N 1 0 317.842 1.840 10 0 DDAERO [NH3+]C1CCN(CC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000092713925 185335964 /nfs/dbraw/zinc/33/59/64/185335964.db2.gz SVQOJGNERQVQBN-JQWIXIFHSA-N 1 0 307.360 1.647 10 0 DDAERO C[NH2+]CC1CCN(S(=O)(=O)NCC2C(C)(C)C2(C)C)CC1 ZINC000092833121 185344842 /nfs/dbraw/zinc/34/48/42/185344842.db2.gz YWJNTXIGSRXVQG-UHFFFAOYSA-N 1 0 317.499 1.434 10 0 DDAERO C[NH2+]C[C@H]1CCCN(S(=O)(=O)NCC2C(C)(C)C2(C)C)C1 ZINC000092833182 185345003 /nfs/dbraw/zinc/34/50/03/185345003.db2.gz UPGUKZXHVBCJES-GFCCVEGCSA-N 1 0 317.499 1.434 10 0 DDAERO CCn1cnc(S(=O)(=O)N(C)Cc2cccc(C[NH3+])c2)c1 ZINC000092889771 185348130 /nfs/dbraw/zinc/34/81/30/185348130.db2.gz YCXHDUGUGBTZLF-UHFFFAOYSA-N 1 0 308.407 1.182 10 0 DDAERO CCn1cnc(S(=O)(=O)N(C)CC[C@@H]2CCCC[NH2+]2)c1 ZINC000092910039 185348660 /nfs/dbraw/zinc/34/86/60/185348660.db2.gz TVSVWKCTHZTEKL-LBPRGKRZSA-N 1 0 300.428 1.056 10 0 DDAERO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000092952917 185350466 /nfs/dbraw/zinc/35/04/66/185350466.db2.gz YRRZPLLNGQXKPM-BDAKNGLRSA-N 1 0 318.345 1.619 10 0 DDAERO CC[C@H]1CN(C(=O)NCc2ccncc2)CC[N@@H+]1C[C@@H](C)O ZINC000181525781 199311087 /nfs/dbraw/zinc/31/10/87/199311087.db2.gz QFLFKNYLMFJUEI-HIFRSBDPSA-N 1 0 306.410 1.068 10 0 DDAERO CCCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000181756293 199347876 /nfs/dbraw/zinc/34/78/76/199347876.db2.gz VJXSVICUNNYVCF-LBPRGKRZSA-N 1 0 313.419 1.933 10 0 DDAERO C[C@@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)S1(=O)=O ZINC000400830951 539512876 /nfs/dbraw/zinc/51/28/76/539512876.db2.gz GLNBSYFCPYDWIY-AXOHJZAGSA-N 1 0 300.468 1.415 10 0 DDAERO C[C@H]1CN(CC(=O)Nc2ccccc2Br)C[C@@H]1[NH3+] ZINC000235655857 201919101 /nfs/dbraw/zinc/91/91/01/201919101.db2.gz QXGVWNYHBVSCDI-ONGXEEELSA-N 1 0 312.211 1.667 10 0 DDAERO CCC[C@H](C(=O)NC[C@H]1CCN(CC(F)(F)F)C1)[NH+](C)C ZINC000161702523 290788054 /nfs/dbraw/zinc/78/80/54/290788054.db2.gz LHMIELZYNRENQB-VXGBXAGGSA-N 1 0 309.376 1.717 10 0 DDAERO COC[C@@H](O)COc1c(Br)cc(C[NH3+])cc1OC ZINC000069053663 190794949 /nfs/dbraw/zinc/79/49/49/190794949.db2.gz WNGMSFFPCVTYGC-SECBINFHSA-N 1 0 320.183 1.303 10 0 DDAERO C[N@@H+]1CCC[C@H](n2ncc(I)c2N)CC1 ZINC000083419281 192370974 /nfs/dbraw/zinc/37/09/74/192370974.db2.gz CFTUVHCXPDFYQJ-QMMMGPOBSA-N 1 0 320.178 1.727 10 0 DDAERO C[C@@H]1C[N@H+](Cc2cnc(N)s2)CC[C@@H]1NC(=O)CC1CC1 ZINC000725273011 539570909 /nfs/dbraw/zinc/57/09/09/539570909.db2.gz XDKRMRHNCLIZBR-MFKMUULPSA-N 1 0 308.451 1.852 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCSC[C@@H]2C)cc1 ZINC000070222878 190873622 /nfs/dbraw/zinc/87/36/22/190873622.db2.gz FLEFXDVZJVTMOH-LBPRGKRZSA-N 1 0 314.476 1.922 10 0 DDAERO CC[C@H](C[NH3+])NS(=O)(=O)c1ccc(Br)cc1 ZINC000083566390 192373290 /nfs/dbraw/zinc/37/32/90/192373290.db2.gz WIRLBZYARDUBBV-SECBINFHSA-N 1 0 307.213 1.465 10 0 DDAERO C[C@H]1CCC[C@](C[NH3+])(Nc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000071391596 190965971 /nfs/dbraw/zinc/96/59/71/190965971.db2.gz NXPXGOIPZUGSBQ-HZMBPMFUSA-N 1 0 315.414 1.793 10 0 DDAERO CC[NH2+][C@H](C)CCC[S@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084055972 192397595 /nfs/dbraw/zinc/39/75/95/192397595.db2.gz ZEPPWDLZPIBFPF-CWTRNNRKSA-N 1 0 317.476 1.976 10 0 DDAERO CS(=O)(=O)N1CCCc2cc(C(=O)C3CC[NH2+]CC3)ccc21 ZINC000071665778 191001912 /nfs/dbraw/zinc/00/19/12/191001912.db2.gz HQQWURNVJCWXCS-UHFFFAOYSA-N 1 0 322.430 1.581 10 0 DDAERO CN(Cc1cc2n(n1)CCC[NH2+]C2)Cc1[nH]nc2c1CCC2 ZINC000072163799 191063205 /nfs/dbraw/zinc/06/32/05/191063205.db2.gz NIVHKGYTSDCSTM-UHFFFAOYSA-N 1 0 300.410 1.220 10 0 DDAERO CCCOc1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000171908047 198006312 /nfs/dbraw/zinc/00/63/12/198006312.db2.gz BJTNGJKFRUGOSO-OAHLLOKOSA-N 1 0 318.421 1.860 10 0 DDAERO COc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2O)cc1Br ZINC000623764732 366043442 /nfs/dbraw/zinc/04/34/42/366043442.db2.gz JIFMJBXTCWCOCL-NEPJUHHUSA-N 1 0 316.195 1.697 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(CO)c1 ZINC000172264054 198067558 /nfs/dbraw/zinc/06/75/58/198067558.db2.gz HKDFCPRTVOLQQH-CZUORRHYSA-N 1 0 303.406 1.557 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2c(F)cc(F)cc2F)C1 ZINC000174006842 198280727 /nfs/dbraw/zinc/28/07/27/198280727.db2.gz VCLKFCIGXYQCQG-SECBINFHSA-N 1 0 315.295 1.205 10 0 DDAERO CCOCC(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000174853877 198393593 /nfs/dbraw/zinc/39/35/93/198393593.db2.gz IRLZGHGTXWQIAJ-KRWDZBQOSA-N 1 0 320.433 1.585 10 0 DDAERO CC(C)(C(=O)NCCc1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000129696840 354085114 /nfs/dbraw/zinc/08/51/14/354085114.db2.gz YCCUHHMXPQSPDV-UHFFFAOYSA-N 1 0 309.841 1.683 10 0 DDAERO COC(=O)C[C@H](NC(=O)[C@H]1CCC[C@H]1C[NH3+])c1cccs1 ZINC000250363756 354381280 /nfs/dbraw/zinc/38/12/80/354381280.db2.gz HYVQZVLJEAEQFR-SRVKXCTJSA-N 1 0 310.419 1.844 10 0 DDAERO CC[C@H](SC)C(=O)N1CCO[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000328634096 354555447 /nfs/dbraw/zinc/55/54/47/354555447.db2.gz MMRHVWXAFPZUFC-KBPBESRZSA-N 1 0 300.468 1.697 10 0 DDAERO OCCN1CCC[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000384726278 354629818 /nfs/dbraw/zinc/62/98/18/354629818.db2.gz OPUKHCABYYTSRM-GOSISDBHSA-N 1 0 314.433 1.478 10 0 DDAERO Cc1nn(C[C@](C)(CO)[NH2+]C2CC2)c(C)c1Br ZINC000085262369 192485775 /nfs/dbraw/zinc/48/57/75/192485775.db2.gz NCDLMPWKLGCXLA-GFCCVEGCSA-N 1 0 302.216 1.765 10 0 DDAERO CC[C@@]1(C)CSC(NCc2ccc(S(N)(=O)=O)cc2)=[NH+]1 ZINC000080883326 192197832 /nfs/dbraw/zinc/19/78/32/192197832.db2.gz DJKLYIWJSHJWDW-ZDUSSCGKSA-N 1 0 313.448 1.695 10 0 DDAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccc(Br)cn1 ZINC000624238850 366255374 /nfs/dbraw/zinc/25/53/74/366255374.db2.gz ZUSZOKXECOBPHH-KPXOXKRLSA-N 1 0 301.184 1.645 10 0 DDAERO CCC[NH2+]Cc1cnc(N2CCn3cnnc3C2)c(Cl)c1 ZINC000081542497 192287303 /nfs/dbraw/zinc/28/73/03/192287303.db2.gz FOYSNCAETSPZHQ-UHFFFAOYSA-N 1 0 306.801 1.846 10 0 DDAERO FC(F)(F)c1nnc2n1CCN(CCC[C@@H]1CCC[NH2+]1)C2 ZINC000081546991 192287984 /nfs/dbraw/zinc/28/79/84/192287984.db2.gz LDWGKROERJOOIZ-JTQLQIEISA-N 1 0 303.332 1.645 10 0 DDAERO CC[NH2+][C@@H]1CCCc2nc(N3CCn4cnnc4C3)sc21 ZINC000081547914 192288214 /nfs/dbraw/zinc/28/82/14/192288214.db2.gz SBBYEXGMVLLWTO-SNVBAGLBSA-N 1 0 304.423 1.742 10 0 DDAERO CS(=O)(=O)c1ccc(Sc2cccc(C(N)=[NH2+])n2)cc1 ZINC000081622827 192304472 /nfs/dbraw/zinc/30/44/72/192304472.db2.gz ZHAHNJLZGXEYTM-UHFFFAOYSA-N 1 0 307.400 1.920 10 0 DDAERO CC[C@@H](C)[C@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)CC[NH2+]1 ZINC000086146585 192548743 /nfs/dbraw/zinc/54/87/43/192548743.db2.gz ITUHGOJIZSVZJH-CZUORRHYSA-N 1 0 310.463 1.910 10 0 DDAERO COCCN(CCOc1ccc(F)cc1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000237077096 202144800 /nfs/dbraw/zinc/14/48/00/202144800.db2.gz OBHYPSRJTJDVGY-DZGCQCFKSA-N 1 0 324.396 1.807 10 0 DDAERO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2S(C)(=O)=O)cc1OC ZINC000086671068 192588062 /nfs/dbraw/zinc/58/80/62/192588062.db2.gz JKPDOAGVSSLIFZ-IUODEOHRSA-N 1 0 313.419 1.759 10 0 DDAERO CCSC1(CNC(=O)C2(CCOC)CC[NH2+]CC2)CC1 ZINC000595987093 356736810 /nfs/dbraw/zinc/73/68/10/356736810.db2.gz KFYNEERVBDFJKF-UHFFFAOYSA-N 1 0 300.468 1.795 10 0 DDAERO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)NC(=O)Nc2ccccc2)C1 ZINC000237181575 202178691 /nfs/dbraw/zinc/17/86/91/202178691.db2.gz GFAGYMUKKWDBPX-KGLIPLIRSA-N 1 0 318.421 1.655 10 0 DDAERO CC(C)(O)C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000087027463 192613271 /nfs/dbraw/zinc/61/32/71/192613271.db2.gz BLVIVBRKGYMDHZ-NSHDSACASA-N 1 0 318.211 1.549 10 0 DDAERO Cc1nn(CC[NH3+])c(C)c1S(=O)(=O)N1CCCCCCC1 ZINC000088936447 192662086 /nfs/dbraw/zinc/66/20/86/192662086.db2.gz PAYVKKIDPMFPTK-UHFFFAOYSA-N 1 0 314.455 1.413 10 0 DDAERO CC[NH2+]CCCCS(=O)(=O)N(C)Cc1ccc(F)cc1 ZINC000088987552 192684746 /nfs/dbraw/zinc/68/47/46/192684746.db2.gz IZUYPAAPDFVFPJ-UHFFFAOYSA-N 1 0 302.415 1.977 10 0 DDAERO CC[NH2+]Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC ZINC000088976914 192677827 /nfs/dbraw/zinc/67/78/27/192677827.db2.gz ZFXMWBWJVOJVCS-UHFFFAOYSA-N 1 0 300.424 1.882 10 0 DDAERO CCN(C[C@@H]1CCCO1)S(=O)(=O)c1ccccc1C[NH2+]C ZINC000088993646 192687056 /nfs/dbraw/zinc/68/70/56/192687056.db2.gz RWUWMVMQFKSNOC-AWEZNQCLSA-N 1 0 312.435 1.596 10 0 DDAERO COCCOc1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000180285024 199141263 /nfs/dbraw/zinc/14/12/63/199141263.db2.gz DHRTZAINMICPNG-CQSZACIVSA-N 1 0 305.378 1.027 10 0 DDAERO C[NH2+]CCN(C)C(=O)[C@@H](NC(=O)c1ccccc1OC)C(C)C ZINC000237302692 202222982 /nfs/dbraw/zinc/22/29/82/202222982.db2.gz CTZFROPPVVJMNL-HNNXBMFYSA-N 1 0 321.421 1.127 10 0 DDAERO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(Cc2cn(C(C)(C)C)nn2)C1 ZINC000348124863 283380525 /nfs/dbraw/zinc/38/05/25/283380525.db2.gz HLDGRXZSXHJMCI-HOTGVXAUSA-N 1 0 321.469 1.718 10 0 DDAERO CCC[NH2+]CCn1cc(S(=O)(=O)N(C)CC(C)(C)C)cn1 ZINC000089013532 192698248 /nfs/dbraw/zinc/69/82/48/192698248.db2.gz ARXCEPOFCKYCDW-UHFFFAOYSA-N 1 0 316.471 1.549 10 0 DDAERO CCC[NH2+]C[C@@]1(CN2CCS(=O)(=O)CC2)CCC[C@@H](C)C1 ZINC000089616378 192826846 /nfs/dbraw/zinc/82/68/46/192826846.db2.gz NMIMNGNDPXUBII-HZPDHXFCSA-N 1 0 316.511 1.913 10 0 DDAERO Cc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)nc(C(F)(F)F)n1 ZINC000189094721 200347798 /nfs/dbraw/zinc/34/77/98/200347798.db2.gz UETUOKIYSXMRCI-SECBINFHSA-N 1 0 302.300 1.580 10 0 DDAERO COc1ccnc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1OC ZINC000190572745 200559612 /nfs/dbraw/zinc/55/96/12/200559612.db2.gz WYKVJIFMLDRWBD-GFCCVEGCSA-N 1 0 302.378 1.822 10 0 DDAERO CCCCOC[C@H](O)C[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000195189220 201357023 /nfs/dbraw/zinc/35/70/23/201357023.db2.gz ZUFUWQZKERPERA-GOSISDBHSA-N 1 0 322.449 1.687 10 0 DDAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CCNC(=O)c3ccsc3)C[C@H]12 ZINC000248564254 202746511 /nfs/dbraw/zinc/74/65/11/202746511.db2.gz BJWRTZMFMKOPEL-WCFLWFBJSA-N 1 0 307.419 1.064 10 0 DDAERO COC(=O)[C@@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1ccccc1 ZINC000091290892 193031255 /nfs/dbraw/zinc/03/12/55/193031255.db2.gz LDUXIXXZLCQQIG-JSGCOSHPSA-N 1 0 308.403 1.112 10 0 DDAERO COc1ccc([C@H](C)NC(=O)C2C[NH2+]C2)cc1Br ZINC000091408249 193051846 /nfs/dbraw/zinc/05/18/46/193051846.db2.gz HSHZJKKWVGJFPP-QMMMGPOBSA-N 1 0 313.195 1.854 10 0 DDAERO CC[NH2+][C@H](CCCS(C)(=O)=O)[C@@](C)(CC)N1CCOCC1 ZINC000091612970 193079426 /nfs/dbraw/zinc/07/94/26/193079426.db2.gz MEEDOLVSLYFYIQ-HUUCEWRRSA-N 1 0 320.499 1.290 10 0 DDAERO C[NH2+][C@H](Cc1ccc(Br)cc1)[C@@H]1CN(C)CCO1 ZINC000091717855 193096864 /nfs/dbraw/zinc/09/68/64/193096864.db2.gz 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IOTIXCWQEBOVJX-UHFFFAOYSA-N 1 0 309.439 1.266 10 0 DDAERO CC[NH2+][C@H](CCCS(=O)(=O)CC)[C@H]1CN(C(C)C)CCO1 ZINC000093927790 193329263 /nfs/dbraw/zinc/32/92/63/193329263.db2.gz OAUNAIMJYVAUAV-HUUCEWRRSA-N 1 0 320.499 1.289 10 0 DDAERO O=S(=O)(N(CC1CC[NH2+]CC1)C1CC1)N1CCCCC1 ZINC000094024168 193339325 /nfs/dbraw/zinc/33/93/25/193339325.db2.gz SCRPCXUWAFYOFQ-UHFFFAOYSA-N 1 0 301.456 1.181 10 0 DDAERO CCc1nc(S(=O)(=O)N(CC2CC[NH2+]CC2)C2CC2)c[nH]1 ZINC000094024179 193339406 /nfs/dbraw/zinc/33/94/06/193339406.db2.gz INCLEZDAACGHSZ-UHFFFAOYSA-N 1 0 312.439 1.125 10 0 DDAERO CCC[NH2+][C@H]1[C@@H](CN2CCS(=O)(=O)CC2)CCCC1(C)C ZINC000094286851 193356177 /nfs/dbraw/zinc/35/61/77/193356177.db2.gz AYNGDBQKWAKTHX-CABCVRRESA-N 1 0 316.511 1.911 10 0 DDAERO CN(CCS(C)(=O)=O)[C@]1(C[NH3+])CCC[C@H](C(F)(F)F)C1 ZINC000094297959 193356792 /nfs/dbraw/zinc/35/67/92/193356792.db2.gz KJQRPNYTMKZMRM-WDEREUQCSA-N 1 0 316.389 1.413 10 0 DDAERO CC[C@@H]([NH3+])[C@H](c1ccc(F)cc1)N(C)CCS(C)(=O)=O ZINC000094297416 193356906 /nfs/dbraw/zinc/35/69/06/193356906.db2.gz OQLYOWYCIRKTGV-KGLIPLIRSA-N 1 0 302.415 1.581 10 0 DDAERO CCOc1ccccc1[C@H](CN(C)CCS(C)(=O)=O)[NH2+]C ZINC000094298508 193357397 /nfs/dbraw/zinc/35/73/97/193357397.db2.gz HSSIKESSQXCISH-AWEZNQCLSA-N 1 0 314.451 1.322 10 0 DDAERO C[NH2+]Cc1cc2ccccc2nc1N(C)CCS(C)(=O)=O ZINC000094299214 193357782 /nfs/dbraw/zinc/35/77/82/193357782.db2.gz RQANBNXQIYEPSD-UHFFFAOYSA-N 1 0 307.419 1.435 10 0 DDAERO CCC[NH2+][C@H]1[C@@H](CN(C)CCS(C)(=O)=O)CCC1(C)C ZINC000094319295 193359234 /nfs/dbraw/zinc/35/92/34/193359234.db2.gz UYZRJSBIFBZNMK-KGLIPLIRSA-N 1 0 304.500 1.767 10 0 DDAERO CCS(=O)(=O)CCOc1c(F)cc(C[C@H](C)[NH3+])cc1F ZINC000094350232 193363279 /nfs/dbraw/zinc/36/32/79/193363279.db2.gz CLQBHBVQKSEAIX-VIFPVBQESA-N 1 0 307.362 1.668 10 0 DDAERO Cc1cc(N)c(C)c(S(=O)(=O)N[C@H](C[NH+](C)C)C(C)C)c1 ZINC000094358547 193364098 /nfs/dbraw/zinc/36/40/98/193364098.db2.gz OGEWYTNMGNAZMM-CQSZACIVSA-N 1 0 313.467 1.750 10 0 DDAERO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(C)cc(N)c2C)C1 ZINC000094358477 193364182 /nfs/dbraw/zinc/36/41/82/193364182.db2.gz NPLQHHVHZCCUGV-ZDUSSCGKSA-N 1 0 311.451 1.648 10 0 DDAERO Cc1cc(NC(=O)[C@@]2(C)COC[C@@H]2[NH3+])ncc1Br ZINC000094063679 193342494 /nfs/dbraw/zinc/34/24/94/193342494.db2.gz JCUFGLZEEOBVLY-CABZTGNLSA-N 1 0 314.183 1.455 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc(F)c1N ZINC000094457213 193371612 /nfs/dbraw/zinc/37/16/12/193371612.db2.gz IKZJPAVQTKZQET-WDEREUQCSA-N 1 0 313.398 1.265 10 0 DDAERO CCC[NH2+][C@@H](Cc1ccncc1Cl)[C@H]1CN2CCN1CC2 ZINC000094510522 193375243 /nfs/dbraw/zinc/37/52/43/193375243.db2.gz QGBHCRDZOVYVOJ-JKSUJKDBSA-N 1 0 308.857 1.646 10 0 DDAERO Brc1ccc2nc(NC[C@@H]3CCC[NH2+]C3)nn2c1 ZINC000094607631 193384430 /nfs/dbraw/zinc/38/44/30/193384430.db2.gz CJLZZAUVQRXKJK-SECBINFHSA-N 1 0 310.199 1.903 10 0 DDAERO CC[NH+]1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cc2N)CC1 ZINC000020552949 182230840 /nfs/dbraw/zinc/23/08/40/182230840.db2.gz VJGDCONLDNIIGE-NSHDSACASA-N 1 0 310.829 1.887 10 0 DDAERO CC(C)(C)OC(=O)N1CCC([NH2+]CC(=O)NCC(F)F)CC1 ZINC000393702609 307295314 /nfs/dbraw/zinc/29/53/14/307295314.db2.gz RTNNZZZDJPBKSY-UHFFFAOYSA-N 1 0 321.368 1.357 10 0 DDAERO CN(CC1([NH+](C)C)CCC1)c1ccc(S(C)(=O)=O)cc1N ZINC000097926878 193767125 /nfs/dbraw/zinc/76/71/25/193767125.db2.gz YPJKIWGNSIMXMA-UHFFFAOYSA-N 1 0 311.451 1.593 10 0 DDAERO CC(C)([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C(N)=O ZINC000040674869 183116223 /nfs/dbraw/zinc/11/62/23/183116223.db2.gz QDCBVWXOCXSMIR-MRVPVSSYSA-N 1 0 321.204 1.587 10 0 DDAERO Cc1cc(Nc2ncnc(N(C)C3CC[NH+](C)CC3)c2N)no1 ZINC000040681142 183117089 /nfs/dbraw/zinc/11/70/89/183117089.db2.gz REZPICVHZSUCMK-UHFFFAOYSA-N 1 0 317.397 1.629 10 0 DDAERO C[C@@H]1C[C@H](O)CN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000333746972 249091811 /nfs/dbraw/zinc/09/18/11/249091811.db2.gz YLQRCZKEXMFQJF-SYAUCNOPSA-N 1 0 303.406 1.154 10 0 DDAERO [NH3+]C1(C(=O)N2CCN(C(=O)c3cccs3)CC2)CCCC1 ZINC000040854900 183142134 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ZINC000042481057 183275310 /nfs/dbraw/zinc/27/53/10/183275310.db2.gz PWSLXOHKGIQNLC-GFCCVEGCSA-N 1 0 300.424 1.358 10 0 DDAERO CN1CC[C@H]([NH2+]CC(=O)Nc2cccc(Br)c2)C1 ZINC000042547556 183283103 /nfs/dbraw/zinc/28/31/03/183283103.db2.gz QMHFACNHYYPBOU-LBPRGKRZSA-N 1 0 312.211 1.681 10 0 DDAERO CC[NH2+]Cc1c(N(C)CC(=O)NC(C)C)nc2sccn12 ZINC000042609443 183290767 /nfs/dbraw/zinc/29/07/67/183290767.db2.gz ZMIDQQBYHWNZNW-UHFFFAOYSA-N 1 0 309.439 1.466 10 0 DDAERO COC(=O)[C@H](C)CN(C)S(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000042707826 183300353 /nfs/dbraw/zinc/30/03/53/183300353.db2.gz XWLMMRNCQMJXBP-GHMZBOCLSA-N 1 0 314.407 1.136 10 0 DDAERO [NH3+]CCc1ccc(S(=O)(=O)NC[C@H]2CCCCO2)s1 ZINC000042825848 183313010 /nfs/dbraw/zinc/31/30/10/183313010.db2.gz CNLSSWGZWIAGHI-SNVBAGLBSA-N 1 0 304.437 1.097 10 0 DDAERO COCCN(C(=O)CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCSC1 ZINC000043589192 183373960 /nfs/dbraw/zinc/37/39/60/183373960.db2.gz DXLGMESRDLLVIX-UONOGXRCSA-N 1 0 300.468 1.747 10 0 DDAERO 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ZINC000062974953 184263500 /nfs/dbraw/zinc/26/35/00/184263500.db2.gz GARXTSHJTCTRMI-HNNXBMFYSA-N 1 0 309.479 1.553 10 0 DDAERO Nc1ccccc1CS(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062975767 184264008 /nfs/dbraw/zinc/26/40/08/184264008.db2.gz SNJHRKPKJUSGQX-AWEZNQCLSA-N 1 0 309.435 1.269 10 0 DDAERO CCCN(CC[NH+](C)C)Cc1nc2c(cnn2C)c(Cl)n1 ZINC000063077603 184269298 /nfs/dbraw/zinc/26/92/98/184269298.db2.gz LXBRLWAWHRIPKQ-UHFFFAOYSA-N 1 0 310.833 1.790 10 0 DDAERO Cc1cnc(SCc2nc3c(cnn3C)c(NN)[nH+]2)nc1 ZINC000063084370 184269620 /nfs/dbraw/zinc/26/96/20/184269620.db2.gz NWYJCKLLOIXLNI-UHFFFAOYSA-N 1 0 302.367 1.040 10 0 DDAERO CCCN(C1(C[NH3+])CCC(C)CC1)S(=O)(=O)CCOCC ZINC000063153358 184274380 /nfs/dbraw/zinc/27/43/80/184274380.db2.gz FXSPVBXVQQHGNC-UHFFFAOYSA-N 1 0 320.499 1.972 10 0 DDAERO Cc1ccc(N(CCC[NH3+])S(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC000063154832 184274401 /nfs/dbraw/zinc/27/44/01/184274401.db2.gz GIUXOADSHQWAKP-HNNXBMFYSA-N 1 0 312.435 1.659 10 0 DDAERO COCCC[NH2+]CC(=O)Nc1cccc(CCC(=O)N(C)C)c1 ZINC000066068413 184386330 /nfs/dbraw/zinc/38/63/30/184386330.db2.gz OWHZHLPSXONFEV-UHFFFAOYSA-N 1 0 321.421 1.272 10 0 DDAERO CC[C@H](C)[NH2+]CC(=O)Nc1ccc(C(=O)NCCOC)cc1 ZINC000066068167 184386617 /nfs/dbraw/zinc/38/66/17/184386617.db2.gz LWHZLIYUFRJGKS-LBPRGKRZSA-N 1 0 307.394 1.389 10 0 DDAERO CC1CC[NH+](CC(=O)N2CCC[C@@H](Cn3cncn3)C2)CC1 ZINC000119950701 195068330 /nfs/dbraw/zinc/06/83/30/195068330.db2.gz IJEZVQPVAFDABS-OAHLLOKOSA-N 1 0 305.426 1.249 10 0 DDAERO O=S(=O)(c1ccccc1N1CC[C@@]2(CC[NH2+]C2)C1)C(F)F ZINC000261709449 285048882 /nfs/dbraw/zinc/04/88/82/285048882.db2.gz OZPCIEQIKHEDHN-CQSZACIVSA-N 1 0 316.373 1.873 10 0 DDAERO CCC[C@@H](C(=O)NCc1ccc(C(=O)N(C)C)cc1)[NH+](C)C ZINC000156860599 197145640 /nfs/dbraw/zinc/14/56/40/197145640.db2.gz VVLGXQXLNFSNAE-HNNXBMFYSA-N 1 0 305.422 1.735 10 0 DDAERO COC1=C[C@]23CCC[N@@H+]2CCc2cc4c(cc2[C@H]3[C@H]1O)OCO4 ZINC000000899989 256513779 /nfs/dbraw/zinc/51/37/79/256513779.db2.gz 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ZINC000216517282 257132248 /nfs/dbraw/zinc/13/22/48/257132248.db2.gz JQBXFGUZYLZPRF-KKUMJFAQSA-N 1 0 321.483 1.357 10 0 DDAERO C[C@@H]1C[N@H+](C)C[C@]12COCCN(C(=O)Cc1ccccc1)C2 ZINC000253613025 257104413 /nfs/dbraw/zinc/10/44/13/257104413.db2.gz OSEWOEWBJMFAIH-QAPCUYQASA-N 1 0 302.418 1.656 10 0 DDAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(-n2cncn2)cc1 ZINC000123543233 195593609 /nfs/dbraw/zinc/59/36/09/195593609.db2.gz FIFDMVZNKXWMAS-LSDHHAIUSA-N 1 0 315.421 1.639 10 0 DDAERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2ccc(N3CCOCC3)cn2)C1 ZINC000164358984 132152520 /nfs/dbraw/zinc/15/25/20/132152520.db2.gz XWYGMKFQHIVTEJ-OLZOCXBDSA-N 1 0 304.394 1.374 10 0 DDAERO COc1c(C)cc(C)cc1S(=O)(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000262064762 286180198 /nfs/dbraw/zinc/18/01/98/286180198.db2.gz OIQPJNUICMIXTL-QWHCGFSZSA-N 1 0 312.435 1.718 10 0 DDAERO COc1cc(S(=O)(=O)N2CCCC[C@H]2C[NH3+])ccc1F ZINC000193246079 286244491 /nfs/dbraw/zinc/24/44/91/286244491.db2.gz RBOZAPVDFQGFOS-JTQLQIEISA-N 1 0 302.371 1.336 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C12CCOCC2 ZINC000186286947 286278178 /nfs/dbraw/zinc/27/81/78/286278178.db2.gz GGASMAXWCRFTMH-GHMZBOCLSA-N 1 0 324.343 1.229 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH2+]CCCO[C@@H]2CCOC2)C12CCOCC2 ZINC000186383001 286281046 /nfs/dbraw/zinc/28/10/46/286281046.db2.gz RIALJTORDYMLAT-BZUAXINKSA-N 1 0 313.438 1.746 10 0 DDAERO COc1ccc(C)cc1S(=O)(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000234836697 286294168 /nfs/dbraw/zinc/29/41/68/286294168.db2.gz XUMFIRSKTUAHDZ-CHWSQXEVSA-N 1 0 312.435 1.752 10 0 DDAERO CCO[C@@H]1C[C@H]([NH2+]CCCNC(=O)C(C)C)C12CCOCC2 ZINC000186434148 286385671 /nfs/dbraw/zinc/38/56/71/286385671.db2.gz OCNKPPCTRYOZER-LSDHHAIUSA-N 1 0 312.454 1.713 10 0 DDAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CN2CCOCC2)C12CCOCC2 ZINC000186247329 286394841 /nfs/dbraw/zinc/39/48/41/286394841.db2.gz ORKJDRJYLVXETG-HRCADAONSA-N 1 0 312.454 1.271 10 0 DDAERO c1ccc(-c2noc(-c3ccnc(N4CCC[NH2+]CC4)c3)n2)nc1 ZINC000070458210 406816974 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ZINC000065307500 407242291 /nfs/dbraw/zinc/24/22/91/407242291.db2.gz IKVMBJRLUJUMOJ-UHFFFAOYSA-N 1 0 304.438 1.892 10 0 DDAERO C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@H]3CC3(C)C)CC2)nc1 ZINC000123767277 407338169 /nfs/dbraw/zinc/33/81/69/407338169.db2.gz VXTVWGRWUODFRH-OAHLLOKOSA-N 1 0 316.449 1.838 10 0 DDAERO Cc1cnn(CC[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000123979905 407344162 /nfs/dbraw/zinc/34/41/62/407344162.db2.gz XISUFYSLZNTEJF-CYBMUJFWSA-N 1 0 307.419 1.946 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000123623953 407335140 /nfs/dbraw/zinc/33/51/40/407335140.db2.gz CSAFHBBDVPLHGT-KRWDZBQOSA-N 1 0 314.433 1.965 10 0 DDAERO COC(=O)CNC(=O)CC[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000111211417 407400501 /nfs/dbraw/zinc/40/05/01/407400501.db2.gz KBCPFOFTKMRMOU-LLVKDONJSA-N 1 0 311.407 1.349 10 0 DDAERO COCC[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCCC1=O ZINC000111682778 407414566 /nfs/dbraw/zinc/41/45/66/407414566.db2.gz PIZVZPFZXUNVNN-INIZCTEOSA-N 1 0 306.406 1.118 10 0 DDAERO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000112066337 407420990 /nfs/dbraw/zinc/42/09/90/407420990.db2.gz HGIRMQAVCQUGRB-HOTGVXAUSA-N 1 0 320.437 1.293 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCc2cccc(C(N)=O)c2)C1 ZINC000170685660 407475357 /nfs/dbraw/zinc/47/53/57/407475357.db2.gz XJQBIZPZSHMPPH-OAHLLOKOSA-N 1 0 318.421 1.112 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(Cl)cc1 ZINC000113226129 407477817 /nfs/dbraw/zinc/47/78/17/407477817.db2.gz PYULBBZSIOILNA-SMDDNHRTSA-N 1 0 321.808 1.974 10 0 DDAERO C[C@H](CNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)[N@H+](C)C1CC1 ZINC000151758690 407493338 /nfs/dbraw/zinc/49/33/38/407493338.db2.gz HCVKOLMELAQEHY-CKEIUWERSA-N 1 0 309.454 1.806 10 0 DDAERO CC(C)CCOCCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000185775087 407500268 /nfs/dbraw/zinc/50/02/68/407500268.db2.gz YLFZVFFHLDEWMS-HUUCEWRRSA-N 1 0 315.458 1.146 10 0 DDAERO COc1ccc(C)cc1S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000195252702 407445264 /nfs/dbraw/zinc/44/52/64/407445264.db2.gz JGGDKMJBJKMGIY-UONOGXRCSA-N 1 0 324.446 1.861 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCOC[C@@H]1CCCO1 ZINC000253549238 407458975 /nfs/dbraw/zinc/45/89/75/407458975.db2.gz PLBIBVJCQTYGDC-PMPSAXMXSA-N 1 0 310.438 1.657 10 0 DDAERO Cc1cc(C)n(-c2ccc(NC(=O)C3([NH3+])CCOCC3)cn2)n1 ZINC000261665628 407572578 /nfs/dbraw/zinc/57/25/78/407572578.db2.gz BLSZXTUXGGTHMT-UHFFFAOYSA-N 1 0 315.377 1.331 10 0 DDAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cc(OC(F)F)n(C)n2)[C@@H](C)C1 ZINC000185831452 407514142 /nfs/dbraw/zinc/51/41/42/407514142.db2.gz MIAOPQOQCXRRQA-ONGXEEELSA-N 1 0 316.352 1.480 10 0 DDAERO CC(C)(C)OC[C@H](O)C[NH2+][C@H](CC(N)=O)C1CCCCC1 ZINC000181983204 306701466 /nfs/dbraw/zinc/70/14/66/306701466.db2.gz RZZIAHFCYYNDGW-ZIAGYGMSSA-N 1 0 300.443 1.576 10 0 DDAERO CO[C@H](C)c1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170843808 407528631 /nfs/dbraw/zinc/52/86/31/407528631.db2.gz HKMVUJMAMAXZCH-IUODEOHRSA-N 1 0 319.405 1.495 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)C1 ZINC000170855059 407531654 /nfs/dbraw/zinc/53/16/54/407531654.db2.gz CZBDNDLFXNLSAM-CQSZACIVSA-N 1 0 302.353 1.788 10 0 DDAERO COc1ccc(CCNC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1OC ZINC000170861943 407534579 /nfs/dbraw/zinc/53/45/79/407534579.db2.gz APZZTJHLMHMGII-CQSZACIVSA-N 1 0 321.421 1.592 10 0 DDAERO C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)C[C@H]1[NH3+] ZINC000261552102 407540675 /nfs/dbraw/zinc/54/06/75/407540675.db2.gz ZXQPSEVKMKBDSX-OIBJUYFYSA-N 1 0 309.218 1.961 10 0 DDAERO C[C@H]1CC[C@@H](C(=O)NCc2cccc(OCC[NH+](C)C)c2)O1 ZINC000152004515 407544171 /nfs/dbraw/zinc/54/41/71/407544171.db2.gz WGWKEYKUIULPNK-BBRMVZONSA-N 1 0 306.406 1.811 10 0 DDAERO c1ncn(C[C@H]2CCC[N@H+](Cc3cccc4c3OCO4)C2)n1 ZINC000128561015 407546915 /nfs/dbraw/zinc/54/69/15/407546915.db2.gz JUMAPLZHZLKYJI-ZDUSSCGKSA-N 1 0 300.362 1.919 10 0 DDAERO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261798812 407620402 /nfs/dbraw/zinc/62/04/02/407620402.db2.gz OAOQRUOCOSENSN-OAHLLOKOSA-N 1 0 319.405 1.112 10 0 DDAERO C[C@H](NC(=O)C1([NH3+])CCOCC1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000261804907 407622353 /nfs/dbraw/zinc/62/23/53/407622353.db2.gz JCSGQVJQVHZDEF-TYNCELHUSA-N 1 0 304.390 1.564 10 0 DDAERO COCCN1CCN(C(=O)c2ccc(N(C)C)cc2F)C[C@@H]1C ZINC000152377637 407624907 /nfs/dbraw/zinc/62/49/07/407624907.db2.gz GOJOUZDVKPCUGX-ZDUSSCGKSA-N 1 0 323.412 1.684 10 0 DDAERO CN(C(=O)C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)C1CCCCC1 ZINC000261839804 407635629 /nfs/dbraw/zinc/63/56/29/407635629.db2.gz AIEDLYKKOOCDGE-BRWVUGGUSA-N 1 0 323.481 1.524 10 0 DDAERO CCc1ncc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)cn1 ZINC000130303799 407673641 /nfs/dbraw/zinc/67/36/41/407673641.db2.gz DYXXNUUFRIEMQZ-GFCCVEGCSA-N 1 0 321.425 1.070 10 0 DDAERO COc1ccc(CN(C)C(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171641477 407729843 /nfs/dbraw/zinc/72/98/43/407729843.db2.gz QTOAYCRSWABRAD-MRXNPFEDSA-N 1 0 317.433 1.434 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(F)cc3c2OCOC3)C[C@H]1C ZINC000171562934 407704664 /nfs/dbraw/zinc/70/46/64/407704664.db2.gz WDWQNBWROMEFRW-CHWSQXEVSA-N 1 0 324.396 1.579 10 0 DDAERO CN(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)Cc1ccccc1 ZINC000262048443 407724036 /nfs/dbraw/zinc/72/40/36/407724036.db2.gz ZIWQYBNBJRHJGG-IPMKNSEASA-N 1 0 317.477 1.865 10 0 DDAERO CSCC[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000171634475 407726290 /nfs/dbraw/zinc/72/62/90/407726290.db2.gz KSZKFCFJOPMIDS-OAHLLOKOSA-N 1 0 310.463 1.407 10 0 DDAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000171347380 407663385 /nfs/dbraw/zinc/66/33/85/407663385.db2.gz CXUXHVNFYNJLQW-JKSUJKDBSA-N 1 0 320.433 1.726 10 0 DDAERO COc1cccc(O[C@@H](C)CNC(=O)C2([NH3+])CCOCC2)c1 ZINC000261900649 407664003 /nfs/dbraw/zinc/66/40/03/407664003.db2.gz RPMWORQIWPHHPX-LBPRGKRZSA-N 1 0 308.378 1.087 10 0 DDAERO CC(C)S(=O)(=O)CC(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262188435 407759870 /nfs/dbraw/zinc/75/98/70/407759870.db2.gz JKESDYCRIZFBTL-CABCVRRESA-N 1 0 324.446 1.011 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(-c3cccnc3)on2)CCO1 ZINC000116795645 407780650 /nfs/dbraw/zinc/78/06/50/407780650.db2.gz XZRYBRPIWHEOSJ-CYBMUJFWSA-N 1 0 316.361 1.139 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000262271322 407782378 /nfs/dbraw/zinc/78/23/78/407782378.db2.gz KKJGEASJXOPUIZ-OLZOCXBDSA-N 1 0 322.796 1.253 10 0 DDAERO CC(=O)Nc1cc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)ccc1F ZINC000116788945 407777342 /nfs/dbraw/zinc/77/73/42/407777342.db2.gz JRLCJOHGAIQOPR-ZDUSSCGKSA-N 1 0 323.368 1.187 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)c2csc(-c3ccoc3)n2)CCO1 ZINC000116795012 407779730 /nfs/dbraw/zinc/77/97/30/407779730.db2.gz SBEDMUPSRAKCEZ-LBPRGKRZSA-N 1 0 321.402 1.806 10 0 DDAERO COC[C@H]([NH3+])C(=O)NCCc1ccc(F)c(Br)c1 ZINC000262339662 407803085 /nfs/dbraw/zinc/80/30/85/407803085.db2.gz SOVUMQQNXJQZQE-NSHDSACASA-N 1 0 319.174 1.221 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)c2cc3ccccc3cc2O)CCO1 ZINC000116978167 407803765 /nfs/dbraw/zinc/80/37/65/407803765.db2.gz LWPMDNHPBLBZAO-HNNXBMFYSA-N 1 0 314.385 1.948 10 0 DDAERO C[C@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)Oc1ccccc1 ZINC000117050789 407810465 /nfs/dbraw/zinc/81/04/65/407810465.db2.gz KGSHADQWBPJRPW-GDBMZVCRSA-N 1 0 321.421 1.426 10 0 DDAERO Cc1nc2n(n1)CCC[C@@H]2NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262361877 407811135 /nfs/dbraw/zinc/81/11/35/407811135.db2.gz VQIKTJOTXIUQCS-HKGGGCDWSA-N 1 0 317.437 1.691 10 0 DDAERO C[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)C(=O)N1CCCCC1 ZINC000153408715 407819954 /nfs/dbraw/zinc/81/99/54/407819954.db2.gz KLDIVJSYVZYEBW-QLFBSQMISA-N 1 0 322.453 1.266 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)CCO1 ZINC000172306532 407820267 /nfs/dbraw/zinc/82/02/67/407820267.db2.gz HHNZRBJBQBNQAX-AWEZNQCLSA-N 1 0 320.389 1.251 10 0 DDAERO C[C@H]1OCCN[C@@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000262400500 407826688 /nfs/dbraw/zinc/82/66/88/407826688.db2.gz YNGDMGPMMAWTKR-CJNGLKHVSA-N 1 0 309.454 1.277 10 0 DDAERO COC[C@@H](C)C[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000187237251 407834379 /nfs/dbraw/zinc/83/43/79/407834379.db2.gz VTRIIYDIQNWQQZ-DLBZAZTESA-N 1 0 322.449 1.326 10 0 DDAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000262563118 407868569 /nfs/dbraw/zinc/86/85/69/407868569.db2.gz ARLBIIJATHKJOG-STQMWFEESA-N 1 0 304.394 1.312 10 0 DDAERO Cc1cnn(CCCCC[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173952305 407908665 /nfs/dbraw/zinc/90/86/65/407908665.db2.gz ARYVEMXDTWCMPS-QGZVFWFLSA-N 1 0 306.454 1.768 10 0 DDAERO C[C@H]1CC[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)O1 ZINC000153565097 407850168 /nfs/dbraw/zinc/85/01/68/407850168.db2.gz ZHBCCJTWKLPGPB-BBRMVZONSA-N 1 0 306.406 1.850 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000118856892 407953380 /nfs/dbraw/zinc/95/33/80/407953380.db2.gz ZKGGPEIVYOEQBD-SFHVURJKSA-N 1 0 314.433 1.761 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)CSC[C@H]2CCCCO2)C1 ZINC000245402595 407964332 /nfs/dbraw/zinc/96/43/32/407964332.db2.gz IPZKMDHRYYKQIV-UONOGXRCSA-N 1 0 300.468 1.889 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(CCOc2ccccc2OC)CC1 ZINC000174083028 407913952 /nfs/dbraw/zinc/91/39/52/407913952.db2.gz UQIIDYQXBJIRCD-HNNXBMFYSA-N 1 0 308.422 1.463 10 0 DDAERO O=C(NCCc1cccc(O)c1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262804147 407939091 /nfs/dbraw/zinc/93/90/91/407939091.db2.gz PMMCOHCSCSMSLS-CQSZACIVSA-N 1 0 314.389 1.486 10 0 DDAERO CC[C@H]1CN(C(=O)NCC2(OC)CCC2)CC[N@@H+]1CCOC ZINC000181808114 408042179 /nfs/dbraw/zinc/04/21/79/408042179.db2.gz QWGSUCUKQUMNKV-AWEZNQCLSA-N 1 0 313.442 1.308 10 0 DDAERO CO[C@@H](C)c1nc(C)c(-c2nc([C@H]3C[NH2+]CCN3C)no2)s1 ZINC000263187828 408051239 /nfs/dbraw/zinc/05/12/39/408051239.db2.gz HOEVVKALUBLXBY-VHSXEESVSA-N 1 0 323.422 1.785 10 0 DDAERO O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CC(F)(F)CN1 ZINC000262964293 407985213 /nfs/dbraw/zinc/98/52/13/407985213.db2.gz LAJYZMLODOGDAE-AWEZNQCLSA-N 1 0 324.375 1.159 10 0 DDAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1cc(F)ccc1Br ZINC000263212680 408059243 /nfs/dbraw/zinc/05/92/43/408059243.db2.gz 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CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C2CC(C(N)=O)C2)C1 ZINC000714243156 699269801 /nfs/dbraw/zinc/26/98/01/699269801.db2.gz RPRNLUOJYDHFJB-PNESKVBLSA-N 1 0 311.426 1.487 10 0 DDAERO O=C(NCc1ncc(Br)s1)[C@H]1CCC[NH2+]C1 ZINC000714945496 699273022 /nfs/dbraw/zinc/27/30/22/699273022.db2.gz YBVKUHPBTNBWOD-ZETCQYMHSA-N 1 0 304.213 1.521 10 0 DDAERO Cc1nc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)sc1Br ZINC000719257215 699299693 /nfs/dbraw/zinc/29/96/93/699299693.db2.gz NHZKELGIMPKAMG-HTRCEHHLSA-N 1 0 318.240 1.971 10 0 DDAERO O=C(N[C@H](CO)c1ccc(Cl)cc1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897329595 708293749 /nfs/dbraw/zinc/29/37/49/708293749.db2.gz PLBLDEVQKLTGJQ-LSDHHAIUSA-N 1 0 324.808 1.210 10 0 DDAERO Cc1noc(C[C@]2(O)CCC[N@H+](Cc3cccc(C)n3)C2)n1 ZINC000886091683 708696327 /nfs/dbraw/zinc/69/63/27/708696327.db2.gz IVPAITGAWUOBQA-MRXNPFEDSA-N 1 0 302.378 1.651 10 0 DDAERO COC[C@@H]([NH2+]C[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1)C(C)C ZINC000886094917 708697228 /nfs/dbraw/zinc/69/72/28/708697228.db2.gz 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ZINC000248495583 282087573 /nfs/dbraw/zinc/08/75/73/282087573.db2.gz QJNQXYSMLRTLHF-GOEBONIOSA-N 1 0 309.454 1.973 10 0 DDAERO COc1ccc([C@H](C)[NH3+])cc1CSCCS(C)(=O)=O ZINC000081768944 192322478 /nfs/dbraw/zinc/32/24/78/192322478.db2.gz FWCNLJADISGUDQ-JTQLQIEISA-N 1 0 303.449 1.993 10 0 DDAERO CC[NH2+][C@@H]1c2ccccc2OC[C@@H]1SCCS(C)(=O)=O ZINC000081768600 192322515 /nfs/dbraw/zinc/32/25/15/192322515.db2.gz VDBYSEOVXYNJLU-UONOGXRCSA-N 1 0 315.460 1.876 10 0 DDAERO COCCCN1CC2(CC1=O)CC[NH+](Cc1cncnc1)CC2 ZINC000095508126 185375743 /nfs/dbraw/zinc/37/57/43/185375743.db2.gz CRORAPBFPSAYDW-UHFFFAOYSA-N 1 0 318.421 1.328 10 0 DDAERO CC[C@@H]1CN(C(=O)c2c[nH]nc2C(C)C)CC[N@@H+]1C[C@H](C)O ZINC000248842976 282111066 /nfs/dbraw/zinc/11/10/66/282111066.db2.gz RTOYUSFJAQPSGT-QWHCGFSZSA-N 1 0 308.426 1.450 10 0 DDAERO CC[NH2+][C@@H]1c2ccccc2CC[C@H]1Sc1n[nH]c(=O)n1C ZINC000081880651 192334327 /nfs/dbraw/zinc/33/43/27/192334327.db2.gz BNDYRSKTGOQMLC-CHWSQXEVSA-N 1 0 304.419 1.866 10 0 DDAERO CC[NH2+][C@@H]1CCC2(C[C@@H]1Sc1nnc(C)n1C)OCCO2 ZINC000081886103 192334655 /nfs/dbraw/zinc/33/46/55/192334655.db2.gz ZPYIYARVZBXMDH-NEPJUHHUSA-N 1 0 312.439 1.489 10 0 DDAERO C[C@@H]1CCC[C@H](NC(=O)NC[C@H](O)C[NH+]2CCCCC2)[C@H]1C ZINC000248874650 282113869 /nfs/dbraw/zinc/11/38/69/282113869.db2.gz MMUJIIFSVJYPPP-UGUYLWEFSA-N 1 0 311.470 1.957 10 0 DDAERO CC(C)CS(=O)(=O)C[C@@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000081929021 192341220 /nfs/dbraw/zinc/34/12/20/192341220.db2.gz WADMKFGTQIIGDZ-CYBMUJFWSA-N 1 0 313.419 1.919 10 0 DDAERO CCCS(=O)(=O)C[C@@H]([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000081939703 192343215 /nfs/dbraw/zinc/34/32/15/192343215.db2.gz LOPCRRAQZXRWDL-GFCCVEGCSA-N 1 0 301.408 1.789 10 0 DDAERO CCC[C@H](CC[NH3+])CCC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000079238174 185162206 /nfs/dbraw/zinc/16/22/06/185162206.db2.gz KPMHSYVHCNQUMG-KBPBESRZSA-N 1 0 318.483 1.567 10 0 DDAERO NC(=O)[C@@]([NH3+])(CSc1ccc(Br)cn1)C1CC1 ZINC000079447349 185172052 /nfs/dbraw/zinc/17/20/52/185172052.db2.gz ZQSYUIBHRVPJNW-LLVKDONJSA-N 1 0 316.224 1.529 10 0 DDAERO C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]1)c1ccc(S(C)(=O)=O)cc1 ZINC000079520108 185173768 /nfs/dbraw/zinc/17/37/68/185173768.db2.gz VGUOZSOBJAXRGE-IAQYHMDHSA-N 1 0 310.419 1.409 10 0 DDAERO CN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000082348467 185176862 /nfs/dbraw/zinc/17/68/62/185176862.db2.gz VTXLHWGQWUSDFH-HNNXBMFYSA-N 1 0 308.447 1.938 10 0 DDAERO CC[NH2+][C@@H]1CCCCCC[C@@H]1S(=O)(=O)CC(=O)OCC ZINC000081977555 192347395 /nfs/dbraw/zinc/34/73/95/192347395.db2.gz NEOVLXMCGXVCAV-OLZOCXBDSA-N 1 0 305.440 1.665 10 0 DDAERO [NH3+][C@@H](c1ccc(Br)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000082998692 185210676 /nfs/dbraw/zinc/21/06/76/185210676.db2.gz UQWNZAJYAADXLF-HZGVNTEJSA-N 1 0 310.238 1.945 10 0 DDAERO [NH3+][C@@H](Cc1ccc(Br)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000083185309 185216847 /nfs/dbraw/zinc/21/68/47/185216847.db2.gz IGQOAOWOYWJDAW-APPZFPTMSA-N 1 0 324.265 1.815 10 0 DDAERO CCc1nn(C)cc1C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000092390333 539176243 /nfs/dbraw/zinc/17/62/43/539176243.db2.gz XYIYXTVAAVNXBN-AWEZNQCLSA-N 1 0 300.410 1.531 10 0 DDAERO CCC[C@H](C[NH3+])NS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000087403828 185223721 /nfs/dbraw/zinc/22/37/21/185223721.db2.gz ARFZLCSUOSKISH-LLVKDONJSA-N 1 0 314.407 1.254 10 0 DDAERO COC(=O)c1ccc(C)c(S(=O)(=O)N[C@@H](C[NH3+])C(C)C)c1 ZINC000087404993 185224122 /nfs/dbraw/zinc/22/41/22/185224122.db2.gz JHUIVYFVZIDQLD-LBPRGKRZSA-N 1 0 314.407 1.043 10 0 DDAERO CCC[C@H](C[NH3+])C(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000087519539 185227373 /nfs/dbraw/zinc/22/73/73/185227373.db2.gz DPRSOYVAAABLBU-SECBINFHSA-N 1 0 302.371 1.543 10 0 DDAERO Brc1csc(C[NH2+]CC[C@@H]2COCCN2)c1 ZINC000087511052 185227378 /nfs/dbraw/zinc/22/73/78/185227378.db2.gz FQDXCXNUHINJEP-SNVBAGLBSA-N 1 0 305.241 1.979 10 0 DDAERO CCOC(=O)[C@H]1CSCCN1C(=O)C(C)(C)C(C)(C)[NH3+] ZINC000087627936 185229650 /nfs/dbraw/zinc/22/96/50/185229650.db2.gz ZBKZCDGDUWAPMV-SNVBAGLBSA-N 1 0 302.440 1.257 10 0 DDAERO CNS(=O)(=O)c1ccc(NC(=O)C(C)(C)C(C)(C)[NH3+])cc1 ZINC000087627669 185229658 /nfs/dbraw/zinc/22/96/58/185229658.db2.gz UCPSMACSGKVBIZ-UHFFFAOYSA-N 1 0 313.423 1.297 10 0 DDAERO Ic1cncnc1NC[C@H]1CC[NH2+]C1 ZINC000087655218 185229708 /nfs/dbraw/zinc/22/97/08/185229708.db2.gz VUQVJPKCXJKZDE-ZETCQYMHSA-N 1 0 304.135 1.103 10 0 DDAERO CCC[NH2+]C[C@H](C)Cc1c(C)nc(CS(C)(=O)=O)nc1C ZINC000087707321 185230655 /nfs/dbraw/zinc/23/06/55/185230655.db2.gz LKUFCHJUBKWXRX-LLVKDONJSA-N 1 0 313.467 1.816 10 0 DDAERO Cc1nn(C)c(C[S@@](=O)[C@@H](C)CC[NH3+])c1Br ZINC000088087921 185239494 /nfs/dbraw/zinc/23/94/94/185239494.db2.gz MDYGGZKTIRXEQP-GYKQLYQFSA-N 1 0 308.245 1.477 10 0 DDAERO [NH3+]C[C@]1(Nc2cccc(Br)c2)CCS(=O)(=O)C1 ZINC000087915263 185237349 /nfs/dbraw/zinc/23/73/49/185237349.db2.gz FWUFDEARVAIJSG-LLVKDONJSA-N 1 0 319.224 1.377 10 0 DDAERO CC[C@H]([NH3+])C[S@](=O)Cc1c(Br)c(C)nn1C ZINC000088074325 185238871 /nfs/dbraw/zinc/23/88/71/185238871.db2.gz SZFYPOXWLOLORU-ZKANADHPSA-N 1 0 308.245 1.477 10 0 DDAERO CC[NH2+][C@H](CS(=O)(=O)CC(=O)OC)c1ccc(C)cc1C ZINC000081976404 192348042 /nfs/dbraw/zinc/34/80/42/192348042.db2.gz GWYDCNCCLVPAGN-CQSZACIVSA-N 1 0 313.419 1.542 10 0 DDAERO [NH3+][C@]1(C(=O)Nc2c(F)cc(Br)cc2F)CCOC1 ZINC000088168518 185240966 /nfs/dbraw/zinc/24/09/66/185240966.db2.gz HMTVRZVYAAXEOD-LLVKDONJSA-N 1 0 321.121 1.784 10 0 DDAERO C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2)CS(C)(=O)=O ZINC000181747886 539238407 /nfs/dbraw/zinc/23/84/07/539238407.db2.gz LRVVUJVVNIUIDJ-NEPJUHHUSA-N 1 0 313.419 1.789 10 0 DDAERO COCCN(C(=O)C[C@@H](C[NH3+])CC(C)C)[C@@H]1CCSC1 ZINC000088277222 185244649 /nfs/dbraw/zinc/24/46/49/185244649.db2.gz RNJJNIMKBGVZSB-UONOGXRCSA-N 1 0 302.484 1.978 10 0 DDAERO CCOC(=O)[C@H]1CSCCN1C(=O)C[C@H](C[NH3+])CC(C)C ZINC000088277091 185244731 /nfs/dbraw/zinc/24/47/31/185244731.db2.gz CLFUUFPWVHZDTQ-CHWSQXEVSA-N 1 0 316.467 1.505 10 0 DDAERO CCc1ccc([C@H](COC)[NH2+]C[C@@H](O)CN2CCCC2=O)o1 ZINC000184840948 539245008 /nfs/dbraw/zinc/24/50/08/539245008.db2.gz ZYBOAQQUXRRVNV-OCCSQVGLSA-N 1 0 310.394 1.102 10 0 DDAERO Cc1nccn1-c1cncc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)n1 ZINC000330323993 282199742 /nfs/dbraw/zinc/19/97/42/282199742.db2.gz TYKIMBASJFRAGM-HUUCEWRRSA-N 1 0 312.421 1.891 10 0 DDAERO CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1S(=O)(=O)CCC(=O)OC ZINC000081975344 192348317 /nfs/dbraw/zinc/34/83/17/192348317.db2.gz QFKONQCWWIJQOY-IHRRRGAJSA-N 1 0 319.467 1.767 10 0 DDAERO COC(=O)CCS(=O)(=O)[C@@H]1CCCc2ccccc2[C@@H]1[NH3+] ZINC000081974815 192348485 /nfs/dbraw/zinc/34/84/85/192348485.db2.gz FSTNLMCMLQMKFN-HIFRSBDPSA-N 1 0 311.403 1.369 10 0 DDAERO COc1ccc(OCC[C@H](C[NH3+])[C@H]2CCS(=O)(=O)C2)cc1 ZINC000088414488 185249189 /nfs/dbraw/zinc/24/91/89/185249189.db2.gz ZWIYWLIAXPSAOL-OLZOCXBDSA-N 1 0 313.419 1.474 10 0 DDAERO CC[NH2+][C@](C)(C[C@@H](C)N1CCC[C@H](C(F)(F)F)C1)C(N)=O ZINC000088435313 185250263 /nfs/dbraw/zinc/25/02/63/185250263.db2.gz DSUSTVKEDCHNKK-NTZNESFSSA-N 1 0 309.376 1.893 10 0 DDAERO COCCN(C)S(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000088544391 185256628 /nfs/dbraw/zinc/25/66/28/185256628.db2.gz VCFOUMDALCMMLV-UHFFFAOYSA-N 1 0 304.412 1.292 10 0 DDAERO CC[NH2+][C@@H](CS(=O)(=O)CCCOC)c1cccc(OC)c1 ZINC000081985797 192348885 /nfs/dbraw/zinc/34/88/85/192348885.db2.gz FIDZYVJKOCSCMP-HNNXBMFYSA-N 1 0 315.435 1.797 10 0 DDAERO CCOC(=O)[C@@H]1C[NH2+]CCN1Cc1ccc(Cl)c(F)c1 ZINC000088658102 185261865 /nfs/dbraw/zinc/26/18/65/185261865.db2.gz GFYVSMCJGAPSRX-ZDUSSCGKSA-N 1 0 300.761 1.816 10 0 DDAERO O=S(=O)(C[C@H]1CCCC[NH2+]1)Nc1c(F)cc(F)cc1F ZINC000088722868 185263413 /nfs/dbraw/zinc/26/34/13/185263413.db2.gz JUCPUCIRFHIMPJ-SECBINFHSA-N 1 0 308.325 1.988 10 0 DDAERO CCOC(=O)CS(=O)(=O)[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH2+]C ZINC000082010005 192353576 /nfs/dbraw/zinc/35/35/76/192353576.db2.gz MAFRROCPZAWLKY-AGIUHOORSA-N 1 0 319.467 1.767 10 0 DDAERO CCCN(C(=O)c1cc(Br)cn1C)C1C[NH2+]C1 ZINC000090292973 185289548 /nfs/dbraw/zinc/28/95/48/185289548.db2.gz HBXQSHOLISCGEJ-UHFFFAOYSA-N 1 0 300.200 1.612 10 0 DDAERO COc1ccc(Cl)cc1C(=O)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308891 185290436 /nfs/dbraw/zinc/29/04/36/185290436.db2.gz YENIDRHDUQGYMA-UHFFFAOYSA-N 1 0 309.797 1.078 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NS(=O)(=O)c1cccc(Cl)c1 ZINC000090312923 185290726 /nfs/dbraw/zinc/29/07/26/185290726.db2.gz SEZNBHVHLBCHIN-UTUOFQBUSA-N 1 0 304.799 1.123 10 0 DDAERO Cc1cccc(C[S@](=O)[C@H]2CC3(CC[C@@H]2[NH3+])OCCO3)c1 ZINC000081996705 192352535 /nfs/dbraw/zinc/35/25/35/192352535.db2.gz NYBJIKHTBNMNJQ-VFCRVFHLSA-N 1 0 309.431 1.867 10 0 DDAERO COc1ccc([C@@H](C)[NH3+])cc1C[S@@](=O)CCS(C)(=O)=O ZINC000081992026 192352558 /nfs/dbraw/zinc/35/25/58/192352558.db2.gz JNOBYNRQJLASJZ-GIGQVBGESA-N 1 0 319.448 1.008 10 0 DDAERO O=S(=O)(c1cccc(Cl)c1F)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090322117 185290918 /nfs/dbraw/zinc/29/09/18/185290918.db2.gz HSLFPRDVGNEVEY-IUCAKERBSA-N 1 0 304.774 1.319 10 0 DDAERO CN(Cc1ccc(Br)cc1)C(=O)[C@@H]1COC[C@H]1[NH3+] ZINC000090381712 185293564 /nfs/dbraw/zinc/29/35/64/185293564.db2.gz JZKHWABBOJBTNW-VXGBXAGGSA-N 1 0 313.195 1.381 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(Br)c(C)c1 ZINC000090431574 185295884 /nfs/dbraw/zinc/29/58/84/185295884.db2.gz ACXNVNNSDNQPHW-ZYHUDNBSSA-N 1 0 313.195 1.930 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000090431628 185295966 /nfs/dbraw/zinc/29/59/66/185295966.db2.gz WTAMLTAHVISWRU-WDEREUQCSA-N 1 0 304.268 1.758 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000090432861 185296150 /nfs/dbraw/zinc/29/61/50/185296150.db2.gz KBTNHPHBNKZHJE-KCJUWKMLSA-N 1 0 312.753 1.284 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cc(Cl)ccc1C(=O)OC ZINC000090432955 185296317 /nfs/dbraw/zinc/29/63/17/185296317.db2.gz KPVMOFVYCNRSGG-JQWIXIFHSA-N 1 0 312.753 1.300 10 0 DDAERO COCCC[S@@](=O)C[C@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000081999109 192353701 /nfs/dbraw/zinc/35/37/01/192353701.db2.gz XABTZMCJEGIYJG-YUNKPMOVSA-N 1 0 301.408 1.489 10 0 DDAERO C[NH+](C)C[C@H]1CSCCCN1C(=O)COc1ccccc1 ZINC000090699919 185310478 /nfs/dbraw/zinc/31/04/78/185310478.db2.gz LXRLQDIDHZSZAB-AWEZNQCLSA-N 1 0 308.447 1.961 10 0 DDAERO COCCCS(=O)(=O)[C@H]1CCc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092388722 185315377 /nfs/dbraw/zinc/31/53/77/185315377.db2.gz OGODUDMNASTJDS-GJZGRUSLSA-N 1 0 313.419 1.461 10 0 DDAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@H](SCCS(C)(=O)=O)CC2 ZINC000092389247 185315718 /nfs/dbraw/zinc/31/57/18/185315718.db2.gz KXPLXSDSVHNTIT-ZIAGYGMSSA-N 1 0 315.460 1.788 10 0 DDAERO CCc1nn([C@@]2(C)CCS(=O)(=O)C2)c(CC)c1CC[NH2+]C ZINC000092321848 185312270 /nfs/dbraw/zinc/31/22/70/185312270.db2.gz RIZADEZAMZXMHE-HNNXBMFYSA-N 1 0 313.467 1.304 10 0 DDAERO CCC[NH2+]CCCc1c(C)nn(CCS(C)(=O)=O)c1C ZINC000092323499 185312318 /nfs/dbraw/zinc/31/23/18/185312318.db2.gz XGWDDYKYUBVVFK-UHFFFAOYSA-N 1 0 301.456 1.477 10 0 DDAERO CCC[NH2+]CCc1c(C)nn([C@@]2(C)CCS(=O)(=O)C2)c1C ZINC000092321860 185312356 /nfs/dbraw/zinc/31/23/56/185312356.db2.gz MMESYHSQCMJOME-HNNXBMFYSA-N 1 0 313.467 1.576 10 0 DDAERO Cc1noc(C)c1[C@H](C)NS(=O)(=O)c1ccc(C[NH3+])s1 ZINC000092339880 185312888 /nfs/dbraw/zinc/31/28/88/185312888.db2.gz YIIUHJHYCUEKSV-QMMMGPOBSA-N 1 0 315.420 1.851 10 0 DDAERO CC(C)(C[NH3+])[C@@H](O)c1ncc(I)s1 ZINC000307554292 539294042 /nfs/dbraw/zinc/29/40/42/539294042.db2.gz MFGSORSTXISTEG-LURJTMIESA-N 1 0 312.176 1.766 10 0 DDAERO [NH3+]C1CCN(CC(=O)Nc2cc3c(cc2Cl)OCO3)CC1 ZINC000092713824 185335891 /nfs/dbraw/zinc/33/58/91/185335891.db2.gz NXPFCQIUFJSZEG-UHFFFAOYSA-N 1 0 311.769 1.430 10 0 DDAERO CCC[NH2+]CC1CCN(S(=O)(=O)c2cn(CC)cn2)CC1 ZINC000092910949 185348714 /nfs/dbraw/zinc/34/87/14/185348714.db2.gz QKMMCZBXZBSHCB-UHFFFAOYSA-N 1 0 314.455 1.303 10 0 DDAERO CCc1ccnc(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000181485193 199305109 /nfs/dbraw/zinc/30/51/09/199305109.db2.gz TVJPJELIYVKHAU-AWEZNQCLSA-N 1 0 319.449 1.809 10 0 DDAERO CCCn1cc(S(=O)(=O)N[C@@H](C[NH3+])CC(C)C)nc1C ZINC000111372979 185589578 /nfs/dbraw/zinc/58/95/78/185589578.db2.gz QVLJCOLGALQBJG-GFCCVEGCSA-N 1 0 302.444 1.253 10 0 DDAERO CNS(=O)(=O)c1ccc(N(CC[NH3+])C2CCCCC2)cc1 ZINC000111374450 185590180 /nfs/dbraw/zinc/59/01/80/185590180.db2.gz BFZXUHKWLQXOLR-UHFFFAOYSA-N 1 0 311.451 1.693 10 0 DDAERO CC[NH2+]C[C@@H]1CCCN(S(=O)(=O)CCc2ccccn2)C1 ZINC000111719286 185630661 /nfs/dbraw/zinc/63/06/61/185630661.db2.gz SCDVSFJLYOKMRS-AWEZNQCLSA-N 1 0 311.451 1.275 10 0 DDAERO COC[C@H](O)COc1ccc(Br)cc1[C@H](C)[NH3+] ZINC000069053794 190795010 /nfs/dbraw/zinc/79/50/10/190795010.db2.gz HXYSJKUJDUQWBR-WPRPVWTQSA-N 1 0 304.184 1.855 10 0 DDAERO CCCCS(=O)(=O)N1CC[C@@H]([NH3+])[C@H](C(F)(F)F)CC1 ZINC000725262741 539570119 /nfs/dbraw/zinc/57/01/19/539570119.db2.gz OJBKPTWOXAONEW-NXEZZACHSA-N 1 0 302.362 1.718 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCC(=O)OCc1ccccc1 ZINC000126648353 185881049 /nfs/dbraw/zinc/88/10/49/185881049.db2.gz SWANFGQRXIVGMO-AWEZNQCLSA-N 1 0 321.421 1.759 10 0 DDAERO CCCn1cc(S(=O)(=O)N2C[C@@H](C[NH3+])CC[C@@H]2C)nc1C ZINC000070181240 190868588 /nfs/dbraw/zinc/86/85/88/190868588.db2.gz CTEWDSHRBXGMJN-WCQYABFASA-N 1 0 314.455 1.349 10 0 DDAERO C[C@H]1CCC[C@@H](C[NH3+])N1Cc1csc(CC(=O)N(C)C)n1 ZINC000070156157 190863542 /nfs/dbraw/zinc/86/35/42/190863542.db2.gz OHWWRHBBHXDEGU-AAEUAGOBSA-N 1 0 310.467 1.476 10 0 DDAERO Cn1cc(Br)cc1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000070170155 190866059 /nfs/dbraw/zinc/86/60/59/190866059.db2.gz UCDIFFXJUGMPGI-JTQLQIEISA-N 1 0 314.227 1.989 10 0 DDAERO COCCc1noc(-c2cccnc2N2CCC[NH2+]CC2)n1 ZINC000070457976 190897360 /nfs/dbraw/zinc/89/73/60/190897360.db2.gz QSEAEYRVOFGXGE-UHFFFAOYSA-N 1 0 303.366 1.120 10 0 DDAERO Clc1ccc(-n2nncc2CN2CC[NH2+]CC2)cc1Cl ZINC000070460983 190898619 /nfs/dbraw/zinc/89/86/19/190898619.db2.gz VRYMOYQHLFYTCE-UHFFFAOYSA-N 1 0 312.204 1.979 10 0 DDAERO CC[C@@H](C[NH3+])NS(=O)(=O)c1cccc(Br)c1 ZINC000083566331 192373515 /nfs/dbraw/zinc/37/35/15/192373515.db2.gz RONWQAPSGWVCDD-VIFPVBQESA-N 1 0 307.213 1.465 10 0 DDAERO C[NH+](C)CC1CCN(S(=O)(=O)c2cnccc2Cl)CC1 ZINC000071204208 190941476 /nfs/dbraw/zinc/94/14/76/190941476.db2.gz RRWZDKMTIBPTIR-UHFFFAOYSA-N 1 0 317.842 1.697 10 0 DDAERO Oc1ccc(C[NH2+]CCCc2nnc[nH]2)cc1Br ZINC000080572060 192168347 /nfs/dbraw/zinc/16/83/47/192168347.db2.gz WKFIRHRCBQYAAS-UHFFFAOYSA-N 1 0 311.183 1.995 10 0 DDAERO C[C@H](CC[NH3+])CCC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000083709116 192379190 /nfs/dbraw/zinc/37/91/90/192379190.db2.gz MJNLGELFUZYBTH-JTQLQIEISA-N 1 0 316.398 1.933 10 0 DDAERO C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(F)c(C[NH3+])c2)C1 ZINC000071238839 190947419 /nfs/dbraw/zinc/94/74/19/190947419.db2.gz BVNIYKCOHRJPPV-QWRGUYRKSA-N 1 0 300.399 1.951 10 0 DDAERO CC[C@@]1(C)C[NH2+][C@H](C(C)(C)C)CN1CCCS(C)(=O)=O ZINC000071348528 190960975 /nfs/dbraw/zinc/96/09/75/190960975.db2.gz JFNASEIBUDEYDM-ZFWWWQNUSA-N 1 0 304.500 1.910 10 0 DDAERO CCC[N@H+](CC)CCNC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000083736445 192380982 /nfs/dbraw/zinc/38/09/82/192380982.db2.gz AHUKUVBAZJOXGH-CYBMUJFWSA-N 1 0 308.430 1.453 10 0 DDAERO C[NH2+][C@H]1CCC2(C[C@H]1[S@](=O)c1cccc(C)c1)OCCO2 ZINC000084048094 192397039 /nfs/dbraw/zinc/39/70/39/192397039.db2.gz GFAFCDXHJJLCTE-ZSDSOXJFSA-N 1 0 309.431 1.986 10 0 DDAERO CC(C)[NH2+]CCC[S@@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084056345 192397548 /nfs/dbraw/zinc/39/75/48/192397548.db2.gz FQNZBOYUNSJPDA-SFHVURJKSA-N 1 0 303.449 1.586 10 0 DDAERO CCOC(=O)CN(CCOC)C(=O)CC1([NH3+])CCCCC1 ZINC000084181825 192410777 /nfs/dbraw/zinc/41/07/77/192410777.db2.gz NSUWWBFDKIEILR-UHFFFAOYSA-N 1 0 300.399 1.076 10 0 DDAERO CC(=O)Nc1cc(C(=O)NCCCC[NH+]2CCCC2)ccn1 ZINC000071566023 190990845 /nfs/dbraw/zinc/99/08/45/190990845.db2.gz KKEZYHDIPVAYDP-UHFFFAOYSA-N 1 0 304.394 1.646 10 0 DDAERO [NH3+]C[C@H]1c2cccc(Cl)c2CN1CCCN1CCOCC1 ZINC000071683243 191006918 /nfs/dbraw/zinc/00/69/18/191006918.db2.gz LFTQTQVEZPYLRL-INIZCTEOSA-N 1 0 309.841 1.878 10 0 DDAERO COc1ccc(CCNC(=O)Cc2csc(CC[NH3+])n2)cc1 ZINC000071696234 191009096 /nfs/dbraw/zinc/00/90/96/191009096.db2.gz VBXNVPLWXRYIJT-UHFFFAOYSA-N 1 0 319.430 1.554 10 0 DDAERO CN1CCc2nc(NC(=O)c3ccccc3C[NH3+])sc2C1 ZINC000071699677 191010015 /nfs/dbraw/zinc/01/00/15/191010015.db2.gz AVLHMIGUZUCYGZ-UHFFFAOYSA-N 1 0 302.403 1.842 10 0 DDAERO O=S(=O)(NC[C@@H]1CC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000133735061 186010205 /nfs/dbraw/zinc/01/02/05/186010205.db2.gz RIJOPTIVRSTGDW-MRVPVSSYSA-N 1 0 309.218 1.881 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccccc1Br ZINC000149075359 186047310 /nfs/dbraw/zinc/04/73/10/186047310.db2.gz KFVNSZAQUYSMNH-LDYMZIIASA-N 1 0 301.184 1.600 10 0 DDAERO CCC[C@H](C(=O)N1CCO[C@H](Cn2cc(C)cn2)C1)[NH+](C)C ZINC000155913612 186122946 /nfs/dbraw/zinc/12/29/46/186122946.db2.gz XSYCYZIRHGCPLM-LSDHHAIUSA-N 1 0 308.426 1.149 10 0 DDAERO CO[C@]1(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCOC1 ZINC000277238514 213387615 /nfs/dbraw/zinc/38/76/15/213387615.db2.gz QVOZVULCRQYZSU-UWWQBHOKSA-N 1 0 318.417 1.429 10 0 DDAERO Cc1sc(=O)n(CCC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1C ZINC000172066953 198034030 /nfs/dbraw/zinc/03/40/30/198034030.db2.gz YWHWFZQCUBONEK-AWEZNQCLSA-N 1 0 323.462 1.613 10 0 DDAERO O=C(Nc1nc2c(s1)COCC2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172260750 198067195 /nfs/dbraw/zinc/06/71/95/198067195.db2.gz QFBOGQVYVSSTKP-SNVBAGLBSA-N 1 0 308.407 1.528 10 0 DDAERO COC(=O)c1c(C)nc(C)c2c1ccn(CC[NH+](C)C)c2=O ZINC000072452114 191171883 /nfs/dbraw/zinc/17/18/83/191171883.db2.gz GIOJJXFHGRSDIG-UHFFFAOYSA-N 1 0 303.362 1.362 10 0 DDAERO O=C(c1cccnc1N1CC[N@@H+]2CCC[C@@H]2C1)N1CCCCC1 ZINC000172757261 198146495 /nfs/dbraw/zinc/14/64/95/198146495.db2.gz WTGJFLNPSDLAIX-OAHLLOKOSA-N 1 0 314.433 1.992 10 0 DDAERO CC(C)OC(=O)[C@@H](C)CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000173000794 198175364 /nfs/dbraw/zinc/17/53/64/198175364.db2.gz VYXBTSLHMODUFA-HOCLYGCPSA-N 1 0 320.433 1.863 10 0 DDAERO Cc1nccc(CNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)n1 ZINC000057076924 352797792 /nfs/dbraw/zinc/79/77/92/352797792.db2.gz VFMMMOKQWMTUAE-MRXNPFEDSA-N 1 0 313.405 1.887 10 0 DDAERO CCOc1ccc(OCCN2CC[NH+](C[C@H](O)CC)CC2)cc1 ZINC000174080247 198289159 /nfs/dbraw/zinc/28/91/59/198289159.db2.gz SXMJZBWMSJLUOB-MRXNPFEDSA-N 1 0 322.449 1.853 10 0 DDAERO CCc1ccc([C@@H](C)[NH2+]CC(=O)NCC(=O)N2CCCC2)cc1 ZINC000126255717 354053123 /nfs/dbraw/zinc/05/31/23/354053123.db2.gz VVGHILIXRCQQTA-CQSZACIVSA-N 1 0 317.433 1.638 10 0 DDAERO CCCCNC(=O)C1(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)CCCCC1 ZINC000236777917 202004700 /nfs/dbraw/zinc/00/47/00/202004700.db2.gz STQCMFIMDMWYDE-KGLIPLIRSA-N 1 0 309.454 1.849 10 0 DDAERO C[NH2+]CCn1cc(Br)cc(Br)c1=O ZINC000163977879 354246903 /nfs/dbraw/zinc/24/69/03/354246903.db2.gz JNGUSCPYQXZGNK-UHFFFAOYSA-N 1 0 309.989 1.593 10 0 DDAERO Cc1ccc(NC(=O)CN(C)C(=O)[C@]2(C)CCCC[NH2+]2)cc1 ZINC000180901262 354266551 /nfs/dbraw/zinc/26/65/51/354266551.db2.gz FORIVUMJZHOWRI-KRWDZBQOSA-N 1 0 303.406 1.924 10 0 DDAERO CSC[C@](C)(O)CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000156759817 354221297 /nfs/dbraw/zinc/22/12/97/354221297.db2.gz QWHKODHRVILNQX-TZMCWYRMSA-N 1 0 305.488 1.376 10 0 DDAERO C[NH+]1CCC(Oc2ncc(I)cn2)CC1 ZINC000159253793 354233697 /nfs/dbraw/zinc/23/36/97/354233697.db2.gz VQFUZHLRNBHOGA-UHFFFAOYSA-N 1 0 319.146 1.554 10 0 DDAERO NC(=O)c1cc2ncnc(N3CCC(CCC[NH3+])CC3)c2s1 ZINC000213878144 354311094 /nfs/dbraw/zinc/31/10/94/354311094.db2.gz IGGZVUHCFVICCM-UHFFFAOYSA-N 1 0 319.434 1.746 10 0 DDAERO C[C@@H]1C[C@H](C)CN(S(=O)(=O)N(C)[C@@H]2CCC[NH2+]CC2)C1 ZINC000226463722 354319971 /nfs/dbraw/zinc/31/99/71/354319971.db2.gz BAVBPBQMFPVMBA-HZSPNIEDSA-N 1 0 303.472 1.283 10 0 DDAERO CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCCOC2)nn1 ZINC000328603108 354545517 /nfs/dbraw/zinc/54/55/17/354545517.db2.gz DTOJXNSRMUQTTD-MELADBBJSA-N 1 0 308.426 1.758 10 0 DDAERO Cc1nn(C)c(C)c1CN1CCO[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000328635660 354555493 /nfs/dbraw/zinc/55/54/93/354555493.db2.gz NNVZAHACRJSZEE-INIZCTEOSA-N 1 0 306.454 1.580 10 0 DDAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H](F)CN2c2cccnn2)C[C@H](C)O1 ZINC000328651939 354559257 /nfs/dbraw/zinc/55/92/57/354559257.db2.gz WERPXPBQSVODAW-AICCOOGYSA-N 1 0 308.401 1.939 10 0 DDAERO C[N@H+](CC1CC1)C[C@@H]1CN(C(=O)c2ccncc2F)CCO1 ZINC000328651527 354559299 /nfs/dbraw/zinc/55/92/99/354559299.db2.gz VZBXIWSWYAZMCD-CYBMUJFWSA-N 1 0 307.369 1.404 10 0 DDAERO COC(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000381822047 354628079 /nfs/dbraw/zinc/62/80/79/354628079.db2.gz KZZQXOFMOYWKNN-DLBZAZTESA-N 1 0 321.417 1.982 10 0 DDAERO CN(Cc1nnnn1Cc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000381778864 354628238 /nfs/dbraw/zinc/62/82/38/354628238.db2.gz XWCCYGWBSLDSTF-OAHLLOKOSA-N 1 0 300.410 1.295 10 0 DDAERO Ic1ccc(N[C@@H]2CCC[NH2+]C2)nc1 ZINC000420186114 283041206 /nfs/dbraw/zinc/04/12/06/283041206.db2.gz PVUKAXPXSQBGSA-SECBINFHSA-N 1 0 303.147 1.850 10 0 DDAERO O=c1cc(CN[C@@H]2CCC[NH2+]C2)nc(-c2ccc(F)cc2)[nH]1 ZINC000073696189 191342444 /nfs/dbraw/zinc/34/24/44/191342444.db2.gz IIJCCONSDFZTCF-CYBMUJFWSA-N 1 0 302.353 1.418 10 0 DDAERO O=c1cc(CN[C@H]2CCC[NH2+]C2)nc(-c2cccc(F)c2)[nH]1 ZINC000073696047 191342972 /nfs/dbraw/zinc/34/29/72/191342972.db2.gz LBGGCJBOAVXPPB-ZDUSSCGKSA-N 1 0 302.353 1.418 10 0 DDAERO CC(C)Oc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1F ZINC000074935444 191389737 /nfs/dbraw/zinc/38/97/37/191389737.db2.gz OPAAZYFCTGWHCX-UHFFFAOYSA-N 1 0 304.387 1.453 10 0 DDAERO CN1CC[C@H]([N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)C1=O ZINC000248620847 283119737 /nfs/dbraw/zinc/11/97/37/283119737.db2.gz SVDZEZOQUSLWAZ-DGAVXFQQSA-N 1 0 323.437 1.452 10 0 DDAERO CCC[C@@H](C[NH3+])N1CCN(S(=O)(=O)CC(C)(C)C)CC1 ZINC000080186165 192010432 /nfs/dbraw/zinc/01/04/32/192010432.db2.gz XNVFJCPHZGFZEZ-ZDUSSCGKSA-N 1 0 305.488 1.107 10 0 DDAERO CC(C)(C)[NH2+]Cc1nn(CCS(C)(=O)=O)c2ccccc12 ZINC000080069859 191998302 /nfs/dbraw/zinc/99/83/02/191998302.db2.gz CNUYGWRPKCNUAL-UHFFFAOYSA-N 1 0 309.435 1.969 10 0 DDAERO CC[C@@H](NS(=O)(=O)CC1CC[NH2+]CC1)c1nccs1 ZINC000080315040 192023565 /nfs/dbraw/zinc/02/35/65/192023565.db2.gz ILFRUYHQDYJYLJ-LLVKDONJSA-N 1 0 303.453 1.513 10 0 DDAERO CNS(=O)(=O)c1ccccc1NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000080994393 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1 0 313.467 1.670 10 0 DDAERO CCN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccc(F)c(F)c1 ZINC000093878201 193322566 /nfs/dbraw/zinc/32/25/66/193322566.db2.gz PKYBTMYWSUSPOG-UHFFFAOYSA-N 1 0 306.378 1.960 10 0 DDAERO CCCN(CC(=O)NCCCOC(C)C)CC(C)(C)C[NH3+] ZINC000093891967 193324336 /nfs/dbraw/zinc/32/43/36/193324336.db2.gz BSRIPLNZIYNOKE-UHFFFAOYSA-N 1 0 301.475 1.615 10 0 DDAERO CCC[NH2+][C@H](CCCS(C)(=O)=O)[C@H]1CN(CCC)CCO1 ZINC000093921008 193327998 /nfs/dbraw/zinc/32/79/98/193327998.db2.gz OCUQVHNBLUIQIK-HUUCEWRRSA-N 1 0 320.499 1.290 10 0 DDAERO C[NH2+][C@@H]1c2ccccc2CCC[C@H]1N(C)CCS(C)(=O)=O ZINC000094298069 193357183 /nfs/dbraw/zinc/35/71/83/193357183.db2.gz NNKBHTGPXAQNLB-HZPDHXFCSA-N 1 0 310.463 1.628 10 0 DDAERO CCc1ccc([C@H]([NH2+]C)[C@H](C)N(C)CCS(C)(=O)=O)cc1 ZINC000094298555 193357555 /nfs/dbraw/zinc/35/75/55/193357555.db2.gz FGRQAMKUVDCOCJ-XJKSGUPXSA-N 1 0 312.479 1.874 10 0 DDAERO C[NH2+][C@H](c1ccccc1)[C@@H](C(C)C)N(C)CCS(C)(=O)=O ZINC000094298121 193357747 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UWIWTUNEIVGIGJ-CVEARBPZSA-N 1 0 306.406 1.841 10 0 DDAERO C[NH+](C)C[C@H]1C[C@@H](O)CN1CC(=O)Nc1cccc(Cl)c1 ZINC000097264833 193701401 /nfs/dbraw/zinc/70/14/01/193701401.db2.gz VHJPWBKBIDLDAI-ZIAGYGMSSA-N 1 0 311.813 1.275 10 0 DDAERO CCCn1ncnc1C[C@H](C[C@H]1CCS(=O)(=O)C1)[NH2+]CC ZINC000097282077 193703541 /nfs/dbraw/zinc/70/35/41/193703541.db2.gz MLIQGCNXBPPSQK-OLZOCXBDSA-N 1 0 314.455 1.034 10 0 DDAERO CC[NH2+][C@H](c1cc(C)nn1C)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000097312777 193707222 /nfs/dbraw/zinc/70/72/22/193707222.db2.gz YBFHILGKGRCKDE-IPYPFGDCSA-N 1 0 313.467 1.983 10 0 DDAERO CC[NH2+]C[C@H]1COCCN1c1ncc(C)cc1Br ZINC000097847232 193764190 /nfs/dbraw/zinc/76/41/90/193764190.db2.gz PIZMDJATSUMGDI-NSHDSACASA-N 1 0 314.227 1.967 10 0 DDAERO C[C@H](CNS(=O)(=O)c1ccccc1Br)[NH+](C)C ZINC000026857478 182455649 /nfs/dbraw/zinc/45/56/49/182455649.db2.gz CTIVDTPLIFMVLG-SECBINFHSA-N 1 0 321.240 1.678 10 0 DDAERO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1O)C12CC3CC(CC(C3)C1)C2 ZINC000037487489 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CCNS(=O)(=O)c1ccccc1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746420 183128824 /nfs/dbraw/zinc/12/88/24/183128824.db2.gz RECHXVFNTRHUOO-FUNVUKJBSA-N 1 0 309.435 1.680 10 0 DDAERO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(N)cs2)CC1 ZINC000041067955 183161860 /nfs/dbraw/zinc/16/18/60/183161860.db2.gz MKSBOCRVVRUXND-UHFFFAOYSA-N 1 0 303.453 1.435 10 0 DDAERO C[C@@H]([NH3+])c1ccc(NC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000041716944 183218408 /nfs/dbraw/zinc/21/84/08/183218408.db2.gz KNWCYASPVSVABD-MFKMUULPSA-N 1 0 311.407 1.357 10 0 DDAERO COC(=O)[C@H](c1cc(Br)cs1)N1CC[NH2+]CC1 ZINC000041678179 183215884 /nfs/dbraw/zinc/21/58/84/183215884.db2.gz CITCKLMUZKLWNS-JTQLQIEISA-N 1 0 319.224 1.630 10 0 DDAERO CC[C@H](O)c1cccc(S(=O)(=O)NCCCC[NH+](C)C)c1 ZINC000041684797 183216938 /nfs/dbraw/zinc/21/69/38/183216938.db2.gz ZULFHPVAVJUGFB-HNNXBMFYSA-N 1 0 314.451 1.750 10 0 DDAERO CCNC(=O)COc1c(Br)cccc1C[NH2+]C ZINC000042411541 183265302 /nfs/dbraw/zinc/26/53/02/183265302.db2.gz OTQFYQRSQCDLNW-UHFFFAOYSA-N 1 0 301.184 1.683 10 0 DDAERO CCC[NH2+]CCN1c2ccc(Br)cc2C(=O)C1=O ZINC000042410256 183265378 /nfs/dbraw/zinc/26/53/78/183265378.db2.gz WIKHOTNIKJNDRP-UHFFFAOYSA-N 1 0 311.179 1.978 10 0 DDAERO C[C@@H]([NH3+])Cc1cccc(Br)c1O[C@H](C)C(N)=O ZINC000042412829 183266577 /nfs/dbraw/zinc/26/65/77/183266577.db2.gz PUAYCRYZPZJMQK-HTQZYQBOSA-N 1 0 301.184 1.591 10 0 DDAERO CC[C@H]([NH3+])Cc1cccc(Br)c1OCC(=O)NC ZINC000042412846 183266816 /nfs/dbraw/zinc/26/68/16/183266816.db2.gz RACCVRSBDRTHKP-JTQLQIEISA-N 1 0 315.211 1.854 10 0 DDAERO COC[C@H](O)C[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1N ZINC000042483176 183275364 /nfs/dbraw/zinc/27/53/64/183275364.db2.gz LQFRCSBUBZKMGK-LLVKDONJSA-N 1 0 315.801 1.190 10 0 DDAERO CCOC(=O)CN(CC)S(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000042552041 183283725 /nfs/dbraw/zinc/28/37/25/183283725.db2.gz ZKDAZGCAWYLIRT-NSHDSACASA-N 1 0 314.407 1.280 10 0 DDAERO CNC(=O)CN(C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042953057 183321719 /nfs/dbraw/zinc/32/17/19/183321719.db2.gz 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/nfs/dbraw/zinc/30/73/47/231307347.db2.gz YFKCRWXZYBPYIQ-HUUCEWRRSA-N 1 0 323.437 1.456 10 0 DDAERO [NH3+]C1CN(CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000087590065 185229039 /nfs/dbraw/zinc/22/90/39/185229039.db2.gz YXMNWEPOKJHFBH-UHFFFAOYSA-N 1 0 318.602 1.684 10 0 DDAERO C[C@H]([NH3+])CCC[C@H](C)C(=O)N1CCN(c2nccs2)CC1 ZINC000087682613 185230482 /nfs/dbraw/zinc/23/04/82/185230482.db2.gz UVSHVPGZHUJJJF-STQMWFEESA-N 1 0 310.467 1.945 10 0 DDAERO C[C@H]([NH3+])CCC[C@H](C)C(=O)N(C)CC(=O)NCC(F)(F)F ZINC000087696320 185230672 /nfs/dbraw/zinc/23/06/72/185230672.db2.gz NTJWQZKWXXYQAE-UWVGGRQHSA-N 1 0 311.348 1.277 10 0 DDAERO C[C@@H]([NH3+])CCC[C@@H](C)C(=O)N(C)CC(=O)NCC(F)(F)F ZINC000087696317 185230821 /nfs/dbraw/zinc/23/08/21/185230821.db2.gz NTJWQZKWXXYQAE-NXEZZACHSA-N 1 0 311.348 1.277 10 0 DDAERO OCC(CO)[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000087749453 185231587 /nfs/dbraw/zinc/23/15/87/185231587.db2.gz MFOZCXVOYKTMAH-LLVKDONJSA-N 1 0 302.168 1.216 10 0 DDAERO CCC[C@@H]1CC[C@H]([NH2+]CC)[C@H](S(=O)(=O)CC(=O)OC)C1 ZINC000081975708 192347882 /nfs/dbraw/zinc/34/78/82/192347882.db2.gz ZSNPQNMOYQMJTF-FRRDWIJNSA-N 1 0 305.440 1.521 10 0 DDAERO NNc1cc(Sc2ccc(Br)cn2)nc(N)[nH+]1 ZINC000087894821 185235116 /nfs/dbraw/zinc/23/51/16/185235116.db2.gz LEFPMAPKADYRQZ-UHFFFAOYSA-N 1 0 313.184 1.653 10 0 DDAERO [NH3+]C[C@H](NCCCO)c1cc(Cl)c2c(c1)OCCCO2 ZINC000087929880 185237656 /nfs/dbraw/zinc/23/76/56/185237656.db2.gz TVTJWLWBWHVJOM-LBPRGKRZSA-N 1 0 300.786 1.473 10 0 DDAERO C[C@@H]([NH3+])CS(=O)(=O)Cc1ccc(F)cc1Br ZINC000088070328 185238577 /nfs/dbraw/zinc/23/85/77/185238577.db2.gz DNLXBGKUYMBGNG-SSDOTTSWSA-N 1 0 310.188 1.850 10 0 DDAERO COc1ccc(CN2CCC([NH+](C)C)CC2)cc1C(N)=S ZINC000087832465 185232454 /nfs/dbraw/zinc/23/24/54/185232454.db2.gz YUYDVQQBFIZRIN-UHFFFAOYSA-N 1 0 307.463 1.855 10 0 DDAERO CC[C@H]1COCCN1c1nc(NN)[nH+]cc1Br ZINC000087854607 185233658 /nfs/dbraw/zinc/23/36/58/185233658.db2.gz ZNCBAOCQVGTWCI-ZETCQYMHSA-N 1 0 302.176 1.140 10 0 DDAERO [NH3+][C@@H](Cc1cc(F)ccc1Br)[C@@H]1COCCO1 ZINC000087857423 185233725 /nfs/dbraw/zinc/23/37/25/185233725.db2.gz MHDCGXYHODYZGT-RYUDHWBXSA-N 1 0 304.159 1.873 10 0 DDAERO CCO[C@@H]1CCCN(c2nc(NN)[nH+]cc2Br)C1 ZINC000087866343 185233846 /nfs/dbraw/zinc/23/38/46/185233846.db2.gz PBSSPYXGXXKGCY-MRVPVSSYSA-N 1 0 316.203 1.530 10 0 DDAERO NNc1nc(N[C@H]2CCN(C3CC3)C2)c(Br)c[nH+]1 ZINC000087868061 185234194 /nfs/dbraw/zinc/23/41/94/185234194.db2.gz CPXHMFHNVFAVLN-ZETCQYMHSA-N 1 0 313.203 1.173 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cccc(OC)n1 ZINC000176290248 539229315 /nfs/dbraw/zinc/22/93/15/539229315.db2.gz DHARWJOBWALAOY-CQSZACIVSA-N 1 0 306.410 1.716 10 0 DDAERO CCC[NH2+]Cc1nnnn1-c1c2nsnc2ccc1Cl ZINC000088127768 185240230 /nfs/dbraw/zinc/24/02/30/185240230.db2.gz YWOGZSDJNJCACI-UHFFFAOYSA-N 1 0 309.786 1.820 10 0 DDAERO COc1ccc(Br)c(NC[C@H](O)C[NH+](C)C)c1 ZINC000088319565 185245525 /nfs/dbraw/zinc/24/55/25/185245525.db2.gz DBTAHLPWCVRTSK-VIFPVBQESA-N 1 0 303.200 1.792 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)N(C1CC1)C1CCC(C)CC1)C(C)C ZINC000183635422 539242639 /nfs/dbraw/zinc/24/26/39/539242639.db2.gz OCCWKVXAFRFLRQ-MQBCKMQZSA-N 1 0 323.481 1.916 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)Nc1c(C)cccc1Cl)C(C)C ZINC000183667873 539243034 /nfs/dbraw/zinc/24/30/34/539243034.db2.gz YROGCHFHYKQKQS-CYBMUJFWSA-N 1 0 311.813 1.947 10 0 DDAERO O=c1c2cc(Br)ccc2ncn1C[C@@H]1CCC[NH2+]1 ZINC000088452950 185251647 /nfs/dbraw/zinc/25/16/47/185251647.db2.gz APBTZIADAGNYBW-JTQLQIEISA-N 1 0 308.179 1.911 10 0 DDAERO COc1ccccc1OCC[C@H](C[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000088414484 185249119 /nfs/dbraw/zinc/24/91/19/185249119.db2.gz RXUYBADZQIRLRJ-OLZOCXBDSA-N 1 0 313.419 1.474 10 0 DDAERO COCCCS(=O)(=O)C[C@@H]([NH3+])c1ccc(OC(C)C)cc1 ZINC000081985044 192348835 /nfs/dbraw/zinc/34/88/35/192348835.db2.gz VBXJLQIHFQYKSR-OAHLLOKOSA-N 1 0 315.435 1.925 10 0 DDAERO O=S(=O)(c1ccc(CO)o1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000088552238 185257546 /nfs/dbraw/zinc/25/75/46/185257546.db2.gz VTCNWFSLTPGGLE-GFCCVEGCSA-N 1 0 314.407 1.021 10 0 DDAERO Cn1ncnc1C[C@H](C[NH3+])Cc1cccc(Br)c1 ZINC000088582966 185258620 /nfs/dbraw/zinc/25/86/20/185258620.db2.gz TVLAQDNTCWXMGF-LLVKDONJSA-N 1 0 309.211 1.938 10 0 DDAERO C[NH2+]CCCNC(=O)c1sc2nc3c(cc2c1N)CCC3 ZINC000088641291 185260816 /nfs/dbraw/zinc/26/08/16/185260816.db2.gz YSWUNBWLKXKGSR-UHFFFAOYSA-N 1 0 304.419 1.707 10 0 DDAERO Cc1cc(C)c2c(N)c(C(=O)NC3CC[NH2+]CC3)sc2n1 ZINC000088641245 185260817 /nfs/dbraw/zinc/26/08/17/185260817.db2.gz ZRQWULYZFDKNHX-UHFFFAOYSA-N 1 0 304.419 1.977 10 0 DDAERO C[C@H]1CCC[C@@H](S(=O)(=O)[C@@H]2CC3(CC[C@@H]2[NH3+])OCCO3)C1 ZINC000081983327 192349181 /nfs/dbraw/zinc/34/91/81/192349181.db2.gz NAWCJXXDWUIZKU-RFQIPJPRSA-N 1 0 317.451 1.603 10 0 DDAERO C[NH2+][C@H](CS(=O)(=O)C(C)C)c1ccc2c(c1)OCCCO2 ZINC000081980110 192350026 /nfs/dbraw/zinc/35/00/26/192350026.db2.gz KBYVANHCHZIFQE-CYBMUJFWSA-N 1 0 313.419 1.932 10 0 DDAERO COC(=O)CS(=O)(=O)C[C@H]([NH3+])c1ccc(OC(C)C)cc1 ZINC000082004637 192353524 /nfs/dbraw/zinc/35/35/24/192353524.db2.gz KCDZOYBNPDQEON-ZDUSSCGKSA-N 1 0 315.391 1.061 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NC(=O)c1ccccc1C(F)(F)F ZINC000090311329 185290431 /nfs/dbraw/zinc/29/04/31/185290431.db2.gz OKNVTPHUAPTWHO-UTUOFQBUSA-N 1 0 302.296 1.940 10 0 DDAERO [NH3+][C@@H]1COC[C@@H]1C(=O)Nc1cc(Cl)ccc1-n1cccn1 ZINC000090381443 185293765 /nfs/dbraw/zinc/29/37/65/185293765.db2.gz ZNDCUIJTENHDAL-WDEREUQCSA-N 1 0 306.753 1.438 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(Br)cn1 ZINC000090432133 185295900 /nfs/dbraw/zinc/29/59/00/185295900.db2.gz FBWAHMGDCJIJEC-BDAKNGLRSA-N 1 0 300.156 1.017 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(Cl)cc1C(=O)OC ZINC000090432918 185296397 /nfs/dbraw/zinc/29/63/97/185296397.db2.gz URKFBQLPHAVFDM-CMPLNLGQSA-N 1 0 312.753 1.300 10 0 DDAERO CN(CCOc1cccc(Cl)c1)C(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090591017 185305607 /nfs/dbraw/zinc/30/56/07/185305607.db2.gz GGRJDZUFRBBGAW-UKRRQHHQSA-N 1 0 312.797 1.541 10 0 DDAERO C[NH+](C)C[C@@H]1CSCCCN1S(=O)(=O)c1cccnc1 ZINC000090700306 185310397 /nfs/dbraw/zinc/31/03/97/185310397.db2.gz ARNYFJUUWNQYQX-GFCCVEGCSA-N 1 0 315.464 1.139 10 0 DDAERO CC[NH2+][C@@](CO[C@@H](C)C(F)(F)F)(C(N)=O)c1ccccc1 ZINC000090674589 185308983 /nfs/dbraw/zinc/30/89/83/185308983.db2.gz JWVCTSXXVYSGSM-GXFFZTMASA-N 1 0 304.312 1.944 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(F)cc1N ZINC000092622698 185329974 /nfs/dbraw/zinc/32/99/74/185329974.db2.gz GQMWGMVOGLKSFZ-LBPRGKRZSA-N 1 0 315.414 1.513 10 0 DDAERO CN(c1cc2c(cc1Cl)[C@H](O)C(=O)N2)[C@@H]1CCC[N@H+](C)C1 ZINC000092771452 185339410 /nfs/dbraw/zinc/33/94/10/185339410.db2.gz DZEQLNMNUFVFFL-OTYXRUKQSA-N 1 0 309.797 1.856 10 0 DDAERO CCn1cnc(S(=O)(=O)N[C@]2(C[NH3+])CCC[C@@H](C)C2)c1 ZINC000092910898 185348708 /nfs/dbraw/zinc/34/87/08/185348708.db2.gz BGRQHACQLVRVCQ-DGCLKSJQSA-N 1 0 300.428 1.089 10 0 DDAERO O=C(CC[NH2+][C@@H]1CCS(=O)(=O)c2ccccc21)NC1CC1 ZINC000092986792 185350896 /nfs/dbraw/zinc/35/08/96/185350896.db2.gz SVBHMXHYDWZQPP-CYBMUJFWSA-N 1 0 308.403 1.163 10 0 DDAERO C[C@@H]1CN(Cc2cnc3ccc(Br)cn23)C[C@@H]1[NH3+] ZINC000261918920 282289223 /nfs/dbraw/zinc/28/92/23/282289223.db2.gz BLPUBUOQNUSXEY-SKDRFNHKSA-N 1 0 309.211 1.876 10 0 DDAERO CCOCCNC(=O)C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000181742481 199346197 /nfs/dbraw/zinc/34/61/97/199346197.db2.gz MFBRKMYNTIFZPZ-GFCCVEGCSA-N 1 0 308.378 1.261 10 0 DDAERO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)C(=O)N2CCCCC2)C1 ZINC000109159608 185554257 /nfs/dbraw/zinc/55/42/57/185554257.db2.gz NJDRHVJKAPNVAZ-GJZGRUSLSA-N 1 0 324.469 1.419 10 0 DDAERO Cc1noc([C@@H]2COCCN2C(=O)C[NH+]2CCC(C)CC2)n1 ZINC000155379118 282410585 /nfs/dbraw/zinc/41/05/85/282410585.db2.gz IDECNSGHKYTMSX-ZDUSSCGKSA-N 1 0 308.382 1.010 10 0 DDAERO CC(C)(C)OC(=O)Nc1ccc([C@@H]2CN(CCO)CC[NH2+]2)cc1 ZINC000616633976 362765068 /nfs/dbraw/zinc/76/50/68/362765068.db2.gz IKRZXJRHNCRBMK-HNNXBMFYSA-N 1 0 321.421 1.972 10 0 DDAERO Cc1nc(Cl)ccc1S(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000287016775 219271506 /nfs/dbraw/zinc/27/15/06/219271506.db2.gz UTKPTYIXFVVSKC-JTQLQIEISA-N 1 0 303.815 1.368 10 0 DDAERO C[NH2+]C[C@H](C)CN1c2cccc(Br)c2C(=O)C1=O ZINC000070526984 190904290 /nfs/dbraw/zinc/90/42/90/190904290.db2.gz WKOGNUHIYMZCMV-QMMMGPOBSA-N 1 0 311.179 1.834 10 0 DDAERO NC(=[NH2+])SCCS(=O)(=O)c1ccc(Br)cc1 ZINC000083588849 192374922 /nfs/dbraw/zinc/37/49/22/192374922.db2.gz BJUMKRKSNCVULM-UHFFFAOYSA-N 1 0 323.237 1.849 10 0 DDAERO C[NH2+][C@@H](C)CCC[S@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084055450 192398157 /nfs/dbraw/zinc/39/81/57/192398157.db2.gz DJEHNOZLLGZGKR-BBATYDOGSA-N 1 0 303.449 1.586 10 0 DDAERO Nc1nc2ccc(C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)cc2s1 ZINC000071697955 191008289 /nfs/dbraw/zinc/00/82/89/191008289.db2.gz YAAPOLZINZHKBP-OAHLLOKOSA-N 1 0 302.403 1.704 10 0 DDAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cn1 ZINC000262133038 282680817 /nfs/dbraw/zinc/68/08/17/282680817.db2.gz GOYQBWBOKYJUDF-WCXIOVBPSA-N 1 0 316.449 1.808 10 0 DDAERO O=C(c1cccnc1N1CCCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171586537 197947412 /nfs/dbraw/zinc/94/74/12/197947412.db2.gz QEGWLWXQSUSSEN-OAHLLOKOSA-N 1 0 314.433 1.992 10 0 DDAERO COc1ccc(Br)c(C[NH2+][C@H]2CCOC[C@H]2O)c1 ZINC000623766282 366046096 /nfs/dbraw/zinc/04/60/96/366046096.db2.gz CXXAMSBXOQSETL-QWHCGFSZSA-N 1 0 316.195 1.697 10 0 DDAERO COCc1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)no1 ZINC000173142898 198188260 /nfs/dbraw/zinc/18/82/60/198188260.db2.gz OUEAIIWYMCMXTN-HNNXBMFYSA-N 1 0 303.362 1.854 10 0 DDAERO O=C(C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1)N1CCOCC1 ZINC000174383910 198328554 /nfs/dbraw/zinc/32/85/54/198328554.db2.gz OFKCELPQGRZTKA-DLBZAZTESA-N 1 0 318.417 1.433 10 0 DDAERO C[C@@H](COCc1ccccc1)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000174350786 198323205 /nfs/dbraw/zinc/32/32/05/198323205.db2.gz UTOYESAPGDHIAB-HOCLYGCPSA-N 1 0 305.422 1.985 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1ccccn1 ZINC000174611017 198358721 /nfs/dbraw/zinc/35/87/21/198358721.db2.gz 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CC[NH2+][C@@H](CN(C)CCS(C)(=O)=O)c1cccc(OC)c1 ZINC000094298479 193357715 /nfs/dbraw/zinc/35/77/15/193357715.db2.gz GNUAHACKAFBWCZ-HNNXBMFYSA-N 1 0 314.451 1.322 10 0 DDAERO C[NH2+][C@@H](CN(C)CCS(C)(=O)=O)c1c(C)cc(C)cc1C ZINC000094298276 193357879 /nfs/dbraw/zinc/35/78/79/193357879.db2.gz JXDGHWFQWWBBAG-HNNXBMFYSA-N 1 0 312.479 1.849 10 0 DDAERO CN(CCS(C)(=O)=O)C[C@H]([NH3+])c1ccc2ccccc2c1 ZINC000094298488 193358082 /nfs/dbraw/zinc/35/80/82/193358082.db2.gz SUWQJCCXPZMVRV-INIZCTEOSA-N 1 0 306.431 1.816 10 0 DDAERO CC(C)NS(=O)(=O)c1ccc(N2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000094342661 193362210 /nfs/dbraw/zinc/36/22/10/193362210.db2.gz YDGSRGKOALMIHC-WFASDCNBSA-N 1 0 311.451 1.547 10 0 DDAERO C[NH2+]Cc1cc(F)c(O[C@H](C)C(=O)NCCOC)c(F)c1 ZINC000094346673 193363037 /nfs/dbraw/zinc/36/30/37/193363037.db2.gz PFMHFNZYWBMEJU-SECBINFHSA-N 1 0 302.321 1.214 10 0 DDAERO CNC(=O)[C@H](C)Oc1c(F)cc(C[NH2+]CCOC)cc1F ZINC000094348155 193363846 /nfs/dbraw/zinc/36/38/46/193363846.db2.gz 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CCC1(CC)CCN(S(=O)(=O)c2cc(C[NH2+]C)n(C)c2)C1 ZINC000094815070 193399726 /nfs/dbraw/zinc/39/97/26/193399726.db2.gz JRFIKENILVSLII-UHFFFAOYSA-N 1 0 313.467 1.945 10 0 DDAERO COC(=O)[C@H]1CCCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)C1 ZINC000156754539 284329517 /nfs/dbraw/zinc/32/95/17/284329517.db2.gz NWLWJBNSJSFPCK-KBPBESRZSA-N 1 0 313.442 1.557 10 0 DDAERO C[C@@H]([NH2+][C@@H]1CN2CCC1CC2)c1ccc(S(C)(=O)=O)cc1 ZINC000020023536 182179660 /nfs/dbraw/zinc/17/96/60/182179660.db2.gz BRXUSJCGZBZYPA-MLGOLLRUSA-N 1 0 308.447 1.835 10 0 DDAERO CNC(=O)NC(=O)[C@H](C)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000020302941 182204365 /nfs/dbraw/zinc/20/43/65/182204365.db2.gz UCETVYTTXOVGHA-QMMMGPOBSA-N 1 0 303.284 1.639 10 0 DDAERO CCc1cc2c(ncnc2NCCC(=O)NCC[NH+](C)C)s1 ZINC000031868941 182627646 /nfs/dbraw/zinc/62/76/46/182627646.db2.gz PIVORXHGQCVFEL-UHFFFAOYSA-N 1 0 321.450 1.734 10 0 DDAERO CC[C@H]1CN(C(=O)Nc2nnc(C)s2)CC[N@@H+]1C[C@@H](C)O ZINC000173273181 248332667 /nfs/dbraw/zinc/33/26/67/248332667.db2.gz QCDCZWGFTKZNDC-KOLCDFICSA-N 1 0 313.427 1.155 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(OCC(F)(F)F)n2)C1 ZINC000121081977 248268985 /nfs/dbraw/zinc/26/89/85/248268985.db2.gz QSPMTSSTURHRHY-JTQLQIEISA-N 1 0 317.311 1.799 10 0 DDAERO CC(C)C[C@@H](CCO)CNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000173827485 248350687 /nfs/dbraw/zinc/35/06/87/248350687.db2.gz GKEIQXMQPKNZSE-HUUCEWRRSA-N 1 0 315.458 1.051 10 0 DDAERO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N2CC[C@@H](F)C2)cc1 ZINC000333733702 249086650 /nfs/dbraw/zinc/08/66/50/249086650.db2.gz WNZHICBKHDURCS-VNQPRFMTSA-N 1 0 321.396 1.894 10 0 DDAERO CO[C@@H]1C[NH2+][C@H](C(=O)N(Cc2ccco2)CC(F)(F)F)C1 ZINC000040634743 183112605 /nfs/dbraw/zinc/11/26/05/183112605.db2.gz RKKUALLXQRUIMX-QWRGUYRKSA-N 1 0 306.284 1.547 10 0 DDAERO CC(C)([NH2+]Cc1cccc(NC(=O)C(F)(F)F)c1)C(N)=O ZINC000040674763 183116234 /nfs/dbraw/zinc/11/62/34/183116234.db2.gz NVASUOYUGHBAEH-UHFFFAOYSA-N 1 0 303.284 1.541 10 0 DDAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)C1 ZINC000040630049 183111211 /nfs/dbraw/zinc/11/12/11/183111211.db2.gz POAZTXAAEDSLEW-VXGBXAGGSA-N 1 0 302.296 1.699 10 0 DDAERO C[NH+]1CCN(C(C)(C)CNC(=O)c2cccnc2Cl)CC1 ZINC000040807306 183136022 /nfs/dbraw/zinc/13/60/22/183136022.db2.gz CYVASNAZGAWXAP-UHFFFAOYSA-N 1 0 310.829 1.491 10 0 DDAERO O=C(c1cccnc1N1CC[N@@H+]2CCC[C@H]2C1)N1CCCCC1 ZINC000246251645 296265915 /nfs/dbraw/zinc/26/59/15/296265915.db2.gz WTGJFLNPSDLAIX-HNNXBMFYSA-N 1 0 314.433 1.992 10 0 DDAERO CCOC(=O)COC[C@@H]([NH3+])c1cc(OC)c(OC)cc1Cl ZINC000041072137 183163111 /nfs/dbraw/zinc/16/31/11/183163111.db2.gz YIJWKUXDAKABRL-LLVKDONJSA-N 1 0 317.769 1.937 10 0 DDAERO CC[NH+](CC)[C@@H](CNC(=O)CCNC(C)=O)c1cccs1 ZINC000041309070 183185076 /nfs/dbraw/zinc/18/50/76/183185076.db2.gz VVCCPRMKIGXBBV-ZDUSSCGKSA-N 1 0 311.451 1.773 10 0 DDAERO CCCN(CC[NH+](C)C)S(=O)(=O)c1cccnc1Cl ZINC000041679114 183216068 /nfs/dbraw/zinc/21/60/68/183216068.db2.gz JLXJZHRGXBBYOB-UHFFFAOYSA-N 1 0 305.831 1.697 10 0 DDAERO CNC(=O)COc1c(Br)cccc1C[NH2+]C1CC1 ZINC000042411971 183266120 /nfs/dbraw/zinc/26/61/20/183266120.db2.gz POIMCYMETKENJL-UHFFFAOYSA-N 1 0 313.195 1.826 10 0 DDAERO CCN1C(=O)C[C@@H]([NH2+]Cc2cccc(Br)c2)C1=O ZINC000042418889 183267965 /nfs/dbraw/zinc/26/79/65/183267965.db2.gz CXQFYBJPHRTAJQ-LLVKDONJSA-N 1 0 311.179 1.686 10 0 DDAERO C[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)CCC(=O)OC)c1 ZINC000042552012 183283976 /nfs/dbraw/zinc/28/39/76/183283976.db2.gz ILBUVOMDDJFEEY-LLVKDONJSA-N 1 0 314.407 1.151 10 0 DDAERO CC[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N1CCS(=O)(=O)CC1 ZINC000043014589 183327683 /nfs/dbraw/zinc/32/76/83/183327683.db2.gz HHGVKDBTJYVUIN-ZIAGYGMSSA-N 1 0 316.854 1.849 10 0 DDAERO C[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)CC(N)=O ZINC000043020450 183328508 /nfs/dbraw/zinc/32/85/08/183328508.db2.gz KERHRJMDRBWYDK-PELKAZGASA-N 1 0 300.200 1.255 10 0 DDAERO NC(=O)[C@H]1CCCN1[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000043285096 183350366 /nfs/dbraw/zinc/35/03/66/183350366.db2.gz ICJNYFJXOVMXHT-BDAKNGLRSA-N 1 0 318.240 1.460 10 0 DDAERO C[NH2+][C@@H](c1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000043300576 183352579 /nfs/dbraw/zinc/35/25/79/183352579.db2.gz ZLNXBCXHQPQXPE-BXKDBHETSA-N 1 0 305.346 1.983 10 0 DDAERO C[C@@H]([NH3+])[C@H](c1cccnc1)N1CCN(c2nccs2)CC1 ZINC000043345887 183356357 /nfs/dbraw/zinc/35/63/57/183356357.db2.gz DNPYNJQGCFLXOV-TZMCWYRMSA-N 1 0 303.435 1.749 10 0 DDAERO CC[C@@H]([NH3+])[C@H](c1ccccc1Br)N(C)CC(N)=O ZINC000043091467 183335869 /nfs/dbraw/zinc/33/58/69/183335869.db2.gz LBQHXKBWNVHBPC-YPMHNXCESA-N 1 0 314.227 1.645 10 0 DDAERO COC(=O)[C@@H](C)Oc1c(Br)cccc1CC[NH3+] ZINC000043631973 183376115 /nfs/dbraw/zinc/37/61/15/183376115.db2.gz SRZOLZTUSVOIFA-MRVPVSSYSA-N 1 0 302.168 1.891 10 0 DDAERO O=S(=O)(NCC1CC[NH2+]CC1)c1ccc(F)c(F)c1F ZINC000044503919 183416109 /nfs/dbraw/zinc/41/61/09/183416109.db2.gz KPTSUEINJBCWJZ-UHFFFAOYSA-N 1 0 308.325 1.382 10 0 DDAERO [NH3+][C@@H]1CC[C@@H]2CN(c3ccccc3S(=O)(=O)C(F)F)C[C@@H]12 ZINC000261599492 295321478 /nfs/dbraw/zinc/32/14/78/295321478.db2.gz BDDLYLBZANKTKV-GMTAPVOTSA-N 1 0 316.373 1.856 10 0 DDAERO COc1cc2c(cc1F)[nH+]ccc2N1C[C@H](OC)C[C@H]1CO ZINC000284618183 218102327 /nfs/dbraw/zinc/10/23/27/218102327.db2.gz SQCTVUYWBWDQEW-WDEREUQCSA-N 1 0 306.337 1.969 10 0 DDAERO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000105818187 194136322 /nfs/dbraw/zinc/13/63/22/194136322.db2.gz OKODQORGSNEDLG-OAHLLOKOSA-N 1 0 311.470 1.286 10 0 DDAERO CCOCC[N@@H+]1CCN(CCn2c(C)csc2=O)C[C@@H]1C ZINC000105834882 194143129 /nfs/dbraw/zinc/14/31/29/194143129.db2.gz UADGIXGCARJGQV-ZDUSSCGKSA-N 1 0 313.467 1.261 10 0 DDAERO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccc(O)c(N)c1 ZINC000049554495 183741406 /nfs/dbraw/zinc/74/14/06/183741406.db2.gz CFNPFWMZXADKAF-NSHDSACASA-N 1 0 315.439 1.229 10 0 DDAERO O=C([C@H]1[NH2+]CCc2ccccc21)N(CCO)CC(F)(F)F ZINC000049843608 183760861 /nfs/dbraw/zinc/76/08/61/183760861.db2.gz CIBNDEVFKQXVAX-LBPRGKRZSA-N 1 0 302.296 1.257 10 0 DDAERO CCC[C@@H](C(N)=S)[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000109466610 194267097 /nfs/dbraw/zinc/26/70/97/194267097.db2.gz FYAXIMSITZZVRL-NSHDSACASA-N 1 0 300.472 1.567 10 0 DDAERO CC(C)C[NH2+]Cc1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000052480256 183861542 /nfs/dbraw/zinc/86/15/42/183861542.db2.gz SUKUWUDCHNQGNX-UHFFFAOYSA-N 1 0 310.463 1.663 10 0 DDAERO COc1ccc([C@@H]([NH3+])[C@H]2CCS(=O)(=O)C2)c(Cl)c1OC ZINC000110828502 194362515 /nfs/dbraw/zinc/36/25/15/194362515.db2.gz DRYVQROKJPZNKX-UFBFGSQYSA-N 1 0 319.810 1.792 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)s1 ZINC000111095866 194391140 /nfs/dbraw/zinc/39/11/40/194391140.db2.gz KTDZHAGTRSQKJQ-AXFHLTTASA-N 1 0 300.449 1.921 10 0 DDAERO CCNc1ncccc1S(=O)(=O)N(C)CCC[NH+](C)C ZINC000111151182 194396430 /nfs/dbraw/zinc/39/64/30/194396430.db2.gz JDCYGVQRFAILRY-UHFFFAOYSA-N 1 0 300.428 1.086 10 0 DDAERO CCOC(=O)[C@@H](CC[N@H+](C)CC1CCOCC1)NC(C)C ZINC000111170473 194398565 /nfs/dbraw/zinc/39/85/65/194398565.db2.gz LHGXZKUKPIEGDS-OAHLLOKOSA-N 1 0 300.443 1.665 10 0 DDAERO CCC[NH2+][C@](C)(CCC[N@H+](C)CC1CCOCC1)C(=O)[O-] ZINC000111170592 194398701 /nfs/dbraw/zinc/39/87/01/194398701.db2.gz WIIITBUAONVULW-MRXNPFEDSA-N 1 0 300.443 1.968 10 0 DDAERO CCOC(=O)[C@@](C)(C[N@H+](C)CC1CCOCC1)NC(C)C ZINC000111170571 194398704 /nfs/dbraw/zinc/39/87/04/194398704.db2.gz RXMXBKZJHZCZGP-MRXNPFEDSA-N 1 0 300.443 1.665 10 0 DDAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000061231222 184166890 /nfs/dbraw/zinc/16/68/90/184166890.db2.gz RPDDMTCJZGPODP-SECBINFHSA-N 1 0 318.826 1.928 10 0 DDAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 ZINC000061271239 184167270 /nfs/dbraw/zinc/16/72/70/184167270.db2.gz XDECRLSNIPUSKW-SECBINFHSA-N 1 0 317.386 1.524 10 0 DDAERO CC[NH2+]C(C)(C)C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000061295133 184167891 /nfs/dbraw/zinc/16/78/91/184167891.db2.gz GGPJWSXUIKDOHI-OLZOCXBDSA-N 1 0 300.468 1.888 10 0 DDAERO C[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(=O)c1ccc(Br)cn1 ZINC000061863877 184190452 /nfs/dbraw/zinc/19/04/52/184190452.db2.gz HGVMXMFRDYEOLO-PTRXPTGYSA-N 1 0 310.195 1.667 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CNc1nc(Cl)nc(-n2cccn2)n1 ZINC000061536817 184172989 /nfs/dbraw/zinc/17/29/89/184172989.db2.gz XZXJJRIFCGZOSG-JTQLQIEISA-N 1 0 307.789 1.607 10 0 DDAERO CC[NH+](CC)C[C@H](C)Nc1nc(Cl)nc(-n2cncn2)n1 ZINC000061541599 184174030 /nfs/dbraw/zinc/17/40/30/184174030.db2.gz ZINLZJKACCMEQS-VIFPVBQESA-N 1 0 310.793 1.248 10 0 DDAERO Cc1cc(C)c(C(N)=[NH2+])c(Sc2n[nH]c(=O)n2C2CC2)n1 ZINC000061595646 184176431 /nfs/dbraw/zinc/17/64/31/184176431.db2.gz YIUKHZDSYUVSEO-UHFFFAOYSA-N 1 0 304.379 1.353 10 0 DDAERO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cc(N)c(F)cc1F ZINC000061642494 184180505 /nfs/dbraw/zinc/18/05/05/184180505.db2.gz LLRWAGBMQGIHNZ-SECBINFHSA-N 1 0 319.377 1.262 10 0 DDAERO C[NH+](C)C[C@@H]1CCCN1c1nc(Cl)nc(-n2cccn2)n1 ZINC000061654790 184181009 /nfs/dbraw/zinc/18/10/09/184181009.db2.gz HGYXWLIIQIEIHG-JTQLQIEISA-N 1 0 307.789 1.241 10 0 DDAERO C[NH2+][C@H]1CCC2(C[C@@H]1S(=O)(=O)c1ccccc1)OCCO2 ZINC000061702797 184184137 /nfs/dbraw/zinc/18/41/37/184184137.db2.gz GWSAFHDEQJLUBY-KBPBESRZSA-N 1 0 311.403 1.344 10 0 DDAERO C[NH2+]Cc1nc(CN2CCN(CC(F)(F)F)CC2)cs1 ZINC000061948451 184198074 /nfs/dbraw/zinc/19/80/74/184198074.db2.gz WHKRUQGEYBZGHK-UHFFFAOYSA-N 1 0 308.373 1.542 10 0 DDAERO NC(=O)[C@@]1(Nc2cccc(Br)c2)CC[N@@H+](C2CC2)C1 ZINC000061991022 184199743 /nfs/dbraw/zinc/19/97/43/184199743.db2.gz XJZJQAGUUQRGHA-CQSZACIVSA-N 1 0 324.222 1.953 10 0 DDAERO C[C@H]1CC[C@@H](CNC(=O)c2cccc(S(C)(=O)=O)c2)C[NH2+]1 ZINC000062036698 184202743 /nfs/dbraw/zinc/20/27/43/184202743.db2.gz WBRGIBQDEYKDPS-NWDGAFQWSA-N 1 0 310.419 1.208 10 0 DDAERO C[C@H]1CC[C@@H](CNC(=O)c2ccc(S(C)(=O)=O)cc2)C[NH2+]1 ZINC000062036692 184202749 /nfs/dbraw/zinc/20/27/49/184202749.db2.gz MSMQVRDTIIQCHP-NWDGAFQWSA-N 1 0 310.419 1.208 10 0 DDAERO C[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)C1CC[NH2+]CC1 ZINC000062037929 184202812 /nfs/dbraw/zinc/20/28/12/184202812.db2.gz 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/nfs/dbraw/zinc/25/22/11/184252211.db2.gz JOBPUCAAESYWCP-UHFFFAOYSA-N 1 0 312.439 1.605 10 0 DDAERO CC(C)C[N@@H+]1CCO[C@@H](CSc2nnc(N)n2C(C)C)C1 ZINC000062801234 184253809 /nfs/dbraw/zinc/25/38/09/184253809.db2.gz AQGFKTZFXOHVJW-GFCCVEGCSA-N 1 0 313.471 1.890 10 0 DDAERO COc1ccc(S(=O)(=O)NOCC[NH+]2CCCC2)cc1 ZINC000062578377 184244222 /nfs/dbraw/zinc/24/42/22/184244222.db2.gz TYCJTAFISGEKOR-UHFFFAOYSA-N 1 0 300.380 1.001 10 0 DDAERO CC(C)[NH2+][C@H](CCSc1nnc2n1CCCCC2)C(N)=O ZINC000062599385 184244806 /nfs/dbraw/zinc/24/48/06/184244806.db2.gz GMNAWVYBRNPOEV-LLVKDONJSA-N 1 0 311.455 1.339 10 0 DDAERO O=S1(=O)CC[C@H](NC2=[NH+][C@H](Cc3ccccc3)CS2)C1 ZINC000063220200 184279304 /nfs/dbraw/zinc/27/93/04/184279304.db2.gz BRRHDUJSDPZSPJ-QWHCGFSZSA-N 1 0 310.444 1.477 10 0 DDAERO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(N)cs2)C1 ZINC000062975698 184263403 /nfs/dbraw/zinc/26/34/03/184263403.db2.gz PRDARGUBZYHPTP-NSHDSACASA-N 1 0 303.453 1.435 10 0 DDAERO NC(=S)c1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1 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O=C(NC[C@H]1C[NH2+]C[C@H]1O)Nc1cc(Cl)cc(Cl)c1 ZINC000414673089 224370789 /nfs/dbraw/zinc/37/07/89/224370789.db2.gz BOTYUEJEHBHIJG-RDDDGLTNSA-N 1 0 304.177 1.695 10 0 DDAERO COC(=O)CSc1cncc(NC[C@H]2CCC[N@H+](C)C2)n1 ZINC000302242538 533583085 /nfs/dbraw/zinc/58/30/85/533583085.db2.gz YOONZXWKTVCPEF-LLVKDONJSA-N 1 0 310.423 1.495 10 0 DDAERO Cc1cc2c(cc1S(=O)(=O)N[C@@H]1CCC[NH2+][C@@H]1C)OCO2 ZINC000261708580 292012543 /nfs/dbraw/zinc/01/25/43/292012543.db2.gz PKBNLIYUHLRNQI-GHMZBOCLSA-N 1 0 312.391 1.143 10 0 DDAERO C[C@@H]1CCN(S(=O)(=O)c2cccc3ncccc32)[C@@H](C[NH3+])C1 ZINC000262544623 296562047 /nfs/dbraw/zinc/56/20/47/296562047.db2.gz RPWFDKZAHPSFQZ-CHWSQXEVSA-N 1 0 319.430 1.983 10 0 DDAERO O=S(=O)(c1cccnc1N1CCC[NH2+]CC1)N1CCCCC1 ZINC000070458384 406816460 /nfs/dbraw/zinc/81/64/60/406816460.db2.gz FWPYEWDPLGTOOE-UHFFFAOYSA-N 1 0 324.450 1.056 10 0 DDAERO CCCCOC[C@H](O)C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000033869895 406962955 /nfs/dbraw/zinc/96/29/55/406962955.db2.gz 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DDAERO Cc1cccc(N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000262101485 407740845 /nfs/dbraw/zinc/74/08/45/407740845.db2.gz IUEZKXUZOFBZOE-GJZGRUSLSA-N 1 0 302.422 1.475 10 0 DDAERO COc1c(C)cc(C)cc1S(=O)(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000262120003 407745789 /nfs/dbraw/zinc/74/57/89/407745789.db2.gz VNVAGKFSARJXGR-IHRRRGAJSA-N 1 0 324.446 1.670 10 0 DDAERO CCCCCNC(=O)C1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000236747515 407767602 /nfs/dbraw/zinc/76/76/02/407767602.db2.gz HIUSIMRLTJSXOF-LSDHHAIUSA-N 1 0 309.454 1.659 10 0 DDAERO CCOc1ccnc(N2CCN(CC[NH+]3CCCCC3)CC2)n1 ZINC000132289721 407777688 /nfs/dbraw/zinc/77/76/88/407777688.db2.gz POKGDPQRCRJCGG-UHFFFAOYSA-N 1 0 319.453 1.483 10 0 DDAERO Cc1[nH]c2ccccc2c1CC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116791999 407779053 /nfs/dbraw/zinc/77/90/53/407779053.db2.gz FBBIYOLIUQHIGV-AWEZNQCLSA-N 1 0 315.417 1.808 10 0 DDAERO Cc1ccc2cc(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)[nH]c2c1 ZINC000116792671 407779091 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CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCOCCCOC)C1 ZINC000179596626 407812071 /nfs/dbraw/zinc/81/20/71/407812071.db2.gz KALIXGJCEUTAMK-CQSZACIVSA-N 1 0 301.431 1.165 10 0 DDAERO Cc1ccccc1O[C@H](C)CNC(=O)C1(C[NH3+])CCOCC1 ZINC000262359303 407812547 /nfs/dbraw/zinc/81/25/47/407812547.db2.gz VBMHAQWTLURKDG-CQSZACIVSA-N 1 0 306.406 1.634 10 0 DDAERO CC[C@H]1CN(C(=O)Cc2cccc(OC)c2)CC[N@@H+]1CCOC ZINC000117308556 407826880 /nfs/dbraw/zinc/82/68/80/407826880.db2.gz UUHWMUYFPGTREF-INIZCTEOSA-N 1 0 320.433 1.807 10 0 DDAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2nc(CN3CCOCC3)cs2)C1 ZINC000237970901 407859775 /nfs/dbraw/zinc/85/97/75/407859775.db2.gz IDEZYFMPTPWZAX-WDEREUQCSA-N 1 0 310.423 1.041 10 0 DDAERO CC(C)CNC(=O)[C@H](C)N1CCC[C@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000262532147 407860285 /nfs/dbraw/zinc/86/02/85/407860285.db2.gz PJFGDDDFMKLGOL-KBPBESRZSA-N 1 0 313.442 1.018 10 0 DDAERO Cc1cnn(CCNC(=O)c2ccccc2OCC[NH+](C)C)c1 ZINC000117811499 407861169 /nfs/dbraw/zinc/86/11/69/407861169.db2.gz JPSIPEZMMAEAJK-UHFFFAOYSA-N 1 0 316.405 1.562 10 0 DDAERO COC(=O)c1sccc1NC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262554199 407864346 /nfs/dbraw/zinc/86/43/46/407864346.db2.gz SZIXFPSJCMGBGM-GARJFASQSA-N 1 0 323.418 1.142 10 0 DDAERO Cc1cnn(CCNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000117816017 407864410 /nfs/dbraw/zinc/86/44/10/407864410.db2.gz GMZMPJBLCHHCDN-MRXNPFEDSA-N 1 0 300.406 1.481 10 0 DDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccnc(OC2CCOCC2)c1 ZINC000262693104 407900449 /nfs/dbraw/zinc/90/04/49/407900449.db2.gz BNIASGYFFDWHKO-MLGOLLRUSA-N 1 0 321.421 1.629 10 0 DDAERO Cn1cc([C@@H]2CCC[N@@H+]2CCCNC(=O)C(F)(F)F)cn1 ZINC000180609867 407903214 /nfs/dbraw/zinc/90/32/14/407903214.db2.gz OCCWKCYOHFUREP-NSHDSACASA-N 1 0 304.316 1.626 10 0 DDAERO COc1ccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c(C)c1 ZINC000118816433 407947516 /nfs/dbraw/zinc/94/75/16/407947516.db2.gz WUBBXGDEDPWBPV-AWEZNQCLSA-N 1 0 307.394 1.798 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(Cc2ccc(C(=O)OC)cc2)CC1 ZINC000118858440 407958192 /nfs/dbraw/zinc/95/81/92/407958192.db2.gz JMGGUZYYQGKCNI-MRXNPFEDSA-N 1 0 306.406 1.362 10 0 DDAERO COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000262773918 407924286 /nfs/dbraw/zinc/92/42/86/407924286.db2.gz MUUWTPHAKUJZTG-KOLCDFICSA-N 1 0 318.826 1.767 10 0 DDAERO CCc1n[nH]c(=O)c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1CC ZINC000135561919 408030474 /nfs/dbraw/zinc/03/04/74/408030474.db2.gz GUVBPCUNMFPFRP-NWDGAFQWSA-N 1 0 318.421 1.203 10 0 DDAERO Cc1ccc(NC(=O)c2nc([C@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263167119 408045753 /nfs/dbraw/zinc/04/57/53/408045753.db2.gz FHCRLIHYWDASQB-GFCCVEGCSA-N 1 0 301.350 1.206 10 0 DDAERO CCOc1cc(CNC[C@@H]2C[NH2+]C[C@H]2O)ccc1OC(F)F ZINC000263177645 408047411 /nfs/dbraw/zinc/04/74/11/408047411.db2.gz GHZNFPUMESYRMU-VXGBXAGGSA-N 1 0 316.348 1.357 10 0 DDAERO CCc1nn(C)c(CC)c1CN1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000245713046 408050498 /nfs/dbraw/zinc/05/04/98/408050498.db2.gz GIDMPSICJQVTTF-LSDHHAIUSA-N 1 0 322.497 1.822 10 0 DDAERO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC(F)(F)CN1 ZINC000263017087 408004613 /nfs/dbraw/zinc/00/46/13/408004613.db2.gz QLVLFIOITCHCNL-GJZGRUSLSA-N 1 0 323.387 1.764 10 0 DDAERO Cc1ccc(N2CC[C@H]([NH2+][C@H]3CCc4ncnn4C3)C2=O)cc1 ZINC000119224194 408018182 /nfs/dbraw/zinc/01/81/82/408018182.db2.gz WQSUIGHCVVVXGT-ZFWWWQNUSA-N 1 0 311.389 1.296 10 0 DDAERO Cc1ccc(N2CC[C@H]([NH2+][C@@H]3CCc4ncnn4C3)C2=O)cc1 ZINC000119223955 408019492 /nfs/dbraw/zinc/01/94/92/408019492.db2.gz WQSUIGHCVVVXGT-HIFRSBDPSA-N 1 0 311.389 1.296 10 0 DDAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccc(Cn3ccnc3)cc2)n1 ZINC000263211780 408058635 /nfs/dbraw/zinc/05/86/35/408058635.db2.gz KJDYFGRECLBFFT-OAHLLOKOSA-N 1 0 324.388 1.558 10 0 DDAERO Cc1cccc(C)c1OCc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263210868 408058841 /nfs/dbraw/zinc/05/88/41/408058841.db2.gz KGYQEQJXIGTJSW-CYBMUJFWSA-N 1 0 302.378 1.842 10 0 DDAERO CC[C@H]1CN(Cc2ccc(NC(C)=O)cc2)CC[N@@H+]1C[C@H](C)O ZINC000245812065 408070395 /nfs/dbraw/zinc/07/03/95/408070395.db2.gz 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ZINC000262321029 698464425 /nfs/dbraw/zinc/46/44/25/698464425.db2.gz QYNHZULIJGVSHX-LLVKDONJSA-N 1 0 306.362 1.143 10 0 DDAERO Cn1ncc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1Br ZINC000379227176 699058756 /nfs/dbraw/zinc/05/87/56/699058756.db2.gz XHGQVQODJCNTGC-JVHMLUBASA-N 1 0 313.199 1.195 10 0 DDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cc(Br)cnc1F ZINC000700852772 699223272 /nfs/dbraw/zinc/22/32/72/699223272.db2.gz PPPTYBGEHLJCQD-OIBJUYFYSA-N 1 0 316.174 1.854 10 0 DDAERO CCn1cc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cn1 ZINC000702762808 699232412 /nfs/dbraw/zinc/23/24/12/699232412.db2.gz GPLSOWYKSNXDOJ-UONOGXRCSA-N 1 0 324.425 1.220 10 0 DDAERO CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702837974 699233537 /nfs/dbraw/zinc/23/35/37/699233537.db2.gz LNGFLHWRZFTFCQ-UMSGYPCISA-N 1 0 302.415 1.227 10 0 DDAERO Cn1cccc1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702846506 699234454 /nfs/dbraw/zinc/23/44/54/699234454.db2.gz QVIMJAUKUVTJRM-OCCSQVGLSA-N 1 0 309.410 1.343 10 0 DDAERO [NH3+]C[C@@H]1C[C@H](C(=O)NCc2ccccc2Br)CO1 ZINC000713770110 699267133 /nfs/dbraw/zinc/26/71/33/699267133.db2.gz YSRATROILHWCLB-QWRGUYRKSA-N 1 0 313.195 1.429 10 0 DDAERO CN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713858042 699267660 /nfs/dbraw/zinc/26/76/60/699267660.db2.gz NQKHWVWURURWPE-VHSXEESVSA-N 1 0 300.761 1.801 10 0 DDAERO [NH3+]C1CC(CNS(=O)(=O)c2ccccc2Br)C1 ZINC000715096891 699273717 /nfs/dbraw/zinc/27/37/17/699273717.db2.gz OTVHOZBPGHIYFJ-UHFFFAOYSA-N 1 0 319.224 1.465 10 0 DDAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)C12CCC2 ZINC000716708289 699283999 /nfs/dbraw/zinc/28/39/99/699283999.db2.gz ZDZGALJMYHWZLS-TUUUFIMRSA-N 1 0 323.437 1.676 10 0 DDAERO COc1ccc(C[NH2+]C2CC(C(N)=O)C2)c(Br)c1 ZINC000716755234 699284662 /nfs/dbraw/zinc/28/46/62/699284662.db2.gz LSMMMTWWBQPVOV-UHFFFAOYSA-N 1 0 313.195 1.811 10 0 DDAERO CO[C@@H]1CN(CCCS(=O)(=O)C(C)(C)C)[C@@](C)(C[NH3+])C1 ZINC000718727894 699294633 /nfs/dbraw/zinc/29/46/33/699294633.db2.gz KJIAKIZYXBSMBQ-GXTWGEPZSA-N 1 0 306.472 1.028 10 0 DDAERO Cc1nc([C@@H]2C[C@@H](O)[C@@H](C[NH2+]Cc3ccncc3C)C2)n[nH]1 ZINC000828130355 706123875 /nfs/dbraw/zinc/12/38/75/706123875.db2.gz FQSQTRBAZXCVLZ-RRFJBIMHSA-N 1 0 301.394 1.461 10 0 DDAERO Cn1cnc([C@@H]2CN(C(=O)c3cccc(C4CC4)c3)C[C@H]2[NH3+])c1 ZINC000864340778 706141180 /nfs/dbraw/zinc/14/11/80/706141180.db2.gz JPSWTKVOVKZSRJ-HZPDHXFCSA-N 1 0 310.401 1.864 10 0 DDAERO Cc1ccc(CC(=O)N2C[C@H]([NH3+])CC[C@@H]2C(F)(F)F)cn1 ZINC000886038232 708686906 /nfs/dbraw/zinc/68/69/06/708686906.db2.gz MDSDVMYKONTLMK-VXGBXAGGSA-N 1 0 301.312 1.813 10 0 DDAERO Cc1nnc([C@H]2OCC[C@H]2C[NH2+]Cc2ccnn2CC2CC2)[nH]1 ZINC000888101266 709213690 /nfs/dbraw/zinc/21/36/90/709213690.db2.gz ZXSCLISIHJORLR-ZFWWWQNUSA-N 1 0 316.409 1.587 10 0 DDAERO COc1ccc(CN2CCC2)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000095498878 185374563 /nfs/dbraw/zinc/37/45/63/185374563.db2.gz LMYRDNFFCMVWDL-INIZCTEOSA-N 1 0 320.433 1.736 10 0 DDAERO CCCCOC[C@H](O)C[N@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000248659043 282096871 /nfs/dbraw/zinc/09/68/71/282096871.db2.gz UTYARXYJXDRKSB-RBSFLKMASA-N 1 0 321.483 1.452 10 0 DDAERO CC[NH2+][C@@H]1CCOC[C@@H]1Sc1ccc(S(C)(=O)=O)cc1 ZINC000081892336 192333777 /nfs/dbraw/zinc/33/37/77/192333777.db2.gz RLQZICBYVWXPHY-KGLIPLIRSA-N 1 0 315.460 1.949 10 0 DDAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)CS(C)(=O)=O)cc1OC ZINC000081900776 192335567 /nfs/dbraw/zinc/33/55/67/192335567.db2.gz INWWBBDIGZIALZ-WDEREUQCSA-N 1 0 301.408 1.788 10 0 DDAERO COc1ccc(C)cc1[C@H](O)C[NH2+][C@@H](C)CS(C)(=O)=O ZINC000081902957 192336619 /nfs/dbraw/zinc/33/66/19/192336619.db2.gz PCZUPBHOKKNGKH-WCQYABFASA-N 1 0 301.408 1.060 10 0 DDAERO O=S(=O)(CC[NH2+]C1CC1)c1ccccc1Br ZINC000081932144 192341283 /nfs/dbraw/zinc/34/12/83/192341283.db2.gz NGOQWPJGSQYJMT-UHFFFAOYSA-N 1 0 304.209 1.975 10 0 DDAERO C[NH2+][C@@H](CS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)(C)C ZINC000081935247 192342552 /nfs/dbraw/zinc/34/25/52/192342552.db2.gz WNPGNVFKORRPSJ-AWEZNQCLSA-N 1 0 313.419 1.866 10 0 DDAERO C[C@H](CC[NH3+])CCC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000079119726 185159305 /nfs/dbraw/zinc/15/93/05/185159305.db2.gz OUSPOKBDQPDPLO-LBPRGKRZSA-N 1 0 312.435 1.471 10 0 DDAERO CC[C@H](CC[NH3+])CCC(=O)NCCCOC[C@@H]1CCCO1 ZINC000079211961 185161578 /nfs/dbraw/zinc/16/15/78/185161578.db2.gz STZYPNFVEOPKFB-GJZGRUSLSA-N 1 0 300.443 1.844 10 0 DDAERO O=S1(=O)CCC(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)CC1 ZINC000328607255 231243240 /nfs/dbraw/zinc/24/32/40/231243240.db2.gz LAXQAEJJOSVYKB-HNNXBMFYSA-N 1 0 310.419 1.360 10 0 DDAERO C[C@@H]([NH2+]CCN1CCCS1(=O)=O)c1cc(F)ccc1F ZINC000089519833 539172997 /nfs/dbraw/zinc/17/29/97/539172997.db2.gz LCXNYNSQVSQTLG-SNVBAGLBSA-N 1 0 304.362 1.651 10 0 DDAERO COc1cc([C@@H](C[NH3+])[C@@H](O)C(C)(C)S(C)(=O)=O)ccc1C ZINC000087377783 185223053 /nfs/dbraw/zinc/22/30/53/185223053.db2.gz MXWWEYJTYYBBOK-TZMCWYRMSA-N 1 0 315.435 1.230 10 0 DDAERO CC[C@@H](C[NH3+])C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000087517967 185227402 /nfs/dbraw/zinc/22/74/02/185227402.db2.gz DQNIOQBHTYRJRY-QMMMGPOBSA-N 1 0 306.334 1.606 10 0 DDAERO CC(C)[C@H](C[NH3+])C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000087517974 185227409 /nfs/dbraw/zinc/22/74/09/185227409.db2.gz QHSGUHGWQXWRGY-NSHDSACASA-N 1 0 320.361 1.852 10 0 DDAERO CCN(C(=O)CCC(C)(C)CC[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000087695573 185230730 /nfs/dbraw/zinc/23/07/30/185230730.db2.gz QDSXUUMIIHNELI-LBPRGKRZSA-N 1 0 304.456 1.177 10 0 DDAERO CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1S(=O)(=O)CC(=O)OCC ZINC000081977403 192347819 /nfs/dbraw/zinc/34/78/19/192347819.db2.gz RNNTZYQFZFPGRV-AVGNSLFASA-N 1 0 305.440 1.521 10 0 DDAERO CCn1nc(C)c(Br)c1C[S@@](=O)CCC[NH3+] ZINC000088066887 185238668 /nfs/dbraw/zinc/23/86/68/185238668.db2.gz YLSUZEDJQMFFHZ-MRXNPFEDSA-N 1 0 308.245 1.571 10 0 DDAERO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cccnc2N)CC1 ZINC000088070986 185239023 /nfs/dbraw/zinc/23/90/23/185239023.db2.gz UJWQLCKTXZKKSA-UHFFFAOYSA-N 1 0 312.439 1.159 10 0 DDAERO CC[C@@H]1CN(Cc2ccc(OC)c(C(N)=S)c2)CC[N@@H+]1C ZINC000087832660 185232807 /nfs/dbraw/zinc/23/28/07/185232807.db2.gz ZKMGXLRBVCTNCH-CYBMUJFWSA-N 1 0 307.463 1.855 10 0 DDAERO COc1ccc(C[C@@H]([NH3+])[C@H]2COCCO2)cc1Br ZINC000087857434 185233729 /nfs/dbraw/zinc/23/37/29/185233729.db2.gz QOAJQRBRIXUWSV-DGCLKSJQSA-N 1 0 316.195 1.743 10 0 DDAERO CN1CCC[C@@H](Nc2nc(NN)[nH+]cc2Br)C1 ZINC000087863856 185233767 /nfs/dbraw/zinc/23/37/67/185233767.db2.gz URHXLWHGAQUAEE-SSDOTTSWSA-N 1 0 301.192 1.031 10 0 DDAERO CCC[NH2+][C@@H]1CCCc2c1cnn2[C@@]1(C)CCS(=O)(=O)C1 ZINC000087862186 185233986 /nfs/dbraw/zinc/23/39/86/185233986.db2.gz ITMIWBJNPPSIRK-HIFRSBDPSA-N 1 0 311.451 1.794 10 0 DDAERO NNc1nc(N[C@@H]2CCN(C3CC3)C2)c(Br)c[nH+]1 ZINC000087868060 185234105 /nfs/dbraw/zinc/23/41/05/185234105.db2.gz CPXHMFHNVFAVLN-SSDOTTSWSA-N 1 0 313.203 1.173 10 0 DDAERO CC(C)OCCCCNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000182793098 539240377 /nfs/dbraw/zinc/24/03/77/539240377.db2.gz UFGHXGRUZLDLCY-HNNXBMFYSA-N 1 0 315.458 1.338 10 0 DDAERO CCN(CCC[NH2+]CCc1ccc(OC)cc1)S(C)(=O)=O ZINC000088101356 185239683 /nfs/dbraw/zinc/23/96/83/185239683.db2.gz FIQKPLVGHNEDMO-UHFFFAOYSA-N 1 0 314.451 1.499 10 0 DDAERO CCOC(=O)CS(=O)(=O)Cc1cc([C@H](C)[NH3+])ccc1OC ZINC000081977088 192348283 /nfs/dbraw/zinc/34/82/83/192348283.db2.gz XTUXFLARVWOABK-JTQLQIEISA-N 1 0 315.391 1.193 10 0 DDAERO CCc1cccc(C)c1NC(=O)C[NH2+][C@@H](C(=O)NC)C(C)C ZINC000183685001 539242990 /nfs/dbraw/zinc/24/29/90/539242990.db2.gz KTHICJJEKZATQU-OAHLLOKOSA-N 1 0 305.422 1.856 10 0 DDAERO CC[C@H](C[NH3+])S(=O)(=O)N(C)[C@@H](C)Cc1ccccc1OC ZINC000088474408 185252406 /nfs/dbraw/zinc/25/24/06/185252406.db2.gz KJLNSAHIYQLASV-GXTWGEPZSA-N 1 0 314.451 1.625 10 0 DDAERO C[C@@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC23CCCCC3)C1 ZINC000088396195 185248486 /nfs/dbraw/zinc/24/84/86/185248486.db2.gz ASHXIJMYAUGSLX-CQSZACIVSA-N 1 0 315.483 1.571 10 0 DDAERO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]2n2ccnc2)o1 ZINC000088539145 185255306 /nfs/dbraw/zinc/25/53/06/185255306.db2.gz RDJLYOCGMGMHMM-NWDGAFQWSA-N 1 0 310.379 1.007 10 0 DDAERO COC[C@@H](C)CNS(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000088543100 185256275 /nfs/dbraw/zinc/25/62/75/185256275.db2.gz IQNTUKGLGSGUIA-NSHDSACASA-N 1 0 318.439 1.729 10 0 DDAERO C[C@@H]1C[NH2+][C@@](C)(c2ccccc2)CN1[C@H]1C=CS(=O)(=O)C1 ZINC000088860307 185267442 /nfs/dbraw/zinc/26/74/42/185267442.db2.gz VTHSCCHWXMRVKS-VNQPRFMTSA-N 1 0 306.431 1.506 10 0 DDAERO CC(C)CN(CC[NH+](C)C)S(=O)(=O)c1ccccc1CO ZINC000088892500 185269867 /nfs/dbraw/zinc/26/98/67/185269867.db2.gz QFIAVPOMBHWZOY-UHFFFAOYSA-N 1 0 314.451 1.387 10 0 DDAERO CC[NH2+][C@@H](C)CCS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000081990860 192350981 /nfs/dbraw/zinc/35/09/81/192350981.db2.gz YURJSBYGCXYMBL-NSHDSACASA-N 1 0 319.448 1.252 10 0 DDAERO Nc1[nH+]c2ccc(Br)cc2n1[C@@H]1CCC(=O)NC1=O ZINC000090018293 185278296 /nfs/dbraw/zinc/27/82/96/185278296.db2.gz CXAGAXQUVFKTSM-MRVPVSSYSA-N 1 0 323.150 1.359 10 0 DDAERO CC[NH2+][C@@H](C[S@@](=O)CCS(C)(=O)=O)c1ccccc1C ZINC000082006764 192353081 /nfs/dbraw/zinc/35/30/81/192353081.db2.gz NOENGYPAYTTYPR-IFXJQAMLSA-N 1 0 317.476 1.439 10 0 DDAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1C ZINC000090313113 185290685 /nfs/dbraw/zinc/29/06/85/185290685.db2.gz UVICLLWTKHLXFR-LOWVWBTDSA-N 1 0 318.826 1.431 10 0 DDAERO O=S(=O)(c1cccc2cnccc21)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090321879 185290900 /nfs/dbraw/zinc/29/09/00/185290900.db2.gz LJYZUFHIBICCTN-CHWSQXEVSA-N 1 0 303.387 1.075 10 0 DDAERO O=S(=O)(c1c(Cl)cccc1Cl)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090322039 185290981 /nfs/dbraw/zinc/29/09/81/185290981.db2.gz LKLYFBTYNLNCNZ-IUCAKERBSA-N 1 0 321.229 1.833 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1ccc(F)cc1C ZINC000090331647 185291277 /nfs/dbraw/zinc/29/12/77/185291277.db2.gz VANMVWVEXDQGCS-MRVWCRGKSA-N 1 0 312.410 1.753 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1cc(F)cc(F)c1 ZINC000090336773 185291961 /nfs/dbraw/zinc/29/19/61/185291961.db2.gz WVICBJCWGBSSNH-NOZJJQNGSA-N 1 0 316.373 1.583 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000090431630 185295855 /nfs/dbraw/zinc/29/58/55/185295855.db2.gz WTAMLTAHVISWRU-GHMZBOCLSA-N 1 0 304.268 1.758 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000090434094 185296156 /nfs/dbraw/zinc/29/61/56/185296156.db2.gz RENFLRMJSZSQSG-QWHCGFSZSA-N 1 0 303.387 1.983 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cc(Br)ccc1C ZINC000090433741 185296271 /nfs/dbraw/zinc/29/62/71/185296271.db2.gz ANQGYWQOBQPZKH-JQWIXIFHSA-N 1 0 313.195 1.930 10 0 DDAERO CCC[NH2+][C@@H]1c2ccccc2C[C@H]1S(=O)(=O)CC(=O)OC ZINC000082004721 192353746 /nfs/dbraw/zinc/35/37/46/192353746.db2.gz XZJSTGCHRVKCJD-UKRRQHHQSA-N 1 0 311.403 1.240 10 0 DDAERO CNC(=O)c1ccc(Cl)c(NC(=O)[C@]2(C)COC[C@H]2[NH3+])c1 ZINC000090587806 185305226 /nfs/dbraw/zinc/30/52/26/185305226.db2.gz UJCYLCPSPZUDHQ-BXUZGUMPSA-N 1 0 311.769 1.002 10 0 DDAERO C[C@@]1(CN2CCN(c3ccccc3Cl)CC2)COC[C@H]1[NH3+] ZINC000090606505 185306521 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ZINC000591425946 355308013 /nfs/dbraw/zinc/30/80/13/355308013.db2.gz HDTIAXOABCCFLK-UHFFFAOYSA-N 1 0 305.163 1.520 10 0 DDAERO CC[C@H](CC[NH3+])N1CCCN(S(=O)(=O)CC(C)(C)C)CC1 ZINC000080185664 192009968 /nfs/dbraw/zinc/00/99/68/192009968.db2.gz BJDGTXKNFMMEHW-CQSZACIVSA-N 1 0 319.515 1.497 10 0 DDAERO Cc1ccc(C[C@H](C)NS(=O)(=O)C[C@H]2CCC[NH2+]2)s1 ZINC000080248157 192017135 /nfs/dbraw/zinc/01/71/35/192017135.db2.gz LUHSYBDHJLNDEY-CMPLNLGQSA-N 1 0 302.465 1.659 10 0 DDAERO [NH3+]C[C@@H](c1ccccc1Br)N1CCn2cnnc2C1 ZINC000081530318 192284375 /nfs/dbraw/zinc/28/43/75/192284375.db2.gz BHALDSGWNLXSIS-LBPRGKRZSA-N 1 0 322.210 1.556 10 0 DDAERO C[NH2+][C@H](CN1CCn2c(nnc2C(F)(F)F)C1)C(C)(C)C ZINC000081533510 192284560 /nfs/dbraw/zinc/28/45/60/192284560.db2.gz JBYACHIHTLJGGC-SECBINFHSA-N 1 0 305.348 1.747 10 0 DDAERO CCCCOCCOC[C@H](O)C[NH2+]CCCC(=O)OCC ZINC000081545874 192287614 /nfs/dbraw/zinc/28/76/14/192287614.db2.gz QTPXVVSCPITKKB-CQSZACIVSA-N 1 0 305.415 1.114 10 0 DDAERO 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OPQJEYRMWPVEHJ-ZDUSSCGKSA-N 1 0 314.455 1.446 10 0 DDAERO C[NH2+]Cc1ccc(CS(=O)(=O)N(C)[C@H]2CCSC2)cc1 ZINC000088954175 192667214 /nfs/dbraw/zinc/66/72/14/192667214.db2.gz XAVNXRVRYBZTER-AWEZNQCLSA-N 1 0 314.476 1.673 10 0 DDAERO CN(CC1CCCCC1)S(=O)(=O)N1CCCC[C@@H]1C[NH3+] ZINC000088995517 192686972 /nfs/dbraw/zinc/68/69/72/192686972.db2.gz GRLJXMKHGMWXAT-CQSZACIVSA-N 1 0 303.472 1.557 10 0 DDAERO CCCCN(C1CC1)S(=O)(=O)N(C)CCC[NH2+]C1CC1 ZINC000088995283 192687061 /nfs/dbraw/zinc/68/70/61/192687061.db2.gz GBPNHDAWAWNLHM-UHFFFAOYSA-N 1 0 303.472 1.570 10 0 DDAERO C[NH2+]CCc1ccc(S(=O)(=O)NC(C2CC2)C2CC2)cc1 ZINC000088999005 192691005 /nfs/dbraw/zinc/69/10/05/192691005.db2.gz QDGNYQCDLZSVKD-UHFFFAOYSA-N 1 0 308.447 1.915 10 0 DDAERO C[NH2+]CCCn1cc(S(=O)(=O)N(CC(C)C)C(C)C)cn1 ZINC000089005377 192692013 /nfs/dbraw/zinc/69/20/13/192692013.db2.gz MWOLOPZCICHPFL-UHFFFAOYSA-N 1 0 316.471 1.548 10 0 DDAERO COCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cc1 ZINC000180591873 199181120 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CCC[C@@H](C(=O)Nc1cc(Br)c[nH]c1=O)[NH+](C)C ZINC000094056687 193341325 /nfs/dbraw/zinc/34/13/25/193341325.db2.gz VFKRCZZNCCFLOU-JTQLQIEISA-N 1 0 316.199 1.806 10 0 DDAERO Cc1cc(Br)cnc1N1CC(N2CC[NH2+]CC2)C1 ZINC000094051477 193341977 /nfs/dbraw/zinc/34/19/77/193341977.db2.gz NCDSIKFGECHPSI-UHFFFAOYSA-N 1 0 311.227 1.246 10 0 DDAERO Cc1cc(Cl)c(S(=O)(=O)NC2CC[NH+](C)CC2)cc1N ZINC000094637087 193386869 /nfs/dbraw/zinc/38/68/69/193386869.db2.gz GOLAOZOCIXCICU-UHFFFAOYSA-N 1 0 317.842 1.603 10 0 DDAERO CN1C(=O)CC[C@H]([NH2+][C@@H]2CCOC3(CCSCC3)C2)C1=O ZINC000094374650 193366985 /nfs/dbraw/zinc/36/69/85/193366985.db2.gz UIMHXVGIOSFPBW-NEPJUHHUSA-N 1 0 312.435 1.168 10 0 DDAERO [NH3+]Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)o1 ZINC000094568305 193380831 /nfs/dbraw/zinc/38/08/31/193380831.db2.gz PKEUTPYOFPQCRV-DGCLKSJQSA-N 1 0 310.419 1.865 10 0 DDAERO Brc1ccc2nc(N3C[C@@H]4C[NH2+]C[C@H]4C3)nn2c1 ZINC000094609051 193384622 /nfs/dbraw/zinc/38/46/22/193384622.db2.gz DUSPZWVXZGLBHD-IUCAKERBSA-N 1 0 308.183 1.147 10 0 DDAERO CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000094749459 193395875 /nfs/dbraw/zinc/39/58/75/193395875.db2.gz XIAMMJKVPABIGI-KGLIPLIRSA-N 1 0 310.419 1.936 10 0 DDAERO Nc1cc(N)[nH+]c(SCc2nc3ccccc3[nH]c2=O)n1 ZINC000019855012 182157128 /nfs/dbraw/zinc/15/71/28/182157128.db2.gz UGEYCYWZJIDNFS-UHFFFAOYSA-N 1 0 300.347 1.170 10 0 DDAERO COc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH3+])cc1Cl ZINC000020182677 182195079 /nfs/dbraw/zinc/19/50/79/182195079.db2.gz NJRFSMKHYUXTFK-VIFPVBQESA-N 1 0 304.799 1.460 10 0 DDAERO COc1cccc(C[NH2+]C[C@H](C)O)c1OCC(=O)NC(C)(C)C ZINC000020872641 182250877 /nfs/dbraw/zinc/25/08/77/182250877.db2.gz PIPYHFLVDPBRSV-LBPRGKRZSA-N 1 0 324.421 1.459 10 0 DDAERO C[NH2+]CCCNCc1c(OCC(N)=O)ccc2ccccc21 ZINC000020872857 182251093 /nfs/dbraw/zinc/25/10/93/182251093.db2.gz STSOYIBTKWIQGH-UHFFFAOYSA-N 1 0 301.390 1.403 10 0 DDAERO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C[NH2+][C@H](C)C1CC1 ZINC000035162145 182758110 /nfs/dbraw/zinc/75/81/10/182758110.db2.gz HWXPYDOLEGRTIM-QMTHXVAHSA-N 1 0 311.451 1.748 10 0 DDAERO [NH3+]CC1CN(C2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000039952175 183023862 /nfs/dbraw/zinc/02/38/62/183023862.db2.gz MEEVJYVYMSJHKM-UHFFFAOYSA-N 1 0 303.406 1.678 10 0 DDAERO CC1CC[NH+](CCNS(=O)(=O)c2cc(F)ccc2N)CC1 ZINC000040771206 183131801 /nfs/dbraw/zinc/13/18/01/183131801.db2.gz FZVSLJPEHYDNGN-UHFFFAOYSA-N 1 0 315.414 1.418 10 0 DDAERO C[C@@H](NC(=O)CNC(=O)C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000040807582 183136683 /nfs/dbraw/zinc/13/66/83/183136683.db2.gz YGYINLYHGSGNBW-SSDOTTSWSA-N 1 0 304.177 1.246 10 0 DDAERO Ic1ccc(C[NH2+]CCn2ccnc2)o1 ZINC000041050962 183159103 /nfs/dbraw/zinc/15/91/03/183159103.db2.gz MWZIWDQWILCXRB-UHFFFAOYSA-N 1 0 317.130 1.871 10 0 DDAERO CS(=O)(=O)c1ccc(F)c(NC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000042167161 183238041 /nfs/dbraw/zinc/23/80/41/183238041.db2.gz ZWJPGZPCYRDVFK-SECBINFHSA-N 1 0 300.355 1.310 10 0 DDAERO O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000042166659 183238273 /nfs/dbraw/zinc/23/82/73/183238273.db2.gz SQOJRHAHILRZLI-JTQLQIEISA-N 1 0 318.345 1.764 10 0 DDAERO CC[NH2+]C[C@@H](O)CN(C)Cc1ccccc1Br ZINC000042441059 183270002 /nfs/dbraw/zinc/27/00/02/183270002.db2.gz JAYZHNKMJIDNMJ-GFCCVEGCSA-N 1 0 301.228 1.851 10 0 DDAERO COCCN(CC(C)C)S(=O)(=O)Cc1ccccc1C[NH3+] ZINC000042370690 183260162 /nfs/dbraw/zinc/26/01/62/183260162.db2.gz LBAZLAVQDTWDBM-UHFFFAOYSA-N 1 0 314.451 1.580 10 0 DDAERO CC(C)[C@@H](CNC(=O)Cc1cccs1)[NH+]1CCN(C)CC1 ZINC000042582214 183286629 /nfs/dbraw/zinc/28/66/29/183286629.db2.gz WBYNXNZGICATSG-OAHLLOKOSA-N 1 0 309.479 1.679 10 0 DDAERO CCN(CC(=O)NC)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042953417 183322221 /nfs/dbraw/zinc/32/22/21/183322221.db2.gz XFDXOQJSCOPVIL-GFCCVEGCSA-N 1 0 314.227 1.517 10 0 DDAERO C[C@H]1c2ccsc2CCN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000042782416 183309372 /nfs/dbraw/zinc/30/93/72/183309372.db2.gz ZSQKQJAJJHCRPW-NSHDSACASA-N 1 0 314.476 1.997 10 0 DDAERO CC[NH2+][C@H](c1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000043300928 183352683 /nfs/dbraw/zinc/35/26/83/183352683.db2.gz PVPVEVGDPILJAF-NHYWBVRUSA-N 1 0 313.419 1.789 10 0 DDAERO COc1ccc(Cl)c(NS(=O)(=O)C2CC[NH2+]CC2)c1 ZINC000043318871 183354085 /nfs/dbraw/zinc/35/40/85/183354085.db2.gz YGOPTYONCSJHRV-UHFFFAOYSA-N 1 0 304.799 1.842 10 0 DDAERO C[C@H]([NH3+])[C@@H](Oc1ccc(S(C)(=O)=O)cc1)c1ccccn1 ZINC000043343866 183355970 /nfs/dbraw/zinc/35/59/70/183355970.db2.gz MFJLVNXIBJNGJR-XHDPSFHLSA-N 1 0 306.387 1.952 10 0 DDAERO C[C@H]([NH3+])[C@H](Oc1ccc(S(C)(=O)=O)cc1)c1ccncc1 ZINC000043356230 183356746 /nfs/dbraw/zinc/35/67/46/183356746.db2.gz BZNNLRROQCICBZ-NHYWBVRUSA-N 1 0 306.387 1.952 10 0 DDAERO O=C(CSc1ccc(C(F)(F)F)cn1)N1CC[NH2+]CC1 ZINC000043402915 183359037 /nfs/dbraw/zinc/35/90/37/183359037.db2.gz FIDMKVDLVZBUQZ-UHFFFAOYSA-N 1 0 305.325 1.624 10 0 DDAERO CCN(C(=O)[C@@H](C)[NH2+][C@@H]1CCc2ncnn2C1)c1ccccc1 ZINC000105871149 194151869 /nfs/dbraw/zinc/15/18/69/194151869.db2.gz VHNVSJQZNYPMRR-ZIAGYGMSSA-N 1 0 313.405 1.624 10 0 DDAERO O=C(C[N@@H+]1CCC[C@@H](Cn2cncn2)C1)Nc1cccc(F)c1 ZINC000105882908 194155943 /nfs/dbraw/zinc/15/59/43/194155943.db2.gz MTSXNFQEEBEYGB-CYBMUJFWSA-N 1 0 317.368 1.768 10 0 DDAERO C[NH+](C)C[C@@H]1CN(CCC(=O)Nc2cccc(F)c2)CCO1 ZINC000105904384 194165915 /nfs/dbraw/zinc/16/59/15/194165915.db2.gz DGGXUSPJJTXIKC-OAHLLOKOSA-N 1 0 309.385 1.417 10 0 DDAERO COCC[N@@H+]1CCN(Cc2ccc(F)cc2C(=O)OC)C[C@H]1C ZINC000106107065 194186445 /nfs/dbraw/zinc/18/64/45/194186445.db2.gz FATREXGFUBRYPS-CYBMUJFWSA-N 1 0 324.396 1.765 10 0 DDAERO C[C@H]1CCC[C@@](C[NH3+])(N(C)S(=O)(=O)N2CCCC[C@@H]2C)C1 ZINC000050092900 183772493 /nfs/dbraw/zinc/77/24/93/183772493.db2.gz VIUCKKXSCFIODC-SOUVJXGZSA-N 1 0 317.499 1.945 10 0 DDAERO C[C@@H]1CCC[C@](C[NH3+])(N(C)S(=O)(=O)C2CCOCC2)C1 ZINC000050199022 183777274 /nfs/dbraw/zinc/77/72/74/183777274.db2.gz RUYFDVNCQSEXMX-OCCSQVGLSA-N 1 0 304.456 1.335 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN(C(=O)c2cccc(C)n2)CC1 ZINC000109461423 194265423 /nfs/dbraw/zinc/26/54/23/194265423.db2.gz PPSUKUBOIYZVAB-CYBMUJFWSA-N 1 0 306.435 1.213 10 0 DDAERO CCCCOC(=O)CN1CC[NH+]([C@@H](CCC)C(N)=S)CC1 ZINC000109470051 194266658 /nfs/dbraw/zinc/26/66/58/194266658.db2.gz JJHOBHUFOGACFX-ZDUSSCGKSA-N 1 0 315.483 1.402 10 0 DDAERO Cn1c(C[NH3+])nnc1SCc1cn2cc(Cl)ccc2n1 ZINC000110909456 194369074 /nfs/dbraw/zinc/36/90/74/194369074.db2.gz TYDOEWCIMMCRDG-UHFFFAOYSA-N 1 0 308.798 1.867 10 0 DDAERO C[N@@H+]1CCC[C@@H](CNc2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000054242554 183930473 /nfs/dbraw/zinc/93/04/73/183930473.db2.gz QIYJZWLVGMOWLI-JTQLQIEISA-N 1 0 317.842 1.741 10 0 DDAERO CC(C)[N@@H+](CC(N)=O)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000057951142 184064114 /nfs/dbraw/zinc/06/41/14/184064114.db2.gz AZLKQYBOOYDYCH-CQSZACIVSA-N 1 0 314.813 1.413 10 0 DDAERO C[NH2+][C@@](C)(CCCCSc1nnc2ccccn21)C(N)=O ZINC000061408331 184170002 /nfs/dbraw/zinc/17/00/02/184170002.db2.gz ABTOLDSPJPHVCJ-AWEZNQCLSA-N 1 0 307.423 1.455 10 0 DDAERO CC(C)[NH2+][C@@](C)(CCSc1nnc2ccccn21)C(N)=O ZINC000061408510 184170009 /nfs/dbraw/zinc/17/00/09/184170009.db2.gz XCQQUPCVPHEVSV-AWEZNQCLSA-N 1 0 307.423 1.454 10 0 DDAERO C[C@H](C[NH+]1CCCC1)Nc1nc(Cl)nc(-n2cncn2)n1 ZINC000061539158 184172801 /nfs/dbraw/zinc/17/28/01/184172801.db2.gz OZLJVFWDHHWLFZ-SECBINFHSA-N 1 0 308.777 1.002 10 0 DDAERO C[NH+](C)C[C@H]1CCCN1CCOc1ccccc1C(N)=S ZINC000061644334 184180344 /nfs/dbraw/zinc/18/03/44/184180344.db2.gz HLJNYXLLGRVYPL-CYBMUJFWSA-N 1 0 307.463 1.726 10 0 DDAERO CS(=O)(=O)Nc1cc(N[C@H]2CC[N@@H+](C3CC3)C2)ccc1F ZINC000061982316 184199920 /nfs/dbraw/zinc/19/99/20/184199920.db2.gz JJAKXGCTFBHZST-NSHDSACASA-N 1 0 313.398 1.846 10 0 DDAERO C[C@@H](CN[C@@H]1CS(=O)(=O)c2ccccc21)C[NH+]1CCCC1 ZINC000062069506 184204272 /nfs/dbraw/zinc/20/42/72/184204272.db2.gz VYFXVZHYVQIVNW-DZGCQCFKSA-N 1 0 308.447 1.837 10 0 DDAERO Cc1cc(N)ccc1S(=O)(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000062069431 184204304 /nfs/dbraw/zinc/20/43/04/184204304.db2.gz IBZXFEXQROKKMO-LBPRGKRZSA-N 1 0 311.451 1.587 10 0 DDAERO C[C@@H](CNS(=O)(=O)c1cc(F)ccc1N)C[NH+]1CCCC1 ZINC000062069442 184204356 /nfs/dbraw/zinc/20/43/56/184204356.db2.gz WCZDDTWWVOAARV-NSHDSACASA-N 1 0 315.414 1.418 10 0 DDAERO C[C@@H](CNc1cc(N)cc(S(N)(=O)=O)c1)C[NH+]1CCCC1 ZINC000062069823 184204368 /nfs/dbraw/zinc/20/43/68/184204368.db2.gz RARJUPTXEUMAOI-NSHDSACASA-N 1 0 312.439 1.060 10 0 DDAERO CCC[C@H]([NH2+]CC)[C@H](CC)N1CCN(S(C)(=O)=O)CC1 ZINC000062083816 184205136 /nfs/dbraw/zinc/20/51/36/184205136.db2.gz AWCFUEAHQFMFMW-KBPBESRZSA-N 1 0 305.488 1.120 10 0 DDAERO C[C@H](CCC[NH2+]C(C)(C)C)N1CCN(S(C)(=O)=O)CC1 ZINC000062097015 184206065 /nfs/dbraw/zinc/20/60/65/184206065.db2.gz KCMDUPOQLUUXMI-CYBMUJFWSA-N 1 0 305.488 1.120 10 0 DDAERO Cc1nn(CC[C@H]([NH2+]C(C)C)C(N)=O)c(C)c1Br ZINC000062538491 184241750 /nfs/dbraw/zinc/24/17/50/184241750.db2.gz OHMKJJXTNNAXJM-JTQLQIEISA-N 1 0 317.231 1.504 10 0 DDAERO CCOC(=O)[C@@H]([NH3+])CCn1nc(C)c(Br)c1C ZINC000062538514 184241857 /nfs/dbraw/zinc/24/18/57/184241857.db2.gz MMIFYEJOSBTOSU-VIFPVBQESA-N 1 0 304.188 1.543 10 0 DDAERO CNS(=O)(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000062362047 184232812 /nfs/dbraw/zinc/23/28/12/184232812.db2.gz VNSHBLJZUFKDPK-HNNXBMFYSA-N 1 0 311.451 1.576 10 0 DDAERO CC[NH+](CC)[C@@H](CNS(=O)(=O)NC)c1ccc(Cl)cc1 ZINC000062358376 184232879 /nfs/dbraw/zinc/23/28/79/184232879.db2.gz JQCBEBYEUICURC-ZDUSSCGKSA-N 1 0 319.858 1.777 10 0 DDAERO CCNS(=O)(=O)N[C@@H](C)C[N@H+](Cc1ccccc1)C(C)C ZINC000062371841 184233385 /nfs/dbraw/zinc/23/33/85/184233385.db2.gz AABANLATZFJKMN-AWEZNQCLSA-N 1 0 313.467 1.729 10 0 DDAERO COC(=O)COc1ccc(C[C@@H](C)[NH3+])cc1Br ZINC000062704150 184248678 /nfs/dbraw/zinc/24/86/78/184248678.db2.gz GWXMSPOLTAVQDJ-MRVPVSSYSA-N 1 0 302.168 1.891 10 0 DDAERO CCCN(CCO)c1nc2sccn2c1C[NH2+]CCOC ZINC000062736937 184251175 /nfs/dbraw/zinc/25/11/75/184251175.db2.gz OBXAERXMZPZRHU-UHFFFAOYSA-N 1 0 312.439 1.341 10 0 DDAERO COCC[NH2+]Cc1c(Cl)cccc1N1CCNC(=O)CC1 ZINC000062738460 184251800 /nfs/dbraw/zinc/25/18/00/184251800.db2.gz HJSJRBFSYYUTFO-UHFFFAOYSA-N 1 0 311.813 1.402 10 0 DDAERO C[C@H]1C[C@H](C)CN(S(=O)(=O)N[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000063213622 184278983 /nfs/dbraw/zinc/27/89/83/184278983.db2.gz LXLFEKJWRDAHDK-XDQVBPFNSA-N 1 0 303.472 1.459 10 0 DDAERO [NH3+]C[C@]1(N2CCC3(CCCCC3)CC2)CCS(=O)(=O)C1 ZINC000062962779 184262909 /nfs/dbraw/zinc/26/29/09/184262909.db2.gz DIVYVTDDYYRIHJ-OAHLLOKOSA-N 1 0 300.468 1.549 10 0 DDAERO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2c(N)cccc2F)C1 ZINC000062975657 184263687 /nfs/dbraw/zinc/26/36/87/184263687.db2.gz GEHFHSYCDPAPTP-LLVKDONJSA-N 1 0 315.414 1.513 10 0 DDAERO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc(F)c(NN)c(F)c1 ZINC000063007780 184266062 /nfs/dbraw/zinc/26/60/62/184266062.db2.gz BRWZGGXMFLUMSR-GFCCVEGCSA-N 1 0 300.353 1.566 10 0 DDAERO CCC[NH2+][C@@H]1COc2cc(OCCCS(C)(=O)=O)ccc21 ZINC000063014518 184266680 /nfs/dbraw/zinc/26/66/80/184266680.db2.gz AKBIOIWUTFUGCZ-CQSZACIVSA-N 1 0 313.419 1.933 10 0 DDAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1c(F)cc(F)cc1F ZINC000063168249 184275618 /nfs/dbraw/zinc/27/56/18/184275618.db2.gz QAKGBIOLFXEGRT-JTQLQIEISA-N 1 0 322.352 1.867 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(OC(F)F)cc2)CCO1 ZINC000116792501 194771492 /nfs/dbraw/zinc/77/14/92/194771492.db2.gz ZJMDINOZWFXQID-CYBMUJFWSA-N 1 0 314.332 1.691 10 0 DDAERO Cc1cnn(CCNC(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000118051413 194865014 /nfs/dbraw/zinc/86/50/14/194865014.db2.gz OBNPFQGJLVZKHA-CYBMUJFWSA-N 1 0 321.450 1.855 10 0 DDAERO COc1ccncc1NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C(F)(F)F ZINC000299746511 533089273 /nfs/dbraw/zinc/08/92/73/533089273.db2.gz XWGDGSSODQAIDO-RKDXNWHRSA-N 1 0 303.284 1.769 10 0 DDAERO CCN1CCCN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CC1=O ZINC000190019456 285210776 /nfs/dbraw/zinc/21/07/76/285210776.db2.gz QYWGADWHLIOKIB-OAHLLOKOSA-N 1 0 324.469 1.371 10 0 DDAERO CC[C@@H]1CN(Cc2cnc3c(C)cccn23)CC[N@@H+]1C[C@@H](C)O ZINC000120734008 195226157 /nfs/dbraw/zinc/22/61/57/195226157.db2.gz VJDRNJUXYFCMQR-HZPDHXFCSA-N 1 0 316.449 1.920 10 0 DDAERO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CN(c3ccoc3)C(=O)[C@@H]2C1 ZINC000251974103 257107306 /nfs/dbraw/zinc/10/73/06/257107306.db2.gz CTTRDNLKFCYYDO-IUODEOHRSA-N 1 0 301.346 1.979 10 0 DDAERO CN1[C@H](C(=O)NCC2CC2)C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC000248061580 257110652 /nfs/dbraw/zinc/11/06/52/257110652.db2.gz UUWIXHOIJNVBEJ-BHYGNILZSA-N 1 0 314.433 1.112 10 0 DDAERO COCC(=O)NC[C@@]12COC[C@@H]1C[N@H+](Cc1ccccc1F)C2 ZINC000247829777 257116860 /nfs/dbraw/zinc/11/68/60/257116860.db2.gz KVCKFBDHMVDHEV-WMLDXEAASA-N 1 0 322.380 1.037 10 0 DDAERO CC[C@@H]1CN(Cc2c(C)nn(C)c2OC)CC[N@@H+]1CCOC ZINC000120949897 195269250 /nfs/dbraw/zinc/26/92/50/195269250.db2.gz HUEWTZMFMQXAJD-CQSZACIVSA-N 1 0 310.442 1.280 10 0 DDAERO CCOC(=O)c1ccc(CN2CC[N@H+](CCOC)[C@H](CC)C2)o1 ZINC000120969843 195273708 /nfs/dbraw/zinc/27/37/08/195273708.db2.gz PGOVEUHRUCWTDS-CQSZACIVSA-N 1 0 324.421 1.999 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)C1 ZINC000121084789 195292345 /nfs/dbraw/zinc/29/23/45/195292345.db2.gz ZUPXABIXXDDIKI-NSHDSACASA-N 1 0 303.337 1.443 10 0 DDAERO CCn1cc(C[N@@H+]2CCCN(Cc3ccnn3CC)CC2)cn1 ZINC000121628504 195319175 /nfs/dbraw/zinc/31/91/75/195319175.db2.gz DCHVADLAIZHBSN-UHFFFAOYSA-N 1 0 316.453 1.827 10 0 DDAERO CCO[C@@H]1C[C@@](CO)([NH2+]C[C@H](O)COC(C)(C)C)C1(C)C ZINC000189968825 286304319 /nfs/dbraw/zinc/30/43/19/286304319.db2.gz SMPWDIUICAHZEB-ZENOOKHLSA-N 1 0 303.443 1.318 10 0 DDAERO c1ccc(-c2noc(-c3ccc(N4CCC[NH2+]CC4)nc3)n2)nc1 ZINC000070457830 406816225 /nfs/dbraw/zinc/81/62/25/406816225.db2.gz LHKYPWPXWPIDHM-UHFFFAOYSA-N 1 0 322.372 1.993 10 0 DDAERO CCC(CC)C[NH2+]CCCn1cc(C(=O)N2CCOCC2)nn1 ZINC000012158587 406837515 /nfs/dbraw/zinc/83/75/15/406837515.db2.gz KPNPDGOHIXJLMZ-UHFFFAOYSA-N 1 0 323.441 1.166 10 0 DDAERO [NH3+][C@H]1CC(=O)N(c2ccccc2I)C1 ZINC000035679789 406974518 /nfs/dbraw/zinc/97/45/18/406974518.db2.gz IYWOUOLFUQHGID-ZETCQYMHSA-N 1 0 302.115 1.355 10 0 DDAERO C[C@H]1C[C@@H]1NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 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CCOc1ccccc1CCNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261751622 407601834 /nfs/dbraw/zinc/60/18/34/407601834.db2.gz LEGRLMCMFLZGIL-MRXNPFEDSA-N 1 0 306.406 1.498 10 0 DDAERO CCCC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](CC)C2)C1 ZINC000171164600 407614350 /nfs/dbraw/zinc/61/43/50/407614350.db2.gz YMPZOVWVAUVGFK-GJZGRUSLSA-N 1 0 324.469 1.561 10 0 DDAERO c1cc(-c2noc(-c3ncn([C@@H]4CCC[NH2+]C4)n3)n2)cs1 ZINC000261787775 407617267 /nfs/dbraw/zinc/61/72/67/407617267.db2.gz OGGDWYGDISTPQJ-SNVBAGLBSA-N 1 0 302.363 1.981 10 0 DDAERO CO[C@@H](C)C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000115157288 407657639 /nfs/dbraw/zinc/65/76/39/407657639.db2.gz HHHCXGXVAJEZBB-WMLDXEAASA-N 1 0 320.433 1.583 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(-n2cncn2)c1 ZINC000115385989 407675947 /nfs/dbraw/zinc/67/59/47/407675947.db2.gz ICUFNHDFSLLBNR-CZUORRHYSA-N 1 0 311.389 1.576 10 0 DDAERO C[C@H](NC(=O)C1([NH3+])CCOCC1)c1nc(C2CCCCC2)no1 ZINC000261936217 407677359 /nfs/dbraw/zinc/67/73/59/407677359.db2.gz 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C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(Cl)cc2F)CCO1 ZINC000116796072 407779562 /nfs/dbraw/zinc/77/95/62/407779562.db2.gz QMJXJPMHXVFQML-LLVKDONJSA-N 1 0 300.761 1.882 10 0 DDAERO CCCCOCCCNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117024149 407807118 /nfs/dbraw/zinc/80/71/18/407807118.db2.gz UCAGVYHSGITMHI-AWEZNQCLSA-N 1 0 301.431 1.165 10 0 DDAERO COCc1ccc(CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000117031206 407807934 /nfs/dbraw/zinc/80/79/34/407807934.db2.gz KALLJFHDUMIURF-INIZCTEOSA-N 1 0 321.421 1.305 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C(N)=O)C(C)(C)C ZINC000179615455 407812136 /nfs/dbraw/zinc/81/21/36/407812136.db2.gz YLOYHDIBBDYNMV-CHWSQXEVSA-N 1 0 312.458 1.306 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000262363103 407812560 /nfs/dbraw/zinc/81/25/60/407812560.db2.gz VWBOCUGNWGZHMB-CMPLNLGQSA-N 1 0 305.403 1.961 10 0 DDAERO [NH3+]CC1(C(=O)N2CCC(c3nccs3)CC2)CCOCC1 ZINC000262380841 407820069 /nfs/dbraw/zinc/82/00/69/407820069.db2.gz WZYYODNNYDGVBY-UHFFFAOYSA-N 1 0 309.435 1.605 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1cccc(OCC(F)(F)F)c1C ZINC000262515779 407854444 /nfs/dbraw/zinc/85/44/44/407854444.db2.gz KEAYEEMXZHXRHR-VIFPVBQESA-N 1 0 306.284 1.848 10 0 DDAERO CC[C@H](O)C[NH+]1CCN([C@@H](C(=O)OC)c2ccccc2)CC1 ZINC000173457729 407880252 /nfs/dbraw/zinc/88/02/52/407880252.db2.gz TTWKNWXKZKZUFW-JKSUJKDBSA-N 1 0 306.406 1.289 10 0 DDAERO CCC[C@H](C(=O)N[C@@H](C)C1CCN(C(=O)OC)CC1)[NH+](C)C ZINC000188454786 407945994 /nfs/dbraw/zinc/94/59/94/407945994.db2.gz QZGKPVMBPKKCNF-GXTWGEPZSA-N 1 0 313.442 1.700 10 0 DDAERO COc1nc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)ncc1Br ZINC000268226463 407958916 /nfs/dbraw/zinc/95/89/16/407958916.db2.gz KYYQUFCGQFRQEE-PSASIEDQSA-N 1 0 315.215 1.634 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCNC(=O)C(C)(C)C ZINC000174532700 407959745 /nfs/dbraw/zinc/95/97/45/407959745.db2.gz DYYHAMJERVSLGC-UONOGXRCSA-N 1 0 324.469 1.417 10 0 DDAERO CC(C)(C)C[C@@H](CO)NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 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/nfs/dbraw/zinc/79/32/77/408793277.db2.gz GENYFSXFPWZCDF-NSHDSACASA-N 1 0 314.382 1.303 10 0 DDAERO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CNC(=O)C2)c1 ZINC000194873659 408803287 /nfs/dbraw/zinc/80/32/87/408803287.db2.gz TZBDWZLMGGSLDW-HNNXBMFYSA-N 1 0 303.406 1.281 10 0 DDAERO O=C(COCCOc1ccccc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195057773 408810257 /nfs/dbraw/zinc/81/02/57/408810257.db2.gz JAULYSPKPJLDTM-MRXNPFEDSA-N 1 0 318.417 1.779 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](OCCOC)C2)C1 ZINC000194288926 408776403 /nfs/dbraw/zinc/77/64/03/408776403.db2.gz KTNXVZDPXUIOMR-CABCVRRESA-N 1 0 313.442 1.308 10 0 DDAERO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000187290844 163012042 /nfs/dbraw/zinc/01/20/42/163012042.db2.gz PXINSWSRFXGXPW-ZDUSSCGKSA-N 1 0 320.441 1.547 10 0 DDAERO C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1cccc2cnccc21 ZINC000189321242 163095705 /nfs/dbraw/zinc/09/57/05/163095705.db2.gz VUOYXOBILYFURK-SMDDNHRTSA-N 1 0 305.403 1.654 10 0 DDAERO CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCCO)CC1 ZINC000190508267 163144724 /nfs/dbraw/zinc/14/47/24/163144724.db2.gz QHTOKRGCTRIEQL-CQSZACIVSA-N 1 0 300.443 1.497 10 0 DDAERO CC[C@H]1CN(Cc2cn(C(C)(C)C)nn2)CC[N@@H+]1C[C@@H](C)O ZINC000191336241 163181581 /nfs/dbraw/zinc/18/15/81/163181581.db2.gz FXOLGBZADUNWOA-HIFRSBDPSA-N 1 0 309.458 1.310 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCNC(=O)[C@@H]1C ZINC000191515891 163190008 /nfs/dbraw/zinc/19/00/08/163190008.db2.gz YTODUVPJRYVCJO-UONOGXRCSA-N 1 0 310.442 1.027 10 0 DDAERO CCC[C@H](C(=O)NC[C@]1(O)C[C@H](OCC)C1(C)C)[NH+](C)C ZINC000191713788 163199732 /nfs/dbraw/zinc/19/97/32/163199732.db2.gz KHKANLFLEXMXEI-DVOMOZLQSA-N 1 0 300.443 1.399 10 0 DDAERO CC(=O)c1cccc(O[C@H](C)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000195450948 163322769 /nfs/dbraw/zinc/32/27/69/163322769.db2.gz LTOSCTJTRHOPRH-GDBMZVCRSA-N 1 0 316.401 1.963 10 0 DDAERO CCNC(=O)C(C)(C)CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000246446282 163488383 /nfs/dbraw/zinc/48/83/83/163488383.db2.gz NXGNBCGHCCMOAI-KGLIPLIRSA-N 1 0 324.469 1.417 10 0 DDAERO Cc1cccc(N2CCC(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)n1 ZINC000261750832 163696800 /nfs/dbraw/zinc/69/68/00/163696800.db2.gz MPECYQMWPVULJT-GDBMZVCRSA-N 1 0 316.449 1.850 10 0 DDAERO CNS(=O)(=O)c1cccc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000261810383 163707017 /nfs/dbraw/zinc/70/70/17/163707017.db2.gz RUEMMRXNUBGFSL-GXFFZTMASA-N 1 0 311.407 1.051 10 0 DDAERO COc1cccc(-c2noc([C@H](C)NC(=O)C[C@H](C)[NH3+])n2)c1 ZINC000261824109 163710450 /nfs/dbraw/zinc/71/04/50/163710450.db2.gz MTTGTVQGIUYNHR-UWVGGRQHSA-N 1 0 304.350 1.660 10 0 DDAERO COc1ccc(CCNC(=O)[C@H]2CCC[NH2+][C@H]2C)cc1OC ZINC000262039936 163755158 /nfs/dbraw/zinc/75/51/58/163755158.db2.gz BRMLIRQLPJVPPO-JSGCOSHPSA-N 1 0 306.406 1.751 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(OC2CCCCC2)cc1 ZINC000262068244 163760734 /nfs/dbraw/zinc/76/07/34/163760734.db2.gz BJEKQGIVGIGABP-YOEHRIQHSA-N 1 0 318.417 1.708 10 0 DDAERO COc1cc(CNC(=O)C2C[NH2+]C2)ccc1OCC(F)(F)F ZINC000262156060 163777834 /nfs/dbraw/zinc/77/78/34/163777834.db2.gz AMEUCMDZMZGXSL-UHFFFAOYSA-N 1 0 318.295 1.472 10 0 DDAERO CCC1(CC)CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000262226309 163788897 /nfs/dbraw/zinc/78/88/97/163788897.db2.gz JXYHXQOWBCTSTE-CABCVRRESA-N 1 0 304.438 1.762 10 0 DDAERO O=C(NC[C@H]1CCCCN1C(=O)C1C[NH2+]C1)c1ccccc1 ZINC000262287091 163799718 /nfs/dbraw/zinc/79/97/18/163799718.db2.gz WVTJDKXQQQIIOH-OAHLLOKOSA-N 1 0 301.390 1.017 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000262319296 163806317 /nfs/dbraw/zinc/80/63/17/163806317.db2.gz QBUULCAWRFOLIL-WCQYABFASA-N 1 0 310.394 1.633 10 0 DDAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1c(Br)cnn1C ZINC000294766188 409302222 /nfs/dbraw/zinc/30/22/22/409302222.db2.gz BLVIYUPYZNJVNE-SECBINFHSA-N 1 0 315.215 1.206 10 0 DDAERO CN(Cc1nc2ccccc2n1C)C(=O)C1(C[NH3+])CCOCC1 ZINC000262417737 163825856 /nfs/dbraw/zinc/82/58/56/163825856.db2.gz ZUXMMQPXKLJWIL-UHFFFAOYSA-N 1 0 316.405 1.287 10 0 DDAERO [NH3+]C[C@@H]1CCO[C@H]1c1ncc(I)s1 ZINC000306370464 409774158 /nfs/dbraw/zinc/77/41/58/409774158.db2.gz DJSHFUKERBVFMK-CAHLUQPWSA-N 1 0 310.160 1.784 10 0 DDAERO CCCn1c(C)cc(C(=O)CN2CCO[C@H](C[NH+](C)C)C2)c1C ZINC000131512498 196176567 /nfs/dbraw/zinc/17/65/67/196176567.db2.gz NQBPRZCDJBHJEF-MRXNPFEDSA-N 1 0 321.465 1.960 10 0 DDAERO C[C@](C[NH3+])(NS(=O)(=O)c1ccc2c(c1)CCCC2)C1CC1 ZINC000133756356 196333703 /nfs/dbraw/zinc/33/37/03/196333703.db2.gz CUHSTYOXSXBHPP-MRXNPFEDSA-N 1 0 308.447 1.971 10 0 DDAERO O=S(=O)(NC[C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000133767001 196335931 /nfs/dbraw/zinc/33/59/31/196335931.db2.gz ROJOLMXNZOWBIB-QMMMGPOBSA-N 1 0 309.218 1.881 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(-c3ccccn3)c2C)C1 ZINC000194661310 418546806 /nfs/dbraw/zinc/54/68/06/418546806.db2.gz SGGGRQLEDYCHMY-CQSZACIVSA-N 1 0 313.405 1.790 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nnnn1CC(F)(F)F ZINC000190923142 222092989 /nfs/dbraw/zinc/09/29/89/222092989.db2.gz NKERMGZIOLHJMQ-JTQLQIEISA-N 1 0 306.336 1.152 10 0 DDAERO Cc1n[nH]cc1C[NH+]1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190588487 222083588 /nfs/dbraw/zinc/08/35/88/222083588.db2.gz CEFRMWGMHFCUPF-UHFFFAOYSA-N 1 0 322.453 1.956 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000193071478 222142761 /nfs/dbraw/zinc/14/27/61/222142761.db2.gz LWSDKMFBTLGUKK-NSHDSACASA-N 1 0 310.785 1.274 10 0 DDAERO CC[C@H]1CN(C(=O)/C=C\c2ccc(O)cc2)CC[N@@H+]1CCOC ZINC000492591523 420599812 /nfs/dbraw/zinc/59/98/12/420599812.db2.gz MTJBDSUTWPEJOF-HWYHOQROSA-N 1 0 318.417 1.975 10 0 DDAERO COc1ccc(/C=C\C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1O ZINC000492730969 420643708 /nfs/dbraw/zinc/64/37/08/420643708.db2.gz DBJLTSZRGWKWER-VSKVDJIOSA-N 1 0 302.374 1.721 10 0 DDAERO COc1ccc([C@@](C)(O)[C@@H]2CCC[N@@H+]2CC(=O)N2CCC2)cc1 ZINC000583615581 422197934 /nfs/dbraw/zinc/19/79/34/422197934.db2.gz MQHVXZUWWYVFDZ-FUHWJXTLSA-N 1 0 318.417 1.599 10 0 DDAERO CN(C[C@@H]1CCn2ccnc2C1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000637533113 422264436 /nfs/dbraw/zinc/26/44/36/422264436.db2.gz RPAIVAINMOOQPX-KGLIPLIRSA-N 1 0 305.426 1.181 10 0 DDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1n[nH]cc1Br ZINC000648069226 423197774 /nfs/dbraw/zinc/19/77/74/423197774.db2.gz VHPPVGNYKAAZLF-YUMQZZPRSA-N 1 0 301.188 1.163 10 0 DDAERO O=C(Nc1cnn(Cc2ccccc2)c1)[C@@H]1C[NH2+]CCOC1 ZINC000643649554 423245211 /nfs/dbraw/zinc/24/52/11/423245211.db2.gz CSYZNBHKKHEYJZ-CQSZACIVSA-N 1 0 300.362 1.106 10 0 DDAERO O[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@H]1n1ccnn1 ZINC000639742251 423701593 /nfs/dbraw/zinc/70/15/93/423701593.db2.gz ZCFANZLGQMAZHW-HUUCEWRRSA-N 1 0 306.341 1.104 10 0 DDAERO Cc1nnc([C@H]2CN(CC[NH+]3CCC(C)CC3)C[C@@H](C)O2)o1 ZINC000661928135 424269230 /nfs/dbraw/zinc/26/92/30/424269230.db2.gz HHMOLIWFQOCLAF-UKRRQHHQSA-N 1 0 308.426 1.872 10 0 DDAERO CC(C)n1nccc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccn1C ZINC000657510303 424388502 /nfs/dbraw/zinc/38/85/02/424388502.db2.gz JTIPIPHVZZFZGK-RHSMWYFYSA-N 1 0 315.421 1.912 10 0 DDAERO COC[C@H]([NH3+])C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000262300369 274050099 /nfs/dbraw/zinc/05/00/99/274050099.db2.gz NVEXHKSOWUGLDK-LBPRGKRZSA-N 1 0 303.189 1.852 10 0 DDAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000262776004 274377942 /nfs/dbraw/zinc/37/79/42/274377942.db2.gz LTYPMVVZJPBNQK-ZYHUDNBSSA-N 1 0 319.430 1.849 10 0 DDAERO [NH3+]C[C@H]1CCCN1C(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000178272627 274952278 /nfs/dbraw/zinc/95/22/78/274952278.db2.gz HXSGHMAEBZGQPJ-LLVKDONJSA-N 1 0 305.403 1.684 10 0 DDAERO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCc2ccc(Br)cc21 ZINC000158417946 275006608 /nfs/dbraw/zinc/00/66/08/275006608.db2.gz TVBGHTWTXBGHOZ-MNOVXSKESA-N 1 0 311.179 1.061 10 0 DDAERO CC(C)c1nnc2n1C[C@@H]([NH2+]C1CCC3(CC1)OCCO3)CC2 ZINC000186325561 275776545 /nfs/dbraw/zinc/77/65/45/275776545.db2.gz UURUPLKSTQNCEF-AWEZNQCLSA-N 1 0 320.437 1.992 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCCN1C(=O)NC(C)(C)C1=O ZINC000175332362 276169470 /nfs/dbraw/zinc/16/94/70/276169470.db2.gz GPUBLAQEIWHEAL-CYBMUJFWSA-N 1 0 310.442 1.123 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(Cc2noc(-c3ccsc3)n2)CC1 ZINC000174085917 276445725 /nfs/dbraw/zinc/44/57/25/276445725.db2.gz RJWQBPLRXISMRF-CYBMUJFWSA-N 1 0 322.434 1.687 10 0 DDAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCc3c1cnn3C)CC2 ZINC000180609482 276694994 /nfs/dbraw/zinc/69/49/94/276694994.db2.gz IRVOBEGCSCIMMP-AAEUAGOBSA-N 1 0 300.410 1.556 10 0 DDAERO CC(C)(C)c1nnc(NC(=O)CN2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000246789664 277279254 /nfs/dbraw/zinc/27/92/54/277279254.db2.gz ISPYEGKOHXACDQ-NSHDSACASA-N 1 0 323.466 1.554 10 0 DDAERO CC(C)C(=O)N1CCC(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000113230286 277327800 /nfs/dbraw/zinc/32/78/00/277327800.db2.gz FUVIOFMKSOEXKG-GOEBONIOSA-N 1 0 321.465 1.576 10 0 DDAERO COc1nc(N2CC[C@H](C)C[C@H]2C[NH3+])ncc1Br ZINC000261571127 278084808 /nfs/dbraw/zinc/08/48/08/278084808.db2.gz KVWBIOPECDCCCA-IUCAKERBSA-N 1 0 315.215 1.811 10 0 DDAERO C[C@@](C[NH3+])(NS(=O)(=O)c1cc(F)ccc1Cl)C1CC1 ZINC000123922525 278115403 /nfs/dbraw/zinc/11/54/03/278115403.db2.gz CDURQWRYLVJPBW-LBPRGKRZSA-N 1 0 306.790 1.885 10 0 DDAERO CC(=O)N[C@@H](CC(=O)N1CC[C@H]([NH3+])C(C)(C)C1)c1cccs1 ZINC000261832208 278132506 /nfs/dbraw/zinc/13/25/06/278132506.db2.gz IHAOWCKBBKBVKS-JSGCOSHPSA-N 1 0 323.462 1.901 10 0 DDAERO CC1(C)CC(NC(=O)N[C@H]2CCc3ncnn3C2)CC(C)(C)[NH2+]1 ZINC000112739523 278190661 /nfs/dbraw/zinc/19/06/61/278190661.db2.gz BXWJAMPZQLMKMY-NSHDSACASA-N 1 0 320.441 1.201 10 0 DDAERO Cc1cnn(CC[NH2+][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000185843580 279033601 /nfs/dbraw/zinc/03/36/01/279033601.db2.gz HLVWLOPWFXEPJD-HNNXBMFYSA-N 1 0 321.446 1.952 10 0 DDAERO CC[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000299742518 279053341 /nfs/dbraw/zinc/05/33/41/279053341.db2.gz JTJRMZSIUZOQHP-XJKSGUPXSA-N 1 0 322.453 1.734 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)NC(=O)c1ccoc1 ZINC000245437210 279300231 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COc1ccc(C)cc1[C@@H](O)C[NH2+][C@H](C)CS(C)(=O)=O ZINC000081902960 192336595 /nfs/dbraw/zinc/33/65/95/192336595.db2.gz PCZUPBHOKKNGKH-YPMHNXCESA-N 1 0 301.408 1.060 10 0 DDAERO C[C@@H]1CC[N@H+](C[C@H](O)COCc2ccc(Cl)cc2)[C@H]1CO ZINC000248923945 282118109 /nfs/dbraw/zinc/11/81/09/282118109.db2.gz LFZUZPVTTDIMES-KCXAZCMYSA-N 1 0 313.825 1.920 10 0 DDAERO CCC[NH2+][C@H](CS(=O)(=O)CC)c1ccc2c(c1)OCCO2 ZINC000081925517 192339552 /nfs/dbraw/zinc/33/95/52/192339552.db2.gz RSRAHUDVGUFTSV-CYBMUJFWSA-N 1 0 313.419 1.933 10 0 DDAERO COCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000079306315 185164262 /nfs/dbraw/zinc/16/42/62/185164262.db2.gz PMZQPGRITPOPIM-QWHCGFSZSA-N 1 0 324.421 1.896 10 0 DDAERO C[NH+]1CCC(N2CCN(C(=O)NCc3ccccc3)CC2)CC1 ZINC000082359255 185177905 /nfs/dbraw/zinc/17/79/05/185177905.db2.gz UYYJSRGIOJNANN-UHFFFAOYSA-N 1 0 316.449 1.608 10 0 DDAERO C[NH2+][C@H](c1ccccc1)[C@H](C(C)C)S(=O)(=O)CC(=O)OC ZINC000081976104 192347423 /nfs/dbraw/zinc/34/74/23/192347423.db2.gz LCSCNPZXHKOANF-CABCVRRESA-N 1 0 313.419 1.560 10 0 DDAERO CCC[C@H](C[NH3+])C(=O)Nc1ccc(NS(C)(=O)=O)c(C)c1 ZINC000087519985 185227755 /nfs/dbraw/zinc/22/77/55/185227755.db2.gz LUOBLLRHWKBFSE-LLVKDONJSA-N 1 0 313.423 1.680 10 0 DDAERO CCC[C@H](C[NH3+])C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000087525952 185227821 /nfs/dbraw/zinc/22/78/21/185227821.db2.gz JBDCUQYDJYCSAY-MCIONIFRSA-N 1 0 300.468 1.875 10 0 DDAERO Cc1cc(C(=O)NC2(C(N)=S)CC[NH+](C)CC2)sc1C ZINC000087567189 185228329 /nfs/dbraw/zinc/22/83/29/185228329.db2.gz GBFXXSDHJQOVFA-UHFFFAOYSA-N 1 0 311.476 1.845 10 0 DDAERO O=C([C@@H]1C[NH2+]Cc2ccccc21)N(CCO)CC(F)(F)F ZINC000087618061 185229294 /nfs/dbraw/zinc/22/92/94/185229294.db2.gz IXXHBRGZVIKIIG-GFCCVEGCSA-N 1 0 302.296 1.257 10 0 DDAERO CCCCN(C(=O)C(C)(C)C(C)(C)[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000087627933 185229598 /nfs/dbraw/zinc/22/95/98/185229598.db2.gz XPXXSPBRLMEPNG-GFCCVEGCSA-N 1 0 318.483 1.566 10 0 DDAERO CC(C)([NH3+])C(C)(C)C(=O)Nc1ccc(CS(N)(=O)=O)cc1 ZINC000087627680 185229623 /nfs/dbraw/zinc/22/96/23/185229623.db2.gz YPYBPFYGFQNGIV-UHFFFAOYSA-N 1 0 313.423 1.177 10 0 DDAERO CCOC(=O)CN(CCOC)C(=O)[C@@H](C)CCC[C@@H](C)[NH3+] ZINC000087696283 185230840 /nfs/dbraw/zinc/23/08/40/185230840.db2.gz CJCBWKVFQVIRDG-QWHCGFSZSA-N 1 0 302.415 1.178 10 0 DDAERO COC(=O)CCS(=O)(=O)[C@@H]1CCCc2ccccc2[C@H]1[NH3+] ZINC000081974820 192347869 /nfs/dbraw/zinc/34/78/69/192347869.db2.gz FSTNLMCMLQMKFN-UKRRQHHQSA-N 1 0 311.403 1.369 10 0 DDAERO C[C@H](C[NH3+])[S@](=O)CCOc1ccc(Br)cc1 ZINC000088067656 185238659 /nfs/dbraw/zinc/23/86/59/185238659.db2.gz UETVYUWGWWOVJV-ABKXIKBNSA-N 1 0 306.225 1.924 10 0 DDAERO C[C@@H](C[NH3+])[S@](=O)CCOc1cccc(Br)c1 ZINC000088067683 185238736 /nfs/dbraw/zinc/23/87/36/185238736.db2.gz OPPFQGNLYLBNBS-FVMDXXJSSA-N 1 0 306.225 1.924 10 0 DDAERO Cc1nn(-c2nc(C)[nH+]c(NN)c2C)c(C)c1Br ZINC000087867505 185233752 /nfs/dbraw/zinc/23/37/52/185233752.db2.gz CXPVYVATAXWFOC-UHFFFAOYSA-N 1 0 311.187 1.944 10 0 DDAERO CCC[NH2+][C@@H]1CC(C)(C)Cc2c1cnn2CCS(C)(=O)=O ZINC000087862652 185233908 /nfs/dbraw/zinc/23/39/08/185233908.db2.gz UMGLOAJSICHJHS-CYBMUJFWSA-N 1 0 313.467 1.941 10 0 DDAERO C[C@H]1CN(c2nc(NN)[nH+]cc2Br)CCCO1 ZINC000087870189 185234084 /nfs/dbraw/zinc/23/40/84/185234084.db2.gz LXXSOOPOHOYUSR-ZETCQYMHSA-N 1 0 302.176 1.140 10 0 DDAERO CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1S(=O)(=O)CC(=O)OCC ZINC000081977400 192348153 /nfs/dbraw/zinc/34/81/53/192348153.db2.gz RNNTZYQFZFPGRV-XQQFMLRXSA-N 1 0 305.440 1.521 10 0 DDAERO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000178690327 539232808 /nfs/dbraw/zinc/23/28/08/539232808.db2.gz RKTDJGNODDHDBC-NVXWUHKLSA-N 1 0 320.437 1.006 10 0 DDAERO [NH3+]C1(C(=O)Nc2cc3c(cc2Br)OCCO3)CC1 ZINC000088129877 185240404 /nfs/dbraw/zinc/24/04/04/185240404.db2.gz PQMBDJGJDGZMLO-UHFFFAOYSA-N 1 0 313.151 1.650 10 0 DDAERO [NH3+][C@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000088312006 185245171 /nfs/dbraw/zinc/24/51/71/185245171.db2.gz PLHOGSHCRGTASK-QWRGUYRKSA-N 1 0 310.202 1.883 10 0 DDAERO CCOc1ccc(OC[C@H](O)C[NH2+][C@@H](C(=O)NC)C(C)C)cc1 ZINC000183661481 539242582 /nfs/dbraw/zinc/24/25/82/539242582.db2.gz XCVCVBZINLREAC-CZUORRHYSA-N 1 0 324.421 1.185 10 0 DDAERO CCc1nc(S(=O)(=O)N2CC[NH2+]CC23CCCCC3)c[nH]1 ZINC000088396188 185248512 /nfs/dbraw/zinc/24/85/12/185248512.db2.gz QIPSMFZBPMGWGD-UHFFFAOYSA-N 1 0 312.439 1.269 10 0 DDAERO COCC[N@H+](CCOc1ccc(OC)cc1)CCC(N)=S ZINC000088402031 185248662 /nfs/dbraw/zinc/24/86/62/185248662.db2.gz UQLTXDKEWPYUMP-UHFFFAOYSA-N 1 0 312.435 1.699 10 0 DDAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2C)o1 ZINC000088543811 185256932 /nfs/dbraw/zinc/25/69/32/185256932.db2.gz BHNBCPXCMFVCME-NSHDSACASA-N 1 0 302.396 1.187 10 0 DDAERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000088540614 185255715 /nfs/dbraw/zinc/25/57/15/185255715.db2.gz CWUHVSGMYDMEQU-RYUDHWBXSA-N 1 0 302.396 1.187 10 0 DDAERO [NH3+][C@H]1CCC2(C[C@H]1S(=O)(=O)C1CCCCC1)OCCO2 ZINC000081979336 192348938 /nfs/dbraw/zinc/34/89/38/192348938.db2.gz WYDYGICRUXYFIW-QWHCGFSZSA-N 1 0 303.424 1.357 10 0 DDAERO C[NH+]1CCC(CNC(=O)c2sc3nccnc3c2N)CC1 ZINC000088642398 185261217 /nfs/dbraw/zinc/26/12/17/185261217.db2.gz CNJQQUQDGSQKSD-UHFFFAOYSA-N 1 0 305.407 1.345 10 0 DDAERO COC[C@@H]1CN(CC[N@H+](C)Cc2ccc(F)cc2)C[C@@H](C)O1 ZINC000253341788 282214253 /nfs/dbraw/zinc/21/42/53/282214253.db2.gz ZMANJFHOXGMJOW-PBHICJAKSA-N 1 0 310.413 1.993 10 0 DDAERO O=C1CC[C@H]([NH2+]C[C@@H](O)c2cc(Cl)ccc2Cl)C(=O)N1 ZINC000090016434 185278352 /nfs/dbraw/zinc/27/83/52/185278352.db2.gz KYRPWXHEAXVDNI-WDEREUQCSA-N 1 0 317.172 1.422 10 0 DDAERO Cc1cc(Cl)ccc1S(=O)(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090321877 185290953 /nfs/dbraw/zinc/29/09/53/185290953.db2.gz WNTQIEVSPXUSGH-QWRGUYRKSA-N 1 0 300.811 1.488 10 0 DDAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1cc(C)cc(C)c1 ZINC000090331847 185291572 /nfs/dbraw/zinc/29/15/72/185291572.db2.gz FOXCUTPCWIIEFS-VNQPRFMTSA-N 1 0 308.447 1.922 10 0 DDAERO COc1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2(C)C)cc1 ZINC000090336898 185291933 /nfs/dbraw/zinc/29/19/33/185291933.db2.gz NTRNZNYNZAMJBU-RISCZKNCSA-N 1 0 310.419 1.314 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1S(=O)(=O)c1cc(F)ccc1F ZINC000090336825 185292005 /nfs/dbraw/zinc/29/20/05/185292005.db2.gz DZACFGXHUXBIOR-ONGXEEELSA-N 1 0 316.373 1.583 10 0 DDAERO [NH3+][C@H]1COC[C@@H]1C(=O)Nc1ccccc1OCC(F)(F)F ZINC000090380193 185293524 /nfs/dbraw/zinc/29/35/24/185293524.db2.gz XCAYXYVVPRFOBS-IUCAKERBSA-N 1 0 304.268 1.540 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000090434670 185296081 /nfs/dbraw/zinc/29/60/81/185296081.db2.gz NMVGTFQIFDXSGD-QWRGUYRKSA-N 1 0 306.284 1.405 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cc(C(=O)OC)ccc1Cl ZINC000090433342 185296109 /nfs/dbraw/zinc/29/61/09/185296109.db2.gz FBRYTSNDHYRFMP-BXKDBHETSA-N 1 0 312.753 1.300 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1c2nsnc2ccc1Cl ZINC000090438387 185296650 /nfs/dbraw/zinc/29/66/50/185296650.db2.gz 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O=S1(=O)N=C(N2CCC([NH+]3CCCC3)CC2)c2ccccc21 ZINC000079403861 353560636 /nfs/dbraw/zinc/56/06/36/353560636.db2.gz MDPXFLWEMCHKMR-UHFFFAOYSA-N 1 0 319.430 1.696 10 0 DDAERO CC1(C)O[C@H]2O[C@H](C[N@@H+]3CCC[C@H]3c3ccccn3)[C@@H](O)[C@@H]2O1 ZINC000106385123 353939450 /nfs/dbraw/zinc/93/94/50/353939450.db2.gz BROBLMZLNSWKNT-CQJMVSDSSA-N 1 0 320.389 1.456 10 0 DDAERO C[C@@H]([NH3+])[C@H](O)c1ncc(Br)cc1Br ZINC000129035746 354078035 /nfs/dbraw/zinc/07/80/35/354078035.db2.gz ITJJMFNGAAADBP-VHWMUFPASA-N 1 0 309.989 1.987 10 0 DDAERO CCC[NH2+]CCNC(=O)[C@H](NC(=O)c1ccccc1)[C@@H](C)CC ZINC000236800972 202016098 /nfs/dbraw/zinc/01/60/98/202016098.db2.gz RZSQXIORHPPDSJ-GOEBONIOSA-N 1 0 319.449 1.947 10 0 DDAERO CCCC[C@@H](COC)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000153787663 354200814 /nfs/dbraw/zinc/20/08/14/354200814.db2.gz RSLBIGHBPFQGBS-LSDHHAIUSA-N 1 0 315.458 1.338 10 0 DDAERO CC(=O)N(C1CCC1)[C@H]1CCC[N@H+](CCN2CCCC2=O)CC1 ZINC000328623266 354549676 /nfs/dbraw/zinc/54/96/76/354549676.db2.gz 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CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000237011113 202121153 /nfs/dbraw/zinc/12/11/53/202121153.db2.gz SQSACWFGOJMKBO-IUODEOHRSA-N 1 0 319.405 1.471 10 0 DDAERO CN(C)C(=O)c1cccc(CCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000237057670 202138365 /nfs/dbraw/zinc/13/83/65/202138365.db2.gz KPXWAKDDOPCBHG-ZBFHGGJFSA-N 1 0 317.433 1.565 10 0 DDAERO COc1ccccc1C(=O)N[C@H](C(=O)NC[C@@H](C)C[NH3+])C(C)C ZINC000237098268 202153394 /nfs/dbraw/zinc/15/33/94/202153394.db2.gz BIGJCWUYRJLSBF-WFASDCNBSA-N 1 0 321.421 1.161 10 0 DDAERO COCC[S@@](=O)Cc1cccc(NC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000237122155 202159462 /nfs/dbraw/zinc/15/94/62/202159462.db2.gz FELUYLWTIHNSLW-LHSJRXKWSA-N 1 0 310.419 1.272 10 0 DDAERO CC[C@H]1CCC[C@](C[NH3+])(N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000086913291 192601629 /nfs/dbraw/zinc/60/16/29/192601629.db2.gz MCOKTLUNXOIHQN-GJZGRUSLSA-N 1 0 317.499 1.251 10 0 DDAERO CCOC(=O)CCc1ccc(OC[C@H](O)C[NH2+]C(C)C)cc1 ZINC000005855432 181289967 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CC[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc2c(c1)OCCO2 ZINC000180493968 199167319 /nfs/dbraw/zinc/16/73/19/199167319.db2.gz XTTDRSUIWUYYJX-GJZGRUSLSA-N 1 0 306.406 1.829 10 0 DDAERO COc1cccc(CCCNC(=O)C[C@@H]2CSCC[NH2+]2)c1 ZINC000237378914 202248246 /nfs/dbraw/zinc/24/82/46/202248246.db2.gz RTMZPONPHHDVGB-CQSZACIVSA-N 1 0 308.447 1.839 10 0 DDAERO CCC[NH2+]C[C@H](C)S(=O)(=O)N(CCOC)[C@@H](C)C1CC1 ZINC000089006915 192693909 /nfs/dbraw/zinc/69/39/09/192693909.db2.gz SMMUPVXMBIYTML-STQMWFEESA-N 1 0 306.472 1.451 10 0 DDAERO CCC[NH2+]Cc1cc(S(=O)(=O)N(CC)[C@@H](C)COC)c[nH]1 ZINC000089008320 192695476 /nfs/dbraw/zinc/69/54/76/192695476.db2.gz YYJGNXPRWDIWAL-LBPRGKRZSA-N 1 0 317.455 1.560 10 0 DDAERO CCCC[C@H](C)NS(=O)(=O)c1c(C)nn(CCC[NH3+])c1C ZINC000089022719 192703928 /nfs/dbraw/zinc/70/39/28/192703928.db2.gz ULKWBBREPJBZMC-NSHDSACASA-N 1 0 316.471 1.706 10 0 DDAERO C[NH2+]Cc1c(C)oc(C)c1S(=O)(=O)N1CCCO[C@@H](C)C1 ZINC000089027364 192706587 /nfs/dbraw/zinc/70/65/87/192706587.db2.gz VJHDPBIWUHXXHV-JTQLQIEISA-N 1 0 316.423 1.415 10 0 DDAERO CCCCNC(=O)[C@H](C)Sc1nnnn1CC[NH2+]C(C)C ZINC000089687389 192842254 /nfs/dbraw/zinc/84/22/54/192842254.db2.gz WGJWECZFTQDTSM-NSHDSACASA-N 1 0 314.459 1.068 10 0 DDAERO CCOC(=O)[C@@H](CC)Sc1nnnn1CC[NH2+]C(C)(C)C ZINC000089690840 192844108 /nfs/dbraw/zinc/84/41/08/192844108.db2.gz LOZHECHVGQPXDF-SNVBAGLBSA-N 1 0 315.443 1.495 10 0 DDAERO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1cccc2cnccc21 ZINC000189321219 291193517 /nfs/dbraw/zinc/19/35/17/291193517.db2.gz VUOYXOBILYFURK-BXUZGUMPSA-N 1 0 305.403 1.654 10 0 DDAERO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000193455518 201054687 /nfs/dbraw/zinc/05/46/87/201054687.db2.gz RLHUXWIRSNISER-IUODEOHRSA-N 1 0 320.418 1.291 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(C[C@@H](O)COc2ccc(C)cc2)CC1 ZINC000174093164 306685474 /nfs/dbraw/zinc/68/54/74/306685474.db2.gz DHIOKQXJDTVCLF-DLBZAZTESA-N 1 0 322.449 1.123 10 0 DDAERO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cn2cccn2)cc1OC ZINC000194352399 201208079 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C[NH+](C)[C@@H]1CCCN(c2nc3c(cc2C(N)=S)CCC3)C1 ZINC000091395601 193050398 /nfs/dbraw/zinc/05/03/98/193050398.db2.gz QDMRBUPBEODDHB-GFCCVEGCSA-N 1 0 304.463 1.735 10 0 DDAERO COc1cc(C[NH2+]C2CC(O)C2)cc(Br)c1O ZINC000091426754 193054420 /nfs/dbraw/zinc/05/44/20/193054420.db2.gz MKNKERMGIRGFFC-UHFFFAOYSA-N 1 0 302.168 1.776 10 0 DDAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2cc(-n3cnnn3)ccc2Cl)C1 ZINC000091545361 193071392 /nfs/dbraw/zinc/07/13/92/193071392.db2.gz BMINWQXBVICVQJ-IUCAKERBSA-N 1 0 306.757 1.382 10 0 DDAERO O[C@H](C[NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1ccc(Cl)cc1 ZINC000091669987 193087919 /nfs/dbraw/zinc/08/79/19/193087919.db2.gz GGYCHVVENRDMGL-OWCLPIDISA-N 1 0 310.825 1.826 10 0 DDAERO CC[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)[C@@H]1CN(C)CCO1 ZINC000091718346 193097214 /nfs/dbraw/zinc/09/72/14/193097214.db2.gz DXBRSCVCLVNNCR-AAEUAGOBSA-N 1 0 300.834 1.233 10 0 DDAERO C[NH2+][C@H](Cc1sccc1Br)[C@H]1CN(C)CCO1 ZINC000091717849 193097226 /nfs/dbraw/zinc/09/72/26/193097226.db2.gz 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CCOC(=O)CCN(C)S(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000045647931 183521110 /nfs/dbraw/zinc/52/11/10/183521110.db2.gz WMTOWXNPEUYMTE-NSHDSACASA-N 1 0 314.407 1.280 10 0 DDAERO CCN(CC)C(=O)C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105802650 194132079 /nfs/dbraw/zinc/13/20/79/194132079.db2.gz DBCGIPLKBKFIGI-CQSZACIVSA-N 1 0 305.426 1.246 10 0 DDAERO CC[C@@H]1CN(Cc2ccoc2C(=O)OC)CC[N@@H+]1CCOC ZINC000105836572 194143309 /nfs/dbraw/zinc/14/33/09/194143309.db2.gz OXFJMXVYRIDPKX-CQSZACIVSA-N 1 0 310.394 1.609 10 0 DDAERO CN(C[C@H]1CCCCO1)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000048950394 183698758 /nfs/dbraw/zinc/69/87/58/183698758.db2.gz PEADJHHMNFPXDQ-UONOGXRCSA-N 1 0 304.456 1.349 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2OC)cc1 ZINC000050376143 183784114 /nfs/dbraw/zinc/78/41/14/183784114.db2.gz KGUDSPUXKWNCGG-GJZGRUSLSA-N 1 0 312.435 1.642 10 0 DDAERO CC[C@@H](C(N)=S)[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000109460780 194265825 /nfs/dbraw/zinc/26/58/25/194265825.db2.gz 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/nfs/dbraw/zinc/95/38/58/183953858.db2.gz PVXPZBSNAHGLQQ-AWEZNQCLSA-N 1 0 321.471 1.954 10 0 DDAERO CN(CC1CCOCC1)S(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000111167084 194397148 /nfs/dbraw/zinc/39/71/48/194397148.db2.gz ZJCJGCCZGHUXAH-UHFFFAOYSA-N 1 0 316.398 1.332 10 0 DDAERO Cn1ncc2c1nc(C[N@H+](C)C[C@H]1CCCOC1)nc2Cl ZINC000111162557 194397219 /nfs/dbraw/zinc/39/72/19/194397219.db2.gz KDPIDFQMRNJPQV-SNVBAGLBSA-N 1 0 309.801 1.875 10 0 DDAERO CN(C[C@@H]1CCCOC1)S(=O)(=O)Cc1ccccc1C[NH3+] ZINC000111167037 194397554 /nfs/dbraw/zinc/39/75/54/194397554.db2.gz JUBWWSWACHPRLB-ZDUSSCGKSA-N 1 0 312.435 1.334 10 0 DDAERO CS(=O)(=O)C[C@H]([NH3+])Cc1ccc(Br)cc1F ZINC000060705341 184154633 /nfs/dbraw/zinc/15/46/33/184154633.db2.gz LJBMLTXXIMMFGZ-SECBINFHSA-N 1 0 310.188 1.503 10 0 DDAERO CS(=O)(=O)C[C@@H]([NH3+])Cc1ccc(Br)cc1F ZINC000060705343 184154675 /nfs/dbraw/zinc/15/46/75/184154675.db2.gz LJBMLTXXIMMFGZ-VIFPVBQESA-N 1 0 310.188 1.503 10 0 DDAERO C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CN1CCC[NH2+]CC1 ZINC000061271986 184167140 /nfs/dbraw/zinc/16/71/40/184167140.db2.gz HUJXCFMMYCAEAF-NSHDSACASA-N 1 0 307.360 1.471 10 0 DDAERO COCCN(C)CC[NH2+]CC(=O)Nc1cc(Cl)ccc1C ZINC000061378745 184169487 /nfs/dbraw/zinc/16/94/87/184169487.db2.gz YVGKVLQAIVEJAU-UHFFFAOYSA-N 1 0 313.829 1.755 10 0 DDAERO CCNc1ccc(Cl)c(C(=O)NCC[N@H+](C)CCOC)n1 ZINC000061401190 184170427 /nfs/dbraw/zinc/17/04/27/184170427.db2.gz AUWKCRYOQIOSLJ-UHFFFAOYSA-N 1 0 314.817 1.475 10 0 DDAERO C[NH+](C)C[C@@H]1CCCN1c1nc(Cl)nc(N2CCCC2)n1 ZINC000061654803 184181101 /nfs/dbraw/zinc/18/11/01/184181101.db2.gz GTNFCGJKQVDIKF-NSHDSACASA-N 1 0 310.833 1.656 10 0 DDAERO C[C@@H](c1cccc(Cl)c1)N(C)[C@@H]1CS(=O)(=O)C[C@@H]1[NH3+] ZINC000062014497 184201599 /nfs/dbraw/zinc/20/15/99/184201599.db2.gz QYBHVOHEULKQHL-TVYUQYBPSA-N 1 0 302.827 1.457 10 0 DDAERO CS(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000062113409 184206299 /nfs/dbraw/zinc/20/62/99/184206299.db2.gz PAZOJLFKTBBBLS-MRVPVSSYSA-N 1 0 302.783 1.292 10 0 DDAERO C[NH+](C)CCC(=O)N1CCN(C(=O)Oc2ccccc2)CC1 ZINC000062127111 184207199 /nfs/dbraw/zinc/20/71/99/184207199.db2.gz FZJUGRVNQGOKAN-UHFFFAOYSA-N 1 0 305.378 1.281 10 0 DDAERO CC1(C(=O)N2CCN(Cc3cccs3)CC2)CC[NH2+]CC1 ZINC000062840507 184255480 /nfs/dbraw/zinc/25/54/80/184255480.db2.gz ILBMXBOMUKYOLT-UHFFFAOYSA-N 1 0 307.463 1.782 10 0 DDAERO COc1ccc(S(=O)(=O)N[C@@H]2CCCCC[C@@H]2[NH3+])cc1C ZINC000063213350 184278320 /nfs/dbraw/zinc/27/83/20/184278320.db2.gz BZDCHXQCDVFLDN-UONOGXRCSA-N 1 0 312.435 1.942 10 0 DDAERO [NH3+][C@H]1CCCCC[C@H]1NS(=O)(=O)c1c[nH]c2ncccc12 ZINC000063213238 184278425 /nfs/dbraw/zinc/27/84/25/184278425.db2.gz SRMUSIHHLATJJA-NWDGAFQWSA-N 1 0 308.407 1.501 10 0 DDAERO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(C)cc2N)C1 ZINC000062975678 184263826 /nfs/dbraw/zinc/26/38/26/184263826.db2.gz LLMQLVDYKXFXAJ-ZDUSSCGKSA-N 1 0 311.451 1.682 10 0 DDAERO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1N ZINC000062975730 184264006 /nfs/dbraw/zinc/26/40/06/184264006.db2.gz AMDIBNWXVXUWGH-CYBMUJFWSA-N 1 0 309.435 1.436 10 0 DDAERO NC(=[NH2+])c1c(Cl)cccc1N1CC[C@H](N2CCOCC2)C1 ZINC000062980612 184264561 /nfs/dbraw/zinc/26/45/61/184264561.db2.gz VSUYENVKEHFVMF-NSHDSACASA-N 1 0 308.813 1.535 10 0 DDAERO COc1ccc(C[C@H](C)[NH3+])cc1OCCCS(C)(=O)=O ZINC000063017565 184267090 /nfs/dbraw/zinc/26/70/90/184267090.db2.gz JTBUWZACOUPERI-NSHDSACASA-N 1 0 301.408 1.398 10 0 DDAERO CC(C)[NH2+]C[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000063138650 184273409 /nfs/dbraw/zinc/27/34/09/184273409.db2.gz NJADNZCISBWJDC-HUUCEWRRSA-N 1 0 317.499 1.673 10 0 DDAERO CCOCCS(=O)(=O)N(CCC[NH3+])c1ccccc1C ZINC000063153252 184274159 /nfs/dbraw/zinc/27/41/59/184274159.db2.gz QJHJKYAAEOHHNZ-UHFFFAOYSA-N 1 0 300.424 1.517 10 0 DDAERO CC(C)COc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000063175507 184276066 /nfs/dbraw/zinc/27/60/66/184276066.db2.gz RGDAPLPITGIYIK-CABCVRRESA-N 1 0 312.435 1.880 10 0 DDAERO COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2[NH3+])cc1Cl ZINC000063175131 184276187 /nfs/dbraw/zinc/27/61/87/184276187.db2.gz UPEWMLDYBZVDTR-WDEREUQCSA-N 1 0 304.799 1.507 10 0 DDAERO Cc1ccc(C)c(O[C@H](C)C(=O)N2CCN(CCC[NH3+])CC2)c1 ZINC000066142933 184392901 /nfs/dbraw/zinc/39/29/01/184392901.db2.gz QWUIKVAMXJVADM-MRXNPFEDSA-N 1 0 319.449 1.564 10 0 DDAERO CSC[C@H](C)C[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000069448078 184515243 /nfs/dbraw/zinc/51/52/43/184515243.db2.gz HZSGAVGYGMIFGR-BXUZGUMPSA-N 1 0 317.476 1.712 10 0 DDAERO CCC[C@H](C(=O)NCC(=O)Nc1ccc(OCC)cc1)[NH+](C)C ZINC000119708847 195023705 /nfs/dbraw/zinc/02/37/05/195023705.db2.gz FZUMWTJHOCZAAG-OAHLLOKOSA-N 1 0 321.421 1.870 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000175330692 285240140 /nfs/dbraw/zinc/24/01/40/285240140.db2.gz ATWRWFDITZDTOJ-CQSZACIVSA-N 1 0 322.453 1.267 10 0 DDAERO O=C(NCCc1cc(Cl)cc(Cl)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000153372580 196873480 /nfs/dbraw/zinc/87/34/80/196873480.db2.gz GKYSGFGCAIQWEG-RYUDHWBXSA-N 1 0 303.189 1.375 10 0 DDAERO Cc1ncc(CN2CCN(CC[C@H]3CCOC3=O)CC2)s1 ZINC000120466310 195172794 /nfs/dbraw/zinc/17/27/94/195172794.db2.gz SXMZUBGYIIFHAU-ZDUSSCGKSA-N 1 0 309.435 1.522 10 0 DDAERO CC[C@H]1CN(Cc2ccc(C(=O)N(C)C)[nH]2)CC[N@@H+]1CCOC ZINC000120924171 195265548 /nfs/dbraw/zinc/26/55/48/195265548.db2.gz WQQGWTCQXDTDHO-HNNXBMFYSA-N 1 0 322.453 1.259 10 0 DDAERO C[NH+](C)C[C@@H]1Cn2nccc2CN(C(=O)COC2CCCC2)C1 ZINC000248157082 257107855 /nfs/dbraw/zinc/10/78/55/257107855.db2.gz ZLYTWVGHAJNHRA-AWEZNQCLSA-N 1 0 320.437 1.362 10 0 DDAERO COCCNC(=O)[C@@H]1CO[C@@H]2CC[N@H+](Cc3ccoc3)C[C@@H]2C1 ZINC000247832843 257116134 /nfs/dbraw/zinc/11/61/34/257116134.db2.gz ICSFAZXGPQDRGN-HRCADAONSA-N 1 0 322.405 1.269 10 0 DDAERO O=C(Nc1cnccn1)[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2C2CCC2)O1 ZINC000247499398 257119160 /nfs/dbraw/zinc/11/91/60/257119160.db2.gz PKKZOIOEKXPQNK-IHRRRGAJSA-N 1 0 302.378 1.590 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCNC(=O)C(C)C ZINC000121803628 195350734 /nfs/dbraw/zinc/35/07/34/195350734.db2.gz XZZFMEJUOVREDR-LSDHHAIUSA-N 1 0 324.469 1.417 10 0 DDAERO COC(=O)[C@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)[NH2+]C1 ZINC000328800285 533374300 /nfs/dbraw/zinc/37/43/00/533374300.db2.gz BISBULWUUIBSCE-LBPRGKRZSA-N 1 0 312.410 1.929 10 0 in-vitro DDAERO Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])c2cccnc12 ZINC000237754080 292184461 /nfs/dbraw/zinc/18/44/61/292184461.db2.gz LJQKLXNIDWHMMP-OCCSQVGLSA-N 1 0 319.430 1.949 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)CCOC)C12CCOCC2 ZINC000186341596 286285736 /nfs/dbraw/zinc/28/57/36/286285736.db2.gz GNXGTKVUPRQYRC-RBSFLKMASA-N 1 0 301.427 1.338 10 0 DDAERO COc1ccc([C@H](C)[NH2+][C@H]2CCCS(=O)(=O)C2)cc1OC ZINC000069137279 406684133 /nfs/dbraw/zinc/68/41/33/406684133.db2.gz YVHZKFGOEZWPJQ-AAEUAGOBSA-N 1 0 313.419 1.932 10 0 DDAERO [NH3+]Cc1cccnc1-n1cc(I)cn1 ZINC000070677041 406819607 /nfs/dbraw/zinc/81/96/07/406819607.db2.gz FTNFLJRSRNBVGF-UHFFFAOYSA-N 1 0 300.103 1.331 10 0 DDAERO CCC[N@H+](CC)CCNC(=O)N[C@H]1CCCn2nc(CC)nc21 ZINC000087140987 407118338 /nfs/dbraw/zinc/11/83/38/407118338.db2.gz IHYDSWKCDVJFHE-ZDUSSCGKSA-N 1 0 322.457 1.707 10 0 DDAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]CC(=O)c2cnccn2)C1 ZINC000095083955 407206322 /nfs/dbraw/zinc/20/63/22/407206322.db2.gz OCJPWUKGKIGKSI-GFCCVEGCSA-N 1 0 320.393 1.506 10 0 DDAERO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000055900391 407207982 /nfs/dbraw/zinc/20/79/82/407207982.db2.gz MCDFXFRQOWUERV-OAHLLOKOSA-N 1 0 319.405 1.576 10 0 DDAERO CC(=O)NC[C@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000067661618 407278792 /nfs/dbraw/zinc/27/87/92/407278792.db2.gz VFVOTNBJFWPBKZ-MSOLQXFVSA-N 1 0 320.433 1.412 10 0 DDAERO CCCC[C@H](C(=O)OC)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000105914387 407357438 /nfs/dbraw/zinc/35/74/38/407357438.db2.gz YHZPLFIBILROJO-HUUCEWRRSA-N 1 0 300.443 1.761 10 0 DDAERO CS[C@H](CO)[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000126235793 407409351 /nfs/dbraw/zinc/40/93/51/407409351.db2.gz YECWJHQEZWXSRB-BPLDGKMQSA-N 1 0 310.463 1.388 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(C3N=NC(=S)O3)cc2)C1 ZINC000126788299 407421567 /nfs/dbraw/zinc/42/15/67/407421567.db2.gz GFGGLDMAVQGBBW-GFCCVEGCSA-N 1 0 318.402 1.801 10 0 DDAERO CC(=O)N(CCc1ccccc1)CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000126832913 407422562 /nfs/dbraw/zinc/42/25/62/407422562.db2.gz VBBPZMRFZQSTLN-KRWDZBQOSA-N 1 0 317.433 1.240 10 0 DDAERO CCc1nc2n(n1)CCC[C@@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC000126868347 407423295 /nfs/dbraw/zinc/42/32/95/407423295.db2.gz QQVYAJZAEJYOON-ZDUSSCGKSA-N 1 0 305.426 1.524 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000113227985 407477269 /nfs/dbraw/zinc/47/72/69/407477269.db2.gz NZZQROVGOFRYPE-TZMCWYRMSA-N 1 0 311.385 1.837 10 0 DDAERO CCCn1nccc1NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000151698426 407481621 /nfs/dbraw/zinc/48/16/21/407481621.db2.gz MUWDXMZCAJQOLK-ZDUSSCGKSA-N 1 0 323.441 1.324 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCc1ccccc1F ZINC000113270488 407483623 /nfs/dbraw/zinc/48/36/23/407483623.db2.gz HGCTYEFFIXSZOK-DZGCQCFKSA-N 1 0 305.397 1.610 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc(F)c1F ZINC000113305398 407492693 /nfs/dbraw/zinc/49/26/93/407492693.db2.gz VTXNLNVEEIHRKP-WDEREUQCSA-N 1 0 316.373 1.822 10 0 DDAERO CNC(=O)CC[N@H+](C)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000170780892 407503417 /nfs/dbraw/zinc/50/34/17/407503417.db2.gz LVTFZIFMVPBZGE-AWEZNQCLSA-N 1 0 314.813 1.285 10 0 DDAERO Cc1ccc(-n2cc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)nn2)cc1 ZINC000195332408 407452648 /nfs/dbraw/zinc/45/26/48/407452648.db2.gz ZGPIYCHIJXSDQW-HNNXBMFYSA-N 1 0 311.389 1.496 10 0 DDAERO O[C@H](CN1CCOCC1)CN1CCCC[C@H]1c1nccs1 ZINC000195403582 407456008 /nfs/dbraw/zinc/45/60/08/407456008.db2.gz WTGHNYPGFHHKJO-KGLIPLIRSA-N 1 0 311.451 1.363 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(C(N)=O)cc1 ZINC000113594298 407518089 /nfs/dbraw/zinc/51/80/89/407518089.db2.gz LXFIQOKXQILWHZ-SWLSCSKDSA-N 1 0 316.405 1.164 10 0 DDAERO CCCOc1ccccc1NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170843090 407527670 /nfs/dbraw/zinc/52/76/70/407527670.db2.gz NHGKZSSNLAKZHQ-CYBMUJFWSA-N 1 0 319.405 1.576 10 0 DDAERO CCC[C@H](C(=O)NCC(=O)N1CCCc2ccccc21)[NH+](C)C ZINC000178653191 407531831 /nfs/dbraw/zinc/53/18/31/407531831.db2.gz AZYIJYVELSMBFT-MRXNPFEDSA-N 1 0 317.433 1.812 10 0 DDAERO CN(CCCNC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000170863129 407534648 /nfs/dbraw/zinc/53/46/48/407534648.db2.gz UWOHUAXCADUJBR-INIZCTEOSA-N 1 0 304.438 1.858 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(Cl)ccc2-n2cnnn2)C1 ZINC000170866558 407539540 /nfs/dbraw/zinc/53/95/40/407539540.db2.gz OOQQRBPZWUWCAU-NSHDSACASA-N 1 0 320.784 1.092 10 0 DDAERO Brc1cnccc1N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261571460 407544365 /nfs/dbraw/zinc/54/43/65/407544365.db2.gz LBKKWYGLUBLTFQ-LLVKDONJSA-N 1 0 311.227 1.328 10 0 DDAERO CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000227657682 407635563 /nfs/dbraw/zinc/63/55/63/407635563.db2.gz CTAINNCEFXRICF-STQMWFEESA-N 1 0 313.442 1.748 10 0 DDAERO c1nc2ccccc2n1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261867194 407646434 /nfs/dbraw/zinc/64/64/34/407646434.db2.gz CRYINBSHNUUMQC-UXLLHSPISA-N 1 0 314.433 1.783 10 0 DDAERO O=C(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)N1CCCCCC1 ZINC000261867160 407648069 /nfs/dbraw/zinc/64/80/69/407648069.db2.gz CRRBXKGRRUFMHB-BRWVUGGUSA-N 1 0 323.481 1.526 10 0 DDAERO COCCCOc1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000171278840 407648186 /nfs/dbraw/zinc/64/81/86/407648186.db2.gz MMMXCIZKZWSXNB-OAHLLOKOSA-N 1 0 319.405 1.417 10 0 DDAERO CCN(C)C(=O)CC[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000130358522 407680433 /nfs/dbraw/zinc/68/04/33/407680433.db2.gz MBOOLQHKDLZWIT-HNNXBMFYSA-N 1 0 307.442 1.475 10 0 DDAERO CN(C)c1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261942327 407681986 /nfs/dbraw/zinc/68/19/86/407681986.db2.gz NAIOCLOOZWDTEV-BRWVUGGUSA-N 1 0 303.450 1.999 10 0 DDAERO c1ccc(COCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000261940997 407682771 /nfs/dbraw/zinc/68/27/71/407682771.db2.gz MUMRCVPWLOEZMA-KURKYZTESA-N 1 0 304.434 1.950 10 0 DDAERO C[C@@H]1CN(C(=O)c2ncccc2Br)C[C@H]1[NH+](C)C ZINC000231764032 407698757 /nfs/dbraw/zinc/69/87/57/407698757.db2.gz DAMZSKFOSWYWMF-MWLCHTKSSA-N 1 0 312.211 1.866 10 0 DDAERO CCn1c(C)nnc1CN(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000171552182 407700408 /nfs/dbraw/zinc/70/04/08/407700408.db2.gz KYWMRFVKCHLCGD-AWEZNQCLSA-N 1 0 315.425 1.497 10 0 DDAERO c1cn2c(n1)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)CCC2 ZINC000261981432 407701103 /nfs/dbraw/zinc/70/11/03/407701103.db2.gz RSPASCIJLBIKCG-JJXSEGSLSA-N 1 0 304.438 1.507 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(C(=O)/C=C/c2ccc(Cl)nc2)CC1 ZINC000131025508 407716360 /nfs/dbraw/zinc/71/63/60/407716360.db2.gz XCOZUNCSJKYBMW-YVARQFDVSA-N 1 0 323.824 1.663 10 0 DDAERO CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2c2ccco2)CC1 ZINC000116295780 407741476 /nfs/dbraw/zinc/74/14/76/407741476.db2.gz PCXAGGXTSUDRPD-HUUCEWRRSA-N 1 0 305.422 1.969 10 0 DDAERO O=S(=O)(c1cccc(F)c1F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171770490 407763741 /nfs/dbraw/zinc/76/37/41/407763741.db2.gz VHZOXUPZBIUYGS-SNVBAGLBSA-N 1 0 302.346 1.434 10 0 DDAERO CCC[C@@H](C(=O)N1CC[S@](=O)C(CC)(CC)C1)[NH+](C)C ZINC000186784399 407769444 /nfs/dbraw/zinc/76/94/44/407769444.db2.gz FWJRKWDVPZNPIZ-RBZFPXEDSA-N 1 0 302.484 1.866 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N[C@H](C)COc1ccc(C(C)(C)C)cc1 ZINC000262275399 407781450 /nfs/dbraw/zinc/78/14/50/407781450.db2.gz KZRSMGDOWZKDFB-IUODEOHRSA-N 1 0 308.422 1.841 10 0 DDAERO Cc1ccccc1SCC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116788492 407777748 /nfs/dbraw/zinc/77/77/48/407777748.db2.gz GPAHEFHPFALESE-AWEZNQCLSA-N 1 0 308.447 1.876 10 0 DDAERO NCc1nc(CN2CCC[N@H+](Cc3ccccc3)CC2)no1 ZINC000262299403 407788507 /nfs/dbraw/zinc/78/85/07/407788507.db2.gz XFJYIOYJUOMKFO-UHFFFAOYSA-N 1 0 301.394 1.236 10 0 DDAERO CCOCCC1(CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000132728175 407801742 /nfs/dbraw/zinc/80/17/42/407801742.db2.gz IOELGZXXAMSGFE-AWEZNQCLSA-N 1 0 313.442 1.165 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)NCc2cc(F)ccc2F)CCO1 ZINC000117046209 407810272 /nfs/dbraw/zinc/81/02/72/407810272.db2.gz YJGFJHCGLWRNGF-ZDUSSCGKSA-N 1 0 313.348 1.437 10 0 DDAERO CCc1nc(CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cs1 ZINC000117047666 407810404 /nfs/dbraw/zinc/81/04/04/407810404.db2.gz JGNORJOTURFSFM-LBPRGKRZSA-N 1 0 312.439 1.178 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000262376355 407817450 /nfs/dbraw/zinc/81/74/50/407817450.db2.gz XGISTVHRAHURKQ-JOYOIKCWSA-N 1 0 304.312 1.726 10 0 DDAERO COC[C@H]([NH3+])C(=O)NCC(C)(C)c1ccc(OC)c(OC)c1 ZINC000262392227 407822329 /nfs/dbraw/zinc/82/23/29/407822329.db2.gz YXKRPRNKWGLXHW-LBPRGKRZSA-N 1 0 310.394 1.071 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1nnc(Cc2ccc(C)cc2)s1 ZINC000262544705 407862896 /nfs/dbraw/zinc/86/28/96/407862896.db2.gz NUWBRWZKRGBVJV-LLVKDONJSA-N 1 0 306.391 1.350 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000262576354 407871300 /nfs/dbraw/zinc/87/13/00/407871300.db2.gz TVCGEMIYCWDDPU-NWDGAFQWSA-N 1 0 312.341 1.296 10 0 DDAERO COCCOc1c(Cl)cccc1NC(=O)[C@@H]([NH3+])COC ZINC000262587378 407874061 /nfs/dbraw/zinc/87/40/61/407874061.db2.gz VPEJQYDIOYJLCQ-JTQLQIEISA-N 1 0 302.758 1.277 10 0 DDAERO C[C@@H](NC(=O)Nc1ccccc1)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262581482 407874150 /nfs/dbraw/zinc/87/41/50/407874150.db2.gz POIYVXWWRCLTAN-GFCCVEGCSA-N 1 0 306.410 1.640 10 0 DDAERO CCC([NH3+])(CC)CNC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000262642908 407888293 /nfs/dbraw/zinc/88/82/93/407888293.db2.gz RCTMOWKZFVYWDU-LBPRGKRZSA-N 1 0 306.410 1.830 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(COC)ncn1 ZINC000181051803 407948132 /nfs/dbraw/zinc/94/81/32/407948132.db2.gz IOZAYWSAPMESHF-ZDUSSCGKSA-N 1 0 307.398 1.571 10 0 DDAERO O=C(C[C@@H]1CSCC[NH2+]1)NC[C@H](O)c1ccc(Cl)cc1 ZINC000262833961 407952831 /nfs/dbraw/zinc/95/28/31/407952831.db2.gz VSBTXIVULKAYLN-OLZOCXBDSA-N 1 0 314.838 1.585 10 0 DDAERO CCC[C@H](C(=O)Nc1cccc(NS(C)(=O)=O)c1)[NH+](C)C ZINC000134955791 407954173 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WWATZFIHYSFQFR-QXAKKESOSA-N 1 0 317.477 1.817 10 0 DDAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1ccccc1OCc1ccccc1 ZINC000263223105 408065148 /nfs/dbraw/zinc/06/51/48/408065148.db2.gz MGXQTRMEVHRLFD-ROUUACIJSA-N 1 0 312.413 1.936 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)OC[C@@H]1CCCO1 ZINC000119436643 408068771 /nfs/dbraw/zinc/06/87/71/408068771.db2.gz PQUBJUYHCONHEX-OAGGEKHMSA-N 1 0 312.454 1.807 10 0 DDAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1ccc(Br)c(F)c1 ZINC000263268767 408084595 /nfs/dbraw/zinc/08/45/95/408084595.db2.gz RWENQOPJVZPDSY-BXKDBHETSA-N 1 0 303.175 1.258 10 0 DDAERO Cc1cncc(CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000119596799 408100027 /nfs/dbraw/zinc/10/00/27/408100027.db2.gz NBAWSGGGHUELBD-HNNXBMFYSA-N 1 0 306.410 1.036 10 0 DDAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccc(-n3ccnc3)cc2)n1 ZINC000263311418 408101902 /nfs/dbraw/zinc/10/19/02/408101902.db2.gz YUMULGYRIPVEFK-CQSZACIVSA-N 1 0 310.361 1.498 10 0 DDAERO CCOc1cccc(CNC[C@@H]2C[NH2+]C[C@H]2O)c1OC(F)F ZINC000263319086 408104794 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Cc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)c1 ZINC000262006909 698450411 /nfs/dbraw/zinc/45/04/11/698450411.db2.gz VDPCEHRTSSOAMQ-ZJPYXAASSA-N 1 0 304.434 1.775 10 0 DDAERO Cc1c[nH+]ccc1NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702842571 699233974 /nfs/dbraw/zinc/23/39/74/699233974.db2.gz NQRAQIGNKWXSEU-JSGCOSHPSA-N 1 0 307.394 1.452 10 0 DDAERO CC(C)(C)OC(=O)N1C[C@@H](C[NH2+]C2CCC(O)CC2)[C@H](O)C1 ZINC000702841629 699234017 /nfs/dbraw/zinc/23/40/17/699234017.db2.gz IOOVJTWGKQCCFX-BLYZHGLHSA-N 1 0 314.426 1.107 10 0 DDAERO CCOC(=O)C1CCC(O)(C[NH2+]C2CC(SC)C2)CC1 ZINC000707119837 699245481 /nfs/dbraw/zinc/24/54/81/699245481.db2.gz DJMUEJYKCLLQFV-UHFFFAOYSA-N 1 0 301.452 1.954 10 0 DDAERO C[C@H](C[S@](C)=O)[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711490689 699258647 /nfs/dbraw/zinc/25/86/47/699258647.db2.gz LUFFTPYCRSJOGB-JQMOJSTJSA-N 1 0 304.456 1.646 10 0 DDAERO C[C@H](C[NH2+]C1CC(S(C)(=O)=O)C1)N(C)C(=O)OC(C)(C)C ZINC000716156977 699281774 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CC(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2C)CC[C@@H]1C(F)(F)F ZINC000886065507 708691094 /nfs/dbraw/zinc/69/10/94/708691094.db2.gz HCJXCAXJNMTOHM-QWHCGFSZSA-N 1 0 318.343 1.760 10 0 DDAERO COc1ccccc1C[NH2+]C[C@H]1C[C@H](c2n[nH]c(C)n2)C[C@H]1O ZINC000888076220 709209444 /nfs/dbraw/zinc/20/94/44/709209444.db2.gz JSUOJANZLDHRRF-RRFJBIMHSA-N 1 0 316.405 1.766 10 0 DDAERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2NC(=O)Cc2cnn(C)c2C)C1 ZINC000888076793 709209899 /nfs/dbraw/zinc/20/98/99/709209899.db2.gz DURGBRQXANLJIY-XHSDSOJGSA-N 1 0 320.437 1.029 10 0 DDAERO C[NH+]1C[C@]2(C)CN(C(=O)c3c[nH]nc3[C@H]3CCOC3)C[C@@]2(C)C1 ZINC000913281001 713190166 /nfs/dbraw/zinc/19/01/66/713190166.db2.gz JQIVLJPMFLQQRT-JCURWCKSSA-N 1 0 318.421 1.327 10 0 DDAERO CCn1cc(O[C@@H]2COC[C@@H]2[NH2+]Cc2ccc(O)c(F)c2)cn1 ZINC000895055192 711389405 /nfs/dbraw/zinc/38/94/05/711389405.db2.gz SVKADHHOJJGXSM-GOEBONIOSA-N 1 0 321.352 1.684 10 0 DDAERO Cc1cc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)cnc1Cl ZINC000181230084 199268542 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C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3cccnc3)CC2)CCO1 ZINC000079427346 185171269 /nfs/dbraw/zinc/17/12/69/185171269.db2.gz WTOQYQRYFLANJS-CYBMUJFWSA-N 1 0 304.394 1.799 10 0 DDAERO O[C@@H]1C[NH2+]C[C@H]1Oc1ccccc1I ZINC000082524992 185190844 /nfs/dbraw/zinc/19/08/44/185190844.db2.gz JHBKXIXCUWKWDR-PSASIEDQSA-N 1 0 305.115 1.003 10 0 DDAERO COc1ccc(C)cc1S(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249603845 282183209 /nfs/dbraw/zinc/18/32/09/282183209.db2.gz QYGQBDYHIWMAPR-ZDUSSCGKSA-N 1 0 310.419 1.472 10 0 DDAERO CC(C)[C@@H](C[NH3+])NC(=O)c1ccc(Br)cc1O ZINC000087403449 185223930 /nfs/dbraw/zinc/22/39/30/185223930.db2.gz XIQBSGPMDWHTHE-SNVBAGLBSA-N 1 0 301.184 1.868 10 0 DDAERO CC(C)[C@H](C[NH3+])C(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000087525947 185227616 /nfs/dbraw/zinc/22/76/16/185227616.db2.gz QLZRNLBCJKOTPE-MCIONIFRSA-N 1 0 300.468 1.730 10 0 DDAERO CCC[C@@H](C[NH3+])C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000087532677 185227736 /nfs/dbraw/zinc/22/77/36/185227736.db2.gz DABHJTCRZJSPIE-AAEUAGOBSA-N 1 0 312.435 1.642 10 0 DDAERO C[C@@H]([NH3+])CCC[C@@H](C)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000087699355 185230699 /nfs/dbraw/zinc/23/06/99/185230699.db2.gz TWCNXGPQYPWEPK-VXGBXAGGSA-N 1 0 309.376 1.847 10 0 DDAERO NNc1cc(Sc2ncccc2Br)nc(N)[nH+]1 ZINC000087894738 185235138 /nfs/dbraw/zinc/23/51/38/185235138.db2.gz HIXOBSXNTCMMDG-UHFFFAOYSA-N 1 0 313.184 1.653 10 0 DDAERO [NH3+][C@]1(C(=O)Nc2ccc(Br)c(F)c2)CCOC1 ZINC000088083778 185239057 /nfs/dbraw/zinc/23/90/57/185239057.db2.gz BQEGIXUYJGRKKX-LLVKDONJSA-N 1 0 303.131 1.645 10 0 DDAERO C[NH2+][C@H](Cc1ccccc1Br)[C@@H]1COCCO1 ZINC000087857484 185233648 /nfs/dbraw/zinc/23/36/48/185233648.db2.gz YBAHAPFGJYAZDN-OLZOCXBDSA-N 1 0 300.196 1.995 10 0 DDAERO CCN1CCC[C@@H](Nc2nc(NN)[nH+]cc2Br)C1 ZINC000087865485 185233771 /nfs/dbraw/zinc/23/37/71/185233771.db2.gz QIUAMBNUXFRPFA-MRVPVSSYSA-N 1 0 315.219 1.421 10 0 DDAERO CC[C@H]1CO[C@@H](C)CN1c1nc(NN)[nH+]cc1Br ZINC000087864298 185233970 /nfs/dbraw/zinc/23/39/70/185233970.db2.gz XWENWCUIRZIPGX-YUMQZZPRSA-N 1 0 316.203 1.528 10 0 DDAERO [NH3+]C[C@H](c1ccccc1Br)N1CCCNC(=O)C1 ZINC000087882613 185234385 /nfs/dbraw/zinc/23/43/85/185234385.db2.gz JXMBDOATGTUXDC-GFCCVEGCSA-N 1 0 312.211 1.271 10 0 DDAERO CC[NH2+][C@@H](c1ccccc1)[C@@H](CC)S(=O)(=O)CC(=O)OC ZINC000081975535 192348268 /nfs/dbraw/zinc/34/82/68/192348268.db2.gz GGLMZGXXVHUMOF-HIFRSBDPSA-N 1 0 313.419 1.704 10 0 DDAERO CCC[C@@H]1CC[C@H]([NH2+]CC)[C@H](S(=O)(=O)CC(=O)OCC)C1 ZINC000081977191 192348308 /nfs/dbraw/zinc/34/83/08/192348308.db2.gz ZJVLXJJPMALORH-HZSPNIEDSA-N 1 0 319.467 1.911 10 0 DDAERO CCCCN(C)S(=O)(=O)N1CC[NH2+]CC12CCCCC2 ZINC000088396170 185248492 /nfs/dbraw/zinc/24/84/92/185248492.db2.gz NMCFVETWWCACEA-UHFFFAOYSA-N 1 0 303.472 1.571 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)NCCc2nc3c(s2)CCCC3)C1 ZINC000154004157 290659352 /nfs/dbraw/zinc/65/93/52/290659352.db2.gz AWBOOGUKRPJHNC-GFCCVEGCSA-N 1 0 322.478 1.910 10 0 DDAERO CNS(=O)(=O)c1ccc(CNCC[NH+](C(C)C)C(C)C)o1 ZINC000088539727 185255418 /nfs/dbraw/zinc/25/54/18/185255418.db2.gz PJWSWNGWUVZYFZ-UHFFFAOYSA-N 1 0 317.455 1.396 10 0 DDAERO CO[C@H]1CCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000088540613 185255625 /nfs/dbraw/zinc/25/56/25/185255625.db2.gz CWUHVSGMYDMEQU-NEPJUHHUSA-N 1 0 302.396 1.187 10 0 DDAERO [NH3+][C@H]1CCOC[C@@H]1S(=O)(=O)c1cccc(Br)c1 ZINC000081982638 192348870 /nfs/dbraw/zinc/34/88/70/192348870.db2.gz MQXRRWUXFPQOPR-QWRGUYRKSA-N 1 0 320.208 1.339 10 0 DDAERO CS(=O)(=O)c1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000081990832 192351012 /nfs/dbraw/zinc/35/10/12/192351012.db2.gz XUBRRMNVCJCNBJ-STQMWFEESA-N 1 0 317.432 1.134 10 0 DDAERO CCCCOCCOC[C@H](O)C[NH2+]C[C@](C)(O)CC(C)C ZINC000090271830 185288725 /nfs/dbraw/zinc/28/87/25/185288725.db2.gz CSAYGMWDPHYENA-HZPDHXFCSA-N 1 0 305.459 1.567 10 0 DDAERO OC[C@@H](O)C[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000090282419 185289327 /nfs/dbraw/zinc/28/93/27/185289327.db2.gz NZSNTKNJZONIDW-STQMWFEESA-N 1 0 300.196 1.249 10 0 DDAERO CCCOc1ccc(S(=O)(=O)N(CCC)C2C[NH2+]C2)cc1 ZINC000090293338 185289821 /nfs/dbraw/zinc/28/98/21/185289821.db2.gz YRWNTANWNWWCRL-UHFFFAOYSA-N 1 0 312.435 1.848 10 0 DDAERO CCc1ccc(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@@H]3[C@@H]2CC)s1 ZINC000090331567 185291401 /nfs/dbraw/zinc/29/14/01/185291401.db2.gz DKZJNELMVCUEFV-DRZSPHRISA-N 1 0 314.476 1.929 10 0 DDAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)N(C)C1CCCCC1 ZINC000090331879 185291480 /nfs/dbraw/zinc/29/14/80/185291480.db2.gz XOLRAFLFJTUWLK-VHDGCEQUSA-N 1 0 315.483 1.426 10 0 DDAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C1=NS(=O)(=O)c2ccccc21 ZINC000090334049 185291487 /nfs/dbraw/zinc/29/14/87/185291487.db2.gz QKHLEBYFQWHVCM-KGYLQXTDSA-N 1 0 305.403 1.065 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)CC1CCCCC1 ZINC000090336969 185291777 /nfs/dbraw/zinc/29/17/77/185291777.db2.gz PNMPHFXFDSGVNT-ZIAGYGMSSA-N 1 0 300.468 1.826 10 0 DDAERO Cc1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2(C)C)s1 ZINC000090336868 185291778 /nfs/dbraw/zinc/29/17/78/185291778.db2.gz YQPANBUVQYWBJO-MNOVXSKESA-N 1 0 300.449 1.675 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)N(C)Cc1c(F)cccc1Cl ZINC000090434525 185296226 /nfs/dbraw/zinc/29/62/26/185296226.db2.gz PVRYSPRLMRYMEA-GXFFZTMASA-N 1 0 300.761 1.672 10 0 DDAERO CCOCC(=O)N1CCCSC[C@H]1C[NH+]1CCCCC1 ZINC000090701301 185310329 /nfs/dbraw/zinc/31/03/29/185310329.db2.gz RCHDRBYTNATQFS-CQSZACIVSA-N 1 0 300.468 1.843 10 0 DDAERO C[NH+](C)C[C@@H]1CSCCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000090699836 185310472 /nfs/dbraw/zinc/31/04/72/185310472.db2.gz RKXRVELFYOMVHN-CYBMUJFWSA-N 1 0 322.430 1.925 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN(Cc2cccc(C)n2)CC1 ZINC000092429244 185317972 /nfs/dbraw/zinc/31/79/72/185317972.db2.gz JHKSMNGDWSKPNC-OAHLLOKOSA-N 1 0 306.479 1.962 10 0 DDAERO CCC(=O)Nc1ccc(Cl)c(NC(=O)C[NH2+]CCOC)c1 ZINC000092495357 185322291 /nfs/dbraw/zinc/32/22/91/185322291.db2.gz LVXJCSIGONVGJX-UHFFFAOYSA-N 1 0 313.785 1.863 10 0 DDAERO CCNc1ccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000092672412 185332912 /nfs/dbraw/zinc/33/29/12/185332912.db2.gz PGCAKYFBDAKFMU-AWEZNQCLSA-N 1 0 311.451 1.833 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(CO)cc1 ZINC000092678347 185333283 /nfs/dbraw/zinc/33/32/83/185333283.db2.gz GPMBQPNGSBXRCL-AWEZNQCLSA-N 1 0 312.435 1.284 10 0 DDAERO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(N)c(F)cc1F ZINC000092621946 185329941 /nfs/dbraw/zinc/32/99/41/185329941.db2.gz QVJUGWUIXMMPIX-SECBINFHSA-N 1 0 319.377 1.262 10 0 DDAERO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(N)cc(F)c1 ZINC000092622098 185330049 /nfs/dbraw/zinc/33/00/49/185330049.db2.gz OAKWWOZKKAYNPU-GFCCVEGCSA-N 1 0 301.387 1.123 10 0 DDAERO CC1(C)C(CNS(=O)(=O)c2cnn(CCC[NH3+])c2)C1(C)C ZINC000092833172 185344804 /nfs/dbraw/zinc/34/48/04/185344804.db2.gz YFKYDSPLLARIQE-UHFFFAOYSA-N 1 0 314.455 1.192 10 0 DDAERO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000092951849 185350267 /nfs/dbraw/zinc/35/02/67/185350267.db2.gz JYENTUFMYDSISX-KOLCDFICSA-N 1 0 305.769 1.857 10 0 DDAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000092951936 185350284 /nfs/dbraw/zinc/35/02/84/185350284.db2.gz ASWITNMXSBEDIU-GZMMTYOYSA-N 1 0 318.345 1.619 10 0 DDAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C ZINC000092951472 185350476 /nfs/dbraw/zinc/35/04/76/185350476.db2.gz AEQYIZLKVSGPOF-GXSJLCMTSA-N 1 0 309.797 1.978 10 0 DDAERO C[NH2+][C@@H](C[C@@H]1CCS(=O)(=O)C1)c1ccc(OC)c(F)c1 ZINC000097130045 185413398 /nfs/dbraw/zinc/41/33/98/185413398.db2.gz GVKPPNKKNXKRLF-GWCFXTLKSA-N 1 0 301.383 1.920 10 0 DDAERO CNC(=O)c1ccc([C@H]2CCCC[N@@H+]2CCn2cccn2)n1C ZINC000328642043 529944526 /nfs/dbraw/zinc/94/45/26/529944526.db2.gz QUFXRUNSVYSPQQ-OAHLLOKOSA-N 1 0 315.421 1.808 10 0 DDAERO CC[NH2+][C@@H](C)C1CCN(S(=O)(=O)C[C@@H]2CCCO2)CC1 ZINC000111714578 185629307 /nfs/dbraw/zinc/62/93/07/185629307.db2.gz MSTAWKJONDTHBV-JSGCOSHPSA-N 1 0 304.456 1.205 10 0 DDAERO NS(=O)(=O)c1ccc(N2CCCC[C@H]2C[NH2+]C2CC2)cc1 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O=C(C[C@H]1CCC[NH2+]C1)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000054307495 352686171 /nfs/dbraw/zinc/68/61/71/352686171.db2.gz NBBZRTMSGCGXMO-VXGBXAGGSA-N 1 0 307.360 1.377 10 0 DDAERO CCc1cnc(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)s1 ZINC000174205269 198305833 /nfs/dbraw/zinc/30/58/33/198305833.db2.gz PGLMYVWDZNTGLH-LLVKDONJSA-N 1 0 312.439 1.674 10 0 DDAERO C[C@@H](O)CN1CCN(C(=O)c2ccc3c(c2)CCC3)C[C@H]1C ZINC000174292245 198315273 /nfs/dbraw/zinc/31/52/73/198315273.db2.gz NACMDDQIWXMAFD-ZIAGYGMSSA-N 1 0 302.418 1.702 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCOc2ccccc2)C[C@H]1C ZINC000174301861 198317467 /nfs/dbraw/zinc/31/74/67/198317467.db2.gz OZQGXNFHDILUFF-HZPDHXFCSA-N 1 0 320.433 1.759 10 0 DDAERO COC(=O)CC[N@@H+]1CCN(Cc2nccn2C(C)C)[C@H](C)C1 ZINC000182104719 199387526 /nfs/dbraw/zinc/38/75/26/199387526.db2.gz MMPPFGHFMFGHNS-CQSZACIVSA-N 1 0 308.426 1.533 10 0 DDAERO Cc1nccn1-c1cncc(N(C)CC2CC[NH+](C)CC2)n1 ZINC000092895174 353874013 /nfs/dbraw/zinc/87/40/13/353874013.db2.gz CHXIUNXRTIVGCV-UHFFFAOYSA-N 1 0 300.410 1.749 10 0 DDAERO COC(=O)C[C@H](NC(=O)c1ccc(C[NH3+])o1)c1ccccc1 ZINC000150782210 354177626 /nfs/dbraw/zinc/17/76/26/354177626.db2.gz SQZQURNUFUZPSS-ZDUSSCGKSA-N 1 0 302.330 1.773 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(C[C@H](O)CCc2ccccc2)CC1 ZINC000182417966 354273106 /nfs/dbraw/zinc/27/31/06/354273106.db2.gz WIRDUKTZBNWGBC-ZWKOTPCHSA-N 1 0 306.450 1.369 10 0 DDAERO CC[C@@H]1CN(C(=O)CCc2c(C)n[nH]c2C)CC[N@@H+]1C[C@H](C)O ZINC000246885031 354362329 /nfs/dbraw/zinc/36/23/29/354362329.db2.gz ORUJZWQPYDYNNN-SWLSCSKDSA-N 1 0 322.453 1.263 10 0 DDAERO Cc1cccc(C(=O)N2CCO[C@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000328631585 354553512 /nfs/dbraw/zinc/55/35/12/354553512.db2.gz KRWFWGXONQENOK-OAHLLOKOSA-N 1 0 303.406 1.573 10 0 DDAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ncc[nH]c3=O)C2)C[C@H](C)O1 ZINC000328632275 354554556 /nfs/dbraw/zinc/55/45/56/354554556.db2.gz LHJULNKLTQXDPE-CRWXNKLISA-N 1 0 306.410 1.697 10 0 DDAERO Clc1nc2nc(N3CCCC3)sc2c(N2CC[NH2+]CC2)n1 ZINC000073736039 191349338 /nfs/dbraw/zinc/34/93/38/191349338.db2.gz UARDZOSNHFKJLI-UHFFFAOYSA-N 1 0 324.841 1.750 10 0 DDAERO NS(=O)(=O)[C@H]1CC[C@@H](c2cccc(C(F)(F)F)c2)[NH2+]C1 ZINC000080097594 192001004 /nfs/dbraw/zinc/00/10/04/192001004.db2.gz COXSLPDJUNXKEQ-QWRGUYRKSA-N 1 0 308.325 1.787 10 0 DDAERO C[C@H](O)[C@@H]([NH3+])CNC(=O)c1cc(F)cc(Br)c1 ZINC000080696889 192183691 /nfs/dbraw/zinc/18/36/91/192183691.db2.gz INFSXMDEYHYPGG-WKEGUHRASA-N 1 0 305.147 1.026 10 0 DDAERO C[C@H]1CCC[C@@]([NH3+])(C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000080905153 192199479 /nfs/dbraw/zinc/19/94/79/192199479.db2.gz MXMNHQKFUWQDFO-HZMBPMFUSA-N 1 0 311.407 1.180 10 0 DDAERO C[C@H]1CCC[C@@]([NH3+])(C(=O)N2CCN(CC(F)(F)F)CC2)C1 ZINC000080927660 192202501 /nfs/dbraw/zinc/20/25/01/192202501.db2.gz VHNAZZCKPWOOFU-AAEUAGOBSA-N 1 0 307.360 1.601 10 0 DDAERO O=C1NCC[C@H]1[NH2+]Cc1ccc(I)cc1 ZINC000594961824 356364579 /nfs/dbraw/zinc/36/45/79/356364579.db2.gz JHKSNCBIODGKCE-SNVBAGLBSA-N 1 0 316.142 1.269 10 0 DDAERO CCC[NH2+]C[C@@H](CC)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081542820 192287948 /nfs/dbraw/zinc/28/79/48/192287948.db2.gz OMROSRWILOSHJN-SNVBAGLBSA-N 1 0 305.348 1.891 10 0 DDAERO COCC[C@@H](C)[NH2+]C[C@@H](O)COCCc1scnc1C ZINC000081712139 192316493 /nfs/dbraw/zinc/31/64/93/192316493.db2.gz RLWRTUZRRAQRGW-DGCLKSJQSA-N 1 0 302.440 1.386 10 0 DDAERO CCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000236920307 202071653 /nfs/dbraw/zinc/07/16/53/202071653.db2.gz TXESHUDKRIBOTI-CQSZACIVSA-N 1 0 323.824 1.752 10 0 DDAERO CCC[C@@H]([NH3+])C(=O)N1CCN(c2ccc(F)cc2OC)CC1 ZINC000236925250 202075430 /nfs/dbraw/zinc/07/54/30/202075430.db2.gz UWERHNPWOHYXLS-CYBMUJFWSA-N 1 0 309.385 1.610 10 0 DDAERO CCC1CCC(N(C)S(=O)(=O)N(C)CCC[NH2+]C)CC1 ZINC000088996634 192689231 /nfs/dbraw/zinc/68/92/31/192689231.db2.gz UQNQQHCXVAACMQ-UHFFFAOYSA-N 1 0 305.488 1.673 10 0 DDAERO CC[C@H](C)N(CCOC)S(=O)(=O)N(C)CCC[NH2+]C(C)C ZINC000089005271 192691966 /nfs/dbraw/zinc/69/19/66/192691966.db2.gz AZMSKDOLRUPYTN-AWEZNQCLSA-N 1 0 323.503 1.298 10 0 DDAERO C[C@@H](C[NH2+][C@H]1CC[C@@H](C)C[C@H]1n1cncn1)N1CCOCC1 ZINC000333390155 295974611 /nfs/dbraw/zinc/97/46/11/295974611.db2.gz CKQCEAZIFACLSE-FXUDXRNXSA-N 1 0 307.442 1.318 10 0 DDAERO CC[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)CC1CCCC1 ZINC000089036922 192712258 /nfs/dbraw/zinc/71/22/58/192712258.db2.gz ZLEWCVYIESMYLV-HNNXBMFYSA-N 1 0 317.499 1.817 10 0 DDAERO CC[C@H](C)CNS(=O)(=O)N1CCCC[C@@H]1C[NH2+]C1CC1 ZINC000089026029 192705445 /nfs/dbraw/zinc/70/54/45/192705445.db2.gz GEJSWVUSAOUDLF-GXTWGEPZSA-N 1 0 303.472 1.473 10 0 DDAERO C[C@@H]1CN(C(=O)c2cc(Br)c[nH]2)C[C@H]1[NH+](C)C ZINC000089710096 192848007 /nfs/dbraw/zinc/84/80/07/192848007.db2.gz SYAVJLZRIXXFBW-LDYMZIIASA-N 1 0 300.200 1.799 10 0 DDAERO CCC[C@@H](C)[NH+]1CCN(c2nc(C)nc3c2cnn3C)CC1 ZINC000187689929 200145112 /nfs/dbraw/zinc/14/51/12/200145112.db2.gz VLGCAGVGABCIHC-GFCCVEGCSA-N 1 0 302.426 1.982 10 0 DDAERO C[C@H]1OCCC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000191443842 291197808 /nfs/dbraw/zinc/19/78/08/291197808.db2.gz SJQGVHAMNBQWRZ-GDBMZVCRSA-N 1 0 305.422 1.787 10 0 DDAERO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccc2ncccc21 ZINC000158381508 283482629 /nfs/dbraw/zinc/48/26/29/283482629.db2.gz LEEFWBYKBMFRNT-WCQYABFASA-N 1 0 305.403 1.641 10 0 DDAERO C[C@](C[NH3+])(NS(=O)(=O)c1ccc2oc(=O)ccc2c1)C1CC1 ZINC000237632084 202311024 /nfs/dbraw/zinc/31/10/24/202311024.db2.gz UJCCVMWAFJRYKJ-OAHLLOKOSA-N 1 0 322.386 1.199 10 0 DDAERO C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1cc(F)c(F)cc1F ZINC000193447821 201053169 /nfs/dbraw/zinc/05/31/69/201053169.db2.gz YXSJKVOFEPFMAZ-WRWORJQWSA-N 1 0 308.325 1.523 10 0 DDAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc(NC(=O)NC2CC2)c1 ZINC000193511461 201065831 /nfs/dbraw/zinc/06/58/31/201065831.db2.gz DZJDSJSSTAMYER-ABAIWWIYSA-N 1 0 316.405 1.841 10 0 DDAERO CC[C@@H](C)NC(=O)CN1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195278458 201372373 /nfs/dbraw/zinc/37/23/73/201372373.db2.gz YZWUJWMRSCEBSB-NVXWUHKLSA-N 1 0 318.465 1.750 10 0 DDAERO C[NH2+]CCc1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090921299 192946722 /nfs/dbraw/zinc/94/67/22/192946722.db2.gz JNTCSTHCOXPOPZ-OKILXGFUSA-N 1 0 310.419 1.000 10 0 DDAERO CC[C@H](C[NH2+]CC(C)C)N1CCSC[C@@H]1S(=O)(=O)CC ZINC000090928148 192950595 /nfs/dbraw/zinc/95/05/95/192950595.db2.gz OFIPGJUWIJDICA-KGLIPLIRSA-N 1 0 322.540 1.820 10 0 DDAERO CCS(=O)(=O)[C@@H]1CSCCN1CC[NH2+][C@@H](C)C(C)C ZINC000090928355 192951811 /nfs/dbraw/zinc/95/18/11/192951811.db2.gz CYRVQKVGGZSMSG-QWHCGFSZSA-N 1 0 308.513 1.430 10 0 DDAERO CS(=O)(=O)c1ccc2[nH]c(C[C@H]3CSCC[NH2+]3)nc2c1 ZINC000091128643 192994464 /nfs/dbraw/zinc/99/44/64/192994464.db2.gz HSWNZSREZCNQTK-VIFPVBQESA-N 1 0 311.432 1.214 10 0 DDAERO COCCN(C(=O)C[C@H]1CSCC[NH2+]1)[C@H]1CCSC1 ZINC000091136197 193003357 /nfs/dbraw/zinc/00/33/57/193003357.db2.gz QFECJLPIDLJCIH-RYUDHWBXSA-N 1 0 304.481 1.062 10 0 DDAERO FC(F)(F)c1nnc2n1CCN(CC[C@@H]1CSCC[NH2+]1)C2 ZINC000091292349 193033482 /nfs/dbraw/zinc/03/34/82/193033482.db2.gz IOPSNRBTRGMVEW-SECBINFHSA-N 1 0 321.372 1.208 10 0 DDAERO CCCc1c(C[NH2+]CCOC)cnn1CCS(=O)(=O)CC ZINC000091339757 193043347 /nfs/dbraw/zinc/04/33/47/193043347.db2.gz PZAWUGALTOPLSW-UHFFFAOYSA-N 1 0 317.455 1.006 10 0 DDAERO CCC[NH2+]Cc1cnn(CCS(C)(=O)=O)c1C(F)(F)F ZINC000091339665 193043644 /nfs/dbraw/zinc/04/36/44/193043644.db2.gz GLIWNXMVRGVRMW-UHFFFAOYSA-N 1 0 313.345 1.446 10 0 DDAERO Cc1cc(N)cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)c1C ZINC000091395208 193050067 /nfs/dbraw/zinc/05/00/67/193050067.db2.gz KYCSFVKNDPZFIB-AWEZNQCLSA-N 1 0 311.451 1.600 10 0 DDAERO CCC[NH2+][C@H](C)C(C)(C)CN1CCSC[C@@H]1S(C)(=O)=O ZINC000091405602 193051509 /nfs/dbraw/zinc/05/15/09/193051509.db2.gz ZJZXWVXWCKQWDQ-OLZOCXBDSA-N 1 0 322.540 1.820 10 0 DDAERO C[C@@H](O)c1cccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000091433248 193054764 /nfs/dbraw/zinc/05/47/64/193054764.db2.gz ZTKMMPCUZOERFJ-OCCSQVGLSA-N 1 0 312.435 1.455 10 0 DDAERO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NCC3)C1 ZINC000091431752 193055219 /nfs/dbraw/zinc/05/52/19/193055219.db2.gz LVLTYOKXKFVTNY-CYBMUJFWSA-N 1 0 309.435 1.369 10 0 DDAERO CS(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000091544450 193071463 /nfs/dbraw/zinc/07/14/63/193071463.db2.gz DBGFPWJNVQACFR-RKDXNWHRSA-N 1 0 316.810 1.809 10 0 DDAERO CCn1nc(C)c(Cl)c1C[C@@H]([NH3+])C(C)(C)N1CCOCC1 ZINC000091566286 193073220 /nfs/dbraw/zinc/07/32/20/193073220.db2.gz LWRXMXBJNAOULW-CYBMUJFWSA-N 1 0 314.861 1.845 10 0 DDAERO CCC[NH2+]C[C@@H](O)Cc1c(Br)c(CC)nn1C ZINC000091469786 193060001 /nfs/dbraw/zinc/06/00/01/193060001.db2.gz VLPVMVNFAZQDPT-VIFPVBQESA-N 1 0 304.232 1.648 10 0 DDAERO CCn1nc(C)c(Br)c1C[C@@](C)(O)CC[NH2+]C ZINC000091467094 193060107 /nfs/dbraw/zinc/06/01/07/193060107.db2.gz NEKANKBPXKPWMF-LBPRGKRZSA-N 1 0 304.232 1.877 10 0 DDAERO Cc1nc(N)sc1-c1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000091686011 193091056 /nfs/dbraw/zinc/09/10/56/193091056.db2.gz PJNSEGPDWGWVPW-RKDXNWHRSA-N 1 0 307.379 1.619 10 0 DDAERO C[NH2+][C@H](Cc1ccccc1Br)[C@H]1CN(C)CCO1 ZINC000091718153 193096914 /nfs/dbraw/zinc/09/69/14/193096914.db2.gz KEOQGFWPTSLHRT-ZIAGYGMSSA-N 1 0 313.239 1.910 10 0 DDAERO C[NH2+][C@H](Cc1c(Cl)c(C)nn1C)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091720993 193097301 /nfs/dbraw/zinc/09/73/01/193097301.db2.gz VJCZFIHHKSVZGZ-BZPMIXESSA-N 1 0 312.845 1.376 10 0 DDAERO CCCN(C1CCC([NH3+])CC1)S(=O)(=O)c1cnn(C)c1 ZINC000091852188 193117827 /nfs/dbraw/zinc/11/78/27/193117827.db2.gz PXYNKAMJHCXCBV-UHFFFAOYSA-N 1 0 300.428 1.091 10 0 DDAERO [NH3+]CC1([C@H](O)c2cc(Cl)c3c(c2)OCCO3)CCOCC1 ZINC000091910000 193125185 /nfs/dbraw/zinc/12/51/85/193125185.db2.gz OVWSBRYNXYJYOS-CQSZACIVSA-N 1 0 313.781 1.900 10 0 DDAERO C[C@@H]1CN(S(=O)(=O)N2CCC(C[NH2+]C3CC3)CC2)C[C@H]1C ZINC000092113577 193161687 /nfs/dbraw/zinc/16/16/87/193161687.db2.gz VZRKIOAGTUNJLS-CHWSQXEVSA-N 1 0 315.483 1.283 10 0 DDAERO CCN([C@@H](C)COC)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115984 193163875 /nfs/dbraw/zinc/16/38/75/193163875.db2.gz VTMDISOSBAALMR-JTQLQIEISA-N 1 0 304.387 1.330 10 0 DDAERO CCO[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH3+])cc2F)C1 ZINC000092115955 193164694 /nfs/dbraw/zinc/16/46/94/193164694.db2.gz PTACZPBIMYFMOJ-GFCCVEGCSA-N 1 0 316.398 1.474 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc(Cl)cc2cccnc21 ZINC000262357781 284002638 /nfs/dbraw/zinc/00/26/38/284002638.db2.gz UWSTWDNCZGDTFL-MFKMUULPSA-N 1 0 305.765 1.198 10 0 DDAERO COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000245458823 284022337 /nfs/dbraw/zinc/02/23/37/284022337.db2.gz KSAUDMXDKCWVFI-ZNMIVQPWSA-N 1 0 308.422 1.663 10 0 DDAERO CC(C)(C[NH2+]CCSc1ccccc1)NS(C)(=O)=O ZINC000092244369 193178710 /nfs/dbraw/zinc/17/87/10/193178710.db2.gz JDPUMZCDILBZAK-UHFFFAOYSA-N 1 0 302.465 1.696 10 0 DDAERO Cc1ccc(CN(C)C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)s1 ZINC000261952310 203159771 /nfs/dbraw/zinc/15/97/71/203159771.db2.gz OODHBJHBPARQLK-CABCVRRESA-N 1 0 318.446 1.752 10 0 DDAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2cccc3[nH]cnc32)cn1 ZINC000262353555 203271093 /nfs/dbraw/zinc/27/10/93/203271093.db2.gz UPXPQTVZAFXFCH-NEPJUHHUSA-N 1 0 310.361 1.238 10 0 DDAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)Cc1ccsc1 ZINC000262445946 203297105 /nfs/dbraw/zinc/29/71/05/203297105.db2.gz UDFLMLJDHJZHMH-UHFFFAOYSA-N 1 0 305.407 1.525 10 0 DDAERO CCC[C@H]([NH3+])C(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1 ZINC000262643556 203363691 /nfs/dbraw/zinc/36/36/91/203363691.db2.gz IJXQHZLMWWQKQY-JTQLQIEISA-N 1 0 315.395 1.133 10 0 DDAERO CN(CCc1cccs1)S(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000093292223 193225432 /nfs/dbraw/zinc/22/54/32/193225432.db2.gz NEXHKHZJRMRBNI-LBPRGKRZSA-N 1 0 302.465 1.694 10 0 DDAERO C[C@@H](Cc1cccs1)N(C)S(=O)(=O)N(C)CCC[NH3+] ZINC000093294583 193226168 /nfs/dbraw/zinc/22/61/68/193226168.db2.gz BECKPXUUPDVRRF-NSHDSACASA-N 1 0 305.469 1.136 10 0 DDAERO CC(C)Cc1nc2c(n1CC(C)(C)S(C)(=O)=O)CC[NH2+]C2 ZINC000093525644 193264053 /nfs/dbraw/zinc/26/40/53/193264053.db2.gz YCBQHCIJFZCQRA-UHFFFAOYSA-N 1 0 313.467 1.551 10 0 DDAERO CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(C)(C)S(C)(=O)=O ZINC000093525398 193264392 /nfs/dbraw/zinc/26/43/92/193264392.db2.gz JTFWDCOWAMPQDX-AGUYFDCRSA-N 1 0 302.484 1.805 10 0 DDAERO CCOC(=O)[C@@]1(NC)CCC[C@H]1CC[N@H+](CC)CCOC ZINC000093591214 193271828 /nfs/dbraw/zinc/27/18/28/193271828.db2.gz IAJLJYHCKFCSEM-GOEBONIOSA-N 1 0 300.443 1.666 10 0 DDAERO CCC[NH2+][C@@H]1CCC[C@H]1CCS(=O)(=O)CC(=O)OCC ZINC000093623673 193275410 /nfs/dbraw/zinc/27/54/10/193275410.db2.gz PDKWRWFETMTSIR-QWHCGFSZSA-N 1 0 305.440 1.523 10 0 DDAERO CS(=O)(=O)c1cccc(OCC[C@H]2CCC[C@@]2(O)C[NH3+])c1 ZINC000093628236 193276723 /nfs/dbraw/zinc/27/67/23/193276723.db2.gz MFTGSVZFDXVNRX-IUODEOHRSA-N 1 0 313.419 1.349 10 0 DDAERO CC[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccn(C)n1 ZINC000093700534 193294053 /nfs/dbraw/zinc/29/40/53/193294053.db2.gz OKJXRMJOHSGMHL-TZMCWYRMSA-N 1 0 314.455 1.132 10 0 DDAERO CC[NH2+][C@@]1(C(N)=O)CCC[C@H](n2cc(C(F)(F)F)cn2)C1 ZINC000093760115 193301166 /nfs/dbraw/zinc/30/11/66/193301166.db2.gz HUIPQNUAVPQMNN-JQWIXIFHSA-N 1 0 304.316 1.851 10 0 DDAERO CCC[NH2+][C@]1(CO)CCC[C@@H](SCCS(C)(=O)=O)C1 ZINC000093785991 193307673 /nfs/dbraw/zinc/30/76/73/193307673.db2.gz AOVPKRRGBQIXRS-CHWSQXEVSA-N 1 0 309.497 1.438 10 0 DDAERO CCN[C@]1(C(=O)OC)CC[C@@H]([N@H+](CCOC)[C@@H](C)CC)C1 ZINC000093827661 193312551 /nfs/dbraw/zinc/31/25/51/193312551.db2.gz VMCHLNIOCFHWCE-SQWLQELKSA-N 1 0 300.443 1.807 10 0 DDAERO NC(=O)[C@]1([NH2+]C2CC2)CC[C@@H](N(CC(F)(F)F)C2CC2)C1 ZINC000093826387 193313675 /nfs/dbraw/zinc/31/36/75/193313675.db2.gz VHTPXRBOTFTABW-YPMHNXCESA-N 1 0 305.344 1.542 10 0 DDAERO CCOC(=O)[C@]1([NH3+])CC[C@@H](Sc2n[nH]c(=O)n2C(C)C)C1 ZINC000093853095 193318372 /nfs/dbraw/zinc/31/83/72/193318372.db2.gz KPFTWKYWSUJFMG-RNCFNFMXSA-N 1 0 314.411 1.058 10 0 DDAERO CN(CC1CC[NH2+]CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000094023785 193339439 /nfs/dbraw/zinc/33/94/39/193339439.db2.gz IKDAWTLXMMIKEE-UHFFFAOYSA-N 1 0 302.827 1.960 10 0 DDAERO C[NH2+][C@H](Cc1nc(C(C)(C)C)cs1)[C@@H]1CN(C)CCN1C ZINC000094257035 193355637 /nfs/dbraw/zinc/35/56/37/193355637.db2.gz GGMBTZGMPLWENA-OLZOCXBDSA-N 1 0 310.511 1.817 10 0 DDAERO CN(CCS(C)(=O)=O)c1ncc(C[NH2+]C(C)(C)C)s1 ZINC000094301103 193358473 /nfs/dbraw/zinc/35/84/73/193358473.db2.gz AUOYEWOZRXZCSA-UHFFFAOYSA-N 1 0 305.469 1.512 10 0 DDAERO NC(=O)c1ccc(C(F)(F)F)nc1N1CCC(C[NH3+])CC1 ZINC000094337351 193361170 /nfs/dbraw/zinc/36/11/70/193361170.db2.gz NITAXHGXMGNPBZ-UHFFFAOYSA-N 1 0 302.300 1.374 10 0 DDAERO CC(C)NS(=O)(=O)c1ccccc1N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000094342437 193362358 /nfs/dbraw/zinc/36/23/58/193362358.db2.gz BAAWMZNVDSUJDT-STQMWFEESA-N 1 0 311.451 1.547 10 0 DDAERO Cc1cc(N)c(C)c(S(=O)(=O)N(C)C[C@H]2CC[N@H+](C)C2)c1 ZINC000094358722 193364061 /nfs/dbraw/zinc/36/40/61/193364061.db2.gz BBFQLCGGTKIWTQ-ZDUSSCGKSA-N 1 0 311.451 1.458 10 0 DDAERO CCC([NH3+])(CC)C(=O)N1CCN(C(=O)c2ccsc2)CC1 ZINC000094244805 193354324 /nfs/dbraw/zinc/35/43/24/193354324.db2.gz KPBVWRGLNNULOX-UHFFFAOYSA-N 1 0 309.435 1.550 10 0 DDAERO Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)cc1N ZINC000094637415 193386774 /nfs/dbraw/zinc/38/67/74/193386774.db2.gz VXDIPRVCOOVUTI-SNVBAGLBSA-N 1 0 317.842 1.461 10 0 DDAERO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1N ZINC000094637414 193386873 /nfs/dbraw/zinc/38/68/73/193386873.db2.gz VXDIPRVCOOVUTI-JTQLQIEISA-N 1 0 317.842 1.461 10 0 DDAERO CC[N@H+](C[C@H](C)C(N)=S)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094636593 193387053 /nfs/dbraw/zinc/38/70/53/193387053.db2.gz WSSJDJFUIVMZEU-TUAOUCFPSA-N 1 0 306.497 1.586 10 0 DDAERO CC(C)(C[NH2+][C@H]1CCO[C@]2(CCSC2)C1)S(C)(=O)=O ZINC000094375079 193366368 /nfs/dbraw/zinc/36/63/68/193366368.db2.gz AJLYBHFDPYLIQH-WCQYABFASA-N 1 0 307.481 1.454 10 0 DDAERO CC(C)[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1[C@@H]1CCCS(=O)(=O)C1 ZINC000094434748 193370373 /nfs/dbraw/zinc/37/03/73/193370373.db2.gz CWKUKOSFGMMPTG-OAGGEKHMSA-N 1 0 314.495 1.758 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(N)cc(F)c1 ZINC000094457241 193371152 /nfs/dbraw/zinc/37/11/52/193371152.db2.gz OLSUQWYZJHBDAB-GXFFZTMASA-N 1 0 313.398 1.265 10 0 DDAERO CC(C)[C@H]1C[N@@H+]2CCC[C@@H]2CN1C1CCS(=O)(=O)CC1 ZINC000094448203 193371700 /nfs/dbraw/zinc/37/17/00/193371700.db2.gz UNZWLIMFFNAIPG-HUUCEWRRSA-N 1 0 300.468 1.368 10 0 DDAERO C[C@@H]1SCCC[C@@H]1[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000094477791 193373036 /nfs/dbraw/zinc/37/30/36/193373036.db2.gz RVARTYAANGIJCU-GWCFXTLKSA-N 1 0 300.449 1.708 10 0 DDAERO [NH3+][C@H](Cc1ccc(Br)s1)[C@H]1CN2CCN1CC2 ZINC000094508223 193375848 /nfs/dbraw/zinc/37/58/48/193375848.db2.gz AGDXBVIPILYDNW-GHMZBOCLSA-N 1 0 316.268 1.380 10 0 DDAERO [NH3+][C@@H](Cc1c(Cl)cccc1Cl)[C@H]1CN2CCN1CC2 ZINC000094508202 193375859 /nfs/dbraw/zinc/37/58/59/193375859.db2.gz MNZCYJVBZMLZFO-UONOGXRCSA-N 1 0 300.233 1.863 10 0 DDAERO C[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1NN)[NH+](C)C ZINC000094596568 193382554 /nfs/dbraw/zinc/38/25/54/193382554.db2.gz DWXRNHKRQPDMDX-MRVPVSSYSA-N 1 0 304.316 1.671 10 0 DDAERO CN(CCOCC1CC1)S(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000094990626 193412045 /nfs/dbraw/zinc/41/20/45/193412045.db2.gz CFLGDQPDGGQUPK-CQSZACIVSA-N 1 0 304.456 1.207 10 0 DDAERO CC[N@H+](C)CCNS(=O)(=O)c1cccc2cc(N)ccc21 ZINC000094787361 193398730 /nfs/dbraw/zinc/39/87/30/193398730.db2.gz QMKYMFPZWVFHMQ-UHFFFAOYSA-N 1 0 307.419 1.652 10 0 DDAERO CN(CC[C@H]1CCCC[NH2+]1)S(=O)(=O)c1cccc(F)c1 ZINC000019843979 182156270 /nfs/dbraw/zinc/15/62/70/182156270.db2.gz QWPDYWPIRVHPTH-CYBMUJFWSA-N 1 0 300.399 1.978 10 0 DDAERO COc1ccc(NS(=O)(=O)[C@H]2CCC[NH2+]C2)cc1OC ZINC000019806956 182152746 /nfs/dbraw/zinc/15/27/46/182152746.db2.gz PURRIHLUHYKWKK-NSHDSACASA-N 1 0 300.380 1.198 10 0 DDAERO Cc1cc(Br)cc(C)c1NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000020434591 182217166 /nfs/dbraw/zinc/21/71/66/182217166.db2.gz KSBVWCBHWWWGOC-QWRGUYRKSA-N 1 0 313.195 1.727 10 0 DDAERO CCNc1ccccc1S(=O)(=O)NCC1([NH+](C)C)CCC1 ZINC000097935834 193768490 /nfs/dbraw/zinc/76/84/90/193768490.db2.gz HTMYMRPDTCYLRX-UHFFFAOYSA-N 1 0 311.451 1.881 10 0 DDAERO C[N@@H+](Cc1ccco1)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000024949391 182396364 /nfs/dbraw/zinc/39/63/64/182396364.db2.gz WGCBWFQJBLTFCE-LBPRGKRZSA-N 1 0 314.341 1.369 10 0 DDAERO [NH3+][C@@H]1CC(=O)N(c2ccc(I)cc2)C1 ZINC000035679794 182785447 /nfs/dbraw/zinc/78/54/47/182785447.db2.gz WINXMZFSTIRKFS-MRVPVSSYSA-N 1 0 302.115 1.355 10 0 DDAERO CCS(=O)(=O)CCOc1ccc(Br)cc1C[NH3+] ZINC000037370206 182883855 /nfs/dbraw/zinc/88/38/55/182883855.db2.gz SARBPDRAYBPUOS-UHFFFAOYSA-N 1 0 322.224 1.721 10 0 DDAERO NC(=O)[C@@H](c1ccccc1Br)N1CCC[NH2+]CC1 ZINC000037943918 182941292 /nfs/dbraw/zinc/94/12/92/182941292.db2.gz CFJJIKAQHNWFPX-GFCCVEGCSA-N 1 0 312.211 1.271 10 0 DDAERO O=C([C@@H]1CCCN1Cc1ccc(Cl)s1)N1CC[NH2+]CC1 ZINC000040508031 183085378 /nfs/dbraw/zinc/08/53/78/183085378.db2.gz ZXNUQRQBFDGCIT-LBPRGKRZSA-N 1 0 313.854 1.798 10 0 DDAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccc(NC(C)=O)c(Cl)c2)C1 ZINC000040633018 183111985 /nfs/dbraw/zinc/11/19/85/183111985.db2.gz WSAXOKGJSPGEBQ-GWCFXTLKSA-N 1 0 311.769 1.614 10 0 DDAERO COc1ccc2nc(NC(=O)[C@@H]3C[C@H](OC)C[NH2+]3)sc2c1 ZINC000040630338 183112039 /nfs/dbraw/zinc/11/20/39/183112039.db2.gz WZBNJTXMLDJEJA-ONGXEEELSA-N 1 0 307.375 1.620 10 0 DDAERO C[C@@H]1C[C@@H](O)CN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000333746969 249091381 /nfs/dbraw/zinc/09/13/81/249091381.db2.gz YLQRCZKEXMFQJF-DMRZNYOFSA-N 1 0 303.406 1.154 10 0 DDAERO Cc1ccc(S(=O)(=O)NCC[NH+]2CCC(C)CC2)c(N)c1 ZINC000040771166 183131741 /nfs/dbraw/zinc/13/17/41/183131741.db2.gz YHGGFVSVUMLONL-UHFFFAOYSA-N 1 0 311.451 1.587 10 0 DDAERO CC[C@@H](C)Cn1c2nn(CC[NH+](CC)CC)nc2c(=O)[nH]c1=O ZINC000040791441 183133894 /nfs/dbraw/zinc/13/38/94/183133894.db2.gz FXVRNMBCZNFKBG-LLVKDONJSA-N 1 0 322.413 1.082 10 0 DDAERO Nc1cc(N)[nH+]c(SCC(=O)Nc2ccc(Cl)c(N)c2)n1 ZINC000041023429 183156891 /nfs/dbraw/zinc/15/68/91/183156891.db2.gz NMPFNCUBXZOPNQ-UHFFFAOYSA-N 1 0 324.797 1.607 10 0 DDAERO [NH3+]CCc1noc(-c2ccc(I)cc2)n1 ZINC000041062063 183161104 /nfs/dbraw/zinc/16/11/04/183161104.db2.gz NKXXHLOXWZDUQR-UHFFFAOYSA-N 1 0 315.114 1.842 10 0 DDAERO OCC[C@H]1CSCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000336711003 249229431 /nfs/dbraw/zinc/22/94/31/249229431.db2.gz LCYJQVQKTJZMFH-HOTGVXAUSA-N 1 0 311.447 1.364 10 0 DDAERO Cn1cc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+]2CCCC2)nn1 ZINC000041511778 183196038 /nfs/dbraw/zinc/19/60/38/183196038.db2.gz PHSBLFUOJCBAML-OAHLLOKOSA-N 1 0 317.368 1.521 10 0 DDAERO COC(=O)[C@H](NCC[NH+](C)C)c1ccc(Br)s1 ZINC000041702576 183218730 /nfs/dbraw/zinc/21/87/30/183218730.db2.gz RQXQGDDZGKILHB-SNVBAGLBSA-N 1 0 321.240 1.876 10 0 DDAERO CCOc1ccc(N)cc1S(=O)(=O)NCCCC[NH+](C)C ZINC000041681821 183216885 /nfs/dbraw/zinc/21/68/85/183216885.db2.gz WWXUXYPSKOPHIB-UHFFFAOYSA-N 1 0 315.439 1.288 10 0 DDAERO C[C@H](O)c1ccc(S(=O)(=O)NCCCC[NH+](C)C)cc1 ZINC000041684795 183216947 /nfs/dbraw/zinc/21/69/47/183216947.db2.gz ASKKJHWVWTVTCU-LBPRGKRZSA-N 1 0 300.424 1.360 10 0 DDAERO CCO[C@H]1CCCN(S(=O)(=O)c2ccc(CC[NH3+])s2)C1 ZINC000042425735 183268716 /nfs/dbraw/zinc/26/87/16/183268716.db2.gz VCCCCIHQYQHVAZ-NSHDSACASA-N 1 0 318.464 1.439 10 0 DDAERO COC[C@@H](O)CN(C)c1nc2sccn2c1C[NH2+]C1CC1 ZINC000042511824 183278571 /nfs/dbraw/zinc/27/85/71/183278571.db2.gz XMYOZWNYVJTRJQ-NSHDSACASA-N 1 0 310.423 1.091 10 0 DDAERO COC(=O)CN(C(C)C)S(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000042718677 183301885 /nfs/dbraw/zinc/30/18/85/183301885.db2.gz DQHKXWKMNZEPHP-NSHDSACASA-N 1 0 314.407 1.278 10 0 DDAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)cc1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000042914722 183318143 /nfs/dbraw/zinc/31/81/43/183318143.db2.gz KGGMZJMNKDFLRN-OAGGEKHMSA-N 1 0 310.463 1.892 10 0 DDAERO CNC(=O)CN(C)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042953066 183321893 /nfs/dbraw/zinc/32/18/93/183321893.db2.gz MLIFPLKHHNOVHT-RNCFNFMXSA-N 1 0 314.227 1.515 10 0 DDAERO COc1ccc([C@H](Sc2nc(N)cc(=O)[nH]2)[C@H](C)[NH3+])cc1 ZINC000042965244 183324103 /nfs/dbraw/zinc/32/41/03/183324103.db2.gz BKCFXJNCSRRNNP-ISVAXAHUSA-N 1 0 306.391 1.541 10 0 DDAERO CC[C@@H]([NH3+])[C@H](c1cccc(F)c1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000042972099 183324183 /nfs/dbraw/zinc/32/41/83/183324183.db2.gz OIZBYZBIBXQZPN-KFWWJZLASA-N 1 0 314.426 1.723 10 0 DDAERO CC(C)[NH2+]CCCS(=O)(=O)N(CC(F)(F)F)C1CC1 ZINC000042782468 183309197 /nfs/dbraw/zinc/30/91/97/183309197.db2.gz AVSYKYUEDIAYBF-UHFFFAOYSA-N 1 0 302.362 1.731 10 0 DDAERO C[NH2+][C@H](c1cnn(-c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300394 183352532 /nfs/dbraw/zinc/35/25/32/183352532.db2.gz HBZVZOJQAXSWLI-WFASDCNBSA-N 1 0 305.403 1.568 10 0 DDAERO CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000043301029 183352642 /nfs/dbraw/zinc/35/26/42/183352642.db2.gz ADUAFKAAIJGMAG-WFASDCNBSA-N 1 0 311.403 1.543 10 0 DDAERO C[NH2+]Cc1cc(Br)c(OCCCO)c(OC)c1 ZINC000043444029 183364479 /nfs/dbraw/zinc/36/44/79/183364479.db2.gz MOPDOEOYSITEKC-UHFFFAOYSA-N 1 0 304.184 1.938 10 0 DDAERO COCCCNC(=O)COc1ccc(C[C@H](C)[NH3+])cc1Cl ZINC000043491611 183366661 /nfs/dbraw/zinc/36/66/61/183366661.db2.gz AQOSGMCFZUEBKT-NSHDSACASA-N 1 0 314.813 1.761 10 0 DDAERO C[C@H]([NH3+])c1cccc(NC(=O)N[C@]2(C)CCS(=O)(=O)C2)c1 ZINC000044883265 183446510 /nfs/dbraw/zinc/44/65/10/183446510.db2.gz QPJRGGPYVKZJRJ-IINYFYTJSA-N 1 0 311.407 1.405 10 0 DDAERO CCOC(=O)[C@](C)([NH3+])CCCn1cc(Br)cn1 ZINC000045437144 183507649 /nfs/dbraw/zinc/50/76/49/183507649.db2.gz FWOHRKYFLCQSLP-LLVKDONJSA-N 1 0 304.188 1.706 10 0 DDAERO CC[C@@H]1CN([C@@H](C)C(=O)NC(C)(C)CC)CC[N@@H+]1CCOC ZINC000105836749 194141801 /nfs/dbraw/zinc/14/18/01/194141801.db2.gz AOVSUXRPEUPWQW-LSDHHAIUSA-N 1 0 313.486 1.722 10 0 DDAERO CC[C@@H]1CN(Cc2noc(C(C)(C)C)n2)CC[N@@H+]1CCOC ZINC000105836955 194143775 /nfs/dbraw/zinc/14/37/75/194143775.db2.gz ZHIRPRMQFLRSDR-CYBMUJFWSA-N 1 0 310.442 1.910 10 0 DDAERO CC(C)[N@@H+]1CCO[C@H](CN2CCN(Cc3cccnc3)CC2)C1 ZINC000105845914 194145801 /nfs/dbraw/zinc/14/58/01/194145801.db2.gz CCHPNONCOWSWMN-GOSISDBHSA-N 1 0 318.465 1.308 10 0 DDAERO CC(C)CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000105874097 194152869 /nfs/dbraw/zinc/15/28/69/194152869.db2.gz AGRSWVXWQHHXKL-ZIAGYGMSSA-N 1 0 321.469 1.857 10 0 DDAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCc2nc(CC)nn2C1 ZINC000105873275 194153232 /nfs/dbraw/zinc/15/32/32/194153232.db2.gz RBRMMEZEWUDTAO-RWMBFGLXSA-N 1 0 307.442 1.438 10 0 DDAERO CC[C@@H]1CN(CCC(=O)Nc2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000105902684 194165844 /nfs/dbraw/zinc/16/58/44/194165844.db2.gz PMZSGKFLYLAVRG-NVXWUHKLSA-N 1 0 319.449 1.792 10 0 DDAERO Cc1cccc(NC(=O)[C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)c1C ZINC000105932653 194173530 /nfs/dbraw/zinc/17/35/30/194173530.db2.gz REYZIVIBOKVZPV-LSDHHAIUSA-N 1 0 305.422 1.551 10 0 DDAERO COc1ncccc1CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106430197 194212422 /nfs/dbraw/zinc/21/24/22/194212422.db2.gz XHACDMUIUVOXPQ-INIZCTEOSA-N 1 0 313.401 1.879 10 0 DDAERO Cc1ccc([C@@H](C)NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)o1 ZINC000106520377 194223540 /nfs/dbraw/zinc/22/35/40/194223540.db2.gz AKXNUMVYKFBKRB-TZMCWYRMSA-N 1 0 308.426 1.584 10 0 DDAERO C[C@H]([NH3+])c1ccc(S(=O)(=O)N(C)Cc2cnn(C)c2)cc1 ZINC000048987107 183700856 /nfs/dbraw/zinc/70/08/56/183700856.db2.gz LWCBKAUODWAWJP-NSHDSACASA-N 1 0 308.407 1.261 10 0 DDAERO CN(CCC[NH3+])S(=O)(=O)Nc1cccc(C(F)(F)F)c1 ZINC000049061268 183707563 /nfs/dbraw/zinc/70/75/63/183707563.db2.gz WCBVCXOEKFHATA-UHFFFAOYSA-N 1 0 311.329 1.643 10 0 DDAERO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1ccc(N)cc1Cl ZINC000049554748 183741024 /nfs/dbraw/zinc/74/10/24/183741024.db2.gz HLQDSWHPGLPBIO-SECBINFHSA-N 1 0 305.831 1.541 10 0 DDAERO O=S(=O)(C[C@@H]1CCC[NH2+]C1)Nc1ccc2c(c1)OCCO2 ZINC000049641305 183750654 /nfs/dbraw/zinc/75/06/54/183750654.db2.gz VMVOHZQOUTVLGT-LLVKDONJSA-N 1 0 312.391 1.199 10 0 DDAERO Cc1cc(N2CC[NH+]([C@H](C)C(N)=S)CC2)nc(C(C)C)n1 ZINC000109471175 194267311 /nfs/dbraw/zinc/26/73/11/194267311.db2.gz YFVHGHXRTSYAFN-GFCCVEGCSA-N 1 0 307.467 1.705 10 0 DDAERO CN(c1ccc(C[NH2+]C(C)(C)C)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000051447678 183827756 /nfs/dbraw/zinc/82/77/56/183827756.db2.gz YQDIHSQTJXYEHR-CYBMUJFWSA-N 1 0 311.451 1.593 10 0 DDAERO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C[C@@H](C)O)cc1 ZINC000051840006 183838589 /nfs/dbraw/zinc/83/85/89/183838589.db2.gz DRAUHYORZKSJTR-NEPJUHHUSA-N 1 0 300.424 1.358 10 0 DDAERO Cc1ccc(NC(=O)NC2CC[NH+](CC(N)=S)CC2)cc1 ZINC000110826128 194361796 /nfs/dbraw/zinc/36/17/96/194361796.db2.gz LDWRPWAOBFRAPM-UHFFFAOYSA-N 1 0 306.435 1.867 10 0 DDAERO CN(C(=O)c1cc(Br)cn1C)[C@@H]1CCC[NH2+]C1 ZINC000110927255 194369668 /nfs/dbraw/zinc/36/96/68/194369668.db2.gz JBZQIVUOSHRQQO-SNVBAGLBSA-N 1 0 300.200 1.612 10 0 DDAERO CN(c1ccccc1S(=O)(=O)C(F)F)[C@@H]1CCC[NH2+]C1 ZINC000110932880 194371347 /nfs/dbraw/zinc/37/13/47/194371347.db2.gz WQTLPIKVDYOIQE-SNVBAGLBSA-N 1 0 304.362 1.871 10 0 DDAERO CCNS(=O)(=O)c1ccccc1N(CC)[C@@H]1CCC[NH2+]C1 ZINC000110947675 194373107 /nfs/dbraw/zinc/37/31/07/194373107.db2.gz YNYZMGQXJWSQJR-CYBMUJFWSA-N 1 0 311.451 1.563 10 0 DDAERO CCS(=O)(=O)CC[C@@]1(C[NH2+]CCOC)C[C@H]2CC[C@@H]1C2 ZINC000054639331 183947120 /nfs/dbraw/zinc/94/71/20/183947120.db2.gz KEJLFAZLUPACHU-ZNMIVQPWSA-N 1 0 303.468 1.854 10 0 DDAERO O=C1CC[C@@H]([NH2+]C[C@H](O)c2cc(Cl)ccc2Cl)CN1 ZINC000111019787 194384170 /nfs/dbraw/zinc/38/41/70/194384170.db2.gz JKIITTAXZSZZLK-SKDRFNHKSA-N 1 0 303.189 1.895 10 0 DDAERO CCOc1ccc(N)cc1S(=O)(=O)N(C)CCC[NH+](C)C ZINC000111141392 194393901 /nfs/dbraw/zinc/39/39/01/194393901.db2.gz RNVJXIYGVOYSGC-UHFFFAOYSA-N 1 0 315.439 1.240 10 0 DDAERO CCCNc1cc(S(=O)(=O)N(C)CCC[NH+](C)C)ccn1 ZINC000111151213 194397041 /nfs/dbraw/zinc/39/70/41/194397041.db2.gz LZMIFKVJDVCXNK-UHFFFAOYSA-N 1 0 314.455 1.476 10 0 DDAERO O=S1(=O)CC[C@@H]([NH2+]Cc2ccc(O)c(Br)c2)C1 ZINC000058055306 184072368 /nfs/dbraw/zinc/07/23/68/184072368.db2.gz JUOLXRIUFQMWFT-SECBINFHSA-N 1 0 320.208 1.431 10 0 DDAERO CCNS(=O)(=O)c1ccccc1NC(=O)C(C)(C)[NH2+]CC ZINC000061291877 184167717 /nfs/dbraw/zinc/16/77/17/184167717.db2.gz SDDOFQVBKUOWDG-UHFFFAOYSA-N 1 0 313.423 1.311 10 0 DDAERO CC[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C)c1ccccc1OC ZINC000061592556 184175543 /nfs/dbraw/zinc/17/55/43/184175543.db2.gz XHTMSBIHBAWJEK-ZYHUDNBSSA-N 1 0 308.407 1.688 10 0 DDAERO NC(=[NH2+])c1ccc(CSc2n[nH]c(=O)n2C2CC2)c(F)c1 ZINC000061595700 184176468 /nfs/dbraw/zinc/17/64/68/184176468.db2.gz SYOYYCSJQPTBLA-UHFFFAOYSA-N 1 0 307.354 1.622 10 0 DDAERO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1N ZINC000061642641 184180325 /nfs/dbraw/zinc/18/03/25/184180325.db2.gz WPHCRSTUBAYTCQ-NSHDSACASA-N 1 0 317.842 1.637 10 0 DDAERO C[NH+](C)CCN1CCN(C(=O)c2cc(Cl)ccc2N)CC1 ZINC000061641955 184180482 /nfs/dbraw/zinc/18/04/82/184180482.db2.gz FRXNYKRIYMLTBG-UHFFFAOYSA-N 1 0 310.829 1.242 10 0 DDAERO CCOC(=O)[C@](C)(CCC[N@H+](C)CCCOC)NC1CC1 ZINC000062034768 184202683 /nfs/dbraw/zinc/20/26/83/184202683.db2.gz PNSSXXJKNDHOMV-INIZCTEOSA-N 1 0 300.443 1.809 10 0 DDAERO CC(C)C1CCC(C[NH3+])(N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000062082272 184204954 /nfs/dbraw/zinc/20/49/54/184204954.db2.gz VTMKWBOARMJJHC-UHFFFAOYSA-N 1 0 317.499 1.107 10 0 DDAERO CNc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)cn1 ZINC000062084384 184205087 /nfs/dbraw/zinc/20/50/87/184205087.db2.gz MPBHZCQORGVGLT-LBPRGKRZSA-N 1 0 312.439 1.134 10 0 DDAERO C[C@@H](C(=O)N1CCN(C(=O)CC[NH+](C)C)CC1)C1CCCC1 ZINC000062138409 184208357 /nfs/dbraw/zinc/20/83/57/184208357.db2.gz ZQUYAWOTPHOGKP-CQSZACIVSA-N 1 0 309.454 1.435 10 0 DDAERO CCC[NH2+][C@H](CCn1nc(C)c(Br)c1C)C(N)=O ZINC000062538377 184241795 /nfs/dbraw/zinc/24/17/95/184241795.db2.gz QEKIULLRWBERLE-SNVBAGLBSA-N 1 0 317.231 1.506 10 0 DDAERO CC(C)(C)[NH2+]Cc1ccccc1O[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000062729266 184250941 /nfs/dbraw/zinc/25/09/41/184250941.db2.gz KMZYZDVEFSZPAB-GXTWGEPZSA-N 1 0 313.419 1.111 10 0 DDAERO C[C@@H]1CN[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)C[NH2+]1 ZINC000062813814 184254143 /nfs/dbraw/zinc/25/41/43/184254143.db2.gz SJCMULLUSKNNNS-SKDRFNHKSA-N 1 0 301.312 1.272 10 0 DDAERO NS(=O)(=O)c1ccccc1N1CC[NH2+]Cc2ccccc21 ZINC000062819158 184254386 /nfs/dbraw/zinc/25/43/86/184254386.db2.gz OPHUBWBXYGHACN-UHFFFAOYSA-N 1 0 303.387 1.575 10 0 DDAERO CCC1(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[NH2+]CC1 ZINC000062847681 184256716 /nfs/dbraw/zinc/25/67/16/184256716.db2.gz VPSHANIOJXDIDG-UHFFFAOYSA-N 1 0 311.407 1.052 10 0 DDAERO CCC[C@@]1(C(=O)N(CCOC)[C@H]2CCSC2)CC[NH2+]C1 ZINC000062895370 184258911 /nfs/dbraw/zinc/25/89/11/184258911.db2.gz CFXVLFXGAYUEET-DZGCQCFKSA-N 1 0 300.468 1.747 10 0 DDAERO CC[C@H]([NH3+])Cc1ccc(OC)cc1OCCCS(C)(=O)=O ZINC000063017578 184267297 /nfs/dbraw/zinc/26/72/97/184267297.db2.gz GJVMASSDJJCWSC-ZDUSSCGKSA-N 1 0 315.435 1.789 10 0 DDAERO Cn1ncc2c1nc(CSc1nc(N)cc(N)[nH+]1)nc2Cl ZINC000063079098 184269772 /nfs/dbraw/zinc/26/97/72/184269772.db2.gz NVMRKLJKDOWEQM-UHFFFAOYSA-N 1 0 322.785 1.263 10 0 DDAERO CS(=O)(=O)c1ccc([S@@](=O)C2CCC([NH3+])CC2)cc1 ZINC000063131558 184272175 /nfs/dbraw/zinc/27/21/75/184272175.db2.gz XQDZXTJSGUUUNE-IZMYHAASSA-N 1 0 301.433 1.468 10 0 DDAERO CC(C)[NH2+][C@H](CSc1ccc(S(C)(=O)=O)cc1)C(N)=O ZINC000063131890 184272370 /nfs/dbraw/zinc/27/23/70/184272370.db2.gz DYFRAWLEBZAJSS-GFCCVEGCSA-N 1 0 316.448 1.034 10 0 DDAERO Cc1ccc(N(CCC[NH3+])S(=O)(=O)C[C@H]2CCCO2)cc1 ZINC000063154833 184274416 /nfs/dbraw/zinc/27/44/16/184274416.db2.gz GIUXOADSHQWAKP-OAHLLOKOSA-N 1 0 312.435 1.659 10 0 DDAERO C[NH2+]C[C@@H]1CCCCN1Cc1csc(CC(=O)N(C)C)n1 ZINC000063168452 184275768 /nfs/dbraw/zinc/27/57/68/184275768.db2.gz BRJFTZLECKYFSL-ZDUSSCGKSA-N 1 0 310.467 1.348 10 0 DDAERO CC[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N1CCCCCC1 ZINC000113668596 194609572 /nfs/dbraw/zinc/60/95/72/194609572.db2.gz HDLHXRPJJSPBEM-AWEZNQCLSA-N 1 0 303.472 1.571 10 0 DDAERO COCCN1CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C[C@H]1C ZINC000117425156 285046950 /nfs/dbraw/zinc/04/69/50/285046950.db2.gz ZTTKHTZUZSEDLS-QXSJWSMHSA-N 1 0 311.470 1.427 10 0 DDAERO CC(C)[N@H+]1C[C@H](NC(=O)NCc2cccc(C(N)=O)c2)[C@@H](C)C1 ZINC000157098131 197161936 /nfs/dbraw/zinc/16/19/36/197161936.db2.gz LKBYMLMAOPCPST-WFASDCNBSA-N 1 0 318.421 1.313 10 0 DDAERO CNC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000156061880 197084310 /nfs/dbraw/zinc/08/43/10/197084310.db2.gz ZRWZKFFIHPNWFW-HNNXBMFYSA-N 1 0 318.421 1.168 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000245424351 285236028 /nfs/dbraw/zinc/23/60/28/285236028.db2.gz RZVFWVZPRGZEKI-KBUPBQIOSA-N 1 0 309.454 1.926 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(Cc2c(Cl)nc3ccccn32)C[C@H]1C ZINC000120581004 195194465 /nfs/dbraw/zinc/19/44/65/195194465.db2.gz LRFACUFXNHUZQL-CHWSQXEVSA-N 1 0 322.840 1.875 10 0 DDAERO C[NH2+]CCN(C)C(=O)[C@H](NC(=O)c1ccc(F)cc1)C(C)C ZINC000120560469 195190235 /nfs/dbraw/zinc/19/02/35/195190235.db2.gz VAXMWRAVVPECHM-CQSZACIVSA-N 1 0 309.385 1.258 10 0 DDAERO Cc1cc(CN2C[C@@H]3OC[C@@H](C[NH+]4CCCC4)[C@@H]3C2)n(C)n1 ZINC000248007141 257111361 /nfs/dbraw/zinc/11/13/61/257111361.db2.gz CJYMHFNECKSPEJ-PVAVHDDUSA-N 1 0 304.438 1.271 10 0 DDAERO CC(=O)N1CCO[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]2C1 ZINC000247956593 257112680 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COCc1cc(N2CCC(C[NH3+])CC2)nc(-c2ccncc2)n1 ZINC000070456125 406817424 /nfs/dbraw/zinc/81/74/24/406817424.db2.gz AVALJCVYAMUOMC-UHFFFAOYSA-N 1 0 313.405 1.860 10 0 DDAERO COC(=O)c1sc(N(C)C[C@@H]2CC[N@H+](C)C2)nc1Cl ZINC000071192657 406833978 /nfs/dbraw/zinc/83/39/78/406833978.db2.gz LHULEGKGSKDSTF-MRVPVSSYSA-N 1 0 303.815 1.971 10 0 DDAERO CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000074099488 406901873 /nfs/dbraw/zinc/90/18/73/406901873.db2.gz XCUDAGRILLWBLZ-ZFWWWQNUSA-N 1 0 324.469 1.512 10 0 DDAERO CCOC(=O)CC[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000076007602 406949878 /nfs/dbraw/zinc/94/98/78/406949878.db2.gz IKXRPEYFEVQHIC-LBPRGKRZSA-N 1 0 300.399 1.929 10 0 DDAERO C[N@H+](CCNC(=O)NC[C@@H]1CCCC[C@@H]1O)Cc1ccccc1 ZINC000077787121 407009437 /nfs/dbraw/zinc/00/94/37/407009437.db2.gz VMCMGIZRXAOZEC-IRXDYDNUSA-N 1 0 319.449 1.969 10 0 DDAERO O=C(Nc1ccc(OCC(F)(F)F)nc1)[C@H]1CCC[NH2+]C1 ZINC000037012518 406985073 /nfs/dbraw/zinc/98/50/73/406985073.db2.gz ZLXOGOKTYVOXJK-VIFPVBQESA-N 1 0 303.284 1.961 10 0 DDAERO C[NH+]1CCC(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000077612482 406998024 /nfs/dbraw/zinc/99/80/24/406998024.db2.gz GIMATXMZGBBNPO-GFCCVEGCSA-N 1 0 311.426 1.454 10 0 DDAERO O=C(NCCc1cccs1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000049172982 407116951 /nfs/dbraw/zinc/11/69/51/407116951.db2.gz DQWYFGLUGXYGIL-ZDUSSCGKSA-N 1 0 311.451 1.437 10 0 DDAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC(=O)Nc1cccnc1 ZINC000102039712 407319034 /nfs/dbraw/zinc/31/90/34/407319034.db2.gz SRQNOFYDYZMWQX-AWEZNQCLSA-N 1 0 321.425 1.296 10 0 DDAERO CC[C@](C)(O)C[NH+]1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000123566223 407333111 /nfs/dbraw/zinc/33/31/11/407333111.db2.gz FTMICFPOMQXPGJ-WMZOPIPTSA-N 1 0 322.449 1.205 10 0 DDAERO CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CC3CCCC3)CC2)C1 ZINC000105845972 407355198 /nfs/dbraw/zinc/35/51/98/407355198.db2.gz VEMGQBLSZIWTPO-GOSISDBHSA-N 1 0 309.498 1.903 10 0 DDAERO CCC[C@H](C)NC(=O)[C@H](C)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000105836745 407355664 /nfs/dbraw/zinc/35/56/64/407355664.db2.gz WKBXFQIKSVOPHM-HRCADAONSA-N 1 0 313.486 1.722 10 0 DDAERO Cc1cccc(OC[C@]2(C[NH2+]CC3CC3)C[C@@H](O)[C@@H](O)C2)n1 ZINC000107283841 407371672 /nfs/dbraw/zinc/37/16/72/407371672.db2.gz OCERLMRRZVWRSB-SCAQPMJSSA-N 1 0 306.406 1.270 10 0 DDAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CC(=O)NCC3CCC3)C2)n1 ZINC000108867822 407391505 /nfs/dbraw/zinc/39/15/05/407391505.db2.gz JNDOMTUBAXTNSV-INIZCTEOSA-N 1 0 319.453 1.523 10 0 DDAERO CC[NH+](CC)CCNC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000111790104 407416516 /nfs/dbraw/zinc/41/65/16/407416516.db2.gz HXSPDVKQGRYDIE-LBPRGKRZSA-N 1 0 312.439 1.568 10 0 DDAERO CCc1ccc([C@H](C)[NH2+]CC(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000126568645 407416532 /nfs/dbraw/zinc/41/65/32/407416532.db2.gz IIHFBITVUPHKAQ-AWEZNQCLSA-N 1 0 317.433 1.590 10 0 DDAERO CC[C@H]1CN(c2ccc3nccnc3n2)CC[N@@H+]1CCOC ZINC000112080419 407421364 /nfs/dbraw/zinc/42/13/64/407421364.db2.gz NTUMWSNDGJRVRH-ZDUSSCGKSA-N 1 0 301.394 1.572 10 0 DDAERO COC(=O)N[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C(C)C ZINC000128124874 407501552 /nfs/dbraw/zinc/50/15/52/407501552.db2.gz FJTLZGZACFYTDM-ZIAGYGMSSA-N 1 0 311.426 1.311 10 0 DDAERO CNC(=O)[C@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)C(C)C ZINC000178411159 407446733 /nfs/dbraw/zinc/44/67/33/407446733.db2.gz NKBQXUZDYVJSLU-OAHLLOKOSA-N 1 0 320.437 1.188 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc(C(=O)OC)c(OC)n1 ZINC000186124771 407584152 /nfs/dbraw/zinc/58/41/52/407584152.db2.gz UOSVGHVRCJVYBB-GFCCVEGCSA-N 1 0 307.394 1.797 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000170830578 407522329 /nfs/dbraw/zinc/52/23/29/407522329.db2.gz UUVVUXMAGAOMML-DOTOQJQBSA-N 1 0 316.449 1.858 10 0 DDAERO CCC[C@@H](C(=O)NCc1ccc(Cn2cncn2)cc1)[NH+](C)C ZINC000178643543 407526100 /nfs/dbraw/zinc/52/61/00/407526100.db2.gz PPTIEMMSOOBLKN-INIZCTEOSA-N 1 0 315.421 1.673 10 0 DDAERO CCC[C@H](C(=O)NCCOc1ccc2c(c1)OCO2)[NH+](C)C ZINC000178649299 407528460 /nfs/dbraw/zinc/52/84/60/407528460.db2.gz SUCLZLJSCGCHSP-CYBMUJFWSA-N 1 0 308.378 1.641 10 0 DDAERO CC(=O)N1CCc2cc(C(=O)N3CC[C@@H]([NH+](C)C)C3)ccc21 ZINC000170857574 407530998 /nfs/dbraw/zinc/53/09/98/407530998.db2.gz JZAHGIRZJDJTAQ-OAHLLOKOSA-N 1 0 301.390 1.372 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@]1(CCO)CCOC1 ZINC000128442743 407535522 /nfs/dbraw/zinc/53/55/22/407535522.db2.gz LWPHRGGJPNXTFX-ZBFHGGJFSA-N 1 0 315.458 1.051 10 0 DDAERO COC[C@@H]([NH3+])C(=O)NCc1ccc(OCc2ccccc2)cc1 ZINC000261547334 407541334 /nfs/dbraw/zinc/54/13/34/407541334.db2.gz MCZNFFGUWIUYRC-QGZVFWFLSA-N 1 0 314.385 1.856 10 0 DDAERO C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)C[C@H]1[NH3+] ZINC000261550839 407542341 /nfs/dbraw/zinc/54/23/41/407542341.db2.gz RDOUZCAOTQKFBO-IONNQARKSA-N 1 0 309.218 1.961 10 0 DDAERO COc1ccc(S(=O)(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1Cl ZINC000261568978 407544927 /nfs/dbraw/zinc/54/49/27/407544927.db2.gz LIIUXGGYPDYUJB-GZMMTYOYSA-N 1 0 304.799 1.316 10 0 DDAERO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)C1 ZINC000261837560 407634824 /nfs/dbraw/zinc/63/48/24/407634824.db2.gz ABHSUSQLLQKYMZ-ZHCJQAHYSA-N 1 0 323.481 1.380 10 0 DDAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC000227657892 407635227 /nfs/dbraw/zinc/63/52/27/407635227.db2.gz PBHBDMCUGXXWML-LBPRGKRZSA-N 1 0 311.426 1.502 10 0 DDAERO [NH3+]C[C@@H]1CN(S(=O)(=O)C[C@H]2CCCO2)C[C@H]1c1ccccc1 ZINC000261837679 407635937 /nfs/dbraw/zinc/63/59/37/407635937.db2.gz ZLVJJUVSLHPJDB-OAGGEKHMSA-N 1 0 324.446 1.170 10 0 DDAERO c1csc(Cc2noc(-c3ncn([C@H]4CCC[NH2+]C4)n3)n2)c1 ZINC000261880670 407653201 /nfs/dbraw/zinc/65/32/01/407653201.db2.gz WGCXSRZRNQJIIN-JTQLQIEISA-N 1 0 316.390 1.905 10 0 DDAERO COC(=O)C[C@@H]1CCCN1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000178961816 407673894 /nfs/dbraw/zinc/67/38/94/407673894.db2.gz ZOOIBIGWHHWAAZ-KGLIPLIRSA-N 1 0 313.442 1.700 10 0 DDAERO [NH3+]C1(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)CCOCC1 ZINC000261933212 407678213 /nfs/dbraw/zinc/67/82/13/407678213.db2.gz WNCSJCAVPLDEGO-AWEZNQCLSA-N 1 0 324.808 1.748 10 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ZINC000261808388 698439033 /nfs/dbraw/zinc/43/90/33/698439033.db2.gz SJTYPEGIOUJWHQ-NSHDSACASA-N 1 0 310.423 1.503 10 0 DDAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(C)c(Br)c1 ZINC000261855702 698441237 /nfs/dbraw/zinc/44/12/37/698441237.db2.gz XVYDURRVNWEDMV-VIFPVBQESA-N 1 0 321.240 1.644 10 0 DDAERO C[NH2+][C@H](C)CNC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C ZINC000261861689 698441658 /nfs/dbraw/zinc/44/16/58/698441658.db2.gz YPBNMUASCWGKJC-NOZJJQNGSA-N 1 0 301.793 1.806 10 0 DDAERO CCn1nc(C)c([C@H](C)[NH2+]CCS(=O)(=O)C(C)C)c1C ZINC000313510152 698683096 /nfs/dbraw/zinc/68/30/96/698683096.db2.gz LWIKJXNXMCGXGP-NSHDSACASA-N 1 0 301.456 1.994 10 0 DDAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cc(Br)cnc1F ZINC000700845597 699223207 /nfs/dbraw/zinc/22/32/07/699223207.db2.gz NRCUMWHLADUOAO-XCBNKYQSSA-N 1 0 316.174 1.840 10 0 DDAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)[C@H](C)O1 ZINC000702821159 699233097 /nfs/dbraw/zinc/23/30/97/699233097.db2.gz WZSIVKANIXBHMV-BJJPWKGXSA-N 1 0 314.426 1.370 10 0 DDAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCOC[C@H]2O)CN1C(=O)OC(C)(C)C ZINC000706738958 699244353 /nfs/dbraw/zinc/24/43/53/699244353.db2.gz PQQVSXYEPOVVPS-ZOBORPQBSA-N 1 0 314.426 1.514 10 0 DDAERO C[C@H](NC(=O)c1cc(Br)cn1C)C1CC[NH2+]CC1 ZINC000716586613 699283070 /nfs/dbraw/zinc/28/30/70/699283070.db2.gz ULICIKGBWRDCNY-VIFPVBQESA-N 1 0 314.227 1.906 10 0 DDAERO O=C(NCc1ncc(Cl)s1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000720702631 699308331 /nfs/dbraw/zinc/30/83/31/699308331.db2.gz UDHLPQNZGAXAQM-PHDIDXHHSA-N 1 0 313.732 1.811 10 0 DDAERO Cc1nnc(N2C[C@@H](F)C[C@H]2C[NH2+]Cc2c(C)n[nH]c2C)o1 ZINC000886026703 708683881 /nfs/dbraw/zinc/68/38/81/708683881.db2.gz LFHGZBSPUVZFOG-RYUDHWBXSA-N 1 0 308.361 1.425 10 0 DDAERO COC1CCC([NH2+]C[C@@H]2C[C@H](F)CN2Cc2ncccn2)CC1 ZINC000886048193 708688639 /nfs/dbraw/zinc/68/86/39/708688639.db2.gz UGVAUZQOALXYGB-UIDBIOKJSA-N 1 0 322.428 1.936 10 0 DDAERO CCn1nccc1C[NH2+][C@H]1CC[C@H](C(F)(F)F)N(C(C)=O)C1 ZINC000886059610 708690270 /nfs/dbraw/zinc/69/02/70/708690270.db2.gz BZEHNTKQIIOTTF-WCQYABFASA-N 1 0 318.343 1.934 10 0 DDAERO CO[C@@H]1CCN([C@H]2CCC[C@H]2[NH2+]CC(=O)N2CCCCCC2)C1 ZINC000886082609 708694901 /nfs/dbraw/zinc/69/49/01/708694901.db2.gz WXZRHDBKJVBKNE-ZACQAIPSSA-N 1 0 323.481 1.620 10 0 DDAERO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)C(=O)c2ccc(C)nn2)C1 ZINC000886094233 708697324 /nfs/dbraw/zinc/69/73/24/708697324.db2.gz VZIBKPQYYYXIFH-BMFZPTHFSA-N 1 0 318.421 1.499 10 0 DDAERO CCn1cc([C@H]2OCC[C@@H]2C[NH2+]CCn2ccnc2C)cn1 ZINC000888076655 709209186 /nfs/dbraw/zinc/20/91/86/709209186.db2.gz BWCCBAZEBDFCQT-ZBFHGGJFSA-N 1 0 303.410 1.775 10 0 DDAERO Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)C2)n1 ZINC000900604196 709673460 /nfs/dbraw/zinc/67/34/60/709673460.db2.gz RFTSDFSGABBRHE-INMHGKMJSA-N 1 0 320.437 1.119 10 0 DDAERO Cc1csc(N2CCN(c3nc(N)cc(C)[nH+]3)C[C@H]2C)n1 ZINC000892352930 710421835 /nfs/dbraw/zinc/42/18/35/710421835.db2.gz QSWGREVNXHMEQD-LLVKDONJSA-N 1 0 304.423 1.847 10 0 DDAERO O=C(c1cccc2nc(CO)[nH]c21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000906437166 712323804 /nfs/dbraw/zinc/32/38/04/712323804.db2.gz OQSOYXHSTCKTGJ-GFCCVEGCSA-N 1 0 314.389 1.366 10 0 DDAERO C[C@@H]1CC(CNC(=O)c2ccnn2CC[NH+](C)C)C[C@@H](C)O1 ZINC000907972305 712658197 /nfs/dbraw/zinc/65/81/97/712658197.db2.gz BHVZIHIUPYDDMD-CHWSQXEVSA-N 1 0 308.426 1.378 10 0 DDAERO C[C@@H]1CCCN(C(=O)CN2CC[C@H](n3cc(C4CC4)nn3)C2)C1 ZINC000931115184 714005133 /nfs/dbraw/zinc/00/51/33/714005133.db2.gz QKUIKUMEHAZUCT-HIFRSBDPSA-N 1 0 317.437 1.661 10 0 DDAERO Cn1cc([C@@]2(C)CN(C(=O)CC[NH2+]C(C)(C)C)CCO2)cn1 ZINC000934744037 714893214 /nfs/dbraw/zinc/89/32/14/714893214.db2.gz QTHFXCCAMHUQSG-MRXNPFEDSA-N 1 0 308.426 1.272 10 0 DDAERO Cc1cc2ccccc2n(CCC(=O)NCC[NH+](C)C)c1=O ZINC000074646323 185005577 /nfs/dbraw/zinc/00/55/77/185005577.db2.gz DOCICGMUSNESLG-UHFFFAOYSA-N 1 0 301.390 1.378 10 0 DDAERO CCn1c(=O)[nH]nc1S[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C ZINC000081879901 192333743 /nfs/dbraw/zinc/33/37/43/192333743.db2.gz VJJKWMHQTJFPMI-OLZOCXBDSA-N 1 0 304.419 1.959 10 0 DDAERO CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1Sc1n[nH]c(=O)n1C ZINC000081880649 192334392 /nfs/dbraw/zinc/33/43/92/192334392.db2.gz BNDYRSKTGOQMLC-QWHCGFSZSA-N 1 0 304.419 1.866 10 0 DDAERO COC(=O)c1ccc(Cl)c(NC(=O)CSCC[NH3+])c1 ZINC000096751689 185386072 /nfs/dbraw/zinc/38/60/72/185386072.db2.gz NGURMBIWDRPMGP-UHFFFAOYSA-N 1 0 302.783 1.757 10 0 DDAERO CCC[NH2+][C@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(OC)cc1 ZINC000081923254 192340060 /nfs/dbraw/zinc/34/00/60/192340060.db2.gz AGGSQVOPLVASGA-GJZGRUSLSA-N 1 0 313.419 1.626 10 0 DDAERO CN(Cc1cccc(OC(F)(F)F)c1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000163089795 197610615 /nfs/dbraw/zinc/61/06/15/197610615.db2.gz JFRMWQHSEZJHKM-PWSUYJOCSA-N 1 0 318.295 1.266 10 0 DDAERO CCOC(=O)[C@H]1CSCCN1C(=O)CC[C@H](C)CC[NH3+] ZINC000079118301 185159242 /nfs/dbraw/zinc/15/92/42/185159242.db2.gz FRTDRJPKOHKPBO-NWDGAFQWSA-N 1 0 302.440 1.259 10 0 DDAERO CS(=O)(=O)C[C@@H](O)[C@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000087376515 185223081 /nfs/dbraw/zinc/22/30/81/185223081.db2.gz FNPHLMLJKPFCFG-LDYMZIIASA-N 1 0 312.218 1.441 10 0 DDAERO CCOc1ccc([C@H](C[NH3+])[C@@H](O)C(C)(C)S(C)(=O)=O)cc1 ZINC000087378479 185223182 /nfs/dbraw/zinc/22/31/82/185223182.db2.gz FJPKEMLYMAMCEX-UONOGXRCSA-N 1 0 315.435 1.312 10 0 DDAERO [NH3+][C@H](c1sccc1Br)[C@H]1CN2CCN1CC2 ZINC000087570650 185228348 /nfs/dbraw/zinc/22/83/48/185228348.db2.gz AMHDPQZLIRNVRF-ZJUUUORDSA-N 1 0 302.241 1.510 10 0 DDAERO COc1ccc(Br)c(C[NH2+]C[C@H]2CCC(=O)N2)c1 ZINC000087788383 185231698 /nfs/dbraw/zinc/23/16/98/185231698.db2.gz CKCUBYNAJGQWIU-SNVBAGLBSA-N 1 0 313.195 1.826 10 0 DDAERO COC[C@H](Nc1nc(NN)[nH+]cc1Br)C(C)C ZINC000087883348 185234464 /nfs/dbraw/zinc/23/44/64/185234464.db2.gz DLWAEYURKOKYNT-QMMMGPOBSA-N 1 0 304.192 1.608 10 0 DDAERO CN1CCC[C@H](Nc2nc(NN)[nH+]cc2Br)C1 ZINC000087863855 185233849 /nfs/dbraw/zinc/23/38/49/185233849.db2.gz URHXLWHGAQUAEE-ZETCQYMHSA-N 1 0 301.192 1.031 10 0 DDAERO CO[C@@H]1CCC[C@H]1Nc1nc(NN)[nH+]cc1Br ZINC000087868917 185234128 /nfs/dbraw/zinc/23/41/28/185234128.db2.gz GOQDIBRESMEZHI-HTQZYQBOSA-N 1 0 302.176 1.504 10 0 DDAERO CN(C[C@@H]1CCCOC1)c1nc(NN)[nH+]cc1Br ZINC000087877705 185234211 /nfs/dbraw/zinc/23/42/11/185234211.db2.gz DGDBKEDANYBSQO-QMMMGPOBSA-N 1 0 316.203 1.388 10 0 DDAERO CNC(=O)[C@H]1CCCN1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000158820192 539217578 /nfs/dbraw/zinc/21/75/78/539217578.db2.gz ZVBGUYKXPCVMOZ-OAHLLOKOSA-N 1 0 324.469 1.563 10 0 DDAERO CC1(C)C[NH2+]CCN1c1ccc(C(F)(F)F)cc1C(N)=O ZINC000088147192 185240573 /nfs/dbraw/zinc/24/05/73/185240573.db2.gz MQQUIHNJQMMSDS-UHFFFAOYSA-N 1 0 301.312 1.993 10 0 DDAERO CC[NH2+][C@H](CS(=O)(=O)CC(=O)OC)c1ccc(C)c(C)c1 ZINC000081975527 192348091 /nfs/dbraw/zinc/34/80/91/192348091.db2.gz AOXYIYVLJOKVAG-CQSZACIVSA-N 1 0 313.419 1.542 10 0 DDAERO C[NH2+]Cc1nnnn1-c1ccc(Cl)cc1Br ZINC000088123589 185240188 /nfs/dbraw/zinc/24/01/88/185240188.db2.gz NGUJHWNBIMRMOZ-UHFFFAOYSA-N 1 0 302.563 1.798 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C(C)C)C(C)C ZINC000183669149 539243069 /nfs/dbraw/zinc/24/30/69/539243069.db2.gz YGJNDFWRSZIEKM-IAGOWNOFSA-N 1 0 319.449 1.860 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1C)C(C)C ZINC000183669391 539242982 /nfs/dbraw/zinc/24/29/82/539242982.db2.gz WSALKXMOZNTMQE-MRXNPFEDSA-N 1 0 305.422 1.314 10 0 DDAERO C[C@@H]1CCCCN1S(=O)(=O)N1CC[NH2+]CC12CCCCC2 ZINC000088396234 185248525 /nfs/dbraw/zinc/24/85/25/185248525.db2.gz FMUHMTVEEXQVDF-CQSZACIVSA-N 1 0 315.483 1.714 10 0 DDAERO COCCCN(C)S(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088550685 185257383 /nfs/dbraw/zinc/25/73/83/185257383.db2.gz ZTSWZEJQGBCCDC-UHFFFAOYSA-N 1 0 304.412 1.435 10 0 DDAERO CC(C)[C@H](C[NH+](C)C)NCc1ccc(S(=O)(=O)N(C)C)o1 ZINC000088540482 185255557 /nfs/dbraw/zinc/25/55/57/185255557.db2.gz QPUNIDNHTUNZCN-ZDUSSCGKSA-N 1 0 317.455 1.206 10 0 DDAERO CC(C)[C@@H](C[NH+](C)C)NCc1ccc(S(=O)(=O)N(C)C)o1 ZINC000088540481 185255859 /nfs/dbraw/zinc/25/58/59/185255859.db2.gz QPUNIDNHTUNZCN-CYBMUJFWSA-N 1 0 317.455 1.206 10 0 DDAERO C[NH2+][C@@H]1CCC2(C[C@H]1S(=O)(=O)C1CCCCC1)OCCO2 ZINC000081978917 192348855 /nfs/dbraw/zinc/34/88/55/192348855.db2.gz AKKNTXUOPDKMTQ-ZIAGYGMSSA-N 1 0 317.451 1.618 10 0 DDAERO Cn1ncnc1COc1ccc(CC[NH3+])cc1Br ZINC000088582681 185258584 /nfs/dbraw/zinc/25/85/84/185258584.db2.gz IDTBFGXOBGSKIP-UHFFFAOYSA-N 1 0 311.183 1.658 10 0 DDAERO CCCN(CC[NH+](C)C)S(=O)(=O)c1cccc(CO)c1 ZINC000088873170 185267547 /nfs/dbraw/zinc/26/75/47/185267547.db2.gz SFVWZALIHCKGFO-UHFFFAOYSA-N 1 0 300.424 1.141 10 0 DDAERO CCOC(=O)CS(=O)(=O)[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH2+]C ZINC000081977849 192349673 /nfs/dbraw/zinc/34/96/73/192349673.db2.gz PRTYPEAMVIRWES-FRRDWIJNSA-N 1 0 305.440 1.377 10 0 DDAERO CCC[NH2+][C@@H]1CCOC[C@@H]1S(=O)(=O)c1ccccc1OC ZINC000081987728 192350694 /nfs/dbraw/zinc/35/06/94/192350694.db2.gz SEABBMLMZULMHN-DOMZBBRYSA-N 1 0 313.419 1.626 10 0 DDAERO CCC[NH2+][C@H](C[S@](=O)CCS(C)(=O)=O)c1ccccc1 ZINC000081992127 192352126 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CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1cccc(Cl)c1 ZINC000090331739 185291348 /nfs/dbraw/zinc/29/13/48/185291348.db2.gz FZKKBOYEMIYRTM-LERXQTSPSA-N 1 0 314.838 1.959 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1S(=O)(=O)N1CCCCCC1 ZINC000090336964 185291892 /nfs/dbraw/zinc/29/18/92/185291892.db2.gz ZMPSDHWFXBWWFG-STQMWFEESA-N 1 0 301.456 1.037 10 0 DDAERO COc1ccc(NC(=O)[C@@H]2COC[C@H]2[NH3+])cc1OC(F)F ZINC000090381104 185293550 /nfs/dbraw/zinc/29/35/50/185293550.db2.gz COEMBSNDPLTXNT-RKDXNWHRSA-N 1 0 302.277 1.209 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000090431506 185295833 /nfs/dbraw/zinc/29/58/33/185295833.db2.gz PLCPVDHHPPOCSZ-LDYMZIIASA-N 1 0 314.769 1.530 10 0 DDAERO CC[NH2+]CCCN(C)S(=O)(=O)N[C@@H](C)c1c(C)noc1C ZINC000092344140 185313339 /nfs/dbraw/zinc/31/33/39/185313339.db2.gz CFBHXTUNXQKJBT-NSHDSACASA-N 1 0 318.443 1.118 10 0 DDAERO Cc1nn(CCS(C)(=O)=O)c(C)c1C[C@H](C)C[NH2+]C1CC1 ZINC000092323503 185312238 /nfs/dbraw/zinc/31/22/38/185312238.db2.gz 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185330092 /nfs/dbraw/zinc/33/00/92/185330092.db2.gz CNELPYBULGKLPJ-JTQLQIEISA-N 1 0 317.842 1.637 10 0 DDAERO CN(C[C@@H]1CCC[N@@H+]1C)c1nc2c(cc1C(N)=S)CCC2 ZINC000092631977 185330265 /nfs/dbraw/zinc/33/02/65/185330265.db2.gz OEWSGILEANLXAU-LBPRGKRZSA-N 1 0 304.463 1.735 10 0 DDAERO Cc1ccc2nc(NC(=O)CN3CCC([NH3+])CC3)sc2c1 ZINC000092713491 185335769 /nfs/dbraw/zinc/33/57/69/185335769.db2.gz UIBXRRAIYDNQPT-UHFFFAOYSA-N 1 0 304.419 1.966 10 0 DDAERO CC[NH2+]C[C@H]1CCCN(S(=O)(=O)NC2C(C)(C)C2(C)C)C1 ZINC000092833238 185344828 /nfs/dbraw/zinc/34/48/28/185344828.db2.gz OEOVTSYMVJOMFV-GFCCVEGCSA-N 1 0 317.499 1.577 10 0 DDAERO COC(=O)Cn1cc(CC[NH2+][C@@H](C)c2cccc(Cl)c2)nn1 ZINC000181422535 199294770 /nfs/dbraw/zinc/29/47/70/199294770.db2.gz QKVBWRTVJSFENS-NSHDSACASA-N 1 0 322.796 1.998 10 0 DDAERO CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000262793655 282294356 /nfs/dbraw/zinc/29/43/56/282294356.db2.gz NVGRMDDKJHPFTK-WUVMZXDYSA-N 1 0 318.508 1.278 10 0 DDAERO C[C@H]([NH2+]C[C@@H](O)Cn1cccn1)c1ccc2c(c1)OCCO2 ZINC000181751477 199347396 /nfs/dbraw/zinc/34/73/96/199347396.db2.gz ABSFJDXOEMEZHN-GXTWGEPZSA-N 1 0 303.362 1.366 10 0 DDAERO CN1C[C@@H]([NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1=O ZINC000381961280 539504194 /nfs/dbraw/zinc/50/41/94/539504194.db2.gz GZTYFILKAUDSEA-OLZOCXBDSA-N 1 0 311.426 1.454 10 0 DDAERO C[NH2+]CC1CCN(c2ncc(Br)c(OC)n2)CC1 ZINC000234355711 201902426 /nfs/dbraw/zinc/90/24/26/201902426.db2.gz HSZJKRCLTHFSAT-UHFFFAOYSA-N 1 0 315.215 1.684 10 0 DDAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1c1ccc(C(N)=O)cc1 ZINC000616636204 362763973 /nfs/dbraw/zinc/76/39/73/362763973.db2.gz RQUXBZHYOWEMIR-ZDUSSCGKSA-N 1 0 305.378 1.667 10 0 DDAERO [NH3+]CC[C@H]1C(=O)Nc2c1cccc2I ZINC000616569342 539559897 /nfs/dbraw/zinc/55/98/97/539559897.db2.gz JWFCSZCHSVSPMA-SSDOTTSWSA-N 1 0 302.115 1.676 10 0 DDAERO COCCN1C(=O)C[C@@H]([NH3+])[C@@H]1c1ccc(Br)s1 ZINC000070294730 190878642 /nfs/dbraw/zinc/87/86/42/190878642.db2.gz WSUDVKKXJBWHJA-RDDDGLTNSA-N 1 0 319.224 1.758 10 0 DDAERO Cc1nc(S(=O)(=O)N(c2ccc(C[NH3+])cc2)C2CC2)c[nH]1 ZINC000070418137 190888423 /nfs/dbraw/zinc/88/84/23/190888423.db2.gz OWVALZSDQJDKNA-UHFFFAOYSA-N 1 0 306.391 1.535 10 0 DDAERO C[NH2+]C[C@@H]1CCN(Cc2nc3sc(C)c(C)c3c(N)n2)C1 ZINC000071145928 190936302 /nfs/dbraw/zinc/93/63/02/190936302.db2.gz FXAKAQUROXABAA-NSHDSACASA-N 1 0 305.451 1.932 10 0 DDAERO C[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)Cc2ncc[nH]2)c1 ZINC000080531948 192165822 /nfs/dbraw/zinc/16/58/22/192165822.db2.gz FAJXSBQBOXUOAW-LLVKDONJSA-N 1 0 308.407 1.511 10 0 DDAERO CC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(Br)cc1 ZINC000083566389 192373592 /nfs/dbraw/zinc/37/35/92/192373592.db2.gz WIRLBZYARDUBBV-VIFPVBQESA-N 1 0 307.213 1.465 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000170830556 306682912 /nfs/dbraw/zinc/68/29/12/306682912.db2.gz CLBCCARXTFUVJL-VXGBXAGGSA-N 1 0 322.375 1.216 10 0 DDAERO Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000083712026 192379071 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Cc1nn(C)c(C)c1CNC(=O)Cc1csc(CCC[NH3+])n1 ZINC000071695734 191008917 /nfs/dbraw/zinc/00/89/17/191008917.db2.gz IUYLSRMNGLLJAC-UHFFFAOYSA-N 1 0 321.450 1.244 10 0 DDAERO Cc1cnn(CCNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000141227819 186029450 /nfs/dbraw/zinc/02/94/50/186029450.db2.gz QEPYYKJTYUGPGZ-GJZGRUSLSA-N 1 0 305.426 1.317 10 0 DDAERO CCN(C)[C@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171480380 186166499 /nfs/dbraw/zinc/16/64/99/186166499.db2.gz JZFQNLURJZGMMN-SJORKVTESA-N 1 0 301.434 1.986 10 0 DDAERO O=C(Nc1nnc(C(F)(F)F)s1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171887234 198000533 /nfs/dbraw/zinc/00/05/33/198000533.db2.gz BKALWUYRPOBZKV-ZETCQYMHSA-N 1 0 321.328 1.869 10 0 DDAERO COc1cc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1C ZINC000171903945 198004955 /nfs/dbraw/zinc/00/49/55/198004955.db2.gz RVNREXSHSNKYJP-HNNXBMFYSA-N 1 0 303.406 1.993 10 0 DDAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000623766556 366045880 /nfs/dbraw/zinc/04/58/80/366045880.db2.gz IGJPYJFXDIYSFB-RYUDHWBXSA-N 1 0 304.159 1.828 10 0 DDAERO Cc1cc(C)n([C@@H]2CCN(c3ncnc4c3CC[NH2+]CC4)C2)n1 ZINC000072447977 191169891 /nfs/dbraw/zinc/16/98/91/191169891.db2.gz OVJKZJPPVHGXGD-CQSZACIVSA-N 1 0 312.421 1.430 10 0 DDAERO Cc1ccc(CNC(=O)CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1F ZINC000172800737 198150857 /nfs/dbraw/zinc/15/08/57/198150857.db2.gz WGNWZSCIYSZBCP-MRXNPFEDSA-N 1 0 319.424 1.920 10 0 DDAERO CC[C@@H]1CN(C(=O)NCCc2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000173272548 198204869 /nfs/dbraw/zinc/20/48/69/198204869.db2.gz ODVDRHHRXMQWBS-NVXWUHKLSA-N 1 0 319.449 1.716 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(NC=O)cc1 ZINC000173472023 198218554 /nfs/dbraw/zinc/21/85/54/198218554.db2.gz JGBWFOASUBQRRE-HZPDHXFCSA-N 1 0 301.390 1.954 10 0 DDAERO CC[C@@H]1CN(C(=O)COc2ccccc2F)CC[N@@H+]1C[C@@H](C)O ZINC000174640268 198363631 /nfs/dbraw/zinc/36/36/31/198363631.db2.gz QVBTUYIRHAQKST-ZIAGYGMSSA-N 1 0 324.396 1.508 10 0 DDAERO C[NH+]1CCN(c2nc3ccc(Cl)cc3c(CC(N)=O)n2)CC1 ZINC000117722711 353995401 /nfs/dbraw/zinc/99/54/01/353995401.db2.gz SUBLTQAOGOOIIQ-UHFFFAOYSA-N 1 0 319.796 1.063 10 0 DDAERO C[NH+](C)C[C@@H](NC(=O)c1ccc2nncn2c1)c1ccccc1 ZINC000129892156 354086394 /nfs/dbraw/zinc/08/63/94/354086394.db2.gz SNFPUTWUUJUYCO-OAHLLOKOSA-N 1 0 309.373 1.762 10 0 DDAERO Oc1ccc(OC[C@H](O)C[NH2+]CCOc2ccccc2)cc1 ZINC000147122637 354163701 /nfs/dbraw/zinc/16/37/01/354163701.db2.gz VSXJUNJARXFZBK-OAHLLOKOSA-N 1 0 303.358 1.801 10 0 DDAERO CSCCCCNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000153632412 354200214 /nfs/dbraw/zinc/20/02/14/354200214.db2.gz VDHPVRKDSYOACP-ZDUSSCGKSA-N 1 0 303.472 1.276 10 0 DDAERO COc1ccc(C(=O)N2CCO[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000328623620 354549647 /nfs/dbraw/zinc/54/96/47/354549647.db2.gz BZGPYMQQCDOIJC-QGZVFWFLSA-N 1 0 318.417 1.878 10 0 DDAERO O=c1cc(CN[C@@H]2CCC[NH2+]C2)nc(-c2cccc(Cl)c2)[nH]1 ZINC000073696169 191342316 /nfs/dbraw/zinc/34/23/16/191342316.db2.gz RPJHKQFDZCOZFF-CYBMUJFWSA-N 1 0 318.808 1.932 10 0 DDAERO CN1C(=O)COc2ccc([C@@H](O)CC[NH+]3CCCCC3)cc21 ZINC000075218237 191442666 /nfs/dbraw/zinc/44/26/66/191442666.db2.gz YMRIPYIQVMXUSS-HNNXBMFYSA-N 1 0 304.390 1.951 10 0 DDAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)N1CCc2ccccc2CC1 ZINC000079574406 191952746 /nfs/dbraw/zinc/95/27/46/191952746.db2.gz LJOUEFHXFXWUQM-AWEZNQCLSA-N 1 0 308.447 1.417 10 0 DDAERO C[C@H]1CCCCN1S(=O)(=O)Nc1ccc(CC(N)=[NH2+])cc1 ZINC000079783073 191972181 /nfs/dbraw/zinc/97/21/81/191972181.db2.gz XLQHRBMTWWKZRB-NSHDSACASA-N 1 0 310.423 1.696 10 0 DDAERO C[C@H](O)[C@H]([NH3+])CNc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000080740928 192187616 /nfs/dbraw/zinc/18/76/16/192187616.db2.gz RSHVQGREFHUTTO-OIBJUYFYSA-N 1 0 312.313 1.100 10 0 DDAERO CC(C)C[NH2+]C[C@H](C)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081542725 192288419 /nfs/dbraw/zinc/28/84/19/192288419.db2.gz FDUQRPSYFSLBDD-JTQLQIEISA-N 1 0 305.348 1.747 10 0 DDAERO CC[NH2+][C@@H](c1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000086021245 192544135 /nfs/dbraw/zinc/54/41/35/192544135.db2.gz WUSKFLBEXNHOBR-IINYFYTJSA-N 1 0 301.383 1.920 10 0 DDAERO C[C@@H]1COc2ccc([C@@H]([NH3+])[C@@H]3CCS(=O)(=O)C3)cc2OC1 ZINC000086023120 192545125 /nfs/dbraw/zinc/54/51/25/192545125.db2.gz TZRHSVFINNWNLD-IXPVHAAZSA-N 1 0 311.403 1.528 10 0 DDAERO CC(C)[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1[C@@H]1CCCS(=O)(=O)C1 ZINC000086266067 192557557 /nfs/dbraw/zinc/55/75/57/192557557.db2.gz NHOPVVVQHHHKJQ-QLFBSQMISA-N 1 0 316.511 1.908 10 0 DDAERO CC[C@H]1C[NH2+]C2(CCCCC2)CN1C[C@@H]1CCS(=O)(=O)C1 ZINC000086261548 192557721 /nfs/dbraw/zinc/55/77/21/192557721.db2.gz QWAYMKNIJINZKA-GJZGRUSLSA-N 1 0 314.495 1.808 10 0 DDAERO CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000237090242 202150705 /nfs/dbraw/zinc/15/07/05/202150705.db2.gz QQUHPDGGHQCIKN-CABZTGNLSA-N 1 0 311.332 1.489 10 0 DDAERO COCC[S@@](=O)Cc1cccc(NC(=O)[C@H]2CC[NH2+]C2)c1 ZINC000237122600 202159388 /nfs/dbraw/zinc/15/93/88/202159388.db2.gz WUKWRLAOZLLRJV-YEJXKQKISA-N 1 0 310.419 1.130 10 0 DDAERO CC[NH2+]CCn1nc(C)c(S(=O)(=O)N2CCCCC2)c1C ZINC000088921837 192658495 /nfs/dbraw/zinc/65/84/95/192658495.db2.gz PJRWREPZAUOBPW-UHFFFAOYSA-N 1 0 314.455 1.284 10 0 DDAERO CCCN(C1CC1)S(=O)(=O)c1ccc(OC)c(C[NH2+]C)c1 ZINC000088946052 192664368 /nfs/dbraw/zinc/66/43/68/192664368.db2.gz PEGRXNIYQNKLBV-UHFFFAOYSA-N 1 0 312.435 1.978 10 0 DDAERO CC1(C)CN(S(=O)(=O)c2ccc(F)c(C[NH3+])c2F)CCO1 ZINC000088969387 192672887 /nfs/dbraw/zinc/67/28/87/192672887.db2.gz BVFYUPJESDOWQQ-UHFFFAOYSA-N 1 0 320.361 1.223 10 0 DDAERO CC[NH2+]Cc1cccc(CS(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000088984710 192680462 /nfs/dbraw/zinc/68/04/62/192680462.db2.gz VZRPKGNVDLYCEP-HNNXBMFYSA-N 1 0 312.435 1.395 10 0 DDAERO CCC(CC)CN(CC)S(=O)(=O)c1cnn(CC[NH2+]C)c1 ZINC000088994170 192686828 /nfs/dbraw/zinc/68/68/28/192686828.db2.gz YRUDQFFAQTVDLN-UHFFFAOYSA-N 1 0 316.471 1.549 10 0 DDAERO CC[C@H]1CN(Cc2cccc3nccn32)CC[N@@H+]1C[C@@H](C)O ZINC000180085295 199115946 /nfs/dbraw/zinc/11/59/46/199115946.db2.gz HWNDFSJTLNRTMO-CABCVRRESA-N 1 0 302.422 1.611 10 0 DDAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)[C@@H](C)CC(C)C ZINC000089004797 192692569 /nfs/dbraw/zinc/69/25/69/192692569.db2.gz AYKODUZGCYSOCH-UONOGXRCSA-N 1 0 305.488 1.672 10 0 DDAERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cnn(C)c2)ncn1 ZINC000180567549 199177006 /nfs/dbraw/zinc/17/70/06/199177006.db2.gz NPNIDGLKLFLUGO-TZMCWYRMSA-N 1 0 315.425 1.571 10 0 DDAERO CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000180734018 199203060 /nfs/dbraw/zinc/20/30/60/199203060.db2.gz ZLPFJXWVTRKPIN-QMMMGPOBSA-N 1 0 301.749 1.975 10 0 DDAERO COc1ccc(C(=O)N[C@@H](C(=O)NCCCC[NH3+])C(C)C)cc1 ZINC000181059356 199246900 /nfs/dbraw/zinc/24/69/00/199246900.db2.gz WTNIJZAKIROESJ-OAHLLOKOSA-N 1 0 321.421 1.305 10 0 DDAERO CCC(C)(C)N(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]C1CC1 ZINC000089039442 192714118 /nfs/dbraw/zinc/71/41/18/192714118.db2.gz USHPJNXUDMDFFJ-CQSZACIVSA-N 1 0 317.499 1.958 10 0 DDAERO CC(C)[NH2+]CCCN(C)S(=O)(=O)N1CCC[C@@H]1C(C)C ZINC000089051098 192721864 /nfs/dbraw/zinc/72/18/64/192721864.db2.gz LEALKXGBPKUOJU-CQSZACIVSA-N 1 0 305.488 1.672 10 0 DDAERO O=C(NCC[N@@H+]1CCCOCC1)N[C@H]1COc2ccccc21 ZINC000187077834 200057332 /nfs/dbraw/zinc/05/73/32/200057332.db2.gz VHRVSGHWQMDINH-AWEZNQCLSA-N 1 0 305.378 1.142 10 0 DDAERO Cc1coc2ccc(NC(=O)C(=O)N3CC[C@H]([NH+](C)C)C3)cc12 ZINC000187933002 200178914 /nfs/dbraw/zinc/17/89/14/200178914.db2.gz AJLXBBGXXWUJMP-ZDUSSCGKSA-N 1 0 315.373 1.842 10 0 DDAERO CCc1ccccc1CC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000188569552 200267474 /nfs/dbraw/zinc/26/74/74/200267474.db2.gz VFIRQJZAXXLTFR-LSDHHAIUSA-N 1 0 304.434 1.705 10 0 DDAERO C[C@@H]1C(=O)NCCC[N@H+]1CCC(=O)N1CCc2ccccc21 ZINC000189287988 200376523 /nfs/dbraw/zinc/37/65/23/200376523.db2.gz DUZYYKACRGHFDU-CYBMUJFWSA-N 1 0 301.390 1.176 10 0 DDAERO CC(C)C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1nc(-c2nc[nH]n2)no1 ZINC000195101809 201339568 /nfs/dbraw/zinc/33/95/68/201339568.db2.gz ONCAFVQTBQFOHO-TUAOUCFPSA-N 1 0 320.397 1.957 10 0 DDAERO [NH3+][C@H]1CCCN(C(=O)CCCNC(=O)NC2CCCCC2)C1 ZINC000195116564 201340976 /nfs/dbraw/zinc/34/09/76/201340976.db2.gz IXTNFSIZHUJJEL-ZDUSSCGKSA-N 1 0 310.442 1.348 10 0 DDAERO CC(C)NC(=O)CN1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195282520 201372198 /nfs/dbraw/zinc/37/21/98/201372198.db2.gz DVKAWGLKFWUQPR-MRXNPFEDSA-N 1 0 304.438 1.360 10 0 DDAERO Cn1ccnc(N2CCC[C@H]([NH2+]Cc3ccsc3)C2)c1=O ZINC000275481599 212361406 /nfs/dbraw/zinc/36/14/06/212361406.db2.gz IJJADPVPBGMWSK-ZDUSSCGKSA-N 1 0 304.419 1.600 10 0 DDAERO O=C(C[C@@H]1CSCC[NH2+]1)Nc1ccc(-c2nnco2)cc1 ZINC000091138118 193003623 /nfs/dbraw/zinc/00/36/23/193003623.db2.gz YVCYOAHIPAYQRI-GFCCVEGCSA-N 1 0 304.375 1.770 10 0 DDAERO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccnc(Cl)c2)C1 ZINC000091391530 193050143 /nfs/dbraw/zinc/05/01/43/193050143.db2.gz SRYMOUTWZHSACB-SNVBAGLBSA-N 1 0 303.815 1.450 10 0 DDAERO CCNS(=O)(=O)c1ccccc1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091544020 193071572 /nfs/dbraw/zinc/07/15/72/193071572.db2.gz PXJFJBYDCBFQJP-GHMZBOCLSA-N 1 0 311.407 1.051 10 0 DDAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)[C@](C)(CC)N1CCOCC1 ZINC000091612971 193079450 /nfs/dbraw/zinc/07/94/50/193079450.db2.gz MEEDOLVSLYFYIQ-GJZGRUSLSA-N 1 0 320.499 1.290 10 0 DDAERO COCC[NH2+]C[C@H](O)Cc1cc(F)ccc1Br ZINC000091467393 193060713 /nfs/dbraw/zinc/06/07/13/193060713.db2.gz MTMBEEWLYFAKFK-LLVKDONJSA-N 1 0 306.175 1.728 10 0 DDAERO CSC1(C(N)=S)CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000091488141 193063479 /nfs/dbraw/zinc/06/34/79/193063479.db2.gz BZQFGTCDWRMSGY-JTQLQIEISA-N 1 0 301.481 1.139 10 0 DDAERO Cc1nc(NC(=O)[C@@H]2COC[C@H]2[NH3+])ccc1Br ZINC000091506997 193065847 /nfs/dbraw/zinc/06/58/47/193065847.db2.gz HIYQBYXKZFLKTF-VXNVDRBHSA-N 1 0 300.156 1.065 10 0 DDAERO O[C@H](CNC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1Cl ZINC000091668022 193087502 /nfs/dbraw/zinc/08/75/02/193087502.db2.gz UZZRFMPUECRCMO-XJKCOSOUSA-N 1 0 310.825 1.826 10 0 DDAERO CC[NH2+][C@H](Cc1c(Cl)c(C)nn1CC)[C@H]1CN(C)CCO1 ZINC000091718661 193096698 /nfs/dbraw/zinc/09/66/98/193096698.db2.gz PQZWNMJYRVHERF-TZMCWYRMSA-N 1 0 314.861 1.716 10 0 DDAERO C[NH2+][C@H](Cc1c(Cl)c(C)nn1C)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091720995 193096999 /nfs/dbraw/zinc/09/69/99/193096999.db2.gz VJCZFIHHKSVZGZ-YRGRVCCFSA-N 1 0 312.845 1.376 10 0 DDAERO CCCn1cc(S(=O)(=O)N(C)C2CCC([NH3+])CC2)nc1C ZINC000091846007 193116779 /nfs/dbraw/zinc/11/67/79/193116779.db2.gz DNTLLYJJZZUSMS-UHFFFAOYSA-N 1 0 314.455 1.492 10 0 DDAERO CCc1nc(S(=O)(=O)N(C)C2CCC([NH2+]C)CC2)c[nH]1 ZINC000091869979 193120919 /nfs/dbraw/zinc/12/09/19/193120919.db2.gz KFAVSXVLMCQYSE-UHFFFAOYSA-N 1 0 300.428 1.123 10 0 DDAERO C[C@@H](C[NH3+])[C@H](O)c1cc(Br)c2c(c1)OCCO2 ZINC000091913263 193124851 /nfs/dbraw/zinc/12/48/51/193124851.db2.gz BUPGSPHFXBCJBB-CPCISQLKSA-N 1 0 302.168 1.849 10 0 DDAERO CCc1ccccc1OCCN1CC[C@@]2(O)CC[NH2+]C[C@H]2C1 ZINC000091915163 193126147 /nfs/dbraw/zinc/12/61/47/193126147.db2.gz FTEHBZRFVPQVJB-WMZOPIPTSA-N 1 0 304.434 1.674 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN(C(=O)N2CCCCCC2)CC1 ZINC000091971362 193133941 /nfs/dbraw/zinc/13/39/41/193133941.db2.gz UWQAPCRYBRCDMJ-CYBMUJFWSA-N 1 0 312.483 1.665 10 0 DDAERO CCS(=O)(=O)CCOc1ccc(C)nc1C[NH2+]CC(C)C ZINC000091996441 193138759 /nfs/dbraw/zinc/13/87/59/193138759.db2.gz CGYBINYMYVXDDO-UHFFFAOYSA-N 1 0 314.451 1.949 10 0 DDAERO Cc1[nH]nc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)c1C[NH2+]C(C)C ZINC000092113429 193161594 /nfs/dbraw/zinc/16/15/94/193161594.db2.gz FLDDDABUPLITPQ-QWRGUYRKSA-N 1 0 314.455 1.493 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)NCc2ccsc2)c(F)c1 ZINC000092116159 193164133 /nfs/dbraw/zinc/16/41/33/193164133.db2.gz GSOJPMDNVXGEIR-UHFFFAOYSA-N 1 0 300.380 1.824 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)NCC[C@@H]2CCCO2)c(F)c1 ZINC000092116000 193164370 /nfs/dbraw/zinc/16/43/70/193164370.db2.gz GSEMAJXCLNFIMJ-NSHDSACASA-N 1 0 302.371 1.132 10 0 DDAERO CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115896 193164609 /nfs/dbraw/zinc/16/46/09/193164609.db2.gz HHCUVIGFRYZROR-LLVKDONJSA-N 1 0 302.371 1.084 10 0 DDAERO C[C@H](Cc1ccco1)NS(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115932 193164651 /nfs/dbraw/zinc/16/46/51/193164651.db2.gz CQJXTRFHIODELB-SNVBAGLBSA-N 1 0 312.366 1.787 10 0 DDAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2ccc(OCC(F)(F)F)nc2)C1 ZINC000092202513 193173107 /nfs/dbraw/zinc/17/31/07/193173107.db2.gz CBXHMOFLGJYPTC-BDAKNGLRSA-N 1 0 301.268 1.865 10 0 DDAERO c1ccc2c(c1)C[C@@H](c1nc(CN3CC[NH2+]CC3)no1)S2 ZINC000092234170 193177605 /nfs/dbraw/zinc/17/76/05/193177605.db2.gz GLEHBVJENCHUPY-ZDUSSCGKSA-N 1 0 302.403 1.864 10 0 DDAERO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)O1 ZINC000261921325 203152361 /nfs/dbraw/zinc/15/23/61/203152361.db2.gz YQQMXFUOTYZORF-KFWWJZLASA-N 1 0 306.362 1.299 10 0 DDAERO COCC[NH2+]C[C@@H](CCS(C)(=O)=O)c1ccc(F)cc1 ZINC000093148026 193207723 /nfs/dbraw/zinc/20/77/23/193207723.db2.gz UCEHTDZJQVWKJY-CYBMUJFWSA-N 1 0 303.399 1.580 10 0 DDAERO C[S@](=O)C[C@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000262295293 203253894 /nfs/dbraw/zinc/25/38/94/203253894.db2.gz ORTZUUURJYEYKS-FQEHYLHMSA-N 1 0 308.447 1.740 10 0 DDAERO CCN(Cc1ccccn1)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262334698 203265122 /nfs/dbraw/zinc/26/51/22/203265122.db2.gz SOOZUDBUYLCSLM-CVEARBPZSA-N 1 0 313.405 1.167 10 0 DDAERO O=C(Nc1cccc(CCC(F)(F)F)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262355046 203270587 /nfs/dbraw/zinc/27/05/87/203270587.db2.gz HUNYZGFSYGVQBI-NEPJUHHUSA-N 1 0 302.296 1.843 10 0 DDAERO [NH3+]C[C@H](c1ccccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000093181539 193211803 /nfs/dbraw/zinc/21/18/03/193211803.db2.gz XUGMZJUIUWMJJS-ONGXEEELSA-N 1 0 318.236 1.926 10 0 DDAERO C[C@H](NC(=O)COCC[NH3+])c1cccc(Br)c1 ZINC000093230718 193219765 /nfs/dbraw/zinc/21/97/65/193219765.db2.gz QDMQTUXXCHQXTN-VIFPVBQESA-N 1 0 301.184 1.602 10 0 DDAERO CC[C@@H](C)CN(CC)S(=O)(=O)c1cc(C[NH2+]C)n(C)c1 ZINC000093265843 193222719 /nfs/dbraw/zinc/22/27/19/193222719.db2.gz OVPYUCSMPSJJEA-GFCCVEGCSA-N 1 0 301.456 1.801 10 0 DDAERO [NH2+]=C1NC[C@H](c2cc(Br)c3c(c2)OCCCO3)N1 ZINC000093357454 193237143 /nfs/dbraw/zinc/23/71/43/193237143.db2.gz RNFLPOIDADVHKL-SECBINFHSA-N 1 0 312.167 1.569 10 0 DDAERO Cc1ccc(N[C@H](C)C[C@H]2CCCC[NH2+]2)cc1S(N)(=O)=O ZINC000093473466 193257283 /nfs/dbraw/zinc/25/72/83/193257283.db2.gz IPRXMDGTTXWQFP-CHWSQXEVSA-N 1 0 311.451 1.975 10 0 DDAERO CCC[C@]1(C(=O)NCC(C)(C)S(C)(=O)=O)CCC[NH2+]C1 ZINC000093526180 193263984 /nfs/dbraw/zinc/26/39/84/193263984.db2.gz AAEHKFIJMCXILC-AWEZNQCLSA-N 1 0 304.456 1.096 10 0 DDAERO C[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCn1ccc(C(F)(F)F)n1 ZINC000093598784 193272941 /nfs/dbraw/zinc/27/29/41/193272941.db2.gz PIEXJOOMZDOBPT-CABZTGNLSA-N 1 0 304.316 1.536 10 0 DDAERO NC(=O)[C@]1([NH3+])CCC[C@@H]1CCn1ccnc1-c1cccs1 ZINC000093615371 193275378 /nfs/dbraw/zinc/27/53/78/193275378.db2.gz HEKIYPBVWYWHDZ-ABAIWWIYSA-N 1 0 304.419 1.985 10 0 DDAERO CS(=O)(=O)c1ccc(OCC[C@@H]2CCC[C@]2(O)C[NH3+])cc1 ZINC000093628237 193276204 /nfs/dbraw/zinc/27/62/04/193276204.db2.gz UFDCJOVFOWZRON-WFASDCNBSA-N 1 0 313.419 1.349 10 0 DDAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCSc1nnc(C)o1 ZINC000093630253 193277791 /nfs/dbraw/zinc/27/77/91/193277791.db2.gz GGSJBSZKRWEFFY-RISCZKNCSA-N 1 0 312.439 1.884 10 0 DDAERO C[NH2+]Cc1ccc(OC[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000093695930 193290855 /nfs/dbraw/zinc/29/08/55/193290855.db2.gz YMTTVCWOWSAGJK-AWEZNQCLSA-N 1 0 312.435 1.456 10 0 DDAERO CS(=O)(=O)N1CCC[C@H](COCC[C@@H]2CCC[NH2+]C2)C1 ZINC000093697827 193292704 /nfs/dbraw/zinc/29/27/04/193292704.db2.gz JJDXVPFGZWXJGM-KBPBESRZSA-N 1 0 304.456 1.064 10 0 DDAERO CC(=O)C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697350 193292727 /nfs/dbraw/zinc/29/27/27/193292727.db2.gz GYOPUIXREKIZTA-LSDHHAIUSA-N 1 0 316.467 1.492 10 0 DDAERO CC[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)CC(F)(F)F ZINC000093700080 193293905 /nfs/dbraw/zinc/29/39/05/193293905.db2.gz TZMIKPMVQCMYDD-WDEREUQCSA-N 1 0 316.389 1.979 10 0 DDAERO COC(=O)C(C)(C)C[NH+]1CCC(SC)(C(N)=S)CC1 ZINC000093717204 193296424 /nfs/dbraw/zinc/29/64/24/193296424.db2.gz VCJHQDWCRDKALI-UHFFFAOYSA-N 1 0 304.481 1.669 10 0 DDAERO CN[C@]1(C(N)=O)CCC[C@H]([N@@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000093756650 193301661 /nfs/dbraw/zinc/30/16/61/193301661.db2.gz IAEVITNCBUEEFC-GMXVVIOVSA-N 1 0 307.360 1.647 10 0 DDAERO COCCN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCSC1 ZINC000093677203 193288082 /nfs/dbraw/zinc/28/80/82/193288082.db2.gz LDCIKCURDOJMBH-DKUMPPAJSA-N 1 0 312.479 1.888 10 0 DDAERO CCCN[C@@]1(C(=O)OCC)CC[C@H]([N@H+](CC)CCOC)C1 ZINC000093827375 193313588 /nfs/dbraw/zinc/31/35/88/193313588.db2.gz IEAJWGPRRDOKKQ-HOCLYGCPSA-N 1 0 300.443 1.809 10 0 DDAERO CCN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccccc1OC ZINC000093878191 193322006 /nfs/dbraw/zinc/32/20/06/193322006.db2.gz LVMOTMMSRJPOIH-UHFFFAOYSA-N 1 0 300.424 1.691 10 0 DDAERO CN(CC1CC[NH2+]CC1)C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000094022177 193339442 /nfs/dbraw/zinc/33/94/42/193339442.db2.gz CNKGAPGTQWPWEF-UHFFFAOYSA-N 1 0 310.419 1.162 10 0 DDAERO CC[C@H]([NH3+])[C@H](c1ccccc1F)N(C)CCS(C)(=O)=O ZINC000094297121 193357112 /nfs/dbraw/zinc/35/71/12/193357112.db2.gz FRHAAQFZNTVMRY-KBPBESRZSA-N 1 0 302.415 1.581 10 0 DDAERO CC[NH2+][C@H]1c2ccccc2OC[C@@H]1N(C)CCS(C)(=O)=O ZINC000094298252 193357982 /nfs/dbraw/zinc/35/79/82/193357982.db2.gz JFTQIPFKGQQQME-ZFWWWQNUSA-N 1 0 312.435 1.075 10 0 DDAERO CCC[NH2+]Cc1cc(F)c(OC[C@@H]2CNC(=O)O2)c(F)c1 ZINC000094347133 193363014 /nfs/dbraw/zinc/36/30/14/193363014.db2.gz WHYHDPSXTSAFDZ-JTQLQIEISA-N 1 0 300.305 1.952 10 0 DDAERO [NH3+]CCNC(=O)[C@@H]1CCCN(c2ncc(Cl)cc2F)C1 ZINC000094052528 193341687 /nfs/dbraw/zinc/34/16/87/193341687.db2.gz PRFUTDYPBSTCHQ-SECBINFHSA-N 1 0 300.765 1.165 10 0 DDAERO Cc1cc(Br)cnc1N1CCN([C@H](C)C[NH3+])CC1 ZINC000094050241 193341937 /nfs/dbraw/zinc/34/19/37/193341937.db2.gz PFZCQSWUFALVPL-LLVKDONJSA-N 1 0 313.243 1.622 10 0 DDAERO Cc1c(NC[C@@H]2CCCC[N@H+]2C)cc(N)cc1S(N)(=O)=O ZINC000094360086 193364945 /nfs/dbraw/zinc/36/49/45/193364945.db2.gz NCXPVTCVGXEVFY-LBPRGKRZSA-N 1 0 312.439 1.121 10 0 DDAERO NS(=O)(=O)c1ccc(Cl)c(NC2CCC([NH3+])CC2)c1 ZINC000094081340 193343875 /nfs/dbraw/zinc/34/38/75/193343875.db2.gz IJVUXJSYKJGEHE-UHFFFAOYSA-N 1 0 303.815 1.669 10 0 DDAERO Cc1cc(N)c(C)c(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1 ZINC000094358963 193365342 /nfs/dbraw/zinc/36/53/42/193365342.db2.gz WKUIEDATHNERLJ-ZDUSSCGKSA-N 1 0 311.451 1.600 10 0 DDAERO CS(=O)(=O)[C@@H]1CCC[C@H]([N@@H+]2CCC[C@H](C(N)=S)C2)C1 ZINC000094636666 193387192 /nfs/dbraw/zinc/38/71/92/193387192.db2.gz UYWPMAJFAXDECX-SDDRHHMPSA-N 1 0 304.481 1.340 10 0 DDAERO Cc1ncccc1C(=O)N1CC[NH+](C(C)(C)C(N)=S)CC1 ZINC000094646617 193389778 /nfs/dbraw/zinc/38/97/78/193389778.db2.gz LZCIPUHFMHRTOQ-UHFFFAOYSA-N 1 0 306.435 1.213 10 0 DDAERO Cn1ncc2c1nnn(CC[NH2+]Cc1ccc(Cl)s1)c2=O ZINC000094645781 193389990 /nfs/dbraw/zinc/38/99/90/193389990.db2.gz BVAMOFJFSLZVQI-UHFFFAOYSA-N 1 0 324.797 1.030 10 0 DDAERO C[NH2+][C@H]([C@H]1CCOC2(CCSCC2)C1)[C@@H]1CN(C)CCO1 ZINC000094407344 193367614 /nfs/dbraw/zinc/36/76/14/193367614.db2.gz NQTBPVCLDBIMRY-SOUVJXGZSA-N 1 0 314.495 1.597 10 0 DDAERO COCC[NH2+]CC[C@@](C)(O)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094418786 193369160 /nfs/dbraw/zinc/36/91/60/193369160.db2.gz RSIHMDVQHJTGBP-HUUCEWRRSA-N 1 0 301.427 1.339 10 0 DDAERO CC(C)[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC000094434372 193370034 /nfs/dbraw/zinc/37/00/34/193370034.db2.gz ALASZBHYRSRRDW-XHSDSOJGSA-N 1 0 314.495 1.616 10 0 DDAERO Cc1cc(N)ccc1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000094457284 193370838 /nfs/dbraw/zinc/37/08/38/193370838.db2.gz IRSYMOHYVUOJCZ-JSGCOSHPSA-N 1 0 309.435 1.434 10 0 DDAERO C[C@H](c1nc([C@H]2CSCCS2)no1)N1CC[NH2+]CC1 ZINC000094495729 193373501 /nfs/dbraw/zinc/37/35/01/193373501.db2.gz NYPPROPBKDQZQQ-NXEZZACHSA-N 1 0 300.453 1.557 10 0 DDAERO [NH3+][C@@H](Cc1cc(Br)cs1)[C@H]1CN2CCN1CC2 ZINC000094508088 193375271 /nfs/dbraw/zinc/37/52/71/193375271.db2.gz VDSPKAORXNGHJS-NWDGAFQWSA-N 1 0 316.268 1.380 10 0 DDAERO [NH3+][C@@H](c1cccc(OC(F)(F)F)c1)[C@@H]1CN2CCN1CC2 ZINC000094508324 193375788 /nfs/dbraw/zinc/37/57/88/193375788.db2.gz IGHDETCFVTWKOD-STQMWFEESA-N 1 0 301.312 1.585 10 0 DDAERO [NH3+][C@@H](c1cc(Br)ccc1F)[C@H]1CN2CCN1CC2 ZINC000094508887 193376247 /nfs/dbraw/zinc/37/62/47/193376247.db2.gz AJHFPKIDKTURDL-OLZOCXBDSA-N 1 0 314.202 1.588 10 0 DDAERO C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2N)C1 ZINC000094598639 193383469 /nfs/dbraw/zinc/38/34/69/193383469.db2.gz WJWYDPPGUUKCBV-VIFPVBQESA-N 1 0 301.312 1.969 10 0 DDAERO [NH3+][C@H]1CCC2(C[C@@H]1S(=O)(=O)c1cccc(F)c1)OCCO2 ZINC000094624825 193385174 /nfs/dbraw/zinc/38/51/74/193385174.db2.gz HLRYSAVHUXUMIS-STQMWFEESA-N 1 0 315.366 1.222 10 0 DDAERO NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000094749126 193395481 /nfs/dbraw/zinc/39/54/81/193395481.db2.gz LFONNEZDVHNRRL-CHWSQXEVSA-N 1 0 311.407 1.180 10 0 DDAERO Cc1cc(N(C)[C@@H]2CCS(=O)(=O)C2)c([C@H](C)[NH3+])cc1F ZINC000094765849 193396794 /nfs/dbraw/zinc/39/67/94/193396794.db2.gz FMECWLUAEIMQRC-WDEREUQCSA-N 1 0 300.399 1.777 10 0 DDAERO O=C(OCCN1CC[NH2+]CC1)c1ccc(Br)o1 ZINC000096586804 193681459 /nfs/dbraw/zinc/68/14/59/193681459.db2.gz JCVAROCZAFZQSQ-UHFFFAOYSA-N 1 0 303.156 1.104 10 0 DDAERO COC(=O)[C@H](c1ccccc1F)N1CCO[C@H](C[NH+](C)C)C1 ZINC000173338370 284305931 /nfs/dbraw/zinc/30/59/31/284305931.db2.gz ZZVXAUJJMIKLOL-DOMZBBRYSA-N 1 0 310.369 1.302 10 0 DDAERO C[NH2+][C@@H](COC(C)(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000097309289 193707081 /nfs/dbraw/zinc/70/70/81/193707081.db2.gz RAQSCTJTAVPULX-QWHCGFSZSA-N 1 0 306.472 1.451 10 0 DDAERO CCc1noc(C)c1CN1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000019224463 182108079 /nfs/dbraw/zinc/10/80/79/182108079.db2.gz FBLHKXWZCYMPQY-IRXDYDNUSA-N 1 0 307.438 1.967 10 0 DDAERO O=S(=O)(Nc1ccc2c(c1)OCCCO2)[C@@H]1CCC[NH2+]C1 ZINC000019232866 182110382 /nfs/dbraw/zinc/11/03/82/182110382.db2.gz BIWACKRYYBTMGV-GFCCVEGCSA-N 1 0 312.391 1.342 10 0 DDAERO COc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1C[NH3+] ZINC000020190039 182195587 /nfs/dbraw/zinc/19/55/87/182195587.db2.gz VXYHQDBYDRNCRU-UHFFFAOYSA-N 1 0 306.387 1.979 10 0 DDAERO O=S(=O)(Nc1cc(Cl)cc(Cl)c1)N1CC[NH2+]CC1 ZINC000021008566 182259265 /nfs/dbraw/zinc/25/92/65/182259265.db2.gz UXSIMFSXBINKFJ-UHFFFAOYSA-N 1 0 310.206 1.555 10 0 DDAERO CCCSCC(=O)N1CCC[C@@H](Cn2cc(C[NH3+])nn2)C1 ZINC000023543763 182363164 /nfs/dbraw/zinc/36/31/64/182363164.db2.gz IPWUDSBTUCNDER-GFCCVEGCSA-N 1 0 311.455 1.119 10 0 DDAERO O=C(NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)NC1CC1 ZINC000172117518 248324527 /nfs/dbraw/zinc/32/45/27/248324527.db2.gz JHFZRJGETRPAQX-KRWDZBQOSA-N 1 0 317.433 1.894 10 0 DDAERO O=C1C(C[NH2+]CCCn2ccnc2)=CC2=CC=C[C@@H]3CCN1[C@H]23 ZINC000039287533 183016402 /nfs/dbraw/zinc/01/64/02/183016402.db2.gz JLBPPPPDSRKOMD-PBHICJAKSA-N 1 0 310.401 1.516 10 0 DDAERO Cc1cc(N)ccc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040621231 183109885 /nfs/dbraw/zinc/10/98/85/183109885.db2.gz IREJDLNIWHFTQP-ZDUSSCGKSA-N 1 0 311.451 1.586 10 0 DDAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1c(F)cccc1F ZINC000040749928 183128796 /nfs/dbraw/zinc/12/87/96/183128796.db2.gz KURWYJJUDISQCB-PBINXNQUSA-N 1 0 302.346 1.608 10 0 DDAERO O=C(c1ccc(Cl)cc1Cl)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424052154 284653928 /nfs/dbraw/zinc/65/39/28/284653928.db2.gz AQHQEJQWAMMPRY-NWDGAFQWSA-N 1 0 301.173 1.806 10 0 DDAERO COC(=O)[C@H](NCC[NH+](C)C)c1cc(Br)cs1 ZINC000041678191 183216027 /nfs/dbraw/zinc/21/60/27/183216027.db2.gz OATIKGQAKTVHOP-SNVBAGLBSA-N 1 0 321.240 1.876 10 0 DDAERO COC(=O)[C@@H](NCC[NH+](C)C)c1cc(Br)cs1 ZINC000041678189 183216224 /nfs/dbraw/zinc/21/62/24/183216224.db2.gz OATIKGQAKTVHOP-JTQLQIEISA-N 1 0 321.240 1.876 10 0 DDAERO CN(C)C(=O)C[NH2+]CCOc1ccc(Br)cc1 ZINC000042225992 183244549 /nfs/dbraw/zinc/24/45/49/183244549.db2.gz RBNAJYCXAIDDHE-UHFFFAOYSA-N 1 0 301.184 1.506 10 0 DDAERO CNC(=O)NC(=O)[C@H](C)[NH2+]Cc1ccc(Br)cc1 ZINC000042240113 183245757 /nfs/dbraw/zinc/24/57/57/183245757.db2.gz ACVFHOYXGIQDAB-QMMMGPOBSA-N 1 0 314.183 1.383 10 0 DDAERO [NH3+]Cc1cccc(CS(=O)(=O)N(CCO)C2CCCC2)c1 ZINC000042514403 183279028 /nfs/dbraw/zinc/27/90/28/183279028.db2.gz GXXRHHYZFCMLEU-UHFFFAOYSA-N 1 0 312.435 1.212 10 0 DDAERO CC[C@@H](C)N(CCOC)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000042592586 183288620 /nfs/dbraw/zinc/28/86/20/183288620.db2.gz CSIMSMOYOWRGFV-KGLIPLIRSA-N 1 0 306.472 1.595 10 0 DDAERO CC[C@H]([NH3+])Cc1cc2c(cc1OCCS(C)(=O)=O)OCO2 ZINC000042878908 183316341 /nfs/dbraw/zinc/31/63/41/183316341.db2.gz WYTARJXWFAIVOW-NSHDSACASA-N 1 0 315.391 1.119 10 0 DDAERO CC[C@H]([NH3+])[C@@H](c1ccc(F)cc1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000042914731 183318092 /nfs/dbraw/zinc/31/80/92/183318092.db2.gz HALXPNMELPKISP-QLFBSQMISA-N 1 0 314.426 1.723 10 0 DDAERO COCCNC(=O)CN(C)[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH3+] ZINC000042946592 183320636 /nfs/dbraw/zinc/32/06/36/183320636.db2.gz PPTXXCWGQKKXKJ-IAQYHMDHSA-N 1 0 313.829 1.423 10 0 DDAERO Cn1nnnc1S[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043024193 183331229 /nfs/dbraw/zinc/33/12/29/183331229.db2.gz QJXRBGVXDPZNOL-VIFPVBQESA-N 1 0 314.212 1.765 10 0 DDAERO Cn1nnnc1S[C@@H](C[NH3+])c1ccccc1Br ZINC000043095705 183337662 /nfs/dbraw/zinc/33/76/62/183337662.db2.gz AJJAUPSJIXYULP-VIFPVBQESA-N 1 0 314.212 1.765 10 0 DDAERO CC[C@H]([NH3+])[C@H](c1ccc(C)s1)N(C)CC(=O)NCCOC ZINC000043242790 183347150 /nfs/dbraw/zinc/34/71/50/183347150.db2.gz GWNHLAQQQDOEHN-SWLSCSKDSA-N 1 0 313.467 1.529 10 0 DDAERO CC[NH2+][C@@H](c1cccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000043300921 183352175 /nfs/dbraw/zinc/35/21/75/183352175.db2.gz NLLVYDHRCDIQAA-BXUZGUMPSA-N 1 0 313.419 1.789 10 0 DDAERO C[C@H]([NH3+])[C@@H](Oc1ccc(S(C)(=O)=O)cc1)c1cccnc1 ZINC000043351291 183356574 /nfs/dbraw/zinc/35/65/74/183356574.db2.gz ONHPYNPAPXJPRZ-XHDPSFHLSA-N 1 0 306.387 1.952 10 0 DDAERO Cc1ccc(OCCS(C)(=O)=O)c(N2CCC[NH2+]CC2)c1 ZINC000043461664 183365129 /nfs/dbraw/zinc/36/51/29/183365129.db2.gz XKZYQZRIZJRUKJ-UHFFFAOYSA-N 1 0 312.435 1.218 10 0 DDAERO CC(C)CN(CCC[NH3+])S(=O)(=O)c1ccc(F)c(F)c1 ZINC000043417000 183361260 /nfs/dbraw/zinc/36/12/60/183361260.db2.gz CMVIFDDOWKXJHZ-UHFFFAOYSA-N 1 0 306.378 1.960 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000043426941 183361915 /nfs/dbraw/zinc/36/19/15/183361915.db2.gz PBDNRLLOBGXFJG-GJZGRUSLSA-N 1 0 310.419 1.477 10 0 DDAERO Cc1cccc(OC[C@H](C)NC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000104791311 194039954 /nfs/dbraw/zinc/03/99/54/194039954.db2.gz GEXFORBTOZXYOS-GOEBONIOSA-N 1 0 321.421 1.392 10 0 DDAERO CC(C)OC(=O)c1cccnc1N1CCO[C@H](C[NH+](C)C)C1 ZINC000273890521 211147981 /nfs/dbraw/zinc/14/79/81/211147981.db2.gz SYTAEUMUPXFIGD-CYBMUJFWSA-N 1 0 307.394 1.414 10 0 DDAERO CCCCCNC(=O)[C@@H](C)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000105836713 194142790 /nfs/dbraw/zinc/14/27/90/194142790.db2.gz NBOUGNIEHYNZJP-HZPDHXFCSA-N 1 0 313.486 1.724 10 0 DDAERO CC[C@H]1CN(CC(=O)Nc2ccccc2F)CC[N@@H+]1CCOC ZINC000105836197 194142884 /nfs/dbraw/zinc/14/28/84/194142884.db2.gz MBHKTBWLNQDMJB-AWEZNQCLSA-N 1 0 323.412 1.807 10 0 DDAERO CC[C@H]1CN(Cc2noc(C(C)(C)C)n2)CC[N@@H+]1CCOC ZINC000105836959 194144773 /nfs/dbraw/zinc/14/47/73/194144773.db2.gz ZHIRPRMQFLRSDR-ZDUSSCGKSA-N 1 0 310.442 1.910 10 0 DDAERO CC[C@H]([NH2+]C[C@@H](c1cccs1)N1CCO[C@H](C)C1)C(N)=O ZINC000105874968 194152784 /nfs/dbraw/zinc/15/27/84/194152784.db2.gz CPSKAOINQFGTTG-AGIUHOORSA-N 1 0 311.451 1.363 10 0 DDAERO O[C@@H](COCc1cccs1)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000105904231 194166419 /nfs/dbraw/zinc/16/64/19/194166419.db2.gz SENGWJYRNUMNLH-UONOGXRCSA-N 1 0 322.434 1.554 10 0 DDAERO Cc1cccc(C)c1OC[C@@H](O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000105904647 194166439 /nfs/dbraw/zinc/16/64/39/194166439.db2.gz LHGZNRBVWMOZOZ-DLBZAZTESA-N 1 0 322.449 1.306 10 0 DDAERO Cc1ccc(OC[C@H](O)CN2CCO[C@H](C[NH+](C)C)C2)c(C)c1 ZINC000105904613 194166681 /nfs/dbraw/zinc/16/66/81/194166681.db2.gz YSXJLLUIUJSFCG-IAGOWNOFSA-N 1 0 322.449 1.306 10 0 DDAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)Nc1ccc(F)c(F)c1 ZINC000105932580 194173416 /nfs/dbraw/zinc/17/34/16/194173416.db2.gz WTMISXDVWHIUPJ-CMPLNLGQSA-N 1 0 313.348 1.212 10 0 DDAERO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CN(C3CC3)CCO2)o1 ZINC000106379951 194205057 /nfs/dbraw/zinc/20/50/57/194205057.db2.gz ZGVYCAOUHNDWSC-HNNXBMFYSA-N 1 0 316.405 1.931 10 0 DDAERO CCN(C[C@@H]1CCCO1)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000048966162 183699897 /nfs/dbraw/zinc/69/98/97/183699897.db2.gz GDJGNQPVKRFMFY-HNNXBMFYSA-N 1 0 312.435 1.476 10 0 DDAERO [NH3+]CCCCNC(=O)c1cc(Br)cnc1Cl ZINC000050045622 183769657 /nfs/dbraw/zinc/76/96/57/183769657.db2.gz MPVOJNDSQKEKSS-UHFFFAOYSA-N 1 0 306.591 1.966 10 0 DDAERO O=C1C[C@@H]([NH2+]CCc2nccs2)C(=O)N1c1ccccc1 ZINC000109176196 194256573 /nfs/dbraw/zinc/25/65/73/194256573.db2.gz WSGFFXIISOOPHG-GFCCVEGCSA-N 1 0 301.371 1.607 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000109471456 194266506 /nfs/dbraw/zinc/26/65/06/194266506.db2.gz YVOPPYRPAACWHS-LLVKDONJSA-N 1 0 321.475 1.878 10 0 DDAERO CC[C@@H](C[NH3+])N1CCN(S(=O)(=O)c2cccc(C)c2)CC1 ZINC000109450948 194265065 /nfs/dbraw/zinc/26/50/65/194265065.db2.gz QCAMZYQYWAIYOY-AWEZNQCLSA-N 1 0 311.451 1.039 10 0 DDAERO Cc1cc(C(=O)N2CC[NH+](C(C)(C)C(N)=S)CC2)c(C)o1 ZINC000109465372 194266039 /nfs/dbraw/zinc/26/60/39/194266039.db2.gz OCAWCKAFGDOQTL-UHFFFAOYSA-N 1 0 309.435 1.719 10 0 DDAERO CC[C@@H](C(N)=S)[NH+]1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000109460724 194266180 /nfs/dbraw/zinc/26/61/80/194266180.db2.gz FHRKPJKLPVFPPQ-ZDUSSCGKSA-N 1 0 307.419 1.215 10 0 DDAERO CS(=O)(=O)c1ccc(NC(=O)CC[C@@H]2CCCC[NH2+]2)cn1 ZINC000050943630 183808431 /nfs/dbraw/zinc/80/84/31/183808431.db2.gz RPUPGFPHIIYBJJ-NSHDSACASA-N 1 0 311.407 1.346 10 0 DDAERO C[NH2+][C@H](COC)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000109521055 194270939 /nfs/dbraw/zinc/27/09/39/194270939.db2.gz ZNPRPTZQYMUYGY-QMMMGPOBSA-N 1 0 301.268 1.931 10 0 DDAERO C[C@@H]1C(=O)NCCN1[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000110655179 194346640 /nfs/dbraw/zinc/34/66/40/194346640.db2.gz MSQUUHGUWBOFOT-SFYZADRCSA-N 1 0 318.240 1.331 10 0 DDAERO CCOC(=O)c1cc(C)sc1NC(=O)CN1CC[NH2+]CC1 ZINC000110777808 194358225 /nfs/dbraw/zinc/35/82/25/194358225.db2.gz ILLFDLOGNCYKMG-UHFFFAOYSA-N 1 0 311.407 1.077 10 0 DDAERO CC(C)[NH2+]CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000054266918 183932414 /nfs/dbraw/zinc/93/24/14/183932414.db2.gz OVYRDUCUWBRXON-UHFFFAOYSA-N 1 0 314.407 1.124 10 0 DDAERO CC[NH2+][C@@](CSc1ccncn1)(C(N)=O)c1ccccc1 ZINC000111115361 194391929 /nfs/dbraw/zinc/39/19/29/194391929.db2.gz CXAPIAVJHSKBCT-OAHLLOKOSA-N 1 0 302.403 1.559 10 0 DDAERO CCOCCN(CC)S(=O)(=O)Cc1ccccc1C[NH3+] ZINC000111121530 194392363 /nfs/dbraw/zinc/39/23/63/194392363.db2.gz ITJRIHBRPFVBKM-UHFFFAOYSA-N 1 0 300.424 1.334 10 0 DDAERO CN(C[C@H]1CCCOC1)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000111167045 194397235 /nfs/dbraw/zinc/39/72/35/194397235.db2.gz YLXLFJSYOOCICL-OAHLLOKOSA-N 1 0 312.435 1.334 10 0 DDAERO CCOC(=O)[C@@H](CC[N@H+](C)C[C@@H]1CCCOC1)NC(C)C ZINC000111169819 194398608 /nfs/dbraw/zinc/39/86/08/194398608.db2.gz KBEWMVIJMUFJAD-LSDHHAIUSA-N 1 0 300.443 1.665 10 0 DDAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)Nc1cc(F)c(F)cc1F ZINC000061094749 184162128 /nfs/dbraw/zinc/16/21/28/184162128.db2.gz ZBAKWYJDFAGLTL-QMMMGPOBSA-N 1 0 308.325 1.988 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)Nc1nc(Cl)nc(N(C)C)n1 ZINC000061539517 184173365 /nfs/dbraw/zinc/17/33/65/184173365.db2.gz LLDVDHHJYYDDJZ-SNVBAGLBSA-N 1 0 300.838 1.979 10 0 DDAERO C[NH+](C)CC(C)(C)CNC(=O)[C@H](C(N)=S)c1ccccc1 ZINC000061615723 184178490 /nfs/dbraw/zinc/17/84/90/184178490.db2.gz DHCBFMUXVYVXDJ-ZDUSSCGKSA-N 1 0 307.463 1.760 10 0 DDAERO NC(=S)[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000061616671 184178617 /nfs/dbraw/zinc/17/86/17/184178617.db2.gz KYTPZPVTFLQMRA-OCCSQVGLSA-N 1 0 303.431 1.409 10 0 DDAERO CN(C(=O)[C@H](C(N)=S)c1ccccc1)[C@@H]1CCC[N@H+](C)C1 ZINC000061616834 184179039 /nfs/dbraw/zinc/17/90/39/184179039.db2.gz VLTLCSPASWQTCW-KGLIPLIRSA-N 1 0 305.447 1.609 10 0 DDAERO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1c(F)cc(N)cc1F ZINC000061642649 184180503 /nfs/dbraw/zinc/18/05/03/184180503.db2.gz MGLUIEIZCZKLNP-JTQLQIEISA-N 1 0 319.377 1.262 10 0 DDAERO NC(=S)c1ccc(NC(=O)CC[N@@H+]2CCCOCC2)cc1 ZINC000061918552 184195199 /nfs/dbraw/zinc/19/51/99/184195199.db2.gz KNSGNLZHGJEHEH-UHFFFAOYSA-N 1 0 307.419 1.372 10 0 DDAERO NS(=O)(=O)c1ccc(Cl)c(N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000061982743 184199790 /nfs/dbraw/zinc/19/97/90/184199790.db2.gz RQMJCTNXQKVBPJ-SECBINFHSA-N 1 0 315.826 1.636 10 0 DDAERO CCNS(=O)(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000062212224 184221480 /nfs/dbraw/zinc/22/14/80/184221480.db2.gz AGBTZRKIWOOJGZ-HNNXBMFYSA-N 1 0 311.451 1.658 10 0 DDAERO CCC[NH2+][C@@H](CCn1nc(C)c(Br)c1C)C(N)=O ZINC000062538374 184241839 /nfs/dbraw/zinc/24/18/39/184241839.db2.gz QEKIULLRWBERLE-JTQLQIEISA-N 1 0 317.231 1.506 10 0 DDAERO COc1ccc(CC(=O)NOCC[NH+]2CCCC2)cc1OC ZINC000062578331 184244163 /nfs/dbraw/zinc/24/41/63/184244163.db2.gz RUSGNESETFBXGI-UHFFFAOYSA-N 1 0 308.378 1.390 10 0 DDAERO C[C@H]([NH3+])c1cccc(S(=O)(=O)N(C)Cc2nccn2C)c1 ZINC000062324783 184230291 /nfs/dbraw/zinc/23/02/91/184230291.db2.gz BIAVDKNDTLOZTP-NSHDSACASA-N 1 0 308.407 1.261 10 0 DDAERO C[C@@H]([NH3+])c1ccc(S(=O)(=O)N(C)Cc2nccn2C)cc1 ZINC000062324793 184230585 /nfs/dbraw/zinc/23/05/85/184230585.db2.gz BTAYOUJJEOYNMB-LLVKDONJSA-N 1 0 308.407 1.261 10 0 DDAERO COCC[NH2+]Cc1ccccc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC000062736360 184251389 /nfs/dbraw/zinc/25/13/89/184251389.db2.gz ISAUGWNVBUDPOZ-AWEZNQCLSA-N 1 0 312.435 1.046 10 0 DDAERO CC[C@@]1(C(=O)Nc2cc(S(C)(=O)=O)ccc2C)CC[NH2+]C1 ZINC000062892221 184258364 /nfs/dbraw/zinc/25/83/64/184258364.db2.gz YZHJYZNXISQRRO-OAHLLOKOSA-N 1 0 310.419 1.727 10 0 DDAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2N)C1 ZINC000062965415 184262900 /nfs/dbraw/zinc/26/29/00/184262900.db2.gz NURHBGGCOVAARH-SNVBAGLBSA-N 1 0 303.815 1.247 10 0 DDAERO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1N ZINC000062975729 184264331 /nfs/dbraw/zinc/26/43/31/184264331.db2.gz AMDIBNWXVXUWGH-ZDUSSCGKSA-N 1 0 309.435 1.436 10 0 DDAERO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(F)c(NN)c(F)c1 ZINC000063007794 184266172 /nfs/dbraw/zinc/26/61/72/184266172.db2.gz GXLCFBJURDYYFH-VIFPVBQESA-N 1 0 300.353 1.711 10 0 DDAERO CCC(CC)[N@H+](CCO)Cc1nc2c(cnn2C)c(Cl)n1 ZINC000063077470 184269026 /nfs/dbraw/zinc/26/90/26/184269026.db2.gz ZXCDCIUFOKCWPE-UHFFFAOYSA-N 1 0 311.817 2.000 10 0 DDAERO CN(Cc1nc2c(cnn2C)c(Cl)n1)C1CC[NH+](C)CC1 ZINC000063077226 184269058 /nfs/dbraw/zinc/26/90/58/184269058.db2.gz BVHFGXIYNMQBBB-UHFFFAOYSA-N 1 0 308.817 1.543 10 0 DDAERO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccnc(Cl)c1 ZINC000063121953 184271842 /nfs/dbraw/zinc/27/18/42/184271842.db2.gz KXBCRBXCBWRRRI-UHFFFAOYSA-N 1 0 317.842 1.697 10 0 DDAERO CC(C)[NH2+]C[C@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 ZINC000063138662 184273381 /nfs/dbraw/zinc/27/33/81/184273381.db2.gz APVLZMQBFQGKIC-OAHLLOKOSA-N 1 0 317.499 1.817 10 0 DDAERO Cc1ccccc1N(CCC[NH3+])S(=O)(=O)C[C@H]1CCCO1 ZINC000063154837 184274418 /nfs/dbraw/zinc/27/44/18/184274418.db2.gz PTQOZTYMYCZFCX-CQSZACIVSA-N 1 0 312.435 1.659 10 0 DDAERO O=c1cc2c(nn1Cc1ccc(Br)cc1)CC[NH2+]C2 ZINC000063169783 184275703 /nfs/dbraw/zinc/27/57/03/184275703.db2.gz BLQCOTKJWRSOKM-UHFFFAOYSA-N 1 0 320.190 1.700 10 0 DDAERO [NH3+]CCCN1CCN(C(=O)CCc2ccccc2Cl)CC1 ZINC000066143037 184393172 /nfs/dbraw/zinc/39/31/72/184393172.db2.gz BHTQMUKZKGJYPZ-UHFFFAOYSA-N 1 0 309.841 1.766 10 0 DDAERO C[NH2+][C@H](C)C[C@@H](C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000068646661 184495784 /nfs/dbraw/zinc/49/57/84/184495784.db2.gz AQQXTHDUNBZHPZ-GHMZBOCLSA-N 1 0 319.448 1.250 10 0 DDAERO CC(=O)c1cccc(NC(=O)CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000113270597 194576482 /nfs/dbraw/zinc/57/64/82/194576482.db2.gz JEVRFGKLZGADIW-SUMWQHHRSA-N 1 0 315.417 1.996 10 0 DDAERO COCOc1ccc(OC)cc1CN1CCO[C@H](C[NH+](C)C)C1 ZINC000156647600 197130366 /nfs/dbraw/zinc/13/03/66/197130366.db2.gz BCLMYQBFOOXCGI-MRXNPFEDSA-N 1 0 324.421 1.440 10 0 DDAERO COc1cccc(OC)c1CC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000120752566 195229838 /nfs/dbraw/zinc/22/98/38/195229838.db2.gz NEJYVKUESSEIIC-CYBMUJFWSA-N 1 0 322.405 1.035 10 0 DDAERO COCC[N@@H+]1CCN(Cc2ccc(OC)cc2OC)C[C@H]1C ZINC000120774435 195235478 /nfs/dbraw/zinc/23/54/78/195235478.db2.gz CCHMTRWKOSAIJP-CQSZACIVSA-N 1 0 308.422 1.856 10 0 DDAERO Cn1nccc1C(=O)N1CC[C@@]2(C1)C[C@@H]([NH+]1CCCC1)CCO2 ZINC000248049088 257110911 /nfs/dbraw/zinc/11/09/11/257110911.db2.gz QOLMMWKXGPTZRE-YOEHRIQHSA-N 1 0 318.421 1.280 10 0 DDAERO Cc1ccc(N2CCO[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]32)nn1 ZINC000247946245 257114524 /nfs/dbraw/zinc/11/45/24/257114524.db2.gz WMYUXYLCJAUJSS-LSDHHAIUSA-N 1 0 316.430 1.936 10 0 DDAERO O=C([C@@H]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2O1)N1CCCO1 ZINC000247801668 257117348 /nfs/dbraw/zinc/11/73/48/257117348.db2.gz WEVHXLWOVBMADS-IKGGRYGDSA-N 1 0 316.401 1.830 10 0 DDAERO O=C(C[C@@H]1C[C@@H]2C[N@@H+](C3CCOCC3)C[C@@H]2O1)N1CCCCO1 ZINC000247803891 257118060 /nfs/dbraw/zinc/11/80/60/257118060.db2.gz XMPJFZLELZVHCY-KBMXLJTQSA-N 1 0 324.421 1.199 10 0 DDAERO c1cnc(N2C[C@@H]3CCN(CC[NH+]4CCCC4)C[C@@H]3C2)nc1 ZINC000253596208 257105609 /nfs/dbraw/zinc/10/56/09/257105609.db2.gz OMEFJZXYQCKNDE-JKSUJKDBSA-N 1 0 301.438 1.331 10 0 DDAERO c1ccc(O[C@@H]2CN(CC[NH+]3CCCC3)[C@H]3CCCO[C@@H]23)nc1 ZINC000253596177 257105775 /nfs/dbraw/zinc/10/57/75/257105775.db2.gz OCPJLWFRNASXQD-LZLYRXPVSA-N 1 0 317.433 1.788 10 0 DDAERO C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2)N1CCOCC1 ZINC000123394129 195576642 /nfs/dbraw/zinc/57/66/42/195576642.db2.gz OTETZJWKHLCXHO-KGLIPLIRSA-N 1 0 306.406 1.829 10 0 DDAERO O=S(=O)(c1ccccc1N1CC[C@@H]2C[NH2+]C[C@H]2C1)C(F)F ZINC000261688807 296472221 /nfs/dbraw/zinc/47/22/21/296472221.db2.gz NENKZPMTCGXXBT-MNOVXSKESA-N 1 0 316.373 1.729 10 0 DDAERO c1nn(-c2ccccc2)c2ncnc(NC[C@@H]3C[NH2+]CCO3)c12 ZINC000261661092 407571237 /nfs/dbraw/zinc/57/12/37/407571237.db2.gz GGIVASBZDFDLNB-ZDUSSCGKSA-N 1 0 310.361 1.216 10 0 DDAERO C[C@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1CCCO1 ZINC000068414042 406640507 /nfs/dbraw/zinc/64/05/07/406640507.db2.gz XWESJRMQUXNUBW-ZFWWWQNUSA-N 1 0 318.421 1.131 10 0 DDAERO CC[NH+](CC)CCNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000076938415 406975382 /nfs/dbraw/zinc/97/53/82/406975382.db2.gz KJBLIOJVSKOLHR-CYBMUJFWSA-N 1 0 313.442 1.701 10 0 DDAERO CCCC(=O)OC[C@H](O)C[N@H+](CCOC)Cc1ccc(C)o1 ZINC000036097589 406976159 /nfs/dbraw/zinc/97/61/59/406976159.db2.gz NHUZTUKGFNCMJP-CQSZACIVSA-N 1 0 313.394 1.741 10 0 DDAERO C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000075873416 406944256 /nfs/dbraw/zinc/94/42/56/406944256.db2.gz FYRUTZQUONLIGJ-CYBMUJFWSA-N 1 0 318.421 1.749 10 0 DDAERO C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000076098790 406954720 /nfs/dbraw/zinc/95/47/20/406954720.db2.gz WKTPBQQKALMWJX-RISCZKNCSA-N 1 0 305.378 1.090 10 0 DDAERO c1cnc(N2CC[NH2+]CC2)c(-c2nc(-c3ccncc3)no2)c1 ZINC000040351927 407002608 /nfs/dbraw/zinc/00/26/08/407002608.db2.gz ZWHWKUFFIIBFPQ-UHFFFAOYSA-N 1 0 308.345 1.603 10 0 DDAERO C[C@@H](NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000049189368 407116663 /nfs/dbraw/zinc/11/66/63/407116663.db2.gz BDWIZKFEELYHAW-GDBMZVCRSA-N 1 0 305.422 1.894 10 0 DDAERO C[C@H](NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1cccnc1 ZINC000049173134 407117010 /nfs/dbraw/zinc/11/70/10/407117010.db2.gz RCFWJWNVIDORNG-DZGCQCFKSA-N 1 0 306.410 1.289 10 0 DDAERO CC(C)CC(=O)N[C@@H](C(=O)NC1CC[NH+](C2CC2)CC1)C(C)C ZINC000051284332 407139022 /nfs/dbraw/zinc/13/90/22/407139022.db2.gz AGYHCKZIHHEUIE-QGZVFWFLSA-N 1 0 323.481 1.916 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)NC2CCN(C(=O)C(C)C)CC2)C1 ZINC000052523458 407151102 /nfs/dbraw/zinc/15/11/02/407151102.db2.gz GMBJSPYKIMAGIU-HNNXBMFYSA-N 1 0 324.469 1.417 10 0 DDAERO COC(=O)c1cc2n(n1)CC[N@H+](C[C@H]1CCOC(C)(C)C1)C2 ZINC000065455444 407243883 /nfs/dbraw/zinc/24/38/83/407243883.db2.gz UZITYKJRXKHKGH-LBPRGKRZSA-N 1 0 307.394 1.691 10 0 DDAERO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COC1CCOCC1 ZINC000122870040 407313180 /nfs/dbraw/zinc/31/31/80/407313180.db2.gz VYBBVFVAWFZELN-CVEARBPZSA-N 1 0 323.437 1.212 10 0 DDAERO CCCNC(=O)[C@@H](C)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863293 407356502 /nfs/dbraw/zinc/35/65/02/407356502.db2.gz XSRJJMPMOUKFKY-OAHLLOKOSA-N 1 0 321.469 1.194 10 0 DDAERO CCOC(=O)CSc1cncc(N2CC[C@@H]([NH+](C)C)C2)n1 ZINC000124219791 407351649 /nfs/dbraw/zinc/35/16/49/407351649.db2.gz OKEHJSRKUWKLCG-LLVKDONJSA-N 1 0 310.423 1.272 10 0 DDAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)Nc1ccc(F)cc1F ZINC000105932561 407358370 /nfs/dbraw/zinc/35/83/70/407358370.db2.gz GDIDPAASQTVHBW-CMPLNLGQSA-N 1 0 313.348 1.212 10 0 DDAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCN(C2CC2)CC1 ZINC000106912091 407366693 /nfs/dbraw/zinc/36/66/93/407366693.db2.gz ZNZDYHAPDNBCOI-KRWDZBQOSA-N 1 0 301.434 1.466 10 0 DDAERO COC(=O)CSCCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106918277 407367461 /nfs/dbraw/zinc/36/74/61/407367461.db2.gz HEXFJEMQRPDRKD-AWEZNQCLSA-N 1 0 324.446 1.182 10 0 DDAERO C[C@H]1CCCCN1C(=O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105920144 407357741 /nfs/dbraw/zinc/35/77/41/407357741.db2.gz 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CC[N@@H+]1CCC[C@@H](NC(=O)COCCOc2ccccc2)C1 ZINC000194659910 408789406 /nfs/dbraw/zinc/78/94/06/408789406.db2.gz RVZJTQQIQNMSSL-OAHLLOKOSA-N 1 0 306.406 1.683 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2SCC(N)=O)C1 ZINC000194651291 408789420 /nfs/dbraw/zinc/78/94/20/408789420.db2.gz XBGNXGQQNMEQLY-GFCCVEGCSA-N 1 0 321.446 1.478 10 0 DDAERO C[C@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1ccc(S(C)(=O)=O)cc1 ZINC000164427782 408796922 /nfs/dbraw/zinc/79/69/22/408796922.db2.gz LJPRGIRULHXZCF-QWRGUYRKSA-N 1 0 310.419 1.123 10 0 DDAERO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@H]1CNC(=O)C1 ZINC000194884034 408803916 /nfs/dbraw/zinc/80/39/16/408803916.db2.gz QCUPXXRPYQRXQK-MRXNPFEDSA-N 1 0 317.433 1.493 10 0 DDAERO COc1ccc(/C=C/C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1O ZINC000185454621 408810336 /nfs/dbraw/zinc/81/03/36/408810336.db2.gz DBJLTSZRGWKWER-DYLGSBMWSA-N 1 0 302.374 1.721 10 0 DDAERO O[C@H](Cn1cccn1)C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000178045153 408764134 /nfs/dbraw/zinc/76/41/34/408764134.db2.gz DHGZRKCFQWWQCE-SJORKVTESA-N 1 0 300.406 1.821 10 0 DDAERO O=C(Cn1cc(-c2ccccc2)nn1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000178061308 408767341 /nfs/dbraw/zinc/76/73/41/408767341.db2.gz HRBKEBGYEHFNTM-HNNXBMFYSA-N 1 0 311.389 1.252 10 0 DDAERO C[C@@H](CNC(=O)N1CC(NC(=O)C2CCC2)C1)C[NH+]1CCCC1 ZINC000188812890 163072011 /nfs/dbraw/zinc/07/20/11/163072011.db2.gz SGAGMDDDBJRKGP-ZDUSSCGKSA-N 1 0 322.453 1.028 10 0 DDAERO OC[C@H]1C[N@H+](C[C@@H](O)COCc2ccccc2)CCC1(F)F ZINC000291737218 408915622 /nfs/dbraw/zinc/91/56/22/408915622.db2.gz JUVXOOLHXKPCOV-HUUCEWRRSA-N 1 0 315.360 1.514 10 0 DDAERO Cc1ccccc1NC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000190083864 163129930 /nfs/dbraw/zinc/12/99/30/163129930.db2.gz OFNATTWNODODQS-KBPBESRZSA-N 1 0 301.390 1.629 10 0 DDAERO CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000190207205 163132575 /nfs/dbraw/zinc/13/25/75/163132575.db2.gz CNNNNOWYDQAMRO-CQSZACIVSA-N 1 0 322.457 1.876 10 0 DDAERO CCc1nnc(C2CC[NH+](C[C@@H](O)COC(C)(C)C)CC2)[nH]1 ZINC000190652481 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ZINC000248384176 698372409 /nfs/dbraw/zinc/37/24/09/698372409.db2.gz CZBVMCXNYKTXFY-VIFPVBQESA-N 1 0 303.382 1.626 10 0 DDAERO COc1nc(N2CCC[C@@H]([C@H](C)[NH3+])C2)ncc1Br ZINC000261591292 698428366 /nfs/dbraw/zinc/42/83/66/698428366.db2.gz XNQILOAUEPFKQL-DTWKUNHWSA-N 1 0 315.215 1.811 10 0 DDAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1cc(C)cc(Br)c1 ZINC000261683030 698432621 /nfs/dbraw/zinc/43/26/21/698432621.db2.gz HUIPZGKPFZIJIG-VIFPVBQESA-N 1 0 321.240 1.644 10 0 DDAERO O=C(NC[C@H](O)c1cccc(Cl)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000261945492 698446530 /nfs/dbraw/zinc/44/65/30/698446530.db2.gz OKFCYBMZUFWSGF-KGLIPLIRSA-N 1 0 308.809 1.879 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(SC(F)F)cc1 ZINC000262365970 698466714 /nfs/dbraw/zinc/46/67/14/698466714.db2.gz VRTODCFKNVBTEO-KOLCDFICSA-N 1 0 302.346 1.311 10 0 DDAERO COC[C@@]1(C(=O)N[C@@H](C)c2cc(C)ccc2OC)CC[NH2+]C1 ZINC000262555257 698475016 /nfs/dbraw/zinc/47/50/16/698475016.db2.gz UBNDTLHUYBLUFT-SUMWQHHRSA-N 1 0 306.406 1.807 10 0 DDAERO CC[N@@H+]1CC[C@H](Nc2ncc(I)cn2)C1 ZINC000307090428 698660513 /nfs/dbraw/zinc/66/05/13/698660513.db2.gz WKOXZUXPNIFSBZ-VIFPVBQESA-N 1 0 318.162 1.587 10 0 DDAERO COC(=O)[C@H]1C[N@H+](CC(=O)N(C)Cc2ccccc2)C[C@@H]1C ZINC000309567037 698665032 /nfs/dbraw/zinc/66/50/32/698665032.db2.gz GQJNMHPQLUEUHA-ZFWWWQNUSA-N 1 0 304.390 1.386 10 0 DDAERO CCn1cncc1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702766545 699232228 /nfs/dbraw/zinc/23/22/28/699232228.db2.gz OHSMMVXBPJVNMW-OCCSQVGLSA-N 1 0 324.425 1.220 10 0 DDAERO C[C@H]([NH2+]C[C@](C)(O)C(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000704990903 699238637 /nfs/dbraw/zinc/23/86/37/699238637.db2.gz KBUBIWRKDRUVGQ-ZANVPECISA-N 1 0 307.362 1.757 10 0 DDAERO CSC1(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1 ZINC000705673017 699241395 /nfs/dbraw/zinc/24/13/95/699241395.db2.gz NWDMEHCEESHWHO-NEPJUHHUSA-N 1 0 316.467 1.699 10 0 DDAERO CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CO1 ZINC000705763745 699241859 /nfs/dbraw/zinc/24/18/59/699241859.db2.gz ANGXEVMJCFBUMD-XJFOESAGSA-N 1 0 314.426 1.371 10 0 DDAERO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H]2CCOC[C@@H]2O)CC1 ZINC000706724037 699244098 /nfs/dbraw/zinc/24/40/98/699244098.db2.gz KTHLYQJTXQLIQX-KGLIPLIRSA-N 1 0 314.426 1.373 10 0 DDAERO [NH3+]C[C@@H]1C[C@@H](C(=O)NCc2ccc(Br)cc2)CO1 ZINC000713798376 699267029 /nfs/dbraw/zinc/26/70/29/699267029.db2.gz XLYODGDJANCXNK-PWSUYJOCSA-N 1 0 313.195 1.429 10 0 DDAERO C[C@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1cn(C)nn1 ZINC000715923822 699278189 /nfs/dbraw/zinc/27/81/89/699278189.db2.gz SSYVPWGQPMCQTG-UNXYVOJBSA-N 1 0 309.414 1.769 10 0 DDAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716697075 699283273 /nfs/dbraw/zinc/28/32/73/699283273.db2.gz FNAWPNATOTUWKN-YWPUVAFDSA-N 1 0 311.426 1.533 10 0 DDAERO COc1nc(N[C@@H]2C[NH2+]CC2(C)C)ncc1Br ZINC000721864229 699315426 /nfs/dbraw/zinc/31/54/26/699315426.db2.gz WBHSBYSVAPLSFF-MRVPVSSYSA-N 1 0 301.188 1.658 10 0 DDAERO Cn1ccc(C[N@@H+]2CCC[C@@](O)(Cc3nc(C4CC4)no3)C2)c1 ZINC000818189753 702602021 /nfs/dbraw/zinc/60/20/21/702602021.db2.gz WDKUWTXYZIYKHI-QGZVFWFLSA-N 1 0 316.405 1.855 10 0 DDAERO CC(=O)N1C[C@@H]([NH2+]CC2=CCCOC2)CC[C@H]1C(F)(F)F ZINC000886072061 708692762 /nfs/dbraw/zinc/69/27/62/708692762.db2.gz MRGYVJLWIHNDJY-STQMWFEESA-N 1 0 306.328 1.865 10 0 DDAERO C[C@@H](c1ccc(F)nc1)[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000930425020 713832142 /nfs/dbraw/zinc/83/21/42/713832142.db2.gz IFTXCYAYOVNGHK-SUMWQHHRSA-N 1 0 321.396 1.731 10 0 DDAERO CO[C@@H]1CCC[C@H]1[C@H]1COCCN1C(=O)CC[NH2+]C(C)(C)C ZINC000935899429 715136532 /nfs/dbraw/zinc/13/65/32/715136532.db2.gz ALUNVWACMDQHJP-RRFJBIMHSA-N 1 0 312.454 1.807 10 0 DDAERO C[NH+]1CCN(c2ccc(NC(=O)N[C@H]3CCCO3)cc2)CC1 ZINC000074754006 185015999 /nfs/dbraw/zinc/01/59/99/185015999.db2.gz DKJBADSZNHDQHX-OAHLLOKOSA-N 1 0 304.394 1.696 10 0 DDAERO Cc1cc2ncc([C@H](C)[NH2+][C@H](C)CS(C)(=O)=O)c(C)n2n1 ZINC000081902686 192336330 /nfs/dbraw/zinc/33/63/30/192336330.db2.gz RVQJDVLWRJAHMF-MNOVXSKESA-N 1 0 310.423 1.430 10 0 DDAERO CC(C)[C@H](CC[NH3+])CCC(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000079279025 185163159 /nfs/dbraw/zinc/16/31/59/185163159.db2.gz RIJZMYVAVOKCIU-QWHCGFSZSA-N 1 0 304.456 1.081 10 0 DDAERO CC(C)[C@@H]1C[N@H+](CCc2ccccn2)C[C@H]1NS(C)(=O)=O ZINC000082161372 185174093 /nfs/dbraw/zinc/17/40/93/185174093.db2.gz NMEPOGUMZGPBBJ-LSDHHAIUSA-N 1 0 311.451 1.130 10 0 DDAERO CS(=O)(=O)C[C@@H](O)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000087376511 185223178 /nfs/dbraw/zinc/22/31/78/185223178.db2.gz FNPHLMLJKPFCFG-GZMMTYOYSA-N 1 0 312.218 1.441 10 0 DDAERO CCC[C@H](C[NH3+])C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000087519485 185227436 /nfs/dbraw/zinc/22/74/36/185227436.db2.gz LXGVSCUCNZLJTD-LLVKDONJSA-N 1 0 313.423 1.250 10 0 DDAERO Cc1c(NC(=O)C(C)(C)C(C)(C)[NH3+])cccc1S(N)(=O)=O ZINC000087627860 185229652 /nfs/dbraw/zinc/22/96/52/185229652.db2.gz MBBVZRHLZNECDP-UHFFFAOYSA-N 1 0 313.423 1.344 10 0 DDAERO Cc1nnc(SCC(=O)N[C@@H](C)c2ccco2)n1CC[NH3+] ZINC000087711472 185230865 /nfs/dbraw/zinc/23/08/65/185230865.db2.gz SJQPNUDBZNHIII-VIFPVBQESA-N 1 0 309.395 1.108 10 0 DDAERO COc1ccc(Br)c(C[NH2+]CCCC(N)=O)c1 ZINC000087787582 185231676 /nfs/dbraw/zinc/23/16/76/185231676.db2.gz WSSAGLCKDBITSJ-UHFFFAOYSA-N 1 0 301.184 1.813 10 0 DDAERO C[NH2+]Cc1ccc(Br)cc1N1CCCNC(=O)C1 ZINC000087885075 185234532 /nfs/dbraw/zinc/23/45/32/185234532.db2.gz DTKMMQSGADOEGH-UHFFFAOYSA-N 1 0 312.211 1.495 10 0 DDAERO CCC[NH2+][C@H]1CCC(C)(C)C[C@@H]1S(=O)(=O)CC(=O)OCC ZINC000081977427 192347593 /nfs/dbraw/zinc/34/75/93/192347593.db2.gz INHOYPNXQUKNMQ-STQMWFEESA-N 1 0 319.467 1.911 10 0 DDAERO CCOC(=O)CS(=O)(=O)C[C@H]([NH3+])c1c(C)cc(C)cc1C ZINC000081976937 192347733 /nfs/dbraw/zinc/34/77/33/192347733.db2.gz YCESKAVUSLKEHA-ZDUSSCGKSA-N 1 0 313.419 1.590 10 0 DDAERO COc1cc(Br)c([C@@H](C[NH3+])NCCO)cc1OC ZINC000087903480 185237454 /nfs/dbraw/zinc/23/74/54/185237454.db2.gz YWENAWXPZGBXEO-SNVBAGLBSA-N 1 0 319.199 1.048 10 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10 0 DDAERO COCC[N@H+](CCOc1ccccc1OC)CCC(N)=S ZINC000088402033 185248657 /nfs/dbraw/zinc/24/86/57/185248657.db2.gz HBARGTRDFUKTAM-UHFFFAOYSA-N 1 0 312.435 1.699 10 0 DDAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000088543480 185256833 /nfs/dbraw/zinc/25/68/33/185256833.db2.gz DHBCKRKJPNDCBX-TXEJJXNPSA-N 1 0 316.423 1.576 10 0 DDAERO C[NH2+][C@H](Cc1ccc2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 ZINC000088519249 185254741 /nfs/dbraw/zinc/25/47/41/185254741.db2.gz XIJIKDZKYBCIEV-CZUORRHYSA-N 1 0 304.415 1.800 10 0 DDAERO CCOCCNS(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000088541810 185255840 /nfs/dbraw/zinc/25/58/40/185255840.db2.gz UQENVOYUUMPYAI-UHFFFAOYSA-N 1 0 304.412 1.483 10 0 DDAERO CNS(=O)(=O)c1ccc(CNCCC[NH+]2CCCCC2)o1 ZINC000088539939 185255927 /nfs/dbraw/zinc/25/59/27/185255927.db2.gz BIGUCXDALUNPKR-UHFFFAOYSA-N 1 0 315.439 1.153 10 0 DDAERO CC(C)[N@H+](C)CCCCNS(=O)(=O)c1ccc(C=O)o1 ZINC000088541248 185255955 /nfs/dbraw/zinc/25/59/55/185255955.db2.gz XAFHYVGQEGTDQW-UHFFFAOYSA-N 1 0 302.396 1.491 10 0 DDAERO CC(C)(C)[C@H](CC[NH3+])CCC(=O)N[C@H]1C=CS(=O)(=O)C1 ZINC000088856159 185267087 /nfs/dbraw/zinc/26/70/87/185267087.db2.gz RKDVEGYREUMYTD-RYUDHWBXSA-N 1 0 302.440 1.205 10 0 DDAERO Cc1ccccc1S(=O)(=O)N[C@@H](C(N)=[NH2+])c1ccccc1 ZINC000088716938 185263019 /nfs/dbraw/zinc/26/30/19/185263019.db2.gz LCSTWLOJADIVSI-CQSZACIVSA-N 1 0 303.387 1.951 10 0 DDAERO [NH3+][C@@H]1CCOC[C@H]1S(=O)(=O)c1cccc(Br)c1 ZINC000081982640 192349812 /nfs/dbraw/zinc/34/98/12/192349812.db2.gz MQXRRWUXFPQOPR-GHMZBOCLSA-N 1 0 320.208 1.339 10 0 DDAERO C[NH+](C)C1CCN(S(=O)(=O)c2ccc(F)c(CO)c2)CC1 ZINC000088884008 185268571 /nfs/dbraw/zinc/26/85/71/185268571.db2.gz RFUPPHFSSDQEJH-UHFFFAOYSA-N 1 0 316.398 1.033 10 0 DDAERO O=S(=O)(CCCCO)N1CCC([NH+]2CCCCC2)CC1 ZINC000088885835 185268895 /nfs/dbraw/zinc/26/88/95/185268895.db2.gz HHCVPYDFNKNYKD-UHFFFAOYSA-N 1 0 304.456 1.039 10 0 DDAERO CCCN(CC[NH+](C)C)S(=O)(=O)c1ccccc1CO ZINC000088895197 185270159 /nfs/dbraw/zinc/27/01/59/185270159.db2.gz UDYPKCXQTZJJQV-UHFFFAOYSA-N 1 0 300.424 1.141 10 0 DDAERO C[NH2+][C@@H](C[S@](=O)CCS(C)(=O)=O)c1cc(C)ccc1C ZINC000081992982 192351495 /nfs/dbraw/zinc/35/14/95/192351495.db2.gz QMBUYFJWNUACCP-LIRRHRJNSA-N 1 0 317.476 1.357 10 0 DDAERO CCC[NH2+][C@@H](C[S@@](=O)CCS(C)(=O)=O)c1ccccc1 ZINC000081992122 192351682 /nfs/dbraw/zinc/35/16/82/192351682.db2.gz DMLJBGOGVIITGF-IFXJQAMLSA-N 1 0 317.476 1.521 10 0 DDAERO C[NH2+][C@H](C[S@](=O)CCS(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000081993116 192352331 /nfs/dbraw/zinc/35/23/31/192352331.db2.gz LMCJSNOBJMWYDF-KUHUBIRLSA-N 1 0 317.476 1.357 10 0 DDAERO CCCN(CC(=O)NC(=O)c1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000090294005 185289964 /nfs/dbraw/zinc/28/99/64/185289964.db2.gz LSDDKYJPNRGOTI-UHFFFAOYSA-N 1 0 309.797 1.280 10 0 DDAERO O=C(c1cc2ccccc2s1)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308861 185290099 /nfs/dbraw/zinc/29/00/99/185290099.db2.gz GGWQUBIOEDCMND-UHFFFAOYSA-N 1 0 301.415 1.631 10 0 DDAERO O=S(=O)(c1ccc2c(c1)CCCC2)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090322123 185291022 /nfs/dbraw/zinc/29/10/22/185291022.db2.gz QVWSQGAFSHYYMO-GJZGRUSLSA-N 1 0 306.431 1.405 10 0 DDAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cncc(Br)c1 ZINC000090324852 185291127 /nfs/dbraw/zinc/29/11/27/185291127.db2.gz NLPOGFMYCZNFDF-HLUHBDAQSA-N 1 0 310.195 1.524 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1S(=O)(=O)CC1CCCCC1 ZINC000090336972 185292006 /nfs/dbraw/zinc/29/20/06/185292006.db2.gz PNMPHFXFDSGVNT-KBPBESRZSA-N 1 0 300.468 1.826 10 0 DDAERO [NH3+][C@@H]1COC[C@@H]1c1nc(Cc2ccccc2Br)no1 ZINC000090364740 185292721 /nfs/dbraw/zinc/29/27/21/185292721.db2.gz FFFVDOMBSGAMAT-GXSJLCMTSA-N 1 0 324.178 1.864 10 0 DDAERO COc1cc(NC(=O)[C@@H]2COC[C@H]2[NH3+])c(OC)cc1Cl ZINC000090378548 185293625 /nfs/dbraw/zinc/29/36/25/185293625.db2.gz DJYWJHRLSSMMEQ-VXNVDRBHSA-N 1 0 300.742 1.269 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(C)cc1Br ZINC000090431412 185295919 /nfs/dbraw/zinc/29/59/19/185295919.db2.gz 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/nfs/dbraw/zinc/55/83/32/354558332.db2.gz SZBHITANYSZNSS-AAEUAGOBSA-N 1 0 308.361 1.301 10 0 DDAERO CCN1CCN(C(=O)C[C@H]2CCCCO2)C[C@H]1c1nccn1C ZINC000328621550 354548710 /nfs/dbraw/zinc/54/87/10/354548710.db2.gz HULREOBRPXOYFW-CABCVRRESA-N 1 0 320.437 1.585 10 0 DDAERO CO[C@@]1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CCOC1 ZINC000276989476 213223797 /nfs/dbraw/zinc/22/37/97/213223797.db2.gz VTYHHCHYSCMFOD-AEFFLSMTSA-N 1 0 318.417 1.573 10 0 DDAERO Nc1[nH]cc(C=CCNC(=O)c2cc(Br)c[nH]2)[nH+]1 ZINC000005116960 181205043 /nfs/dbraw/zinc/20/50/43/181205043.db2.gz KHJREOQCERRAME-OWOJBTEDSA-N 1 0 310.155 1.526 10 0 DDAERO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)C(=O)NC(=O)NC1CC1 ZINC000078245773 191836390 /nfs/dbraw/zinc/83/63/90/191836390.db2.gz WCAIIKDAHQVUTB-RKDXNWHRSA-N 1 0 311.332 1.992 10 0 DDAERO CCC[C@@H](COC)NS(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000079744997 191968622 /nfs/dbraw/zinc/96/86/22/191968622.db2.gz PONKHTKHCNSTPI-AWEZNQCLSA-N 1 0 300.424 1.380 10 0 DDAERO CC(C)(NS(=O)(=O)c1ccccc1C(F)(F)F)C(N)=[NH2+] ZINC000079783037 191971859 /nfs/dbraw/zinc/97/18/59/191971859.db2.gz HXNBEWIHMXJUKP-UHFFFAOYSA-N 1 0 309.313 1.698 10 0 DDAERO CC(C)[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(N)=[NH2+] ZINC000079859219 191978635 /nfs/dbraw/zinc/97/86/35/191978635.db2.gz JUEJSELLBHBMOQ-SNVBAGLBSA-N 1 0 323.340 1.944 10 0 DDAERO CC(C)C[N@H+](CCC(N)=S)C[C@@H]1CN(C(C)C)CCO1 ZINC000080746507 192186902 /nfs/dbraw/zinc/18/69/02/192186902.db2.gz JRXXCWCGWJAWOZ-CQSZACIVSA-N 1 0 301.500 1.730 10 0 DDAERO C[C@H]1CCC[C@@]([NH3+])(C(=O)Nc2ccccc2S(C)(=O)=O)C1 ZINC000080915910 192200908 /nfs/dbraw/zinc/20/09/08/192200908.db2.gz GRVYNZACKVJGJW-NHYWBVRUSA-N 1 0 310.419 1.936 10 0 DDAERO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CC2C[NH2+]C2)c1 ZINC000081747511 192320427 /nfs/dbraw/zinc/32/04/27/192320427.db2.gz CBTFIWSTILJTIX-UHFFFAOYSA-N 1 0 302.783 1.292 10 0 DDAERO CCC[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000236888142 202055506 /nfs/dbraw/zinc/05/55/06/202055506.db2.gz TXOCWKGWQSSRNY-GUTXKFCHSA-N 1 0 320.437 1.439 10 0 DDAERO CC(C)N(C(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(C[NH3+])cc1 ZINC000086018355 192544561 /nfs/dbraw/zinc/54/45/61/192544561.db2.gz PQPQPTXWFGAJBI-ZDUSSCGKSA-N 1 0 310.419 1.321 10 0 DDAERO CC(C)[C@H]1C[NH2+][C@H](C2CC2)CN1[C@@H]1CCCS(=O)(=O)C1 ZINC000086266000 192557049 /nfs/dbraw/zinc/55/70/49/192557049.db2.gz HNKGVXRVZIMCAT-QLFBSQMISA-N 1 0 300.468 1.272 10 0 DDAERO CC[NH2+]Cc1ccccc1NC(=O)COCc1nc(C)no1 ZINC000237047601 202134373 /nfs/dbraw/zinc/13/43/73/202134373.db2.gz AOWFHTPPLBKYFE-UHFFFAOYSA-N 1 0 304.350 1.643 10 0 DDAERO C[NH2+]C1CCN(C(=O)CCc2cc(OC)ccc2OC)CC1 ZINC000237067201 202142007 /nfs/dbraw/zinc/14/20/07/202142007.db2.gz YOUWRZDGOQAQMC-UHFFFAOYSA-N 1 0 306.406 1.847 10 0 DDAERO CN(C)S(=O)(=O)c1cccc(N[C@H]2CCC[N@H+](C)CC2)c1 ZINC000086818043 192600119 /nfs/dbraw/zinc/60/01/19/192600119.db2.gz KMJXQJZRWQRJCQ-ZDUSSCGKSA-N 1 0 311.451 1.833 10 0 DDAERO COCCOc1cccc(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000237185351 202180560 /nfs/dbraw/zinc/18/05/60/202180560.db2.gz MEHWKMNZMQSTGY-LSDHHAIUSA-N 1 0 306.406 1.846 10 0 DDAERO C[NH2+]Cc1ccccc1S(=O)(=O)N(C)[C@@H]1CCSC1 ZINC000088954148 192667749 /nfs/dbraw/zinc/66/77/49/192667749.db2.gz ATHVIJXKQORVRS-GFCCVEGCSA-N 1 0 300.449 1.532 10 0 DDAERO CCC[NH2+]CCn1cc(S(=O)(=O)N(C)CC(C)C)cn1 ZINC000088948033 192664845 /nfs/dbraw/zinc/66/48/45/192664845.db2.gz LUKBVTLLDXLYPT-UHFFFAOYSA-N 1 0 302.444 1.159 10 0 DDAERO Cc1oc(C)c(S(=O)(=O)N(C)Cc2ccncc2)c1C[NH3+] ZINC000088961908 192670785 /nfs/dbraw/zinc/67/07/85/192670785.db2.gz NFSUWXVOGRVWFO-UHFFFAOYSA-N 1 0 309.391 1.571 10 0 DDAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)CC1CCCCC1 ZINC000088995497 192686690 /nfs/dbraw/zinc/68/66/90/192686690.db2.gz QBDLRWASMVVOOY-HNNXBMFYSA-N 1 0 317.499 1.817 10 0 DDAERO CCC[C@@H](C(=O)NCc1ccnc(N2CCOCC2)c1)[NH+](C)C ZINC000179458846 199038906 /nfs/dbraw/zinc/03/89/06/199038906.db2.gz SGQAGQBGTKBFIA-HNNXBMFYSA-N 1 0 320.437 1.265 10 0 DDAERO CC[NH2+]C[C@@H]1CCCN(S(=O)(=O)N(CC(C)C)C(C)C)C1 ZINC000089005500 192692451 /nfs/dbraw/zinc/69/24/51/192692451.db2.gz KCIFZSPTWQOVCX-HNNXBMFYSA-N 1 0 319.515 1.919 10 0 DDAERO C[C@H]1CCCC[C@@H]1N(C)S(=O)(=O)N1CCC(C[NH3+])CC1 ZINC000089006375 192693164 /nfs/dbraw/zinc/69/31/64/192693164.db2.gz XDPFJABTPPYDDZ-JSGCOSHPSA-N 1 0 303.472 1.412 10 0 DDAERO C[C@@H]1C[C@H](N[C@@H]2CCCNC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000348072422 283354330 /nfs/dbraw/zinc/35/43/30/283354330.db2.gz AWWROYLSTHPKQM-DJIMGWMZSA-N 1 0 301.434 1.908 10 0 DDAERO CC[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(CC)[C@@H](C)COC ZINC000089008004 192695056 /nfs/dbraw/zinc/69/50/56/192695056.db2.gz CNYOPSRROMHGCP-UONOGXRCSA-N 1 0 321.487 1.052 10 0 DDAERO [NH3+]Cc1cc(S(=O)(=O)NCC[C@H]2CCCO2)ccc1Cl ZINC000089010950 192696668 /nfs/dbraw/zinc/69/66/68/192696668.db2.gz OMLODIQZDQAWIR-LLVKDONJSA-N 1 0 318.826 1.646 10 0 DDAERO CCN(c1ccc(C)cc1)S(=O)(=O)N1CCC(C[NH3+])CC1 ZINC000089015120 192700378 /nfs/dbraw/zinc/70/03/78/192700378.db2.gz IEXPFIXQXWQYHM-UHFFFAOYSA-N 1 0 311.451 1.737 10 0 DDAERO 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318.421 1.637 10 0 DDAERO C[C@@H]([NH3+])CCNC(=O)COc1cccc(NC(=O)C2CC2)c1 ZINC000262528335 296018156 /nfs/dbraw/zinc/01/81/56/296018156.db2.gz DDOIGLORDTZNMH-LLVKDONJSA-N 1 0 305.378 1.267 10 0 DDAERO CCn1ncnc1CN(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000193337002 201033240 /nfs/dbraw/zinc/03/32/40/201033240.db2.gz FFGHWGSYQMQMBQ-UHFFFAOYSA-N 1 0 317.441 1.091 10 0 DDAERO CC(C)OC[C@@H](O)C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195270844 201370585 /nfs/dbraw/zinc/37/05/85/201370585.db2.gz BNWCYRYZUYZZQI-MSOLQXFVSA-N 1 0 321.465 1.621 10 0 DDAERO [NH3+]CCNC(=O)[C@@H]1CCCN(c2snc3ccccc32)C1 ZINC000090869361 192939923 /nfs/dbraw/zinc/93/99/23/192939923.db2.gz IZNSIOIPBGJVGY-LLVKDONJSA-N 1 0 304.419 1.588 10 0 DDAERO CCS(=O)(=O)[C@@H]1CSCCN1C[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000090927935 192950163 /nfs/dbraw/zinc/95/01/63/192950163.db2.gz MGZXFINAVKDSBN-MELADBBJSA-N 1 0 320.524 1.704 10 0 DDAERO CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000248853764 202767514 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1.513 10 0 DDAERO C[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000262640246 296090558 /nfs/dbraw/zinc/09/05/58/296090558.db2.gz SAQRMEGDDJLREO-BZNIZROVSA-N 1 0 304.394 1.440 10 0 DDAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)nc1 ZINC000092113744 193161158 /nfs/dbraw/zinc/16/11/58/193161158.db2.gz FGKHRQNCHKEQEP-STQMWFEESA-N 1 0 311.451 1.856 10 0 DDAERO CCC[NH2+]C[C@H]1CCCCN1S(=O)(=O)N1C[C@H](C)[C@H](C)C1 ZINC000092113956 193161176 /nfs/dbraw/zinc/16/11/76/193161176.db2.gz CERPAGHEFSDLPX-QLFBSQMISA-N 1 0 317.499 1.673 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCOC(C)(C)C2)c(F)c1 ZINC000092115718 193163127 /nfs/dbraw/zinc/16/31/27/193163127.db2.gz BXQVMHPLUYHSET-UHFFFAOYSA-N 1 0 316.398 1.345 10 0 DDAERO CC(C)c1nc(N2CCN(CC[NH+](C)C)CC2)sc1C=O ZINC000093000955 193192249 /nfs/dbraw/zinc/19/22/49/193192249.db2.gz INLUEADGZFRIEQ-UHFFFAOYSA-N 1 0 310.467 1.763 10 0 DDAERO CC(C)Cn1cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)cn1 ZINC000261904635 203148870 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NC1=[NH+]C[C@H]([C@@H]2CCOC2)N1c1ccc(Br)cc1 ZINC000093386923 193241942 /nfs/dbraw/zinc/24/19/42/193241942.db2.gz PGBKSDLFFLMYTR-BXKDBHETSA-N 1 0 310.195 1.989 10 0 DDAERO C[NH2+]C1(CC(=O)NCC(C)(C)S(C)(=O)=O)CCCCC1 ZINC000093525914 193264016 /nfs/dbraw/zinc/26/40/16/193264016.db2.gz XYKZWJQXPUITAJ-UHFFFAOYSA-N 1 0 304.456 1.238 10 0 DDAERO C[C@@H]1C[NH2+][C@@H](c2ccccc2)CN1CC(C)(C)S(C)(=O)=O ZINC000093525891 193264244 /nfs/dbraw/zinc/26/42/44/193264244.db2.gz LTRSFNUCHZRJKF-UKRRQHHQSA-N 1 0 310.463 1.845 10 0 DDAERO O=C(N[C@H](CO)c1ccccc1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262747838 203397988 /nfs/dbraw/zinc/39/79/88/203397988.db2.gz JZAYVIKFTXRQRX-GOEBONIOSA-N 1 0 314.389 1.271 10 0 DDAERO CC(C)N(CC(F)F)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262749260 203398226 /nfs/dbraw/zinc/39/82/26/203398226.db2.gz KETSOIORNCYLBH-LLVKDONJSA-N 1 0 300.353 1.923 10 0 DDAERO CS(=O)(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000093696672 193292262 /nfs/dbraw/zinc/29/22/62/193292262.db2.gz 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ZINC000093895763 193325647 /nfs/dbraw/zinc/32/56/47/193325647.db2.gz KFADTYHFPGQGIP-KBPBESRZSA-N 1 0 311.861 1.604 10 0 DDAERO CCCN(CC1CC[NH2+]CC1)S(=O)(=O)c1cn(C)c(C)n1 ZINC000094024046 193339109 /nfs/dbraw/zinc/33/91/09/193339109.db2.gz FYWMJGSUUQBSOO-UHFFFAOYSA-N 1 0 314.455 1.129 10 0 DDAERO CC1(C)CC[C@H](N2CCn3c(nnc3C(F)(F)F)C2)[C@H]1[NH3+] ZINC000094306516 193358248 /nfs/dbraw/zinc/35/82/48/193358248.db2.gz OMFWKOAVPPRRHR-WCBMZHEXSA-N 1 0 303.332 1.628 10 0 DDAERO CC[NH2+]Cc1sc(N(C)CCS(C)(=O)=O)nc1CC ZINC000094301223 193358968 /nfs/dbraw/zinc/35/89/68/193358968.db2.gz BDIIGBIJSBEKPO-UHFFFAOYSA-N 1 0 305.469 1.296 10 0 DDAERO NC(=O)[C@H]1CCCN(c2nc(C(F)(F)F)ccc2C[NH3+])C1 ZINC000094334042 193360652 /nfs/dbraw/zinc/36/06/52/193360652.db2.gz WMOCBIYMOUKXMN-VIFPVBQESA-N 1 0 302.300 1.261 10 0 DDAERO CN(c1nc(C(F)(F)F)ccc1C(N)=O)[C@@H]1CCC[NH2+]C1 ZINC000094337447 193361093 /nfs/dbraw/zinc/36/10/93/193361093.db2.gz VNXDPHFJLRBCJR-MRVPVSSYSA-N 1 0 302.300 1.388 10 0 DDAERO NC(=O)c1ccc(C(F)(F)F)nc1O[C@@H]1CCC[C@H]1C[NH3+] ZINC000094337729 193361108 /nfs/dbraw/zinc/36/11/08/193361108.db2.gz RADCXRYADROKAQ-IONNQARKSA-N 1 0 303.284 1.706 10 0 DDAERO CS(=O)(=O)[C@@H]1CCC[C@@H]([N@H+](CC(N)=S)C2CCCC2)C1 ZINC000094636676 193386998 /nfs/dbraw/zinc/38/69/98/193386998.db2.gz KXHYMXHBZLZHHL-CHWSQXEVSA-N 1 0 318.508 1.873 10 0 DDAERO CS(=O)(=O)[C@@H]1CCC[C@H](N2CC[NH2+]Cc3ccccc32)C1 ZINC000094638658 193387992 /nfs/dbraw/zinc/38/79/92/193387992.db2.gz YCNGWVSDHXEOHY-LSDHHAIUSA-N 1 0 308.447 1.952 10 0 DDAERO CS(=O)(=O)[C@@H]1CCC[C@@H](N2CC[NH2+]CC23CCCCC3)C1 ZINC000094638786 193388197 /nfs/dbraw/zinc/38/81/97/193388197.db2.gz BVASOAGSUYMDMZ-HUUCEWRRSA-N 1 0 314.495 1.950 10 0 DDAERO CC(C)([C@H]([NH3+])[C@@H]1CCC[C@H](S(C)(=O)=O)C1)N1CCCC1 ZINC000094642883 193388985 /nfs/dbraw/zinc/38/89/85/193388985.db2.gz OUIAKRAJIHQYMV-HZSPNIEDSA-N 1 0 302.484 1.792 10 0 DDAERO CC(C)C[C@H](C[NH3+])C(=O)Nc1cccc(NS(C)(=O)=O)c1 ZINC000094699530 193391410 /nfs/dbraw/zinc/39/14/10/193391410.db2.gz ZPNBYNULIPRVDJ-LLVKDONJSA-N 1 0 313.423 1.618 10 0 DDAERO Cc1ccc(S(C)(=O)=O)cc1NC(=O)[C@@H](C[NH3+])CC(C)C ZINC000094697582 193391784 /nfs/dbraw/zinc/39/17/84/193391784.db2.gz KHWPTSMPSCQGJH-GFCCVEGCSA-N 1 0 312.435 1.958 10 0 DDAERO COCC(=O)N1CCC([NH2+][C@@H]2CSCC(C)(C)C2)CC1 ZINC000094488073 193372342 /nfs/dbraw/zinc/37/23/42/193372342.db2.gz JRSBBHHXTPTRJG-ZDUSSCGKSA-N 1 0 300.468 1.745 10 0 DDAERO CC[NH2+][C@@H]1COC[C@H]1c1nc([C@@H]2CSCCS2)no1 ZINC000094495925 193373140 /nfs/dbraw/zinc/37/31/40/193373140.db2.gz XREHWXKLCUGOIV-BBBLOLIVSA-N 1 0 301.437 1.683 10 0 DDAERO CC[NH2+][C@H](Cc1ccc(F)cc1Cl)[C@H]1CN2CCN1CC2 ZINC000094510159 193375690 /nfs/dbraw/zinc/37/56/90/193375690.db2.gz FCSUHPSOFNEJKI-HZPDHXFCSA-N 1 0 311.832 2.000 10 0 DDAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2cc3c(cc2Cl)NC(=O)C3)O1 ZINC000094566296 193380644 /nfs/dbraw/zinc/38/06/44/193380644.db2.gz UDZUZVCWDRMMCM-PRHODGIISA-N 1 0 309.753 1.279 10 0 DDAERO COc1cc(Cl)c(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1OC ZINC000094566482 193380674 /nfs/dbraw/zinc/38/06/74/193380674.db2.gz UCYCGYGQFIXYSW-KCJUWKMLSA-N 1 0 314.769 1.802 10 0 DDAERO COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CC[C@H](C[NH3+])O2)c1 ZINC000094566514 193381091 /nfs/dbraw/zinc/38/10/91/193381091.db2.gz ZIQXNUOCYLUYKW-BXKDBHETSA-N 1 0 312.753 1.571 10 0 DDAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2cc(Br)ccc2O)C1 ZINC000094573550 193381473 /nfs/dbraw/zinc/38/14/73/193381473.db2.gz NAQKCPFPLTVMKZ-SCZZXKLOSA-N 1 0 315.167 1.470 10 0 DDAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@H]1CC[C@@H](C[NH3+])O1 ZINC000094571967 193381860 /nfs/dbraw/zinc/38/18/60/193381860.db2.gz APHLLPAKSJPIIH-GXSJLCMTSA-N 1 0 312.391 1.678 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cc(Br)ccc1O ZINC000094573546 193381904 /nfs/dbraw/zinc/38/19/04/193381904.db2.gz HIASXFOZYRBLKK-PSASIEDQSA-N 1 0 315.167 1.328 10 0 DDAERO C[NH2+][C@@H](C)c1cc(F)c(C)cc1N(C)CCS(C)(=O)=O ZINC000094767026 193396779 /nfs/dbraw/zinc/39/67/79/193396779.db2.gz BZWVYZRKFBYGNO-NSHDSACASA-N 1 0 302.415 1.895 10 0 DDAERO Cn1nccc1C[NH2+]C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000351339460 284319883 /nfs/dbraw/zinc/31/98/83/284319883.db2.gz MWIOGHLIRNEYNE-SNVBAGLBSA-N 1 0 313.327 1.988 10 0 DDAERO CCC[NH2+][C@@H](CCOCC)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000097309248 193706587 /nfs/dbraw/zinc/70/65/87/193706587.db2.gz CITLXHYTWYWPNM-CABCVRRESA-N 1 0 320.499 1.843 10 0 DDAERO C[C@@H](Oc1ccc(Br)cc1C[NH3+])C(=O)N(C)C ZINC000020483408 182223315 /nfs/dbraw/zinc/22/33/15/182223315.db2.gz NIDCZIJWGJTWEZ-MRVPVSSYSA-N 1 0 301.184 1.763 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000036076725 182795195 /nfs/dbraw/zinc/79/51/95/182795195.db2.gz DWJXXTNCHRVEKW-WDEREUQCSA-N 1 0 323.359 1.386 10 0 DDAERO CS(=O)(=O)c1cccc(C(=O)Nc2cccc(C[NH3+])c2)c1 ZINC000040162539 183042100 /nfs/dbraw/zinc/04/21/00/183042100.db2.gz AQLRJTJFXBQTBA-UHFFFAOYSA-N 1 0 304.371 1.801 10 0 DDAERO CC(C)[C@H](CNS(=O)(=O)c1ccc(Cl)nc1)[NH+](C)C ZINC000040430006 183065695 /nfs/dbraw/zinc/06/56/95/183065695.db2.gz HWKODGOUVMLQGS-NSHDSACASA-N 1 0 305.831 1.600 10 0 DDAERO CCNS(=O)(=O)c1ccccc1N[C@H]1CCC[N@H+](CC)C1 ZINC000040503148 183084390 /nfs/dbraw/zinc/08/43/90/183084390.db2.gz TXZSJRWGYUQNEB-ZDUSSCGKSA-N 1 0 311.451 1.881 10 0 DDAERO COc1cc(Cl)c(NC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)cc1OC ZINC000040633177 183112050 /nfs/dbraw/zinc/11/20/50/183112050.db2.gz VWEIVMVMEGRMDI-LDYMZIIASA-N 1 0 314.769 1.673 10 0 DDAERO CC[NH2+][C@H](C)c1cccc(S(=O)(=O)NCCC(=O)OC)c1 ZINC000041041305 183159111 /nfs/dbraw/zinc/15/91/11/183159111.db2.gz ZJVWBKHVXCCVQB-LLVKDONJSA-N 1 0 314.407 1.199 10 0 DDAERO C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H]1CCCO1 ZINC000041918875 183225341 /nfs/dbraw/zinc/22/53/41/183225341.db2.gz VBPDICMZUCRUFU-DOMZBBRYSA-N 1 0 319.405 1.370 10 0 DDAERO CC[NH2+]Cc1cccc(Br)c1OCCC(N)=O ZINC000042411666 183266149 /nfs/dbraw/zinc/26/61/49/183266149.db2.gz FKEMFIDEGZDECS-UHFFFAOYSA-N 1 0 301.184 1.813 10 0 DDAERO COC[C@@H](O)C[N@H+](C)Cc1ccc(OC)c(Br)c1 ZINC000042514058 183278810 /nfs/dbraw/zinc/27/88/10/183278810.db2.gz MASYRVXQCUXSCP-NSHDSACASA-N 1 0 318.211 1.897 10 0 DDAERO COC(=O)C[C@H]([NH2+]C1CCS(=O)CC1)c1cccs1 ZINC000042337127 183256238 /nfs/dbraw/zinc/25/62/38/183256238.db2.gz IOVKFWONMIIFLQ-JVIGMCFJSA-N 1 0 301.433 1.853 10 0 DDAERO CC[NH2+]Cc1cc2c(cc1OCCS(=O)(=O)CC)OCO2 ZINC000042874589 183316286 /nfs/dbraw/zinc/31/62/86/183316286.db2.gz NRHFUCBZFSUTQL-UHFFFAOYSA-N 1 0 315.391 1.338 10 0 DDAERO CC(C)N(CC(F)(F)F)S(=O)(=O)c1cc[nH+]c(NN)c1 ZINC000042782294 183308601 /nfs/dbraw/zinc/30/86/01/183308601.db2.gz SAEDHPDQMYZOHT-UHFFFAOYSA-N 1 0 312.317 1.329 10 0 DDAERO [NH3+][C@H](c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043299796 183351574 /nfs/dbraw/zinc/35/15/74/183351574.db2.gz MNRPVXKLJWKDAI-GXSJLCMTSA-N 1 0 304.209 1.884 10 0 DDAERO COc1cc([C@@H]([NH3+])[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000043299804 183351620 /nfs/dbraw/zinc/35/16/20/183351620.db2.gz GETIMJMFVFKFHC-ZANVPECISA-N 1 0 315.391 1.147 10 0 DDAERO COc1cc(OC)c([C@H]([NH3+])[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000043299947 183352478 /nfs/dbraw/zinc/35/24/78/183352478.db2.gz NKZKMBALIKMUBO-LKFCYVNXSA-N 1 0 315.391 1.147 10 0 DDAERO C[C@@H]([NH3+])Cc1ccc(O[C@H]2CCS(=O)(=O)C2)c(Cl)c1 ZINC000043491533 183366466 /nfs/dbraw/zinc/36/64/66/183366466.db2.gz SQNHZMQNUKDOSR-KOLCDFICSA-N 1 0 303.811 1.796 10 0 DDAERO COc1cc(Cl)c(NC(=O)[C@@H]2C[NH2+]CCO2)cc1OC ZINC000043708811 183382538 /nfs/dbraw/zinc/38/25/38/183382538.db2.gz IEIVHRZMKKHLEE-LBPRGKRZSA-N 1 0 300.742 1.284 10 0 DDAERO CSc1nc2ccc(NC(=O)[C@H]3C[NH2+]CCO3)cc2s1 ZINC000043708546 183382558 /nfs/dbraw/zinc/38/25/58/183382558.db2.gz WRROXAUYPANJSB-SNVBAGLBSA-N 1 0 309.416 1.945 10 0 DDAERO C[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000044594564 183426450 /nfs/dbraw/zinc/42/64/50/183426450.db2.gz GYLNUYUGSRWCQW-LBPRGKRZSA-N 1 0 308.403 1.690 10 0 DDAERO NS(=O)(=O)CCC[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000045066358 183478540 /nfs/dbraw/zinc/47/85/40/183478540.db2.gz RIPKEUFUDGCOLN-UHFFFAOYSA-N 1 0 312.313 1.353 10 0 DDAERO C[C@@H](NC(=O)c1ccco1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000104571823 194016909 /nfs/dbraw/zinc/01/69/09/194016909.db2.gz ROZPWTTUBQBOKJ-GFCCVEGCSA-N 1 0 307.394 1.389 10 0 DDAERO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000284740346 218158039 /nfs/dbraw/zinc/15/80/39/218158039.db2.gz UTCWGHHMHFTDSS-IXDOHACOSA-N 1 0 318.417 1.801 10 0 DDAERO O=C(NCc1cccc2c1OCO2)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105173230 194081596 /nfs/dbraw/zinc/08/15/96/194081596.db2.gz FXHRYVPCULUBTP-AWEZNQCLSA-N 1 0 317.389 1.795 10 0 DDAERO C[N@H+](Cc1cn2cccnc2n1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105803424 194131400 /nfs/dbraw/zinc/13/14/00/194131400.db2.gz VDKFKEGAQFLIOC-OAHLLOKOSA-N 1 0 323.404 1.620 10 0 DDAERO CC[C@H]1CN(Cc2nnc(C)n2C2CC2)CC[N@@H+]1CCOC ZINC000105837349 194144880 /nfs/dbraw/zinc/14/48/80/194144880.db2.gz SNCJWCNMQDCRMZ-AWEZNQCLSA-N 1 0 307.442 1.464 10 0 DDAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)N(C(C)C)C(C)C)CC2 ZINC000105873070 194153392 /nfs/dbraw/zinc/15/33/92/194153392.db2.gz OFDQZYUNUUUNSY-KGLIPLIRSA-N 1 0 321.469 1.779 10 0 DDAERO Cc1csc(=O)n1CC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105883376 194157417 /nfs/dbraw/zinc/15/74/17/194157417.db2.gz SKEBQUWWNIFBGZ-ZDUSSCGKSA-N 1 0 307.423 1.222 10 0 DDAERO c1cnn(CCCCC[N@@H+]2CCO[C@H](Cn3cccn3)C2)c1 ZINC000105890965 194159558 /nfs/dbraw/zinc/15/95/58/194159558.db2.gz XZVXGHIQSVITFG-INIZCTEOSA-N 1 0 303.410 1.651 10 0 DDAERO COCCC[NH+]1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000105894398 194159882 /nfs/dbraw/zinc/15/98/82/194159882.db2.gz IEJOCVPUFBLMRU-INIZCTEOSA-N 1 0 308.422 1.080 10 0 DDAERO O[C@@H](COc1ccc(F)cc1)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000105898622 194164251 /nfs/dbraw/zinc/16/42/51/194164251.db2.gz PTFLXATZLUYODZ-LSDHHAIUSA-N 1 0 320.368 1.494 10 0 DDAERO CCCC[C@H](C(=O)OC)N1CC[N@H+](CCOCC)[C@H](C)C1 ZINC000105914054 194168093 /nfs/dbraw/zinc/16/80/93/194168093.db2.gz HCRNANXEIZONOT-HUUCEWRRSA-N 1 0 300.443 1.761 10 0 DDAERO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(SC)ccc1Cl ZINC000048762234 183685717 /nfs/dbraw/zinc/68/57/17/183685717.db2.gz DPBLKHLFBSQRGN-RYUDHWBXSA-N 1 0 300.811 1.779 10 0 DDAERO Cc1cc(S(=O)(=O)NCC[NH+]2CCCCC2)cc(N)c1C ZINC000049574447 183743266 /nfs/dbraw/zinc/74/32/66/183743266.db2.gz RXWJOHFOZWGUTF-UHFFFAOYSA-N 1 0 311.451 1.650 10 0 DDAERO C[C@H]([NH2+]CCc1nncn1C)c1ccc(S(C)(=O)=O)cc1 ZINC000109421082 194262374 /nfs/dbraw/zinc/26/23/74/194262374.db2.gz RGAGSMXXAISCMY-NSHDSACASA-N 1 0 308.407 1.112 10 0 DDAERO C[C@@H](C(N)=S)[NH+]1CCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000109457727 194264964 /nfs/dbraw/zinc/26/49/64/194264964.db2.gz RBKPXGOZIGCRCV-NSHDSACASA-N 1 0 309.410 1.187 10 0 DDAERO CCC[C@@H](C(N)=S)[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000109463852 194265901 /nfs/dbraw/zinc/26/59/01/194265901.db2.gz LALOVQOUOUHNCR-LBPRGKRZSA-N 1 0 311.476 1.961 10 0 DDAERO CC[NH2+][C@H](C)c1cccc(S(=O)(=O)N[C@@H]2CCCOC2)c1 ZINC000109550549 194272545 /nfs/dbraw/zinc/27/25/45/194272545.db2.gz XALSADHCIJYVGW-TZMCWYRMSA-N 1 0 312.435 1.814 10 0 DDAERO CC[NH2+][C@H]1CCCCC[C@H]1c1nc(CS(C)(=O)=O)no1 ZINC000109512500 194270220 /nfs/dbraw/zinc/27/02/20/194270220.db2.gz KDPWLBYPLAWOGO-MNOVXSKESA-N 1 0 301.412 1.640 10 0 DDAERO CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C[C@@H](C)O)cc1 ZINC000051840008 183838736 /nfs/dbraw/zinc/83/87/36/183838736.db2.gz DRAUHYORZKSJTR-VXGBXAGGSA-N 1 0 300.424 1.358 10 0 DDAERO CC1CCC(CO)([NH2+]C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000053118588 183889222 /nfs/dbraw/zinc/88/92/22/183889222.db2.gz JYZUNJRWLQSFJX-LVDPKSTMSA-N 1 0 301.427 1.074 10 0 DDAERO CCCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1ccccc1OC ZINC000110942483 194372150 /nfs/dbraw/zinc/37/21/50/194372150.db2.gz IKRKSTUHFIKIIN-CYBMUJFWSA-N 1 0 312.435 1.848 10 0 DDAERO CCN([C@H]1CCC[NH2+]C1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000110941326 194372630 /nfs/dbraw/zinc/37/26/30/194372630.db2.gz CDVOCTNKHZMJDO-AWEZNQCLSA-N 1 0 300.399 1.729 10 0 DDAERO O=C1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)CN1 ZINC000111021028 194384078 /nfs/dbraw/zinc/38/40/78/194384078.db2.gz SPXHHAUPXFOQBJ-VXGBXAGGSA-N 1 0 302.296 1.607 10 0 DDAERO CC[NH2+][C@](CSc1ccncn1)(C(N)=O)c1ccccc1 ZINC000111115358 194392506 /nfs/dbraw/zinc/39/25/06/194392506.db2.gz CXAPIAVJHSKBCT-HNNXBMFYSA-N 1 0 302.403 1.559 10 0 DDAERO C[C@@H](O)c1ccc(S(=O)(=O)N(C)CCC[NH+](C)C)cc1 ZINC000111146755 194395360 /nfs/dbraw/zinc/39/53/60/194395360.db2.gz JKNIFISNUPXNIJ-GFCCVEGCSA-N 1 0 300.424 1.312 10 0 DDAERO CCOC(=O)[C@](C)(CCN(C)CCC[NH+](C)C)NC(C)C ZINC000111145997 194395543 /nfs/dbraw/zinc/39/55/43/194395543.db2.gz WMWIMDDWLJWGLS-INIZCTEOSA-N 1 0 301.475 1.580 10 0 DDAERO Cn1ncc2c1nc(C[N@H+](C)C[C@@H]1CCCOC1)nc2Cl ZINC000111162554 194397297 /nfs/dbraw/zinc/39/72/97/194397297.db2.gz KDPIDFQMRNJPQV-JTQLQIEISA-N 1 0 309.801 1.875 10 0 DDAERO CCOC(=O)[C@](C)(C[N@H+](C)C[C@@H]1CCCOC1)NC(C)C ZINC000111169918 194398316 /nfs/dbraw/zinc/39/83/16/194398316.db2.gz BJLYBUMYOOMQKM-HOCLYGCPSA-N 1 0 300.443 1.665 10 0 DDAERO CCNS(=O)(=O)c1ccc(NC(=O)C[C@@H](C)[NH2+]CC)cc1 ZINC000061271070 184167028 /nfs/dbraw/zinc/16/70/28/184167028.db2.gz JQELJCLPEFEELP-LLVKDONJSA-N 1 0 313.423 1.311 10 0 DDAERO CC[NH2+]C[C@H](C)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000061267477 184167248 /nfs/dbraw/zinc/16/72/48/184167248.db2.gz FAJYAPJKHBAWQZ-NWDGAFQWSA-N 1 0 312.435 1.513 10 0 DDAERO O=C(CN1CCC[NH2+]CC1)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000061271219 184167380 /nfs/dbraw/zinc/16/73/80/184167380.db2.gz YESODQSNFZQWOP-NWDGAFQWSA-N 1 0 307.360 1.519 10 0 DDAERO C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCC[NH+]1CCCC1 ZINC000061547844 184174835 /nfs/dbraw/zinc/17/48/35/184174835.db2.gz SGTWUOWZRULSHM-CQSZACIVSA-N 1 0 318.421 1.799 10 0 DDAERO COc1ccccc1[C@@H](C[NH3+])Sc1n[nH]c(=O)n1C(C)C ZINC000061595070 184176683 /nfs/dbraw/zinc/17/66/83/184176683.db2.gz DINBDDVWNLDPGU-GFCCVEGCSA-N 1 0 308.407 1.953 10 0 DDAERO C[NH+](C)C[C@H]1CCCN1CC(=O)Nc1cc(N)ccc1Cl ZINC000061641852 184180435 /nfs/dbraw/zinc/18/04/35/184180435.db2.gz CGHZUMJTAFCHKY-GFCCVEGCSA-N 1 0 310.829 1.887 10 0 DDAERO C[C@@H]1CC[C@@H](CNS(=O)(=O)c2ccc3c(c2)CCC3)C[NH2+]1 ZINC000062037503 184202733 /nfs/dbraw/zinc/20/27/33/184202733.db2.gz PWCFTNDFKBVINL-CHWSQXEVSA-N 1 0 308.447 1.842 10 0 DDAERO CCC[NH2+][C@H]1CCCc2nc(N3CCNC(=O)CC3)sc21 ZINC000062101915 184205887 /nfs/dbraw/zinc/20/58/87/184205887.db2.gz MNYGTHWKHUNYPI-NSHDSACASA-N 1 0 308.451 1.846 10 0 DDAERO CCN[C@H](CC[N@H+](CCOC)[C@@H](C)C1CC1)C(=O)OCC ZINC000062463346 184238978 /nfs/dbraw/zinc/23/89/78/184238978.db2.gz UDLNISWZRCGULK-DZGCQCFKSA-N 1 0 300.443 1.665 10 0 DDAERO CC(C)C[NH+]1CCC(CNS(=O)(=O)NC2CCCC2)CC1 ZINC000062507737 184240582 /nfs/dbraw/zinc/24/05/82/184240582.db2.gz OWYKFOFZHUZORF-UHFFFAOYSA-N 1 0 317.499 1.721 10 0 DDAERO CCNS(=O)(=O)NC[C@@H](c1ccc(OCC)cc1)[NH+](C)C ZINC000062359006 184232732 /nfs/dbraw/zinc/23/27/32/184232732.db2.gz RBASOVLRORPSRY-AWEZNQCLSA-N 1 0 315.439 1.132 10 0 DDAERO CCCNS(=O)(=O)NC[C@H](c1cccs1)[NH+](CC)CC ZINC000062359560 184233112 /nfs/dbraw/zinc/23/31/12/184233112.db2.gz CXZXHFKIDWYAQS-GFCCVEGCSA-N 1 0 319.496 1.965 10 0 DDAERO COCC[NH2+]Cc1cccc(Br)c1OCCCO ZINC000062733841 184251521 /nfs/dbraw/zinc/25/15/21/184251521.db2.gz MMNJBISEVUBEPR-UHFFFAOYSA-N 1 0 318.211 1.946 10 0 DDAERO COCC[NH2+]Cc1c(N2CCC[C@@H](O)C2)nc2sccn12 ZINC000062737127 184252166 /nfs/dbraw/zinc/25/21/66/184252166.db2.gz JNOGLPAIZMPLQA-LLVKDONJSA-N 1 0 310.423 1.093 10 0 DDAERO CCC[NH2+][C@@H]1COc2cc(O[C@@H]3CCS(=O)(=O)C3)ccc21 ZINC000062804981 184253552 /nfs/dbraw/zinc/25/35/52/184253552.db2.gz MWVCQWVVMCXHFI-TZMCWYRMSA-N 1 0 311.403 1.686 10 0 DDAERO CCc1nc2ccccc2n1CC[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000062808150 184253699 /nfs/dbraw/zinc/25/36/99/184253699.db2.gz JYTZPZOQABCPJE-LBPRGKRZSA-N 1 0 307.419 1.375 10 0 DDAERO CCC[NH2+][C@H]1COc2cc(O[C@@H]3CCS(=O)(=O)C3)ccc21 ZINC000062804982 184253794 /nfs/dbraw/zinc/25/37/94/184253794.db2.gz MWVCQWVVMCXHFI-OCCSQVGLSA-N 1 0 311.403 1.686 10 0 DDAERO CCc1nc2ccccc2n1CC[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000062808149 184253797 /nfs/dbraw/zinc/25/37/97/184253797.db2.gz JYTZPZOQABCPJE-GFCCVEGCSA-N 1 0 307.419 1.375 10 0 DDAERO C[C@@H]1CN[C@H](C(=O)NCc2ccccc2C(F)(F)F)C[NH2+]1 ZINC000062815658 184254321 /nfs/dbraw/zinc/25/43/21/184254321.db2.gz AJPHKJLXFDEGFI-SKDRFNHKSA-N 1 0 301.312 1.272 10 0 DDAERO CCCC1(C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)CC[NH2+]CC1 ZINC000062848970 184256665 /nfs/dbraw/zinc/25/66/65/184256665.db2.gz MUTBXOIDRILAPJ-ZDUSSCGKSA-N 1 0 316.467 1.192 10 0 DDAERO NC(=S)c1cccc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000062942990 184261784 /nfs/dbraw/zinc/26/17/84/184261784.db2.gz GGKPBRAWGMZOSJ-CQSZACIVSA-N 1 0 303.431 1.631 10 0 DDAERO [NH3+][C@@H]1CCCCC[C@@H]1NS(=O)(=O)Cc1ccc(F)cc1 ZINC000063213631 184279097 /nfs/dbraw/zinc/27/90/97/184279097.db2.gz UOAGKKVAUCCIPE-KGLIPLIRSA-N 1 0 300.399 1.905 10 0 DDAERO CN(Cc1ccc(Cl)cc1)[C@]1(C[NH3+])CCS(=O)(=O)C1 ZINC000062962540 184262834 /nfs/dbraw/zinc/26/28/34/184262834.db2.gz QZATWKWNZYDZLO-ZDUSSCGKSA-N 1 0 302.827 1.288 10 0 DDAERO Cc1nc(Cl)sc1S(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062970721 184263388 /nfs/dbraw/zinc/26/33/88/184263388.db2.gz GSKPCPNLPRVIJU-QMMMGPOBSA-N 1 0 309.844 1.430 10 0 DDAERO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(C)cc(N)c2)C1 ZINC000062975670 184263577 /nfs/dbraw/zinc/26/35/77/184263577.db2.gz IFNVISKRACVVQC-AWEZNQCLSA-N 1 0 311.451 1.682 10 0 DDAERO NC(=S)c1cccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000062980166 184263993 /nfs/dbraw/zinc/26/39/93/184263993.db2.gz XZNSYTROCNXCLJ-HNNXBMFYSA-N 1 0 305.447 1.227 10 0 DDAERO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccccc2NC)C1 ZINC000062984629 184265156 /nfs/dbraw/zinc/26/51/56/184265156.db2.gz QJRWUGVOSWPCRH-ZDUSSCGKSA-N 1 0 311.451 1.833 10 0 DDAERO CN(CC(C)(C)[C@H]([NH3+])c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000063019018 184267415 /nfs/dbraw/zinc/26/74/15/184267415.db2.gz WMJXLVJFSXTWTE-HUUCEWRRSA-N 1 0 310.463 1.832 10 0 DDAERO [NH3+]CCc1ccc(S(=O)(=O)NCCc2nccs2)cc1 ZINC000063136152 184273255 /nfs/dbraw/zinc/27/32/55/184273255.db2.gz RNONYHXUMKNBIV-UHFFFAOYSA-N 1 0 311.432 1.165 10 0 DDAERO Cc1nc(S(=O)(=O)N2CCC[C@@H](C[NH2+]C(C)C)C2)cn1C ZINC000063138565 184273308 /nfs/dbraw/zinc/27/33/08/184273308.db2.gz ZADNSEZYPWDVNO-ZDUSSCGKSA-N 1 0 314.455 1.127 10 0 DDAERO COc1cc(C)c(S(=O)(=O)N[C@H]2CCC[C@H]2[NH3+])cc1OC ZINC000063175645 184276605 /nfs/dbraw/zinc/27/66/05/184276605.db2.gz MEUKAOANFOUDOY-MNOVXSKESA-N 1 0 314.407 1.170 10 0 DDAERO Cc1cnc([C@@H](C)NC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)o1 ZINC000638281970 422800758 /nfs/dbraw/zinc/80/07/58/422800758.db2.gz WDGRXKLNVZXHRJ-UKRRQHHQSA-N 1 0 316.405 1.620 10 0 DDAERO COCCC[NH2+]CC(=O)Nc1ccc(C(=O)NC(C)C)cc1 ZINC000066068387 184386371 /nfs/dbraw/zinc/38/63/71/184386371.db2.gz FATUBYLJXGZSRY-UHFFFAOYSA-N 1 0 307.394 1.389 10 0 DDAERO CCOC(=O)[C@@]1(N2CC[NH2+]CC2)CCC[C@H](C(F)(F)F)C1 ZINC000069385576 184511248 /nfs/dbraw/zinc/51/12/48/184511248.db2.gz JHLXGJMZGGODEA-WCQYABFASA-N 1 0 308.344 1.946 10 0 DDAERO COc1ccc(Cl)cc1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116784671 194770099 /nfs/dbraw/zinc/77/00/99/194770099.db2.gz YVLSRIKLKFJBBO-GFCCVEGCSA-N 1 0 312.797 1.751 10 0 DDAERO CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)o1 ZINC000156673983 197131823 /nfs/dbraw/zinc/13/18/23/197131823.db2.gz YZZZLUMDOVSBHW-CYBMUJFWSA-N 1 0 318.377 1.960 10 0 DDAERO Cc1ccc2ncc(CN3CC[N@@H+](C[C@@H](C)O)[C@H](C)C3)n2c1 ZINC000120674294 195213118 /nfs/dbraw/zinc/21/31/18/195213118.db2.gz HEOUNNCSMVNLTE-HUUCEWRRSA-N 1 0 302.422 1.530 10 0 DDAERO CCOCC[N@@H+]1CC[C@@H]2C[C@@H](C(=O)N3CCCCO3)O[C@H]2C1 ZINC000248288221 257106821 /nfs/dbraw/zinc/10/68/21/257106821.db2.gz HLZSFSOWBKMQKI-ILXRZTDVSA-N 1 0 312.410 1.056 10 0 DDAERO CN(C)C(=O)[C@]12CCO[C@H]1CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000247962658 257113317 /nfs/dbraw/zinc/11/33/17/257113317.db2.gz FUDUGBVAMJDUAK-RDJZCZTQSA-N 1 0 306.381 1.895 10 0 DDAERO COc1ccc(C[N@@H+]2C[C@H]3CN(C(C)=O)CCO[C@H]3C2)cc1 ZINC000247955417 257114246 /nfs/dbraw/zinc/11/42/46/257114246.db2.gz SLMPQTZFXUQAPX-RDJZCZTQSA-N 1 0 304.390 1.374 10 0 DDAERO COc1cccc(CN2CC[C@H]3OCC[N@H+](CC4CC4)[C@H]3C2)n1 ZINC000503718268 257209694 /nfs/dbraw/zinc/20/96/94/257209694.db2.gz FLZIGGFPJGPBJU-DLBZAZTESA-N 1 0 317.433 1.775 10 0 DDAERO [NH3+]C1(C(=O)NCc2ccccc2Br)CCOCC1 ZINC000127877160 195917779 /nfs/dbraw/zinc/91/77/79/195917779.db2.gz OORLLHGLSUKIOC-UHFFFAOYSA-N 1 0 313.195 1.573 10 0 DDAERO C[C@H](C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1)C1C[NH2+]C1 ZINC000164011369 132129486 /nfs/dbraw/zinc/12/94/86/132129486.db2.gz HFUSWVJNTCRUDK-VIFPVBQESA-N 1 0 309.797 1.836 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)C12CCOCC2 ZINC000249068223 286291123 /nfs/dbraw/zinc/29/11/23/286291123.db2.gz ZSHOCIRPSIOIIS-MGPQQGTHSA-N 1 0 312.454 1.853 10 0 DDAERO CCO[C@@H]1C[C@H]([NH2+]C2CC([N@H+](CC)CC(=O)[O-])C2)C12CCC2 ZINC000263478572 286382273 /nfs/dbraw/zinc/38/22/73/286382273.db2.gz FTKAISMCQSYDKQ-PFSRBDOWSA-N 1 0 310.438 1.861 10 0 DDAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)N2CCOCC2)C12CCOCC2 ZINC000186226048 286387879 /nfs/dbraw/zinc/38/78/79/286387879.db2.gz IUHQMFVJTYTNMD-OWCLPIDISA-N 1 0 312.454 1.271 10 0 DDAERO C[C@H](CC(=O)N1CCOCC1)[NH2+][C@H](C)[C@@H](O)c1ccc(O)cc1 ZINC000013165129 406859183 /nfs/dbraw/zinc/85/91/83/406859183.db2.gz ZVHPHSYDFMZOHV-PBFPGSCMSA-N 1 0 322.405 1.041 10 0 DDAERO CS(=O)(=O)N1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000015073743 406878603 /nfs/dbraw/zinc/87/86/03/406878603.db2.gz XKHFSWKZJHYTGA-INIZCTEOSA-N 1 0 323.462 1.575 10 0 DDAERO [NH3+]Cc1cc(Br)ccc1OCC(=O)NCC1CC1 ZINC000034957929 406966992 /nfs/dbraw/zinc/96/69/92/406966992.db2.gz PJANSLDHPNYBHS-UHFFFAOYSA-N 1 0 313.195 1.813 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000180164383 306694237 /nfs/dbraw/zinc/69/42/37/306694237.db2.gz HMFQJYRBEZJCIE-HNNXBMFYSA-N 1 0 308.470 1.606 10 0 DDAERO CC(C)(C)OC(=O)N1c2ncccc2C2(CC[NH2+]CC2)C1=O ZINC000089222149 407127747 /nfs/dbraw/zinc/12/77/47/407127747.db2.gz BYTLIKRDBLWGGU-UHFFFAOYSA-N 1 0 303.362 1.985 10 0 DDAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)c1cccc(Br)n1 ZINC000095092373 407207154 /nfs/dbraw/zinc/20/71/54/407207154.db2.gz GLGUBDMKASRHHQ-VIFPVBQESA-N 1 0 319.224 1.760 10 0 DDAERO C[N@@H+]1CCC2(C1)CCN(S(=O)(=O)N1CCCCC1)CC2 ZINC000065527545 407244157 /nfs/dbraw/zinc/24/41/57/407244157.db2.gz BBCXOQAGUHHLTH-UHFFFAOYSA-N 1 0 301.456 1.135 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC(=O)Nc1cccnc1 ZINC000102039715 407319372 /nfs/dbraw/zinc/31/93/72/407319372.db2.gz SRQNOFYDYZMWQX-CQSZACIVSA-N 1 0 321.425 1.296 10 0 DDAERO C[C@](O)(C[NH2+][C@H]1CCCc2ccc(F)cc21)CN1CCOCC1 ZINC000097034580 407276249 /nfs/dbraw/zinc/27/62/49/407276249.db2.gz LTJALKOOGZKNER-ROUUACIJSA-N 1 0 322.424 1.876 10 0 DDAERO Cc1ccccc1C(=O)NCC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000097359357 407292273 /nfs/dbraw/zinc/29/22/73/407292273.db2.gz HRRAZIBYVSQJSP-HNNXBMFYSA-N 1 0 319.449 1.817 10 0 DDAERO CCCC(=O)N[C@@H]1CCCN(Cc2ccoc2C(=O)OC)C1 ZINC000101564246 407311070 /nfs/dbraw/zinc/31/10/70/407311070.db2.gz IZBBKQOQFARWLV-CYBMUJFWSA-N 1 0 308.378 1.947 10 0 DDAERO CC(C)N(C(=O)C[N@@H+]1CCCN(c2cccnn2)CC1)C(C)C ZINC000105798293 407355342 /nfs/dbraw/zinc/35/53/42/407355342.db2.gz OCFCLIRDNKDWAE-UHFFFAOYSA-N 1 0 319.453 1.634 10 0 DDAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCCN1CCCC1=O ZINC000106901134 407365893 /nfs/dbraw/zinc/36/58/93/407365893.db2.gz ASJKKXKEBNPZON-INIZCTEOSA-N 1 0 317.433 1.288 10 0 DDAERO CNC(=O)c1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000109005688 407393873 /nfs/dbraw/zinc/39/38/73/407393873.db2.gz VENMSXSEFRCJNW-HNNXBMFYSA-N 1 0 313.405 1.550 10 0 DDAERO CNC(=O)c1ccc(CN2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000109005725 407393920 /nfs/dbraw/zinc/39/39/20/407393920.db2.gz BPNGTPVGKXGUEG-INIZCTEOSA-N 1 0 314.389 1.144 10 0 DDAERO COC(=O)c1cc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c(C)s1 ZINC000151728250 407485492 /nfs/dbraw/zinc/48/54/92/407485492.db2.gz NYAVIUWZXCMSLV-CQSZACIVSA-N 1 0 324.446 1.750 10 0 DDAERO CC(C)(C)n1ncc2c1nc(N1CC[N@@H+]3CCC[C@H]3C1)[nH]c2=O ZINC000253542043 407455588 /nfs/dbraw/zinc/45/55/88/407455588.db2.gz XWMGWIOFFADOQR-NSHDSACASA-N 1 0 316.409 1.571 10 0 DDAERO Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCC[C@@H](C)[NH3+] ZINC000178696639 407551008 /nfs/dbraw/zinc/55/10/08/407551008.db2.gz JPNWOJFVOMLBNA-GFCCVEGCSA-N 1 0 300.406 1.885 10 0 DDAERO COC(=O)c1c(C)[nH]c(C(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000178629832 407515858 /nfs/dbraw/zinc/51/58/58/407515858.db2.gz QOCFKTLFFGGGNB-CYBMUJFWSA-N 1 0 319.405 1.381 10 0 DDAERO CCc1nc(NC(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)sc1C ZINC000178639341 407522088 /nfs/dbraw/zinc/52/20/88/407522088.db2.gz RAMZILGMKGKJBT-GFCCVEGCSA-N 1 0 308.451 1.732 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)NCCN2CCc3sccc3C2)C1 ZINC000170833429 407524957 /nfs/dbraw/zinc/52/49/57/407524957.db2.gz HAUMXVDRUBXHLP-CQSZACIVSA-N 1 0 322.478 1.452 10 0 DDAERO C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170859598 407534742 /nfs/dbraw/zinc/53/47/42/407534742.db2.gz QDBYFHFYUFSMBS-ZFWWWQNUSA-N 1 0 319.405 1.464 10 0 DDAERO CCCNC(=O)[C@H]1CN(C[C@@H]2CCC[NH2+]C2)c2ccccc2O1 ZINC000261764434 407607335 /nfs/dbraw/zinc/60/73/35/407607335.db2.gz DFUSULCJCUVKJE-RHSMWYFYSA-N 1 0 317.433 1.780 10 0 DDAERO COc1cc(N2CCN(C[C@@H]3CCC[NH2+]C3)CC2)ccc1F ZINC000261797891 407618433 /nfs/dbraw/zinc/61/84/33/407618433.db2.gz OYGHMAYTYCZZAL-CQSZACIVSA-N 1 0 307.413 1.956 10 0 DDAERO COc1c(C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c(C)nn1C ZINC000227689856 407636066 /nfs/dbraw/zinc/63/60/66/407636066.db2.gz IAVCEAAULYTWNE-JTQLQIEISA-N 1 0 312.414 1.740 10 0 DDAERO c1nc2ccccc2n1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261867192 407647274 /nfs/dbraw/zinc/64/72/74/407647274.db2.gz CRYINBSHNUUMQC-INMHGKMJSA-N 1 0 314.433 1.783 10 0 DDAERO CSc1nc(C(=O)NC[C@H]2CN(C)CCO2)c2ccccn21 ZINC000171286437 407650293 /nfs/dbraw/zinc/65/02/93/407650293.db2.gz VRYNFANVYRBVIQ-NSHDSACASA-N 1 0 320.418 1.117 10 0 DDAERO C[NH2+][C@@H](C)Cc1noc([C@@H](C)n2nnc(-c3ccccc3)n2)n1 ZINC000261894498 407660908 /nfs/dbraw/zinc/66/09/08/407660908.db2.gz XUOAVGNKHDBVBU-WDEREUQCSA-N 1 0 313.365 1.483 10 0 DDAERO C[C@@H]1CN(C(=O)C2([NH3+])CCOCC2)C[C@H](c2ccc(F)cc2)O1 ZINC000261884607 407653978 /nfs/dbraw/zinc/65/39/78/407653978.db2.gz PRYYYUKNZIEQBJ-IUODEOHRSA-N 1 0 322.380 1.622 10 0 DDAERO C[NH2+][C@@H](C)Cc1noc(CNC(=O)Nc2cccc(C)c2)n1 ZINC000261724957 407592545 /nfs/dbraw/zinc/59/25/45/407592545.db2.gz JUWWKLGXAHWMAM-NSHDSACASA-N 1 0 303.366 1.850 10 0 DDAERO COCC1(CNc2nccc(C(F)(F)F)n2)CC[NH2+]CC1 ZINC000261726374 407593425 /nfs/dbraw/zinc/59/34/25/407593425.db2.gz QSCOGOFMSFXIIT-UHFFFAOYSA-N 1 0 304.316 1.924 10 0 DDAERO CNC(=O)CC[N@H+](C)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000178990111 407683820 /nfs/dbraw/zinc/68/38/20/407683820.db2.gz FGUWDDIMDIQZGD-CYBMUJFWSA-N 1 0 309.797 1.901 10 0 DDAERO NC(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)c1 ZINC000261967239 407695054 /nfs/dbraw/zinc/69/50/54/407695054.db2.gz QDNGMJZWEKLMIE-GVDBMIGSSA-N 1 0 317.433 1.075 10 0 DDAERO CC(C)(C)N1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CC1=O ZINC000262027741 407717000 /nfs/dbraw/zinc/71/70/00/407717000.db2.gz XFWHUTMZJRBYKO-TUVASFSCSA-N 1 0 309.454 1.133 10 0 DDAERO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@@H]1[NH3+] ZINC000235352880 407720413 /nfs/dbraw/zinc/72/04/13/407720413.db2.gz KCWCSPMNSJMIRN-XCBNKYQSSA-N 1 0 309.218 1.961 10 0 DDAERO CCc1csc(N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000262041416 407720820 /nfs/dbraw/zinc/72/08/20/407720820.db2.gz BWXGPQHCFBZSTP-JSGCOSHPSA-N 1 0 322.478 1.790 10 0 DDAERO C[C@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000186618719 407722452 /nfs/dbraw/zinc/72/24/52/407722452.db2.gz UFAWOTIADMCPQS-CYBMUJFWSA-N 1 0 322.453 1.027 10 0 DDAERO COc1cccc(CNC(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171643475 407730578 /nfs/dbraw/zinc/73/05/78/407730578.db2.gz PCRDLUKBZPKARQ-OAHLLOKOSA-N 1 0 303.406 1.091 10 0 DDAERO O[C@@H](COCc1ccccc1F)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171626948 407723733 /nfs/dbraw/zinc/72/37/33/407723733.db2.gz SCUNWPOOBUDDDR-HZPDHXFCSA-N 1 0 308.397 1.483 10 0 DDAERO [NH3+]C[C@H]1CN(c2ncc(Br)cc2Cl)CCO1 ZINC000236188695 407727365 /nfs/dbraw/zinc/72/73/65/407727365.db2.gz RNNZZPPIAYRFNL-QMMMGPOBSA-N 1 0 306.591 1.661 10 0 DDAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)COC)[C@H](C)C1 ZINC000115274424 407664008 /nfs/dbraw/zinc/66/40/08/407664008.db2.gz DCZAVWSVCQVFSN-ILXRZTDVSA-N 1 0 300.443 1.522 10 0 DDAERO CCOCCOc1cc(C)ccc1CNC(=O)[C@@H]([NH3+])COC ZINC000262168497 407756558 /nfs/dbraw/zinc/75/65/58/407756558.db2.gz ANIBAVMOKBSHPA-AWEZNQCLSA-N 1 0 310.394 1.000 10 0 DDAERO [NH3+]CC1(C(=O)Nc2cnn(Cc3ccncc3)c2)CCOCC1 ZINC000262109314 407741718 /nfs/dbraw/zinc/74/17/18/407741718.db2.gz FGWQQLYDYWRRKV-UHFFFAOYSA-N 1 0 315.377 1.020 10 0 DDAERO C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)c1nnc2n1CCCC2 ZINC000131680748 407745522 /nfs/dbraw/zinc/74/55/22/407745522.db2.gz SUNCZABARLWGDV-CYBMUJFWSA-N 1 0 305.426 1.524 10 0 DDAERO CCn1cc(C2CCN(C(=O)C3(C[NH3+])CCOCC3)CC2)cn1 ZINC000262127752 407747829 /nfs/dbraw/zinc/74/78/29/407747829.db2.gz GGTAAMHUOVWFHG-UHFFFAOYSA-N 1 0 320.437 1.365 10 0 DDAERO CNC(=O)[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC000179270579 407764885 /nfs/dbraw/zinc/76/48/85/407764885.db2.gz DLRHGJHJFNXKSH-ZIAGYGMSSA-N 1 0 312.458 1.177 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N[C@H](COc1ccccc1F)C(C)(C)C ZINC000262210407 407766615 /nfs/dbraw/zinc/76/66/15/407766615.db2.gz DWVRLETWEMTAIP-TZMCWYRMSA-N 1 0 312.385 1.709 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1c(C)nn(C)c1OC ZINC000153152687 407766962 /nfs/dbraw/zinc/76/69/62/407766962.db2.gz PEJNXEKGKADNIE-LBPRGKRZSA-N 1 0 309.414 1.021 10 0 DDAERO COC[C@@H]([NH3+])C(=O)NCc1c(C)cc(Br)cc1C ZINC000262267263 407780236 /nfs/dbraw/zinc/78/02/36/407780236.db2.gz JZHGYDAXFABTHI-GFCCVEGCSA-N 1 0 315.211 1.656 10 0 DDAERO Cc1nn(C)c2sc(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)cc12 ZINC000116795953 407780272 /nfs/dbraw/zinc/78/02/72/407780272.db2.gz CQFCTZBHPDFWDK-NSHDSACASA-N 1 0 322.434 1.346 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1nc(-c2sc(C)nc2C)cs1 ZINC000262275461 407782281 /nfs/dbraw/zinc/78/22/81/407782281.db2.gz LAHPIROPCHLEDY-MRVPVSSYSA-N 1 0 312.420 1.796 10 0 DDAERO C[C@@H]1CC[C@@H](C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)O1 ZINC000153260819 407788278 /nfs/dbraw/zinc/78/82/78/407788278.db2.gz JSRUEICEKWXDKQ-PMPSAXMXSA-N 1 0 309.454 1.182 10 0 DDAERO C[NH+](C)C[C@@H]1CN(S(=O)(=O)/C=C/c2ccccc2)CCO1 ZINC000116900811 407796102 /nfs/dbraw/zinc/79/61/02/407796102.db2.gz JMHUPCNZUDDIGH-KUCQQTCKSA-N 1 0 310.419 1.250 10 0 DDAERO CCOC(=O)CN(CC)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000171982680 407798674 /nfs/dbraw/zinc/79/86/74/407798674.db2.gz WTXOYXNADIMDBI-HNNXBMFYSA-N 1 0 306.406 1.571 10 0 DDAERO COC[C@H]([NH3+])C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000262323183 407800173 /nfs/dbraw/zinc/80/01/73/407800173.db2.gz QQSBYPFZEBUMMU-AWEZNQCLSA-N 1 0 319.336 1.603 10 0 DDAERO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1Oc2ccccc2O[C@H]1C ZINC000172057703 407804386 /nfs/dbraw/zinc/80/43/86/407804386.db2.gz ICDAKDZLXLTWKS-OEUWWYETSA-N 1 0 316.401 1.910 10 0 DDAERO C[C@H](Cc1cccs1)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117032805 407805961 /nfs/dbraw/zinc/80/59/61/407805961.db2.gz IZSVCGVDKGNFBF-CHWSQXEVSA-N 1 0 311.451 1.651 10 0 DDAERO CO[C@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000117029685 407807395 /nfs/dbraw/zinc/80/73/95/407807395.db2.gz ACMHHOURJTXEJN-HZPDHXFCSA-N 1 0 321.421 1.346 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C(N)=O)C(C)(C)C ZINC000179615443 407812446 /nfs/dbraw/zinc/81/24/46/407812446.db2.gz YLOYHDIBBDYNMV-OLZOCXBDSA-N 1 0 312.458 1.306 10 0 DDAERO CC[C@H]1CN(C(=O)CC[C@@H]2CCCCO2)CC[N@@H+]1CCOC ZINC000117308369 407825502 /nfs/dbraw/zinc/82/55/02/407825502.db2.gz OEQVPPQZUWHGHD-HOTGVXAUSA-N 1 0 312.454 1.905 10 0 DDAERO Cc1cccc2[nH]c(CCC(=O)N[C@H]3CC[NH2+]C[C@@H]3C)nc21 ZINC000262734518 407912245 /nfs/dbraw/zinc/91/22/45/407912245.db2.gz IJJYSTWFYLPHBV-STQMWFEESA-N 1 0 300.406 1.918 10 0 DDAERO CC(=O)Nc1ccccc1C[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000180235036 407869367 /nfs/dbraw/zinc/86/93/67/407869367.db2.gz NREGQPQCRONNNI-KSSFIOAISA-N 1 0 317.433 1.798 10 0 DDAERO CCC[C@H](C(=O)NCC[C@H]1c2ccccc2NC1=O)[NH+](C)C ZINC000180340255 407878438 /nfs/dbraw/zinc/87/84/38/407878438.db2.gz MNSDKPDSPCJJGK-DZGCQCFKSA-N 1 0 303.406 1.959 10 0 DDAERO COC(=O)C1CCC(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000180347586 407878624 /nfs/dbraw/zinc/87/86/24/407878624.db2.gz JHAWRVGJEUKJJM-BLYZHGLHSA-N 1 0 308.422 1.707 10 0 DDAERO CCc1nn(C)cc1C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000180356112 407879299 /nfs/dbraw/zinc/87/92/99/407879299.db2.gz LRZWZCHGVPPBQK-CYBMUJFWSA-N 1 0 322.453 1.147 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN([C@@H](C(=O)OC)c2ccccc2)CC1 ZINC000173457747 407880900 /nfs/dbraw/zinc/88/09/00/407880900.db2.gz TTWKNWXKZKZUFW-HZPDHXFCSA-N 1 0 306.406 1.289 10 0 DDAERO CSC[C@@H](O)C[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000187878321 407904760 /nfs/dbraw/zinc/90/47/60/407904760.db2.gz LLTVTDIRLKIJTB-JKSUJKDBSA-N 1 0 310.463 1.062 10 0 DDAERO COc1ccc(C[C@H](C)C[NH2+]C[C@H]2CN(C)CCO2)cc1F ZINC000187341482 407845010 /nfs/dbraw/zinc/84/50/10/407845010.db2.gz PQRUXUSMBBLZHP-ZFWWWQNUSA-N 1 0 310.413 1.933 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(CCC(=O)Nc2cccc(F)c2)CC1 ZINC000118857810 407959053 /nfs/dbraw/zinc/95/90/53/407959053.db2.gz FRUJKLCFBQSYOP-MRXNPFEDSA-N 1 0 323.412 1.543 10 0 DDAERO C[C@H](C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000245416302 407969490 /nfs/dbraw/zinc/96/94/90/407969490.db2.gz FAYNUZNFBLZYTD-HRCADAONSA-N 1 0 311.470 1.164 10 0 DDAERO CC[C@H]1CN(C(=O)CCCc2ccccn2)CC[N@@H+]1C[C@@H](C)O ZINC000174624763 407970462 /nfs/dbraw/zinc/97/04/62/407970462.db2.gz WFOQNAVDWCSTGZ-WBVHZDCISA-N 1 0 319.449 1.708 10 0 DDAERO CC[C@H]1CN(C(=O)CCc2c(C)n[nH]c2C)CC[N@@H+]1C[C@@H](C)O ZINC000174641041 407974014 /nfs/dbraw/zinc/97/40/14/407974014.db2.gz ORUJZWQPYDYNNN-DOMZBBRYSA-N 1 0 322.453 1.263 10 0 DDAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000262776002 407925802 /nfs/dbraw/zinc/92/58/02/407925802.db2.gz LTYPMVVZJPBNQK-JQWIXIFHSA-N 1 0 319.430 1.849 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCC(=O)NC(C)C ZINC000175000665 408026885 /nfs/dbraw/zinc/02/68/85/408026885.db2.gz LQVPWKFVLFCZEK-HUUCEWRRSA-N 1 0 309.454 1.767 10 0 DDAERO CN1CC[NH2+]C[C@@H]1c1noc(Cc2cccc(OC(F)F)c2)n1 ZINC000263132057 408035209 /nfs/dbraw/zinc/03/52/09/408035209.db2.gz BTGZPAXFQYQHBD-GFCCVEGCSA-N 1 0 324.331 1.838 10 0 DDAERO CN1CC[NH2+]C[C@H]1c1noc(C[C@@H]2CCc3ccccc3C2)n1 ZINC000263175548 408047232 /nfs/dbraw/zinc/04/72/32/408047232.db2.gz GEZGNMNSZHWUPW-CJNGLKHVSA-N 1 0 312.417 1.993 10 0 DDAERO C[C@H](NC(=O)[C@H]1C[C@H](F)C[NH2+]1)c1ccc(-n2ccnn2)cc1 ZINC000188979613 407990180 /nfs/dbraw/zinc/99/01/80/407990180.db2.gz YKJGSGHMRUQECM-VHRBIJSZSA-N 1 0 303.341 1.145 10 0 DDAERO Cc1cc([C@@H]2CN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)CCO2)ccc1F ZINC000188988321 407990683 /nfs/dbraw/zinc/99/06/83/407990683.db2.gz IWGCZSVQKGGQJN-CFVMTHIKSA-N 1 0 310.344 1.734 10 0 DDAERO CC(C)n1cnnc1[C@H]1CCC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000245535869 408010031 /nfs/dbraw/zinc/01/00/31/408010031.db2.gz KUHDEQKQAOQAFS-LSDHHAIUSA-N 1 0 318.425 1.296 10 0 DDAERO CCOCCN1CCN(C(=O)CC2(O)CCCCC2)C[C@@H]1C ZINC000174951765 408014593 /nfs/dbraw/zinc/01/45/93/408014593.db2.gz ASUDFBIFVIYLFM-HNNXBMFYSA-N 1 0 312.454 1.641 10 0 DDAERO C[C@H](NC(=O)C1CCCC1)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263232529 408066585 /nfs/dbraw/zinc/06/65/85/408066585.db2.gz NPIUFMPOFLCGQD-CMPLNLGQSA-N 1 0 307.398 1.013 10 0 DDAERO CC[C@H]1CN(C(=O)c2ccc(C)c(O)c2)CC[N@@H+]1C[C@H](C)O ZINC000245787501 408068326 /nfs/dbraw/zinc/06/83/26/408068326.db2.gz ZSVJJSWUECWTRV-ZFWWWQNUSA-N 1 0 306.406 1.618 10 0 DDAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1ccc(Cl)cc1Br ZINC000263245806 408072801 /nfs/dbraw/zinc/07/28/01/408072801.db2.gz PGVVFPZUMSDWOW-BXKDBHETSA-N 1 0 319.630 1.772 10 0 DDAERO CC(C)Oc1cccc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)n1 ZINC000263241495 408073966 /nfs/dbraw/zinc/07/39/66/408073966.db2.gz ORZXLINIXBHOGM-LBPRGKRZSA-N 1 0 303.366 1.495 10 0 DDAERO COc1ccc(Cl)cc1Cc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263281148 408086655 /nfs/dbraw/zinc/08/66/55/408086655.db2.gz UHGSMHWLIBGEBZ-LBPRGKRZSA-N 1 0 322.796 1.899 10 0 DDAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1ccc(OC(F)F)c(Cl)c1 ZINC000263192653 408054240 /nfs/dbraw/zinc/05/42/40/408054240.db2.gz ICLCVFDAQXGOJC-GXSJLCMTSA-N 1 0 306.740 1.611 10 0 DDAERO Cc1ccn(C)c1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000189996240 408142564 /nfs/dbraw/zinc/14/25/64/408142564.db2.gz YXDSRFNNCFCMPH-AWEZNQCLSA-N 1 0 307.438 1.498 10 0 DDAERO COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CCS[C@@H](C)C2)CC1 ZINC000246123681 408147047 /nfs/dbraw/zinc/14/70/47/408147047.db2.gz LNLUGXXMFISAFW-NWDGAFQWSA-N 1 0 314.451 1.224 10 0 DDAERO COCCOc1cccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000120977304 408149261 /nfs/dbraw/zinc/14/92/61/408149261.db2.gz NLGNCUNBKGENJO-KRWDZBQOSA-N 1 0 320.433 1.618 10 0 DDAERO CCN1CCC[C@@H]1C[N@H+](C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000246139790 408151173 /nfs/dbraw/zinc/15/11/73/408151173.db2.gz BRTCNICYKBOATK-HUUCEWRRSA-N 1 0 317.499 1.074 10 0 DDAERO COc1ccc(CNC(=O)CN2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000246147655 408154651 /nfs/dbraw/zinc/15/46/51/408154651.db2.gz FQHQMZLCSGNHGY-INIZCTEOSA-N 1 0 317.433 1.482 10 0 DDAERO CC[N@H+](CC(=O)[O-])C1CC(NCc2cc(OC)ccc2OC)C1 ZINC000263516801 408160949 /nfs/dbraw/zinc/16/09/49/408160949.db2.gz PBFGATGTOUFNPW-UHFFFAOYSA-N 1 0 322.405 1.731 10 0 DDAERO CN1CCO[C@@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000124187262 161825261 /nfs/dbraw/zinc/82/52/61/161825261.db2.gz ZZWYTSLFSKVPDX-NRXISQOPSA-N 1 0 312.454 1.807 10 0 DDAERO COC[C@@H](C)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000175658887 408181664 /nfs/dbraw/zinc/18/16/64/408181664.db2.gz QDZVPUOLWBVFBC-OAHLLOKOSA-N 1 0 312.454 1.668 10 0 DDAERO C[N@H+](CCNC(=O)N[C@@H]1CCCC[C@@H]1CO)Cc1ccccc1 ZINC000175994789 408260574 /nfs/dbraw/zinc/26/05/74/408260574.db2.gz YWGKWIHZHMCZLZ-IAGOWNOFSA-N 1 0 319.449 1.969 10 0 DDAERO Cn1ccc2cccc(NC(=O)C(=O)N3CC[C@@H]([NH+](C)C)C3)c21 ZINC000190507457 408262912 /nfs/dbraw/zinc/26/29/12/408262912.db2.gz RXDRANLZVFKZNB-CYBMUJFWSA-N 1 0 314.389 1.279 10 0 DDAERO CCOCC[N@@H+]1CCN(CCNC(=O)OC(C)(C)C)C[C@H]1C ZINC000246465158 408263767 /nfs/dbraw/zinc/26/37/67/408263767.db2.gz MJOQPQTXMNURMU-CQSZACIVSA-N 1 0 315.458 1.554 10 0 DDAERO Cc1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1F ZINC000150779040 408198867 /nfs/dbraw/zinc/19/88/67/408198867.db2.gz ZSHWDORFCOAJTG-WFASDCNBSA-N 1 0 321.396 1.918 10 0 DDAERO Cc1nc2n(n1)CCC[C@H]2NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000175763714 408199170 /nfs/dbraw/zinc/19/91/70/408199170.db2.gz XBAJVOQDCYUBSJ-CQSZACIVSA-N 1 0 320.441 1.595 10 0 DDAERO COc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)[C@H]2CCCO2)cc1 ZINC000183088379 408323182 /nfs/dbraw/zinc/32/31/82/408323182.db2.gz AFULVYUVPOXBDT-XJKSGUPXSA-N 1 0 306.406 1.811 10 0 DDAERO COCc1cccc(CNC(=O)C[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000183110846 408329027 /nfs/dbraw/zinc/32/90/27/408329027.db2.gz RAJXYEYYTPTEMU-BBRMVZONSA-N 1 0 306.406 1.606 10 0 DDAERO Cc1ccc2ncnc(NC[C@H](O)CN3CCOCC3)c2c1 ZINC000269343526 408275536 /nfs/dbraw/zinc/27/55/36/408275536.db2.gz HODCNMLTABOVKI-ZDUSSCGKSA-N 1 0 302.378 1.043 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@H](COCCOC)C2)C1 ZINC000246583065 408297217 /nfs/dbraw/zinc/29/72/17/408297217.db2.gz ZVKOHFMMQUACJQ-HUUCEWRRSA-N 1 0 313.442 1.165 10 0 DDAERO CCOC(=O)C1CCC(O)(C[N@H+](C)CCn2cccn2)CC1 ZINC000190883103 408334915 /nfs/dbraw/zinc/33/49/15/408334915.db2.gz SVUOBGHCQSPEGQ-UHFFFAOYSA-N 1 0 309.410 1.299 10 0 DDAERO CC(C)(C)n1cc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)nn1 ZINC000190972243 408350533 /nfs/dbraw/zinc/35/05/33/408350533.db2.gz HQOCEACYMVYJHX-ZDUSSCGKSA-N 1 0 315.425 1.582 10 0 DDAERO C[C@H](NC(=O)NCC1CC[NH+](C)CC1)c1nnc2n1CCCC2 ZINC000138973432 162131173 /nfs/dbraw/zinc/13/11/73/162131173.db2.gz JZMMVXGNWBGUCT-LBPRGKRZSA-N 1 0 320.441 1.316 10 0 DDAERO COc1ccc2c(c1)OC[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)C2 ZINC000170864105 162196709 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CCCCN(C(=O)CC[C@H](C)CC[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000079118296 185159412 /nfs/dbraw/zinc/15/94/12/185159412.db2.gz BVAGLBUOJQVSBG-KBPBESRZSA-N 1 0 318.483 1.567 10 0 DDAERO CC(C)(C)[C@@H](CC[NH3+])CCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000079288605 185163518 /nfs/dbraw/zinc/16/35/18/185163518.db2.gz FVPIRHJHGCQIQO-NEPJUHHUSA-N 1 0 304.456 1.081 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H](CO)Cc1ccccc1 ZINC000079144891 185160175 /nfs/dbraw/zinc/16/01/75/185160175.db2.gz UYIJSAPDKYXJQG-SJORKVTESA-N 1 0 321.465 1.866 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCNC(=O)C(C)C ZINC000079255620 185162665 /nfs/dbraw/zinc/16/26/65/185162665.db2.gz SKFDZSZCXXQASJ-CYBMUJFWSA-N 1 0 300.447 1.034 10 0 DDAERO O[C@@H]1C[NH2+]C[C@@H]1Oc1ccccc1I ZINC000082524993 185190961 /nfs/dbraw/zinc/19/09/61/185190961.db2.gz JHBKXIXCUWKWDR-SCZZXKLOSA-N 1 0 305.115 1.003 10 0 DDAERO CCC[C@H](C[NH3+])NS(=O)(=O)c1cc(NC(C)=O)ccc1C ZINC000087404017 185223857 /nfs/dbraw/zinc/22/38/57/185223857.db2.gz IMENNMZDRBXRBG-CYBMUJFWSA-N 1 0 313.423 1.359 10 0 DDAERO CCC[C@H](C[NH3+])C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2 ZINC000087518905 185227388 /nfs/dbraw/zinc/22/73/88/185227388.db2.gz UZLNLABHIFZEAS-MRVPVSSYSA-N 1 0 311.769 1.984 10 0 DDAERO O=c1cc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)nc2ccccn12 ZINC000152515876 539201384 /nfs/dbraw/zinc/20/13/84/539201384.db2.gz FZHNJMQJWHHGBG-INIZCTEOSA-N 1 0 322.368 1.743 10 0 DDAERO C[NH2+][C@H]1c2ccccc2CCC[C@@H]1S(=O)(=O)CC(=O)OC ZINC000081975614 192347750 /nfs/dbraw/zinc/34/77/50/192347750.db2.gz FPFZFZKWGBNOLZ-ZFWWWQNUSA-N 1 0 311.403 1.240 10 0 DDAERO COCCN(CC(C)C)c1nc(NN)[nH+]cc1Br ZINC000087866209 185233936 /nfs/dbraw/zinc/23/39/36/185233936.db2.gz ZYQOHYMXQKNPNG-UHFFFAOYSA-N 1 0 318.219 1.634 10 0 DDAERO [NH3+]C[C@@H](c1cccc(Br)c1)N1CCCNC(=O)C1 ZINC000087883269 185234311 /nfs/dbraw/zinc/23/43/11/185234311.db2.gz SDHBBIXNHIOTEX-LBPRGKRZSA-N 1 0 312.211 1.271 10 0 DDAERO CCC[NH2+][C@H]1CCCCC[C@H]1S(=O)(=O)CC(=O)OCC ZINC000081977703 192348001 /nfs/dbraw/zinc/34/80/01/192348001.db2.gz GBFPBFPIFXMMET-QWHCGFSZSA-N 1 0 305.440 1.665 10 0 DDAERO CCCCS(=O)(=O)C[C@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000081973974 192348107 /nfs/dbraw/zinc/34/81/07/192348107.db2.gz AOAGNTSJPVHZJO-LBPRGKRZSA-N 1 0 301.408 1.919 10 0 DDAERO CCOC(=O)CS(=O)(=O)C[C@H]([NH2+]C)c1ccc(C)cc1C ZINC000081977140 192348197 /nfs/dbraw/zinc/34/81/97/192348197.db2.gz MFBHPJZTVDGYIE-AWEZNQCLSA-N 1 0 313.419 1.542 10 0 DDAERO COC(=O)CCS(=O)(=O)[C@@H](C(C)C)[C@H]([NH3+])c1ccccc1 ZINC000081974477 192348432 /nfs/dbraw/zinc/34/84/32/192348432.db2.gz NYOHOWKYZMPPAX-CABCVRRESA-N 1 0 313.419 1.689 10 0 DDAERO C[C@@H]([NH2+]CC(=O)N1CCN(Cc2ccco2)CC1)[C@@H]1CCCO1 ZINC000183116550 539241035 /nfs/dbraw/zinc/24/10/35/539241035.db2.gz OYUBAPGHJDNYGV-ZBFHGGJFSA-N 1 0 321.421 1.081 10 0 DDAERO CNC(=O)[C@H]([NH2+]C[C@H](O)COc1c(C)ccc(C)c1C)C(C)C ZINC000183633194 539242476 /nfs/dbraw/zinc/24/24/76/539242476.db2.gz FLYPFSZGUNGBBQ-JKSUJKDBSA-N 1 0 322.449 1.712 10 0 DDAERO O=S(=O)(N1CCCCC1)N1CC[NH2+]CC12CCCCC2 ZINC000088396164 185248527 /nfs/dbraw/zinc/24/85/27/185248527.db2.gz JKWOBTQTTBAMQR-UHFFFAOYSA-N 1 0 301.456 1.325 10 0 DDAERO C[C@](CC[N@@H+]1CCC[C@H](C(F)(F)F)C1)(NC1CC1)C(N)=O ZINC000088435096 185250003 /nfs/dbraw/zinc/25/00/03/185250003.db2.gz FHXWLGQVZXAUKJ-GXFFZTMASA-N 1 0 307.360 1.647 10 0 DDAERO COC[C@@H](C)N(C)S(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000088544134 185256922 /nfs/dbraw/zinc/25/69/22/185256922.db2.gz JOZKCQLYHUUJBO-LLVKDONJSA-N 1 0 318.439 1.823 10 0 DDAERO CC[NH2+][C@H](Cc1nc2ccccc2o1)[C@H]1CCS(=O)(=O)C1 ZINC000088518465 185254759 /nfs/dbraw/zinc/25/47/59/185254759.db2.gz VRPNTYMKFOULOC-WCQYABFASA-N 1 0 308.403 1.783 10 0 DDAERO C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000088539509 185255551 /nfs/dbraw/zinc/25/55/51/185255551.db2.gz WJAWRKCIRCLJFQ-SNVBAGLBSA-N 1 0 312.366 1.787 10 0 DDAERO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C=O)o1 ZINC000088541623 185255756 /nfs/dbraw/zinc/25/57/56/185255756.db2.gz OIPJCYYFKUPJQF-UHFFFAOYSA-N 1 0 300.380 1.054 10 0 DDAERO [NH3+][C@@H]1CCOC[C@@H]1S(=O)(=O)c1cccc(Br)c1 ZINC000081982642 192348819 /nfs/dbraw/zinc/34/88/19/192348819.db2.gz MQXRRWUXFPQOPR-MNOVXSKESA-N 1 0 320.208 1.339 10 0 DDAERO Cc1cc(C)c2c(N)c(C(=O)N[C@H]3CC[N@@H+](C)C3)sc2n1 ZINC000088641680 185261029 /nfs/dbraw/zinc/26/10/29/185261029.db2.gz WAJLSHJCNNWVNR-JTQLQIEISA-N 1 0 304.419 1.929 10 0 DDAERO C[C@@H](c1cccc(C(F)(F)F)c1)N1CC[NH2+]C[C@@H]1C(N)=O ZINC000088659317 185261704 /nfs/dbraw/zinc/26/17/04/185261704.db2.gz BKMFUOFIVWEHMH-JOYOIKCWSA-N 1 0 301.312 1.526 10 0 DDAERO Cc1ccccc1S(=O)(=O)[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000081978398 192349499 /nfs/dbraw/zinc/34/94/99/192349499.db2.gz NJQPUNAWQQTEHC-GXTWGEPZSA-N 1 0 311.403 1.392 10 0 DDAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000090312139 185290414 /nfs/dbraw/zinc/29/04/14/185290414.db2.gz OKGPFHQAQYRDQR-TUAOUCFPSA-N 1 0 302.296 1.940 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000090312807 185290662 /nfs/dbraw/zinc/29/06/62/185290662.db2.gz RFOUDHGLLUYJOU-XSSZXYGBSA-N 1 0 310.828 1.185 10 0 DDAERO CC(C)Cc1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000090321812 185290856 /nfs/dbraw/zinc/29/08/56/185290856.db2.gz GRXJMPBYOUBWEZ-HUUCEWRRSA-N 1 0 308.447 1.725 10 0 DDAERO [NH3+][C@H]1COC[C@H]1c1nc(Cc2cccc(Br)c2)no1 ZINC000090364424 185292751 /nfs/dbraw/zinc/29/27/51/185292751.db2.gz OGOLROUZDRVRAR-MNOVXSKESA-N 1 0 324.178 1.864 10 0 DDAERO CC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cc(Cl)ccc1N(C)C ZINC000090489463 185298840 /nfs/dbraw/zinc/29/88/40/185298840.db2.gz FVIXECVRRKFHIC-AAEUAGOBSA-N 1 0 311.813 1.969 10 0 DDAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)N(C)Cc1ccc(SC)cc1 ZINC000090489896 185299018 /nfs/dbraw/zinc/29/90/18/185299018.db2.gz CGCSEDRYHMJZEW-HUUCEWRRSA-N 1 0 308.447 1.991 10 0 DDAERO [NH3+][C@@H]1COC[C@H]1C(=O)Nc1cc(Cl)ccc1-n1cccn1 ZINC000090381442 185293597 /nfs/dbraw/zinc/29/35/97/185293597.db2.gz ZNDCUIJTENHDAL-GHMZBOCLSA-N 1 0 306.753 1.438 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(NC(C)=O)c(Cl)c1 ZINC000090433158 185296182 /nfs/dbraw/zinc/29/61/82/185296182.db2.gz WLRDCTKBITVYEH-ZWNOBZJWSA-N 1 0 311.769 1.471 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000090436597 185296432 /nfs/dbraw/zinc/29/64/32/185296432.db2.gz WPVWKCNLPWMDGL-NXEZZACHSA-N 1 0 312.391 1.324 10 0 DDAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)NCc1cc2c(s1)CCC2 ZINC000090543159 185302044 /nfs/dbraw/zinc/30/20/44/185302044.db2.gz MDXXMUXSMURIBH-KGLIPLIRSA-N 1 0 308.447 1.868 10 0 DDAERO CC(C)[C@H](CO)[NH2+]Cc1cnc2cnc(Br)cn12 ZINC000092394085 185315610 /nfs/dbraw/zinc/31/56/10/185315610.db2.gz MWRRDRMNABIBLS-JTQLQIEISA-N 1 0 313.199 1.598 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)/C=C\c2ccc3c(c2)OCO3)CCO1 ZINC000255299921 282244985 /nfs/dbraw/zinc/24/49/85/282244985.db2.gz GRZDTUOVLLHBDT-SDQPKGBYSA-N 1 0 318.373 1.218 10 0 DDAERO CN(C[C@H]1CCC[N@@H+]1C)c1nc(Cl)nc(-n2ccnc2)n1 ZINC000092665028 185332494 /nfs/dbraw/zinc/33/24/94/185332494.db2.gz CQTJYGBDNMDRFW-SNVBAGLBSA-N 1 0 307.789 1.241 10 0 DDAERO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(F)c(N)c1 ZINC000092621838 185329728 /nfs/dbraw/zinc/32/97/28/185329728.db2.gz HMNFYQVJSSBTMK-JTQLQIEISA-N 1 0 301.387 1.123 10 0 DDAERO CCn1cnc(S(=O)(=O)N[C@@]2(C[NH3+])CCC[C@@H](C)C2)c1 ZINC000092910899 185348648 /nfs/dbraw/zinc/34/86/48/185348648.db2.gz BGRQHACQLVRVCQ-YPMHNXCESA-N 1 0 300.428 1.089 10 0 DDAERO CCn1cnc(S(=O)(=O)N(C)[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000092910643 185348711 /nfs/dbraw/zinc/34/87/11/185348711.db2.gz RVLQCDHAYYREMI-NEPJUHHUSA-N 1 0 300.428 1.041 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(N(C)C)cc2)C[C@H]1C ZINC000181413855 199293273 /nfs/dbraw/zinc/29/32/73/199293273.db2.gz XTNJRNBGKQUXQN-ZIAGYGMSSA-N 1 0 320.437 1.671 10 0 DDAERO COc1ccc(/C=C\C(=O)N2CC[C@H]([NH+](C)C)C2)cc1OC ZINC000255715540 282276244 /nfs/dbraw/zinc/27/62/44/282276244.db2.gz NKAHMHYXBUXFEM-QPBFKRLHSA-N 1 0 304.390 1.880 10 0 DDAERO COCC[N@@H+]1CCN(Cc2ncn(-c3ccccc3)n2)C[C@@H]1C ZINC000181562148 199317485 /nfs/dbraw/zinc/31/74/85/199317485.db2.gz BBRHRZUKICCCOB-HNNXBMFYSA-N 1 0 315.421 1.420 10 0 DDAERO CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000262608304 282291208 /nfs/dbraw/zinc/29/12/08/282291208.db2.gz HJLKIWWYAFUEEP-BYNSBNAKSA-N 1 0 309.454 1.657 10 0 DDAERO COC(=O)CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000181629625 199329396 /nfs/dbraw/zinc/32/93/96/199329396.db2.gz AKNRNNOBKQHIDE-BDAKNGLRSA-N 1 0 300.305 1.293 10 0 DDAERO COC(=O)CNC(=O)CC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000181630749 199329982 /nfs/dbraw/zinc/32/99/82/199329982.db2.gz HHBUBFQTABGFKJ-VIFPVBQESA-N 1 0 300.305 1.295 10 0 DDAERO CCc1nn(CC)c(C[C@]2(CO)CC[NH2+]C2)c1Br ZINC000097154433 185416595 /nfs/dbraw/zinc/41/65/95/185416595.db2.gz PSKYSRLSDRLDLM-CYBMUJFWSA-N 1 0 316.243 1.742 10 0 DDAERO CO[C@@H]1CCN(S(=O)(=O)c2cc(F)ccc2F)[C@@H](C[NH3+])C1 ZINC000226418020 201779957 /nfs/dbraw/zinc/77/99/57/201779957.db2.gz DKLZLYAUKIFNOB-GHMZBOCLSA-N 1 0 320.361 1.092 10 0 DDAERO CN(CC1CC1)C(=O)CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261864813 282387333 /nfs/dbraw/zinc/38/73/33/282387333.db2.gz WUIVPIIFWXDQAK-SJORKVTESA-N 1 0 301.434 1.529 10 0 DDAERO O=C(N(C[C@H]1CCOC1)C1CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111245241 185562931 /nfs/dbraw/zinc/56/29/31/185562931.db2.gz OVUTZXSIBYBRDX-MFKMUULPSA-N 1 0 306.328 1.556 10 0 DDAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@@H](c2nn[nH]n2)C1 ZINC000616629502 362763273 /nfs/dbraw/zinc/76/32/73/362763273.db2.gz MUXQZSKAYRWUDS-LLVKDONJSA-N 1 0 310.402 1.294 10 0 DDAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@H]1c1ccc(N)cc1 ZINC000616636531 362764276 /nfs/dbraw/zinc/76/42/76/362764276.db2.gz VKIXDJZFBYDDTO-HNNXBMFYSA-N 1 0 320.437 1.740 10 0 DDAERO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000070170393 190866147 /nfs/dbraw/zinc/86/61/47/190866147.db2.gz WROKFPGRBAAACC-VIFPVBQESA-N 1 0 322.352 1.853 10 0 DDAERO Cc1nc(S(=O)(=O)N2CCCC[C@H]2C[NH2+]C(C)(C)C)c[nH]1 ZINC000070421194 190888483 /nfs/dbraw/zinc/88/84/83/190888483.db2.gz ODPXFYOINKBDMD-LBPRGKRZSA-N 1 0 314.455 1.649 10 0 DDAERO CC[C@H](C[NH3+])NC(=O)c1cccc(I)c1 ZINC000083566061 192373174 /nfs/dbraw/zinc/37/31/74/192373174.db2.gz DTXUJYQZDTWBEX-SNVBAGLBSA-N 1 0 318.158 1.758 10 0 DDAERO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000083736904 192380870 /nfs/dbraw/zinc/38/08/70/192380870.db2.gz VATWEIKSTGAGEY-RDBSUJKOSA-N 1 0 320.441 1.593 10 0 DDAERO [NH3+][C@H](C[S@](=O)C1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000084054358 192397316 /nfs/dbraw/zinc/39/73/16/192397316.db2.gz JSCZYTAZJWKSEF-LRTDBIEQSA-N 1 0 311.403 1.385 10 0 DDAERO CCC[NH2+][C@H](C)CC[S@@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084056402 192397878 /nfs/dbraw/zinc/39/78/78/192397878.db2.gz CONYOAWJLZJURN-BLVKFPJESA-N 1 0 317.476 1.976 10 0 DDAERO NC(=O)CSc1ccccc1NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000083896803 192390754 /nfs/dbraw/zinc/39/07/54/192390754.db2.gz LXSGEJZZBSZFGN-LBPRGKRZSA-N 1 0 307.419 1.735 10 0 DDAERO CCC[NH2+][C@](C)(C[C@H](C)n1cc(Br)cn1)C(N)=O ZINC000084363906 192425361 /nfs/dbraw/zinc/42/53/61/192425361.db2.gz ZQGSXMCHPFTBSK-JOYOIKCWSA-N 1 0 317.231 1.840 10 0 DDAERO CS(=O)(=O)N1CCCc2cc(C(=O)[C@@H]3CCC[NH2+]C3)ccc21 ZINC000071665774 191001276 /nfs/dbraw/zinc/00/12/76/191001276.db2.gz LAHUHIZBCZLFND-CQSZACIVSA-N 1 0 322.430 1.581 10 0 DDAERO CC(=O)c1sc(NC(=O)Cc2csc(CC[NH3+])n2)nc1C ZINC000071696435 191008759 /nfs/dbraw/zinc/00/87/59/191008759.db2.gz GPTOWODELVZSAH-UHFFFAOYSA-N 1 0 324.431 1.793 10 0 DDAERO COC(=O)[C@]1(C)CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000177888081 186199242 /nfs/dbraw/zinc/19/92/42/186199242.db2.gz LPXCBIHNEDBYOK-CRAIPNDOSA-N 1 0 318.417 1.571 10 0 DDAERO Cc1ccc(C[NH2+][C@H]2CCOC[C@@H]2O)cc1Br ZINC000623767625 366047032 /nfs/dbraw/zinc/04/70/32/366047032.db2.gz YURHUHWBQURGGU-STQMWFEESA-N 1 0 300.196 1.997 10 0 DDAERO COc1ccc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1O ZINC000172250271 198065296 /nfs/dbraw/zinc/06/52/96/198065296.db2.gz 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CC[C@H](NC(=O)C[NH2+]C)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000262726459 203394060 /nfs/dbraw/zinc/39/40/60/203394060.db2.gz ASMKDKBCPAVBCB-GOEBONIOSA-N 1 0 301.394 1.290 10 0 DDAERO CC(C)[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCOCCOC(C)C ZINC000093620977 193275052 /nfs/dbraw/zinc/27/50/52/193275052.db2.gz YKBDHOUPWDXQMZ-GDBMZVCRSA-N 1 0 300.443 1.840 10 0 DDAERO CS(=O)(=O)c1cccc(OCC[C@H]2CCC[C@]2([NH3+])CO)c1 ZINC000093621838 193275617 /nfs/dbraw/zinc/27/56/17/193275617.db2.gz CHTXYWVEHFPYHM-DOMZBBRYSA-N 1 0 313.419 1.349 10 0 DDAERO CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCSc1ncccn1 ZINC000093629545 193276845 /nfs/dbraw/zinc/27/68/45/193276845.db2.gz RDPSRNWBOPIQTJ-DOMZBBRYSA-N 1 0 308.451 1.981 10 0 DDAERO CN(C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc(C[NH3+])c1 ZINC000093695997 193291853 /nfs/dbraw/zinc/29/18/53/193291853.db2.gz DDORCFNPFSHBHD-AWEZNQCLSA-N 1 0 311.451 1.253 10 0 DDAERO CS(=O)(=O)N1CCC[C@H](COC[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000093697849 193292662 /nfs/dbraw/zinc/29/26/62/193292662.db2.gz 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/nfs/dbraw/zinc/34/57/20/193345720.db2.gz YTUKVYIMKQDNJD-ZIAGYGMSSA-N 1 0 306.406 1.845 10 0 DDAERO CC[C@](C)([NH3+])C(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000094233590 193352865 /nfs/dbraw/zinc/35/28/65/193352865.db2.gz OYKLCSHNQYKTNA-LBPRGKRZSA-N 1 0 306.334 1.749 10 0 DDAERO CC[NH2+][C@H](Cc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 ZINC000094713197 193392980 /nfs/dbraw/zinc/39/29/80/193392980.db2.gz DEEMZULDPFVMRJ-DGCLKSJQSA-N 1 0 303.374 1.920 10 0 DDAERO Cc1ccc(F)cc1S(=O)(=O)N[C@@H]1CC[C@H](C)[NH2+][C@@H]1C ZINC000094665774 193390770 /nfs/dbraw/zinc/39/07/70/193390770.db2.gz FYXNJZWLVJTCHJ-DMDPSCGWSA-N 1 0 300.399 1.941 10 0 DDAERO O=S1(=O)CC[C@@H]([C@@H](C[NH2+]C2CC2)Cc2cccc(O)c2)C1 ZINC000094688053 193391712 /nfs/dbraw/zinc/39/17/12/193391712.db2.gz FVWKLCRVRMDBMO-ZIAGYGMSSA-N 1 0 309.431 1.738 10 0 DDAERO O=S1(=O)CCC([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000094367966 193366435 /nfs/dbraw/zinc/36/64/35/193366435.db2.gz PQTLXDIQIXBURW-OLZOCXBDSA-N 1 0 305.465 1.208 10 0 DDAERO C(C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)CN1CCOCC1 ZINC000094367268 193366688 /nfs/dbraw/zinc/36/66/88/193366688.db2.gz ODRXNDVODDXACQ-CABCVRRESA-N 1 0 300.468 1.353 10 0 DDAERO CC(C)(C(N)=S)[NH+]1CCN([C@H]2CCOC3(CCC3)C2)CC1 ZINC000094376081 193367172 /nfs/dbraw/zinc/36/71/72/193367172.db2.gz QPKVGUQLAKOPJK-ZDUSSCGKSA-N 1 0 311.495 1.770 10 0 DDAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C1(C(N)=S)CCCC1 ZINC000094447285 193370719 /nfs/dbraw/zinc/37/07/19/193370719.db2.gz OBDNYNOIAUMUBP-QWHCGFSZSA-N 1 0 309.479 1.918 10 0 DDAERO Cn1ncc2c1nc(CN1CC[N@@H+]3CCC[C@@H]3C1)nc2Cl ZINC000094460475 193371907 /nfs/dbraw/zinc/37/19/07/193371907.db2.gz XWYRBZGCNZXTFL-SNVBAGLBSA-N 1 0 306.801 1.297 10 0 DDAERO [NH3+][C@@H](Cc1cc(Br)cs1)[C@@H]1CN2CCN1CC2 ZINC000094508086 193375444 /nfs/dbraw/zinc/37/54/44/193375444.db2.gz VDSPKAORXNGHJS-RYUDHWBXSA-N 1 0 316.268 1.380 10 0 DDAERO Brc1cccn2nc(N3C[C@H]4C[NH2+]C[C@@H]4C3)nc12 ZINC000094609062 193384373 /nfs/dbraw/zinc/38/43/73/193384373.db2.gz MLYORWZMIQRJKG-RKDXNWHRSA-N 1 0 308.183 1.147 10 0 DDAERO CC[C@@H](CC[NH3+])CNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000094962357 193409433 /nfs/dbraw/zinc/40/94/33/193409433.db2.gz XCAYNNOFADIOAA-LBPRGKRZSA-N 1 0 313.423 1.298 10 0 DDAERO CC[NH2+][C@@H]1CCOC[C@@H]1S(=O)(=O)Cc1cc(C)cc(C)c1 ZINC000094719799 193393636 /nfs/dbraw/zinc/39/36/36/193393636.db2.gz NKMXMLKOIDINQR-CVEARBPZSA-N 1 0 311.447 1.985 10 0 DDAERO CS(=O)(=O)c1ccccc1NC(=O)[C@H]1CCCCC[C@H]1[NH3+] ZINC000094750702 193395264 /nfs/dbraw/zinc/39/52/64/193395264.db2.gz UNFSHJMPDSARKI-NWDGAFQWSA-N 1 0 310.419 1.936 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(N)c(F)cc1C ZINC000094779057 193396110 /nfs/dbraw/zinc/39/61/10/193396110.db2.gz DHTNKCNSIVIRBI-LLVKDONJSA-N 1 0 315.414 1.479 10 0 DDAERO CO[C@H]([C@H](NN)c1c(Cl)cnn1CC[NH+](C)C)C(C)(C)C ZINC000097652159 193743022 /nfs/dbraw/zinc/74/30/22/193743022.db2.gz SNDINWABERAXDK-DGCLKSJQSA-N 1 0 317.865 1.664 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000021054995 182264304 /nfs/dbraw/zinc/26/43/04/182264304.db2.gz JBVHAVQAQUVPQK-UHFFFAOYSA-N 1 0 302.399 1.892 10 0 DDAERO CO[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(Br)s1 ZINC000036235526 182810347 /nfs/dbraw/zinc/81/03/47/182810347.db2.gz JIKXDNGGCNXYRH-RQJHMYQMSA-N 1 0 305.197 1.227 10 0 DDAERO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)c(N)c2)C1 ZINC000040501815 183083422 /nfs/dbraw/zinc/08/34/22/183083422.db2.gz OBSHRSDSVWYXDJ-JTQLQIEISA-N 1 0 317.842 1.685 10 0 DDAERO Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1N ZINC000040621005 183109424 /nfs/dbraw/zinc/10/94/24/183109424.db2.gz LGTYJHDZVIAWJP-CYBMUJFWSA-N 1 0 311.451 1.586 10 0 DDAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000040630273 183110694 /nfs/dbraw/zinc/11/06/94/183110694.db2.gz SEQQGPMDCSUJNS-IUCAKERBSA-N 1 0 300.261 1.324 10 0 DDAERO Nc1cccc(CS(=O)(=O)NCC[NH+]2CCCCCC2)c1 ZINC000040767282 183131887 /nfs/dbraw/zinc/13/18/87/183131887.db2.gz YBQHDVOXNMCFDQ-UHFFFAOYSA-N 1 0 311.451 1.564 10 0 DDAERO C[NH+](C)CC1CCN(S(=O)(=O)c2cc(N)cs2)CC1 ZINC000041068414 183162686 /nfs/dbraw/zinc/16/26/86/183162686.db2.gz LVTCKOLQFKKTJV-UHFFFAOYSA-N 1 0 303.453 1.293 10 0 DDAERO CCOc1cc(Cl)c([C@@H]([NH3+])COCC(N)=O)cc1OCC ZINC000041072147 183163266 /nfs/dbraw/zinc/16/32/66/183163266.db2.gz CCYMOIUQUSFUSR-NSHDSACASA-N 1 0 316.785 1.639 10 0 DDAERO CN(C)S(=O)(=O)NCCCCC[N@H+](C)C1CCCCC1 ZINC000041564938 183202995 /nfs/dbraw/zinc/20/29/95/183202995.db2.gz CZODOPGNVVSSKP-UHFFFAOYSA-N 1 0 305.488 1.817 10 0 DDAERO CCCN(CC[NH+](C)C)S(=O)(=O)c1ccnc(Cl)c1 ZINC000041679128 183216447 /nfs/dbraw/zinc/21/64/47/183216447.db2.gz RGIBQKSOQHLNOX-UHFFFAOYSA-N 1 0 305.831 1.697 10 0 DDAERO CS(=O)(=O)c1ccc(Cl)c(NC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000042166636 183238201 /nfs/dbraw/zinc/23/82/01/183238201.db2.gz BTGQLVWLGSPZAQ-SECBINFHSA-N 1 0 316.810 1.824 10 0 DDAERO [NH3+]Cc1cccc(Br)c1OC[C@H]1CNC(=O)O1 ZINC000042411396 183265504 /nfs/dbraw/zinc/26/55/04/183265504.db2.gz CGGPKAZMTYRJBU-MRVPVSSYSA-N 1 0 301.140 1.395 10 0 DDAERO CC[NH2+]CCCN1c2cc(Br)ccc2C(=O)C1=O ZINC000042410170 183265566 /nfs/dbraw/zinc/26/55/66/183265566.db2.gz GULWXEJWQBNJAH-UHFFFAOYSA-N 1 0 311.179 1.978 10 0 DDAERO CC[C@@H](C)N(CCOC)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000042589071 183288445 /nfs/dbraw/zinc/28/84/45/183288445.db2.gz CZVHGUFCFDBYQP-CYBMUJFWSA-N 1 0 314.451 1.722 10 0 DDAERO COC(=O)[C@H](C)CN(C)S(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000042707831 183300116 /nfs/dbraw/zinc/30/01/16/183300116.db2.gz IWAVBQHRUAGXMQ-GHMZBOCLSA-N 1 0 314.407 1.136 10 0 DDAERO COC(=O)CN(C(C)C)S(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000042718673 183301829 /nfs/dbraw/zinc/30/18/29/183301829.db2.gz HDURDRCUJXWDNB-NSHDSACASA-N 1 0 314.407 1.278 10 0 DDAERO C[NH2+][C@@H](c1cnn(-c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300392 183352669 /nfs/dbraw/zinc/35/26/69/183352669.db2.gz HBZVZOJQAXSWLI-SWLSCSKDSA-N 1 0 305.403 1.568 10 0 DDAERO C[C@H]([NH3+])[C@@H](c1ccccc1Br)N(CCO)CCO ZINC000043092454 183336127 /nfs/dbraw/zinc/33/61/27/183336127.db2.gz 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309.410 1.648 10 0 DDAERO CC(C)(C(N)=S)[NH+]1CCN(CCOc2ccccc2)CC1 ZINC000109470645 194267040 /nfs/dbraw/zinc/26/70/40/194267040.db2.gz VYHQWCFXHQUBAC-UHFFFAOYSA-N 1 0 307.463 1.748 10 0 DDAERO CN(c1cc(C[NH2+]C(C)(C)C)ccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000051447617 183827819 /nfs/dbraw/zinc/82/78/19/183827819.db2.gz PONWSVHNVSNPTQ-CYBMUJFWSA-N 1 0 311.451 1.593 10 0 DDAERO O=S(=O)(C[C@H]1CCC[NH2+]1)NCc1ccc(F)c(Cl)c1 ZINC000053159694 183890588 /nfs/dbraw/zinc/89/05/88/183890588.db2.gz UPAISXQTIKELHU-SNVBAGLBSA-N 1 0 306.790 1.651 10 0 DDAERO C[NH+]1CCC(CNC(=O)Cc2ccc(C(N)=S)cc2)CC1 ZINC000110615173 194343117 /nfs/dbraw/zinc/34/31/17/194343117.db2.gz UTDLIQCJJOXUMO-UHFFFAOYSA-N 1 0 305.447 1.321 10 0 DDAERO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000110648420 194346030 /nfs/dbraw/zinc/34/60/30/194346030.db2.gz OJJNDMVPBUUHBR-MRVPVSSYSA-N 1 0 322.352 1.852 10 0 DDAERO C[C@@H](C(=O)Nc1ccc(N)cc1Cl)N1CC[N@H+](C)[C@@H](C)C1 ZINC000110700025 194351673 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CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C)c1cccc(OC)c1 ZINC000061592618 184175803 /nfs/dbraw/zinc/17/58/03/184175803.db2.gz HUBBSLNKYSILRD-NEPJUHHUSA-N 1 0 308.407 1.688 10 0 DDAERO CC[NH+](CC)CCCNC(=O)[C@H](C(N)=S)c1ccccc1 ZINC000061615803 184178420 /nfs/dbraw/zinc/17/84/20/184178420.db2.gz CCBBHQNKBFMZSW-AWEZNQCLSA-N 1 0 307.463 1.904 10 0 DDAERO COCCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000061626719 184179290 /nfs/dbraw/zinc/17/92/90/184179290.db2.gz OWNSCDGJPPJYCV-JTQLQIEISA-N 1 0 304.312 1.946 10 0 DDAERO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cc(N)ccc1F ZINC000061642586 184180474 /nfs/dbraw/zinc/18/04/74/184180474.db2.gz XFWOXOZEOPDKMS-LLVKDONJSA-N 1 0 301.387 1.123 10 0 DDAERO C[C@H]1C[C@H](C)CN(S(=O)(=O)NCc2ccccc2C[NH3+])C1 ZINC000061841328 184189313 /nfs/dbraw/zinc/18/93/13/184189313.db2.gz PSIVXZFGELDTDV-STQMWFEESA-N 1 0 311.451 1.458 10 0 DDAERO C[C@H]1C[C@@H](C(=O)N2CCN(CC(F)(F)F)CC2)CC[C@@H]1[NH3+] ZINC000061950860 184198412 /nfs/dbraw/zinc/19/84/12/184198412.db2.gz 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COCC[NH2+]Cc1cc(Cl)c(OCC(=O)OC)c(OC)c1 ZINC000062727890 184250562 /nfs/dbraw/zinc/25/05/62/184250562.db2.gz LUCXVJPNQIDVBE-UHFFFAOYSA-N 1 0 317.769 1.636 10 0 DDAERO CCOC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N1CC[NH2+]CC1 ZINC000062718598 184250985 /nfs/dbraw/zinc/25/09/85/184250985.db2.gz XFFMCHOAZPDJCR-CYBMUJFWSA-N 1 0 302.296 1.613 10 0 DDAERO COCC[NH2+]Cc1ccc(Br)cc1N(C)CCO ZINC000062736396 184251138 /nfs/dbraw/zinc/25/11/38/184251138.db2.gz WUARCQWSVGFWEF-UHFFFAOYSA-N 1 0 317.227 1.614 10 0 DDAERO C[C@@H]1CN[C@@H](C(=O)Nc2ccccc2OC(F)(F)F)C[NH2+]1 ZINC000062813898 184254310 /nfs/dbraw/zinc/25/43/10/184254310.db2.gz FCZLBKAUMPLUBH-PSASIEDQSA-N 1 0 303.284 1.474 10 0 DDAERO CCC1(C(=O)N2CCN(CC(F)(F)F)CC2)CC[NH2+]CC1 ZINC000062849763 184256542 /nfs/dbraw/zinc/25/65/42/184256542.db2.gz NFLSGSOSUSDGAS-UHFFFAOYSA-N 1 0 307.360 1.473 10 0 DDAERO CCC1(CC)CCN(CC[NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000062958856 184262491 /nfs/dbraw/zinc/26/24/91/184262491.db2.gz BSJYVNSTARYJLW-CQSZACIVSA-N 1 0 302.484 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ZINC000226260893 490701466 /nfs/dbraw/zinc/70/14/66/490701466.db2.gz GKKWBMKIBGCFCO-UHFFFAOYSA-N 1 0 300.362 1.866 10 0 DDAERO CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cn(C)nn1 ZINC000230658934 490702696 /nfs/dbraw/zinc/70/26/96/490702696.db2.gz DZGSQHJLHRAEFO-UHFFFAOYSA-N 1 0 311.430 1.988 10 0 DDAERO CCOc1ccccc1[C@H](CC(=O)NC[C@H](C)[NH2+]C)NC(C)=O ZINC000261665137 517734726 /nfs/dbraw/zinc/73/47/26/517734726.db2.gz GICBNRFQUGNPSX-WFASDCNBSA-N 1 0 321.421 1.377 10 0 DDAERO CC[C@@H](SC)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000153511464 523065993 /nfs/dbraw/zinc/06/59/93/523065993.db2.gz DHVCSLDGWQMLGZ-GXTWGEPZSA-N 1 0 302.484 1.679 10 0 DDAERO C[C@@H]1CCN(S(=O)(=O)c2c(F)cc(F)cc2F)C[C@@H]1C[NH3+] ZINC000163768532 524520213 /nfs/dbraw/zinc/52/02/13/524520213.db2.gz HFLUNAVZTQVHET-BDAKNGLRSA-N 1 0 322.352 1.709 10 0 DDAERO O=c1cc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)[nH]c2ccnn21 ZINC000154677159 527479377 /nfs/dbraw/zinc/47/93/77/527479377.db2.gz CBFMLHRQPNIHEU-CQSZACIVSA-N 1 0 311.345 1.071 10 0 DDAERO COCC[C@@H]([NH3+])C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000052809003 696261068 /nfs/dbraw/zinc/26/10/68/696261068.db2.gz XEFAKRHLNMIMNN-KGLIPLIRSA-N 1 0 312.797 1.604 10 0 DDAERO CC1(C[N@@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)CCOCC1 ZINC000170594868 697347576 /nfs/dbraw/zinc/34/75/76/697347576.db2.gz XOMIJBLQSWJVMI-MRXNPFEDSA-N 1 0 324.465 1.907 10 0 DDAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1nnnn1C ZINC000189846638 697581419 /nfs/dbraw/zinc/58/14/19/697581419.db2.gz VHBMMWIAOOUVRL-QJPTWQEYSA-N 1 0 324.429 1.554 10 0 DDAERO Cn1ncc(Br)c1C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000222554221 697757596 /nfs/dbraw/zinc/75/75/96/697757596.db2.gz SCPONPYEFGZFSU-SNVBAGLBSA-N 1 0 313.199 1.007 10 0 DDAERO Cc1c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)nn2c1OCC2 ZINC000223830434 697762190 /nfs/dbraw/zinc/76/21/90/697762190.db2.gz JPKZZSXNONCIIL-AWEZNQCLSA-N 1 0 314.389 1.617 10 0 DDAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC000229093452 697776875 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CN(c1ccc(S(C)(=O)=O)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261765102 698436457 /nfs/dbraw/zinc/43/64/57/698436457.db2.gz VJAKHVNMFRALTJ-FOSCPWQOSA-N 1 0 312.410 1.948 10 0 DDAERO C[C@H]1[C@H]([NH3+])CCN1S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000261758624 698436783 /nfs/dbraw/zinc/43/67/83/698436783.db2.gz USFQOYABMXXOQS-GZMMTYOYSA-N 1 0 324.324 1.695 10 0 DDAERO [NH3+]C1(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)CCOCC1 ZINC000261861973 698441712 /nfs/dbraw/zinc/44/17/12/698441712.db2.gz NGGFHAKMJANEEV-INIZCTEOSA-N 1 0 318.417 1.467 10 0 DDAERO COc1cccc2c1CC[C@@H]2NC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261878768 698442748 /nfs/dbraw/zinc/44/27/48/698442748.db2.gz UKIWWDXWSJPWCD-GOEBONIOSA-N 1 0 304.390 1.553 10 0 DDAERO COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000261966064 698447835 /nfs/dbraw/zinc/44/78/35/698447835.db2.gz QATUTTOYKLPLQV-KSZLIROESA-N 1 0 304.434 1.984 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000262345641 698465406 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C[C@@H]([NH2+][C@@H]1CCNC1=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000710398667 699254196 /nfs/dbraw/zinc/25/41/96/699254196.db2.gz YRWWLUQYJUXGLU-DGCLKSJQSA-N 1 0 311.426 1.500 10 0 DDAERO CS[C@H](CO)[C@@H](C)[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711440347 699257899 /nfs/dbraw/zinc/25/78/99/699257899.db2.gz BEZHBVSPOROCBF-IKWCTNDRSA-N 1 0 318.483 1.992 10 0 DDAERO CCN(CC)C(=O)C[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711490054 699258533 /nfs/dbraw/zinc/25/85/33/699258533.db2.gz IDWKPPIEPPFRKV-UHFFFAOYSA-N 1 0 313.442 1.748 10 0 DDAERO CO[C@@]1(C[NH2+]C[C@@H](O)COCc2ccco2)CCSC1 ZINC000719322687 699300885 /nfs/dbraw/zinc/30/08/85/699300885.db2.gz FDVQJECAFYKSPD-TZMCWYRMSA-N 1 0 301.408 1.269 10 0 DDAERO CO[C@@H]1C[N@H+](Cc2cnn(C(C)C)c2)C[C@H]1c1cn(C)nn1 ZINC000886093739 708696951 /nfs/dbraw/zinc/69/69/51/708696951.db2.gz FWHVDGAHHCOMAV-DZGCQCFKSA-N 1 0 304.398 1.207 10 0 DDAERO C/C=C/[C@H](O)C(=O)N1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000907556813 712594564 /nfs/dbraw/zinc/59/45/64/712594564.db2.gz WEMAUWVTWATNTI-NHYVCVPDSA-N 1 0 303.406 1.781 10 0 DDAERO O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1CCC[C@H]1Cn1ccnn1 ZINC000908092629 712684567 /nfs/dbraw/zinc/68/45/67/712684567.db2.gz JSROZWNVMMVDOJ-SOUVJXGZSA-N 1 0 303.410 1.286 10 0 DDAERO C[NH+]1CCC(C(=O)Nc2ccccc2N2CCOCC2)CC1 ZINC000074713407 185011385 /nfs/dbraw/zinc/01/13/85/185011385.db2.gz GECLHKBCDRWHHM-UHFFFAOYSA-N 1 0 303.406 1.804 10 0 DDAERO CC[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)CN1CCCC1=O ZINC000248643977 282095403 /nfs/dbraw/zinc/09/54/03/282095403.db2.gz ZUVPXUDNJHVINY-SJORKVTESA-N 1 0 302.418 1.807 10 0 DDAERO C[NH2+][C@@H](CSCCS(C)(=O)=O)c1ccc2c(c1)OCO2 ZINC000081768864 192323303 /nfs/dbraw/zinc/32/33/03/192323303.db2.gz MUGGGGWSVMWNMW-NSHDSACASA-N 1 0 317.432 1.454 10 0 DDAERO CC[NH2+][C@@H](CS(=O)(=O)CC)c1ccc2c(c1)OCCCO2 ZINC000081924645 192339658 /nfs/dbraw/zinc/33/96/58/192339658.db2.gz OIRVPXSCKLKLQW-ZDUSSCGKSA-N 1 0 313.419 1.933 10 0 DDAERO CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000096755292 185386330 /nfs/dbraw/zinc/38/63/30/185386330.db2.gz FVQWVVUXIMICFJ-CYBMUJFWSA-N 1 0 311.426 1.455 10 0 DDAERO CC(=O)c1ccc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1C ZINC000181284979 199275639 /nfs/dbraw/zinc/27/56/39/199275639.db2.gz HPMLYGUAILTZHX-OAHLLOKOSA-N 1 0 319.405 1.992 10 0 DDAERO CCCc1ccc([C@@H](CS(=O)(=O)CC(=O)OC)[NH2+]C)cc1 ZINC000081975821 192347437 /nfs/dbraw/zinc/34/74/37/192347437.db2.gz WRJXEPXHGJJWCE-CQSZACIVSA-N 1 0 313.419 1.487 10 0 DDAERO C[NH2+][C@H](CCO)C[S@@](=O)c1cccc(Br)c1 ZINC000082989996 185210411 /nfs/dbraw/zinc/21/04/11/185210411.db2.gz MLWSXYSIADLDGW-HWPZZCPQSA-N 1 0 306.225 1.527 10 0 DDAERO CCC[C@H](C[NH3+])NS(=O)(=O)c1ccccc1Br ZINC000087403977 185223836 /nfs/dbraw/zinc/22/38/36/185223836.db2.gz VTBBXJOGHCMHQC-SECBINFHSA-N 1 0 321.240 1.855 10 0 DDAERO Brc1ccc(C[NH2+]CC[C@H]2COCCN2)s1 ZINC000087511048 185227459 /nfs/dbraw/zinc/22/74/59/185227459.db2.gz ZYHVUXZHFIXFIF-VIFPVBQESA-N 1 0 305.241 1.979 10 0 DDAERO CC[NH2+]Cc1nnnn1Cc1sccc1Br ZINC000087576343 185229000 /nfs/dbraw/zinc/22/90/00/185229000.db2.gz ZZFXWPVGLRRVAN-UHFFFAOYSA-N 1 0 302.201 1.655 10 0 DDAERO C[C@H](CCC[C@H](C)[NH3+])C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000087699359 185230735 /nfs/dbraw/zinc/23/07/35/185230735.db2.gz TWCNXGPQYPWEPK-NEPJUHHUSA-N 1 0 309.376 1.847 10 0 DDAERO C[NH2+][C@@H](CS(=O)(=O)CCC(=O)OC)c1ccc(C)cc1C ZINC000081974550 192347530 /nfs/dbraw/zinc/34/75/30/192347530.db2.gz QDCQIQZMEVPDIK-AWEZNQCLSA-N 1 0 313.419 1.542 10 0 DDAERO NC[C@@]1([NH2+]CCCO)CCc2cc(Br)ccc2C1 ZINC000087929831 185237683 /nfs/dbraw/zinc/23/76/83/185237683.db2.gz DHQGTOZTTIXQGR-CQSZACIVSA-N 1 0 313.239 1.607 10 0 DDAERO C[C@H](CNS(=O)(=O)c1cccnc1N)C[NH+]1CCCCC1 ZINC000088070983 185238992 /nfs/dbraw/zinc/23/89/92/185238992.db2.gz CEKDVCSNHCOBBY-GFCCVEGCSA-N 1 0 312.439 1.064 10 0 DDAERO CN(Cc1cccnc1)c1nc(NN)[nH+]cc1Br ZINC000087854112 185233647 /nfs/dbraw/zinc/23/36/47/185233647.db2.gz RZXHGRJHFGAICK-UHFFFAOYSA-N 1 0 309.171 1.556 10 0 DDAERO COc1ccc(Br)cc1C[C@H]([NH3+])[C@@H]1COCCO1 ZINC000087857359 185233651 /nfs/dbraw/zinc/23/36/51/185233651.db2.gz JWUGPIMSNDBQFI-AAEUAGOBSA-N 1 0 316.195 1.743 10 0 DDAERO [NH3+][C@H](Cc1ccc(Br)cc1F)[C@H]1COCCO1 ZINC000087857286 185233652 /nfs/dbraw/zinc/23/36/52/185233652.db2.gz BRWBFGWIVCAILT-VXGBXAGGSA-N 1 0 304.159 1.873 10 0 DDAERO CNS(=O)(=O)c1ccc(OC[C@@H]2CCCC[N@@H+]2C)c(N)c1 ZINC000088165377 185240999 /nfs/dbraw/zinc/24/09/99/185240999.db2.gz OYKPWKCSLZHOKA-NSHDSACASA-N 1 0 313.423 1.040 10 0 DDAERO Cc1n[nH]c(C)c1S(=O)(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088165123 185241083 /nfs/dbraw/zinc/24/10/83/185241083.db2.gz OQMJTSLJKLCDHT-YHWZYXNKSA-N 1 0 312.439 1.320 10 0 DDAERO CC(C)C[C@@H](C[NH3+])CC(=O)Nc1ccccc1S(N)(=O)=O ZINC000088277656 185244719 /nfs/dbraw/zinc/24/47/19/185244719.db2.gz ZQGOIQRAWMAVSJ-LLVKDONJSA-N 1 0 313.423 1.284 10 0 DDAERO CS(=O)(=O)[C@H]1CCC[C@@H]1N1CC[NH2+]CC12CCCCC2 ZINC000088395637 185248529 /nfs/dbraw/zinc/24/85/29/185248529.db2.gz PIHGPDUGWMPJKL-KBPBESRZSA-N 1 0 300.468 1.560 10 0 DDAERO CC(C)[NH2+]CCCS(=O)(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000088433055 185249806 /nfs/dbraw/zinc/24/98/06/185249806.db2.gz NHRXJVGOMVYBLN-LLVKDONJSA-N 1 0 316.389 1.979 10 0 DDAERO CC[C@@H]1CO[C@H](C)CN1S(=O)(=O)c1ccc(C[NH2+]C)o1 ZINC000088544356 185256775 /nfs/dbraw/zinc/25/67/75/185256775.db2.gz MVOZTINTPKOBPA-GHMZBOCLSA-N 1 0 302.396 1.187 10 0 DDAERO CCN(CCOC)S(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000088544289 185256789 /nfs/dbraw/zinc/25/67/89/185256789.db2.gz NWAZJVFBWQLQQC-UHFFFAOYSA-N 1 0 318.439 1.825 10 0 DDAERO COCC[C@@H](C)NS(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000088551402 185257293 /nfs/dbraw/zinc/25/72/93/185257293.db2.gz ABIOINQGHVPDKW-LLVKDONJSA-N 1 0 318.439 1.871 10 0 DDAERO CNS(=O)(=O)c1ccc(CNC[C@H](CC(C)C)[NH+](C)C)o1 ZINC000088540008 185255585 /nfs/dbraw/zinc/25/55/85/185255585.db2.gz QYOMKOOQBZHMDZ-LBPRGKRZSA-N 1 0 317.455 1.254 10 0 DDAERO Cc1nn(C)c2sc(C(=O)NCCC[NH2+]C3CC3)c(N)c12 ZINC000088641307 185260759 /nfs/dbraw/zinc/26/07/59/185260759.db2.gz QSLKNTRKQXYAAC-UHFFFAOYSA-N 1 0 307.423 1.397 10 0 DDAERO CC[NH+](CC)C[C@H](C)NC(=O)c1sc2nccnc2c1N ZINC000088642700 185261383 /nfs/dbraw/zinc/26/13/83/185261383.db2.gz RVJXOGGYWLOCAE-VIFPVBQESA-N 1 0 307.423 1.734 10 0 DDAERO CN1C(=O)C[C@@H]([NH2+][C@H]2CCc3cc(Br)ccc32)C1=O ZINC000088775679 185265234 /nfs/dbraw/zinc/26/52/34/185265234.db2.gz QYETVZUESDBDTJ-NWDGAFQWSA-N 1 0 323.190 1.783 10 0 DDAERO O[C@@H](COCc1ccco1)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246681976 539270554 /nfs/dbraw/zinc/27/05/54/539270554.db2.gz MMZUFDDZBASFSG-GDBMZVCRSA-N 1 0 318.373 1.705 10 0 DDAERO CCC[NH2+][C@H]1c2ccccc2C[C@H]1S(=O)(=O)CC(=O)OC ZINC000082004722 192353350 /nfs/dbraw/zinc/35/33/50/192353350.db2.gz XZJSTGCHRVKCJD-HIFRSBDPSA-N 1 0 311.403 1.240 10 0 DDAERO CC(C)C[C@@](C)(O)C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000090268701 185288756 /nfs/dbraw/zinc/28/87/56/185288756.db2.gz SXSRPQMKAOUVII-IUODEOHRSA-N 1 0 314.451 1.782 10 0 DDAERO CCCn1cc(Cl)cc1C(=O)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308708 185290296 /nfs/dbraw/zinc/29/02/96/185290296.db2.gz QZGWMTBWEUAGLW-UHFFFAOYSA-N 1 0 310.829 1.281 10 0 DDAERO CC(C)n1cc(Cl)cc1C(=O)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308814 185290367 /nfs/dbraw/zinc/29/03/67/185290367.db2.gz AUFLFMCHXJYOHP-UHFFFAOYSA-N 1 0 310.829 1.452 10 0 DDAERO CCCOc1ccc(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000090322249 185291004 /nfs/dbraw/zinc/29/10/04/185291004.db2.gz ANKYKDKRYIBYRV-STQMWFEESA-N 1 0 310.419 1.315 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cc(Br)c[nH]1 ZINC000090336518 185291635 /nfs/dbraw/zinc/29/16/35/185291635.db2.gz PVVDWGXWXPBYHW-PSASIEDQSA-N 1 0 312.211 1.847 10 0 DDAERO CNS(=O)(=O)c1ccccc1N1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000090339018 185291891 /nfs/dbraw/zinc/29/18/91/185291891.db2.gz YOGFPUAMRAYXIX-RYUDHWBXSA-N 1 0 309.435 1.029 10 0 DDAERO C[C@H](CC[NH3+])SCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000090355071 185292299 /nfs/dbraw/zinc/29/22/99/185292299.db2.gz WEXVKKNJIQXEPO-LLVKDONJSA-N 1 0 302.465 1.907 10 0 DDAERO CC[NH2+][C@H]1COC[C@@H]1C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000090489579 185298801 /nfs/dbraw/zinc/29/88/01/185298801.db2.gz HLPMVKDWMKJKFV-QQFIATSDSA-N 1 0 308.344 1.848 10 0 DDAERO Cc1cc(Br)cc(C)c1NC(=O)[C@H]1COC[C@H]1[NH3+] ZINC000090379079 185293689 /nfs/dbraw/zinc/29/36/89/185293689.db2.gz AJDBLXZPGWIOKJ-WDEREUQCSA-N 1 0 313.195 1.978 10 0 DDAERO C[C@]1(C(=O)Nc2cccc(OC(F)(F)F)c2)COC[C@@H]1[NH3+] ZINC000090581352 185304881 /nfs/dbraw/zinc/30/48/81/185304881.db2.gz HFHYICILYYJTCA-JQWIXIFHSA-N 1 0 304.268 1.888 10 0 DDAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C)CC2 ZINC000092389913 185315524 /nfs/dbraw/zinc/31/55/24/185315524.db2.gz SZPQYGDNGMAAQH-NEPJUHHUSA-N 1 0 306.391 1.224 10 0 DDAERO CC[NH2+]C[C@H](C)Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C ZINC000092320450 185312341 /nfs/dbraw/zinc/31/23/41/185312341.db2.gz MKTXQGXLZKPJAG-RISCZKNCSA-N 1 0 313.467 1.648 10 0 DDAERO Cc1noc(C)c1[C@H](C)NS(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000092339896 185312916 /nfs/dbraw/zinc/31/29/16/185312916.db2.gz NYJLQCCLWINYDR-JQWIXIFHSA-N 1 0 301.412 1.414 10 0 DDAERO Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCCN2C)sc1C[NH3+] ZINC000092679615 185333327 /nfs/dbraw/zinc/33/33/27/185333327.db2.gz WGUUAFIBHXJHCY-NSHDSACASA-N 1 0 317.480 1.230 10 0 DDAERO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(N)c(F)cc1F ZINC000092621948 185330074 /nfs/dbraw/zinc/33/00/74/185330074.db2.gz QVJUGWUIXMMPIX-VIFPVBQESA-N 1 0 319.377 1.262 10 0 DDAERO Clc1cccc(-c2noc(-c3cn(C4C[NH2+]C4)nn3)n2)c1 ZINC000092699150 185333701 /nfs/dbraw/zinc/33/37/01/185333701.db2.gz IWBDUORJRQWMQA-UHFFFAOYSA-N 1 0 302.725 1.793 10 0 DDAERO O=C(NCc1ccc(F)c(Cl)c1)c1cn(C2C[NH2+]C2)nn1 ZINC000092702381 185334410 /nfs/dbraw/zinc/33/44/10/185334410.db2.gz ZFRVCIYZDVUIFF-UHFFFAOYSA-N 1 0 309.732 1.145 10 0 DDAERO CC[NH2+]C[C@H]1CCCCN1S(=O)(=O)NC1C(C)(C)C1(C)C ZINC000092833197 185344794 /nfs/dbraw/zinc/34/47/94/185344794.db2.gz WBJLKQKLLPXAQG-GFCCVEGCSA-N 1 0 317.499 1.719 10 0 DDAERO CCc1nc2n(n1)CCC[C@@H]2NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000262639739 282292863 /nfs/dbraw/zinc/29/28/63/282292863.db2.gz JUYQTTODESSYSJ-IHRRRGAJSA-N 1 0 319.453 1.817 10 0 DDAERO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1nnc[nH]1 ZINC000381772957 539504585 /nfs/dbraw/zinc/50/45/85/539504585.db2.gz BHELHOMUJQRENO-QLFBSQMISA-N 1 0 311.389 1.445 10 0 DDAERO C[NH2+][C@H](C)[C@@H]1CCCCN1S(=O)(=O)CCc1ccncc1 ZINC000111714919 185629681 /nfs/dbraw/zinc/62/96/81/185629681.db2.gz WVFWGPYNSHQOID-HIFRSBDPSA-N 1 0 311.451 1.416 10 0 DDAERO CCn1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH2+]C)nc1C ZINC000111715027 185629930 /nfs/dbraw/zinc/62/99/30/185629930.db2.gz IOZNOFWWECWZMD-DGCLKSJQSA-N 1 0 314.455 1.363 10 0 DDAERO CC(C)(C)OC(=O)N1CC(c2cnc3n2CCC3)=C[C@H]([NH3+])C1 ZINC000675077608 539562899 /nfs/dbraw/zinc/56/28/99/539562899.db2.gz GKWZAQGZHKZNGR-LBPRGKRZSA-N 1 0 304.394 1.791 10 0 DDAERO C[C@H]1CC[C@@H](C[NH3+])CN1C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000070180363 190868624 /nfs/dbraw/zinc/86/86/24/190868624.db2.gz KJBCMKYSOFZSBL-RYUDHWBXSA-N 1 0 310.419 1.290 10 0 DDAERO CC[NH2+][C@H](C)[C@H]1CCCCN1S(=O)(=O)c1c[nH]c(C)n1 ZINC000070418056 190887767 /nfs/dbraw/zinc/88/77/67/190887767.db2.gz CQOSUJOFDCTQJX-ZYHUDNBSSA-N 1 0 300.428 1.259 10 0 DDAERO O=C(N[C@@H]1COc2ccccc21)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000070530541 190905025 /nfs/dbraw/zinc/90/50/25/190905025.db2.gz FZOPFHKDQBYNTA-ZWNOBZJWSA-N 1 0 300.280 1.778 10 0 DDAERO CCCN(CC[NH+](C)C)S(=O)(=O)c1cc(N)c(C)cc1F ZINC000070485443 190901453 /nfs/dbraw/zinc/90/14/53/190901453.db2.gz ILYMWMSEDXFDFC-UHFFFAOYSA-N 1 0 317.430 1.679 10 0 DDAERO [NH3+]C[C@@H](c1ccccn1)n1cc(I)cn1 ZINC000070677357 190910451 /nfs/dbraw/zinc/91/04/51/190910451.db2.gz OSFIGOFGBPQEMF-JTQLQIEISA-N 1 0 314.130 1.431 10 0 DDAERO C[NH2+]C[C@H]1CCN(CC(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000071145563 190936628 /nfs/dbraw/zinc/93/66/28/190936628.db2.gz NLDZWMRREMFNFQ-SECBINFHSA-N 1 0 301.312 1.584 10 0 DDAERO Cn1c(C[NH3+])nnc1SCc1cnn(-c2ccccc2)c1 ZINC000071373752 190963596 /nfs/dbraw/zinc/96/35/96/190963596.db2.gz HPAYKTQMVVXURK-UHFFFAOYSA-N 1 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CO[C@H]1C[NH2+]C[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000094596906 193382699 /nfs/dbraw/zinc/38/26/99/193382699.db2.gz SSVKJUQQVNPJLV-MNOVXSKESA-N 1 0 306.259 1.561 10 0 DDAERO COc1cc(C[NH3+])ccc1O[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094634042 193385043 /nfs/dbraw/zinc/38/50/43/193385043.db2.gz PHMBHPXUSQSPMX-OLZOCXBDSA-N 1 0 313.419 1.889 10 0 DDAERO C[C@@H](C(N)=S)[NH+]1CCN(c2ncnc3c2CCCC3)CC1 ZINC000094871733 193404444 /nfs/dbraw/zinc/40/44/44/193404444.db2.gz CQZVUWABWIGZSQ-NSHDSACASA-N 1 0 305.451 1.152 10 0 DDAERO Cc1cc(F)c(N)cc1S(=O)(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000094779685 193397418 /nfs/dbraw/zinc/39/74/18/193397418.db2.gz ZPQIPTQVSUFVLW-NSHDSACASA-N 1 0 315.414 1.289 10 0 DDAERO COC(=O)[C@@]1(C)CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000177888067 284233567 /nfs/dbraw/zinc/23/35/67/284233567.db2.gz LPXCBIHNEDBYOK-QAPCUYQASA-N 1 0 318.417 1.571 10 0 DDAERO COc1ccc2c(c1)C[C@H](O)[C@]2(c1ccccc1)N1CC[NH2+]CC1 ZINC000019365016 182119160 /nfs/dbraw/zinc/11/91/60/182119160.db2.gz 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Cc1cccc(N)c1S(=O)(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040621313 183109545 /nfs/dbraw/zinc/10/95/45/183109545.db2.gz ONHITIFMXZTOQJ-CYBMUJFWSA-N 1 0 311.451 1.586 10 0 DDAERO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)N1CCOCC1 ZINC000333854015 249128032 /nfs/dbraw/zinc/12/80/32/249128032.db2.gz ODCIYGHDCFALLB-HUUCEWRRSA-N 1 0 307.369 1.313 10 0 DDAERO CC(C)[C@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000040856575 183143276 /nfs/dbraw/zinc/14/32/76/183143276.db2.gz VRSLJYSGIPCWDP-ZDUSSCGKSA-N 1 0 311.407 1.049 10 0 DDAERO CCn1cnc2sc(C(=O)NCCC[NH+](C)C)c(C)c2c1=O ZINC000041289440 183183061 /nfs/dbraw/zinc/18/30/61/183183061.db2.gz PTJUNAIQDQAICT-UHFFFAOYSA-N 1 0 322.434 1.468 10 0 DDAERO O=C1c2cccc(Br)c2N(CC[NH2+]C2CC2)C1=O ZINC000042410598 183265265 /nfs/dbraw/zinc/26/52/65/183265265.db2.gz KDVGOMPUIYXMFM-UHFFFAOYSA-N 1 0 309.163 1.730 10 0 DDAERO CCO[C@H]1CCCN(S(=O)(=O)Cc2cccc(C[NH3+])c2)C1 ZINC000042424157 183268381 /nfs/dbraw/zinc/26/83/81/183268381.db2.gz FQRHEIIWSXJGIY-HNNXBMFYSA-N 1 0 312.435 1.476 10 0 DDAERO COC[C@H](O)C[N@H+](C)CCC(=O)Nc1ccc(N)cc1Cl ZINC000042483186 183275128 /nfs/dbraw/zinc/27/51/28/183275128.db2.gz HQIHNCHBXFSIQK-LLVKDONJSA-N 1 0 315.801 1.190 10 0 DDAERO CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(CCO)C(C)C)c1 ZINC000042481061 183275361 /nfs/dbraw/zinc/27/53/61/183275361.db2.gz IIHXRNFNWOKZDL-ZDUSSCGKSA-N 1 0 314.451 1.749 10 0 DDAERO C[C@@H]([NH3+])[C@H](c1ccc(F)cc1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000042914730 183318358 /nfs/dbraw/zinc/31/83/58/183318358.db2.gz XZGLYKGVQXKSCW-LERXQTSPSA-N 1 0 300.399 1.333 10 0 DDAERO CNC(=O)CN(C)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020466 183329023 /nfs/dbraw/zinc/32/90/23/183329023.db2.gz DSFXRFVSPRAHGH-RNCFNFMXSA-N 1 0 314.227 1.515 10 0 DDAERO C[C@H]([NH3+])[C@H](c1ccc(Br)s1)N(CCO)CCO ZINC000043261275 183349201 /nfs/dbraw/zinc/34/92/01/183349201.db2.gz BQJIASUZOMKWMC-GZMMTYOYSA-N 1 0 323.256 1.186 10 0 DDAERO C[C@H]([NH3+])[C@@H](c1ccccc1Br)N1CCNC(=O)C1 ZINC000043090585 183335621 /nfs/dbraw/zinc/33/56/21/183335621.db2.gz LUXJSMMHGCVBSV-ZANVPECISA-N 1 0 312.211 1.269 10 0 DDAERO [NH3+]CCc1ccc(OC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000043558810 183371182 /nfs/dbraw/zinc/37/11/82/183371182.db2.gz MBUOXPNIFJWUJG-UHFFFAOYSA-N 1 0 302.355 1.716 10 0 DDAERO COC[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc2c(c1)CCC(=O)N2C ZINC000284511727 218058185 /nfs/dbraw/zinc/05/81/85/218058185.db2.gz ICFVFMOARXWHMO-HOTGVXAUSA-N 1 0 318.417 1.831 10 0 DDAERO CN1c2ccc(NC(=O)N3CC[C@@H]([NH+](C)C)C3)cc2CCC1=O ZINC000105053280 194067500 /nfs/dbraw/zinc/06/75/00/194067500.db2.gz KOSISGBOIAKTAS-CQSZACIVSA-N 1 0 316.405 1.763 10 0 DDAERO COc1ccnc(CN2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c1OC ZINC000284714966 218145854 /nfs/dbraw/zinc/14/58/54/218145854.db2.gz HIEWBNHXYHXITG-CFVMTHIKSA-N 1 0 322.405 1.461 10 0 DDAERO CC[C@@H]1CN(Cc2nc3ccccc3n2C)CC[N@@H+]1C[C@@H](C)O ZINC000105827891 194138420 /nfs/dbraw/zinc/13/84/20/194138420.db2.gz FRUKUYSSNDEBQC-HUUCEWRRSA-N 1 0 316.449 1.850 10 0 DDAERO CCOCC[N@@H+]1CCN(CC(=O)NC2CCCC2)C[C@@H]1CC ZINC000105837741 194144583 /nfs/dbraw/zinc/14/45/83/194144583.db2.gz HHHOWRNOKYOUNP-INIZCTEOSA-N 1 0 311.470 1.478 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2nnnn2C(C)C)C[C@H]1CC ZINC000105838592 194144654 /nfs/dbraw/zinc/14/46/54/194144654.db2.gz KXSKTHUAZHUJKI-CQSZACIVSA-N 1 0 310.446 1.187 10 0 DDAERO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105926272 194171421 /nfs/dbraw/zinc/17/14/21/194171421.db2.gz SDXGQDWUQXRIJT-QKPAOTATSA-N 1 0 311.470 1.142 10 0 DDAERO Cc1ccc(NC(=O)[C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)c(F)c1 ZINC000105932990 194173601 /nfs/dbraw/zinc/17/36/01/194173601.db2.gz RXDOKHIHWQJAAN-OLZOCXBDSA-N 1 0 309.385 1.381 10 0 DDAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)Nc1cccc(Cl)c1 ZINC000105932676 194173624 /nfs/dbraw/zinc/17/36/24/194173624.db2.gz OYEUFIYSTURNMB-BXUZGUMPSA-N 1 0 311.813 1.587 10 0 DDAERO COc1cccc(N(CCC[NH3+])S(=O)(=O)N(C)C(C)C)c1 ZINC000049041946 183704716 /nfs/dbraw/zinc/70/47/16/183704716.db2.gz AHMYLCNVGHSVQW-UHFFFAOYSA-N 1 0 315.439 1.435 10 0 DDAERO O=C1C[C@H]([NH2+]CCc2nccs2)C(=O)N1C1CCCCC1 ZINC000109176223 194257382 /nfs/dbraw/zinc/25/73/82/194257382.db2.gz BPUABYMLECBEKO-LBPRGKRZSA-N 1 0 307.419 1.735 10 0 DDAERO CC[C@@H](C(N)=S)[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000109460790 194265392 /nfs/dbraw/zinc/26/53/92/194265392.db2.gz SCLFJBYNLPEXIY-LBPRGKRZSA-N 1 0 307.419 1.215 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN(CCCn2ccnc2)CC1 ZINC000109470038 194267062 /nfs/dbraw/zinc/26/70/62/194267062.db2.gz UKCJSQOXNSKWAZ-CQSZACIVSA-N 1 0 309.483 1.346 10 0 DDAERO C[C@H](C(N)=S)[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000109471169 194267527 /nfs/dbraw/zinc/26/75/27/194267527.db2.gz WKDTZXVXSSBTGB-SECBINFHSA-N 1 0 307.448 1.488 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN(c2nc(C)cc(C)n2)CC1 ZINC000109471667 194267616 /nfs/dbraw/zinc/26/76/16/194267616.db2.gz MZIFQYJAVKTMJQ-CYBMUJFWSA-N 1 0 307.467 1.670 10 0 DDAERO CC[NH2+][C@@H]1CCCCC[C@@H]1c1nc(CS(C)(=O)=O)no1 ZINC000109512490 194269697 /nfs/dbraw/zinc/26/96/97/194269697.db2.gz KDPWLBYPLAWOGO-WDEREUQCSA-N 1 0 301.412 1.640 10 0 DDAERO CCC[NH2+]C1CCC(c2nc(CS(C)(=O)=O)no2)CC1 ZINC000109512680 194270091 /nfs/dbraw/zinc/27/00/91/194270091.db2.gz SEOUQXQKLOPJMI-UHFFFAOYSA-N 1 0 301.412 1.640 10 0 DDAERO CC[NH2+]C[C@H]1CC[C@H](COc2cccc(S(C)(=O)=O)c2)O1 ZINC000052701670 183868505 /nfs/dbraw/zinc/86/85/05/183868505.db2.gz LCCBCOJDXZINSZ-ZIAGYGMSSA-N 1 0 313.419 1.626 10 0 DDAERO CC[NH+](CC)C[C@H](C)NC(=O)Cc1ccc(C(N)=S)cc1 ZINC000110615330 194342641 /nfs/dbraw/zinc/34/26/41/194342641.db2.gz NIXWMWISKYGACE-LBPRGKRZSA-N 1 0 307.463 1.710 10 0 DDAERO Cc1cccc(CC(=O)NC2CC[NH+](CC(N)=S)CC2)c1 ZINC000110825560 194362286 /nfs/dbraw/zinc/36/22/86/194362286.db2.gz GEFNQLFENDRDMI-UHFFFAOYSA-N 1 0 305.447 1.404 10 0 DDAERO NC(=[NH2+])c1cc(F)ccc1N1CCN(CC(F)(F)F)CC1 ZINC000111034676 194386542 /nfs/dbraw/zinc/38/65/42/194386542.db2.gz ZEVHYBZVRDBRDO-UHFFFAOYSA-N 1 0 304.291 1.794 10 0 DDAERO C[NH2+][C@H](Cc1cc(Br)ccc1F)CS(C)(=O)=O ZINC000060705561 184154659 /nfs/dbraw/zinc/15/46/59/184154659.db2.gz PETFZAAUBZCTNZ-SNVBAGLBSA-N 1 0 324.215 1.763 10 0 DDAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 ZINC000061233788 184166579 /nfs/dbraw/zinc/16/65/79/184166579.db2.gz XVAVMGBTBNJTRT-SECBINFHSA-N 1 0 317.386 1.381 10 0 DDAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000061316325 184168522 /nfs/dbraw/zinc/16/85/22/184168522.db2.gz STJVSMDIYATRMV-UHFFFAOYSA-N 1 0 319.814 1.648 10 0 DDAERO C[C@@H](C[NH+]1CCCC1)Nc1nc(Cl)nc(-n2cccn2)n1 ZINC000061539153 184173219 /nfs/dbraw/zinc/17/32/19/184173219.db2.gz OHGHYKHXEWKEHN-JTQLQIEISA-N 1 0 307.789 1.607 10 0 DDAERO CN(c1nc(Cl)nc(-n2ccnc2)n1)[C@@H]1CCC[N@H+](C)C1 ZINC000061542605 184174171 /nfs/dbraw/zinc/17/41/71/184174171.db2.gz VRRSXGKJBYWLGX-SNVBAGLBSA-N 1 0 307.789 1.241 10 0 DDAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C)c1ccccc1OC ZINC000061592557 184175526 /nfs/dbraw/zinc/17/55/26/184175526.db2.gz XHTMSBIHBAWJEK-JQWIXIFHSA-N 1 0 308.407 1.688 10 0 DDAERO CC[C@H]([NH2+]C)c1cccc(S(=O)(=O)N2CCCOCC2)c1 ZINC000061936088 184197017 /nfs/dbraw/zinc/19/70/17/184197017.db2.gz VMCBIVLWHQANEL-HNNXBMFYSA-N 1 0 312.435 1.768 10 0 DDAERO CC(C)NS(=O)(=O)c1ccccc1NCC[N@H+](C)C1CC1 ZINC000062010297 184201437 /nfs/dbraw/zinc/20/14/37/184201437.db2.gz PZDWTSMMFBSADO-UHFFFAOYSA-N 1 0 311.451 1.879 10 0 DDAERO CC[NH2+]CC1(CN2CCN(S(C)(=O)=O)CC2)CCCCC1 ZINC000062086287 184205671 /nfs/dbraw/zinc/20/56/71/184205671.db2.gz BMYRLCDVLICOFP-UHFFFAOYSA-N 1 0 317.499 1.124 10 0 DDAERO C[NH+](C)CCC(=O)N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000062127080 184207135 /nfs/dbraw/zinc/20/71/35/184207135.db2.gz HJVUAQFVCLKPLT-UHFFFAOYSA-N 1 0 310.442 1.125 10 0 DDAERO COCC[N@H+](CC[C@@H](NC(C)C)C(=O)OC)[C@@H](C)C1CC1 ZINC000062463461 184238879 /nfs/dbraw/zinc/23/88/79/184238879.db2.gz QPTYYCNWQFVPLH-DZGCQCFKSA-N 1 0 300.443 1.663 10 0 DDAERO CC[C@@H]([NH3+])Cc1ccc(O[C@@H](C)C(N)=O)c(Br)c1 ZINC000062705219 184248873 /nfs/dbraw/zinc/24/88/73/184248873.db2.gz YMQIZYJVBJJPHP-WCBMZHEXSA-N 1 0 315.211 1.982 10 0 DDAERO COc1ccc(C[NH2+]CC(C)C)c(OCCS(C)(=O)=O)c1 ZINC000062733171 184251241 /nfs/dbraw/zinc/25/12/41/184251241.db2.gz DPMBSYFUSXZSBI-UHFFFAOYSA-N 1 0 315.435 1.864 10 0 DDAERO CC[C@@]1(C(=O)Nc2ccc(S(C)(=O)=O)nc2)CCC[NH2+]C1 ZINC000062854765 184256613 /nfs/dbraw/zinc/25/66/13/184256613.db2.gz HEZBPGZIIRAIQI-CQSZACIVSA-N 1 0 311.407 1.203 10 0 DDAERO C[C@]1(C(=O)Nc2cc(S(C)(=O)=O)ccc2F)CCC[NH2+]C1 ZINC000062855390 184256747 /nfs/dbraw/zinc/25/67/47/184256747.db2.gz BUNMHEDWNOIVOJ-AWEZNQCLSA-N 1 0 314.382 1.557 10 0 DDAERO CC[C@@]1(C(=O)N(CCOC)[C@@H]2CCSC2)CCC[NH2+]C1 ZINC000062856995 184257092 /nfs/dbraw/zinc/25/70/92/184257092.db2.gz ZKUHISIKAZPAMR-UKRRQHHQSA-N 1 0 300.468 1.747 10 0 DDAERO Nc1cccc(F)c1S(=O)(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062940566 184261252 /nfs/dbraw/zinc/26/12/52/184261252.db2.gz FNWPRICQNWLERW-LLVKDONJSA-N 1 0 313.398 1.267 10 0 DDAERO C[NH+](C)[C@H]1CCN(CCC(=O)Nc2ccc(Cl)c(N)c2)C1 ZINC000062963768 184263163 /nfs/dbraw/zinc/26/31/63/184263163.db2.gz LHTCHYYIDGKHEA-LBPRGKRZSA-N 1 0 310.829 1.887 10 0 DDAERO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2cc(N)cc(Cl)c2F)C1 ZINC000062965384 184263284 /nfs/dbraw/zinc/26/32/84/184263284.db2.gz RZUHWGBOTYXPFR-VIFPVBQESA-N 1 0 321.805 1.386 10 0 DDAERO CCCOc1nc(Cl)nc(N2CC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000062983366 184264055 /nfs/dbraw/zinc/26/40/55/184264055.db2.gz UXDGYQWBJWRKIC-LLVKDONJSA-N 1 0 311.817 1.988 10 0 DDAERO C[NH2+][C@H](CCCS(C)(=O)=O)Cc1ccc(OC)c(OC)c1 ZINC000063017029 184266895 /nfs/dbraw/zinc/26/68/95/184266895.db2.gz BZJZIGWRMQCNRO-CYBMUJFWSA-N 1 0 315.435 1.659 10 0 DDAERO [NH3+][C@@H]1CCC[C@H]1NS(=O)(=O)c1ccccc1Br ZINC000063174845 184276025 /nfs/dbraw/zinc/27/60/25/184276025.db2.gz IBRJAKIPXBELOP-NXEZZACHSA-N 1 0 319.224 1.607 10 0 DDAERO [NH3+][C@H]1CCC[C@H]1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000063174875 184276047 /nfs/dbraw/zinc/27/60/47/184276047.db2.gz PXRKVRQRKBFFKU-VHSXEESVSA-N 1 0 308.325 1.864 10 0 DDAERO CN[C@](C)(CCCC[NH+]1CCC(COC)CC1)C(=O)OC ZINC000069507409 184520741 /nfs/dbraw/zinc/52/07/41/184520741.db2.gz MHRABPBYUQIBPA-MRXNPFEDSA-N 1 0 300.443 1.666 10 0 DDAERO Cc1ccc(S(=O)(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1F ZINC000116900743 194783054 /nfs/dbraw/zinc/78/30/54/194783054.db2.gz DBBPUERKRMKFHT-GFCCVEGCSA-N 1 0 316.398 1.085 10 0 DDAERO CC(C)[N@H+]1C[C@H](NC(=O)CNC(=O)c2cccc(F)c2)[C@@H](C)C1 ZINC000155619339 197072462 /nfs/dbraw/zinc/07/24/62/197072462.db2.gz OBQZUAOHOUMFQP-WFASDCNBSA-N 1 0 321.396 1.400 10 0 DDAERO COCC[N@@H+]1CCN(Cc2c[nH]nc2-c2cccnc2)C[C@H]1C ZINC000120842009 195248457 /nfs/dbraw/zinc/24/84/57/195248457.db2.gz YMWUVDSNBFNBCZ-CQSZACIVSA-N 1 0 315.421 1.624 10 0 DDAERO CC(C)C(=O)NC[C@@H]1CO[C@H]2C[N@H+](Cc3ccccn3)C[C@@H]12 ZINC000248167615 257107519 /nfs/dbraw/zinc/10/75/19/257107519.db2.gz PEHADDNNCRERMK-KBMXLJTQSA-N 1 0 303.406 1.301 10 0 DDAERO COCC(=O)NC[C@@H]1CO[C@H]2C[N@H+](Cc3ccccc3F)C[C@@H]12 ZINC000247824344 257117267 /nfs/dbraw/zinc/11/72/67/257117267.db2.gz IVVDKSCZFYBFEF-YCPHGPKFSA-N 1 0 322.380 1.035 10 0 DDAERO O=C(NCC1CCOCC1)[C@@H]1C[C@H]2CC[N@@H+](C3CCC3)C[C@@H]2O1 ZINC000247462344 257119174 /nfs/dbraw/zinc/11/91/74/257119174.db2.gz BMCNZIDNCQBLTO-PVAVHDDUSA-N 1 0 322.449 1.561 10 0 DDAERO O=C(NC[C@@H]1OC[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]12)C1CC1 ZINC000247426887 257120302 /nfs/dbraw/zinc/12/03/02/257120302.db2.gz SSHSBBCBYSPMQO-OIISXLGYSA-N 1 0 315.417 1.445 10 0 DDAERO c1snnc1CN1C[C@@H]2CCC[C@H](C[NH+]3CCOCC3)[C@@H]2C1 ZINC000253595828 257105786 /nfs/dbraw/zinc/10/57/86/257105786.db2.gz JKOLFMFWOBEROS-YCPHGPKFSA-N 1 0 322.478 1.718 10 0 DDAERO Cc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)N(C)C(C)C)CC2)nn1 ZINC000245460260 292130097 /nfs/dbraw/zinc/13/00/97/292130097.db2.gz FDHJZAFWGOCQKZ-OAHLLOKOSA-N 1 0 319.453 1.552 10 0 DDAERO CO[C@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)c1ccc(F)cc1 ZINC000133281369 286005940 /nfs/dbraw/zinc/00/59/40/286005940.db2.gz SBTQYEAWKXBOCV-ZIAGYGMSSA-N 1 0 312.410 1.725 10 0 DDAERO CNC(=O)[C@H]1CCCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000170929428 407559374 /nfs/dbraw/zinc/55/93/74/407559374.db2.gz RDGFWJIBVOWSIP-JKSUJKDBSA-N 1 0 306.406 1.165 10 0 DDAERO CSC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)CCOCC1 ZINC000261908877 286657820 /nfs/dbraw/zinc/65/78/20/286657820.db2.gz IQZGXZKPDLLVJN-RRFJBIMHSA-N 1 0 314.495 1.645 10 0 DDAERO C[C@@H](C(=O)NCC[NH+](C)C)N1CCN(c2ccccc2F)CC1 ZINC000034668472 406964651 /nfs/dbraw/zinc/96/46/51/406964651.db2.gz XBRGIMWEFIVYFE-AWEZNQCLSA-N 1 0 322.428 1.014 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ncn(-c2ccccc2C)n1 ZINC000034910890 406965787 /nfs/dbraw/zinc/96/57/87/406965787.db2.gz ZHDPQJNRBQTYCF-AWEZNQCLSA-N 1 0 313.405 1.790 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCc2ccc3c(c2)OCO3)C1 ZINC000052502232 407151512 /nfs/dbraw/zinc/15/15/12/407151512.db2.gz QFXUWGQBBSHMEA-AWEZNQCLSA-N 1 0 319.405 1.741 10 0 DDAERO C[NH+](C)C[C@H](NC(=O)CNC(=O)CC(C)(C)C)c1ccccc1 ZINC000053149745 407164443 /nfs/dbraw/zinc/16/44/43/407164443.db2.gz JNAUGGKYMUALNX-HNNXBMFYSA-N 1 0 319.449 1.958 10 0 DDAERO 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CCn1c(C)nnc1CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000179253786 407761400 /nfs/dbraw/zinc/76/14/00/407761400.db2.gz VAVDBSNUZMGHHZ-UHFFFAOYSA-N 1 0 308.474 1.064 10 0 DDAERO COC[C@@H]([NH3+])C(=O)NCc1ccccc1-n1nc(C)cc1C ZINC000262254242 407775701 /nfs/dbraw/zinc/77/57/01/407775701.db2.gz IWJAEHAWUJKYRZ-CQSZACIVSA-N 1 0 302.378 1.079 10 0 DDAERO C[C@@H](Cc1cccs1)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117032802 407805438 /nfs/dbraw/zinc/80/54/38/407805438.db2.gz IZSVCGVDKGNFBF-QWHCGFSZSA-N 1 0 311.451 1.651 10 0 DDAERO C[C@H]1CN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CCS1 ZINC000132912895 407811123 /nfs/dbraw/zinc/81/11/23/407811123.db2.gz GHZNQTHLXPFAHR-HOCLYGCPSA-N 1 0 320.458 1.851 10 0 DDAERO CC[C@@H]1CN(C(=O)NC2CCSCC2)CC[N@@H+]1CCOC ZINC000172333411 407821394 /nfs/dbraw/zinc/82/13/94/407821394.db2.gz BFZJZRSNNMTRNA-CQSZACIVSA-N 1 0 315.483 1.634 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(OC)n1 ZINC000174472312 407951321 /nfs/dbraw/zinc/95/13/21/407951321.db2.gz ODHKCKKMOZHHEM-HUUCEWRRSA-N 1 0 318.421 1.858 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN([C@@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000118856726 407954867 /nfs/dbraw/zinc/95/48/67/407954867.db2.gz OSIRTTKMAOUSHR-JKSUJKDBSA-N 1 0 311.470 1.022 10 0 DDAERO CC[C@@H](O)CN1CC[NH+](CCCCCn2cc(C)cn2)CC1 ZINC000174094177 407914854 /nfs/dbraw/zinc/91/48/54/407914854.db2.gz BBKMOZMFRRFWDG-QGZVFWFLSA-N 1 0 308.470 1.750 10 0 DDAERO COCCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000262752662 407917674 /nfs/dbraw/zinc/91/76/74/407917674.db2.gz NYNBAWAGVHKDIM-DZGCQCFKSA-N 1 0 312.435 1.281 10 0 DDAERO CC(C)(CO)CCCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262804175 407939458 /nfs/dbraw/zinc/93/94/58/407939458.db2.gz PMSYMNFZDHZFEY-ZDUSSCGKSA-N 1 0 308.426 1.336 10 0 DDAERO COc1ccc(C)cc1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000118791202 407943914 /nfs/dbraw/zinc/94/39/14/407943914.db2.gz RBYNZZLPURRWSZ-ZDUSSCGKSA-N 1 0 307.394 1.798 10 0 DDAERO CN(C)C(=O)c1cccc(-c2nc([C@H]3C[NH2+]CCN3C)no2)c1 ZINC000263126784 408032824 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SLTWYUNWVYELBF-OLZOCXBDSA-N 1 0 305.440 1.331 10 0 DDAERO COc1ccc([C@H]([NH3+])CS(=O)(=O)CC(C)C)cc1OC ZINC000081929541 192341294 /nfs/dbraw/zinc/34/12/94/192341294.db2.gz IKKIBFOWBOCOML-GFCCVEGCSA-N 1 0 301.408 1.774 10 0 DDAERO CCC[C@H](CC[NH3+])CCC(=O)NC1CCS(=O)(=O)CC1 ZINC000079237077 185162076 /nfs/dbraw/zinc/16/20/76/185162076.db2.gz VWPGUPBKEXIYOJ-LBPRGKRZSA-N 1 0 304.456 1.225 10 0 DDAERO COC(=O)C[C@H]([NH3+])c1cccc(I)c1 ZINC000095766839 539178032 /nfs/dbraw/zinc/17/80/32/539178032.db2.gz CVDZJJLQZNVUKQ-VIFPVBQESA-N 1 0 305.115 1.854 10 0 DDAERO O=C(C[C@H]1CCCCC(=O)N1)N1CC[NH+](C2CCOCC2)CC1 ZINC000328677415 231303204 /nfs/dbraw/zinc/30/32/04/231303204.db2.gz SBRBXUFKSHFCND-CQSZACIVSA-N 1 0 323.437 1.599 10 0 DDAERO COC1(CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)CCOCC1 ZINC000122039166 539180544 /nfs/dbraw/zinc/18/05/44/539180544.db2.gz IHUDEJPLMGYVIW-CQSZACIVSA-N 1 0 315.458 1.458 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CC[C@@H]1CCCO1 ZINC000122142240 539180704 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CCOC(=O)CS(=O)(=O)[C@@H](CC)[C@H]([NH2+]C)c1ccccc1 ZINC000081977318 192347904 /nfs/dbraw/zinc/34/79/04/192347904.db2.gz KVEIJROYZOGMQV-DZGCQCFKSA-N 1 0 313.419 1.704 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N(C)Cc1csc(Br)c1 ZINC000088003847 185238096 /nfs/dbraw/zinc/23/80/96/185238096.db2.gz RNNPWUZUJMLGSI-MRVPVSSYSA-N 1 0 307.213 1.443 10 0 DDAERO CNC(=O)[C@H]1CCCN1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000156440201 539210968 /nfs/dbraw/zinc/21/09/68/539210968.db2.gz VNHVJOSWKBHHGV-UONOGXRCSA-N 1 0 310.442 1.028 10 0 DDAERO COc1ccc(Br)c(C[C@H]([NH3+])[C@@H]2COCCO2)c1 ZINC000087857219 185233600 /nfs/dbraw/zinc/23/36/00/185233600.db2.gz UJVTWCNVSLWAKW-STQMWFEESA-N 1 0 316.195 1.743 10 0 DDAERO CCOc1ccc([C@H](C)[NH3+])cc1CS(=O)(=O)CC(=O)OC ZINC000081976638 192348142 /nfs/dbraw/zinc/34/81/42/192348142.db2.gz WJJVBRVLRHVLDJ-JTQLQIEISA-N 1 0 315.391 1.193 10 0 DDAERO CN(Cc1cccc(Cl)c1)C(=O)CN1CC[NH2+]CC1(C)C ZINC000088146751 185240722 /nfs/dbraw/zinc/24/07/22/185240722.db2.gz AMHKDHFGXBTOCY-UHFFFAOYSA-N 1 0 309.841 1.982 10 0 DDAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](C)OCC2CC2)CC1 ZINC000176458363 539229483 /nfs/dbraw/zinc/22/94/83/539229483.db2.gz DKRPVSNOCYFYPH-KBPBESRZSA-N 1 0 312.454 1.353 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cnn(CC2CC2)c1 ZINC000179886228 539234954 /nfs/dbraw/zinc/23/49/54/539234954.db2.gz KFXCMNYPVIYYJI-SWLSCSKDSA-N 1 0 303.410 1.994 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](CO)Cc2ccccc2)C1 ZINC000249751705 282194142 /nfs/dbraw/zinc/19/41/42/282194142.db2.gz DDMNDCWRHTUTEA-HZPDHXFCSA-N 1 0 305.422 1.374 10 0 DDAERO COC[C@H]([NH2+]C[C@@H](C)N1CCOCC1)c1ccc(F)c(F)c1 ZINC000182277471 539239270 /nfs/dbraw/zinc/23/92/70/539239270.db2.gz CBDVYYAOVHZJPQ-WBMJQRKESA-N 1 0 314.376 1.963 10 0 DDAERO C[NH2+]Cc1nnnn1-c1c2nsnc2c(Cl)cc1Cl ZINC000088127750 185240371 /nfs/dbraw/zinc/24/03/71/185240371.db2.gz VBMGJUNHYJYQLP-UHFFFAOYSA-N 1 0 316.177 1.693 10 0 DDAERO Cc1cnc([C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C2CC2)s1 ZINC000185344394 539245964 /nfs/dbraw/zinc/24/59/64/539245964.db2.gz KIXKYIGBUBEBKN-GXTWGEPZSA-N 1 0 309.435 1.476 10 0 DDAERO COc1ccc(NS(=O)(=O)CCC[NH3+])cc1Br ZINC000088320577 185245388 /nfs/dbraw/zinc/24/53/88/185245388.db2.gz PJOYDOWLZUUNCX-UHFFFAOYSA-N 1 0 323.212 1.548 10 0 DDAERO CCC[NH2+][C@@H]1CCCCCC[C@@H]1S(=O)(=O)CC(=O)OC ZINC000081975938 192348362 /nfs/dbraw/zinc/34/83/62/192348362.db2.gz FSONZUYCZUTISX-OLZOCXBDSA-N 1 0 305.440 1.665 10 0 DDAERO CCOC(=O)CS(=O)(=O)C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000081977028 192348649 /nfs/dbraw/zinc/34/86/49/192348649.db2.gz RNTJHAYZJVGYGT-AWEZNQCLSA-N 1 0 313.419 1.788 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C(C)C ZINC000183674435 539242890 /nfs/dbraw/zinc/24/28/90/539242890.db2.gz ZAAJEXLLZNBARM-ZYHUDNBSSA-N 1 0 323.359 1.148 10 0 DDAERO O=S(=O)(C[C@@H]1CCC[NH2+]1)Nc1ncccc1Br ZINC000088447276 185251138 /nfs/dbraw/zinc/25/11/38/185251138.db2.gz XAPOSAZWVSUEEQ-QMMMGPOBSA-N 1 0 320.212 1.338 10 0 DDAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H](C)COCC)o1 ZINC000088543026 185256541 /nfs/dbraw/zinc/25/65/41/185256541.db2.gz LDAYOCBZARMFFG-NSHDSACASA-N 1 0 304.412 1.483 10 0 DDAERO Nc1c2cccnc2sc1C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000088639554 185260621 /nfs/dbraw/zinc/26/06/21/185260621.db2.gz XOPSVZVNSIWQRS-LLVKDONJSA-N 1 0 302.403 1.703 10 0 DDAERO NC(=O)[C@@H]1C[NH2+]CCN1Cc1ccc(SC(F)(F)F)cc1 ZINC000088659561 185261904 /nfs/dbraw/zinc/26/19/04/185261904.db2.gz WHQFSIOCKDZFPK-NSHDSACASA-N 1 0 319.352 1.558 10 0 DDAERO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCNC3=[NH+]CCN32)C1 ZINC000232496509 539267058 /nfs/dbraw/zinc/26/70/58/539267058.db2.gz HSYMVWLHRGLPLW-OLZOCXBDSA-N 1 0 308.426 1.667 10 0 DDAERO C[NH2+]CCc1nnc(-c2ccc(OC)c(OC)c2OC)s1 ZINC000088822522 185266490 /nfs/dbraw/zinc/26/64/90/185266490.db2.gz SZUAJQHYOISDSE-UHFFFAOYSA-N 1 0 309.391 1.993 10 0 DDAERO CC[NH2+][C@@H]1CCOC[C@H]1S(=O)(=O)c1cccc(Cl)c1 ZINC000081982039 192349270 /nfs/dbraw/zinc/34/92/70/192349270.db2.gz OFEJXZVHCFIQKP-CHWSQXEVSA-N 1 0 303.811 1.881 10 0 DDAERO CCCN(CC[NH+](C)C)S(=O)(=O)c1cc(CO)oc1C ZINC000088895173 185270000 /nfs/dbraw/zinc/27/00/00/185270000.db2.gz RHUZXCFJLZXQMQ-UHFFFAOYSA-N 1 0 304.412 1.043 10 0 DDAERO Cc1ccc([C@@H]([NH3+])C[S@](=O)CCS(C)(=O)=O)cc1C ZINC000081991975 192351963 /nfs/dbraw/zinc/35/19/63/192351963.db2.gz DNRQIXMHYQIUJZ-UGSOOPFHSA-N 1 0 303.449 1.097 10 0 DDAERO CC[C@@H]([C@H]([NH2+]C)c1ccccc1)S(=O)(=O)CCC(=O)OC ZINC000082004530 192353051 /nfs/dbraw/zinc/35/30/51/192353051.db2.gz RRTDETTUWUCCJZ-DZGCQCFKSA-N 1 0 313.419 1.704 10 0 DDAERO CCC[NH2+][C@H](CCC)[C@@H](CC)S(=O)(=O)CC(=O)OCC ZINC000082009993 192353473 /nfs/dbraw/zinc/35/34/73/192353473.db2.gz PQXPJNJMTVQXST-CHWSQXEVSA-N 1 0 307.456 1.911 10 0 DDAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NC(=O)c1ccc(Br)cc1 ZINC000090311963 185290497 /nfs/dbraw/zinc/29/04/97/185290497.db2.gz CFEPZMLVYSALNN-TUAOUCFPSA-N 1 0 313.195 1.684 10 0 DDAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000090328239 185291375 /nfs/dbraw/zinc/29/13/75/185291375.db2.gz DJPNMADVXPSZIX-GIPNMCIBSA-N 1 0 316.373 1.727 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1S(=O)(=O)c1cc(F)cc(F)c1 ZINC000090336775 185291829 /nfs/dbraw/zinc/29/18/29/185291829.db2.gz WVICBJCWGBSSNH-TVQRCGJNSA-N 1 0 316.373 1.583 10 0 DDAERO CCS(=O)(=O)c1ccc(N2C[C@@H]3C[NH2+]C[C@@H]3C2(C)C)cc1 ZINC000090339019 185291925 /nfs/dbraw/zinc/29/19/25/185291925.db2.gz YMCZJGYIIWHRLL-WFASDCNBSA-N 1 0 308.447 1.914 10 0 DDAERO C[C@H](NC(=O)[C@@H]1COC[C@@H]1[NH3+])c1ccccc1OC(F)F ZINC000090380788 185293478 /nfs/dbraw/zinc/29/34/78/185293478.db2.gz JCAZMBAEMOWBBQ-GDPRMGEGSA-N 1 0 300.305 1.439 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(Br)cc1C ZINC000090431496 185295847 /nfs/dbraw/zinc/29/58/47/185295847.db2.gz IQJCNSSVRDJKQG-PWSUYJOCSA-N 1 0 313.195 1.930 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)N(C)Cc1c(F)cccc1Cl ZINC000090434530 185296192 /nfs/dbraw/zinc/29/61/92/185296192.db2.gz PVRYSPRLMRYMEA-MFKMUULPSA-N 1 0 300.761 1.672 10 0 DDAERO COc1cc(OC)c(NC(=O)[C@]2(C)COC[C@H]2[NH3+])cc1Cl ZINC000090580613 185305001 /nfs/dbraw/zinc/30/50/01/185305001.db2.gz KCDDVRFDXDRJNC-TZMCWYRMSA-N 1 0 314.769 1.660 10 0 DDAERO CC(C)[C@@H](CO)[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000092394706 185315768 /nfs/dbraw/zinc/31/57/68/185315768.db2.gz WETHDKQHQCRSPR-GFCCVEGCSA-N 1 0 315.211 1.994 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cccnc1NC ZINC000092672970 185332996 /nfs/dbraw/zinc/33/29/96/185332996.db2.gz BXCVDYLABNKSJA-LBPRGKRZSA-N 1 0 312.439 1.228 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1c(C)cccc1N ZINC000092622711 185329885 /nfs/dbraw/zinc/32/98/85/185329885.db2.gz FULBDSRSVKMRRO-ZDUSSCGKSA-N 1 0 311.451 1.682 10 0 DDAERO C[C@@H](NC(=O)c1cn(C2C[NH2+]C2)nn1)c1ccc(Cl)s1 ZINC000092700919 185333792 /nfs/dbraw/zinc/33/37/92/185333792.db2.gz NLXAHDQEAFTZAD-SSDOTTSWSA-N 1 0 311.798 1.628 10 0 DDAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(Cl)c1-n1cncn1 ZINC000092952722 185350275 /nfs/dbraw/zinc/35/02/75/185350275.db2.gz SFLIRBQIVLRVDO-UWVGGRQHSA-N 1 0 305.769 1.857 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccnc(OCCOC)c1 ZINC000181547593 199315617 /nfs/dbraw/zinc/31/56/17/199315617.db2.gz VEEJDZPBHUIPOD-HNNXBMFYSA-N 1 0 321.421 1.663 10 0 DDAERO CC[C@](C)(O)C[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000123550558 545646225 /nfs/dbraw/zinc/64/62/25/545646225.db2.gz NAQNIKCLTMRDSH-KRWDZBQOSA-N 1 0 308.470 1.917 10 0 DDAERO CN(C1(C[NH3+])CCCCCC1)S(=O)(=O)c1cn(C)cn1 ZINC000052095879 190683411 /nfs/dbraw/zinc/68/34/11/190683411.db2.gz QXAHDVOWUWMYBP-UHFFFAOYSA-N 1 0 300.428 1.092 10 0 DDAERO CN(CCC1CCCCC1)C(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000237245266 282406493 /nfs/dbraw/zinc/40/64/93/282406493.db2.gz ACCDRHIAQQWFDB-CYBMUJFWSA-N 1 0 304.456 1.177 10 0 DDAERO C[C@@H](CO)C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000109122860 185552691 /nfs/dbraw/zinc/55/26/91/185552691.db2.gz OJMWQZOSFYWSFJ-ZYHUDNBSSA-N 1 0 318.211 1.407 10 0 DDAERO C[C@@H]1CCC[C@@](C[NH3+])(NS(=O)(=O)N2CCCCCC2)C1 ZINC000111373951 185590126 /nfs/dbraw/zinc/59/01/26/185590126.db2.gz HCWLVTIYKZTLLX-ZIAGYGMSSA-N 1 0 303.472 1.604 10 0 DDAERO CCNS(=O)(=O)c1ccccc1N(CC[NH3+])C1CCCC1 ZINC000111374297 185590220 /nfs/dbraw/zinc/59/02/20/185590220.db2.gz VXOVNNCZADYSRR-UHFFFAOYSA-N 1 0 311.451 1.693 10 0 DDAERO CC[C@H]([NH3+])Cc1c(C)nn(C)c1Sc1nc(C)cc(=O)[nH]1 ZINC000111582253 185614911 /nfs/dbraw/zinc/61/49/11/185614911.db2.gz WBVKWQNVFJVCIA-JTQLQIEISA-N 1 0 307.423 1.551 10 0 DDAERO CC[NH2+][C@@H](C)[C@@H]1CCCCN1S(=O)(=O)C[C@@H]1CCCO1 ZINC000111715426 185629514 /nfs/dbraw/zinc/62/95/14/185629514.db2.gz XIAWQCWIIBAUQG-IHRRRGAJSA-N 1 0 304.456 1.348 10 0 DDAERO CC(C)(C)OC(=O)Nc1cccc([C@@H]2C[NH2+]CCN2CCO)c1 ZINC000616635785 362764550 /nfs/dbraw/zinc/76/45/50/362764550.db2.gz MSZHEMOWZBSFIY-HNNXBMFYSA-N 1 0 321.421 1.972 10 0 DDAERO C[NH2+]CCCNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C(C)C ZINC000121239804 185770333 /nfs/dbraw/zinc/77/03/33/185770333.db2.gz SDGPNMCSTUNRIS-AWEZNQCLSA-N 1 0 309.385 1.306 10 0 DDAERO [NH3+]CC[C@H]1CCC[C@H](C(F)(F)F)N1S(=O)(=O)C1CC1 ZINC000675074048 539563008 /nfs/dbraw/zinc/56/30/08/539563008.db2.gz WTUWYMCJTOFKIF-PSASIEDQSA-N 1 0 300.346 1.613 10 0 DDAERO COCC[NH2+]CCCn1cc(I)cn1 ZINC000070679082 190910782 /nfs/dbraw/zinc/91/07/82/190910782.db2.gz GEHVNGBCTMRXLE-UHFFFAOYSA-N 1 0 309.151 1.114 10 0 DDAERO CC[C@H](C[NH3+])NS(=O)(=O)c1ccc(Br)s1 ZINC000083566404 192373393 /nfs/dbraw/zinc/37/33/93/192373393.db2.gz AWWVVPWHIYAYDO-ZCFIWIBFSA-N 1 0 313.242 1.526 10 0 DDAERO Cc1cccc(S(=O)(=O)N[C@@H](C(N)=[NH2+])c2ccccc2)c1 ZINC000083757641 192381901 /nfs/dbraw/zinc/38/19/01/192381901.db2.gz FRNRWNNOCLKSLF-CQSZACIVSA-N 1 0 303.387 1.951 10 0 DDAERO CC1(C)CN(CCCS(C)(=O)=O)C2(CCCCC2)C[NH2+]1 ZINC000071343284 190961570 /nfs/dbraw/zinc/96/15/70/190961570.db2.gz DZSVPRXFESCWCS-UHFFFAOYSA-N 1 0 302.484 1.808 10 0 DDAERO Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000083750052 192381523 /nfs/dbraw/zinc/38/15/23/192381523.db2.gz FJBMIFUSELFDEL-CQSZACIVSA-N 1 0 318.425 1.159 10 0 DDAERO C[NH2+][C@H](C[S@](=O)CCOC)c1ccc2c(c1)OCCCO2 ZINC000084035373 192396815 /nfs/dbraw/zinc/39/68/15/192396815.db2.gz GVFXTDGZOKBFTR-ASSNKEHSSA-N 1 0 313.419 1.504 10 0 DDAERO C[NH2+]CCc1nc2cc(C)ccc2n1CC(=O)N1CCCC1 ZINC000071667004 191001539 /nfs/dbraw/zinc/00/15/39/191001539.db2.gz ULHONVMOTJWALI-UHFFFAOYSA-N 1 0 300.406 1.729 10 0 DDAERO Cc1c2c(ccc1Cl)[C@@H](C[NH3+])N([C@@H]1CCS(=O)(=O)C1)C2 ZINC000071683573 191006370 /nfs/dbraw/zinc/00/63/70/191006370.db2.gz MKJDGKVBMXRSRM-QMTHXVAHSA-N 1 0 314.838 1.651 10 0 DDAERO COc1cc2c(c(OC)c1OC)[C@@H](C[NH3+])N(C(C)(C)CO)C2 ZINC000071684617 191008705 /nfs/dbraw/zinc/00/87/05/191008705.db2.gz VVJJZTMURQLXFB-LLVKDONJSA-N 1 0 310.394 1.299 10 0 DDAERO O=S(=O)(NC[C@@H]1CC[NH2+]C1)c1cc(Cl)sc1Cl ZINC000133713881 186009236 /nfs/dbraw/zinc/00/92/36/186009236.db2.gz ZJJRHOAAHYIPAR-ZCFIWIBFSA-N 1 0 315.247 1.943 10 0 DDAERO C[C@H](N1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1)C(F)(F)F ZINC000237501382 186298193 /nfs/dbraw/zinc/29/81/93/186298193.db2.gz MEXSRMKZYYGHQT-SDDRHHMPSA-N 1 0 307.360 1.599 10 0 DDAERO CC[C@H](C)C[N@H+](C)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000171949744 198012886 /nfs/dbraw/zinc/01/28/86/198012886.db2.gz BDNWOFUHZFMFCF-STQMWFEESA-N 1 0 304.390 1.621 10 0 DDAERO O[C@H]1COCC[C@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000623764736 366044021 /nfs/dbraw/zinc/04/40/21/366044021.db2.gz JIOLNJAIGPXDCU-NEPJUHHUSA-N 1 0 304.159 1.828 10 0 DDAERO Cc1c(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)oc2c1C(=O)CCC2 ZINC000172307752 198077384 /nfs/dbraw/zinc/07/73/84/198077384.db2.gz MSLVAQLSYMDRNM-LBPRGKRZSA-N 1 0 320.389 1.510 10 0 DDAERO CN(C)C(=O)c1cc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000172578176 198118441 /nfs/dbraw/zinc/11/84/41/198118441.db2.gz RYXFLQGCFLHZGI-CYBMUJFWSA-N 1 0 317.393 1.095 10 0 DDAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cc1OC ZINC000173397057 198210028 /nfs/dbraw/zinc/21/00/28/198210028.db2.gz FFVKSCFPSAUVNR-WCQYABFASA-N 1 0 302.378 1.961 10 0 DDAERO Cc1noc(-c2ccccc2C(=O)N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000173575471 198228681 /nfs/dbraw/zinc/22/86/81/198228681.db2.gz CLYQGKFBFISJEC-ZDUSSCGKSA-N 1 0 312.373 1.965 10 0 DDAERO C[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)Oc1ccc(F)cc1 ZINC000173917262 198267836 /nfs/dbraw/zinc/26/78/36/198267836.db2.gz HLECAGMZYSUCHO-JSGCOSHPSA-N 1 0 309.385 1.939 10 0 DDAERO C[NH2+]CCN(C)c1ccc(N)cc1I ZINC000085110707 192480528 /nfs/dbraw/zinc/48/05/28/192480528.db2.gz PFMIEDDEGAABLX-UHFFFAOYSA-N 1 0 305.163 1.529 10 0 DDAERO C[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000174603971 198357438 /nfs/dbraw/zinc/35/74/38/198357438.db2.gz LPMPPRZYFJAPFV-GFCCVEGCSA-N 1 0 304.390 1.977 10 0 DDAERO CC(C)OCCN1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000174892713 198397978 /nfs/dbraw/zinc/39/79/78/198397978.db2.gz DSQBMVQUEFLIQG-GOSISDBHSA-N 1 0 306.450 1.937 10 0 DDAERO C[C@@]1(O)CCN(C(=O)c2cccc(F)c2)C[C@H]1[NH+]1CCCC1 ZINC000097942658 353920643 /nfs/dbraw/zinc/92/06/43/353920643.db2.gz RGMVBWYIXWXFTH-NVXWUHKLSA-N 1 0 306.381 1.887 10 0 DDAERO COCC(=O)N1CC[C@@](O)(c2ccccc2)[C@H]([NH+]2CCCC2)C1 ZINC000097942736 353920832 /nfs/dbraw/zinc/92/08/32/353920832.db2.gz MJBBLOYLOAIFBR-SJLPKXTDSA-N 1 0 318.417 1.217 10 0 DDAERO COC(=O)[C@@H](NC(=O)C[NH2+]Cc1cccc(F)c1)C(C)(C)C ZINC000115131053 353984121 /nfs/dbraw/zinc/98/41/21/353984121.db2.gz IANADEDDMLEEJK-CQSZACIVSA-N 1 0 310.369 1.619 10 0 DDAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc2nnc(C(F)(F)F)n2n1 ZINC000118492254 353998724 /nfs/dbraw/zinc/99/87/24/353998724.db2.gz YLMIDUVCVPYKRP-JGVFFNPUSA-N 1 0 300.288 1.330 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(OC)cc1 ZINC000177009432 198649156 /nfs/dbraw/zinc/64/91/56/198649156.db2.gz LBLXGVUITLXCDA-AWEZNQCLSA-N 1 0 319.405 1.576 10 0 DDAERO COc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1C(C)(C)C ZINC000074934665 191389489 /nfs/dbraw/zinc/38/94/89/191389489.db2.gz SJUOFKALTFMXRP-UHFFFAOYSA-N 1 0 314.451 1.833 10 0 DDAERO OCCN1CCC([NH2+]Cc2cncc(Br)c2)CC1 ZINC000591886167 355410405 /nfs/dbraw/zinc/41/04/05/355410405.db2.gz QKRVTJXBXIIHBK-UHFFFAOYSA-N 1 0 314.227 1.390 10 0 DDAERO NC(=[NH2+])CN(C1CCCC1)S(=O)(=O)CCc1ccncc1 ZINC000080224096 192014011 /nfs/dbraw/zinc/01/40/11/192014011.db2.gz UBWBINWCTKRBCW-UHFFFAOYSA-N 1 0 310.423 1.134 10 0 DDAERO NS(=O)(=O)[C@@H]1CC[C@@H](c2cccc(C(F)(F)F)c2)[NH2+]C1 ZINC000080097602 192000720 /nfs/dbraw/zinc/00/07/20/192000720.db2.gz COXSLPDJUNXKEQ-MNOVXSKESA-N 1 0 308.325 1.787 10 0 DDAERO Cc1c(C)c(C)c(S(=O)(=O)NC[C@H]([NH3+])[C@H](C)O)c(C)c1C ZINC000080738414 192187482 /nfs/dbraw/zinc/18/74/82/192187482.db2.gz TWEKXABJMZWOJX-KBPBESRZSA-N 1 0 314.451 1.215 10 0 DDAERO C[C@@H]([NH3+])c1csc(NC(=O)[C@@H]2COc3ccccc3O2)n1 ZINC000080862648 192197476 /nfs/dbraw/zinc/19/74/76/192197476.db2.gz PMBLQGLDWDJWOV-PELKAZGASA-N 1 0 305.359 1.941 10 0 DDAERO O=C([C@@H]1CCCCC[NH2+]1)N1CCN(Cc2cccs2)CC1 ZINC000080995856 192210583 /nfs/dbraw/zinc/21/05/83/192210583.db2.gz IURKTHXCFKJLRM-HNNXBMFYSA-N 1 0 307.463 1.925 10 0 DDAERO CCC[C@H](C[NH3+])C(=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081134418 192229419 /nfs/dbraw/zinc/22/94/19/192229419.db2.gz WBZMDBMXJFNFRP-MRVPVSSYSA-N 1 0 305.304 1.014 10 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1.910 10 0 DDAERO CCC[C@@H]1C[NH2+][C@@H](C(C)C)CN1CCCS(=O)(=O)CC ZINC000086982034 192605617 /nfs/dbraw/zinc/60/56/17/192605617.db2.gz MTWQOWLQSSTRSP-HUUCEWRRSA-N 1 0 304.500 1.910 10 0 DDAERO CCC[NH2+]Cc1ccc(CS(=O)(=O)N(C)CCOC)cc1 ZINC000088992204 192685435 /nfs/dbraw/zinc/68/54/35/192685435.db2.gz MSBMQKWAFSMUFW-UHFFFAOYSA-N 1 0 314.451 1.594 10 0 DDAERO COc1ccc(S(=O)(=O)NC2CCCCC2)c(CC[NH3+])c1 ZINC000088974779 192677842 /nfs/dbraw/zinc/67/78/42/192677842.db2.gz STKYJKMHQIZHGT-UHFFFAOYSA-N 1 0 312.435 1.807 10 0 DDAERO CC[C@H]1CN(Cc2cnn3ccccc23)CC[N@@H+]1CCOC ZINC000179512759 199048148 /nfs/dbraw/zinc/04/81/48/199048148.db2.gz VKIGZCDEROSVST-INIZCTEOSA-N 1 0 302.422 1.877 10 0 DDAERO CC(C)C[C@H](C)N(C)S(=O)(=O)N(C)CCC[NH2+]C1CC1 ZINC000089004760 192691919 /nfs/dbraw/zinc/69/19/19/192691919.db2.gz MTEAWIUZYLSWMY-ZDUSSCGKSA-N 1 0 305.488 1.672 10 0 DDAERO CCC(CC)N(CCOC)S(=O)(=O)[C@H](C)C[NH2+]C(C)C ZINC000089006733 192693392 /nfs/dbraw/zinc/69/33/92/192693392.db2.gz ZSRFWCYNTWSJPI-CYBMUJFWSA-N 1 0 308.488 1.840 10 0 DDAERO COc1cccc2c1OCC(C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])=C2 ZINC000237341663 202238004 /nfs/dbraw/zinc/23/80/04/202238004.db2.gz HRDDZFFNARMISV-TZMCWYRMSA-N 1 0 302.374 1.715 10 0 DDAERO C[N@H+](C[C@H](O)COCc1ccccc1)C1(C(N)=O)CCCC1 ZINC000180686574 199197333 /nfs/dbraw/zinc/19/73/33/199197333.db2.gz TYFVNELNCSQSAM-HNNXBMFYSA-N 1 0 306.406 1.294 10 0 DDAERO CCN([C@H](C)COC)S(=O)(=O)c1ccc(CC[NH2+]C)s1 ZINC000089008289 192695172 /nfs/dbraw/zinc/69/51/72/192695172.db2.gz CVGPCSCJYQEJRP-LLVKDONJSA-N 1 0 320.480 1.556 10 0 DDAERO CC[NH2+]C[C@H](Cc1cc(CC)nn1C)[C@@H]1CCS(=O)(=O)C1 ZINC000089205597 192742868 /nfs/dbraw/zinc/74/28/68/192742868.db2.gz NFWDCMLYTNVGLU-OLZOCXBDSA-N 1 0 313.467 1.185 10 0 DDAERO CCc1nn(C)c(C[C@@]2(C[NH2+]C)CCOC2)c1Br ZINC000089332091 192769870 /nfs/dbraw/zinc/76/98/70/192769870.db2.gz BTNCJUAXCPFGGC-CYBMUJFWSA-N 1 0 316.243 1.914 10 0 DDAERO CS(=O)(=O)Nc1cccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089459746 192794619 /nfs/dbraw/zinc/79/46/19/192794619.db2.gz KHWCRSIRMJPWKW-GXFFZTMASA-N 1 0 311.407 1.372 10 0 DDAERO NC(=O)c1cccc(OCCC(=O)NCC[C@H]2CCC[NH2+]C2)c1 ZINC000237738864 202342296 /nfs/dbraw/zinc/34/22/96/202342296.db2.gz NYYUVSALRKREKC-CYBMUJFWSA-N 1 0 319.405 1.060 10 0 DDAERO C[N@H+](CCOCC(F)F)[C@@H]1CCCN(c2cccnn2)C1 ZINC000189135688 200354591 /nfs/dbraw/zinc/35/45/91/200354591.db2.gz BCCLZPFVYZVBMZ-GFCCVEGCSA-N 1 0 300.353 1.659 10 0 DDAERO [NH3+][C@H](C(=O)N[C@@H]1CCOc2ccc(F)cc21)C1CCOCC1 ZINC000261805501 283612189 /nfs/dbraw/zinc/61/21/89/283612189.db2.gz OJIGIZZQBBNPFY-HIFRSBDPSA-N 1 0 308.353 1.519 10 0 DDAERO C[C@H]1SCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)[C@@H]1C ZINC000262278770 291256222 /nfs/dbraw/zinc/25/62/22/291256222.db2.gz NQQIUCQHELOGKW-OXHZDVMGSA-N 1 0 308.451 1.076 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(C[C@H](O)COc2ccc(C)cc2)CC1 ZINC000174093152 306685511 /nfs/dbraw/zinc/68/55/11/306685511.db2.gz DHIOKQXJDTVCLF-SJORKVTESA-N 1 0 322.449 1.123 10 0 DDAERO COc1cc(OC)c(OC)cc1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000194019890 201164395 /nfs/dbraw/zinc/16/43/95/201164395.db2.gz UKWASESLKRRZDH-GFCCVEGCSA-N 1 0 308.378 1.471 10 0 DDAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(CC(=O)NC2CC2)C1 ZINC000195286808 201373490 /nfs/dbraw/zinc/37/34/90/201373490.db2.gz PFDPOEJMXHPPJH-OAHLLOKOSA-N 1 0 302.422 1.114 10 0 DDAERO COC[C@@H](O)C[NH2+]C[C@@H]1Cc2cc(Br)ccc2O1 ZINC000090904946 192943525 /nfs/dbraw/zinc/94/35/25/192943525.db2.gz KWNHSXOWNRDTGZ-RYUDHWBXSA-N 1 0 316.195 1.350 10 0 DDAERO CC[C@@H]1CC[C@@](C[NH3+])(N2CCSC[C@@H]2S(C)(=O)=O)C1 ZINC000090922008 192947290 /nfs/dbraw/zinc/94/72/90/192947290.db2.gz WQFBXBWTUJCOTE-FRRDWIJNSA-N 1 0 306.497 1.314 10 0 DDAERO CCC(CC)(C[NH2+]C)CN1CCSC[C@H]1S(C)(=O)=O ZINC000090923694 192948568 /nfs/dbraw/zinc/94/85/68/192948568.db2.gz KFVCGZOMJNCPHZ-GFCCVEGCSA-N 1 0 308.513 1.432 10 0 DDAERO CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000247451725 202672476 /nfs/dbraw/zinc/67/24/76/202672476.db2.gz ZNJYQQDOMFBWPM-OFQRWUPVSA-N 1 0 317.433 1.638 10 0 DDAERO COC(=O)c1ccc(F)cc1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091135314 193001851 /nfs/dbraw/zinc/00/18/51/193001851.db2.gz HKLXSRSUFKWBEU-SNVBAGLBSA-N 1 0 312.366 1.646 10 0 DDAERO CC(C)[NH2+][C@@](CS[C@@H](C)CCO)(C(N)=O)c1ccccc1 ZINC000091267220 193028777 /nfs/dbraw/zinc/02/87/77/193028777.db2.gz ZDLCDCSYRJCBOY-XJKSGUPXSA-N 1 0 310.463 1.869 10 0 DDAERO O=S1(=O)CC[C@H](n2ncc(C[NH2+]C3CC3)c2C(F)F)C1 ZINC000091336201 193043035 /nfs/dbraw/zinc/04/30/35/193043035.db2.gz OMZRILSYWYOOIV-JTQLQIEISA-N 1 0 305.350 1.432 10 0 DDAERO CCNc1ccncc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091432057 193054982 /nfs/dbraw/zinc/05/49/82/193054982.db2.gz LUCSAHFNIJSRSC-GFCCVEGCSA-N 1 0 312.439 1.228 10 0 DDAERO CSC1(C(N)=S)CC[NH+](CC(=O)N[C@@H](C)C(C)C)CC1 ZINC000091478539 193062698 /nfs/dbraw/zinc/06/26/98/193062698.db2.gz BSZDNCNYAGXJPQ-NSHDSACASA-N 1 0 317.524 1.631 10 0 DDAERO Clc1nc(Cl)nc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000091677157 193088723 /nfs/dbraw/zinc/08/87/23/193088723.db2.gz NPQHTWBMXBMWTG-SFYZADRCSA-N 1 0 304.181 1.454 10 0 DDAERO CCCN(C1CCC([NH3+])CC1)S(=O)(=O)c1c[nH]nc1C ZINC000091852218 193118262 /nfs/dbraw/zinc/11/82/62/193118262.db2.gz MMNATOSMFSDSOR-UHFFFAOYSA-N 1 0 300.428 1.389 10 0 DDAERO C[NH2+]C1CCC(Nc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000091873524 193120980 /nfs/dbraw/zinc/12/09/80/193120980.db2.gz ZBOITSKYIQBJLK-UHFFFAOYSA-N 1 0 301.387 1.416 10 0 DDAERO C[NH2+]C1CCC(NS(=O)(=O)c2cc(C)ccc2F)CC1 ZINC000091872416 193121484 /nfs/dbraw/zinc/12/14/84/193121484.db2.gz JHCGXSQZYDPJRE-UHFFFAOYSA-N 1 0 300.399 1.943 10 0 DDAERO CCC[C@@H](C(N)=S)[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000091969306 193134235 /nfs/dbraw/zinc/13/42/35/193134235.db2.gz FILJSYXAQGTISN-ZDUSSCGKSA-N 1 0 312.483 1.665 10 0 DDAERO Brc1cn2c(C[NH2+]CCn3ccnc3)cnc2cn1 ZINC000092049697 193148704 /nfs/dbraw/zinc/14/87/04/193148704.db2.gz SVZQWEMPOCIUKG-UHFFFAOYSA-N 1 0 321.182 1.478 10 0 DDAERO Cn1cc(O[C@@H]2CN(Cc3c(F)cccc3F)C[C@H]2O)cn1 ZINC000625628223 367058410 /nfs/dbraw/zinc/05/84/10/367058410.db2.gz BLVINSKXWIIAIB-HUUCEWRRSA-N 1 0 309.316 1.322 10 0 DDAERO C[C@@H](NC(=O)[C@H]1C[C@H](C)CC[NH2+]1)c1ccc(S(C)(=O)=O)cc1 ZINC000262555298 296102418 /nfs/dbraw/zinc/10/24/18/296102418.db2.gz UCWHWOCIGGWWHZ-LALPHHSUSA-N 1 0 324.446 1.655 10 0 DDAERO CC(C)[NH2+]C[C@H]1CCCN(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)C1 ZINC000092113376 193161470 /nfs/dbraw/zinc/16/14/70/193161470.db2.gz RUFIDBQFNJFUSB-QLFBSQMISA-N 1 0 317.499 1.529 10 0 DDAERO Cc1ncsc1CNS(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092116163 193163966 /nfs/dbraw/zinc/16/39/66/193163966.db2.gz LKRZLIWOHNRDEG-UHFFFAOYSA-N 1 0 315.395 1.528 10 0 DDAERO CC[NH2+]Cc1sc(N2CCS(=O)CC2)nc1C(C)C ZINC000092999922 193192495 /nfs/dbraw/zinc/19/24/95/193192495.db2.gz DQCYDAYZSYZDQK-UHFFFAOYSA-N 1 0 301.481 1.945 10 0 DDAERO CCOC(=O)C[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000262310986 203257661 /nfs/dbraw/zinc/25/76/61/203257661.db2.gz BUOUDRSXFFEAGK-CABCVRRESA-N 1 0 320.389 1.176 10 0 DDAERO CCc1ncsc1C(=O)Nc1nc(C2CC[NH2+]CC2)nn1C ZINC000262479441 203304918 /nfs/dbraw/zinc/30/49/18/203304918.db2.gz XURNAQKGJNSANL-UHFFFAOYSA-N 1 0 320.422 1.553 10 0 DDAERO CCOC(=O)c1c(C)c(C)sc1NC(=O)COCC[NH3+] ZINC000093231984 193220179 /nfs/dbraw/zinc/22/01/79/193220179.db2.gz ABQVFAUGDRXMES-UHFFFAOYSA-N 1 0 300.380 1.455 10 0 DDAERO COCc1cc(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)ncn1 ZINC000093316837 193230029 /nfs/dbraw/zinc/23/00/29/193230029.db2.gz SENYSDZZLNNSML-CQSZACIVSA-N 1 0 321.425 1.865 10 0 DDAERO CC[C@@H](C)N1C(=[NH2+])NC[C@]1(C)c1ccc(S(C)(=O)=O)cc1 ZINC000093380737 193240659 /nfs/dbraw/zinc/24/06/59/193240659.db2.gz AQYIUFXLZPYEMS-IAQYHMDHSA-N 1 0 309.435 1.734 10 0 DDAERO CS(=O)(=O)[C@@H]1CCC[C@]12C[NH+]=C(N)N2Cc1ccccc1 ZINC000093357274 193237010 /nfs/dbraw/zinc/23/70/10/193237010.db2.gz BKHBIANPZZWCHC-HIFRSBDPSA-N 1 0 307.419 1.153 10 0 DDAERO COCC[N@H+](C)CCNc1ncc(N)cc1Br ZINC000093433094 193250821 /nfs/dbraw/zinc/25/08/21/193250821.db2.gz CZRMHXBJWITLHD-UHFFFAOYSA-N 1 0 303.204 1.416 10 0 DDAERO COc1ccc(S(N)(=O)=O)cc1N[C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000093464701 193256065 /nfs/dbraw/zinc/25/60/65/193256065.db2.gz CPBONPDIJXCWCJ-QWRGUYRKSA-N 1 0 313.423 1.285 10 0 DDAERO COCCN1C(=[NH2+])NC[C@@H]1c1ccc(Br)cc1F ZINC000093380048 193241048 /nfs/dbraw/zinc/24/10/48/193241048.db2.gz RAHFCLOCRRAGRL-LLVKDONJSA-N 1 0 316.174 1.906 10 0 DDAERO C[C@@H]1C[NH2+][C@H](c2ccccc2)CN1CC(C)(C)S(C)(=O)=O ZINC000093525889 193264031 /nfs/dbraw/zinc/26/40/31/193264031.db2.gz LTRSFNUCHZRJKF-HIFRSBDPSA-N 1 0 310.463 1.845 10 0 DDAERO CCC[C@@](C)([NH3+])C(=O)Nc1cccc(OCC(=O)NCC)c1 ZINC000262713449 203390405 /nfs/dbraw/zinc/39/04/05/203390405.db2.gz SPMRACHKZNULMP-MRXNPFEDSA-N 1 0 307.394 1.658 10 0 DDAERO CCCN[C@]1(C(=O)OC)CCC[C@H]1CC[N@H+](C)CCOC ZINC000093592056 193271257 /nfs/dbraw/zinc/27/12/57/193271257.db2.gz MQSNTNMJHMLFKJ-GOEBONIOSA-N 1 0 300.443 1.666 10 0 DDAERO CCC[NH2+][C@@H]1CCC[C@@H]1CCS(=O)(=O)CCC(=O)OC ZINC000093623623 193275094 /nfs/dbraw/zinc/27/50/94/193275094.db2.gz OKHWUTPTVLYMEA-CHWSQXEVSA-N 1 0 305.440 1.523 10 0 DDAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@H]1CCOCCOC(C)C ZINC000093620943 193275766 /nfs/dbraw/zinc/27/57/66/193275766.db2.gz RWBFILBMKKAXIG-GOEBONIOSA-N 1 0 300.443 1.842 10 0 DDAERO COC(=O)[C@@]1([NH3+])CCC[C@@H]1CCSc1nc(C)cc(=O)[nH]1 ZINC000093629321 193276798 /nfs/dbraw/zinc/27/67/98/193276798.db2.gz GHRIGEDMCLTQHD-QMTHXVAHSA-N 1 0 311.407 1.231 10 0 DDAERO CC[NH2+][C@]1(C(N)=O)CCC[C@H]1CCSc1nnc(C)n1C ZINC000093630874 193277083 /nfs/dbraw/zinc/27/70/83/193277083.db2.gz NNGYGNFEAJMISG-SMDDNHRTSA-N 1 0 311.455 1.239 10 0 DDAERO CC1CCC(O)(C[NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093697093 193291701 /nfs/dbraw/zinc/29/17/01/193291701.db2.gz FDVZPRKHFODWRT-SLTAFYQDSA-N 1 0 318.483 1.189 10 0 DDAERO CC[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C(CC)(CC)CN ZINC000093695995 193291772 /nfs/dbraw/zinc/29/17/72/193291772.db2.gz YGGXCZDYSBLOIG-AWEZNQCLSA-N 1 0 319.515 1.497 10 0 DDAERO CC(C)[C@@H]([NH3+])c1ccn(C[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000093698588 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CCC(CC)[N@H+](CCO)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701183 193294992 /nfs/dbraw/zinc/29/49/92/193294992.db2.gz NDZHZUKXDVQXNY-ZDUSSCGKSA-N 1 0 306.472 1.141 10 0 DDAERO CC[NH2+][C@]1(C(=O)[O-])CCC[C@@H]([N@H+](CCOC)CC(C)C)C1 ZINC000093751561 193300353 /nfs/dbraw/zinc/30/03/53/193300353.db2.gz TXCZPYDQXQQZBB-GDBMZVCRSA-N 1 0 300.443 1.966 10 0 DDAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@H](Sc2cc(C)nn2C)C1 ZINC000093779197 193306349 /nfs/dbraw/zinc/30/63/49/193306349.db2.gz BYDWYUJEAAVZBA-WFASDCNBSA-N 1 0 310.467 1.987 10 0 DDAERO NC(=O)[C@]1([NH2+]C2CC2)CC[C@H](n2cc(C(F)(F)F)cn2)C1 ZINC000093834074 193315152 /nfs/dbraw/zinc/31/51/52/193315152.db2.gz YLRBAQSCXUMGPU-JQWIXIFHSA-N 1 0 302.300 1.603 10 0 DDAERO Cc1nnc(S[C@H]2CC[C@@]([NH2+]C(C)C)(C(N)=O)C2)s1 ZINC000093851496 193318776 /nfs/dbraw/zinc/31/87/76/193318776.db2.gz PMNDCQJQVBYGLY-CABZTGNLSA-N 1 0 300.453 1.713 10 0 DDAERO CCN(CC(C)(C)C[NH3+])S(=O)(=O)Cc1ccc(F)cc1 ZINC000093878183 193322102 /nfs/dbraw/zinc/32/21/02/193322102.db2.gz 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Cc1ccc(NC(=O)[C@H](C[NH3+])CC(C)C)cc1S(N)(=O)=O ZINC000094699441 193391560 /nfs/dbraw/zinc/39/15/60/193391560.db2.gz PGTGAAXCPMCUOD-NSHDSACASA-N 1 0 313.423 1.202 10 0 DDAERO Cc1c(F)cc(N)cc1S(=O)(=O)NC[C@H]1CCCC[N@H+]1C ZINC000094360356 193365982 /nfs/dbraw/zinc/36/59/82/193365982.db2.gz WFHHLOPBFYIUFZ-GFCCVEGCSA-N 1 0 315.414 1.479 10 0 DDAERO Cc1c(F)cc(N)cc1S(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000094360528 193366202 /nfs/dbraw/zinc/36/62/02/193366202.db2.gz FCYLYBWTXDCCBI-GFCCVEGCSA-N 1 0 315.414 1.431 10 0 DDAERO C[NH+]1CCC(Oc2nc(Br)cn3ccnc23)CC1 ZINC000094486077 193372635 /nfs/dbraw/zinc/37/26/35/193372635.db2.gz KCNNPSBAIHHBCH-UHFFFAOYSA-N 1 0 311.183 1.965 10 0 DDAERO C[C@H]1SCCC[C@]1(C[NH3+])N1CCN(c2ncccn2)CC1 ZINC000094478706 193372899 /nfs/dbraw/zinc/37/28/99/193372899.db2.gz NOPIFHRGZSXEFE-UKRRQHHQSA-N 1 0 307.467 1.212 10 0 DDAERO Brc1cn2ccnc2c(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000094491399 193373795 /nfs/dbraw/zinc/37/37/95/193373795.db2.gz SWISKXAIOJSKCO-SNVBAGLBSA-N 1 0 322.210 1.776 10 0 DDAERO CC[NH2+][C@H](Cc1c(F)cccc1Cl)[C@H]1CN2CCN1CC2 ZINC000094510295 193375782 /nfs/dbraw/zinc/37/57/82/193375782.db2.gz DSTZGMSNUGLSLR-HZPDHXFCSA-N 1 0 311.832 2.000 10 0 DDAERO CCc1nn(C)c(Cn2cnc(CC[NH3+])c2)c1Br ZINC000094529570 193376943 /nfs/dbraw/zinc/37/69/43/193376943.db2.gz COMMURCSGNAONU-UHFFFAOYSA-N 1 0 312.215 1.491 10 0 DDAERO COC(=O)c1cc(NC(=O)[C@H]2CC[C@H](C[NH3+])O2)ccc1Cl ZINC000094565813 193380582 /nfs/dbraw/zinc/38/05/82/193380582.db2.gz BMXLGFZSAURZIF-BXKDBHETSA-N 1 0 312.753 1.571 10 0 DDAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)NCc2ccc(Br)s2)O1 ZINC000094569263 193380595 /nfs/dbraw/zinc/38/05/95/193380595.db2.gz FSJZKGSBPRTJIL-CBAPKCEASA-N 1 0 319.224 1.633 10 0 DDAERO CN(c1nc2c(Br)cccn2n1)[C@H]1CCC[NH2+]C1 ZINC000094608207 193384695 /nfs/dbraw/zinc/38/46/95/193384695.db2.gz DNNXLALSZACNEZ-VIFPVBQESA-N 1 0 310.199 1.680 10 0 DDAERO COc1ncnc2c1[nH]c(=S)n2C[C@H](C)C[NH+]1CCCC1 ZINC000094739190 193394457 /nfs/dbraw/zinc/39/44/57/193394457.db2.gz MNNAXQKWHBFJNK-SNVBAGLBSA-N 1 0 307.423 1.856 10 0 DDAERO CCC[NH2+]Cc1ccc(CN(C)[C@H]2CCS(=O)(=O)C2)nc1 ZINC000094757017 193395418 /nfs/dbraw/zinc/39/54/18/193395418.db2.gz MSWJAKANMYTCTJ-HNNXBMFYSA-N 1 0 311.451 1.200 10 0 DDAERO CCN(C)C(=O)[C@H](C)NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000189866652 284319842 /nfs/dbraw/zinc/31/98/42/284319842.db2.gz UVOVHRSJHKESNI-ZFWWWQNUSA-N 1 0 320.437 1.455 10 0 DDAERO C[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1cncc(F)c1 ZINC000097309545 193706794 /nfs/dbraw/zinc/70/67/94/193706794.db2.gz GKCWJGYJSHEJMF-RISCZKNCSA-N 1 0 315.414 1.543 10 0 DDAERO O=C(Nc1ccc(F)cc1Br)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000020434650 182216979 /nfs/dbraw/zinc/21/69/79/182216979.db2.gz MFPMOMGLIBTKET-XCBNKYQSSA-N 1 0 303.131 1.250 10 0 DDAERO O=C(CN1CC[NH2+]CC1)Nc1ccc(F)cc1Br ZINC000020521389 182226874 /nfs/dbraw/zinc/22/68/74/182226874.db2.gz VCZAWLDKYFUTLV-UHFFFAOYSA-N 1 0 316.174 1.432 10 0 DDAERO CC[NH+](CC)CCNC(=O)COc1ccc(C(N)=S)cc1 ZINC000021817190 182292697 /nfs/dbraw/zinc/29/26/97/182292697.db2.gz RXQDZLXEXMHLLT-UHFFFAOYSA-N 1 0 309.435 1.158 10 0 DDAERO CN(C)C(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000037003259 182859851 /nfs/dbraw/zinc/85/98/51/182859851.db2.gz UAYQTEHURAQRFE-LLVKDONJSA-N 1 0 309.797 1.980 10 0 DDAERO O=C1CCCN1C[C@@H](O)C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000084501229 248232970 /nfs/dbraw/zinc/23/29/70/248232970.db2.gz ZPPRURMYXXPECO-LBPRGKRZSA-N 1 0 308.344 1.634 10 0 DDAERO C[C@H](CNS(=O)(=O)c1c(Cl)nc2sccn21)[NH+](C)C ZINC000038110727 182993204 /nfs/dbraw/zinc/99/32/04/182993204.db2.gz QUNVBAJUCVCPTC-SSDOTTSWSA-N 1 0 322.843 1.278 10 0 DDAERO CCn1cc([C@H]2OCC[C@@H]2NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)cn1 ZINC000333326074 248965335 /nfs/dbraw/zinc/96/53/35/248965335.db2.gz VIBGDTHWNOPYQM-REBRKWNGSA-N 1 0 306.410 1.237 10 0 DDAERO CCOCCCN(CC(F)(F)F)C(=O)[C@@H]1C[C@H](OC)C[NH2+]1 ZINC000040635689 183112814 /nfs/dbraw/zinc/11/28/14/183112814.db2.gz KQWOCBLTBBJDKG-QWRGUYRKSA-N 1 0 312.332 1.181 10 0 DDAERO CC(C)N1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000040784443 183134037 /nfs/dbraw/zinc/13/40/37/183134037.db2.gz BVDYKQKJEZWFFD-LSVZVQIISA-N 1 0 314.495 1.520 10 0 DDAERO CC(C)C[C@@H](CNS(=O)(=O)c1ccnc(Cl)c1)[NH+](C)C ZINC000040805797 183135876 /nfs/dbraw/zinc/13/58/76/183135876.db2.gz ORSKFZQCBMVAIL-NSHDSACASA-N 1 0 319.858 1.990 10 0 DDAERO Cc1n[nH]cc1S(=O)(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000040809486 183136862 /nfs/dbraw/zinc/13/68/62/183136862.db2.gz TYMRNVCQIBAQBR-LBPRGKRZSA-N 1 0 300.428 1.117 10 0 DDAERO NC(=O)c1ccsc1NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000040859410 183143298 /nfs/dbraw/zinc/14/32/98/183143298.db2.gz OHVQXDQCYYNBDZ-LBPRGKRZSA-N 1 0 301.371 1.500 10 0 DDAERO Nc1cc(N)[nH+]c(SCC(=O)Nc2cc(F)ccc2N)n1 ZINC000041023531 183156983 /nfs/dbraw/zinc/15/69/83/183156983.db2.gz CUAUMMHAQGSOIP-UHFFFAOYSA-N 1 0 308.342 1.093 10 0 DDAERO CN1CCC([N@H+](C)CCCCCNC(=O)c2cnccn2)CC1 ZINC000041565798 183203977 /nfs/dbraw/zinc/20/39/77/183203977.db2.gz 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O=S(=O)(NC1CC1)c1ccc(OC[C@H]2CCCC[NH2+]2)cc1 ZINC000051883388 183840245 /nfs/dbraw/zinc/84/02/45/183840245.db2.gz WSAMSSLRNADOPI-CYBMUJFWSA-N 1 0 310.419 1.648 10 0 DDAERO CC(C)[C@@H](C[NH+](C)C)NC(=O)Cc1ccc(C(N)=S)cc1 ZINC000110614860 194342601 /nfs/dbraw/zinc/34/26/01/194342601.db2.gz JLUJYSGSNNGQMR-CQSZACIVSA-N 1 0 307.463 1.566 10 0 DDAERO C[C@H]([NH3+])C1CCN(Cc2csc(CC(=O)N(C)C)n2)CC1 ZINC000110648832 194345331 /nfs/dbraw/zinc/34/53/31/194345331.db2.gz CMMZBAWWCQEMRS-NSHDSACASA-N 1 0 310.467 1.333 10 0 DDAERO CC[C@@H](C[NH3+])N1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000110779093 194358800 /nfs/dbraw/zinc/35/88/00/194358800.db2.gz QEFALPIRHLJQOA-LBPRGKRZSA-N 1 0 305.451 1.859 10 0 DDAERO C[C@@H]1CN(c2nc3c(cc2C(N)=S)CCCC3)CC[N@@H+]1C ZINC000110755871 194357195 /nfs/dbraw/zinc/35/71/95/194357195.db2.gz BJISPHZTZHQLQX-LLVKDONJSA-N 1 0 304.463 1.735 10 0 DDAERO CCc1nc(N2CCS(=O)(=O)CC2)sc1C[NH2+]C(C)C ZINC000054997651 183956894 /nfs/dbraw/zinc/95/68/94/183956894.db2.gz ASLOWPCKFHMONR-UHFFFAOYSA-N 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C[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000061950915 184198468 /nfs/dbraw/zinc/19/84/68/184198468.db2.gz UDMJXFXYAMTIRE-WOPDTQHZSA-N 1 0 307.360 1.456 10 0 DDAERO Cc1nnc([C@@H](CC(=O)NCCC[NH+](C)C)c2ccccc2)o1 ZINC000062066214 184203938 /nfs/dbraw/zinc/20/39/38/184203938.db2.gz CVQKVWSJSVPOPE-HNNXBMFYSA-N 1 0 316.405 1.968 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)CCc1nn2c(C)nnc2s1 ZINC000062062585 184203986 /nfs/dbraw/zinc/20/39/86/184203986.db2.gz IVTDCCZZDPMWGE-JTQLQIEISA-N 1 0 324.454 1.273 10 0 DDAERO [NH3+]C[C@H](c1ccc(Br)cc1)N1CCNC(=O)CC1 ZINC000062099578 184205880 /nfs/dbraw/zinc/20/58/80/184205880.db2.gz ILOYOEPEKGOHRL-GFCCVEGCSA-N 1 0 312.211 1.271 10 0 DDAERO O=C(Nc1ccccc1I)[C@H]1CC[NH2+]C1 ZINC000062112634 184206318 /nfs/dbraw/zinc/20/63/18/184206318.db2.gz SIIDVGWDIQXWDC-QMMMGPOBSA-N 1 0 316.142 1.839 10 0 DDAERO [NH3+]C[C@H](c1ccc(Br)o1)N1CCn2ccnc2C1 ZINC000062249465 184225597 /nfs/dbraw/zinc/22/55/97/184225597.db2.gz XKQFGZYDYZHVDE-SECBINFHSA-N 1 0 311.183 1.754 10 0 DDAERO Cc1ccc(C)c(S(=O)(=O)NOCC[NH+]2CCCCC2)c1 ZINC000062578219 184244194 /nfs/dbraw/zinc/24/41/94/184244194.db2.gz WSCSDCCIWCJBEF-UHFFFAOYSA-N 1 0 312.435 1.999 10 0 DDAERO Cc1ccc(S(=O)(=O)NOCC[NH+]2CCCCC2)s1 ZINC000062578237 184244200 /nfs/dbraw/zinc/24/42/00/184244200.db2.gz NRVZSZMVDYQWJH-UHFFFAOYSA-N 1 0 304.437 1.752 10 0 DDAERO CCNC(=O)COc1ccc(C[C@H](C)[NH3+])cc1Br ZINC000062704171 184248605 /nfs/dbraw/zinc/24/86/05/184248605.db2.gz YFGFCONBMOGKJC-VIFPVBQESA-N 1 0 315.211 1.854 10 0 DDAERO COCCN(CCOC)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062710169 184248777 /nfs/dbraw/zinc/24/87/77/184248777.db2.gz SACVSTLQYKENTG-ZDUSSCGKSA-N 1 0 306.328 1.699 10 0 DDAERO CCS(=O)(=O)N1CCC([NH2+][C@H](C)Cc2ccco2)CC1 ZINC000062769816 184253180 /nfs/dbraw/zinc/25/31/80/184253180.db2.gz PCZABUFPZHJDKU-GFCCVEGCSA-N 1 0 300.424 1.614 10 0 DDAERO NS(=O)(=O)c1ccc(Nc2cccc(OCC[NH3+])c2)cc1 ZINC000062839353 184255754 /nfs/dbraw/zinc/25/57/54/184255754.db2.gz YFJTXUSBPZOVHG-UHFFFAOYSA-N 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DDAERO C[NH2+][C@H](C)C(=O)Nc1ccc(I)cc1F ZINC000568416407 304293239 /nfs/dbraw/zinc/29/32/39/304293239.db2.gz WNRAFALWGXPHJB-ZCFIWIBFSA-N 1 0 322.121 1.977 10 0 DDAERO COc1ccc2c(=O)cc(C(=O)NCCC[NH+](C)C)oc2c1 ZINC000036479374 406980392 /nfs/dbraw/zinc/98/03/92/406980392.db2.gz BENAGNVHPLWFTI-UHFFFAOYSA-N 1 0 304.346 1.483 10 0 DDAERO CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000087138166 407118091 /nfs/dbraw/zinc/11/80/91/407118091.db2.gz NYOCQIKRLZXFDQ-DGCLKSJQSA-N 1 0 320.441 1.457 10 0 DDAERO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000054307494 407182390 /nfs/dbraw/zinc/18/23/90/407182390.db2.gz NBBZRTMSGCGXMO-RYUDHWBXSA-N 1 0 307.360 1.377 10 0 DDAERO CC[C@@](C)(O)C[NH+]1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000123566437 407332866 /nfs/dbraw/zinc/33/28/66/407332866.db2.gz FTMICFPOMQXPGJ-FUHWJXTLSA-N 1 0 322.449 1.205 10 0 DDAERO COC[C@@H](C)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000103385933 407337983 /nfs/dbraw/zinc/33/79/83/407337983.db2.gz NWWPZFOWPGCBQN-CQSZACIVSA-N 1 0 305.422 1.655 10 0 DDAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)Nc2cccnc2Cl)c1 ZINC000105881455 407356093 /nfs/dbraw/zinc/35/60/93/407356093.db2.gz FDUMFOSNAZADHX-NSHDSACASA-N 1 0 307.785 1.857 10 0 DDAERO CN(CCn1cccn1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000111646019 407413592 /nfs/dbraw/zinc/41/35/92/407413592.db2.gz DWGLWPOMZNEMFZ-INIZCTEOSA-N 1 0 300.406 1.514 10 0 DDAERO CCOCC[N@@H+]1CCN(c2ccc3nccnc3n2)C[C@@H]1C ZINC000112080398 407421126 /nfs/dbraw/zinc/42/11/26/407421126.db2.gz IQEXMISPAUNWIU-ZDUSSCGKSA-N 1 0 301.394 1.572 10 0 DDAERO C[C@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CCS1 ZINC000112289335 407424765 /nfs/dbraw/zinc/42/47/65/407424765.db2.gz BFTHFSSJANIHKJ-ZDUSSCGKSA-N 1 0 320.462 1.411 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)Cc1ccccc1 ZINC000113228049 407476013 /nfs/dbraw/zinc/47/60/13/407476013.db2.gz QUPGOVXRWZVDCU-GDBMZVCRSA-N 1 0 315.417 1.040 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2ccnc2)nc1 ZINC000113232985 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/nfs/dbraw/zinc/15/94/60/185159460.db2.gz RKZVKSQNBUMDHA-LLVKDONJSA-N 1 0 313.423 1.298 10 0 DDAERO CC(C)(C)[C@@H](CC[NH3+])CCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000079288601 185163556 /nfs/dbraw/zinc/16/35/56/185163556.db2.gz FVPIRHJHGCQIQO-VXGBXAGGSA-N 1 0 304.456 1.081 10 0 DDAERO CCC[C@H](CC[NH3+])CCC(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000079237424 185162134 /nfs/dbraw/zinc/16/21/34/185162134.db2.gz GKJDHBKCRADMAM-JSGCOSHPSA-N 1 0 304.456 1.225 10 0 DDAERO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc2[nH][nH]c(=O)c2c1 ZINC000614726131 361994550 /nfs/dbraw/zinc/99/45/50/361994550.db2.gz XAWQZSWBAFYFIP-WCQYABFASA-N 1 0 314.389 1.967 10 0 DDAERO C[NH+]1CCC(N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000082348150 185176831 /nfs/dbraw/zinc/17/68/31/185176831.db2.gz QTPPYDLPZTVOSU-UHFFFAOYSA-N 1 0 323.462 1.087 10 0 DDAERO [NH3+][C@@H](Cc1cc(Br)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000083185135 185216930 /nfs/dbraw/zinc/21/69/30/185216930.db2.gz MDKXCQALFOTRFU-XVKPBYJWSA-N 1 0 324.265 1.815 10 0 DDAERO CCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(C(=O)OCC)cc1 ZINC000087404243 185223873 /nfs/dbraw/zinc/22/38/73/185223873.db2.gz AOEANOJWKBTACW-GFCCVEGCSA-N 1 0 314.407 1.269 10 0 DDAERO [NH3+]C1CN(CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000087590142 185229014 /nfs/dbraw/zinc/22/90/14/185229014.db2.gz IZBSRQUNFUMSDE-UHFFFAOYSA-N 1 0 302.147 1.170 10 0 DDAERO C[C@@H]([NH3+])CCC[C@@H](C)C(=O)N1CCN(c2nccs2)CC1 ZINC000087682611 185230580 /nfs/dbraw/zinc/23/05/80/185230580.db2.gz UVSHVPGZHUJJJF-CHWSQXEVSA-N 1 0 310.467 1.945 10 0 DDAERO CCC[NH2+][C@@H](CS(=O)(=O)CC(=O)OC)c1ccccc1C ZINC000081976223 192347508 /nfs/dbraw/zinc/34/75/08/192347508.db2.gz RUQJIIAPGDZEMR-AWEZNQCLSA-N 1 0 313.419 1.624 10 0 DDAERO [NH3+]C[C@@H](NCCCO)c1cc2c(c(Br)c1)OCO2 ZINC000087929736 185237607 /nfs/dbraw/zinc/23/76/07/185237607.db2.gz FGWJILFFEUVRDS-SNVBAGLBSA-N 1 0 317.183 1.150 10 0 DDAERO CCOc1ccc(NS(=O)(=O)[C@H]2CC[NH2+]C2)cc1OCC ZINC000088056144 185238370 /nfs/dbraw/zinc/23/83/70/185238370.db2.gz YVQZZOZMGNUAPU-LBPRGKRZSA-N 1 0 314.407 1.588 10 0 DDAERO Nc1nc2ccc(C(=O)N[C@H]3C[NH+]4CCC3CC4)cc2s1 ZINC000087847150 185233244 /nfs/dbraw/zinc/23/32/44/185233244.db2.gz VPABXAQVSOGZEM-LBPRGKRZSA-N 1 0 302.403 1.703 10 0 DDAERO CN(Cc1cscn1)c1nc(NN)[nH+]cc1Br ZINC000087867441 185233987 /nfs/dbraw/zinc/23/39/87/185233987.db2.gz LJVMVKWDUVTSLZ-UHFFFAOYSA-N 1 0 315.200 1.618 10 0 DDAERO CCc1ccc([C@@H]([NH3+])[C@H](C)S(=O)(=O)CCC(=O)OC)cc1 ZINC000081974661 192348156 /nfs/dbraw/zinc/34/81/56/192348156.db2.gz DUMIZHHBSFHBRD-NHYWBVRUSA-N 1 0 313.419 1.615 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1cccc(OC)n1 ZINC000176290268 539229411 /nfs/dbraw/zinc/22/94/11/539229411.db2.gz DHARWJOBWALAOY-AWEZNQCLSA-N 1 0 306.410 1.716 10 0 DDAERO C[C@@H]1CCC[C@@H](CNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000249751994 282194185 /nfs/dbraw/zinc/19/41/85/282194185.db2.gz BFTPSXXKJXYTIT-BZUAXINKSA-N 1 0 311.470 1.959 10 0 DDAERO CC(C)C[C@@H](C[NH3+])CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000088275790 185244574 /nfs/dbraw/zinc/24/45/74/185244574.db2.gz KWHOKWNQEQJUJJ-LLVKDONJSA-N 1 0 313.423 1.284 10 0 DDAERO COCCN(C(=O)C[C@H](C[NH3+])CC(C)C)[C@H]1CCSC1 ZINC000088277225 185244747 /nfs/dbraw/zinc/24/47/47/185244747.db2.gz RNJJNIMKBGVZSB-KGLIPLIRSA-N 1 0 302.484 1.978 10 0 DDAERO CCNC(=O)N1CCN(CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000185161081 539245418 /nfs/dbraw/zinc/24/54/18/539245418.db2.gz LLOZOJZKCZEYQV-UHFFFAOYSA-N 1 0 322.428 1.605 10 0 DDAERO [NH3+][C@H](Cc1ccccc1)[C@@H](O)Cn1cc(Br)cn1 ZINC000088397798 185248419 /nfs/dbraw/zinc/24/84/19/185248419.db2.gz HJTBSVHJLQRCET-OLZOCXBDSA-N 1 0 310.195 1.577 10 0 DDAERO CN(CCC(F)(F)F)C(=O)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000088420069 185249586 /nfs/dbraw/zinc/24/95/86/185249586.db2.gz FXMTYRMUPVLYAZ-LBPRGKRZSA-N 1 0 307.360 1.614 10 0 DDAERO CCN[C@@](C)(C[C@H](C)[NH+]1CCC(C(F)(F)F)CC1)C(N)=O ZINC000088435567 185250366 /nfs/dbraw/zinc/25/03/66/185250366.db2.gz PKZUVJKYJHJSLZ-GWCFXTLKSA-N 1 0 309.376 1.893 10 0 DDAERO CC[NH+](CC)C[C@@H](C)NCc1ccc(S(=O)(=O)N(C)C)o1 ZINC000088540604 185255803 /nfs/dbraw/zinc/25/58/03/185255803.db2.gz WNXCMJQAYKGYCR-GFCCVEGCSA-N 1 0 317.455 1.350 10 0 DDAERO Cn1ncnc1COc1ccc(CC[NH3+])cc1C(F)(F)F ZINC000088582686 185258585 /nfs/dbraw/zinc/25/85/85/185258585.db2.gz KSDCUWCXNUABMQ-UHFFFAOYSA-N 1 0 300.284 1.914 10 0 DDAERO C[C@H](c1ccc(Cl)c(Cl)c1)N1CC[NH2+]C[C@@H]1C(N)=O ZINC000088659565 185261801 /nfs/dbraw/zinc/26/18/01/185261801.db2.gz CZZVTUMECQDHPF-PRHODGIISA-N 1 0 302.205 1.814 10 0 DDAERO CC[C@@H](C(N)=S)[NH+]1CCN(Cc2ccncc2Cl)CC1 ZINC000088781609 185265651 /nfs/dbraw/zinc/26/56/51/185265651.db2.gz SNGNLMCVKSONHQ-ZDUSSCGKSA-N 1 0 312.870 1.917 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CC[C@H]1CCCO1 ZINC000246067830 539269418 /nfs/dbraw/zinc/26/94/18/539269418.db2.gz XLHPDFYXINICMM-QLFBSQMISA-N 1 0 316.467 1.444 10 0 DDAERO Cc1ccccc1S(=O)(=O)N[C@H](C[NH3+])Cc1ccccc1 ZINC000088716823 185263165 /nfs/dbraw/zinc/26/31/65/185263165.db2.gz GPFMUMRGTJZEFK-HNNXBMFYSA-N 1 0 304.415 1.843 10 0 DDAERO CC[NH2+][C@H](C)CCS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000081990862 192350183 /nfs/dbraw/zinc/35/01/83/192350183.db2.gz YURJSBYGCXYMBL-LLVKDONJSA-N 1 0 319.448 1.252 10 0 DDAERO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(CO)s2)CC1 ZINC000088891817 185269702 /nfs/dbraw/zinc/26/97/02/185269702.db2.gz SZEVOJATHQVUGY-UHFFFAOYSA-N 1 0 318.464 1.345 10 0 DDAERO Cc1ccc([C@H]([NH3+])C[S@](=O)CCS(C)(=O)=O)c(C)c1 ZINC000081992764 192352413 /nfs/dbraw/zinc/35/24/13/192352413.db2.gz MKXUOOIILKCOJF-ACJLOTCBSA-N 1 0 303.449 1.097 10 0 DDAERO C[C@](O)(CO)C[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000090285871 185289444 /nfs/dbraw/zinc/28/94/44/185289444.db2.gz KXJBAOIQIPLBQZ-UONOGXRCSA-N 1 0 314.223 1.639 10 0 DDAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NC(=O)c1cncc(Br)c1 ZINC000090311643 185290408 /nfs/dbraw/zinc/29/04/08/185290408.db2.gz ULXPSSJGJDKJEL-AXFHLTTASA-N 1 0 314.183 1.079 10 0 DDAERO C[NH2+][C@@H](C[S@@](=O)CCS(C)(=O)=O)c1ccc(C)cc1 ZINC000081993099 192352548 /nfs/dbraw/zinc/35/25/48/192352548.db2.gz RXYXFEAIIDEMHC-SCLBCKFNSA-N 1 0 303.449 1.049 10 0 DDAERO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090322108 185290865 /nfs/dbraw/zinc/29/08/65/185290865.db2.gz DGUKYPWWGHPRBA-IUCAKERBSA-N 1 0 321.229 1.833 10 0 DDAERO CCCNS(=O)(=O)c1ccccc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090322837 185291061 /nfs/dbraw/zinc/29/10/61/185291061.db2.gz YWWSIHAOOVMLAT-CHWSQXEVSA-N 1 0 309.435 1.031 10 0 DDAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1CC(=O)NCc1ccccc1Cl ZINC000090328035 185291455 /nfs/dbraw/zinc/29/14/55/185291455.db2.gz CIKZAUYPNJWBHY-MRVWCRGKSA-N 1 0 307.825 1.496 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000090336933 185291875 /nfs/dbraw/zinc/29/18/75/185291875.db2.gz SIXAQUHRJWOMGA-GXFFZTMASA-N 1 0 314.838 1.959 10 0 DDAERO C[C@H](C[NH3+])CSCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000090350976 185292062 /nfs/dbraw/zinc/29/20/62/185292062.db2.gz FHOPEUZUOTUHRZ-LLVKDONJSA-N 1 0 302.465 1.765 10 0 DDAERO C[C@H](C[NH3+])CSCC(=O)NC(=O)c1ccccc1Cl ZINC000090350981 185292126 /nfs/dbraw/zinc/29/21/26/185292126.db2.gz GWGMTKZTBZQXGF-SECBINFHSA-N 1 0 300.811 1.924 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000090432820 185295939 /nfs/dbraw/zinc/29/59/39/185295939.db2.gz NEUJELYPSKFRNP-ZYHUDNBSSA-N 1 0 312.753 1.300 10 0 DDAERO C[C@]1(C(=O)Nc2ncccc2Br)COC[C@H]1[NH3+] ZINC000090606001 185306419 /nfs/dbraw/zinc/30/64/19/185306419.db2.gz YRRXKYCJCOTOLC-KCJUWKMLSA-N 1 0 300.156 1.146 10 0 DDAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccsc1C(=O)OC ZINC000090543426 185302126 /nfs/dbraw/zinc/30/21/26/185302126.db2.gz PNXVIJIMEHSUJR-ONGXEEELSA-N 1 0 312.391 1.488 10 0 DDAERO CCS(=O)(=O)CCn1nc(C)c(CCC[NH2+]C(C)C)c1C ZINC000092323595 185312273 /nfs/dbraw/zinc/31/22/73/185312273.db2.gz MROVZJPDGACKMN-UHFFFAOYSA-N 1 0 315.483 1.865 10 0 DDAERO CN(C[C@@H]1CCC[N@@H+]1C)c1nc(Cl)nc(N2CCCC2)n1 ZINC000092664984 185332589 /nfs/dbraw/zinc/33/25/89/185332589.db2.gz XHLBASCHCOHHIR-NSHDSACASA-N 1 0 310.833 1.656 10 0 DDAERO CC1(C)C(CNS(=O)(=O)N2CCCC[C@@H]2C[NH3+])C1(C)C ZINC000092833133 185345016 /nfs/dbraw/zinc/34/50/16/185345016.db2.gz MEOSJQUHJCRBBJ-LLVKDONJSA-N 1 0 303.472 1.316 10 0 DDAERO CC[C@H]1CN(C(=O)NCCc2ccccn2)CC[N@@H+]1C[C@@H](C)O ZINC000181524942 199310424 /nfs/dbraw/zinc/31/04/24/199310424.db2.gz ZCBGCXKGIFMTIX-ZBFHGGJFSA-N 1 0 320.437 1.111 10 0 DDAERO Brc1ccc(-n2cncc2[C@H]2C[NH2+]CCO2)nc1 ZINC000097014081 185397320 /nfs/dbraw/zinc/39/73/20/185397320.db2.gz YMKCOQVHSANZQI-LLVKDONJSA-N 1 0 309.167 1.691 10 0 DDAERO CC(C)[C@@H](O)CC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000158839996 290748660 /nfs/dbraw/zinc/74/86/60/290748660.db2.gz MDVSZCQVBATLLH-INIZCTEOSA-N 1 0 308.422 1.650 10 0 DDAERO [NH3+]Cc1c(Sc2n[nH]c(=O)n2C2CC2)nc2ccccn21 ZINC000111566321 185613382 /nfs/dbraw/zinc/61/33/82/185613382.db2.gz FLNFCLSMLDLLPP-UHFFFAOYSA-N 1 0 302.363 1.164 10 0 DDAERO CCCN[C@](C)(C[C@@H](C)[N@H+](C)C[C@@H]1CCCO1)C(=O)OC ZINC000068633772 190777421 /nfs/dbraw/zinc/77/74/21/190777421.db2.gz LHPLPQAORCBALE-IJEWVQPXSA-N 1 0 300.443 1.807 10 0 DDAERO CC(C)(C)OC(=O)NC[C@@H]1C[NH2+]CCN1C(=O)OC(C)(C)C ZINC000616636258 362764586 /nfs/dbraw/zinc/76/45/86/362764586.db2.gz UDWUYJBUZCUNSZ-NSHDSACASA-N 1 0 315.414 1.720 10 0 DDAERO CC(C)N(CC(F)(F)F)C[C@]([NH2+]C1CC1)(C(N)=O)C1CC1 ZINC000069100914 190799727 /nfs/dbraw/zinc/79/97/27/190799727.db2.gz PYKPFADXULRQSG-CYBMUJFWSA-N 1 0 307.360 1.645 10 0 DDAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@@](O)(C(=O)OC(C)(C)C)C1 ZINC000685961855 539568478 /nfs/dbraw/zinc/56/84/78/539568478.db2.gz WXPQSVSZXRILLG-MEBBXXQBSA-N 1 0 316.398 1.027 10 0 DDAERO C[C@@H]1CCC[C@@H](C[NH3+])N1S(=O)(=O)N(C)Cc1ccccc1 ZINC000070153499 190863182 /nfs/dbraw/zinc/86/31/82/190863182.db2.gz HLEACEJAILDMTG-HIFRSBDPSA-N 1 0 311.451 1.565 10 0 DDAERO CCc1nc(S(=O)(=O)N2CCC[C@@H](C[NH2+]C(C)C)C2)c[nH]1 ZINC000070420351 190889232 /nfs/dbraw/zinc/88/92/32/190889232.db2.gz KVNNTYULHYRINN-LBPRGKRZSA-N 1 0 314.455 1.371 10 0 DDAERO CCS(=O)(=O)c1ccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000070574846 190906262 /nfs/dbraw/zinc/90/62/62/190906262.db2.gz CXNJHWFTWRQZNB-RYUDHWBXSA-N 1 0 310.419 1.936 10 0 DDAERO C[C@H]([NH3+])CCCCS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000083996888 192395077 /nfs/dbraw/zinc/39/50/77/192395077.db2.gz PYGNCIOBDZOJRZ-NSHDSACASA-N 1 0 319.448 1.381 10 0 DDAERO CC(C)(C)[NH2+]CC[S@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084055842 192397732 /nfs/dbraw/zinc/39/77/32/192397732.db2.gz CQJCFWFRHLSFGF-GOSISDBHSA-N 1 0 303.449 1.586 10 0 DDAERO C[NH2+][C@H](C)CCC[S@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084055455 192398044 /nfs/dbraw/zinc/39/80/44/192398044.db2.gz DJEHNOZLLGZGKR-ADLMAVQZSA-N 1 0 303.449 1.586 10 0 DDAERO [NH3+]C[C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000084270040 192418383 /nfs/dbraw/zinc/41/83/83/192418383.db2.gz YUUNJTZYPURILH-NHYWBVRUSA-N 1 0 311.403 1.749 10 0 DDAERO COCC(=O)NCCc1nc2ccccc2n1CCC[NH+](C)C ZINC000071482420 190984591 /nfs/dbraw/zinc/98/45/91/190984591.db2.gz 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C[C@H]([NH2+]CCCN1C(=O)CNC1=O)c1ccc(Cl)s1 ZINC000130227655 281371882 /nfs/dbraw/zinc/37/18/82/281371882.db2.gz NBVFTUAKZVVONU-QMMMGPOBSA-N 1 0 301.799 1.994 10 0 DDAERO Cc1ncc(/C=C/C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)s1 ZINC000246790579 282015724 /nfs/dbraw/zinc/01/57/24/282015724.db2.gz QOOBAFLAQQVEMD-RVAOTSRCSA-N 1 0 309.435 1.378 10 0 DDAERO NC(=O)[C@H]1CCCN(C(=O)CN2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000329262100 295019108 /nfs/dbraw/zinc/01/91/08/295019108.db2.gz FAQJFUYNZPMJDJ-GJZGRUSLSA-N 1 0 322.453 1.320 10 0 DDAERO [NH3+][C@H](C(=O)N1CCNC[C@@H]1c1ccccc1Cl)C1CCC1 ZINC000333251712 295327595 /nfs/dbraw/zinc/32/75/95/295327595.db2.gz GYKCMMKDVWMRII-CABCVRRESA-N 1 0 307.825 1.940 10 0 DDAERO CCCn1nccc1NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000173236904 298254159 /nfs/dbraw/zinc/25/41/59/298254159.db2.gz DBPYZIVYDTXWOB-QWHCGFSZSA-N 1 0 309.414 1.212 10 0 DDAERO C[C@@H](NC1CN(C(=O)OCc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400425339 302369366 /nfs/dbraw/zinc/36/93/66/302369366.db2.gz 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DDAERO COc1ccccc1CCC[NH+]1CCC([C@@H](O)C(N)=O)CC1 ZINC000299750606 534027706 /nfs/dbraw/zinc/02/77/06/534027706.db2.gz OAUKVTYGAYKPLF-MRXNPFEDSA-N 1 0 306.406 1.186 10 0 DDAERO CC(C)[N@@H+]1C[C@H](NC(=O)NC[C@@H](C)Cn2cccn2)[C@@H](C)C1 ZINC000158252869 519696185 /nfs/dbraw/zinc/69/61/85/519696185.db2.gz IZOYPXOKMJGLMN-ILXRZTDVSA-N 1 0 307.442 1.547 10 0 DDAERO CN(C(=O)c1cc(Br)cn1C)[C@H](C[NH3+])C1CC1 ZINC000159810517 523918038 /nfs/dbraw/zinc/91/80/38/523918038.db2.gz FXRWIFMAIFIGNB-LLVKDONJSA-N 1 0 300.200 1.597 10 0 DDAERO C[NH2+][C@@H](C)c1c(F)cccc1N1CCN(S(C)(=O)=O)CC1 ZINC000062084934 536350729 /nfs/dbraw/zinc/35/07/29/536350729.db2.gz CUZRMVLTXQJQKC-NSHDSACASA-N 1 0 315.414 1.188 10 0 DDAERO O=S1(=O)CC[C@H]([NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000037873824 696134271 /nfs/dbraw/zinc/13/42/71/696134271.db2.gz VSZKSHVINJZCNZ-RYUDHWBXSA-N 1 0 323.336 1.516 10 0 DDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000111263334 696642978 /nfs/dbraw/zinc/64/29/78/696642978.db2.gz OLQWTBFFSIMQRL-IUODEOHRSA-N 1 0 307.825 1.844 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC3(CC2)OCCO3)C1 ZINC000132239295 696813252 /nfs/dbraw/zinc/81/32/52/696813252.db2.gz YBKKDJKGFZIYTP-KGLIPLIRSA-N 1 0 311.426 1.264 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)CSc2n[n-]c(=S)s2)C1 ZINC000176236111 697403282 /nfs/dbraw/zinc/40/32/82/697403282.db2.gz JQVTXKFLQRAVSZ-QMMMGPOBSA-N 1 0 318.493 1.893 10 0 DDAERO COCC[N@@H+]1CCN(CCC(=O)OCc2ccccc2)C[C@H]1C ZINC000181451286 697460903 /nfs/dbraw/zinc/46/09/03/697460903.db2.gz QQWHRTVJKQGYSM-MRXNPFEDSA-N 1 0 320.433 1.772 10 0 DDAERO CC[C@H]1CN(Cn2cc([N+](=O)[O-])c(C)n2)CC[N@@H+]1CCOC ZINC000183337226 697487338 /nfs/dbraw/zinc/48/73/38/697487338.db2.gz CUZXHFBNLDPYEY-ZDUSSCGKSA-N 1 0 311.386 1.100 10 0 DDAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)COc3ccc4c(c3)CCC4)C[C@@H]12 ZINC000185087841 697513639 /nfs/dbraw/zinc/51/36/39/697513639.db2.gz QCILEEZZCAMTLM-DJIMGWMZSA-N 1 0 300.402 1.750 10 0 DDAERO CN(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)CC1([NH+](C)C)CCC1 ZINC000189800478 697580485 /nfs/dbraw/zinc/58/04/85/697580485.db2.gz YJWFWXKPGKSPFS-KBPBESRZSA-N 1 0 305.422 1.311 10 0 DDAERO C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1ccc(Cl)nc1Cl ZINC000193453635 697667874 /nfs/dbraw/zinc/66/78/74/697667874.db2.gz NLWKWJKCZVTFPJ-JGVFFNPUSA-N 1 0 324.233 1.807 10 0 DDAERO COc1nc(NC[C@H]2CCC[NH2+]C2)ncc1Br ZINC000235042629 697792648 /nfs/dbraw/zinc/79/26/48/697792648.db2.gz KHNNHCDEFWFACJ-QMMMGPOBSA-N 1 0 301.188 1.659 10 0 DDAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC000222997086 697760286 /nfs/dbraw/zinc/76/02/86/697760286.db2.gz GRVGTEODCGYJQM-JHJVBQTASA-N 1 0 311.426 1.691 10 0 DDAERO C[NH2+][C@@H]1CCCN(c2ncc(Br)c(OC)n2)C1 ZINC000234419395 697792082 /nfs/dbraw/zinc/79/20/82/697792082.db2.gz XJVIBCKFZXIRNK-MRVPVSSYSA-N 1 0 301.188 1.436 10 0 DDAERO CCCC(=O)N[C@H]1CCCN(C(=O)CCC2CC[NH2+]CC2)C1 ZINC000236726794 697799234 /nfs/dbraw/zinc/79/92/34/697799234.db2.gz JWJCTMOIAVKXFK-HNNXBMFYSA-N 1 0 309.454 1.674 10 0 DDAERO CC(C)C[C@@]1(C)CC(=O)N(CN2CC[N@@H+]3CCC[C@H]3C2)C1=O ZINC000246922399 698357651 /nfs/dbraw/zinc/35/76/51/698357651.db2.gz IKSLBUREVGCGGN-YOEHRIQHSA-N 1 0 307.438 1.535 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CC(c2ccccc2)=NO1 ZINC000247514568 698367097 /nfs/dbraw/zinc/36/70/97/698367097.db2.gz WDFSSMGFQZRIJV-UKPHBRMFSA-N 1 0 313.401 1.875 10 0 DDAERO CO[C@@H]1C[N@H+](Cn2cnc3c2ncnc3NC(C)C)CC[C@H]1C ZINC000249847887 698397796 /nfs/dbraw/zinc/39/77/96/698397796.db2.gz OTFGFVVZAJDHPT-CHWSQXEVSA-N 1 0 318.425 1.961 10 0 DDAERO C[NH+](C)[C@H](CNC(=O)C1([NH3+])CCOCC1)c1cccc(F)c1 ZINC000261787392 698437682 /nfs/dbraw/zinc/43/76/82/698437682.db2.gz HYNYDTYGMBPTRY-CQSZACIVSA-N 1 0 309.385 1.053 10 0 DDAERO COc1ccccc1[C@H](NC(=O)C[C@H](C)[NH3+])c1noc(C)n1 ZINC000261821813 698439629 /nfs/dbraw/zinc/43/96/29/698439629.db2.gz IGDWMTXEUCWGGK-XPTSAGLGSA-N 1 0 304.350 1.330 10 0 DDAERO CCn1nccc1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702766253 699232433 /nfs/dbraw/zinc/23/24/33/699232433.db2.gz MOERZFLAIDCGLC-OCCSQVGLSA-N 1 0 324.425 1.220 10 0 DDAERO Cc1cnn(C)c1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702838642 699233812 /nfs/dbraw/zinc/23/38/12/699233812.db2.gz MPVVPIIYRYVHBL-OCCSQVGLSA-N 1 0 324.425 1.046 10 0 DDAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CCO1 ZINC000705673447 699241761 /nfs/dbraw/zinc/24/17/61/699241761.db2.gz PVIBWHFDLOLPNZ-AAVRWANBSA-N 1 0 314.426 1.371 10 0 DDAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000706739125 699244396 /nfs/dbraw/zinc/24/43/96/699244396.db2.gz XGHCDWFZISOBBW-DGAVXFQQSA-N 1 0 314.426 1.514 10 0 DDAERO CO[C@@]1(C[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)CCOC1 ZINC000711488962 699258150 /nfs/dbraw/zinc/25/81/50/699258150.db2.gz BNVDVCNMKJMBFR-SEEARECTSA-N 1 0 314.426 1.685 10 0 DDAERO Cc1ocnc1C(=O)NCc1cc(O[C@@H]2CC[NH2+]C2)ccn1 ZINC000818243689 702615030 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Cc1oncc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000074667656 185007434 /nfs/dbraw/zinc/00/74/34/185007434.db2.gz AXBNSNGQQNKMEP-UHFFFAOYSA-N 1 0 300.362 1.987 10 0 DDAERO C[C@H](C[S@@](C)=O)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000248473694 282086700 /nfs/dbraw/zinc/08/67/00/282086700.db2.gz WWWDXVRWERZGEO-SQHYZVFZSA-N 1 0 318.483 1.990 10 0 DDAERO COc1ccc(CN2CCC2)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000095498877 185374747 /nfs/dbraw/zinc/37/47/47/185374747.db2.gz LMYRDNFFCMVWDL-MRXNPFEDSA-N 1 0 320.433 1.736 10 0 DDAERO COc1ccc([C@@H]([NH3+])CSCCS(C)(=O)=O)cc1OC ZINC000081769054 192322481 /nfs/dbraw/zinc/32/24/81/192322481.db2.gz RDPBQCRFGWULQB-NSHDSACASA-N 1 0 319.448 1.481 10 0 DDAERO CCn1c(=O)[nH]nc1S[C@H]1CCc2ccccc2[C@@H]1[NH2+]C ZINC000081879902 192334163 /nfs/dbraw/zinc/33/41/63/192334163.db2.gz VJJKWMHQTJFPMI-STQMWFEESA-N 1 0 304.419 1.959 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(N)c(Br)c2)C1 ZINC000078894966 185124024 /nfs/dbraw/zinc/12/40/24/185124024.db2.gz WFRKNGRXDRGFLY-JTQLQIEISA-N 1 0 312.211 1.807 10 0 DDAERO C[NH2+][C@@H]1c2ccc(OC)cc2CC[C@H]1S(=O)(=O)CCOC ZINC000081943182 192344015 /nfs/dbraw/zinc/34/40/15/192344015.db2.gz VDBLEUVBOUSBNI-HUUCEWRRSA-N 1 0 313.419 1.332 10 0 DDAERO CCC[C@H]1CCCN(C2(C[NH3+])CCS(=O)(=O)CC2)CC1 ZINC000079305657 185163921 /nfs/dbraw/zinc/16/39/21/185163921.db2.gz JYWASOGRCZLYAQ-AWEZNQCLSA-N 1 0 302.484 1.795 10 0 DDAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccc(Br)s1 ZINC000082559577 185191052 /nfs/dbraw/zinc/19/10/52/185191052.db2.gz BWXKPBUTIOMKGH-CBAPKCEASA-N 1 0 303.225 1.982 10 0 DDAERO O=S1(=O)CCCN1CC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000328667800 231298791 /nfs/dbraw/zinc/29/87/91/231298791.db2.gz LAKYJVSMUCWJES-LBPRGKRZSA-N 1 0 315.464 1.358 10 0 DDAERO CCOc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C(C)C)cc1C ZINC000087404551 185223963 /nfs/dbraw/zinc/22/39/63/185223963.db2.gz GUMWCVQQTHLJIF-ZDUSSCGKSA-N 1 0 300.424 1.655 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1CNCc1sccc1Br ZINC000087575908 185228801 /nfs/dbraw/zinc/22/88/01/185228801.db2.gz PQHJDNXWGLIHDK-WPRPVWTQSA-N 1 0 305.241 1.835 10 0 DDAERO CN(Cc1ccccn1)c1nc(NN)[nH+]cc1Br ZINC000087854136 185233574 /nfs/dbraw/zinc/23/35/74/185233574.db2.gz KARMFZIUFGVWNT-UHFFFAOYSA-N 1 0 309.171 1.556 10 0 DDAERO [NH3+][C@H](Cc1ccc(F)c(Br)c1)[C@H]1COCCO1 ZINC000087857374 185233660 /nfs/dbraw/zinc/23/36/60/185233660.db2.gz CDFQFHOVXUFYQN-VXGBXAGGSA-N 1 0 304.159 1.873 10 0 DDAERO CCC(CC)N(CCO)c1nc(NN)[nH+]cc1Br ZINC000087866609 185233764 /nfs/dbraw/zinc/23/37/64/185233764.db2.gz BKHGHNQZHKLGQD-UHFFFAOYSA-N 1 0 318.219 1.512 10 0 DDAERO NNc1nc(NCC[C@@H]2CCCO2)c(Br)c[nH+]1 ZINC000087867861 185234044 /nfs/dbraw/zinc/23/40/44/185234044.db2.gz AVZKRXXSEDJPBF-ZETCQYMHSA-N 1 0 302.176 1.506 10 0 DDAERO O=C1C[NH2+]CCCN1Cc1ccc(F)c(Br)c1 ZINC000087882071 185234370 /nfs/dbraw/zinc/23/43/70/185234370.db2.gz PCLGWMGMYNIUDT-UHFFFAOYSA-N 1 0 301.159 1.910 10 0 DDAERO CCOC(=O)CS(=O)(=O)C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000081977031 192348021 /nfs/dbraw/zinc/34/80/21/192348021.db2.gz RNTJHAYZJVGYGT-CQSZACIVSA-N 1 0 313.419 1.788 10 0 DDAERO O=C1CCCN1C[C@H](O)C[NH2+][C@H](CCCO)c1ccccc1 ZINC000179740535 539234774 /nfs/dbraw/zinc/23/47/74/539234774.db2.gz BBDFXDMYIOIULO-HZPDHXFCSA-N 1 0 306.406 1.073 10 0 DDAERO Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H](O)CN1CCc2ccccc2C1 ZINC000180088824 539235302 /nfs/dbraw/zinc/23/53/02/539235302.db2.gz WURSGOMFUCXUTQ-DYVFJYSZSA-N 1 0 314.433 1.788 10 0 DDAERO NC(=[NH2+])CC1(CN2CCn3c(nnc3C(F)(F)F)C2)CC1 ZINC000088258707 185244091 /nfs/dbraw/zinc/24/40/91/185244091.db2.gz QDIHOUFHYXJUMJ-UHFFFAOYSA-N 1 0 302.304 1.219 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC000182982652 539240577 /nfs/dbraw/zinc/24/05/77/539240577.db2.gz FOLHHCLLZFEUPK-HNNXBMFYSA-N 1 0 315.417 1.666 10 0 DDAERO C[C@@H]([NH2+]CC(=O)N1CCN(Cc2ccco2)CC1)[C@H]1CCCO1 ZINC000183116585 539240947 /nfs/dbraw/zinc/24/09/47/539240947.db2.gz OYUBAPGHJDNYGV-GDBMZVCRSA-N 1 0 321.421 1.081 10 0 DDAERO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCCO2)c1 ZINC000183131404 539241007 /nfs/dbraw/zinc/24/10/07/539241007.db2.gz QQLJQDVFIGTIAZ-XHDPSFHLSA-N 1 0 305.378 1.741 10 0 DDAERO CC[C@@H](C[NH3+])S(=O)(=O)N(C)[C@@H](C)Cc1ccccc1OC ZINC000088474407 185252298 /nfs/dbraw/zinc/25/22/98/185252298.db2.gz KJLNSAHIYQLASV-JSGCOSHPSA-N 1 0 314.451 1.625 10 0 DDAERO COc1ccccc1OCC[C@H](C[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000088414482 185249138 /nfs/dbraw/zinc/24/91/38/185249138.db2.gz RXUYBADZQIRLRJ-CHWSQXEVSA-N 1 0 313.419 1.474 10 0 DDAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N(C)CC(F)(F)F)o1 ZINC000088543975 185256950 /nfs/dbraw/zinc/25/69/50/185256950.db2.gz KKACACYYMLONKL-UHFFFAOYSA-N 1 0 314.329 1.962 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(CC)[C@H](C)COC)o1 ZINC000088544089 185256662 /nfs/dbraw/zinc/25/66/62/185256662.db2.gz NJFKFHZWVYQEHU-LLVKDONJSA-N 1 0 304.412 1.435 10 0 DDAERO Cc1nn(C)c2sc(C(=O)NC[C@H]3CC[N@H+](C)C3)c(N)c12 ZINC000088640949 185260893 /nfs/dbraw/zinc/26/08/93/185260893.db2.gz 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CCCN(CC[NH+](C)C)S(=O)(=O)c1cc(N)c(F)cc1C ZINC000094779595 193397334 /nfs/dbraw/zinc/39/73/34/193397334.db2.gz AFXCGZMXZBWRDT-UHFFFAOYSA-N 1 0 317.430 1.679 10 0 DDAERO CC[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccnn1C ZINC000097309225 193706752 /nfs/dbraw/zinc/70/67/52/193706752.db2.gz MFBBQVFTGBCLSC-QWHCGFSZSA-N 1 0 314.455 1.132 10 0 DDAERO c1cc2nonc2c(C[N@@H+]2CCC[C@H](N3CCOCC3)C2)c1 ZINC000019607582 182133757 /nfs/dbraw/zinc/13/37/57/182133757.db2.gz VMDAPKFMXIQHSI-AWEZNQCLSA-N 1 0 302.378 1.519 10 0 DDAERO CCCN(CCC)S(=O)(=O)c1ccc(OC)c(C[NH3+])c1 ZINC000020190017 182195399 /nfs/dbraw/zinc/19/53/99/182195399.db2.gz QTUKZTVSKNDPTJ-UHFFFAOYSA-N 1 0 300.424 1.965 10 0 DDAERO C[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)N1CC[NH2+]CC1 ZINC000020567363 182233034 /nfs/dbraw/zinc/23/30/34/182233034.db2.gz VDRJJKMUWXQODO-SNVBAGLBSA-N 1 0 302.296 1.905 10 0 DDAERO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cccc(O)c2)CC1 ZINC000021506026 182275750 /nfs/dbraw/zinc/27/57/50/182275750.db2.gz GIAZGUDLYYYRDC-GFCCVEGCSA-N 1 0 312.435 1.857 10 0 DDAERO Cc1cccc2[nH]c(CCC(=O)NC[C@@H]3CCC[NH2+]C3)nc21 ZINC000129972216 248283919 /nfs/dbraw/zinc/28/39/19/248283919.db2.gz KEINZZRVUWTKKB-CYBMUJFWSA-N 1 0 300.406 1.920 10 0 DDAERO CN(C)C(=O)CCOc1ccc(Br)cc1CC[NH3+] ZINC000037898291 182934914 /nfs/dbraw/zinc/93/49/14/182934914.db2.gz UAFRZJARDLECOO-UHFFFAOYSA-N 1 0 315.211 1.807 10 0 DDAERO Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@@H]2CCO[C@H](C)C2)no1 ZINC000329993799 248852608 /nfs/dbraw/zinc/85/26/08/248852608.db2.gz LSJYKXVEVYEBEP-CABNGKKXSA-N 1 0 312.389 1.448 10 0 DDAERO CCCNS(=O)(=O)c1ccc(N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000040673401 183116342 /nfs/dbraw/zinc/11/63/42/183116342.db2.gz BROAZQXHISUOBG-CQSZACIVSA-N 1 0 311.451 1.881 10 0 DDAERO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)N(C)Cc2ccccc2)C1 ZINC000040597678 183107057 /nfs/dbraw/zinc/10/70/57/183107057.db2.gz OZZDDACXUVKUFD-HNNXBMFYSA-N 1 0 311.451 1.295 10 0 DDAERO CC1CC[NH+](CCNS(=O)(=O)c2ccnc(Cl)c2)CC1 ZINC000040772480 183131574 /nfs/dbraw/zinc/13/15/74/183131574.db2.gz ICHSIWUMUGBSBZ-UHFFFAOYSA-N 1 0 317.842 1.745 10 0 DDAERO CC(C)CCCCCCNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000040830306 183139226 /nfs/dbraw/zinc/13/92/26/183139226.db2.gz AUJIVTAKHGPJAH-ZDUSSCGKSA-N 1 0 306.472 1.471 10 0 DDAERO CC[C@@H]([NH3+])C(=O)NCCc1ccc(OC(F)F)c(OC)c1 ZINC000040832970 183139557 /nfs/dbraw/zinc/13/95/57/183139557.db2.gz IVQIOXMFBVGIGM-SNVBAGLBSA-N 1 0 302.321 1.693 10 0 DDAERO CCC[C@@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000040854632 183142122 /nfs/dbraw/zinc/14/21/22/183142122.db2.gz VLFKXLWAHNHZLA-CYBMUJFWSA-N 1 0 313.423 1.439 10 0 DDAERO CCOc1ccc(Br)cc1[C@@H]([NH3+])COCC(N)=O ZINC000041072189 183163418 /nfs/dbraw/zinc/16/34/18/183163418.db2.gz LFRYEACWKWEASU-JTQLQIEISA-N 1 0 317.183 1.350 10 0 DDAERO C[NH+](C)CCCCNS(=O)(=O)c1ccc2c(c1)CCCN2 ZINC000041681809 183217174 /nfs/dbraw/zinc/21/71/74/183217174.db2.gz GCJABPHWEJSVBR-UHFFFAOYSA-N 1 0 311.451 1.665 10 0 DDAERO [NH3+]Cc1cccc(Br)c1OCC(=O)N1CCCC1 ZINC000042411359 183265319 /nfs/dbraw/zinc/26/53/19/183265319.db2.gz PPMDDKQFUODBJI-UHFFFAOYSA-N 1 0 313.195 1.909 10 0 DDAERO CC(C)[NH2+]Cc1cccc(Br)c1OCC(N)=O ZINC000042411883 183266183 /nfs/dbraw/zinc/26/61/83/183266183.db2.gz VOXTZFGCRMCVHW-UHFFFAOYSA-N 1 0 301.184 1.811 10 0 DDAERO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)C[C@@H](C)C(N)=S ZINC000042444667 183271125 /nfs/dbraw/zinc/27/11/25/183271125.db2.gz NJOWVVCPQDYBHU-LLVKDONJSA-N 1 0 309.435 1.878 10 0 DDAERO COC[C@H](O)C[N@H+](C)CCOc1cccc(Br)c1 ZINC000042514043 183278703 /nfs/dbraw/zinc/27/87/03/183278703.db2.gz HPEWMCBMGBWRRE-GFCCVEGCSA-N 1 0 318.211 1.767 10 0 DDAERO CCC(CC)N(CCOC)S(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000042689764 183295923 /nfs/dbraw/zinc/29/59/23/183295923.db2.gz AMBVJOXAZQQHPJ-ZDUSSCGKSA-N 1 0 306.472 1.595 10 0 DDAERO C[C@H]([NH3+])[C@H](c1cccc(F)c1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000042972086 183324562 /nfs/dbraw/zinc/32/45/62/183324562.db2.gz KLUAAQQXVSNYMJ-ZLKJLUDKSA-N 1 0 300.399 1.333 10 0 DDAERO C[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCS(=O)(=O)CC1 ZINC000043014583 183327675 /nfs/dbraw/zinc/32/76/75/183327675.db2.gz YKQRKWVWSLMIEV-ZWNOBZJWSA-N 1 0 302.827 1.459 10 0 DDAERO C[NH+](C)C(C)(C)CNS(=O)(=O)c1ccc(Cl)c(N)c1 ZINC000043411106 183359514 /nfs/dbraw/zinc/35/95/14/183359514.db2.gz QIFHOMZDELCSIL-UHFFFAOYSA-N 1 0 305.831 1.541 10 0 DDAERO C[C@H](C(=O)N1CC[NH2+]CC1)N(C)Cc1ccc(Cl)s1 ZINC000043403628 183358727 /nfs/dbraw/zinc/35/87/27/183358727.db2.gz XXGLJKNBBBUMLL-SNVBAGLBSA-N 1 0 301.843 1.654 10 0 DDAERO Cc1ccc(OCC(=O)N2CC[NH2+]CC2)c(Br)c1 ZINC000043404075 183358980 /nfs/dbraw/zinc/35/89/80/183358980.db2.gz JPPCFSAAPQHLTO-UHFFFAOYSA-N 1 0 313.195 1.568 10 0 DDAERO CCCCOCCOC[C@@H](O)C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000044721781 183435583 /nfs/dbraw/zinc/43/55/83/183435583.db2.gz IYQUDAVXZBTXTN-HOCLYGCPSA-N 1 0 300.443 1.007 10 0 DDAERO COc1ccc(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)c(OC)c1 ZINC000044492911 183414384 /nfs/dbraw/zinc/41/43/84/183414384.db2.gz QEYHDFKJZLFYHR-NSHDSACASA-N 1 0 314.407 1.124 10 0 DDAERO CN(C)c1ncccc1CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105125958 194076079 /nfs/dbraw/zinc/07/60/79/194076079.db2.gz OXULFMSTKAZYBY-HNNXBMFYSA-N 1 0 317.437 1.527 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2nnc(C(C)C)n2C)C[C@H]1CC ZINC000105838605 194144384 /nfs/dbraw/zinc/14/43/84/194144384.db2.gz SCLQLWFOGWFRHN-OAHLLOKOSA-N 1 0 323.485 1.871 10 0 DDAERO Cn1cc(CN2CCC[N@H+](C[C@H](O)c3ccccc3)CC2)cn1 ZINC000105869548 194151491 /nfs/dbraw/zinc/15/14/91/194151491.db2.gz XSQKXIMHEPFXSM-SFHVURJKSA-N 1 0 314.433 1.661 10 0 DDAERO c1ncn([C@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000105899163 194164243 /nfs/dbraw/zinc/16/42/43/194164243.db2.gz YHOBKMQSACKSJV-AWEZNQCLSA-N 1 0 300.362 1.886 10 0 DDAERO CC[C@@H]1CN(CC(=O)Nc2c(C)n[nH]c2C)CC[N@@H+]1CCOC ZINC000105914543 194168168 /nfs/dbraw/zinc/16/81/68/194168168.db2.gz DOFSVZNKJNZYBZ-CQSZACIVSA-N 1 0 323.441 1.008 10 0 DDAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)N1CCCc2ccccc21 ZINC000105932902 194173561 /nfs/dbraw/zinc/17/35/61/194173561.db2.gz FRIBTISCGBOFFW-GOEBONIOSA-N 1 0 317.433 1.275 10 0 DDAERO CC[C@@H]1CO[C@H](C)CN1S(=O)(=O)CCC1CC[NH2+]CC1 ZINC000048916436 183695856 /nfs/dbraw/zinc/69/58/56/183695856.db2.gz HWVTUWFHRIYNKC-TZMCWYRMSA-N 1 0 304.456 1.205 10 0 DDAERO COc1ccccc1N(C)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000049973135 183766560 /nfs/dbraw/zinc/76/65/60/183766560.db2.gz BXCHDMKMGCNGRZ-ZDUSSCGKSA-N 1 0 312.435 1.993 10 0 DDAERO CCCOCCC(=O)N1CC[NH+]([C@H](CCC)C(N)=S)CC1 ZINC000109464681 194266111 /nfs/dbraw/zinc/26/61/11/194266111.db2.gz DAQOZKBCWPUMFH-CYBMUJFWSA-N 1 0 315.483 1.402 10 0 DDAERO CC[C@@H](C(N)=S)[NH+]1CCN(C(=O)Oc2ccccc2)CC1 ZINC000109466539 194267317 /nfs/dbraw/zinc/26/73/17/194267317.db2.gz RBSBKGAIUOXSKD-ZDUSSCGKSA-N 1 0 307.419 1.868 10 0 DDAERO C[N@@H+]1CCN(C(=O)[C@H](C(N)=S)c2ccccc2)CC1(C)C ZINC000110753326 194356777 /nfs/dbraw/zinc/35/67/77/194356777.db2.gz CIDNZVHLBLNWBF-ZDUSSCGKSA-N 1 0 305.447 1.609 10 0 DDAERO C[C@@H](C(=O)Nc1cc(Cl)ccc1N)N1CC[N@H+](C)[C@@H](C)C1 ZINC000110700110 194352333 /nfs/dbraw/zinc/35/23/33/194352333.db2.gz HLKQOTZKMQVGHD-QWRGUYRKSA-N 1 0 310.829 1.885 10 0 DDAERO CN(C)C(=O)C[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000110820583 194361211 /nfs/dbraw/zinc/36/12/11/194361211.db2.gz HNHYFGFQXBBDKJ-CYBMUJFWSA-N 1 0 311.223 1.984 10 0 DDAERO O=C1CC[C@@H]([NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)CN1 ZINC000111019518 194383954 /nfs/dbraw/zinc/38/39/54/194383954.db2.gz QWPODAJFDAAZIZ-VXGBXAGGSA-N 1 0 302.296 1.607 10 0 DDAERO CCOC(=O)[C@](C)(CCC[N@H+](C)C[C@@H]1CCCOC1)NC ZINC000111169894 194398418 /nfs/dbraw/zinc/39/84/18/194398418.db2.gz CYNAFOALVMHSNB-HOCLYGCPSA-N 1 0 300.443 1.666 10 0 DDAERO CCN[C@](C)(CCC[N@H+](C)CC1CCOCC1)C(=O)OC ZINC000111170132 194398450 /nfs/dbraw/zinc/39/84/50/194398450.db2.gz PCNYKOYNVUQDEG-MRXNPFEDSA-N 1 0 300.443 1.666 10 0 DDAERO C[C@@H](CNC(=O)c1cc(N)c(F)cc1Br)[NH+](C)C ZINC000061088509 184161410 /nfs/dbraw/zinc/16/14/10/184161410.db2.gz XRSBUAPAMHSTCH-ZETCQYMHSA-N 1 0 318.190 1.850 10 0 DDAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc(NS(C)(=O)=O)c(C)c1 ZINC000061271021 184167187 /nfs/dbraw/zinc/16/71/87/184167187.db2.gz VQHJTLMBQXNPET-NSHDSACASA-N 1 0 313.423 1.693 10 0 DDAERO CCCC(CCC)(C(N)=S)C(=O)NCC[N@H+](C)CCOC ZINC000061381035 184170512 /nfs/dbraw/zinc/17/05/12/184170512.db2.gz HSWZVSRRWWRKFL-UHFFFAOYSA-N 1 0 317.499 1.554 10 0 DDAERO C[NH+](C)CC(C)(C)CNc1nc(Cl)nc(-n2cccn2)n1 ZINC000061536347 184172356 /nfs/dbraw/zinc/17/23/56/184172356.db2.gz PJUTXSYYQCUEBO-UHFFFAOYSA-N 1 0 309.805 1.710 10 0 DDAERO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H](C(N)=S)c1ccccc1 ZINC000061616469 184178661 /nfs/dbraw/zinc/17/86/61/184178661.db2.gz BZQGDHQVBWLURJ-KGLIPLIRSA-N 1 0 307.463 1.759 10 0 DDAERO CCOC(=O)C1CCN(Cc2[nH+]c(NN)ccc2Cl)CC1 ZINC000061639050 184179612 /nfs/dbraw/zinc/17/96/12/184179612.db2.gz GJNSCHQPULIJQF-UHFFFAOYSA-N 1 0 312.801 1.796 10 0 DDAERO Cc1cc(N)cc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)c1C ZINC000061642513 184180394 /nfs/dbraw/zinc/18/03/94/184180394.db2.gz VCPKFDXGBKRJQV-CQSZACIVSA-N 1 0 311.451 1.600 10 0 DDAERO Cc1nc(Cl)sc1S(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061644662 184180486 /nfs/dbraw/zinc/18/04/86/184180486.db2.gz DOUYSSSKTXDKPT-SECBINFHSA-N 1 0 323.871 1.820 10 0 DDAERO NC(=S)c1ncccc1CN1CC[NH+](C2CCCC2)CC1 ZINC000061663669 184182018 /nfs/dbraw/zinc/18/20/18/184182018.db2.gz DNXAFZDAYOVIRE-UHFFFAOYSA-N 1 0 304.463 1.776 10 0 DDAERO C[C@@H]([NH3+])[C@@H](c1ccccn1)N1CCN(CC(F)(F)F)CC1 ZINC000061940820 184197281 /nfs/dbraw/zinc/19/72/81/184197281.db2.gz SAUZKFZFBQXQFH-YPMHNXCESA-N 1 0 302.344 1.650 10 0 DDAERO C[NH2+]Cc1oc(CN2CCN(CC(F)(F)F)CC2)cc1C ZINC000061948489 184198209 /nfs/dbraw/zinc/19/82/09/184198209.db2.gz DJIPDQANUWQOHT-UHFFFAOYSA-N 1 0 305.344 1.987 10 0 DDAERO Cc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)cc1N ZINC000062069415 184203953 /nfs/dbraw/zinc/20/39/53/184203953.db2.gz BZJCPMYSVXWSNX-LBPRGKRZSA-N 1 0 311.451 1.587 10 0 DDAERO C[C@@H]1CC(C)(C)C[C@](C[NH3+])(N2CCN(S(C)(=O)=O)CC2)C1 ZINC000062082485 184204837 /nfs/dbraw/zinc/20/48/37/184204837.db2.gz RMSUWOMHMLBUNU-UKRRQHHQSA-N 1 0 317.499 1.107 10 0 DDAERO CCNS(=O)(=O)NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000062370558 184233514 /nfs/dbraw/zinc/23/35/14/184233514.db2.gz UKTYLDYJOYQASC-CQSZACIVSA-N 1 0 315.414 1.407 10 0 DDAERO CC1(C(=O)N2CCN(Cc3ccsc3)CC2)CC[NH2+]CC1 ZINC000062840518 184255831 /nfs/dbraw/zinc/25/58/31/184255831.db2.gz IGMLUTWKYQABNZ-UHFFFAOYSA-N 1 0 307.463 1.782 10 0 DDAERO O=S1(=O)CC[C@@H]([NH2+][C@H]2CCC[C@@H](OCC(F)(F)F)C2)C1 ZINC000062962261 184262448 /nfs/dbraw/zinc/26/24/48/184262448.db2.gz JOISYYJFJRWBGU-HBNTYKKESA-N 1 0 315.357 1.653 10 0 DDAERO O=S1(=O)CC[C@H]([NH2+]CCc2nnc(-c3ccccc3)o2)C1 ZINC000062653164 184246451 /nfs/dbraw/zinc/24/64/51/184246451.db2.gz WASLKTRGZYGVCH-LBPRGKRZSA-N 1 0 307.375 1.056 10 0 DDAERO C[C@H]([NH3+])[C@H]1CCCCN1Cc1csc(CC(=O)N(C)C)n1 ZINC000063194688 184277711 /nfs/dbraw/zinc/27/77/11/184277711.db2.gz HUZROAFDGWZIRG-WCQYABFASA-N 1 0 310.467 1.476 10 0 DDAERO [NH3+][C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000063213851 184278958 /nfs/dbraw/zinc/27/89/58/184278958.db2.gz ZVHZNYKGODKSFE-OLZOCXBDSA-N 1 0 304.362 1.903 10 0 DDAERO [NH3+][C@H]1CCCCC[C@@H]1NS(=O)(=O)Cc1ccc(F)cc1 ZINC000063213628 184279064 /nfs/dbraw/zinc/27/90/64/184279064.db2.gz UOAGKKVAUCCIPE-KBPBESRZSA-N 1 0 300.399 1.905 10 0 DDAERO O=S(=O)(Nc1ccc(N2CCCC2)cc1)C1CC[NH2+]CC1 ZINC000062996932 184265055 /nfs/dbraw/zinc/26/50/55/184265055.db2.gz BWGFOIVRJZKYSI-UHFFFAOYSA-N 1 0 309.435 1.781 10 0 DDAERO CCOc1cc(C[C@H](C)[NH3+])ccc1OCCCS(C)(=O)=O ZINC000063017552 184267058 /nfs/dbraw/zinc/26/70/58/184267058.db2.gz JSGPWBNIOZIJQM-LBPRGKRZSA-N 1 0 315.435 1.789 10 0 DDAERO COc1ccc(C[C@@H]([NH3+])CCCS(C)(=O)=O)cc1OC ZINC000063017027 184267157 /nfs/dbraw/zinc/26/71/57/184267157.db2.gz NTXJWGGJSYHUBA-LBPRGKRZSA-N 1 0 301.408 1.398 10 0 DDAERO O=S(=O)(CC[C@@H]1CCCC[NH2+]1)NCCc1nccs1 ZINC000063136154 184273185 /nfs/dbraw/zinc/27/31/85/184273185.db2.gz PRHWWOPVIDMQJS-NSHDSACASA-N 1 0 303.453 1.137 10 0 DDAERO COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2[NH3+])cc1Cl ZINC000063175135 184276283 /nfs/dbraw/zinc/27/62/83/184276283.db2.gz UPEWMLDYBZVDTR-GHMZBOCLSA-N 1 0 304.799 1.507 10 0 DDAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)NCCC[NH+]1CCCC1 ZINC000066067634 184386464 /nfs/dbraw/zinc/38/64/64/184386464.db2.gz SGTWUOWZRULSHM-AWEZNQCLSA-N 1 0 318.421 1.799 10 0 DDAERO CC(C)(C)[NH2+]CC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000066212388 184397224 /nfs/dbraw/zinc/39/72/24/184397224.db2.gz FRFLVYFAMVUPRL-UHFFFAOYSA-N 1 0 319.405 1.486 10 0 DDAERO CCOC[C@H](O)COc1c(Br)cccc1C[NH3+] ZINC000069275670 184506199 /nfs/dbraw/zinc/50/61/99/184506199.db2.gz NCPKPWMBJARUJG-JTQLQIEISA-N 1 0 304.184 1.684 10 0 DDAERO CCc1ccc([C@H](C)[NH2+]CC(=O)NC(=O)N[C@@H](C)COC)cc1 ZINC000120425355 195164310 /nfs/dbraw/zinc/16/43/10/195164310.db2.gz SKYYTIANHGHYPZ-STQMWFEESA-N 1 0 321.421 1.760 10 0 DDAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)CCc3ccnn3C)CC2)CCO1 ZINC000120503626 195179513 /nfs/dbraw/zinc/17/95/13/195179513.db2.gz ICLKASGAQUTDFW-CQSZACIVSA-N 1 0 320.437 1.064 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C(C)C)N1CCCC1=O ZINC000177001151 285271911 /nfs/dbraw/zinc/27/19/11/285271911.db2.gz HOOHKJRXLLKFJM-GOEBONIOSA-N 1 0 309.454 1.576 10 0 DDAERO CCOC(=O)c1ccc(CN2CC[N@H+](C[C@@H](C)O)[C@@H](CC)C2)o1 ZINC000120758832 195231230 /nfs/dbraw/zinc/23/12/30/195231230.db2.gz WMCMQQPZFMMXAO-KGLIPLIRSA-N 1 0 324.421 1.733 10 0 DDAERO CN(C)C[C@@H](NS(=O)(=O)c1cccnc1)c1ccccc1 ZINC000120695102 195218340 /nfs/dbraw/zinc/21/83/40/195218340.db2.gz DPCXTCIZEODBSV-OAHLLOKOSA-N 1 0 305.403 1.663 10 0 DDAERO COCCOc1ccc(CN2CC[N@H+](CCOC)[C@H](C)C2)cc1 ZINC000120846105 195248494 /nfs/dbraw/zinc/24/84/94/195248494.db2.gz UGJZPXOTIGELFL-MRXNPFEDSA-N 1 0 322.449 1.864 10 0 DDAERO Cc1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cn1 ZINC000120859778 195252700 /nfs/dbraw/zinc/25/27/00/195252700.db2.gz 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1 0 305.422 1.728 10 0 DDAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2nccs2)CC1 ZINC000112712100 407437156 /nfs/dbraw/zinc/43/71/56/407437156.db2.gz BXNQBGDVHFJKDE-LLVKDONJSA-N 1 0 312.439 1.700 10 0 DDAERO O[C@@H](COC1CCOCC1)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000127469490 407438004 /nfs/dbraw/zinc/43/80/04/407438004.db2.gz NREMBDYNINWOCO-CQSZACIVSA-N 1 0 309.410 1.146 10 0 DDAERO CC(C)CCOCCNC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113271360 407487785 /nfs/dbraw/zinc/48/77/85/407487785.db2.gz LEKDCMXIQIIYPH-HZPDHXFCSA-N 1 0 311.470 1.334 10 0 DDAERO CNC(=O)[C@H](NC(=O)NCCC[NH+](C(C)C)C(C)C)C(C)C ZINC000178451808 407459435 /nfs/dbraw/zinc/45/94/35/407459435.db2.gz JZMKNXFFVJAESM-CQSZACIVSA-N 1 0 314.474 1.565 10 0 DDAERO COC[C@@]1(CNc2ccc(S(C)(=O)=O)cc2F)CCC[NH2+]1 ZINC000261663104 407571663 /nfs/dbraw/zinc/57/16/63/407571663.db2.gz KUJSTNPVTLRZPN-AWEZNQCLSA-N 1 0 316.398 1.410 10 0 DDAERO COC(=O)C(C)(C)c1ccc(NC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261662573 407572352 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C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@H]1[NH3+] ZINC000261549074 407542515 /nfs/dbraw/zinc/54/25/15/407542515.db2.gz GIZQEAGBBOLAAC-WRWORJQWSA-N 1 0 309.218 1.961 10 0 DDAERO Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170873606 407542551 /nfs/dbraw/zinc/54/25/51/407542551.db2.gz AEPLWMGHGKDYDU-LBPRGKRZSA-N 1 0 302.827 1.973 10 0 DDAERO [NH3+]C1(C(=O)NCC2(c3ccc(Cl)cc3)CC2)CCOCC1 ZINC000261744000 407597133 /nfs/dbraw/zinc/59/71/33/407597133.db2.gz DVLZYOQFYMGMMC-UHFFFAOYSA-N 1 0 308.809 1.996 10 0 DDAERO COc1ccc(C)cc1S(=O)(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261748621 407600039 /nfs/dbraw/zinc/60/00/39/407600039.db2.gz SUTGYVYIOAABEQ-AVGNSLFASA-N 1 0 310.419 1.361 10 0 DDAERO CCCNC(=O)[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)c2ccccc2O1 ZINC000261764432 407607170 /nfs/dbraw/zinc/60/71/70/407607170.db2.gz DFUSULCJCUVKJE-PBHICJAKSA-N 1 0 317.433 1.780 10 0 DDAERO [NH3+][C@@H](C(=O)N(CCC(F)(F)F)CC1CC1)C1CCOCC1 ZINC000261790822 407615621 /nfs/dbraw/zinc/61/56/21/407615621.db2.gz 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10 0 DDAERO COC[C@H]([NH3+])C(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000262238026 407771601 /nfs/dbraw/zinc/77/16/01/407771601.db2.gz HNBPWPNCRMONRX-STQMWFEESA-N 1 0 316.760 1.353 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)CCc2ccncc2)C[C@@H]1CC ZINC000116769948 407771817 /nfs/dbraw/zinc/77/18/17/407771817.db2.gz XQQRMKSGXZYPNA-KRWDZBQOSA-N 1 0 319.449 1.974 10 0 DDAERO Cc1ccc(O[C@H](C)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000116784761 407775263 /nfs/dbraw/zinc/77/52/63/407775263.db2.gz IEVZZYJAPYDIHE-ZBFHGGJFSA-N 1 0 306.406 1.551 10 0 DDAERO Cc1ccccc1OCCCC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116785921 407776064 /nfs/dbraw/zinc/77/60/64/407776064.db2.gz UFTXZYPKRIKQQE-INIZCTEOSA-N 1 0 320.433 1.943 10 0 DDAERO CC(C)[N@H+]1C[C@H](NC(=O)NCC(=O)Nc2cccnc2)[C@@H](C)C1 ZINC000132323538 407777179 /nfs/dbraw/zinc/77/71/79/407777179.db2.gz NXVORWOFHUOADS-JSGCOSHPSA-N 1 0 319.409 1.048 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccn(-c3ccccc3)n2)CCO1 ZINC000116795565 407779460 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CCC[C@H](C(=O)N1CCC(Nc2cccnn2)CC1)[NH+](C)C ZINC000163395744 520971541 /nfs/dbraw/zinc/97/15/41/520971541.db2.gz XNFNBMITNXBAQP-CQSZACIVSA-N 1 0 305.426 1.610 10 0 DDAERO CCC[NH+]1CCN(c2nc(Cl)nc(N(CC)CC)n2)CC1 ZINC000061522499 534937396 /nfs/dbraw/zinc/93/73/96/534937396.db2.gz YFFNJAWBAVGWAG-UHFFFAOYSA-N 1 0 312.849 1.903 10 0 DDAERO CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](Cn3cncn3)C2)CC1 ZINC000175070129 535143449 /nfs/dbraw/zinc/14/34/49/535143449.db2.gz PPKRWLXDELFZSG-OAHLLOKOSA-N 1 0 319.453 1.637 10 0 DDAERO COCC[N@@H+]1CCN(Cn2cc(Br)cn2)C[C@@H]1C ZINC000117322192 696670554 /nfs/dbraw/zinc/67/05/54/696670554.db2.gz ZUDXIBCDCIUAFA-NSHDSACASA-N 1 0 317.231 1.256 10 0 DDAERO C[C@@H](NC(=O)C[C@@H]([NH3+])C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000123946332 696736557 /nfs/dbraw/zinc/73/65/57/696736557.db2.gz XMMODNVBFWETBF-QMTHXVAHSA-N 1 0 310.419 1.395 10 0 DDAERO [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000124497726 696743505 /nfs/dbraw/zinc/74/35/05/696743505.db2.gz 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Cc1cccc(F)c1NC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000249178877 282136682 /nfs/dbraw/zinc/13/66/82/282136682.db2.gz MSLYRGZHIQTNTN-CHWSQXEVSA-N 1 0 319.380 1.768 10 0 DDAERO C[N@H+](CCNC(=O)c1ccc(N)c(Br)c1)C1CC1 ZINC000078894651 185124234 /nfs/dbraw/zinc/12/42/34/185124234.db2.gz VGDDMOBKPFAODS-UHFFFAOYSA-N 1 0 312.211 1.855 10 0 DDAERO Cc1cccc2nc(C[N@H+](C)C[C@H]3CCC[C@H]3O)cc(=O)n12 ZINC000305369864 231003973 /nfs/dbraw/zinc/00/39/73/231003973.db2.gz XBGSUDAUESECQB-UKRRQHHQSA-N 1 0 301.390 1.596 10 0 DDAERO C[C@@H](CC[NH3+])CCC(=O)Nc1ccccc1NS(C)(=O)=O ZINC000079117749 185159418 /nfs/dbraw/zinc/15/94/18/185159418.db2.gz PPLQINKFWGQAPM-LLVKDONJSA-N 1 0 313.423 1.762 10 0 DDAERO CC(C)(C)[C@@H](CC[NH3+])CCC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000079291498 185163554 /nfs/dbraw/zinc/16/35/54/185163554.db2.gz YOCYSBSOJUITDJ-QWHCGFSZSA-N 1 0 318.483 1.329 10 0 DDAERO CC(C)(C)[C@@H]1CCCN(S(=O)(=O)N2CCC[NH2+]CC2)CC1 ZINC000079348535 185165766 /nfs/dbraw/zinc/16/57/66/185165766.db2.gz 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/nfs/dbraw/zinc/22/94/91/185229491.db2.gz MEBHAWFSOCAEFW-POYBYMJQSA-N 1 0 310.238 1.945 10 0 DDAERO C[C@H]([NH3+])CCC[C@H](C)C(=O)NCCCOC[C@@H]1CCCO1 ZINC000087699079 185230669 /nfs/dbraw/zinc/23/06/69/185230669.db2.gz CADZSCLVPXWZBV-KKUMJFAQSA-N 1 0 300.443 1.842 10 0 DDAERO CC[NH2+][C@@H](c1ccccc1)[C@H](CC)S(=O)(=O)CC(=O)OC ZINC000081975533 192347557 /nfs/dbraw/zinc/34/75/57/192347557.db2.gz GGLMZGXXVHUMOF-ZFWWWQNUSA-N 1 0 313.419 1.704 10 0 DDAERO CC[NH2+][C@H]1c2ccccc2C[C@@H]1S(=O)(=O)CCC(=O)OC ZINC000081975390 192347832 /nfs/dbraw/zinc/34/78/32/192347832.db2.gz GNISECVODCNOTB-ZFWWWQNUSA-N 1 0 311.403 1.240 10 0 DDAERO NNc1nc(NC[C@H]2CCC[C@@H]2CO)c(Br)c[nH+]1 ZINC000087890094 185234846 /nfs/dbraw/zinc/23/48/46/185234846.db2.gz KUHANFOAMBKAFF-HTQZYQBOSA-N 1 0 316.203 1.345 10 0 DDAERO COc1ccc([C@H](C[NH3+])NCCCO)cc1Br ZINC000087929763 185237755 /nfs/dbraw/zinc/23/77/55/185237755.db2.gz HEDKHSHLICEJEP-NSHDSACASA-N 1 0 303.200 1.430 10 0 DDAERO CCc1nn(C)c(C[S@](=O)C[C@@H](C)[NH3+])c1Br ZINC000088069237 185238646 /nfs/dbraw/zinc/23/86/46/185238646.db2.gz VVAMANNKQCHRCO-QZTNRIJFSA-N 1 0 308.245 1.341 10 0 DDAERO [NH3+][C@H](Cc1c[nH]cn1)c1nnc2ccc(Br)cn21 ZINC000087847039 185233377 /nfs/dbraw/zinc/23/33/77/185233377.db2.gz SGXCZTDEXSBNHI-SECBINFHSA-N 1 0 307.155 1.457 10 0 DDAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)[C@@H]1COc2ccccc2O1 ZINC000087859466 185233981 /nfs/dbraw/zinc/23/39/81/185233981.db2.gz XHDJRAKJXIJEQF-DOMZBBRYSA-N 1 0 313.419 1.629 10 0 DDAERO CCO[C@H](C[NH3+])C[S@@](=O)c1ccccc1Br ZINC000088144671 185240647 /nfs/dbraw/zinc/24/06/47/185240647.db2.gz WAGQRZAOGOMBFK-ABKXIKBNSA-N 1 0 306.225 1.921 10 0 DDAERO O=C1CCCN1C[C@@H](O)C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000179987261 539235026 /nfs/dbraw/zinc/23/50/26/539235026.db2.gz LLLBMHHQUBHVKU-ZDUSSCGKSA-N 1 0 324.371 1.917 10 0 DDAERO C[C@H]([NH2+]CC(=O)NC1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000181746838 539238532 /nfs/dbraw/zinc/23/85/32/539238532.db2.gz GFBIORSZBSTDBJ-LBPRGKRZSA-N 1 0 320.389 1.404 10 0 DDAERO CCOc1ccccc1NC(=O)C[NH2+][C@@H](C(=O)NC)C(C)C ZINC000183670486 539243121 /nfs/dbraw/zinc/24/31/21/539243121.db2.gz SEGLXCAJLQPLHN-OAHLLOKOSA-N 1 0 307.394 1.384 10 0 DDAERO COC(=O)CS(=O)(=O)C[C@H]([NH3+])c1cccc2ccccc21 ZINC000081976319 192348522 /nfs/dbraw/zinc/34/85/22/192348522.db2.gz YATMHHKIHZKEPL-AWEZNQCLSA-N 1 0 307.371 1.427 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)N1CCSc2ccccc21)C(C)C ZINC000183647981 539242561 /nfs/dbraw/zinc/24/25/61/539242561.db2.gz NNVSFHZFOYHVCR-OAHLLOKOSA-N 1 0 321.446 1.486 10 0 DDAERO CNC(=O)[C@H]([NH2+]C[C@H](O)COc1cccc2[nH]ccc21)C(C)C ZINC000183687250 539242914 /nfs/dbraw/zinc/24/29/14/539242914.db2.gz IFDSMKSUVKVJIS-BLLLJJGKSA-N 1 0 319.405 1.268 10 0 DDAERO CC[C@@H](C[NH3+])S(=O)(=O)N1CCN(c2ccccc2F)CC1 ZINC000088472888 185252146 /nfs/dbraw/zinc/25/21/46/185252146.db2.gz GMKHAJTYQXOYGE-LBPRGKRZSA-N 1 0 315.414 1.015 10 0 DDAERO CC[C@@H](C(N)=S)S(=O)(=O)N[C@H](C)CCC[NH+](CC)CC ZINC000088487083 185253440 /nfs/dbraw/zinc/25/34/40/185253440.db2.gz JZOIMNHTJVBRFW-NEPJUHHUSA-N 1 0 323.528 1.481 10 0 DDAERO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@H]1CCCO1 ZINC000088493021 185254145 /nfs/dbraw/zinc/25/41/45/185254145.db2.gz ZYNRURYUJSXNJY-UKRRQHHQSA-N 1 0 309.410 1.920 10 0 DDAERO CC[NH+](CC)CCCNCc1ccc(S(=O)(=O)NC)o1 ZINC000088539811 185255263 /nfs/dbraw/zinc/25/52/63/185255263.db2.gz MFDKKNNUXBYGEL-UHFFFAOYSA-N 1 0 303.428 1.009 10 0 DDAERO CN(C)S(=O)(=O)c1ccc(CNCC(C)(C)C[NH+](C)C)o1 ZINC000088539752 185255428 /nfs/dbraw/zinc/25/54/28/185255428.db2.gz MFTAYYTWQFXLQN-UHFFFAOYSA-N 1 0 317.455 1.207 10 0 DDAERO CC[NH2+][C@H]1CCOC[C@H]1S(=O)(=O)c1cccc(Cl)c1 ZINC000081982042 192348721 /nfs/dbraw/zinc/34/87/21/192348721.db2.gz OFEJXZVHCFIQKP-QWHCGFSZSA-N 1 0 303.811 1.881 10 0 DDAERO COCCCS(=O)(=O)Cc1cc([C@@H](C)[NH3+])ccc1OC ZINC000081985247 192349069 /nfs/dbraw/zinc/34/90/69/192349069.db2.gz UOKJWHABXNDTLT-LLVKDONJSA-N 1 0 301.408 1.666 10 0 DDAERO CCc1nc(CC)n(-c2nc3sccn3c2C[C@H](C)[NH3+])n1 ZINC000088746247 185263594 /nfs/dbraw/zinc/26/35/94/185263594.db2.gz QQCHKPPALLPLPM-VIFPVBQESA-N 1 0 304.423 1.991 10 0 DDAERO Brc1cnc2c(c1)nccc2NC[C@@H]1COCC[NH2+]1 ZINC000232456541 539267111 /nfs/dbraw/zinc/26/71/11/539267111.db2.gz RGHZGMHWBXPOFC-SNVBAGLBSA-N 1 0 323.194 1.793 10 0 DDAERO C[NH2+]C[C@@H](Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000088790138 185265767 /nfs/dbraw/zinc/26/57/67/185265767.db2.gz RAARUGNXPYNJEP-NWDGAFQWSA-N 1 0 302.827 1.548 10 0 DDAERO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@H]2CCCO2)cc1 ZINC000248561629 539272112 /nfs/dbraw/zinc/27/21/12/539272112.db2.gz CRNQOZDYNARXOA-SRCQZFHVSA-N 1 0 322.405 1.542 10 0 DDAERO CCN(c1ccc(S(=O)(=O)C(F)(F)F)cc1)C1C[NH2+]C1 ZINC000090292303 185289758 /nfs/dbraw/zinc/28/97/58/185289758.db2.gz GQNLZIACXIQFBG-UHFFFAOYSA-N 1 0 308.325 1.778 10 0 DDAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NC(=O)c1sccc1Br ZINC000090311423 185290395 /nfs/dbraw/zinc/29/03/95/185290395.db2.gz VVXKWPTXFXWYNC-YIZRAAEISA-N 1 0 319.224 1.745 10 0 DDAERO O=C(c1cc(Br)ccc1F)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090321361 185290939 /nfs/dbraw/zinc/29/09/39/185290939.db2.gz NVRUKEXFXGXGIU-RKDXNWHRSA-N 1 0 313.170 1.880 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1cc(F)cc(F)c1 ZINC000090331539 185291260 /nfs/dbraw/zinc/29/12/60/185291260.db2.gz XYEJGYHESGTTDT-OWYVNGRQSA-N 1 0 316.373 1.583 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1S(=O)(=O)CCc1ccccc1 ZINC000090336975 185291936 /nfs/dbraw/zinc/29/19/36/185291936.db2.gz KETWKPAGUDSIEM-LSDHHAIUSA-N 1 0 308.447 1.489 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1ccccc1Cl ZINC000090336917 185291978 /nfs/dbraw/zinc/29/19/78/185291978.db2.gz ZGDYXZIEKNXYOA-GHMZBOCLSA-N 1 0 314.838 1.959 10 0 DDAERO CC(C)([NH3+])CSCCOc1ccc(S(N)(=O)=O)cc1 ZINC000090358554 185292313 /nfs/dbraw/zinc/29/23/13/185292313.db2.gz HXUIPZLNFOSWIN-UHFFFAOYSA-N 1 0 304.437 1.183 10 0 DDAERO CC[NH2+][C@H]1COC[C@H]1C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000090489581 185298895 /nfs/dbraw/zinc/29/88/95/185298895.db2.gz HLPMVKDWMKJKFV-HCWSGVFWSA-N 1 0 308.344 1.848 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(C)c(Br)c1 ZINC000090437787 185296160 /nfs/dbraw/zinc/29/61/60/185296160.db2.gz UXCLAMGAICABET-ZYHUDNBSSA-N 1 0 313.195 1.930 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)NCc1ccc(Br)s1 ZINC000090435736 185296249 /nfs/dbraw/zinc/29/62/49/185296249.db2.gz RJQPPOOVZXQXIW-BDAKNGLRSA-N 1 0 319.224 1.361 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1cc2c(cc1Cl)NC(=O)C2 ZINC000090433183 185296293 /nfs/dbraw/zinc/29/62/93/185296293.db2.gz ZXJWJINRJNRYBU-PELKAZGASA-N 1 0 309.753 1.008 10 0 DDAERO C[C@@]1(C(=O)NCc2cccc(C(F)(F)F)c2)COC[C@@H]1[NH3+] ZINC000090580461 185304804 /nfs/dbraw/zinc/30/48/04/185304804.db2.gz FNAPHEZLISDPOI-WCQYABFASA-N 1 0 302.296 1.685 10 0 DDAERO COC(=O)[C@H]1c2ccsc2CCN1C(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000090683395 185309452 /nfs/dbraw/zinc/30/94/52/185309452.db2.gz PYCGPFVZWPNKIJ-BXUZGUMPSA-N 1 0 322.430 1.689 10 0 DDAERO C[NH2+]Cc1cc(S(=O)(=O)N[C@@H](C)c2c(C)noc2C)c[nH]1 ZINC000092344027 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CCn1cnc(S(=O)(=O)N2CC[C@H]([NH3+])c3ccccc32)c1 ZINC000092889746 185348148 /nfs/dbraw/zinc/34/81/48/185348148.db2.gz UYRCXDOUUBQVEG-LBPRGKRZSA-N 1 0 306.391 1.502 10 0 DDAERO CCn1cnc(S(=O)(=O)N2CCCC[C@H]2CC[NH2+]C)c1 ZINC000092910603 185348693 /nfs/dbraw/zinc/34/86/93/185348693.db2.gz IYGRGTJBMGFCAR-LBPRGKRZSA-N 1 0 300.428 1.056 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(C(=O)/C=C\c2cncc(C)c2)CC1 ZINC000255827512 282279893 /nfs/dbraw/zinc/27/98/93/282279893.db2.gz AVULRKDPWRBFHD-AWFCHZOYSA-N 1 0 303.406 1.318 10 0 DDAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1cccc(Br)c1 ZINC000261599012 282287603 /nfs/dbraw/zinc/28/76/03/282287603.db2.gz ZRNFHZJCKDMZCQ-QMMMGPOBSA-N 1 0 307.213 1.335 10 0 DDAERO C[C@H]([NH3+])Cc1cc2ccccc2nc1Sc1nnnn1C ZINC000111579817 185614160 /nfs/dbraw/zinc/61/41/60/185614160.db2.gz XZJLQJZWIGDIQC-VIFPVBQESA-N 1 0 300.391 1.799 10 0 DDAERO CC(C)C[NH2+]C[C@@H]1CCCN(CC(=O)NCC(F)(F)F)C1 ZINC000111700681 185627793 /nfs/dbraw/zinc/62/77/93/185627793.db2.gz YPLMCSUAGDWYKC-LBPRGKRZSA-N 1 0 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MAQDPNIPSFHOJI-CYBMUJFWSA-N 1 0 304.500 1.910 10 0 DDAERO CCC[C@@H]([NH3+])C(=O)N1CCN(c2ncnc3sccc32)CC1 ZINC000236932439 202078938 /nfs/dbraw/zinc/07/89/38/202078938.db2.gz IRWUYOOMPZAAQD-GFCCVEGCSA-N 1 0 319.434 1.467 10 0 DDAERO CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N1CC[NH2+]CC1 ZINC000236916727 202070159 /nfs/dbraw/zinc/07/01/59/202070159.db2.gz QKJNPVARINWHAJ-LBPRGKRZSA-N 1 0 301.394 1.756 10 0 DDAERO CC[C@H]1C[NH2+][C@H](c2ccccc2)CN1[C@@H]1CCS(=O)(=O)C1 ZINC000086181170 192552431 /nfs/dbraw/zinc/55/24/31/192552431.db2.gz IDRMOAYKRJIVOH-XHSDSOJGSA-N 1 0 308.447 1.599 10 0 DDAERO CC(C)[NH2+]Cc1csc(S(=O)(=O)N2CCSCC2)c1 ZINC000088931417 192661137 /nfs/dbraw/zinc/66/11/37/192661137.db2.gz XJSSHOUQVAZSEB-UHFFFAOYSA-N 1 0 320.505 1.984 10 0 DDAERO CCCN(C(C)C)S(=O)(=O)c1cnn(CC[NH2+]C(C)C)c1 ZINC000088945815 192664573 /nfs/dbraw/zinc/66/45/73/192664573.db2.gz OQMGPWBTFRSSQT-UHFFFAOYSA-N 1 0 316.471 1.690 10 0 DDAERO CCC[NH2+]CCCN(C)S(=O)(=O)N(CCOC)CC(C)C ZINC000089003457 192689988 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[NH3+]C[C@@H]1CCCN1S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000193296653 201023543 /nfs/dbraw/zinc/02/35/43/201023543.db2.gz VVMVRTOBYXRXML-NSHDSACASA-N 1 0 322.352 1.903 10 0 DDAERO CC1(CNS(=O)(=O)c2cc(F)c(F)cc2F)CC[NH2+]CC1 ZINC000193371888 201040351 /nfs/dbraw/zinc/04/03/51/201040351.db2.gz UDRPGDOAACAUTO-UHFFFAOYSA-N 1 0 322.352 1.772 10 0 DDAERO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000193455550 201054650 /nfs/dbraw/zinc/05/46/50/201054650.db2.gz RLHUXWIRSNISER-DOMZBBRYSA-N 1 0 320.418 1.291 10 0 DDAERO CC(=O)N[C@H](CC(=O)N[C@@H]1CCC[NH2+][C@@H]1C)c1ccc(C)cc1 ZINC000193584336 201079517 /nfs/dbraw/zinc/07/95/17/201079517.db2.gz HCSCZIALWQZQST-KBRIMQKVSA-N 1 0 317.433 1.819 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(C)n1 ZINC000194162363 201188908 /nfs/dbraw/zinc/18/89/08/201188908.db2.gz ZLFMOKSZJJCICI-ZIAGYGMSSA-N 1 0 316.405 1.414 10 0 DDAERO C[C@@H](CO)C[NH2+]C[C@H]1Cc2cc(Br)ccc2O1 ZINC000090905126 192943450 /nfs/dbraw/zinc/94/34/50/192943450.db2.gz 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183184827 /nfs/dbraw/zinc/18/48/27/183184827.db2.gz PKIRDRCDEKXMEV-MRXNPFEDSA-N 1 0 321.421 1.330 10 0 DDAERO CC[NH2+][C@H](C)c1ccc(NC(=O)NCCS(C)(=O)=O)cc1 ZINC000041707451 183218552 /nfs/dbraw/zinc/21/85/52/183218552.db2.gz FVJSBKZCOISLEO-LLVKDONJSA-N 1 0 313.423 1.523 10 0 DDAERO C[NH2+][C@H](C)c1cccc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000041710136 183218567 /nfs/dbraw/zinc/21/85/67/183218567.db2.gz HMRQBXXQWKUGBO-ZWNOBZJWSA-N 1 0 311.407 1.276 10 0 DDAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(C(N)=S)cc1F ZINC000042428946 183269525 /nfs/dbraw/zinc/26/95/25/183269525.db2.gz SMEVEDHUKIFCJH-JOYOIKCWSA-N 1 0 309.410 1.546 10 0 DDAERO CC(C)[N@H+](CCCOc1cccc(C(N)=S)c1)CC(N)=O ZINC000042429015 183269764 /nfs/dbraw/zinc/26/97/64/183269764.db2.gz ALHUUTQIYJNIII-UHFFFAOYSA-N 1 0 309.435 1.285 10 0 DDAERO CCC(CC)N(CCO)S(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000042526438 183280045 /nfs/dbraw/zinc/28/00/45/183280045.db2.gz ZYZRYLSLGKMDLL-CYBMUJFWSA-N 1 0 306.472 1.331 10 0 DDAERO CCNC(=O)CN(CC)c1nc2sccn2c1C[NH2+]CC ZINC000042370554 183260303 /nfs/dbraw/zinc/26/03/03/183260303.db2.gz NHKWDHBHABNPOX-UHFFFAOYSA-N 1 0 309.439 1.468 10 0 DDAERO COC(=O)CCCN(C)S(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000042718693 183301772 /nfs/dbraw/zinc/30/17/72/183301772.db2.gz NOFUPBUGGHLVHN-LLVKDONJSA-N 1 0 314.407 1.280 10 0 DDAERO COCCNC(=O)CN(C)[C@H](c1ccccc1Cl)[C@@H](C)[NH3+] ZINC000043052465 183333098 /nfs/dbraw/zinc/33/30/98/183333098.db2.gz NTFCQYDRHGLSHQ-ABAIWWIYSA-N 1 0 313.829 1.423 10 0 DDAERO CC[C@@H]([NH3+])[C@@H](c1cccc(F)c1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000042972093 183324409 /nfs/dbraw/zinc/32/44/09/183324409.db2.gz OIZBYZBIBXQZPN-RBSFLKMASA-N 1 0 314.426 1.723 10 0 DDAERO CCN([C@H](C)COC)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000042768468 183307236 /nfs/dbraw/zinc/30/72/36/183307236.db2.gz HACJZRHIAOFTIW-GFCCVEGCSA-N 1 0 300.424 1.332 10 0 DDAERO COC(=O)[C@H](C)Oc1ccc(Br)cc1CC[NH3+] ZINC000043630756 183375906 /nfs/dbraw/zinc/37/59/06/183375906.db2.gz MFIRJLZKXRLXJM-QMMMGPOBSA-N 1 0 302.168 1.891 10 0 DDAERO Nc1c(I)cnn1[C@@H]1C[NH+]2CCC1CC2 ZINC000043667046 183377574 /nfs/dbraw/zinc/37/75/74/183377574.db2.gz NMAKHGMXYNUFOW-SECBINFHSA-N 1 0 318.162 1.337 10 0 DDAERO Cc1cc(CN2CCC[C@](O)(c3cn(C(C)C)nn3)C2)no1 ZINC000284610424 218099348 /nfs/dbraw/zinc/09/93/48/218099348.db2.gz LQYYEVAUSHJZDY-OAHLLOKOSA-N 1 0 305.382 1.639 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2noc(C(C)(C)C)n2)C[C@@H]1C ZINC000105835385 194141124 /nfs/dbraw/zinc/14/11/24/194141124.db2.gz PCWXARDDBMFVRO-ZDUSSCGKSA-N 1 0 310.442 1.910 10 0 DDAERO CC[C@@H]1CN(CC(=O)Nc2cccc(C)c2)CC[N@@H+]1CCOC ZINC000105835987 194143376 /nfs/dbraw/zinc/14/33/76/194143376.db2.gz XQFRJPMPFQTRCA-QGZVFWFLSA-N 1 0 319.449 1.976 10 0 DDAERO CC[C@H]1CN(Cc2cc(C(=O)OC)co2)CC[N@@H+]1CCOC ZINC000105837402 194144215 /nfs/dbraw/zinc/14/42/15/194144215.db2.gz RXFAKLRZJAYDBH-AWEZNQCLSA-N 1 0 310.394 1.609 10 0 DDAERO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105926282 194171614 /nfs/dbraw/zinc/17/16/14/194171614.db2.gz YXMNJKUHHQAAGX-ZMSDIMECSA-N 1 0 319.449 1.515 10 0 DDAERO C[NH+](C)C[C@@H]1CN(CCCOc2ccc3c(c2)OCO3)CCO1 ZINC000105924464 194170780 /nfs/dbraw/zinc/17/07/80/194170780.db2.gz VKROIBILTMAIOF-OAHLLOKOSA-N 1 0 322.405 1.447 10 0 DDAERO NC(=S)C[NH+]1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000109442657 194263865 /nfs/dbraw/zinc/26/38/65/194263865.db2.gz OEDSQILOPHOZKW-UHFFFAOYSA-N 1 0 300.431 1.639 10 0 DDAERO CC(C)(C(N)=S)[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000109466655 194266502 /nfs/dbraw/zinc/26/65/02/194266502.db2.gz WGOYXLGOOLBQLO-UHFFFAOYSA-N 1 0 312.483 1.711 10 0 DDAERO NS(=O)(=O)c1ccccc1NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050948663 183808942 /nfs/dbraw/zinc/80/89/42/183808942.db2.gz UYIBFGDIEGJBHH-NSHDSACASA-N 1 0 311.407 1.195 10 0 DDAERO COc1cc(C)c(S(=O)(=O)NCC[NH2+]C(C)C)cc1OC ZINC000054266851 183932607 /nfs/dbraw/zinc/93/26/07/183932607.db2.gz DESPMPMAHYUXAO-UHFFFAOYSA-N 1 0 316.423 1.289 10 0 DDAERO CN(CC(=O)N1CCSc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000110930669 194371455 /nfs/dbraw/zinc/37/14/55/194371455.db2.gz TVXOSOQALXWYGE-CYBMUJFWSA-N 1 0 305.447 1.809 10 0 DDAERO CC[NH2+][C@@H](C)c1ccc(C)cc1O[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000110960764 194374690 /nfs/dbraw/zinc/37/46/90/194374690.db2.gz IWANOMPNWNQNHQ-WHOFXGATSA-N 1 0 313.419 1.202 10 0 DDAERO CCOC(=O)[C@](C)(C[N@H+](C)CC1CCOCC1)NC(C)C ZINC000111170573 194398633 /nfs/dbraw/zinc/39/86/33/194398633.db2.gz RXMXBKZJHZCZGP-INIZCTEOSA-N 1 0 300.443 1.665 10 0 DDAERO Cc1cc2n(n1)C[C@H](C[NH2+]C[C@H](O)c1ccc(C)cc1)CN2 ZINC000058294382 184101894 /nfs/dbraw/zinc/10/18/94/184101894.db2.gz DKSIHSBHHRFLSN-ZBFHGGJFSA-N 1 0 300.406 1.865 10 0 DDAERO CC[NH2+][C@@H](C)CC(=O)Nc1cc(S(=O)(=O)NC)ccc1C ZINC000061270052 184167225 /nfs/dbraw/zinc/16/72/25/184167225.db2.gz YFBAFUAJJHIXNU-NSHDSACASA-N 1 0 313.423 1.230 10 0 DDAERO COCCN(C)CC[NH2+]CC(=O)Nc1c(F)cccc1F ZINC000061378741 184169533 /nfs/dbraw/zinc/16/95/33/184169533.db2.gz QRUVDAKXIOJVDN-UHFFFAOYSA-N 1 0 301.337 1.071 10 0 DDAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C1CC1)c1cnn(C)c1 ZINC000061594544 184176187 /nfs/dbraw/zinc/17/61/87/184176187.db2.gz POEAVIOYJZEOHV-WDEREUQCSA-N 1 0 308.411 1.211 10 0 DDAERO CCCn1c(S[C@@H](c2cnn(C)c2)[C@H]([NH3+])CC)n[nH]c1=O ZINC000061594807 184176721 /nfs/dbraw/zinc/17/67/21/184176721.db2.gz MPFMLWJNSPTPKF-MNOVXSKESA-N 1 0 310.427 1.286 10 0 DDAERO CC(=O)N1CCN(C2(c3ccccc3)CC[NH+](C)CC2)CC1 ZINC000062554774 184242241 /nfs/dbraw/zinc/24/22/41/184242241.db2.gz XGUXYQKAQCJKCG-UHFFFAOYSA-N 1 0 301.434 1.772 10 0 DDAERO CC[NH2+]C[C@H](Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000062337378 184230969 /nfs/dbraw/zinc/23/09/69/184230969.db2.gz AGPZEYSBUPJOLE-RYUDHWBXSA-N 1 0 302.465 1.654 10 0 DDAERO CC[NH+](CC)[C@@H](CNS(=O)(=O)NC(C)C)c1cccs1 ZINC000062359604 184232703 /nfs/dbraw/zinc/23/27/03/184232703.db2.gz ZZOJWVRKCVXRTB-LBPRGKRZSA-N 1 0 319.496 1.963 10 0 DDAERO CCNC(=O)[C@@H](C)Oc1ccc(C[NH2+]CCOC)cc1Cl ZINC000062730486 184251226 /nfs/dbraw/zinc/25/12/26/184251226.db2.gz RFMPVYRNWRYXEC-LLVKDONJSA-N 1 0 314.813 1.979 10 0 DDAERO COCC[NH2+]Cc1ccc(O[C@@H](C)C(=O)N(C)C)c(Cl)c1 ZINC000062730482 184251327 /nfs/dbraw/zinc/25/13/27/184251327.db2.gz QFGYOHAPGPUBNA-NSHDSACASA-N 1 0 314.813 1.932 10 0 DDAERO C[C@H]1CN[C@H](C(=O)NCc2ccccc2C(F)(F)F)C[NH2+]1 ZINC000062815659 184254084 /nfs/dbraw/zinc/25/40/84/184254084.db2.gz AJPHKJLXFDEGFI-CABZTGNLSA-N 1 0 301.312 1.272 10 0 DDAERO CCS(=O)(=O)c1ccc(NC(=O)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000062855103 184256488 /nfs/dbraw/zinc/25/64/88/184256488.db2.gz QLHAWFQKPVTHGV-HNNXBMFYSA-N 1 0 310.419 1.808 10 0 DDAERO C[C@@]1(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC[NH2+]C1 ZINC000062892159 184258416 /nfs/dbraw/zinc/25/84/16/184258416.db2.gz SJNVAMQIIFPMDO-CYBMUJFWSA-N 1 0 318.345 1.621 10 0 DDAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)N1CCCc2ccccc2C1 ZINC000062946221 184262177 /nfs/dbraw/zinc/26/21/77/184262177.db2.gz FQCBHSFWMGSORI-INIZCTEOSA-N 1 0 308.447 1.907 10 0 DDAERO [NH3+]C[C@@]1(N(Cc2cccs2)C2CC2)CCS(=O)(=O)C1 ZINC000062962612 184262738 /nfs/dbraw/zinc/26/27/38/184262738.db2.gz DPVHENAZLWSKGF-ZDUSSCGKSA-N 1 0 300.449 1.229 10 0 DDAERO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc(O)c(N)c2)C1 ZINC000062975645 184263906 /nfs/dbraw/zinc/26/39/06/184263906.db2.gz NHGFZNAXRNKKHU-LLVKDONJSA-N 1 0 313.423 1.079 10 0 DDAERO Cc1cc(N)ccc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062975745 184264074 /nfs/dbraw/zinc/26/40/74/184264074.db2.gz TYBKICWZGKDCFM-AWEZNQCLSA-N 1 0 309.435 1.436 10 0 DDAERO [NH3+]C[C@@H](c1ccccc1Cl)N1CC[C@H](N2CCOCC2)C1 ZINC000062977952 184264083 /nfs/dbraw/zinc/26/40/83/184264083.db2.gz SBYDCJMUHCOJMD-BBRMVZONSA-N 1 0 309.841 1.746 10 0 DDAERO O=S1(=O)CCC(NC2=[NH+][C@@H](c3ccccc3)CS2)CC1 ZINC000063002030 184265578 /nfs/dbraw/zinc/26/55/78/184265578.db2.gz ZDTMTPGOVAUWJC-CYBMUJFWSA-N 1 0 310.444 1.997 10 0 DDAERO CS(=O)(=O)c1ccc(Sc2ncccc2C(N)=[NH2+])cc1 ZINC000063131356 184272194 /nfs/dbraw/zinc/27/21/94/184272194.db2.gz GGUZDHACTVKYHX-UHFFFAOYSA-N 1 0 307.400 1.920 10 0 DDAERO CCC[NH2+][C@@H](CSc1ccc(S(C)(=O)=O)cc1)C(N)=O ZINC000063131885 184272307 /nfs/dbraw/zinc/27/23/07/184272307.db2.gz ZDNXXIQUNKBNPM-LBPRGKRZSA-N 1 0 316.448 1.036 10 0 DDAERO CCCN(C1(C[NH3+])CCCC1)S(=O)(=O)C[C@@H]1CCCO1 ZINC000063154994 184274288 /nfs/dbraw/zinc/27/42/88/184274288.db2.gz FPBVIFCTYBHCGL-ZDUSSCGKSA-N 1 0 304.456 1.479 10 0 DDAERO CCOCCS(=O)(=O)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000063154273 184274330 /nfs/dbraw/zinc/27/43/30/184274330.db2.gz YSHXEPHEHDSCIX-CYBMUJFWSA-N 1 0 304.456 1.397 10 0 DDAERO CCC[NH2+]CC(=O)Nc1ccc(C(=O)NCCCOC)cc1 ZINC000066216722 184397367 /nfs/dbraw/zinc/39/73/67/184397367.db2.gz LKJOLWXQJGCYMT-UHFFFAOYSA-N 1 0 307.394 1.391 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)c2cc3c(cccc3F)[nH]2)CCO1 ZINC000116793649 194771348 /nfs/dbraw/zinc/77/13/48/194771348.db2.gz WSLRHHUCPMACNV-NSHDSACASA-N 1 0 305.353 1.710 10 0 DDAERO COc1ccncc1NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000119609054 195001261 /nfs/dbraw/zinc/00/12/61/195001261.db2.gz ZOLAPFFEQPKQBT-LBPRGKRZSA-N 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C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)CC1CCCCC1 ZINC000113222596 407479160 /nfs/dbraw/zinc/47/91/60/407479160.db2.gz SFTXVSNJNMNGTO-GOEBONIOSA-N 1 0 321.465 1.768 10 0 DDAERO CN1CCO[C@@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000170708271 407479752 /nfs/dbraw/zinc/47/97/52/407479752.db2.gz MSGWMTOPAGURQZ-HNNXBMFYSA-N 1 0 306.410 1.200 10 0 DDAERO Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(F)c1 ZINC000113305680 407493225 /nfs/dbraw/zinc/49/32/25/407493225.db2.gz CBUVSWWUHJSOFJ-STQMWFEESA-N 1 0 312.410 1.991 10 0 DDAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CC(=O)NC(C1CC1)C1CC1 ZINC000178753424 407582999 /nfs/dbraw/zinc/58/29/99/407582999.db2.gz NUFJOJXBIQCEPB-MRXNPFEDSA-N 1 0 316.449 1.961 10 0 DDAERO C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178635972 407518892 /nfs/dbraw/zinc/51/88/92/407518892.db2.gz NZFOMANXPDQBDC-DGCLKSJQSA-N 1 0 308.813 1.842 10 0 DDAERO C[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)N1CCc2ccccc21 ZINC000170831098 407520387 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C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)C1 ZINC000170873647 407540685 /nfs/dbraw/zinc/54/06/85/407540685.db2.gz BHAIEVBALRHSBE-LBPRGKRZSA-N 1 0 322.386 1.118 10 0 DDAERO CC1(C)CCC[N@@H+]1C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000170872837 407541104 /nfs/dbraw/zinc/54/11/04/407541104.db2.gz OCWMPDOMQRYGPE-LBPRGKRZSA-N 1 0 302.374 1.518 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)c2csc(-c3cnccn3)n2)C1 ZINC000170877220 407541378 /nfs/dbraw/zinc/54/13/78/407541378.db2.gz KIVJPRUNNFDRDR-NSHDSACASA-N 1 0 317.418 1.814 10 0 DDAERO C[C@H]1C[C@H](C[NH3+])CN1c1ncnc2c1cnn2-c1ccccc1 ZINC000261818964 407625695 /nfs/dbraw/zinc/62/56/95/407625695.db2.gz HDTAIDMHPQEQET-QWHCGFSZSA-N 1 0 308.389 1.989 10 0 DDAERO [NH3+][C@H]1CC[C@@H](C(=O)NCc2nccn2CCc2ccccc2)C1 ZINC000178853257 407627799 /nfs/dbraw/zinc/62/77/99/407627799.db2.gz VMRCJCHVDFQTNF-CVEARBPZSA-N 1 0 312.417 1.869 10 0 DDAERO COCCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2CCCO2)CC1 ZINC000171197929 407628814 /nfs/dbraw/zinc/62/88/14/407628814.db2.gz YJFYONLQCNOLNH-ZFWWWQNUSA-N 1 0 313.442 1.354 10 0 DDAERO [NH3+]C1(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)CCOCC1 ZINC000261832966 407633001 /nfs/dbraw/zinc/63/30/01/407633001.db2.gz XVQQDPSZRMTWEG-UHFFFAOYSA-N 1 0 317.389 1.369 10 0 DDAERO CCO[C@H]1C[C@H]([NH2+]CC2CCN(C(C)=O)CC2)C12CCOCC2 ZINC000186324523 407639207 /nfs/dbraw/zinc/63/92/07/407639207.db2.gz LKIVTPQXIRXIDP-IRXDYDNUSA-N 1 0 324.465 1.809 10 0 DDAERO CC(=O)NC(C)(C)c1noc(-c2ccn([C@@H]3CCC[NH2+]C3)n2)n1 ZINC000261899104 407660543 /nfs/dbraw/zinc/66/05/43/407660543.db2.gz YJVQEDHJHLDHMN-LLVKDONJSA-N 1 0 318.381 1.229 10 0 DDAERO CC1CC[NH+](C[C@@H]2CCCN(Cc3noc(CN)n3)C2)CC1 ZINC000261847071 407641168 /nfs/dbraw/zinc/64/11/68/407641168.db2.gz UYNPZWWRMMLURC-AWEZNQCLSA-N 1 0 307.442 1.472 10 0 DDAERO CN(C(=O)[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000261731233 407594885 /nfs/dbraw/zinc/59/48/85/407594885.db2.gz KGBASNZXUJHVNV-CVEARBPZSA-N 1 0 301.434 1.971 10 0 DDAERO CCc1nccn1[C@H]1CCCN(C(=O)C2([NH3+])CCOCC2)C1 ZINC000261929950 407677631 /nfs/dbraw/zinc/67/76/31/407677631.db2.gz WCCBAZHEKNQEKA-ZDUSSCGKSA-N 1 0 306.410 1.117 10 0 DDAERO c1ccc(COCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1 ZINC000261940999 407681126 /nfs/dbraw/zinc/68/11/26/407681126.db2.gz MUMRCVPWLOEZMA-KZNAEPCWSA-N 1 0 304.434 1.950 10 0 DDAERO CCS[C@@H]1CC[C@@H](N(C)C(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000261951776 407688633 /nfs/dbraw/zinc/68/86/33/407688633.db2.gz KDKZSFXYJSMUJU-MGPQQGTHSA-N 1 0 300.468 1.873 10 0 DDAERO COC(=O)COc1c(C)cc(CN2C[C@H]([NH3+])[C@@H](C)C2)cc1C ZINC000262023772 407715245 /nfs/dbraw/zinc/71/52/45/407715245.db2.gz NKSAPXACXXJDSN-ZFWWWQNUSA-N 1 0 306.406 1.634 10 0 DDAERO O=C(NC[C@@H]1CCCN(c2ccncc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000262044253 407723616 /nfs/dbraw/zinc/72/36/16/407723616.db2.gz CDLXKZAHMUNUNA-JSGCOSHPSA-N 1 0 322.840 1.820 10 0 DDAERO COc1c(C)cc(C)cc1S(=O)(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262120005 407745251 /nfs/dbraw/zinc/74/52/51/407745251.db2.gz VNVAGKFSARJXGR-MELADBBJSA-N 1 0 324.446 1.670 10 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WYJUUTBPQMMQIQ-DZGCQCFKSA-N 1 0 304.390 1.342 10 0 DDAERO Cc1cccc(CS(=O)(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000116900619 407794280 /nfs/dbraw/zinc/79/42/80/407794280.db2.gz FFJXTARQVSYAGN-OAHLLOKOSA-N 1 0 312.435 1.087 10 0 DDAERO Cc1cc(F)ccc1S(=O)(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116900957 407794406 /nfs/dbraw/zinc/79/44/06/407794406.db2.gz CBKCXZSBYSQJMV-ZDUSSCGKSA-N 1 0 316.398 1.085 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)Nc2cnn(CC)c2)C[C@@H]1CC ZINC000116927938 407798634 /nfs/dbraw/zinc/79/86/34/407798634.db2.gz KDKBQBXPWUSNKJ-HNNXBMFYSA-N 1 0 323.441 1.868 10 0 DDAERO CCN(CC)c1ccc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000116977847 407804217 /nfs/dbraw/zinc/80/42/17/407804217.db2.gz ANMHEQRACHGGPR-QGZVFWFLSA-N 1 0 319.449 1.935 10 0 DDAERO Cc1cccc(CCNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000117041659 407807730 /nfs/dbraw/zinc/80/77/30/407807730.db2.gz MICJYXOGHBQBJQ-INIZCTEOSA-N 1 0 305.422 1.510 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1cccn(Cc2ccc(C)cc2)c1=O ZINC000262363039 407812366 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C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cccc(C[S@](C)=O)c1 ZINC000262734398 407911634 /nfs/dbraw/zinc/91/16/34/407911634.db2.gz FIWIIBTYQAWYMB-QOKQMOMRSA-N 1 0 308.447 1.907 10 0 DDAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(Br)cn1C ZINC000262733349 407911763 /nfs/dbraw/zinc/91/17/63/407911763.db2.gz IGBMVSMFPCIQGM-WCBMZHEXSA-N 1 0 300.200 1.515 10 0 DDAERO CCC[C@@H](C(=O)N[C@H](C)C1CCN(C(=O)OC)CC1)[NH+](C)C ZINC000188454807 407947598 /nfs/dbraw/zinc/94/75/98/407947598.db2.gz QZGKPVMBPKKCNF-OCCSQVGLSA-N 1 0 313.442 1.700 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(Cc2nc3ccccc3n2C)CC1 ZINC000118859295 407957668 /nfs/dbraw/zinc/95/76/68/407957668.db2.gz RKKSPMPHPAZHEY-CQSZACIVSA-N 1 0 302.422 1.462 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN([C@H](C)C(=O)Nc2ccccc2)CC1 ZINC000118858594 407958136 /nfs/dbraw/zinc/95/81/36/407958136.db2.gz DSOSXRCSTOZYRH-GDBMZVCRSA-N 1 0 305.422 1.402 10 0 DDAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC(=O)N(C)c1ccccc1 ZINC000134973699 407958910 /nfs/dbraw/zinc/95/89/10/407958910.db2.gz 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CCC[C@H](CC[NH3+])CCC(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000079242604 185162208 /nfs/dbraw/zinc/16/22/08/185162208.db2.gz VYEWUODPNLYHTP-STQMWFEESA-N 1 0 304.456 1.225 10 0 DDAERO CCC[C@H](CC[NH3+])CCCN1CCN(S(C)(=O)=O)CC1 ZINC000079244842 185162209 /nfs/dbraw/zinc/16/22/09/185162209.db2.gz QDVBCVDNKXCOSV-AWEZNQCLSA-N 1 0 305.488 1.109 10 0 DDAERO CC(C)(C)[C@@H]1CCCN(CC[NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000079415323 185170404 /nfs/dbraw/zinc/17/04/04/185170404.db2.gz JUTSWEWCOMBHPE-HUUCEWRRSA-N 1 0 316.511 1.911 10 0 DDAERO Cn1cncc1C[NH2+]C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328634377 231271659 /nfs/dbraw/zinc/27/16/59/231271659.db2.gz MSJKVVOGACZCGM-SNVBAGLBSA-N 1 0 313.327 1.988 10 0 DDAERO C[C@@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)[C@H]1CCCO1 ZINC000083177827 185216091 /nfs/dbraw/zinc/21/60/91/185216091.db2.gz LQBMYXRFLMEVRE-UKRRQHHQSA-N 1 0 311.426 1.060 10 0 DDAERO COc1ccc(S(=O)(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cn1 ZINC000249628855 282187577 /nfs/dbraw/zinc/18/75/77/282187577.db2.gz URXCBDJXAAOXOY-WCQYABFASA-N 1 0 313.423 1.097 10 0 DDAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1ccccc1Br ZINC000087403975 185223733 /nfs/dbraw/zinc/22/37/33/185223733.db2.gz VTBBXJOGHCMHQC-VIFPVBQESA-N 1 0 321.240 1.855 10 0 DDAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1cccc(Br)c1 ZINC000087403983 185223937 /nfs/dbraw/zinc/22/39/37/185223937.db2.gz TWBXBQWIXBSTLF-JTQLQIEISA-N 1 0 321.240 1.855 10 0 DDAERO CCC[NH2+][C@](C)(CC(=O)OC)c1ccc(S(C)(=O)=O)cc1 ZINC000087552056 185227902 /nfs/dbraw/zinc/22/79/02/185227902.db2.gz FBBDEHJUUGXVQN-OAHLLOKOSA-N 1 0 313.419 1.868 10 0 DDAERO Cc1nnc(S[C@@H]2CS(=O)(=O)c3ccccc32)n1CC[NH3+] ZINC000087711325 185230999 /nfs/dbraw/zinc/23/09/99/185230999.db2.gz JZEXUKHETRZGST-LLVKDONJSA-N 1 0 324.431 1.166 10 0 DDAERO CCOC(=O)CS(=O)(=O)C[C@@H]([NH2+]C)c1ccc(C)cc1C ZINC000081977142 192347727 /nfs/dbraw/zinc/34/77/27/192347727.db2.gz MFBHPJZTVDGYIE-CQSZACIVSA-N 1 0 313.419 1.542 10 0 DDAERO CC[NH2+][C@@H](CS(=O)(=O)CC(=O)OC)c1ccc(C)cc1C ZINC000081976401 192347772 /nfs/dbraw/zinc/34/77/72/192347772.db2.gz GWYDCNCCLVPAGN-AWEZNQCLSA-N 1 0 313.419 1.542 10 0 DDAERO CCc1nc(-n2nc(C)c(Br)c2C)cc(NN)[nH+]1 ZINC000087907315 185237223 /nfs/dbraw/zinc/23/72/23/185237223.db2.gz TUBUJRDDJYPZAF-UHFFFAOYSA-N 1 0 311.187 1.890 10 0 DDAERO COCCC[C@H]([NH3+])C(=O)Nc1ncc(Br)s1 ZINC000088003133 185238054 /nfs/dbraw/zinc/23/80/54/185238054.db2.gz VHXLSKLNLURVNQ-LURJTMIESA-N 1 0 308.201 1.598 10 0 DDAERO O=S(=O)(Nc1cccc(OC(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000088056249 185238317 /nfs/dbraw/zinc/23/83/17/185238317.db2.gz QUZSREYTABOKGD-SNVBAGLBSA-N 1 0 310.297 1.689 10 0 DDAERO CCc1nn(C)c(C[S@@](=O)C[C@H](C)[NH3+])c1Br ZINC000088069238 185238701 /nfs/dbraw/zinc/23/87/01/185238701.db2.gz VVAMANNKQCHRCO-HYORBCNSSA-N 1 0 308.245 1.341 10 0 DDAERO CC[NH+](CC)C1CCN(S(=O)(=O)c2cccnc2N)CC1 ZINC000088070938 185238832 /nfs/dbraw/zinc/23/88/32/185238832.db2.gz MWJRKZZUWHTDAW-UHFFFAOYSA-N 1 0 312.439 1.159 10 0 DDAERO COc1ccc(CN2CC[NH+](C3CC3)CC2)cc1C(N)=S ZINC000087832525 185232467 /nfs/dbraw/zinc/23/24/67/185232467.db2.gz KUBSVFFFNOONIT-UHFFFAOYSA-N 1 0 305.447 1.609 10 0 DDAERO Nc1ccc(Br)cc1N1CC[NH+](CCO)CC1 ZINC000087834863 185232956 /nfs/dbraw/zinc/23/29/56/185232956.db2.gz OQGZBPLLQBMTFB-UHFFFAOYSA-N 1 0 300.200 1.146 10 0 DDAERO COC1CCN(c2nc(NN)[nH+]cc2Br)CC1 ZINC000087853101 185233644 /nfs/dbraw/zinc/23/36/44/185233644.db2.gz JMMMNHBXSBVADJ-UHFFFAOYSA-N 1 0 302.176 1.140 10 0 DDAERO C[C@@H]1CN(c2nc(NN)[nH+]cc2Br)CCCO1 ZINC000087870188 185234257 /nfs/dbraw/zinc/23/42/57/185234257.db2.gz LXXSOOPOHOYUSR-SSDOTTSWSA-N 1 0 302.176 1.140 10 0 DDAERO C[NH2+][C@H](CS(=O)(=O)CCC(=O)OC)c1ccc(C)cc1C ZINC000081974548 192348240 /nfs/dbraw/zinc/34/82/40/192348240.db2.gz QDCQIQZMEVPDIK-CQSZACIVSA-N 1 0 313.419 1.542 10 0 DDAERO CC(C)C[C@@H](C[NH3+])CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000088275784 185244597 /nfs/dbraw/zinc/24/45/97/185244597.db2.gz ZSWHCQLAAAEPEN-LLVKDONJSA-N 1 0 313.423 1.284 10 0 DDAERO [NH3+]C[C@@]1(N2CCCCc3ccccc32)CCCS(=O)(=O)C1 ZINC000088332939 185246317 /nfs/dbraw/zinc/24/63/17/185246317.db2.gz ZUJHMGUNZYDNGP-INIZCTEOSA-N 1 0 308.447 1.735 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)C(C)C ZINC000183681249 539242975 /nfs/dbraw/zinc/24/29/75/539242975.db2.gz RTRHYSDSFXJRQG-OAHLLOKOSA-N 1 0 321.425 1.297 10 0 DDAERO [NH3+][C@H](Cc1ccccc1)[C@H](O)CN(CC(F)(F)F)C1CC1 ZINC000088397551 185248583 /nfs/dbraw/zinc/24/85/83/185248583.db2.gz DNZPUMDHAJWXHC-ZIAGYGMSSA-N 1 0 302.340 1.944 10 0 DDAERO CC[C@H](C(N)=S)S(=O)(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000088487039 185253416 /nfs/dbraw/zinc/25/34/16/185253416.db2.gz MTTYHTLAOZOAFI-NWDGAFQWSA-N 1 0 321.512 1.235 10 0 DDAERO CNS(=O)(=O)c1ccc(CNC[C@@H](CC(C)C)[NH+](C)C)o1 ZINC000088540009 185255752 /nfs/dbraw/zinc/25/57/52/185255752.db2.gz QYOMKOOQBZHMDZ-GFCCVEGCSA-N 1 0 317.455 1.254 10 0 DDAERO CC[C@@H](COC)NS(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000088551307 185257697 /nfs/dbraw/zinc/25/76/97/185257697.db2.gz ITFYZCSRKOSTOK-NSHDSACASA-N 1 0 318.439 1.871 10 0 DDAERO 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ZINC000090328237 185291361 /nfs/dbraw/zinc/29/13/61/185291361.db2.gz DJPNMADVXPSZIX-BREBYQMCSA-N 1 0 316.373 1.727 10 0 DDAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)N1CCCCCC1 ZINC000090331765 185291725 /nfs/dbraw/zinc/29/17/25/185291725.db2.gz DMGQYFXDDNGPFM-HZSPNIEDSA-N 1 0 301.456 1.037 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)NCc1ccc(Br)cc1 ZINC000090431957 185295767 /nfs/dbraw/zinc/29/57/67/185295767.db2.gz PBIIPDHTHOGLRC-NEPJUHHUSA-N 1 0 313.195 1.300 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cc(Br)ccc1F ZINC000090432430 185295771 /nfs/dbraw/zinc/29/57/71/185295771.db2.gz ZWFWKSRVNDMAQE-GZMMTYOYSA-N 1 0 317.158 1.761 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(NC(C)=O)c(Cl)c1 ZINC000090433157 185296357 /nfs/dbraw/zinc/29/63/57/185296357.db2.gz WLRDCTKBITVYEH-GWCFXTLKSA-N 1 0 311.769 1.471 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1c2nsnc2ccc1Cl ZINC000090438385 185296704 /nfs/dbraw/zinc/29/67/04/185296704.db2.gz ZWMZJIXUXWPTNT-IMTBSYHQSA-N 1 0 312.782 1.518 10 0 DDAERO COC(=O)c1ccc(Cl)c(NC(=O)[C@@]2(C)COC[C@H]2[NH3+])c1 ZINC000090587419 185305136 /nfs/dbraw/zinc/30/51/36/185305136.db2.gz IZZRSAWNRNLZFW-RISCZKNCSA-N 1 0 312.753 1.429 10 0 DDAERO Cc1cccc(Cl)c1NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000090537649 185301549 /nfs/dbraw/zinc/30/15/49/185301549.db2.gz VIBCXQBBHODJEG-JTQLQIEISA-N 1 0 304.799 1.349 10 0 DDAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N1CCC(C(F)(F)F)CC1 ZINC000090546501 185302220 /nfs/dbraw/zinc/30/22/20/185302220.db2.gz BQVXONRJXAVFAR-VXGBXAGGSA-N 1 0 308.344 1.802 10 0 DDAERO C[C@@]1(C(=O)Nc2ccc(F)cc2Br)COC[C@H]1[NH3+] ZINC000090582236 185304751 /nfs/dbraw/zinc/30/47/51/185304751.db2.gz WRNCVLFTRDODTE-ZYHUDNBSSA-N 1 0 317.158 1.891 10 0 DDAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000092322411 185312369 /nfs/dbraw/zinc/31/23/69/185312369.db2.gz JQUVHZRIJDELTC-UONOGXRCSA-N 1 0 305.426 1.781 10 0 DDAERO Cc1noc(C)c1[C@@H](C)NS(=O)(=O)c1ccc(C[NH3+])cn1 ZINC000092344037 185313183 /nfs/dbraw/zinc/31/31/83/185313183.db2.gz MPSATTREVYSBOY-SECBINFHSA-N 1 0 310.379 1.185 10 0 DDAERO COCC[NH2+]CC(=O)N[C@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000092495294 185322381 /nfs/dbraw/zinc/32/23/81/185322381.db2.gz DSMZCWFMWAURIU-QWRGUYRKSA-N 1 0 312.332 1.229 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1c(C)n[nH]c1C ZINC000092666113 185332759 /nfs/dbraw/zinc/33/27/59/185332759.db2.gz NPTDTBAEVNEKBP-LBPRGKRZSA-N 1 0 300.428 1.131 10 0 DDAERO CC[NH2+][C@@H](C)[C@@H]1CCCCN1S(=O)(=O)c1cn(CC)cn1 ZINC000092889740 185348031 /nfs/dbraw/zinc/34/80/31/185348031.db2.gz KLMYBHFBESWGSS-STQMWFEESA-N 1 0 314.455 1.444 10 0 DDAERO CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000262793653 282294389 /nfs/dbraw/zinc/29/43/89/282294389.db2.gz NVGRMDDKJHPFTK-OXMIEMGYSA-N 1 0 318.508 1.278 10 0 DDAERO C[C@H]([NH3+])Cc1cc(Br)ccc1OCCC(N)=O ZINC000037725350 190665206 /nfs/dbraw/zinc/66/52/06/190665206.db2.gz BSAVDZVHALHBLV-QMMMGPOBSA-N 1 0 301.184 1.593 10 0 DDAERO CCOc1ncccc1NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111244357 185563229 /nfs/dbraw/zinc/56/32/29/185563229.db2.gz WBKAUYWYGDLAFT-GFCCVEGCSA-N 1 0 303.284 1.961 10 0 DDAERO C[NH2+][C@H](C)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1F ZINC000111714947 185629867 /nfs/dbraw/zinc/62/98/67/185629867.db2.gz HVLONKVUWSYFQY-YPMHNXCESA-N 1 0 300.399 1.977 10 0 DDAERO CC[NH2+][C@H](C)[C@@H]1CCCCN1S(=O)(=O)C[C@@H]1CCCO1 ZINC000111715427 185629908 /nfs/dbraw/zinc/62/99/08/185629908.db2.gz XIAWQCWIIBAUQG-RDBSUJKOSA-N 1 0 304.456 1.348 10 0 DDAERO CC(C)(C)OC(=O)NCCN1CC[NH2+][C@H](c2cccc(N)c2)C1 ZINC000616634497 362765227 /nfs/dbraw/zinc/76/52/27/362765227.db2.gz UIVOKWYQNYYJHU-HNNXBMFYSA-N 1 0 320.437 1.740 10 0 DDAERO CCCCOCCOC[C@H](O)C[NH2+]CCOCC(F)(F)F ZINC000070167039 190866040 /nfs/dbraw/zinc/86/60/40/190866040.db2.gz GFVXHRNJWPEYTK-GFCCVEGCSA-N 1 0 317.348 1.349 10 0 DDAERO Cc1nc(S(=O)(=O)N2CCC(C[NH2+]C(C)C)CC2)c[nH]1 ZINC000070421209 190888504 /nfs/dbraw/zinc/88/85/04/190888504.db2.gz YCYKHRYNMVHRQA-UHFFFAOYSA-N 1 0 300.428 1.117 10 0 DDAERO 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/nfs/dbraw/zinc/84/76/17/197847617.db2.gz IUBIADGBVIOROU-OAHLLOKOSA-N 1 0 323.441 1.235 10 0 DDAERO CC(C)[N@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(F)nc2)[C@@H](C)C1 ZINC000164025269 186146324 /nfs/dbraw/zinc/14/63/24/186146324.db2.gz JCZDUHOJHBLODT-JQWIXIFHSA-N 1 0 308.357 1.004 10 0 DDAERO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cc(F)c(F)cc1F ZINC000237458334 186292062 /nfs/dbraw/zinc/29/20/62/186292062.db2.gz ASGFUCVYRYMOPS-UFBFGSQYSA-N 1 0 322.352 1.994 10 0 DDAERO Cc1cc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c2ccccc2n1 ZINC000172308359 198077594 /nfs/dbraw/zinc/07/75/94/198077594.db2.gz WFRHFCDRAFOGNU-CQSZACIVSA-N 1 0 313.401 1.946 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(Cl)nc2)C1 ZINC000173887022 198265365 /nfs/dbraw/zinc/26/53/65/198265365.db2.gz MRHLJDRVKMYLIT-PWSUYJOCSA-N 1 0 317.842 1.742 10 0 DDAERO C[C@@H](COCc1ccccc1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000173917631 198268376 /nfs/dbraw/zinc/26/83/76/198268376.db2.gz FEAKFZIVGZWIBK-HOCLYGCPSA-N 1 0 305.422 1.937 10 0 DDAERO C[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)Oc1ccc(F)cc1 ZINC000173917296 198268410 /nfs/dbraw/zinc/26/84/10/198268410.db2.gz HLECAGMZYSUCHO-TZMCWYRMSA-N 1 0 309.385 1.939 10 0 DDAERO CCCn1cc(CN2CCCN(C(=O)[C@H]3CCC[NH2+]3)CC2)cn1 ZINC000182113474 199388320 /nfs/dbraw/zinc/38/83/20/199388320.db2.gz JIJNQNYFFUCGFT-MRXNPFEDSA-N 1 0 319.453 1.079 10 0 DDAERO CC[C@@H]1CN(C(=O)Cc2ccccc2F)CC[N@@H+]1C[C@@H](C)O ZINC000174640063 198363866 /nfs/dbraw/zinc/36/38/66/198363866.db2.gz KDEQFNRNTNTNPL-UKRRQHHQSA-N 1 0 308.397 1.672 10 0 DDAERO CC(C)(C(=O)Nc1cc(F)c(F)c(F)c1)N1CC[NH2+]CC1 ZINC000129732977 354084979 /nfs/dbraw/zinc/08/49/79/354084979.db2.gz KCQKIFPHAFTAMD-UHFFFAOYSA-N 1 0 301.312 1.726 10 0 DDAERO COC(=O)c1ccc(CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c(F)c1 ZINC000135419359 354115511 /nfs/dbraw/zinc/11/55/11/354115511.db2.gz XKGXDOKSWVPVDP-QWHCGFSZSA-N 1 0 324.396 1.499 10 0 DDAERO CCOC(=O)C1(c2ccccc2)CC[NH+](CCOCCO)CC1 ZINC000004215962 181085261 /nfs/dbraw/zinc/08/52/61/181085261.db2.gz KJTKYGFGPQSRRA-UHFFFAOYSA-N 1 0 321.417 1.592 10 0 in-man DDAERO CCc1nn(C)cc1C[NH2+][C@H]1CCCO[C@@H]1c1nccn1C ZINC000328629042 354551975 /nfs/dbraw/zinc/55/19/75/354551975.db2.gz HVNGMTVRMUHSQQ-GJZGRUSLSA-N 1 0 303.410 1.726 10 0 DDAERO CC(=O)N(C[C@H]1CCC[N@@H+]1Cc1cnc2ncccn12)C1CC1 ZINC000328631355 354553082 /nfs/dbraw/zinc/55/30/82/354553082.db2.gz KKDPYXUXEOESOW-OAHLLOKOSA-N 1 0 313.405 1.705 10 0 DDAERO Cc1nnc(N2C[C@@H](F)C[C@H]2C[NH2+][C@@H]2CCCSC2)o1 ZINC000328643540 354558225 /nfs/dbraw/zinc/55/82/25/354558225.db2.gz RJJFHBPSYHGCCP-TUAOUCFPSA-N 1 0 300.403 1.780 10 0 DDAERO CCCC[C@@H](COC)[NH2+][C@@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000328650606 354558834 /nfs/dbraw/zinc/55/88/34/354558834.db2.gz VONBAPIMOJXGDN-KGLIPLIRSA-N 1 0 308.426 1.946 10 0 DDAERO CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000397472313 354654945 /nfs/dbraw/zinc/65/49/45/354654945.db2.gz WTBNEQDLYTYCTK-GHMZBOCLSA-N 1 0 300.399 1.912 10 0 DDAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000085365065 192495972 /nfs/dbraw/zinc/49/59/72/192495972.db2.gz JONWDYJSKWYOAG-QJPTWQEYSA-N 1 0 307.360 1.504 10 0 DDAERO COC(=O)CCN(CC(F)(F)F)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085368709 192497147 /nfs/dbraw/zinc/49/71/47/192497147.db2.gz LPZKAMYBZVRMRU-VHSXEESVSA-N 1 0 310.316 1.458 10 0 DDAERO C[NH2+][C@H](C)c1cccc(S(=O)(=O)N[C@H](C)CCOC)c1 ZINC000081717809 192316952 /nfs/dbraw/zinc/31/69/52/192316952.db2.gz PVCAAQAOWLVLDW-VXGBXAGGSA-N 1 0 300.424 1.670 10 0 DDAERO CC[C@@H](C)[C@H]([NH3+])C(=O)NCCc1cc(F)cc2c1OCOC2 ZINC000236930284 202077714 /nfs/dbraw/zinc/07/77/14/202077714.db2.gz ZJJLUTSYGZQFJT-YGRLFVJLSA-N 1 0 310.369 1.724 10 0 DDAERO CCC[C@H]([NH3+])C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000236954722 202091809 /nfs/dbraw/zinc/09/18/09/202091809.db2.gz FWROAGFFYWHORT-AWEZNQCLSA-N 1 0 305.378 1.225 10 0 DDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(-n2ccnc2C)nc1 ZINC000236990518 202110412 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C[C@@H]([NH3+])[C@H](c1ccccc1Cl)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043051705 183332752 /nfs/dbraw/zinc/33/27/52/183332752.db2.gz ADFKYQWJSIETRV-JTNHKYCSSA-N 1 0 316.854 1.847 10 0 DDAERO COc1ccccc1[C@@H](Sc1nc(N)cc(=O)[nH]1)[C@H](C)[NH3+] ZINC000043101992 183338584 /nfs/dbraw/zinc/33/85/84/183338584.db2.gz XLSFYJPBGHVZCR-SDBXPKJASA-N 1 0 306.391 1.541 10 0 DDAERO CC[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(N)cc2F)C1 ZINC000043592608 183374671 /nfs/dbraw/zinc/37/46/71/183374671.db2.gz BFEHLIYFUATXIC-JTQLQIEISA-N 1 0 301.387 1.028 10 0 DDAERO CC[C@H](O)c1cccc(S(=O)(=O)NCC(C)(C)[NH+](C)C)c1 ZINC000043412614 183361109 /nfs/dbraw/zinc/36/11/09/183361109.db2.gz KOQSJJPHRVNMNO-AWEZNQCLSA-N 1 0 314.451 1.749 10 0 DDAERO CC(C)[NH2+]CCCS(=O)(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000043428329 183361765 /nfs/dbraw/zinc/36/17/65/183361765.db2.gz GXUBZVSOWHUTRX-UONOGXRCSA-N 1 0 304.456 1.348 10 0 DDAERO [NH3+]C[C@@H]1CCCCN1CC(=O)NCCc1cccc(Cl)c1 ZINC000044559027 183421495 /nfs/dbraw/zinc/42/14/95/183421495.db2.gz 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DWTYCELZDDFNRL-KBPBESRZSA-N 1 0 317.499 1.616 10 0 DDAERO C[NH+]1CCN(c2ccc(NC(=O)N[C@@H]3CCCO3)cc2)CC1 ZINC000074754005 185015800 /nfs/dbraw/zinc/01/58/00/185015800.db2.gz DKJBADSZNHDQHX-HNNXBMFYSA-N 1 0 304.394 1.696 10 0 DDAERO CCn1c(=O)[nH]nc1S[C@H]1COc2ccccc2[C@H]1[NH2+]C ZINC000081879865 192334042 /nfs/dbraw/zinc/33/40/42/192334042.db2.gz CRISMBBBROVBEJ-NWDGAFQWSA-N 1 0 306.391 1.405 10 0 DDAERO CCC[NH2+][C@@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(F)cc1 ZINC000081921364 192338650 /nfs/dbraw/zinc/33/86/50/192338650.db2.gz SUCMWEYPJMGVDO-KGLIPLIRSA-N 1 0 301.383 1.757 10 0 DDAERO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000249026153 282127563 /nfs/dbraw/zinc/12/75/63/282127563.db2.gz LKSMONHOZZPUQL-RWMBFGLXSA-N 1 0 313.442 1.698 10 0 DDAERO C[C@@H]1CC[C@H]([NH3+])[C@H](S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000081935348 192342560 /nfs/dbraw/zinc/34/25/60/192342560.db2.gz MPJGGKQPMFPHTO-IFUGULHKSA-N 1 0 311.403 1.747 10 0 DDAERO COCCS(=O)(=O)C[C@@H]([NH3+])c1ccc(OC(C)C)cc1 ZINC000081943050 192343919 /nfs/dbraw/zinc/34/39/19/192343919.db2.gz ADLQCRIEVOKSLZ-CQSZACIVSA-N 1 0 301.408 1.535 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H](CO)Cc1ccccc1 ZINC000079144893 185160181 /nfs/dbraw/zinc/16/01/81/185160181.db2.gz UYIJSAPDKYXJQG-IAGOWNOFSA-N 1 0 321.465 1.866 10 0 DDAERO C[C@@H](CC[NH3+])CCC(=O)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000079190597 185161173 /nfs/dbraw/zinc/16/11/73/185161173.db2.gz RMYNISVJJOPMMR-LLVKDONJSA-N 1 0 313.423 1.762 10 0 DDAERO CC[C@@H](CC[NH3+])CCC(=O)NCCCOC[C@@H]1CCCO1 ZINC000079211964 185161576 /nfs/dbraw/zinc/16/15/76/185161576.db2.gz STZYPNFVEOPKFB-CABCVRRESA-N 1 0 300.443 1.844 10 0 DDAERO C[C@]1(C(=O)N2CCN(C(=O)c3ccsc3)CC2)CCC[NH2+]1 ZINC000079518122 185173888 /nfs/dbraw/zinc/17/38/88/185173888.db2.gz DZOLRZMYBANABV-OAHLLOKOSA-N 1 0 307.419 1.175 10 0 DDAERO C[N@@H+]1CCC[C@H](CC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000082315872 185175796 /nfs/dbraw/zinc/17/57/96/185175796.db2.gz YGADTTACIZBIKU-OAHLLOKOSA-N 1 0 302.422 1.462 10 0 DDAERO C[NH+]1CCC(N2CCN(C(=O)Cc3cccs3)CC2)CC1 ZINC000082348099 185176864 /nfs/dbraw/zinc/17/68/64/185176864.db2.gz FJUUCSLUQNUMCE-UHFFFAOYSA-N 1 0 307.463 1.529 10 0 DDAERO COC[C@H](C)C(=O)N(Cc1cncnc1)[C@H]1CCC[NH2+]CC1 ZINC000328646890 231283446 /nfs/dbraw/zinc/28/34/46/231283446.db2.gz SVRMOAQJVLIWEH-ZFWWWQNUSA-N 1 0 306.410 1.230 10 0 DDAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1c(C)cc(OC)cc1C ZINC000087404384 185223759 /nfs/dbraw/zinc/22/37/59/185223759.db2.gz NAMDBXWECBKAKX-LBPRGKRZSA-N 1 0 300.424 1.718 10 0 DDAERO CCCOc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C(C)C)cc1 ZINC000087404548 185223780 /nfs/dbraw/zinc/22/37/80/185223780.db2.gz MSVYQLCANYSAMQ-AWEZNQCLSA-N 1 0 300.424 1.737 10 0 DDAERO CC[NH2+][C@@H]1c2ccccc2C[C@H]1S(=O)(=O)CCC(=O)OC ZINC000081975392 192347487 /nfs/dbraw/zinc/34/74/87/192347487.db2.gz GNISECVODCNOTB-UKRRQHHQSA-N 1 0 311.403 1.240 10 0 DDAERO CCOC(=O)CS(=O)(=O)Cc1cc([C@@H](C)[NH3+])ccc1OC ZINC000081977085 192347633 /nfs/dbraw/zinc/34/76/33/192347633.db2.gz XTUXFLARVWOABK-SNVBAGLBSA-N 1 0 315.391 1.193 10 0 DDAERO COc1nc(Nc2ccccc2Br)nc(NN)[nH+]1 ZINC000087896790 185235674 /nfs/dbraw/zinc/23/56/74/185235674.db2.gz IGGSOQCWAYCUKD-UHFFFAOYSA-N 1 0 311.143 1.672 10 0 DDAERO COc1cc([C@@H](C[NH3+])NCC(F)(F)F)cc(OC)c1OC ZINC000087929553 185237518 /nfs/dbraw/zinc/23/75/18/185237518.db2.gz XHKGMHUKNVGMNV-SECBINFHSA-N 1 0 308.300 1.864 10 0 DDAERO CNC(=O)[C@H]1CCCN1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000155837074 539210122 /nfs/dbraw/zinc/21/01/22/539210122.db2.gz PNAVACWULKHBHJ-HUUCEWRRSA-N 1 0 324.469 1.417 10 0 DDAERO C[C@@H]([NH3+])C[S@@](=O)CCOc1ccc(Br)cc1 ZINC000088069425 185238698 /nfs/dbraw/zinc/23/86/98/185238698.db2.gz BKBSWTIQKOESTL-JDNHERCYSA-N 1 0 306.225 1.924 10 0 DDAERO Brc1ccc2nnc(CN3CCC[NH2+]CC3)n2c1 ZINC000087846822 185233024 /nfs/dbraw/zinc/23/30/24/185233024.db2.gz BSDFOHSLURRZBV-UHFFFAOYSA-N 1 0 310.199 1.287 10 0 DDAERO CC[NH2+][C@@H]1CC(C)(C)Cc2c1cnn2[C@@H]1CCS(=O)(=O)C1 ZINC000087861950 185233756 /nfs/dbraw/zinc/23/37/56/185233756.db2.gz PRQRYSGITMWPGY-DGCLKSJQSA-N 1 0 311.451 1.866 10 0 DDAERO CN1CCN(c2nc(NN)[nH+]cc2Br)CC1(C)C ZINC000087877297 185234205 /nfs/dbraw/zinc/23/42/05/185234205.db2.gz SMAMOTLGMCZHFX-UHFFFAOYSA-N 1 0 315.219 1.055 10 0 DDAERO CNS(=O)(=O)c1ccc(Oc2ccc(CC[NH3+])cc2)cc1 ZINC000087882031 185234378 /nfs/dbraw/zinc/23/43/78/185234378.db2.gz SADWMYDMZGIJIM-UHFFFAOYSA-N 1 0 306.387 1.888 10 0 DDAERO CCO[C@@H](C[NH3+])C[S@@](=O)c1cccc(Br)c1 ZINC000088145374 185240591 /nfs/dbraw/zinc/24/05/91/185240591.db2.gz YJBIOHAMJDXJBA-QFYYESIMSA-N 1 0 306.225 1.921 10 0 DDAERO COC(=O)CCS(=O)(=O)[C@H](C(C)C)[C@@H]([NH3+])c1ccccc1 ZINC000081974486 192348136 /nfs/dbraw/zinc/34/81/36/192348136.db2.gz NYOHOWKYZMPPAX-LSDHHAIUSA-N 1 0 313.419 1.689 10 0 DDAERO COc1ccccc1C[C@@H](C)N(C)S(=O)(=O)CCC[NH3+] ZINC000088196258 185241391 /nfs/dbraw/zinc/24/13/91/185241391.db2.gz BJCCAVNAMRIGHU-GFCCVEGCSA-N 1 0 300.424 1.237 10 0 DDAERO CCC[C@@H]1CC[C@@H]([NH2+]CC)[C@H](S(=O)(=O)CC(=O)OCC)C1 ZINC000081977196 192348476 /nfs/dbraw/zinc/34/84/76/192348476.db2.gz ZJVLXJJPMALORH-MGPQQGTHSA-N 1 0 319.467 1.911 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000246192046 282198067 /nfs/dbraw/zinc/19/80/67/282198067.db2.gz DLGGOLSZKUGKPG-TUVASFSCSA-N 1 0 307.438 1.680 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000088543468 185256622 /nfs/dbraw/zinc/25/66/22/185256622.db2.gz YADZSXIDAQOBHA-PHIMTYICSA-N 1 0 302.396 1.187 10 0 DDAERO CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCC1CC[NH+](C)CC1 ZINC000088559111 185257778 /nfs/dbraw/zinc/25/77/78/185257778.db2.gz SSVYINZGLIPSSO-ZDUSSCGKSA-N 1 0 320.441 1.316 10 0 DDAERO COC[C@@H]1CN(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)C[C@H](C)O1 ZINC000251986909 282207433 /nfs/dbraw/zinc/20/74/33/282207433.db2.gz VSXFYGUJOZNUKG-CBBWQLFWSA-N 1 0 313.442 1.160 10 0 DDAERO NC(=O)[C@@H]1C[NH2+]CCN1Cc1sc2ccccc2c1Cl ZINC000088668570 185262207 /nfs/dbraw/zinc/26/22/07/185262207.db2.gz DSATXPLTWLAZAC-JTQLQIEISA-N 1 0 309.822 1.814 10 0 DDAERO CCc1cc(N2CC[NH+]([C@H](CC)C(N)=S)CC2)nc(C)n1 ZINC000088760029 185264339 /nfs/dbraw/zinc/26/43/39/185264339.db2.gz WUIZMTQESCWSEJ-CYBMUJFWSA-N 1 0 307.467 1.534 10 0 DDAERO CS(=O)(=O)c1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000081990830 192350179 /nfs/dbraw/zinc/35/01/79/192350179.db2.gz XUBRRMNVCJCNBJ-QWHCGFSZSA-N 1 0 317.432 1.134 10 0 DDAERO CCCc1ccc([C@@H]([NH3+])C[S@](=O)CCS(C)(=O)=O)cc1 ZINC000081992366 192352274 /nfs/dbraw/zinc/35/22/74/192352274.db2.gz SQTDBCDPEPJTJF-LIRRHRJNSA-N 1 0 317.476 1.432 10 0 DDAERO Clc1cc(CN2CC(N3CC[NH2+]CC3)C2)cc2c1OCO2 ZINC000090309420 185290423 /nfs/dbraw/zinc/29/04/23/185290423.db2.gz XTTNVVGXKMVIDM-UHFFFAOYSA-N 1 0 309.797 1.158 10 0 DDAERO Cc1ccc(NC(=O)N2CC(N3CC[NH2+]CC3)C2)cc1Cl ZINC000090308988 185290531 /nfs/dbraw/zinc/29/05/31/185290531.db2.gz DSEAGUOKVGLGAQ-UHFFFAOYSA-N 1 0 308.813 1.770 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NC(=O)c1ccc(Br)cn1 ZINC000090311669 185290586 /nfs/dbraw/zinc/29/05/86/185290586.db2.gz RWNNPZVSGFXZGH-IEBDPFPHSA-N 1 0 314.183 1.079 10 0 DDAERO O=C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)Nc1ncc(Cl)cc1Cl ZINC000090322409 185290904 /nfs/dbraw/zinc/29/09/04/185290904.db2.gz HMNRPPNUNQQCIC-RKDXNWHRSA-N 1 0 315.204 1.478 10 0 DDAERO O=C(c1c(F)c(F)c(F)c(F)c1F)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090321291 185290930 /nfs/dbraw/zinc/29/09/30/185290930.db2.gz KYLJLJBDDBLZMQ-WDSKDSINSA-N 1 0 306.234 1.674 10 0 DDAERO CC(C)(C)c1nnsc1C(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000090335726 185291542 /nfs/dbraw/zinc/29/15/42/185291542.db2.gz KLJJGBHBHLFGDN-UWVGGRQHSA-N 1 0 308.451 1.906 10 0 DDAERO COC(=O)c1sccc1NC(=O)CS[C@@H](C)CC[NH3+] ZINC000090354700 185292271 /nfs/dbraw/zinc/29/22/71/185292271.db2.gz WONHACVSVKZTNN-QMMMGPOBSA-N 1 0 302.421 1.944 10 0 DDAERO COc1cc(NC(=O)[C@H]2COC[C@H]2[NH3+])c(OC)cc1Cl ZINC000090378549 185293474 /nfs/dbraw/zinc/29/34/74/185293474.db2.gz DJYWJHRLSSMMEQ-IONNQARKSA-N 1 0 300.742 1.269 10 0 DDAERO CSc1nc2ccc(NC(=O)[C@H]3COC[C@H]3[NH3+])cc2s1 ZINC000090380001 185293488 /nfs/dbraw/zinc/29/34/88/185293488.db2.gz UMEFZJJUZKEJHV-DTWKUNHWSA-N 1 0 309.416 1.930 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(Br)c(C)c1 ZINC000090431573 185295923 /nfs/dbraw/zinc/29/59/23/185295923.db2.gz ACXNVNNSDNQPHW-JQWIXIFHSA-N 1 0 313.195 1.930 10 0 DDAERO C[C@]1(C(=O)NCc2ccccc2OC(F)F)COC[C@H]1[NH3+] ZINC000090599554 185305834 /nfs/dbraw/zinc/30/58/34/185305834.db2.gz MDGZUBCWGNEJNO-RISCZKNCSA-N 1 0 300.305 1.268 10 0 DDAERO C[C@]1(C(=O)NCc2cc(Br)cs2)COC[C@H]1[NH3+] ZINC000090605217 185306098 /nfs/dbraw/zinc/30/60/98/185306098.db2.gz VBAGHPPMNROLFC-KOLCDFICSA-N 1 0 319.224 1.491 10 0 DDAERO C[C@@]1(C(=O)Nc2cccc(OC(F)(F)F)c2)COC[C@H]1[NH3+] ZINC000090581361 185304862 /nfs/dbraw/zinc/30/48/62/185304862.db2.gz HFHYICILYYJTCA-ZYHUDNBSSA-N 1 0 304.268 1.888 10 0 DDAERO Cc1cc(S(=O)(=O)NCc2c(C)noc2C)sc1C[NH3+] ZINC000092344147 185313226 /nfs/dbraw/zinc/31/32/26/185313226.db2.gz QTJGZECFCCHOGH-UHFFFAOYSA-N 1 0 315.420 1.599 10 0 DDAERO Cc1noc(C)c1[C@@H](C)NS(=O)(=O)c1cc(C[NH3+])cs1 ZINC000092344060 185313241 /nfs/dbraw/zinc/31/32/41/185313241.db2.gz JCGMPIFOFUUYGD-MRVPVSSYSA-N 1 0 315.420 1.851 10 0 DDAERO COCC[NH2+]CC(=O)Nc1cccc(Cl)c1-n1ccnc1 ZINC000092495307 185322278 /nfs/dbraw/zinc/32/22/78/185322278.db2.gz UNKILDINGWKNBI-UHFFFAOYSA-N 1 0 308.769 1.700 10 0 DDAERO COCC[NH2+]CC(=O)Nc1cccc(Cl)c1-n1cncn1 ZINC000092495519 185322351 /nfs/dbraw/zinc/32/23/51/185322351.db2.gz LTGBGQIZDLQOFO-UHFFFAOYSA-N 1 0 309.757 1.095 10 0 DDAERO Cc1c(CO)cccc1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000092678301 185333400 /nfs/dbraw/zinc/33/34/00/185333400.db2.gz HTHMEORBRHLQDV-AWEZNQCLSA-N 1 0 312.435 1.202 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(N)cc1F ZINC000092622656 185329953 /nfs/dbraw/zinc/32/99/53/185329953.db2.gz JIWFIPSRANONKW-GFCCVEGCSA-N 1 0 315.414 1.513 10 0 DDAERO C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CN1CCC([NH3+])CC1 ZINC000092714062 185336014 /nfs/dbraw/zinc/33/60/14/185336014.db2.gz PLTARGANWVOEII-JTQLQIEISA-N 1 0 307.360 1.599 10 0 DDAERO Cc1ccc(CO)cc1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000092678030 185333504 /nfs/dbraw/zinc/33/35/04/185333504.db2.gz WWCAKZYCEBXGBQ-AWEZNQCLSA-N 1 0 312.435 1.202 10 0 DDAERO O=C(c1cn(C2C[NH2+]C2)nn1)N1CCC[C@@H]1c1cccs1 ZINC000092701127 185333784 /nfs/dbraw/zinc/33/37/84/185333784.db2.gz NRYQTSNEXDJZEU-GFCCVEGCSA-N 1 0 303.391 1.461 10 0 DDAERO C[NH2+]CC1CCN(S(=O)(=O)NC2C(C)(C)C2(C)C)CC1 ZINC000092833216 185344822 /nfs/dbraw/zinc/34/48/22/185344822.db2.gz FJXVLHFCJWVEJH-UHFFFAOYSA-N 1 0 303.472 1.187 10 0 DDAERO C[NH2+]Cc1c(C)[nH]nc1S(=O)(=O)NC1C(C)(C)C1(C)C ZINC000092833223 185345020 /nfs/dbraw/zinc/34/50/20/185345020.db2.gz VNEIJALZDSTNGR-UHFFFAOYSA-N 1 0 300.428 1.150 10 0 DDAERO COC(=O)c1c2c(sc1NC(=O)[C@@H]1CC[NH2+][C@H]1C)CCC2 ZINC000092956086 185350402 /nfs/dbraw/zinc/35/04/02/185350402.db2.gz FESYULWTSHZJGI-DTWKUNHWSA-N 1 0 308.403 1.960 10 0 DDAERO C[C@H]1CN(Cc2cnc3ccc(Br)cn23)C[C@@H]1[NH3+] ZINC000261918918 282289110 /nfs/dbraw/zinc/28/91/10/282289110.db2.gz BLPUBUOQNUSXEY-CABZTGNLSA-N 1 0 309.211 1.876 10 0 DDAERO C[NH2+][C@H](C[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCCO2 ZINC000097077919 185406126 /nfs/dbraw/zinc/40/61/26/185406126.db2.gz ONOCCFCWZIVQNV-DGCLKSJQSA-N 1 0 311.403 1.543 10 0 DDAERO CCc1nn(C)c(C[C@]2(CO)CCC[NH2+]C2)c1Br ZINC000097153683 185416586 /nfs/dbraw/zinc/41/65/86/185416586.db2.gz ZUZURWBFDGJMCH-CYBMUJFWSA-N 1 0 316.243 1.650 10 0 DDAERO COc1ccc(Br)cc1C[C@@]1(CO)CC[NH2+]C1 ZINC000097154426 185416692 /nfs/dbraw/zinc/41/66/92/185416692.db2.gz HZMHYIHPVWXBFY-ZDUSSCGKSA-N 1 0 300.196 1.972 10 0 DDAERO COC[C@@H](C)C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000109291625 185559345 /nfs/dbraw/zinc/55/93/45/185559345.db2.gz VQJXHKIRFTWKRI-CQSZACIVSA-N 1 0 308.426 1.088 10 0 DDAERO CCC[NH2+][C@H](C)[C@H]1CCCN(S(=O)(=O)N2CCCC2)C1 ZINC000111713579 185628890 /nfs/dbraw/zinc/62/88/90/185628890.db2.gz NAWDVECHVMOTGR-KGLIPLIRSA-N 1 0 303.472 1.427 10 0 DDAERO C[NH2+][C@H](C)[C@H]1CCCCN1S(=O)(=O)N1CCCC[C@@H]1C ZINC000111715023 185629754 /nfs/dbraw/zinc/62/97/54/185629754.db2.gz UOIXWBKFMPKWJM-BFHYXJOUSA-N 1 0 303.472 1.568 10 0 DDAERO CCOCCS(=O)(=O)N1CCC[C@@H](C[NH2+]C(C)(C)C)C1 ZINC000111719795 185630595 /nfs/dbraw/zinc/63/05/95/185630595.db2.gz HHOXPAYSHOHCMV-ZDUSSCGKSA-N 1 0 306.472 1.453 10 0 DDAERO CC[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cncc(F)c1 ZINC000111720375 185631561 /nfs/dbraw/zinc/63/15/61/185631561.db2.gz XBSJXUWIGGILIZ-GFCCVEGCSA-N 1 0 301.387 1.373 10 0 DDAERO Cc1cc(F)ccc1S(=O)(=O)NCCOC1CC[NH2+]CC1 ZINC000111791471 185636868 /nfs/dbraw/zinc/63/68/68/185636868.db2.gz LAKVLDNQPVGVEO-UHFFFAOYSA-N 1 0 316.398 1.181 10 0 DDAERO CC(C)(C)OC(=O)NCCN1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000616653822 362770637 /nfs/dbraw/zinc/77/06/37/362770637.db2.gz LMDDPPQEGULIFZ-CQSZACIVSA-N 1 0 306.410 1.553 10 0 DDAERO C[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)n1cc(S(C)(=O)=O)cn1 ZINC000725251893 539569435 /nfs/dbraw/zinc/56/94/35/539569435.db2.gz HPKRGOQCZXXSLA-RDDDGLTNSA-N 1 0 319.839 1.938 10 0 DDAERO C[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2F)[C@@H]1C[NH3+] ZINC000070177429 190867635 /nfs/dbraw/zinc/86/76/35/190867635.db2.gz LRYQYZYSVZNODY-PSASIEDQSA-N 1 0 322.352 1.852 10 0 DDAERO CCCn1cc(S(=O)(=O)N(CC[NH3+])C2CCCC2)nc1C ZINC000070975352 190927908 /nfs/dbraw/zinc/92/79/08/190927908.db2.gz SJXPLOZCHLQEOG-UHFFFAOYSA-N 1 0 314.455 1.494 10 0 DDAERO CC[C@H]1COCCN1S(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000071241699 190947921 /nfs/dbraw/zinc/94/79/21/190947921.db2.gz BNMICODUHDWDDN-NSHDSACASA-N 1 0 302.371 1.084 10 0 DDAERO CC[C@H]1C[NH2+][C@@H](Cc2ccccc2)CN1CCS(C)(=O)=O ZINC000071352838 190962503 /nfs/dbraw/zinc/96/25/03/190962503.db2.gz HMDMFZGYUJXVPJ-HOTGVXAUSA-N 1 0 310.463 1.326 10 0 DDAERO CC[NH2+][C@@H](C[S@@](=O)CCOC)c1ccc(OC)cc1OC ZINC000084036408 192396189 /nfs/dbraw/zinc/39/61/89/192396189.db2.gz FQJCFABMIODDRZ-LHSJRXKWSA-N 1 0 315.435 1.750 10 0 DDAERO CNC(=O)c1cccc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171901878 198004712 /nfs/dbraw/zinc/00/47/12/198004712.db2.gz WYNQXKZAIOMLSO-OAHLLOKOSA-N 1 0 316.405 1.036 10 0 DDAERO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000054307496 352686248 /nfs/dbraw/zinc/68/62/48/352686248.db2.gz NBBZRTMSGCGXMO-NWDGAFQWSA-N 1 0 307.360 1.377 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000174070851 198288396 /nfs/dbraw/zinc/28/83/96/198288396.db2.gz FCRNKLXNDUXVPJ-JKSUJKDBSA-N 1 0 312.841 1.762 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(CC(=O)N(C)Cc2ccccc2)CC1 ZINC000174091143 198289927 /nfs/dbraw/zinc/28/99/27/198289927.db2.gz RMVKBDNHRQDQMU-KRWDZBQOSA-N 1 0 319.449 1.034 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2Cc3ccccc32)CCO1 ZINC000117037662 353992362 /nfs/dbraw/zinc/99/23/62/353992362.db2.gz VCFQZOHKDKVLQF-LSDHHAIUSA-N 1 0 303.406 1.298 10 0 DDAERO C[C@H](CCC[NH3+])Nc1ncc(I)cn1 ZINC000126419696 354054257 /nfs/dbraw/zinc/05/42/57/354054257.db2.gz 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AGDXBVIPILYDNW-MNOVXSKESA-N 1 0 316.268 1.380 10 0 DDAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2ccc3c(c2)OC(F)(F)O3)O1 ZINC000094563405 193380415 /nfs/dbraw/zinc/38/04/15/193380415.db2.gz RXGDKDJCYUBDMM-PSASIEDQSA-N 1 0 300.261 1.453 10 0 DDAERO Cc1cccc(CN(C)C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)n1 ZINC000094915126 193406008 /nfs/dbraw/zinc/40/60/08/193406008.db2.gz IYTUZKUGWPIFEE-ZDUSSCGKSA-N 1 0 301.312 1.890 10 0 DDAERO Cc1cc(N2CCN(S(C)(=O)=O)CC2)c([C@H](C)[NH3+])cc1F ZINC000094766587 193396559 /nfs/dbraw/zinc/39/65/59/193396559.db2.gz FADMHWFEFTZNTP-NSHDSACASA-N 1 0 315.414 1.235 10 0 DDAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)NC[C@@]2(C)CCCO2)cc1 ZINC000094805070 193399658 /nfs/dbraw/zinc/39/96/58/193399658.db2.gz RDDJVUUFEIIWAS-IUODEOHRSA-N 1 0 312.435 1.814 10 0 DDAERO C[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1cnn(C)c1C ZINC000097309338 193706503 /nfs/dbraw/zinc/70/65/03/193706503.db2.gz QIVHRTFDUHVVCX-OCCSQVGLSA-N 1 0 314.455 1.051 10 0 DDAERO C[NH2+]Cc1cc(Br)c(O[C@@H](C)C(N)=O)c(OC)c1 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/nfs/dbraw/zinc/41/38/88/407413888.db2.gz HXTBNESINNQZAQ-AWEZNQCLSA-N 1 0 320.389 1.221 10 0 DDAERO COC[C@H](O)C[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000126675045 407419136 /nfs/dbraw/zinc/41/91/36/407419136.db2.gz JJTNKPUEDBSILU-KGLIPLIRSA-N 1 0 314.451 1.061 10 0 DDAERO CCCC(=O)N[C@H]1CCC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000170651834 407465939 /nfs/dbraw/zinc/46/59/39/407465939.db2.gz MEEJCOGOFPYYIC-DLBZAZTESA-N 1 0 304.434 1.971 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000113227904 407477200 /nfs/dbraw/zinc/47/72/00/407477200.db2.gz MHUMTMHTYORWNK-SWLSCSKDSA-N 1 0 313.401 1.880 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000113232134 407480589 /nfs/dbraw/zinc/48/05/89/407480589.db2.gz VGVHCOBWILMLNR-DGCLKSJQSA-N 1 0 315.373 1.326 10 0 DDAERO Cc1cc(CN2CCO[C@H](C[NH+](C)C)C2)ccc1-n1cncn1 ZINC000128179707 407506833 /nfs/dbraw/zinc/50/68/33/407506833.db2.gz MVCOZQFIPCQUFB-MRXNPFEDSA-N 1 0 315.421 1.338 10 0 DDAERO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(Cc2nncn2C)C1 ZINC000195251518 407446674 /nfs/dbraw/zinc/44/66/74/407446674.db2.gz RGCJMFZQWAPUBJ-CYBMUJFWSA-N 1 0 320.466 1.534 10 0 DDAERO O=C(NCCCc1ccccn1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000178427646 407450551 /nfs/dbraw/zinc/45/05/51/407450551.db2.gz XBVDDWWPTAATIW-MRXNPFEDSA-N 1 0 320.437 1.160 10 0 DDAERO CNC(=O)[C@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)C(C)C ZINC000178453215 407462363 /nfs/dbraw/zinc/46/23/63/407462363.db2.gz ABWBSVJZYCTAOQ-CYBMUJFWSA-N 1 0 312.458 1.321 10 0 DDAERO Cc1nc(NC[C@H]([NH3+])c2ccccc2)sc1S(N)(=O)=O ZINC000261669570 407575533 /nfs/dbraw/zinc/57/55/33/407575533.db2.gz FUYMNJKKEZMGEV-JTQLQIEISA-N 1 0 312.420 1.211 10 0 DDAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2ccccc2n1 ZINC000178746754 407581738 /nfs/dbraw/zinc/58/17/38/407581738.db2.gz DLEMRVXRTRMHGW-INIZCTEOSA-N 1 0 323.400 1.864 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccccc2OCCC(N)=O)C1 ZINC000171079323 407591513 /nfs/dbraw/zinc/59/15/13/407591513.db2.gz KEOHGSGZBCRKIE-LBPRGKRZSA-N 1 0 320.393 1.109 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)NCc2cccc3c2OCCCO3)C1 ZINC000152207186 407583866 /nfs/dbraw/zinc/58/38/66/407583866.db2.gz OIVSFGQZGARGSD-AWEZNQCLSA-N 1 0 319.405 1.693 10 0 DDAERO COc1cccc(C[C@H](C)NC(=O)[C@@H]([NH3+])C2CCOCC2)c1 ZINC000261712083 407589531 /nfs/dbraw/zinc/58/95/31/407589531.db2.gz IUUCJOXDSCZNEB-LRDDRELGSA-N 1 0 306.406 1.496 10 0 DDAERO CSc1nc(C(=O)N2CC[C@H]([NH+](C)C)C2)c2ccccn21 ZINC000170864655 407539070 /nfs/dbraw/zinc/53/90/70/407539070.db2.gz COPFQMKJQPUBOX-NSHDSACASA-N 1 0 304.419 1.832 10 0 DDAERO C[C@@H]([NH3+])CCNC(=O)COc1ccc(Br)cc1F ZINC000178670968 407540327 /nfs/dbraw/zinc/54/03/27/407540327.db2.gz QNRFUSCKVFWCKV-MRVPVSSYSA-N 1 0 319.174 1.821 10 0 DDAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000170873654 407541780 /nfs/dbraw/zinc/54/17/80/407541780.db2.gz PUBIORRVLXYKEM-SNVBAGLBSA-N 1 0 306.790 1.804 10 0 DDAERO C[C@H]([NH2+]CC(=O)NC(=O)NCC(F)(F)F)c1cccs1 ZINC000171112435 407600772 /nfs/dbraw/zinc/60/07/72/407600772.db2.gz XGHVWENNRCWRSB-ZETCQYMHSA-N 1 0 309.313 1.787 10 0 DDAERO C[C@@H](NC(=O)[C@H]([NH3+])C1CCOCC1)c1ccc2c(c1)OCO2 ZINC000261768057 407606392 /nfs/dbraw/zinc/60/63/92/407606392.db2.gz MDMDLLSTMMMOEF-MEBBXXQBSA-N 1 0 306.362 1.346 10 0 DDAERO CC(C)c1nn(C)c(N2CCOCC2)c1C[NH2+]CC[C@@H](C)O ZINC000114771628 407614561 /nfs/dbraw/zinc/61/45/61/407614561.db2.gz BKACBKCAZLDEBL-CYBMUJFWSA-N 1 0 310.442 1.241 10 0 DDAERO O=C(NCc1ccc(CN2CCOCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000261786538 407617526 /nfs/dbraw/zinc/61/75/26/407617526.db2.gz SLYDLXRUDYWNPW-KRWDZBQOSA-N 1 0 317.433 1.135 10 0 DDAERO CCS[C@@H]1CCC[C@@H](NC(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261737214 407594525 /nfs/dbraw/zinc/59/45/25/407594525.db2.gz KFTRFYVQUXQCAT-MCIONIFRSA-N 1 0 300.468 1.921 10 0 DDAERO C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)N1CCC[C@@H](C)C1 ZINC000261965895 407694497 /nfs/dbraw/zinc/69/44/97/407694497.db2.gz PZJNXKNCVXDKTE-DUQPFJRNSA-N 1 0 309.498 1.854 10 0 DDAERO CC(=O)c1ccccc1OCCN1CCO[C@@H](C[NH+](C)C)C1 ZINC000171637788 407730041 /nfs/dbraw/zinc/73/00/41/407730041.db2.gz KNXLFISWRUVPHJ-HNNXBMFYSA-N 1 0 306.406 1.530 10 0 DDAERO CCc1csc(N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000262041417 407720331 /nfs/dbraw/zinc/72/03/31/407720331.db2.gz BWXGPQHCFBZSTP-OCCSQVGLSA-N 1 0 322.478 1.790 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCC(=O)N1CCCCC1 ZINC000179107719 407722431 /nfs/dbraw/zinc/72/24/31/407722431.db2.gz YVKBBHLCKPHUTG-OAHLLOKOSA-N 1 0 324.469 1.419 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1nc(-c2ccccc2OC)cs1 ZINC000262237733 407772861 /nfs/dbraw/zinc/77/28/61/407772861.db2.gz RESXGSILFFKRID-SNVBAGLBSA-N 1 0 307.375 1.731 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(-n3ccnc3)cc2)CCO1 ZINC000116783889 407776236 /nfs/dbraw/zinc/77/62/36/407776236.db2.gz QTIVJOTWNCNUFM-INIZCTEOSA-N 1 0 314.389 1.275 10 0 DDAERO C[C@]1(CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)CCCS1 ZINC000153290018 407794042 /nfs/dbraw/zinc/79/40/42/407794042.db2.gz BYDKJJIPTFREEV-DZGCQCFKSA-N 1 0 315.483 1.418 10 0 DDAERO COC[C@@H]([NH3+])C(=O)NCc1csc(CCc2ccccc2)n1 ZINC000262298365 407787117 /nfs/dbraw/zinc/78/71/17/407787117.db2.gz NQAYCWWETPUQRN-CQSZACIVSA-N 1 0 319.430 1.518 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)c2c[nH]nc2-c2ccccc2)CCO1 ZINC000116978131 407802531 /nfs/dbraw/zinc/80/25/31/407802531.db2.gz OJFCZEUMPJZFQE-AWEZNQCLSA-N 1 0 314.389 1.479 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1cnn(-c2cc(C)ccc2C)c1C ZINC000262337832 407804021 /nfs/dbraw/zinc/80/40/21/407804021.db2.gz SHGNYXTUZWFJDN-CYBMUJFWSA-N 1 0 302.378 1.710 10 0 DDAERO [NH3+][C@@H]1CC[C@@H]2CN(CC(=O)NCCc3ccc(F)cc3)C[C@@H]12 ZINC000262393444 407822999 /nfs/dbraw/zinc/82/29/99/407822999.db2.gz BNTOJAXNZZNRDW-FVQBIDKESA-N 1 0 305.397 1.154 10 0 DDAERO CC[C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)CC[N@@H+]1CCOC ZINC000117308366 407825615 /nfs/dbraw/zinc/82/56/15/407825615.db2.gz OEQVPPQZUWHGHD-CVEARBPZSA-N 1 0 312.454 1.905 10 0 DDAERO Cc1c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cnn1C1CCOCC1 ZINC000179813915 407836465 /nfs/dbraw/zinc/83/64/65/407836465.db2.gz ZUKHMOQEOXOFAB-OAHLLOKOSA-N 1 0 318.421 1.463 10 0 DDAERO COc1cc(OC)nc(NC[C@@H]2[NH2+]CCc3ccccc32)n1 ZINC000262531270 407858375 /nfs/dbraw/zinc/85/83/75/407858375.db2.gz POUCRDBJXRUDRY-ZDUSSCGKSA-N 1 0 300.362 1.793 10 0 DDAERO Cc1c(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cccc1N(C)C ZINC000180191125 407862894 /nfs/dbraw/zinc/86/28/94/407862894.db2.gz QIBDPTODRVHELC-AWEZNQCLSA-N 1 0 320.437 1.855 10 0 DDAERO Cc1cnn(CCNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000118065238 407879859 /nfs/dbraw/zinc/87/98/59/407879859.db2.gz DUGKPSKRKYJTEU-ZFWWWQNUSA-N 1 0 307.442 1.611 10 0 DDAERO COC[C@@H](O)CC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000153755459 407893437 /nfs/dbraw/zinc/89/34/37/407893437.db2.gz YKRHGBNASKHOIJ-KGLIPLIRSA-N 1 0 316.442 1.621 10 0 DDAERO CCOC(=O)C[C@H](C)CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000134381151 407897246 /nfs/dbraw/zinc/89/72/46/407897246.db2.gz DKYXCCPJDDTDDW-MELADBBJSA-N 1 0 313.442 1.604 10 0 DDAERO CCc1cc(=O)n2nc(N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)sc2n1 ZINC000133496933 407850298 /nfs/dbraw/zinc/85/02/98/407850298.db2.gz UXFXBDLKUDKQLJ-GXSJLCMTSA-N 1 0 319.434 1.751 10 0 DDAERO CCNC(=O)c1ccc(Cl)cc1NC(=O)C[C@@H](C[NH3+])OC ZINC000262826932 407947686 /nfs/dbraw/zinc/94/76/86/407947686.db2.gz HLOPPVOWIIGWEF-JTQLQIEISA-N 1 0 313.785 1.392 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc3[nH]ccc32)C[C@H]1C ZINC000245422337 407973874 /nfs/dbraw/zinc/97/38/74/407973874.db2.gz PKUFEXSWWARRFZ-OLZOCXBDSA-N 1 0 301.390 1.695 10 0 DDAERO COC[C@H](C)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188169355 407922355 /nfs/dbraw/zinc/92/23/55/407922355.db2.gz UTWGSMQVGGTCCC-YJBOKZPZSA-N 1 0 320.433 1.364 10 0 DDAERO COc1ncc(C)cc1NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000174988910 408023561 /nfs/dbraw/zinc/02/35/61/408023561.db2.gz LPKBVFYSAVONBE-CYBMUJFWSA-N 1 0 322.409 1.367 10 0 DDAERO CC[C@@H]1CN(CCO[C@@H]2CCCCO2)CC[N@@H+]1CCOC ZINC000181688870 408027636 /nfs/dbraw/zinc/02/76/36/408027636.db2.gz JJGVGDVQEKVMPH-HZPDHXFCSA-N 1 0 300.443 1.572 10 0 DDAERO CC[NH+]1CCC(CCNC(=O)NCCn2cc(C)cn2)CC1 ZINC000175038902 408036252 /nfs/dbraw/zinc/03/62/52/408036252.db2.gz YSCAJUVBRCBDCY-UHFFFAOYSA-N 1 0 307.442 1.613 10 0 DDAERO COCCc1ccccc1NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000189525802 408042211 /nfs/dbraw/zinc/04/22/11/408042211.db2.gz NXTWZUBADFUHCO-CQSZACIVSA-N 1 0 307.394 1.328 10 0 DDAERO CCC1(CNC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000181928396 408052104 /nfs/dbraw/zinc/05/21/04/408052104.db2.gz YXBGSMFMHWZKGI-CQSZACIVSA-N 1 0 311.470 1.911 10 0 DDAERO C[N@H+](CCNC(=O)N1CCC[C@H](n2cncn2)C1)C1CCCC1 ZINC000174758140 407987041 /nfs/dbraw/zinc/98/70/41/407987041.db2.gz ITDCJVFMOXBROU-HNNXBMFYSA-N 1 0 320.441 1.499 10 0 DDAERO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC(F)(F)CN1 ZINC000263017083 408004187 /nfs/dbraw/zinc/00/41/87/408004187.db2.gz QLVLFIOITCHCNL-CABCVRRESA-N 1 0 323.387 1.764 10 0 DDAERO COc1ccc([C@H](C)c2nc([C@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263214407 408059199 /nfs/dbraw/zinc/05/91/99/408059199.db2.gz KQGKJRLHNQMWMJ-SMDDNHRTSA-N 1 0 302.378 1.806 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCCC(=O)NC(C)C ZINC000119405766 408062339 /nfs/dbraw/zinc/06/23/39/408062339.db2.gz NXEIQDBMKIKHCI-OAHLLOKOSA-N 1 0 311.470 1.918 10 0 DDAERO CN1CC[NH2+]C[C@H]1c1noc(CCSCc2ccccn2)n1 ZINC000263249310 408075673 /nfs/dbraw/zinc/07/56/73/408075673.db2.gz PQBBCYLYBMIART-ZDUSSCGKSA-N 1 0 319.434 1.517 10 0 DDAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1c[nH]nc1-c1c(F)cccc1F ZINC000263251849 408076242 /nfs/dbraw/zinc/07/62/42/408076242.db2.gz QAQNDDRTLWUOPS-TVQRCGJNSA-N 1 0 308.332 1.025 10 0 DDAERO CN(C)[C@H](c1nc([C@@H]2C[NH2+]CCN2C)no1)c1ccccc1 ZINC000263272198 408084759 /nfs/dbraw/zinc/08/47/59/408084759.db2.gz SIQPFEVDJPDGHD-KBPBESRZSA-N 1 0 301.394 1.297 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccccc1OC ZINC000175396255 408121057 /nfs/dbraw/zinc/12/10/57/408121057.db2.gz DADFHZWPECGGJD-CYBMUJFWSA-N 1 0 312.435 1.800 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CNC(=O)c1cccc(F)c1 ZINC000137108359 408140877 /nfs/dbraw/zinc/14/08/77/408140877.db2.gz AGQCCTAUFHSUNH-OAHLLOKOSA-N 1 0 323.412 1.648 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCN1CCOC1=O ZINC000246109793 408145113 /nfs/dbraw/zinc/14/51/13/408145113.db2.gz HTDSWMMHDINWMW-KBPBESRZSA-N 1 0 324.425 1.097 10 0 DDAERO C[N@H+](C[C@H](O)COCc1ccc(Cl)cc1)CC1(CO)CC1 ZINC000190041509 408155058 /nfs/dbraw/zinc/15/50/58/408155058.db2.gz IJEOQWBQNHPLOT-HNNXBMFYSA-N 1 0 313.825 1.922 10 0 DDAERO CC(C)C[C@H](C)OCCC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246201414 408176022 /nfs/dbraw/zinc/17/60/22/408176022.db2.gz RAQODWJNCDKXOQ-PMPSAXMXSA-N 1 0 314.470 1.741 10 0 DDAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C(=O)NC)C(C)C ZINC000246238771 408188454 /nfs/dbraw/zinc/18/84/54/408188454.db2.gz SRNZGACQNJBBIF-UONOGXRCSA-N 1 0 312.458 1.321 10 0 DDAERO CCn1cc(CN2CCCN(C(=O)[C@@H]3C[C@@H]3C3CC3)CC2)cn1 ZINC000176011426 408266530 /nfs/dbraw/zinc/26/65/30/408266530.db2.gz MXKFBNXUZODHCL-IAGOWNOFSA-N 1 0 316.449 1.983 10 0 DDAERO Cc1cc(F)c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)cc1F ZINC000122150246 408256903 /nfs/dbraw/zinc/25/69/03/408256903.db2.gz XFBFCSMBMOXEBO-SNVBAGLBSA-N 1 0 304.362 1.598 10 0 DDAERO Cc1ccc(F)c(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000246469852 408262227 /nfs/dbraw/zinc/26/22/27/408262227.db2.gz QAEMUUQYNCMTCM-IUODEOHRSA-N 1 0 321.396 1.918 10 0 DDAERO C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)N1CCOCC1 ZINC000155717062 408199302 /nfs/dbraw/zinc/19/93/02/408199302.db2.gz TVXZXHQGIIREPF-CQSZACIVSA-N 1 0 305.422 1.199 10 0 DDAERO COc1ncc(Cl)c(N2CCC(OCCC[NH3+])CC2)n1 ZINC000125991346 161891265 /nfs/dbraw/zinc/89/12/65/161891265.db2.gz FMZJMXFIIKBZSS-UHFFFAOYSA-N 1 0 300.790 1.473 10 0 DDAERO CC[C@@H]1CN([C@@H](C(=O)OC)c2cccnc2)CC[N@@H+]1CCOC ZINC000246305844 408212250 /nfs/dbraw/zinc/21/22/50/408212250.db2.gz AVKGCEKENVNIAA-HZPDHXFCSA-N 1 0 321.421 1.338 10 0 DDAERO COCC[N@H+](C)CCNC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000182654080 408214707 /nfs/dbraw/zinc/21/47/07/408214707.db2.gz CORBWMUUACEPEP-AWEZNQCLSA-N 1 0 309.414 1.225 10 0 DDAERO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1N1CCOCC1 ZINC000246309512 408217011 /nfs/dbraw/zinc/21/70/11/408217011.db2.gz CJQQFSOVJAOEKT-XYPHTWIQSA-N 1 0 308.397 1.512 10 0 DDAERO Cc1cc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)ccc1C(N)=O ZINC000246356828 408230498 /nfs/dbraw/zinc/23/04/98/408230498.db2.gz IFDWGRXVKIBFDL-DOMZBBRYSA-N 1 0 318.421 1.944 10 0 DDAERO CCc1oc(C(=O)OC)cc1CN1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000246510456 408277837 /nfs/dbraw/zinc/27/78/37/408277837.db2.gz ZYLUVNWSHQAUEZ-ZDUSSCGKSA-N 1 0 324.421 1.781 10 0 DDAERO COc1cccc(/C(C)=C/C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000176093521 408284890 /nfs/dbraw/zinc/28/48/90/408284890.db2.gz FGEOXFGGOWUMOU-IDKBZEPQSA-N 1 0 318.417 1.888 10 0 DDAERO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c(F)c1 ZINC000246567126 408293327 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O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(Cl)c2cccnc12 ZINC000262368149 163815561 /nfs/dbraw/zinc/81/55/61/163815561.db2.gz VUULJFXYWVDERI-RNCFNFMXSA-N 1 0 305.765 1.198 10 0 DDAERO C[C@@H]1CCN(CC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C[NH3+])C1 ZINC000262547786 163847188 /nfs/dbraw/zinc/84/71/88/163847188.db2.gz RYLUUNJZIDKMOF-DGCLKSJQSA-N 1 0 305.378 1.413 10 0 DDAERO COc1cc(Br)ccc1CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000263285456 163944416 /nfs/dbraw/zinc/94/44/16/163944416.db2.gz UYLJNJTWZVFYQR-JQWIXIFHSA-N 1 0 315.211 1.128 10 0 DDAERO OCCOC1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000309623267 164004085 /nfs/dbraw/zinc/00/40/85/164004085.db2.gz GPTIOMGYQWEJKD-INIZCTEOSA-N 1 0 309.406 1.037 10 0 DDAERO [NH3+][C@@H](CN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)OCCO2 ZINC000306497617 409772661 /nfs/dbraw/zinc/77/26/61/409772661.db2.gz BUEOGLCMLDWGKU-AWEZNQCLSA-N 1 0 324.336 1.754 10 0 DDAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccc(O)c1Br ZINC000315452977 409843998 /nfs/dbraw/zinc/84/39/98/409843998.db2.gz QYUNXZFOGLREET-PSASIEDQSA-N 1 0 313.195 1.911 10 0 DDAERO COCCn1cc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cn1 ZINC000130785891 196110487 /nfs/dbraw/zinc/11/04/87/196110487.db2.gz PFGPCWRMTDXIPP-JSGCOSHPSA-N 1 0 309.414 1.380 10 0 DDAERO O=S(=O)(NC[C@@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000131865181 196205482 /nfs/dbraw/zinc/20/54/82/196205482.db2.gz AOBMAQIARFGLMR-SECBINFHSA-N 1 0 308.325 1.593 10 0 DDAERO Cn1cc(C(=O)N2CC[C@@H]([NH3+])C2)c(-c2ccc(F)cc2F)n1 ZINC000132251126 196238499 /nfs/dbraw/zinc/23/84/99/196238499.db2.gz QIPYDTOGTQEGRO-SNVBAGLBSA-N 1 0 306.316 1.539 10 0 DDAERO [NH3+]CCC[C@H](NC(=O)N1C[C@@H](F)C[C@@H]1CO)c1ccccc1 ZINC000418653140 225849781 /nfs/dbraw/zinc/84/97/81/225849781.db2.gz ADSVTGUGAJOYRT-ZNMIVQPWSA-N 1 0 309.385 1.581 10 0 DDAERO Cc1sc2ncnc(NCC(=O)N3CC[NH2+]CC3)c2c1C ZINC000037716306 418414935 /nfs/dbraw/zinc/41/49/35/418414935.db2.gz BHFVTVAPRULAFS-UHFFFAOYSA-N 1 0 305.407 1.152 10 0 DDAERO CS(=O)(=O)Nc1ccc(NC(=O)C2CCC([NH3+])CC2)cc1 ZINC000037629492 418415412 /nfs/dbraw/zinc/41/54/12/418415412.db2.gz BWVHOVRXQVRAFA-UHFFFAOYSA-N 1 0 311.407 1.514 10 0 DDAERO COc1ccc(Br)cc1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000380597319 418728047 /nfs/dbraw/zinc/72/80/47/418728047.db2.gz GAEFNWZLSQLNPL-GZMMTYOYSA-N 1 0 313.195 1.877 10 0 DDAERO NC(=O)[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1C(F)(F)F ZINC000299744604 229383772 /nfs/dbraw/zinc/38/37/72/229383772.db2.gz PIYYMSYVBFKLRO-VXGBXAGGSA-N 1 0 302.296 1.275 10 0 DDAERO C[C@H]1CN(C(=O)c2nscc2Br)C[C@H]1C[NH3+] ZINC000630089291 421883116 /nfs/dbraw/zinc/88/31/16/421883116.db2.gz FHONDPYVUBAECF-NKWVEPMBSA-N 1 0 304.213 1.572 10 0 DDAERO [NH3+]C[C@@H]1CN(c2cn[nH]c(=O)c2Cl)CC[C@@H]1C(F)(F)F ZINC000630528567 422157854 /nfs/dbraw/zinc/15/78/54/422157854.db2.gz KPRLLPVHUBKBJD-RQJHMYQMSA-N 1 0 310.707 1.799 10 0 DDAERO O[C@@]1(c2cn[nH]n2)CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000583617365 422201070 /nfs/dbraw/zinc/20/10/70/422201070.db2.gz BFXXJNXIPOCACY-INIZCTEOSA-N 1 0 316.361 1.060 10 0 DDAERO CSC[C@@H](C)NC(=O)N1CCO[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000583621976 422208622 /nfs/dbraw/zinc/20/86/22/422208622.db2.gz NSXBBCFCCCSQPA-OCCSQVGLSA-N 1 0 315.483 1.490 10 0 DDAERO CCCCOC[C@H](O)C[NH2+]Cc1c(Br)cnn1C ZINC000634725989 422593875 /nfs/dbraw/zinc/59/38/75/422593875.db2.gz ISLXVDJMLXNVFC-SNVBAGLBSA-N 1 0 320.231 1.450 10 0 DDAERO CCC[C@@H](C(=O)NCc1ccc(-n2ccnc2C)nc1)[NH+](C)C ZINC000161692502 263344908 /nfs/dbraw/zinc/34/49/08/263344908.db2.gz PQLWPTUOXCXSFK-HNNXBMFYSA-N 1 0 315.421 1.922 10 0 DDAERO O=C(NCc1cc(Br)cs1)[C@@H]1C[NH2+]CCOC1 ZINC000643643310 423239554 /nfs/dbraw/zinc/23/95/54/423239554.db2.gz CGPTUXUCMDERQN-MRVPVSSYSA-N 1 0 319.224 1.363 10 0 DDAERO COCCC1(C(=O)N2CCSC(C)(C)C2)CC[NH2+]CC1 ZINC000643706330 423277199 /nfs/dbraw/zinc/27/71/99/423277199.db2.gz SZKDLRFFVKNFNH-UHFFFAOYSA-N 1 0 300.468 1.747 10 0 DDAERO CCn1ccnc1[C@@H]1OCC[C@H]1C[NH2+][C@H](C)Cc1cnccn1 ZINC000658194329 424609921 /nfs/dbraw/zinc/60/99/21/424609921.db2.gz IZUKBEGVKVUEFV-IJEWVQPXSA-N 1 0 315.421 1.991 10 0 DDAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCC[C@H](c3nnc[nH]3)C2)C1 ZINC000341610339 271138641 /nfs/dbraw/zinc/13/86/41/271138641.db2.gz JVBOTSLVPNOMDD-RWMBFGLXSA-N 1 0 306.414 1.176 10 0 DDAERO COc1nc(N2CC[C@@H](C)[C@@H](C[NH3+])C2)ncc1Br ZINC000235025920 274168206 /nfs/dbraw/zinc/16/82/06/274168206.db2.gz FVRSQDKPJDJTGF-BDAKNGLRSA-N 1 0 315.215 1.669 10 0 DDAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)Nc1cc(F)ccc1F ZINC000105932574 274249388 /nfs/dbraw/zinc/24/93/88/274249388.db2.gz DZEGMBPWZGOFNN-ZYHUDNBSSA-N 1 0 313.348 1.212 10 0 DDAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)CCn1cccn1)CC2 ZINC000183932569 275776654 /nfs/dbraw/zinc/77/66/54/275776654.db2.gz CDNKRUURXCCXFV-KBPBESRZSA-N 1 0 302.426 1.981 10 0 DDAERO CCc1cccc2c1OCC[C@H]2NC(=O)C1([NH3+])CCOCC1 ZINC000261758417 276694193 /nfs/dbraw/zinc/69/41/93/276694193.db2.gz FTQFLOQPQAJGPI-CQSZACIVSA-N 1 0 304.390 1.697 10 0 DDAERO C[NH+](C)CC(=O)N1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000121944752 276777168 /nfs/dbraw/zinc/77/71/68/276777168.db2.gz MUPGBKKASSMMAA-AVGNSLFASA-N 1 0 311.426 1.310 10 0 DDAERO CC(C)(C)OC(=O)N1CCC(n2c(=O)[nH]c3c2CC[NH2+]C3)CC1 ZINC000299805160 277181559 /nfs/dbraw/zinc/18/15/59/277181559.db2.gz AMXXLSLZOKBHBQ-UHFFFAOYSA-N 1 0 322.409 1.394 10 0 DDAERO C[C@H]1CCN(c2cnn(C)c(=O)c2Br)[C@H](C[NH3+])C1 ZINC000261548725 278370592 /nfs/dbraw/zinc/37/05/92/278370592.db2.gz CKHBMYJESJJMJG-IUCAKERBSA-N 1 0 315.215 1.106 10 0 DDAERO CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC000058040888 278387491 /nfs/dbraw/zinc/38/74/91/278387491.db2.gz PULIROZVDBWQRU-ZDUSSCGKSA-N 1 0 311.426 1.726 10 0 DDAERO C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195325920 279065874 /nfs/dbraw/zinc/06/58/74/279065874.db2.gz CXGZGSHETGHPCE-WOSRLPQWSA-N 1 0 302.374 1.522 10 0 DDAERO C[C@H](C(=O)N1CCN(Cc2ccccc2)C[C@@H]1C)C1C[NH2+]C1 ZINC000262362574 279198372 /nfs/dbraw/zinc/19/83/72/279198372.db2.gz KQANWJYRVRNKQJ-GJZGRUSLSA-N 1 0 301.434 1.575 10 0 DDAERO [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)O1 ZINC000261611523 279655913 /nfs/dbraw/zinc/65/59/13/279655913.db2.gz BJFHVVXWZJTVPG-YVSFHVDLSA-N 1 0 318.417 1.777 10 0 DDAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc2c1O[C@@H](C)C(=O)N2 ZINC000248843786 280049058 /nfs/dbraw/zinc/04/90/58/280049058.db2.gz HCTAWDUIVHCNPU-JFGNBEQYSA-N 1 0 303.362 1.276 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000124275846 281188207 /nfs/dbraw/zinc/18/82/07/281188207.db2.gz YZVNLBBHRCWQMU-HUUCEWRRSA-N 1 0 324.469 1.404 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(C)noc1C ZINC000173726070 281194850 /nfs/dbraw/zinc/19/48/50/281194850.db2.gz CAKGCMGEXPUXJQ-QWHCGFSZSA-N 1 0 313.423 1.539 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCCNC(=O)C(F)(F)F ZINC000245941234 281199080 /nfs/dbraw/zinc/19/90/80/281199080.db2.gz AVMHXGUJOWVKQY-RYUDHWBXSA-N 1 0 307.360 1.614 10 0 DDAERO CC(C)(C)OC[C@H](O)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000247038002 282030703 /nfs/dbraw/zinc/03/07/03/282030703.db2.gz MTCQECXJGKLFLM-CHWSQXEVSA-N 1 0 301.427 1.826 10 0 DDAERO COC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000247091696 282034276 /nfs/dbraw/zinc/03/42/76/282034276.db2.gz PVOFOOGPZDWXCP-HZSPNIEDSA-N 1 0 311.426 1.454 10 0 DDAERO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)NC(=O)C2CCCC2)C1 ZINC000247304307 282043959 /nfs/dbraw/zinc/04/39/59/282043959.db2.gz LNVBZTSXLUOKHL-IIAWOOMASA-N 1 0 323.481 1.916 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC(=O)Nc2cccnc2)C1 ZINC000247349733 282047685 /nfs/dbraw/zinc/04/76/85/282047685.db2.gz NXVORWOFHUOADS-TZMCWYRMSA-N 1 0 319.409 1.048 10 0 DDAERO C[NH+](C)CCNC(=O)[C@]1(C)CCCCN1C(=O)OC(C)(C)C ZINC000119107854 289163794 /nfs/dbraw/zinc/16/37/94/289163794.db2.gz DFPNQEBCKILJSK-INIZCTEOSA-N 1 0 313.442 1.844 10 0 DDAERO C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249403012 290240700 /nfs/dbraw/zinc/24/07/00/290240700.db2.gz VQKOJBALTFCATC-HIFRSBDPSA-N 1 0 308.447 1.931 10 0 DDAERO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170868443 298222798 /nfs/dbraw/zinc/22/27/98/298222798.db2.gz OYMGAALMKVZMTD-STQMWFEESA-N 1 0 313.442 1.698 10 0 DDAERO CCOc1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)c(C)c1 ZINC000170873523 298223871 /nfs/dbraw/zinc/22/38/71/298223871.db2.gz ACZQUSWNISCVOP-CYBMUJFWSA-N 1 0 312.435 1.718 10 0 DDAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)OCC(F)(F)F)CC1 ZINC000171843660 298237018 /nfs/dbraw/zinc/23/70/18/298237018.db2.gz UXKVWZCPDMGONX-JTQLQIEISA-N 1 0 312.332 1.710 10 0 DDAERO CC(=O)NCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400321630 302368666 /nfs/dbraw/zinc/36/86/66/302368666.db2.gz BGBNHCHRPPPHBZ-OCCSQVGLSA-N 1 0 313.442 1.748 10 0 DDAERO [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000123937059 303425010 /nfs/dbraw/zinc/42/50/10/303425010.db2.gz DZKCJOWOQMODTC-KCJUWKMLSA-N 1 0 306.790 1.885 10 0 DDAERO CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@@H](SC)C2)CC1 ZINC000394815173 307295713 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353999096 /nfs/dbraw/zinc/99/90/96/353999096.db2.gz XDOORWBLIFRDLH-UHFFFAOYSA-N 1 0 319.386 1.810 10 0 DDAERO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000119972429 354007998 /nfs/dbraw/zinc/00/79/98/354007998.db2.gz IEJNIBGALFVBIK-CHWSQXEVSA-N 1 0 307.394 1.341 10 0 DDAERO C[C@]1(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000121173392 354016692 /nfs/dbraw/zinc/01/66/92/354016692.db2.gz PGFPFEWZVQBAER-SJLPKXTDSA-N 1 0 317.433 1.146 10 0 DDAERO COc1ccc(NC(=O)C(C)(C)N2CC[NH2+]CC2)cc1Cl ZINC000129574370 354083249 /nfs/dbraw/zinc/08/32/49/354083249.db2.gz LEHXKAXFFQOMQL-UHFFFAOYSA-N 1 0 311.813 1.971 10 0 DDAERO C[C@@H]1C[C@H](C[NH3+])CN1c1ncc(I)cn1 ZINC000126288294 354052958 /nfs/dbraw/zinc/05/29/58/354052958.db2.gz SARRYGPBWYCLRQ-HTQZYQBOSA-N 1 0 318.162 1.255 10 0 DDAERO CCCCNC(=O)C1(NC(=O)[C@H]2CC[C@H]([NH3+])C2)CCCCC1 ZINC000236778205 202004318 /nfs/dbraw/zinc/00/43/18/202004318.db2.gz STQCMFIMDMWYDE-KBPBESRZSA-N 1 0 309.454 1.849 10 0 DDAERO COC1CCC([NH2+][C@@H]2CCCN(c3ncc[nH]c3=O)C2)CC1 ZINC000328651110 354559079 /nfs/dbraw/zinc/55/90/79/354559079.db2.gz VVZDYIHERPDKKZ-ROKHWSDSSA-N 1 0 306.410 1.698 10 0 DDAERO CCc1nnc2n1CCN(C1C[NH+](CCc3cccs3)C1)C2 ZINC000328647624 354559406 /nfs/dbraw/zinc/55/94/06/354559406.db2.gz UCYRQQSGHJIRDW-UHFFFAOYSA-N 1 0 317.462 1.645 10 0 DDAERO O=c1cc(CN[C@@H]2CCC[NH2+]C2)nc(-c2ccc(Cl)cc2)[nH]1 ZINC000073696230 191342308 /nfs/dbraw/zinc/34/23/08/191342308.db2.gz LAFQHIKMBJWGIL-CYBMUJFWSA-N 1 0 318.808 1.932 10 0 DDAERO [NH3+]CCOCCn1c(=O)ccc2cc(Br)ccc21 ZINC000075282568 191456157 /nfs/dbraw/zinc/45/61/57/191456157.db2.gz JQYZPVGAKQDUBI-UHFFFAOYSA-N 1 0 311.179 1.739 10 0 DDAERO CCC[NH2+][C@@H](CO)CSc1ccc(S(C)(=O)=O)cc1 ZINC000085290266 192487124 /nfs/dbraw/zinc/48/71/24/192487124.db2.gz TWEOXIKMZDAWIE-NSHDSACASA-N 1 0 303.449 1.543 10 0 DDAERO CCC[C@@H](COC)NS(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000079744993 191968395 /nfs/dbraw/zinc/96/83/95/191968395.db2.gz KUVDVEHDXTUVGG-NSHDSACASA-N 1 0 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O=S(=O)(Nc1ccc(-c2nccs2)cc1)N1CC[NH2+]CC1 ZINC000040861513 183144057 /nfs/dbraw/zinc/14/40/57/183144057.db2.gz RLNOVMYLPBZOOL-UHFFFAOYSA-N 1 0 324.431 1.372 10 0 DDAERO CC[C@H]([NH2+]C)c1cccc(S(=O)(=O)NCCC(=O)OC)c1 ZINC000041041308 183159212 /nfs/dbraw/zinc/15/92/12/183159212.db2.gz BXAUQUHZWSUTBN-ZDUSSCGKSA-N 1 0 314.407 1.199 10 0 DDAERO C[NH+](C)CCCNC(=O)CCCc1ccc2c(c1)OCCO2 ZINC000041232160 183180184 /nfs/dbraw/zinc/18/01/84/183180184.db2.gz NXARYLDYUBROGD-UHFFFAOYSA-N 1 0 306.406 1.848 10 0 DDAERO OC[C@@H](c1ccc(Br)s1)N1CCC[NH2+]CC1 ZINC000041703030 183218233 /nfs/dbraw/zinc/21/82/33/183218233.db2.gz XVRWPDMCWFDDDD-VIFPVBQESA-N 1 0 305.241 1.839 10 0 DDAERO CCOC(=O)CCNS(=O)(=O)c1cccc([C@@H]([NH3+])CC)c1 ZINC000041681736 183216211 /nfs/dbraw/zinc/21/62/11/183216211.db2.gz DWDUWLNPKICIDJ-ZDUSSCGKSA-N 1 0 314.407 1.328 10 0 DDAERO COC(=O)CC[NH2+]CCOc1cccc(Br)c1 ZINC000042224060 183243270 /nfs/dbraw/zinc/24/32/70/183243270.db2.gz WIYPMUMYRDHBPH-UHFFFAOYSA-N 1 0 302.168 1.981 10 0 DDAERO C[C@@H]([NH2+]Cc1ccc(Br)cc1)C(=O)NC(N)=O ZINC000042240112 183245722 /nfs/dbraw/zinc/24/57/22/183245722.db2.gz RIXSPYANXVEOSO-SSDOTTSWSA-N 1 0 300.156 1.122 10 0 DDAERO C[NH2+]CCN1C(=O)C(=O)c2cc(Br)c(F)cc21 ZINC000042410630 183265061 /nfs/dbraw/zinc/26/50/61/183265061.db2.gz GQARJGNWYWNMIZ-UHFFFAOYSA-N 1 0 301.115 1.337 10 0 DDAERO [NH3+]Cc1cccc(Br)c1O[C@H]1CCS(=O)(=O)C1 ZINC000042411422 183265098 /nfs/dbraw/zinc/26/50/98/183265098.db2.gz UJTLGTPRUNSTFB-VIFPVBQESA-N 1 0 320.208 1.474 10 0 DDAERO CNC(=O)[C@H](C)Oc1c(Br)cccc1C[NH2+]C ZINC000042411508 183265110 /nfs/dbraw/zinc/26/51/10/183265110.db2.gz PIEQOEHCVWCGRB-QMMMGPOBSA-N 1 0 301.184 1.682 10 0 DDAERO COC[C@@H](O)C[N@H+](C)CCC(=O)Nc1ccc(N)cc1Cl ZINC000042483184 183275727 /nfs/dbraw/zinc/27/57/27/183275727.db2.gz HQIHNCHBXFSIQK-NSHDSACASA-N 1 0 315.801 1.190 10 0 DDAERO CCN(CC(F)(F)F)S(=O)(=O)c1ccc(C[NH3+])s1 ZINC000042782339 183308269 /nfs/dbraw/zinc/30/82/69/183308269.db2.gz HTDTYTQTLVKYAK-UHFFFAOYSA-N 1 0 302.343 1.780 10 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CC[C@H]1CN(Cc2nc(CCC(C)C)no2)CC[N@@H+]1C[C@@H](C)O ZINC000105827771 194138778 /nfs/dbraw/zinc/13/87/78/194138778.db2.gz YVCOTOGEDKLOEG-CABCVRRESA-N 1 0 324.469 1.935 10 0 DDAERO CC(C)[N@H+](C)CC(=O)N1CCC(N(C)c2cccnn2)CC1 ZINC000105816580 194136024 /nfs/dbraw/zinc/13/60/24/194136024.db2.gz HXFAIBFIMYRTSU-UHFFFAOYSA-N 1 0 305.426 1.244 10 0 DDAERO CCOCC[N@@H+]1CCN(CC(=O)N2CCCCC2)C[C@H]1CC ZINC000105837797 194144756 /nfs/dbraw/zinc/14/47/56/194144756.db2.gz PGEZHQWKIYLEON-MRXNPFEDSA-N 1 0 311.470 1.432 10 0 DDAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)C(=O)NCc1ccc(F)cc1 ZINC000105871440 194150981 /nfs/dbraw/zinc/15/09/81/194150981.db2.gz BGTWBYJALCZRGD-BXUZGUMPSA-N 1 0 317.368 1.027 10 0 DDAERO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000105882981 194155242 /nfs/dbraw/zinc/15/52/42/194155242.db2.gz MTRXDLFGHGQPNS-OAHLLOKOSA-N 1 0 313.405 1.937 10 0 DDAERO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000105897983 194161548 /nfs/dbraw/zinc/16/15/48/194161548.db2.gz UPKPDLDLNXHTIB-HNNXBMFYSA-N 1 0 300.362 1.902 10 0 DDAERO O[C@@H](COCc1ccco1)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000105904256 194166345 /nfs/dbraw/zinc/16/63/45/194166345.db2.gz KLCYMANPLJLLLW-UONOGXRCSA-N 1 0 306.366 1.086 10 0 DDAERO C[C@@H](C(=O)Nc1cccc(F)c1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105924726 194170462 /nfs/dbraw/zinc/17/04/62/194170462.db2.gz KHIOEKYQDKHWRF-SWLSCSKDSA-N 1 0 309.385 1.415 10 0 DDAERO Cc1ccc(NC(=O)[C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)c(C)c1 ZINC000105932728 194173485 /nfs/dbraw/zinc/17/34/85/194173485.db2.gz BVANXKADGWRJJC-LSDHHAIUSA-N 1 0 305.422 1.551 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2ccc(C(=O)OC)o2)C[C@H]1CC ZINC000106119230 194188058 /nfs/dbraw/zinc/18/80/58/194188058.db2.gz MPWXZVMVSMXUOD-CQSZACIVSA-N 1 0 324.421 1.999 10 0 DDAERO CC(C)(C)N1CCN(S(=O)(=O)CCC2CC[NH2+]CC2)CC1 ZINC000048946249 183698128 /nfs/dbraw/zinc/69/81/28/183698128.db2.gz IPBSMHSAZQULSA-UHFFFAOYSA-N 1 0 317.499 1.122 10 0 DDAERO CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000049097236 183712968 /nfs/dbraw/zinc/71/29/68/183712968.db2.gz RDLJDEGRAWAGCU-RKDXNWHRSA-N 1 0 321.204 1.457 10 0 DDAERO [NH3+]CCCN(CC(=O)NCC(F)(F)F)c1cccc(F)c1 ZINC000049309656 183724851 /nfs/dbraw/zinc/72/48/51/183724851.db2.gz WKKZXVVWNFIWOA-UHFFFAOYSA-N 1 0 307.291 1.659 10 0 DDAERO Cc1c(N)cc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)cc1Cl ZINC000049554760 183741056 /nfs/dbraw/zinc/74/10/56/183741056.db2.gz RSLPBQYURDEXDZ-SECBINFHSA-N 1 0 319.858 1.849 10 0 DDAERO C[NH2+]CCS(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000049630287 183749183 /nfs/dbraw/zinc/74/91/83/183749183.db2.gz LJBSVWISUHWYOQ-UHFFFAOYSA-N 1 0 300.277 1.806 10 0 DDAERO COc1ccc(NS(=O)(=O)C2CC[NH2+]CC2)cc1OC ZINC000049640935 183750772 /nfs/dbraw/zinc/75/07/72/183750772.db2.gz JQYXIDCIHUIKST-UHFFFAOYSA-N 1 0 300.380 1.198 10 0 DDAERO CC[NH+]1CCC(N(C)S(=O)(=O)Cc2ccccc2N)CC1 ZINC000050102386 183772763 /nfs/dbraw/zinc/77/27/63/183772763.db2.gz OHECWDSTGCCUMQ-UHFFFAOYSA-N 1 0 311.451 1.515 10 0 DDAERO C[C@@H]1CCC[C@@](C[NH3+])(N(C)S(=O)(=O)N2CCCCCC2)C1 ZINC000050092911 183772502 /nfs/dbraw/zinc/77/25/02/183772502.db2.gz LUEZBXQMRLOZLA-HUUCEWRRSA-N 1 0 317.499 1.947 10 0 DDAERO CC[C@@H]([NH3+])c1cccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2OC)c1 ZINC000050375959 183783824 /nfs/dbraw/zinc/78/38/24/183783824.db2.gz WDTNDWQDKORYDZ-KFWWJZLASA-N 1 0 312.435 1.942 10 0 DDAERO CCC[NH2+][C@H]1CCCC[C@H]1c1nc(CS(C)(=O)=O)no1 ZINC000109512650 194270074 /nfs/dbraw/zinc/27/00/74/194270074.db2.gz DCABARLAXCAYDC-MNOVXSKESA-N 1 0 301.412 1.640 10 0 DDAERO Cc1cc(OCC[NH2+][C@H]2CCS(=O)(=O)C2)ccc1Cl ZINC000053559556 183906083 /nfs/dbraw/zinc/90/60/83/183906083.db2.gz QILHDJTUNGROCN-NSHDSACASA-N 1 0 303.811 1.804 10 0 DDAERO O=S(=O)(NC1CC1)c1ccc(NCC[C@H]2CC[NH2+]C2)cc1 ZINC000110798290 194359964 /nfs/dbraw/zinc/35/99/64/194359964.db2.gz NPROCINUACMUPQ-GFCCVEGCSA-N 1 0 309.435 1.539 10 0 DDAERO COc1cccc(N(CCC[NH3+])S(=O)(=O)C(C)(C)C)c1 ZINC000111071250 194388503 /nfs/dbraw/zinc/38/85/03/194388503.db2.gz LRPKBZQIUNUMHL-UHFFFAOYSA-N 1 0 300.424 1.979 10 0 DDAERO CN(CCC[NH+](C)C)CC(=O)Nc1cccc(C(N)=S)c1 ZINC000111137508 194394706 /nfs/dbraw/zinc/39/47/06/194394706.db2.gz NCLOKVLYVJQFKS-UHFFFAOYSA-N 1 0 308.451 1.143 10 0 DDAERO CCC[NH2+][C@@](C)(CCC[N@H+](C)CC1CCOCC1)C(=O)[O-] ZINC000111170589 194398386 /nfs/dbraw/zinc/39/83/86/194398386.db2.gz WIIITBUAONVULW-INIZCTEOSA-N 1 0 300.443 1.968 10 0 DDAERO CC[NH2+]C(C)(C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000061298850 184167745 /nfs/dbraw/zinc/16/77/45/184167745.db2.gz MKWCGPYUZYTIEA-NSHDSACASA-N 1 0 312.435 1.655 10 0 DDAERO COCC[N@H+](C)CCN[C@@H](c1cccs1)c1nccn1C ZINC000061376684 184169724 /nfs/dbraw/zinc/16/97/24/184169724.db2.gz IKMJVIHCPVBCSP-AWEZNQCLSA-N 1 0 308.451 1.739 10 0 DDAERO CCC[NH2+][C@@](C)(CCSc1nnc2ccccn21)C(N)=O ZINC000061408502 184169991 /nfs/dbraw/zinc/16/99/91/184169991.db2.gz JRZJSHNJFKYQTA-AWEZNQCLSA-N 1 0 307.423 1.455 10 0 DDAERO C[NH+](C)C[C@H]1CCCN1CCOc1ccc(C(N)=S)cc1 ZINC000061644327 184180555 /nfs/dbraw/zinc/18/05/55/184180555.db2.gz OWADHRHGVNZKKA-CQSZACIVSA-N 1 0 307.463 1.726 10 0 DDAERO NC(=S)c1ccccc1NC(=O)CCC[N@@H+]1CC[C@H](O)C1 ZINC000061710439 184184914 /nfs/dbraw/zinc/18/49/14/184184914.db2.gz ZQKSXLXSAQJPGA-NSHDSACASA-N 1 0 307.419 1.106 10 0 DDAERO [NH3+]Cc1cnnn1-c1ccc(I)cc1 ZINC000062240094 184224683 /nfs/dbraw/zinc/22/46/83/184224683.db2.gz KQGPHSYHTMGIQN-UHFFFAOYSA-N 1 0 300.103 1.331 10 0 DDAERO CCCN[C@@H](CC[NH+]1CCC(OCC)CC1)C(=O)OCC ZINC000062453322 184236782 /nfs/dbraw/zinc/23/67/82/184236782.db2.gz NXIDAJWRCGSLMO-HNNXBMFYSA-N 1 0 300.443 1.809 10 0 DDAERO CCOC(=O)[C@H](CC[N@H+](C)C[C@@H]1CCCCO1)NC(C)C ZINC000062457181 184237288 /nfs/dbraw/zinc/23/72/88/184237288.db2.gz LQPMZBWEBCECNP-GJZGRUSLSA-N 1 0 300.443 1.807 10 0 DDAERO CCCNC(=O)COc1ccc(Cl)cc1C[NH2+]CCOC ZINC000062731010 184251312 /nfs/dbraw/zinc/25/13/12/184251312.db2.gz KIXKJHPQLYHALW-UHFFFAOYSA-N 1 0 314.813 1.981 10 0 DDAERO CNC(=O)COc1c(Cl)cc(Cl)cc1C[NH2+]CCOC ZINC000062733000 184251463 /nfs/dbraw/zinc/25/14/63/184251463.db2.gz SIEBYCZZIAMSIC-UHFFFAOYSA-N 1 0 321.204 1.854 10 0 DDAERO CNC(=O)CCOc1ccc(C[NH2+]CCOC)cc1Cl ZINC000062730554 184251586 /nfs/dbraw/zinc/25/15/86/184251586.db2.gz JKATYEFLFQZOPH-UHFFFAOYSA-N 1 0 300.786 1.591 10 0 DDAERO CCCC1(C(=O)N(CCOC)[C@@H](C)COC)CC[NH2+]CC1 ZINC000062850017 184256774 /nfs/dbraw/zinc/25/67/74/184256774.db2.gz NLPOYNCOSWFZIR-AWEZNQCLSA-N 1 0 300.443 1.666 10 0 DDAERO CCC[C@@]1(C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC[NH2+]C1 ZINC000062891861 184258366 /nfs/dbraw/zinc/25/83/66/184258366.db2.gz YYOOTUGEJFUCDD-CQSZACIVSA-N 1 0 311.407 1.203 10 0 DDAERO CCC[C@@]1(C(=O)N2CCSC[C@@H]2C(=O)OCC)CC[NH2+]C1 ZINC000062894852 184258830 /nfs/dbraw/zinc/25/88/30/184258830.db2.gz QKHRVWRXIVRCEN-IUODEOHRSA-N 1 0 314.451 1.273 10 0 DDAERO Cc1cc(C)c(S(=O)(=O)NOCC[NH+]2CCCC2)c(C)c1 ZINC000062578384 184244464 /nfs/dbraw/zinc/24/44/64/184244464.db2.gz PNWZISVNOYGLER-UHFFFAOYSA-N 1 0 312.435 1.918 10 0 DDAERO C[C@H](C(=O)Nc1ccc(N)cc1Cl)N1CC[C@H]([NH+](C)C)C1 ZINC000062963766 184262787 /nfs/dbraw/zinc/26/27/87/184262787.db2.gz NAQFEVPKPXCXPA-PWSUYJOCSA-N 1 0 310.829 1.885 10 0 DDAERO CN(C)c1nc(Cl)nc(N2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC000062983403 184264066 /nfs/dbraw/zinc/26/40/66/184264066.db2.gz FHXVCRRDECTKDQ-NSHDSACASA-N 1 0 310.833 1.656 10 0 DDAERO CS(=O)(=O)CCCOc1ccc(Br)cc1C[NH3+] ZINC000063014286 184266444 /nfs/dbraw/zinc/26/64/44/184266444.db2.gz VXSXGAHHZQZQON-UHFFFAOYSA-N 1 0 322.224 1.721 10 0 DDAERO CCOc1ccc(S(=O)(=O)NCC[C@@H](C)[NH3+])cc1OCC ZINC000063171028 184276224 /nfs/dbraw/zinc/27/62/24/184276224.db2.gz SOWDCYJPNBSNQD-LLVKDONJSA-N 1 0 316.423 1.500 10 0 DDAERO CC1(C)CNC(=O)c2[nH]c([C@H](O)C[NH+]3CCCCCC3)nc2C1 ZINC000065463527 184349570 /nfs/dbraw/zinc/34/95/70/184349570.db2.gz PFZFDQMJQXSYQO-CYBMUJFWSA-N 1 0 320.437 1.631 10 0 DDAERO COCCOc1ccccc1CN1CCN(CCC[NH3+])CC1 ZINC000066143156 184393176 /nfs/dbraw/zinc/39/31/76/184393176.db2.gz CBIIAESFVGWRRY-UHFFFAOYSA-N 1 0 307.438 1.178 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)CCC(=O)c2ccccc2)CCO1 ZINC000116796301 194771208 /nfs/dbraw/zinc/77/12/08/194771208.db2.gz ILZJPUAFXYEOJK-OAHLLOKOSA-N 1 0 304.390 1.439 10 0 DDAERO C[NH+](C)C[C@@H]1OC[C@H]2CN(C(=O)Cc3cccs3)CC[C@@H]12 ZINC000248026318 257111956 /nfs/dbraw/zinc/11/19/56/257111956.db2.gz SJOOUZXEOMTWLJ-YUELXQCFSA-N 1 0 308.447 1.716 10 0 DDAERO Cc1csc(NC(=O)[C@@H]2C[C@@H]3[C@@H](CC[N@@H+]3[C@H]3CCOC3)O2)n1 ZINC000247947705 257114288 /nfs/dbraw/zinc/11/42/88/257114288.db2.gz IQUDXOMADKESGL-LOWDOPEQSA-N 1 0 323.418 1.411 10 0 DDAERO O=C([C@@H]1C[C@H]2CC[N@H+](CC3CCOCC3)C[C@@H]2O1)N1CCCO1 ZINC000247759192 257118034 /nfs/dbraw/zinc/11/80/34/257118034.db2.gz GIQRNOJSEHGOQU-PMPSAXMXSA-N 1 0 324.421 1.056 10 0 DDAERO COCCn1cc2c(n1)[C@@H](C[NH2+]Cc1ccc(C)o1)OCC2 ZINC000096086884 257135607 /nfs/dbraw/zinc/13/56/07/257135607.db2.gz CBJGBYMJESZMBZ-OAHLLOKOSA-N 1 0 305.378 1.835 10 0 DDAERO COCCN1CCO[C@H]2CCN(Cc3cccc(OC)n3)C[C@H]21 ZINC000503719555 257208201 /nfs/dbraw/zinc/20/82/01/257208201.db2.gz NKWUPGOZEPTOKG-CVEARBPZSA-N 1 0 321.421 1.012 10 0 DDAERO COc1cccc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000121813314 195353314 /nfs/dbraw/zinc/35/33/14/195353314.db2.gz RFHBFGWMAGISTQ-CQSZACIVSA-N 1 0 321.421 1.726 10 0 DDAERO CC[C@@H](C(=O)N1CCCN(Cc2cnn(CC)c2)CC1)[NH+](C)C ZINC000164283999 132133306 /nfs/dbraw/zinc/13/33/06/132133306.db2.gz PDUVNFISNMFUST-INIZCTEOSA-N 1 0 321.469 1.278 10 0 DDAERO CC(C)NS(=O)(=O)c1ccc(N2C[C@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000053712025 134770846 /nfs/dbraw/zinc/77/08/46/134770846.db2.gz VDDYNFWPXZYDTM-STQMWFEESA-N 1 0 311.451 1.560 10 0 DDAERO CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000170929426 407558031 /nfs/dbraw/zinc/55/80/31/407558031.db2.gz RDGFWJIBVOWSIP-HOTGVXAUSA-N 1 0 306.406 1.165 10 0 DDAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)N2CCOCC2)C12CCOCC2 ZINC000248980547 286390003 /nfs/dbraw/zinc/39/00/03/286390003.db2.gz IUHQMFVJTYTNMD-HRCADAONSA-N 1 0 312.454 1.271 10 0 DDAERO C[C@@H](Cc1nc2ccccc2s1)NC(=O)C1([NH3+])CCOCC1 ZINC000261649390 407569743 /nfs/dbraw/zinc/56/97/43/407569743.db2.gz AKOPTFPTIQOMKL-NSHDSACASA-N 1 0 319.430 1.851 10 0 DDAERO [NH3+][C@@H]1CCN(c2ncccc2-c2nc(-c3ccccn3)no2)C1 ZINC000070458024 406816704 /nfs/dbraw/zinc/81/67/04/406816704.db2.gz RNOPGVYRPVSILJ-LLVKDONJSA-N 1 0 308.345 1.731 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000072016003 406871944 /nfs/dbraw/zinc/87/19/44/406871944.db2.gz YAVWYSZUWRSSQN-GFCCVEGCSA-N 1 0 316.405 1.629 10 0 DDAERO Cc1nn(C[C@@H](C)C(=O)NCCC[NH+](C)C)c(C)c1Cl ZINC000035670832 406974493 /nfs/dbraw/zinc/97/44/93/406974493.db2.gz QGFCLULWKYATMC-SNVBAGLBSA-N 1 0 300.834 1.857 10 0 DDAERO CC[C@@H](O)C[N@H+](CCN1CCOCC1)Cc1ccc(OC)cc1 ZINC000036102073 406975720 /nfs/dbraw/zinc/97/57/20/406975720.db2.gz MMKZYSYCWVDAAO-QGZVFWFLSA-N 1 0 322.449 1.600 10 0 DDAERO CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000087138172 407118191 /nfs/dbraw/zinc/11/81/91/407118191.db2.gz NYOCQIKRLZXFDQ-AAEUAGOBSA-N 1 0 320.441 1.457 10 0 DDAERO C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCC[NH+]1CCCCC1 ZINC000046854911 407063923 /nfs/dbraw/zinc/06/39/23/407063923.db2.gz QCMCWDICTJRVBD-CQSZACIVSA-N 1 0 318.421 1.799 10 0 DDAERO O=S(=O)(NCC1CC[NH2+]CC1)c1nc2ccccc2s1 ZINC000095073361 407206247 /nfs/dbraw/zinc/20/62/47/407206247.db2.gz WOSYLMPDTSNLHE-UHFFFAOYSA-N 1 0 311.432 1.574 10 0 DDAERO COCC[N@H+](C)CCCNC(=O)N[C@H]1CCOc2ccccc21 ZINC000061140632 407226757 /nfs/dbraw/zinc/22/67/57/407226757.db2.gz SRJKJEGXELJHPA-HNNXBMFYSA-N 1 0 321.421 1.778 10 0 DDAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1csc(=O)[nH]1 ZINC000122881362 407313396 /nfs/dbraw/zinc/31/33/96/407313396.db2.gz AKTOONNISRUDJK-ZDUSSCGKSA-N 1 0 305.403 1.226 10 0 DDAERO COC[C@H](C)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000103387229 407338288 /nfs/dbraw/zinc/33/82/88/407338288.db2.gz NTMGYZIIRCOPJL-LBPRGKRZSA-N 1 0 307.394 1.798 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(Cc2cc(F)c(F)cc2F)CC1 ZINC000123607396 407334566 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C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H]2c2cnn(C)c2)C[N@@H+]1C1CC1 ZINC000127971005 407485195 /nfs/dbraw/zinc/48/51/95/407485195.db2.gz YLIUJUSTAUTHHH-XNRPHZJLSA-N 1 0 317.437 1.892 10 0 DDAERO C[C@H]1C[C@H]1NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000170806131 407512116 /nfs/dbraw/zinc/51/21/16/407512116.db2.gz RCWAEWZXKDIQGJ-WMLDXEAASA-N 1 0 316.449 1.642 10 0 DDAERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)N1CCC[C@H]2CCCC[C@H]21 ZINC000178631360 407518946 /nfs/dbraw/zinc/51/89/46/407518946.db2.gz QGWSBUJIKFNIJU-BRWVUGGUSA-N 1 0 305.466 1.948 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC(=O)N1CCCCC1 ZINC000113590782 407518870 /nfs/dbraw/zinc/51/88/70/407518870.db2.gz NKNXNAOBLSWAJZ-HUUCEWRRSA-N 1 0 322.453 1.267 10 0 DDAERO COc1ccc(CCCNC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170833054 407522725 /nfs/dbraw/zinc/52/27/25/407522725.db2.gz NZDNSNUOXGSTCJ-HNNXBMFYSA-N 1 0 305.422 1.973 10 0 DDAERO CCCOc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170844744 407526873 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CCOC(=O)c1nn(C)cc1CNC[C@H]1CCC[N@@H+]1CC(C)C ZINC000186386009 407653080 /nfs/dbraw/zinc/65/30/80/407653080.db2.gz BGNHUAKGWPAENN-OAHLLOKOSA-N 1 0 322.453 1.807 10 0 DDAERO CSCCCCCNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000186164931 407593722 /nfs/dbraw/zinc/59/37/22/407593722.db2.gz GDJJYWKZBHSYIE-ZDUSSCGKSA-N 1 0 303.472 1.492 10 0 DDAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000130478309 407692275 /nfs/dbraw/zinc/69/22/75/407692275.db2.gz VHTIVMBDPYFAJN-ZDUSSCGKSA-N 1 0 309.414 1.515 10 0 DDAERO Fc1ccccc1OCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261974352 407699246 /nfs/dbraw/zinc/69/92/46/407699246.db2.gz QXSHKKSGHMXVFI-FVQBIDKESA-N 1 0 308.397 1.951 10 0 DDAERO Cn1cc(CN2CCC[N@H+](Cc3cnc(N)s3)CC2)cn1 ZINC000262002412 407708921 /nfs/dbraw/zinc/70/89/21/407708921.db2.gz LKHDIZLFFCLOJR-UHFFFAOYSA-N 1 0 306.439 1.167 10 0 DDAERO O=C(/C=C/c1ccc2c(c1)OCO2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171584538 407711657 /nfs/dbraw/zinc/71/16/57/407711657.db2.gz BUEQSWPVKHBQPT-YVZNUBBCSA-N 1 0 300.358 1.735 10 0 DDAERO C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1[NH3+] ZINC000235677938 407720721 /nfs/dbraw/zinc/72/07/21/407720721.db2.gz DSODXDREIQDTQR-KWQFWETISA-N 1 0 308.325 1.673 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000262038640 407720864 /nfs/dbraw/zinc/72/08/64/407720864.db2.gz FXYAUCZEDOBENV-DOMZBBRYSA-N 1 0 308.378 1.245 10 0 DDAERO Cn1cc([C@@H]2CCN(C(=O)NC3CC[NH+](C4CC4)CC3)C2)cn1 ZINC000116415983 407753538 /nfs/dbraw/zinc/75/35/38/407753538.db2.gz HKRWUZQUVIFASA-CYBMUJFWSA-N 1 0 317.437 1.546 10 0 DDAERO CC[N@H+](CC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1)C1CC1 ZINC000179164935 407740023 /nfs/dbraw/zinc/74/00/23/407740023.db2.gz PMHBCFQKYQEOQX-LBPRGKRZSA-N 1 0 305.426 1.317 10 0 DDAERO Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)no1 ZINC000179164939 407741202 /nfs/dbraw/zinc/74/12/02/407741202.db2.gz DGAMRCATVVMIIU-GFCCVEGCSA-N 1 0 308.382 1.158 10 0 DDAERO CCC[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000262195013 407763587 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COc1cccc(OC)c1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116977953 407802744 /nfs/dbraw/zinc/80/27/44/407802744.db2.gz HUAJRNHGFKLWJR-GFCCVEGCSA-N 1 0 308.378 1.106 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)N[C@@H](C)CCOC)C[C@@H]1CC ZINC000117042506 407807145 /nfs/dbraw/zinc/80/71/45/407807145.db2.gz WGWNTNCIUYHMAK-GJZGRUSLSA-N 1 0 315.458 1.554 10 0 DDAERO CCc1ccc(CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)s1 ZINC000117033719 407807683 /nfs/dbraw/zinc/80/76/83/407807683.db2.gz NZESNRIGWCJRBM-GFCCVEGCSA-N 1 0 311.451 1.783 10 0 DDAERO COCCn1nc(C)c(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000179553553 407808065 /nfs/dbraw/zinc/80/80/65/407808065.db2.gz DHGJSRQFMGVMRF-CQSZACIVSA-N 1 0 321.425 1.458 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000262354783 407809731 /nfs/dbraw/zinc/80/97/31/407809731.db2.gz UWEPCSCGFDDFSN-GFCCVEGCSA-N 1 0 307.394 1.892 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000262380679 407818851 /nfs/dbraw/zinc/81/88/51/407818851.db2.gz XTUZLJBEAVYLNX-VXGBXAGGSA-N 1 0 313.195 1.526 10 0 DDAERO CC[C@@H]1CN(C(=O)CCc2ccccn2)CC[N@@H+]1CCOC ZINC000117308130 407827411 /nfs/dbraw/zinc/82/74/11/407827411.db2.gz INBCMXUAVJEVJK-MRXNPFEDSA-N 1 0 305.422 1.583 10 0 DDAERO COc1ccccc1CNC(=O)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000262438858 407833409 /nfs/dbraw/zinc/83/34/09/407833409.db2.gz GOHRXHCICNMDTG-HNNXBMFYSA-N 1 0 305.422 1.385 10 0 DDAERO [NH3+][C@@H]1CC[C@@H]2CN(CC(=O)Nc3nc4ccccc4s3)C[C@H]12 ZINC000262528500 407858697 /nfs/dbraw/zinc/85/86/97/407858697.db2.gz PEUGFVFBXXNMMZ-GRYCIOLGSA-N 1 0 316.430 1.904 10 0 DDAERO CCOc1ccc(Br)cc1NC(=O)[C@@H]([NH3+])COC ZINC000262579560 407872252 /nfs/dbraw/zinc/87/22/52/407872252.db2.gz UGWFXPGWGCCFAL-VIFPVBQESA-N 1 0 317.183 1.760 10 0 DDAERO COC(=O)c1cccc2[nH]c(NC(=O)[C@H]([NH3+])CCSC)nc21 ZINC000262587133 407874944 /nfs/dbraw/zinc/87/49/44/407874944.db2.gz SUOYEPYDYXLLOW-SECBINFHSA-N 1 0 322.390 1.368 10 0 DDAERO O=C(NCCC[NH+]1CCC(Cn2cccn2)CC1)C(F)(F)F ZINC000180619420 407905294 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C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000263105414 408026202 /nfs/dbraw/zinc/02/62/02/408026202.db2.gz ZTKSVYHLDGYYHW-DZKIICNBSA-N 1 0 306.410 1.018 10 0 DDAERO CCOC(=O)C[C@@H](C)CNC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000245637425 408032423 /nfs/dbraw/zinc/03/24/23/408032423.db2.gz WBCKTKYUHORJJK-ZIAGYGMSSA-N 1 0 313.442 1.701 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCC(=O)N(C)C ZINC000245664330 408037914 /nfs/dbraw/zinc/03/79/14/408037914.db2.gz DOJIGMSBYOCFBP-KGLIPLIRSA-N 1 0 310.442 1.123 10 0 DDAERO O=C([C@H]1CC(F)(F)CN1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000263167157 408044664 /nfs/dbraw/zinc/04/46/64/408044664.db2.gz FHDSWZUNHOYCDU-QWHCGFSZSA-N 1 0 301.381 1.461 10 0 DDAERO CN1CC[NH2+]C[C@@H]1c1noc(C[C@@H]2OCCc3ccccc32)n1 ZINC000263175552 408047842 /nfs/dbraw/zinc/04/78/42/408047842.db2.gz GFBSVMQBCGDDFD-CABCVRRESA-N 1 0 314.389 1.502 10 0 DDAERO C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C[C@H]1N1CCOCC1 ZINC000263212639 408058761 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O=C(CN1CC[N@@H+]2CCC[C@H]2C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000245924363 408103048 /nfs/dbraw/zinc/10/30/48/408103048.db2.gz NNTCZPRSXNPJCO-STQMWFEESA-N 1 0 319.371 1.567 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN([C@H]2CCN(c3ccccc3)C2=O)C[C@@H]1C ZINC000246051889 408129192 /nfs/dbraw/zinc/12/91/92/408129192.db2.gz WCWGCLGUEYRVOT-ZOBUZTSGSA-N 1 0 317.433 1.179 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(C(=O)c2c[nH]c3cc(F)ccc32)C[C@@H]1C ZINC000246080272 408136686 /nfs/dbraw/zinc/13/66/86/408136686.db2.gz GYFZKWKEXYKPFD-RYUDHWBXSA-N 1 0 319.380 1.834 10 0 DDAERO C[C@H](CN1CCOCC1)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246090741 408138348 /nfs/dbraw/zinc/13/83/48/408138348.db2.gz NQHCTVIOFALASR-CVEARBPZSA-N 1 0 304.438 1.536 10 0 DDAERO CCc1nn(C)c(Cl)c1CN1CC[C@@H](N2CCOCC2)C1 ZINC000120961857 408148956 /nfs/dbraw/zinc/14/89/56/408148956.db2.gz MCCOZOYBNCEOQO-GFCCVEGCSA-N 1 0 312.845 1.542 10 0 DDAERO Cc1c(F)cccc1NC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000190081177 408159512 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CCn1c(C)nnc1CN1CC[NH2+]C[C@H]1c1ccccc1OC ZINC000261650245 163679173 /nfs/dbraw/zinc/67/91/73/163679173.db2.gz GGGAHENNTBPKNY-HNNXBMFYSA-N 1 0 315.421 1.762 10 0 DDAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccnc(C2CC2)n1 ZINC000261667849 163681317 /nfs/dbraw/zinc/68/13/17/163681317.db2.gz OSBMBQUGOLITBG-DOOHLRMFSA-N 1 0 300.406 1.990 10 0 DDAERO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H]2C)ccc1OC(C)C ZINC000261685010 163685342 /nfs/dbraw/zinc/68/53/42/163685342.db2.gz MUFOGVOIOHPZCR-TZMCWYRMSA-N 1 0 312.435 1.892 10 0 DDAERO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)Cc1noc2ccccc12 ZINC000261704795 163688553 /nfs/dbraw/zinc/68/85/53/163688553.db2.gz OREWKBUJQWGCQA-CMPLNLGQSA-N 1 0 309.391 1.375 10 0 DDAERO C[C@H]([NH3+])CC(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000261784373 163702723 /nfs/dbraw/zinc/70/27/23/163702723.db2.gz JXAAVTUHCZLPCP-LBPRGKRZSA-N 1 0 323.824 1.291 10 0 DDAERO C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261975840 163740633 /nfs/dbraw/zinc/74/06/33/163740633.db2.gz LTIMSZKTVVIBCR-GXTWGEPZSA-N 1 0 303.406 1.391 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(OC2CCCCC2)cc1 ZINC000262068232 163760628 /nfs/dbraw/zinc/76/06/28/163760628.db2.gz BJEKQGIVGIGABP-PBHICJAKSA-N 1 0 318.417 1.708 10 0 DDAERO CSc1cccc(S(=O)(=O)NC2CCC([NH3+])CC2)c1 ZINC000262097243 163767021 /nfs/dbraw/zinc/76/70/21/163767021.db2.gz SKEDCRFFDRKNKO-UHFFFAOYSA-N 1 0 300.449 1.957 10 0 DDAERO C[C@@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N1CCCCC1 ZINC000262109084 163770104 /nfs/dbraw/zinc/77/01/04/163770104.db2.gz JQVMZNHVPBAGOQ-FFHGMXDLSA-N 1 0 307.438 1.424 10 0 DDAERO Cc1cc(O[C@H](C)C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)ccc1C(C)C ZINC000262238582 163791757 /nfs/dbraw/zinc/79/17/57/163791757.db2.gz KSSNOGFQDKUFKS-KEYYUXOJSA-N 1 0 320.433 1.582 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc(-c2ccccc2)ns1 ZINC000262269709 163796638 /nfs/dbraw/zinc/79/66/38/163796638.db2.gz MTWFOMUPHHOXEX-YPMHNXCESA-N 1 0 303.387 1.120 10 0 DDAERO CC1(C)C[N@H+](C[C@@H](O)COCc2ccccc2)C[C@H](CO)O1 ZINC000309793080 164005162 /nfs/dbraw/zinc/00/51/62/164005162.db2.gz GEFIMRYOJZGDCL-HZPDHXFCSA-N 1 0 309.406 1.036 10 0 DDAERO CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@@H](CC)CN1C(C)=O ZINC000261641715 287155775 /nfs/dbraw/zinc/15/57/75/287155775.db2.gz CTFKZZREMIOKQB-LVQVYYBASA-N 1 0 309.454 1.609 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)c2nn(C)cc2Br)C1 ZINC000339987333 410597827 /nfs/dbraw/zinc/59/78/27/410597827.db2.gz FSWCVLKNQITIMR-VIFPVBQESA-N 1 0 315.215 1.397 10 0 DDAERO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)COCC(F)(F)F)C1 ZINC000347919096 410789174 /nfs/dbraw/zinc/78/91/74/410789174.db2.gz IGRJDRDESNNFCI-RYUDHWBXSA-N 1 0 324.343 1.277 10 0 DDAERO COC(=O)c1cccc(CCNC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000131048156 196135644 /nfs/dbraw/zinc/13/56/44/196135644.db2.gz UYMNCRIMCLFQSX-OAHLLOKOSA-N 1 0 319.405 1.361 10 0 DDAERO Cc1cccc(NC(=O)NCC(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000131175999 196146444 /nfs/dbraw/zinc/14/64/44/196146444.db2.gz PFPQLSGAGNOMDV-CQSZACIVSA-N 1 0 304.394 1.456 10 0 DDAERO CN(CCOc1cccc(Cl)c1)C(=O)C1([NH3+])CCOCC1 ZINC000132163429 196231435 /nfs/dbraw/zinc/23/14/35/196231435.db2.gz ZAEMDFFLASRJNU-UHFFFAOYSA-N 1 0 312.797 1.685 10 0 DDAERO O[C@H]1CCCC[C@@H]1[NH+]1CCC(Nc2ncnc3nc[nH]c32)CC1 ZINC000132979649 196302155 /nfs/dbraw/zinc/30/21/55/196302155.db2.gz SDWURJSZOPOSMF-STQMWFEESA-N 1 0 316.409 1.533 10 0 DDAERO CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000366763239 418513468 /nfs/dbraw/zinc/51/34/68/418513468.db2.gz TZKRFEYYSOWFBC-RWMBFGLXSA-N 1 0 305.426 1.522 10 0 DDAERO Cc1cc(Br)cnc1N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000132893502 418514694 /nfs/dbraw/zinc/51/46/94/418514694.db2.gz NSIHBJOOPDFWCK-KOLCDFICSA-N 1 0 300.200 1.705 10 0 DDAERO Cc1cc(Br)cnc1N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000132893738 418514891 /nfs/dbraw/zinc/51/48/91/418514891.db2.gz NSIHBJOOPDFWCK-MWLCHTKSSA-N 1 0 300.200 1.705 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc3cc(C)ccn3c2=O)C1 ZINC000194659944 418546231 /nfs/dbraw/zinc/54/62/31/418546231.db2.gz AOTXDARNQCMCSF-CYBMUJFWSA-N 1 0 314.389 1.217 10 0 DDAERO CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@H](C)[NH3+] ZINC000194901139 418550106 /nfs/dbraw/zinc/55/01/06/418550106.db2.gz GWSQUZSVCKVTHI-TVQRCGJNSA-N 1 0 313.348 1.183 10 0 DDAERO C[NH+](C)C[C@@H](NC(=O)c1ccc(C(N)=O)s1)c1ccccc1 ZINC000195488157 418557121 /nfs/dbraw/zinc/55/71/21/418557121.db2.gz HAMGAESRUSFONR-GFCCVEGCSA-N 1 0 317.414 1.880 10 0 DDAERO CCO[C@@H]1C[C@](CO)([NH2+]C[C@H](O)COC(C)(C)C)C1(C)C ZINC000189968861 222063444 /nfs/dbraw/zinc/06/34/44/222063444.db2.gz SMPWDIUICAHZEB-WOSRLPQWSA-N 1 0 303.443 1.318 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(N3CCOCC3)cn2)C1 ZINC000194892174 222185674 /nfs/dbraw/zinc/18/56/74/222185674.db2.gz WEUNHHSWPIDABL-CQSZACIVSA-N 1 0 319.409 1.086 10 0 DDAERO COc1cccc(C)c1NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000195027870 222187949 /nfs/dbraw/zinc/18/79/49/222187949.db2.gz JRPCYKOBPNKBKJ-CQSZACIVSA-N 1 0 321.421 1.972 10 0 DDAERO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)cn2C)C1 ZINC000389781542 418749957 /nfs/dbraw/zinc/74/99/57/418749957.db2.gz FPWZTCLBXSABRU-SNVBAGLBSA-N 1 0 300.200 1.612 10 0 DDAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1nscc1Br ZINC000404803531 418772844 /nfs/dbraw/zinc/77/28/44/418772844.db2.gz LQLZALCVOWDDJD-MRVPVSSYSA-N 1 0 318.240 1.929 10 0 DDAERO Cn1ccnc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1=O ZINC000371693919 418810031 /nfs/dbraw/zinc/81/00/31/418810031.db2.gz RZXOEAKSESUPET-GVDBMIGSSA-N 1 0 324.428 1.525 10 0 DDAERO NC(=O)c1ncn([C@H]2CCC[N@H+](Cc3cccc4[nH]ccc43)C2)n1 ZINC000299740049 229373972 /nfs/dbraw/zinc/37/39/72/229373972.db2.gz UZWVXBJFVVZACI-ZDUSSCGKSA-N 1 0 324.388 1.695 10 0 DDAERO CN(Cc1ccco1)C(=O)c1cnn2c1C[C@H](C[NH+](C)C)CC2 ZINC000299744347 229384297 /nfs/dbraw/zinc/38/42/97/229384297.db2.gz SBPKSCWNSPHZOG-CYBMUJFWSA-N 1 0 316.405 1.872 10 0 DDAERO CO[C@H]1CN(Cc2cncc(Br)c2)[C@](C)(C[NH3+])C1 ZINC000630359313 422045784 /nfs/dbraw/zinc/04/57/84/422045784.db2.gz CJQZNDKQFHEMTP-OLZOCXBDSA-N 1 0 314.227 1.782 10 0 DDAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@H](c2cn[nH]n2)C1 ZINC000616602785 422515561 /nfs/dbraw/zinc/51/55/61/422515561.db2.gz QRFSFPXWKAZUHL-LBPRGKRZSA-N 1 0 309.414 1.899 10 0 DDAERO CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@H](c2ccnc(N)c2)C1 ZINC000616611444 422516387 /nfs/dbraw/zinc/51/63/87/422516387.db2.gz DLWJNSFFGZONKM-ZDUSSCGKSA-N 1 0 306.410 1.978 10 0 DDAERO Cn1nccc1[C@@H]1OCCC[C@H]1C[NH2+]CC1(C(N)=O)CCCC1 ZINC000657367661 424315459 /nfs/dbraw/zinc/31/54/59/424315459.db2.gz SCJIWQYIFNEILA-DZGCQCFKSA-N 1 0 320.437 1.523 10 0 DDAERO CCn1nccc1[C@@H]1OCCC[C@H]1C[NH2+]CCc1cn(C)cn1 ZINC000657489533 424375853 /nfs/dbraw/zinc/37/58/53/424375853.db2.gz XMDWCGHDNOMATR-WMLDXEAASA-N 1 0 317.437 1.937 10 0 DDAERO COC[C@H]([NH3+])C(=O)NC[C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000262308828 274049932 /nfs/dbraw/zinc/04/99/32/274049932.db2.gz OUHPXIZGSCHBPJ-OWCLPIDISA-N 1 0 306.406 1.553 10 0 DDAERO CO[C@@H]1CCN(C(=O)c2cc3ccccc3oc2=O)[C@@H](C[NH3+])C1 ZINC000261854602 277291118 /nfs/dbraw/zinc/29/11/18/277291118.db2.gz JUQZQUFYJDKIEO-CHWSQXEVSA-N 1 0 316.357 1.371 10 0 DDAERO CO[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(F)c2)[C@H](C[NH3+])C1 ZINC000167301011 277293104 /nfs/dbraw/zinc/29/31/04/277293104.db2.gz CIKIIMMSRBJDIU-VHSXEESVSA-N 1 0 320.361 1.092 10 0 DDAERO COc1cccc2c1OCC(C(=O)N[C@H]1CCC[C@@H]1C[NH3+])=C2 ZINC000237341940 278038981 /nfs/dbraw/zinc/03/89/81/278038981.db2.gz HRDDZFFNARMISV-OCCSQVGLSA-N 1 0 302.374 1.715 10 0 DDAERO Cc1nccn1C[C@@H]1CCCN1C(=O)NC1CC[NH+](C)CC1 ZINC000175556311 279172342 /nfs/dbraw/zinc/17/23/42/279172342.db2.gz DUYGMWBDODXILS-HNNXBMFYSA-N 1 0 305.426 1.460 10 0 DDAERO CCN(CCC[NH2+]CC1(O)CCCCCC1)S(C)(=O)=O ZINC000038035676 279184215 /nfs/dbraw/zinc/18/42/15/279184215.db2.gz HJCBVJOHTDXSGL-UHFFFAOYSA-N 1 0 306.472 1.333 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccnc(C(=O)N(C)C)c2)C1 ZINC000152040287 279295043 /nfs/dbraw/zinc/29/50/43/279295043.db2.gz HRCRCVMAFRUUBY-CYBMUJFWSA-N 1 0 319.409 1.389 10 0 DDAERO CCc1ccc(NC(=O)[C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cc1 ZINC000105933584 281051495 /nfs/dbraw/zinc/05/14/95/281051495.db2.gz JESAPVFTRZULSA-XJKSGUPXSA-N 1 0 305.422 1.496 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000247476330 288311084 /nfs/dbraw/zinc/31/10/84/288311084.db2.gz SDZBYCIEZGWECJ-KBMXLJTQSA-N 1 0 319.449 1.330 10 0 DDAERO CCCCNC(=O)C1CCN(C(=O)[C@H](CCC)[NH+](C)C)CC1 ZINC000135802277 281606269 /nfs/dbraw/zinc/60/62/69/281606269.db2.gz IUOINSBKKIEUBK-HNNXBMFYSA-N 1 0 311.470 1.872 10 0 DDAERO COCCN1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@@H]1C ZINC000247501299 282056718 /nfs/dbraw/zinc/05/67/18/282056718.db2.gz XKDBOHGZEUUKQS-HOTGVXAUSA-N 1 0 311.470 1.430 10 0 DDAERO Cc1csc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)n1 ZINC000175897693 293038163 /nfs/dbraw/zinc/03/81/63/293038163.db2.gz YHQFZUZRIMZHOW-LLVKDONJSA-N 1 0 312.439 1.483 10 0 DDAERO C[C@@H]1CN(C[C@H]2CCCN2C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000261787343 297026109 /nfs/dbraw/zinc/02/61/09/297026109.db2.gz PVZDMMXLZZNQMK-ZHCJQAHYSA-N 1 0 323.481 1.462 10 0 DDAERO [NH3+]C1(C(=O)N[C@@H]2CCOc3c(Cl)cccc32)CCOCC1 ZINC000261898950 295203904 /nfs/dbraw/zinc/20/39/04/295203904.db2.gz RLGDVBOUVAMVFJ-GFCCVEGCSA-N 1 0 310.781 1.788 10 0 DDAERO CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000171597326 298233969 /nfs/dbraw/zinc/23/39/69/298233969.db2.gz YWEPJIAYPFMODU-GXTWGEPZSA-N 1 0 313.405 1.772 10 0 DDAERO C[C@H]1CN(S(=O)(=O)c2ccccc2-c2ccno2)C[C@@H]1[NH3+] ZINC000262024763 300288212 /nfs/dbraw/zinc/28/82/12/300288212.db2.gz JCTBXOYDXAEYTJ-JQWIXIFHSA-N 1 0 307.375 1.309 10 0 DDAERO C[C@@H]1C[C@@H](CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C[C@H](C)O1 ZINC000366998795 300788176 /nfs/dbraw/zinc/78/81/76/300788176.db2.gz SHSDRORRIJIHSC-XGUBFFRZSA-N 1 0 313.442 1.162 10 0 DDAERO O=C(OCc1ccccc1)N1CC(N[C@@H]2CCC[NH2+]CC2)C1 ZINC000397228024 302352870 /nfs/dbraw/zinc/35/28/70/302352870.db2.gz DCHMJJOWZSENKH-OAHLLOKOSA-N 1 0 303.406 1.739 10 0 DDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccsc1Br ZINC000388380864 325770952 /nfs/dbraw/zinc/77/09/52/325770952.db2.gz NWNVUCYULBABLN-VXNVDRBHSA-N 1 0 303.225 1.982 10 0 DDAERO COc1cccc(N2CCN(C(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)c1 ZINC000261714808 484254630 /nfs/dbraw/zinc/25/46/30/484254630.db2.gz JLXUEOXPBNPWNP-RHSMWYFYSA-N 1 0 317.433 1.719 10 0 DDAERO CCO[C@H](C)c1noc(CN(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000261781416 484256842 /nfs/dbraw/zinc/25/68/42/484256842.db2.gz PGWULJWPLOMKAS-IJLUTSLNSA-N 1 0 310.398 1.501 10 0 DDAERO CCCc1ccc(C(=O)CCC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262289247 484268189 /nfs/dbraw/zinc/26/81/89/484268189.db2.gz OMDPSZYPNVZSIC-WBVHZDCISA-N 1 0 318.417 1.299 10 0 DDAERO Cc1cc(CNC[C@H]2C[NH2+]C[C@H]2O)c(OC(F)F)cc1C ZINC000263110319 484274429 /nfs/dbraw/zinc/27/44/29/484274429.db2.gz AFPTYBNYBLUANN-QWHCGFSZSA-N 1 0 300.349 1.575 10 0 DDAERO CC[N@@H+]1CCCN(C[C@H](O)COCc2ccccc2)[C@@H](C)C1 ZINC000320273456 484402050 /nfs/dbraw/zinc/40/20/50/484402050.db2.gz FMBBLFBMZGTRHW-WMZOPIPTSA-N 1 0 306.450 1.980 10 0 DDAERO CC(=O)N1CC[C@@H](C[N@H+](C)C[C@H](O)COCc2ccccc2)C1 ZINC000156410772 519612857 /nfs/dbraw/zinc/61/28/57/519612857.db2.gz OEACQDDKCXETQI-ROUUACIJSA-N 1 0 320.433 1.364 10 0 DDAERO CCC[C@@H](C(=O)N1CCC(N2CCCCC2=O)CC1)[NH+](C)C ZINC000156114813 520576051 /nfs/dbraw/zinc/57/60/51/520576051.db2.gz GWLDZMQLCLHOFS-HNNXBMFYSA-N 1 0 309.454 1.720 10 0 DDAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1CCN1CCCC1=O ZINC000174235237 534890029 /nfs/dbraw/zinc/89/00/29/534890029.db2.gz UVPUOZRTLWYMNB-ZDUSSCGKSA-N 1 0 311.426 1.598 10 0 DDAERO CC1(C)Cc2cccc(C[NH+]3CCC([C@@H](O)C(N)=O)CC3)c2O1 ZINC000299740905 527776906 /nfs/dbraw/zinc/77/69/06/527776906.db2.gz CCKCATQVBOQQBI-OAHLLOKOSA-N 1 0 318.417 1.458 10 0 DDAERO CCCCOC(=O)CCN1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000105921736 696625632 /nfs/dbraw/zinc/62/56/32/696625632.db2.gz CAXCZASXTDNNNA-MRXNPFEDSA-N 1 0 323.437 1.934 10 0 DDAERO COC(=O)N[C@@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)C(C)C ZINC000108260368 696633189 /nfs/dbraw/zinc/63/31/89/696633189.db2.gz HXEUXKUILHGQRE-CYBMUJFWSA-N 1 0 313.442 1.746 10 0 DDAERO 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DDAERO CC[C@H](CSC)NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000248504910 282088026 /nfs/dbraw/zinc/08/80/26/282088026.db2.gz VSMGPVNJWYHIPH-MJBXVCDLSA-N 1 0 317.499 1.615 10 0 DDAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000248653819 282096725 /nfs/dbraw/zinc/09/67/25/282096725.db2.gz OUYRZDGQYHVHBB-ZBFHGGJFSA-N 1 0 324.421 1.538 10 0 DDAERO O=S(=O)(CCC[NH2+]C1CC1)c1ccc2c(c1)OCCCO2 ZINC000081936178 192342648 /nfs/dbraw/zinc/34/26/48/192342648.db2.gz SDFPUTKLHRIAJU-UHFFFAOYSA-N 1 0 311.403 1.764 10 0 DDAERO CC(C)(C)[C@H](CC[NH3+])CCCN1CCN(S(C)(=O)=O)CC1 ZINC000079296859 185163829 /nfs/dbraw/zinc/16/38/29/185163829.db2.gz VTMYSGOFSMFTLA-AWEZNQCLSA-N 1 0 319.515 1.355 10 0 DDAERO [NH3+][C@@H](Cc1ccc(Br)s1)[C@H]1CCS(=O)(=O)C1 ZINC000083185317 185217083 /nfs/dbraw/zinc/21/70/83/185217083.db2.gz IGQOAOWOYWJDAW-CBAPKCEASA-N 1 0 324.265 1.815 10 0 DDAERO C[C@@H](CCC[NH3+])Nc1ncncc1I ZINC000087362227 185222774 /nfs/dbraw/zinc/22/27/74/185222774.db2.gz SJEIWYDXBISFDK-ZETCQYMHSA-N 1 0 306.151 1.621 10 0 DDAERO CC[C@H](C[NH3+])NC(=O)c1ccc(OC)c(Br)c1 ZINC000087385789 185223265 /nfs/dbraw/zinc/22/32/65/185223265.db2.gz RVXCHSNCKXHRFF-SECBINFHSA-N 1 0 301.184 1.925 10 0 DDAERO CC[C@@H](C[NH3+])NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000087386286 185223327 /nfs/dbraw/zinc/22/33/27/185223327.db2.gz VFRCYIFRUIXQLN-QMMMGPOBSA-N 1 0 312.313 1.601 10 0 DDAERO CCCCN(C(=O)C(C)(C)C(C)(C)[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000087627934 185229475 /nfs/dbraw/zinc/22/94/75/185229475.db2.gz XPXXSPBRLMEPNG-LBPRGKRZSA-N 1 0 318.483 1.566 10 0 DDAERO C[C@H]([NH3+])CCC[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000087682552 185230549 /nfs/dbraw/zinc/23/05/49/185230549.db2.gz IUHFANCSPHAJLE-QWRGUYRKSA-N 1 0 313.423 1.426 10 0 DDAERO NNc1nc(NC[C@H]2CCC[C@H]2O)c(Br)c[nH+]1 ZINC000087889976 185234774 /nfs/dbraw/zinc/23/47/74/185234774.db2.gz QFYKMTLRDAGSSM-HTRCEHHLSA-N 1 0 302.176 1.098 10 0 DDAERO Cc1noc(C)c1CNc1nc(NN)[nH+]cc1Br ZINC000087892750 185235002 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/nfs/dbraw/zinc/34/81/04/192348104.db2.gz CHXRCNLQMGVPSD-ZIAGYGMSSA-N 1 0 319.467 1.865 10 0 DDAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](C)OCC2CC2)CC1 ZINC000176458379 539229474 /nfs/dbraw/zinc/22/94/74/539229474.db2.gz DKRPVSNOCYFYPH-KGLIPLIRSA-N 1 0 312.454 1.353 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2cnc(C3CC3)nc2)CCO1 ZINC000181202781 539237308 /nfs/dbraw/zinc/23/73/08/539237308.db2.gz PVRHENOZOBUNOD-CYBMUJFWSA-N 1 0 305.382 1.148 10 0 DDAERO CCC[C@H]1CC[C@H]([NH2+]CC)[C@H](S(=O)(=O)CC(=O)OCC)C1 ZINC000081977193 192348429 /nfs/dbraw/zinc/34/84/29/192348429.db2.gz ZJVLXJJPMALORH-MELADBBJSA-N 1 0 319.467 1.911 10 0 DDAERO Cc1cc(=O)[nH]c(SC[C@@H](O)[C@H]([NH3+])Cc2ccccc2)n1 ZINC000088398307 185248343 /nfs/dbraw/zinc/24/83/43/185248343.db2.gz IDQIZBAIROMSQU-CHWSQXEVSA-N 1 0 305.403 1.101 10 0 DDAERO CCC[NH2+][C@@](C)(CCN1CCC[C@H](C(F)(F)F)C1)C(N)=O ZINC000088435112 185250129 /nfs/dbraw/zinc/25/01/29/185250129.db2.gz DHFZTUASIDULIR-AAEUAGOBSA-N 1 0 309.376 1.894 10 0 DDAERO CCOCCCNS(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000088542147 185256226 /nfs/dbraw/zinc/25/62/26/185256226.db2.gz DDHBTHCTHXJNPV-UHFFFAOYSA-N 1 0 318.439 1.730 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)NCc2ccccc2Cl)o1 ZINC000088542016 185256333 /nfs/dbraw/zinc/25/63/33/185256333.db2.gz DJRNNCPYAGIJML-UHFFFAOYSA-N 1 0 300.767 1.870 10 0 DDAERO CC[NH+](CC)CCNC(=O)c1sc2c(c(C)nn2C)c1N ZINC000088639218 185260631 /nfs/dbraw/zinc/26/06/31/185260631.db2.gz VTTSJZQGLJJEIG-UHFFFAOYSA-N 1 0 309.439 1.597 10 0 DDAERO O=S(=O)(c1cccc(CO)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000088873250 185267669 /nfs/dbraw/zinc/26/76/69/185267669.db2.gz GIVHSGDAKRWAMZ-CQSZACIVSA-N 1 0 310.419 1.038 10 0 DDAERO C[NH2+][C@H]1CCC2(C[C@H]1S(=O)(=O)C1CCCC1)OCCO2 ZINC000081988267 192350521 /nfs/dbraw/zinc/35/05/21/192350521.db2.gz UPJXBWVNCBVUID-QWHCGFSZSA-N 1 0 303.424 1.227 10 0 DDAERO Nc1[nH+]c2ccc(Br)cc2n1[C@H]1CCC(=O)NC1=O ZINC000090018295 185278349 /nfs/dbraw/zinc/27/83/49/185278349.db2.gz CXAGAXQUVFKTSM-QMMMGPOBSA-N 1 0 323.150 1.359 10 0 DDAERO CC[NH2+][C@H](C[S@](=O)CCS(C)(=O)=O)c1ccc(C)cc1 ZINC000081992477 192352237 /nfs/dbraw/zinc/35/22/37/192352237.db2.gz XOGXCCYENXSFLO-KUHUBIRLSA-N 1 0 317.476 1.439 10 0 DDAERO CCC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1S(=O)(=O)CC(=O)OC ZINC000082009968 192353238 /nfs/dbraw/zinc/35/32/38/192353238.db2.gz DPCPQNUKSVLXMS-IHRRRGAJSA-N 1 0 319.467 1.767 10 0 DDAERO C[C@@](O)(CO)C[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000090284793 185289414 /nfs/dbraw/zinc/28/94/14/185289414.db2.gz AQIKENMNJMCSNF-LBPRGKRZSA-N 1 0 318.167 1.011 10 0 DDAERO C[C@H](c1nc2ccccc2s1)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308435 185290120 /nfs/dbraw/zinc/29/01/20/185290120.db2.gz XLCOWNSTZKLBSW-GFCCVEGCSA-N 1 0 302.447 1.947 10 0 DDAERO CCc1nn(C)c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1Br ZINC000090322527 185291010 /nfs/dbraw/zinc/29/10/10/185291010.db2.gz VHZSFWDQILQKFV-UWVGGRQHSA-N 1 0 313.243 1.396 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cncc(Br)c1 ZINC000090335836 185291607 /nfs/dbraw/zinc/29/16/07/185291607.db2.gz PCCNJOIIXGDJGE-PWSUYJOCSA-N 1 0 324.222 1.914 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000090331929 185291674 /nfs/dbraw/zinc/29/16/74/185291674.db2.gz QRQOXBQFRIGXFN-GLXFQSAKSA-N 1 0 316.373 1.583 10 0 DDAERO CCc1ccc(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@@H]3[C@@H]2CC)cc1 ZINC000090331939 185291697 /nfs/dbraw/zinc/29/16/97/185291697.db2.gz TYSMEZCCLRDMMZ-BPUTZDHNSA-N 1 0 308.447 1.868 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1S(=O)(=O)c1ccccc1Cl ZINC000090336920 185291825 /nfs/dbraw/zinc/29/18/25/185291825.db2.gz ZGDYXZIEKNXYOA-QWRGUYRKSA-N 1 0 314.838 1.959 10 0 DDAERO COC(=O)c1sccc1NC(=O)CSCC[C@H](C)[NH3+] ZINC000090346392 185292214 /nfs/dbraw/zinc/29/22/14/185292214.db2.gz QXVIGKOJDOBHPL-QMMMGPOBSA-N 1 0 302.421 1.944 10 0 DDAERO COc1ccc(NC(=O)[C@@H]2COC[C@@H]2[NH3+])c(C(F)(F)F)c1 ZINC000090379856 185293510 /nfs/dbraw/zinc/29/35/10/185293510.db2.gz IAUYVDCNDHRZQN-SCZZXKLOSA-N 1 0 304.268 1.626 10 0 DDAERO [NH3+][C@@H]1COC[C@H]1C(=O)NCCc1ccc(Cl)cc1Cl ZINC000090378998 185293713 /nfs/dbraw/zinc/29/37/13/185293713.db2.gz YUWMMWNBRHEBSA-ZYHUDNBSSA-N 1 0 303.189 1.626 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cccc(-c2nccs2)c1 ZINC000090434261 185296097 /nfs/dbraw/zinc/29/60/97/185296097.db2.gz DKPVFUAYROYXBK-QWHCGFSZSA-N 1 0 303.387 1.983 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000090438623 185296557 /nfs/dbraw/zinc/29/65/57/185296557.db2.gz POVWDDCDECTUAU-XJKSGUPXSA-N 1 0 309.841 1.696 10 0 DDAERO C[C@H]1CN(c2ncncc2I)CCN1C ZINC000090782331 185311946 /nfs/dbraw/zinc/31/19/46/185311946.db2.gz QIPWRDINPUCKDE-QMMMGPOBSA-N 1 0 318.162 1.222 10 0 DDAERO Cc1noc(C)c1[C@H](C)NS(=O)(=O)c1cc(C[NH3+])n(C)c1 ZINC000092344100 185313282 /nfs/dbraw/zinc/31/32/82/185313282.db2.gz JMSVSRFOPGJOTQ-VIFPVBQESA-N 1 0 312.395 1.128 10 0 DDAERO COc1ccc(Cl)cc1NC(=O)c1cn(C2C[NH2+]C2)nn1 ZINC000092700090 185333892 /nfs/dbraw/zinc/33/38/92/185333892.db2.gz PGKUSNZDEOTZDQ-UHFFFAOYSA-N 1 0 307.741 1.337 10 0 DDAERO C[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000092956017 185350388 /nfs/dbraw/zinc/35/03/88/185350388.db2.gz LFUMWWBAFAIUTL-MISXGVKJSA-N 1 0 310.419 1.265 10 0 DDAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000092951888 185350404 /nfs/dbraw/zinc/35/04/04/185350404.db2.gz JGWVHLDFXLLHMB-WCBMZHEXSA-N 1 0 316.810 1.680 10 0 DDAERO COCc1ccc(CNC(=O)C[NH2+][C@H](C)[C@H]2CCCO2)cc1 ZINC000183156927 199546811 /nfs/dbraw/zinc/54/68/11/199546811.db2.gz MGOOQNRZEDOYFN-CZUORRHYSA-N 1 0 306.406 1.606 10 0 DDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000111264844 185567558 /nfs/dbraw/zinc/56/75/58/185567558.db2.gz UEOQIWSUEXORRM-PSASIEDQSA-N 1 0 303.284 1.817 10 0 DDAERO CCC[NH2+][C@H](C)C1CCN(S(=O)(=O)c2c[nH]nc2C)CC1 ZINC000111714710 185629221 /nfs/dbraw/zinc/62/92/21/185629221.db2.gz YDEPUXUOOXTRFG-LLVKDONJSA-N 1 0 314.455 1.507 10 0 DDAERO Cc1n[nH]cc1S(=O)(=O)N1CCCC[C@H]1C[NH2+]CC(C)C ZINC000111721123 185631529 /nfs/dbraw/zinc/63/15/29/185631529.db2.gz GWZPKVLDHGJFKL-ZDUSSCGKSA-N 1 0 314.455 1.507 10 0 DDAERO CC[NH2+]C[C@@H](Cc1ccn(C(C)C)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000069990584 190847324 /nfs/dbraw/zinc/84/73/24/190847324.db2.gz VFVDSTZNXQRCAQ-ZIAGYGMSSA-N 1 0 313.467 1.667 10 0 DDAERO CCC[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1c[nH]c(CC)n1 ZINC000070421183 190889141 /nfs/dbraw/zinc/88/91/41/190889141.db2.gz UQVXKZHNCMGSDT-GFCCVEGCSA-N 1 0 314.455 1.515 10 0 DDAERO CCc1c(C)nc(-c2cnccn2)nc1N1CCC(C[NH3+])CC1 ZINC000070456148 190896626 /nfs/dbraw/zinc/89/66/26/190896626.db2.gz LIGFTPTTWRDZBH-UHFFFAOYSA-N 1 0 312.421 1.980 10 0 DDAERO COc1ccccc1-c1cc2c(N3CC[C@@H]([NH3+])C3)nccn2n1 ZINC000070459325 190898005 /nfs/dbraw/zinc/89/80/05/190898005.db2.gz NFBKSGLTGTVXIK-GFCCVEGCSA-N 1 0 309.373 1.942 10 0 DDAERO Cc1cc(F)c(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1N ZINC000070484863 190900644 /nfs/dbraw/zinc/90/06/44/190900644.db2.gz QMINVZIPTVDREZ-UHFFFAOYSA-N 1 0 315.414 1.431 10 0 DDAERO COc1cccc([S@@](=O)[C@@H]2CC3(CC[C@@H]2[NH3+])OCCO3)c1 ZINC000084003260 192395698 /nfs/dbraw/zinc/39/56/98/192395698.db2.gz JNVFGDMQLNCUFY-QTCYRWPVSA-N 1 0 311.403 1.426 10 0 DDAERO CS(=O)(=O)c1ccc([S@](=O)C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000084055940 192398138 /nfs/dbraw/zinc/39/81/38/192398138.db2.gz FEVJEQKBBMAGHW-QRWLVFNGSA-N 1 0 323.439 1.898 10 0 DDAERO CN(Cc1nc2cc3c(cc2[nH]1)OCCO3)C1CC[NH+](C)CC1 ZINC000071665649 191001531 /nfs/dbraw/zinc/00/15/31/191001531.db2.gz MBBZCPGBAIXWIX-UHFFFAOYSA-N 1 0 316.405 1.860 10 0 DDAERO [NH3+]CCc1nc(CC(=O)N2CCC(n3cccn3)CC2)cs1 ZINC000071696304 191008989 /nfs/dbraw/zinc/00/89/89/191008989.db2.gz GUYYRUGNSFHGKZ-UHFFFAOYSA-N 1 0 319.434 1.247 10 0 DDAERO NC(=O)c1ccc(F)c(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171890810 198002032 /nfs/dbraw/zinc/00/20/32/198002032.db2.gz NYRUZJAVIUYHOE-LLVKDONJSA-N 1 0 306.341 1.237 10 0 DDAERO COc1ccc(CCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000171897273 198004128 /nfs/dbraw/zinc/00/41/28/198004128.db2.gz HUEXFYWMWHANEQ-HNNXBMFYSA-N 1 0 303.406 1.727 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cncnc1OC ZINC000182040181 199378232 /nfs/dbraw/zinc/37/82/32/199378232.db2.gz QTBPJSRRMUFUNA-NWDGAFQWSA-N 1 0 305.382 1.576 10 0 DDAERO C[C@@H](NC(=O)c1ccco1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000028067576 352226571 /nfs/dbraw/zinc/22/65/71/352226571.db2.gz IBOCLVGSRQRERD-CQSZACIVSA-N 1 0 321.421 1.636 10 0 DDAERO CCCc1ncc(C(=O)N2CCN(CCOC)[C@@H](C)C2)s1 ZINC000173805235 198253997 /nfs/dbraw/zinc/25/39/97/198253997.db2.gz ISOLXOZQHWHCPR-LBPRGKRZSA-N 1 0 311.451 1.888 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000173883263 198263652 /nfs/dbraw/zinc/26/36/52/198263652.db2.gz YIPQHLBPPGRSHE-YGRLFVJLSA-N 1 0 318.389 1.972 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(OCCC(N)=O)cc2)C1 ZINC000173902542 198265957 /nfs/dbraw/zinc/26/59/57/198265957.db2.gz GOSPXQUMDXPMEE-ZDUSSCGKSA-N 1 0 320.393 1.109 10 0 DDAERO COC(=O)c1ccccc1OCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000182150394 199393715 /nfs/dbraw/zinc/39/37/15/199393715.db2.gz NDMHELSJWDRCPW-CQSZACIVSA-N 1 0 304.390 1.632 10 0 DDAERO COC[C@H](O)C[NH+]1CCC(Nc2nc(C(C)C)ns2)CC1 ZINC000089646220 353776862 /nfs/dbraw/zinc/77/68/62/353776862.db2.gz WYCLECPXMMWFCZ-GFCCVEGCSA-N 1 0 314.455 1.545 10 0 DDAERO C[C@H]([NH3+])C(C)(C)Nc1ncncc1I ZINC000128965302 354077334 /nfs/dbraw/zinc/07/73/34/354077334.db2.gz HXOZCYOYHATPGV-LURJTMIESA-N 1 0 306.151 1.619 10 0 DDAERO c1c(N2CCCC2)nc(N2CC[NH2+]CC2)nc1N1CCCC1 ZINC000140039001 354133151 /nfs/dbraw/zinc/13/31/51/354133151.db2.gz MVCQTGODWFNGIU-UHFFFAOYSA-N 1 0 302.426 1.087 10 0 DDAERO COC(=O)C[C@H](NC(=O)[C@@H]1CCC[C@H]1C[NH3+])c1cccs1 ZINC000250363760 354381416 /nfs/dbraw/zinc/38/14/16/354381416.db2.gz HYVQZVLJEAEQFR-TUAOUCFPSA-N 1 0 310.419 1.844 10 0 DDAERO CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000262549362 354392797 /nfs/dbraw/zinc/39/27/97/354392797.db2.gz PHFPWBXYALNXKY-ZNMIVQPWSA-N 1 0 309.454 1.611 10 0 DDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000248718519 354370465 /nfs/dbraw/zinc/37/04/65/354370465.db2.gz DAJMYSJRGGTUSG-CMPLNLGQSA-N 1 0 324.812 1.518 10 0 DDAERO C[N@H+](CC1CC1)C[C@H]1CN(C(=O)C[C@H]2CCCCO2)CCO1 ZINC000328653528 354560094 /nfs/dbraw/zinc/56/00/94/354560094.db2.gz WXDNRIROKRRJEQ-CVEARBPZSA-N 1 0 310.438 1.515 10 0 DDAERO CCN1CCN(C(=O)C[C@H]2CCCCO2)C[C@@H]1c1nccn1C ZINC000328621554 354548760 /nfs/dbraw/zinc/54/87/60/354548760.db2.gz HULREOBRPXOYFW-HUUCEWRRSA-N 1 0 320.437 1.585 10 0 DDAERO COc1ccc(Br)cc1C(=O)NCC[C@@H](C)[NH3+] ZINC000383980894 354629169 /nfs/dbraw/zinc/62/91/69/354629169.db2.gz ZWKXEBPKJVDILU-MRVPVSSYSA-N 1 0 301.184 1.925 10 0 DDAERO CN(C)C[C@H](O)C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000494952960 235107274 /nfs/dbraw/zinc/10/72/74/235107274.db2.gz NEIBRSKUAWLRJU-JXQTWKCFSA-N 1 0 315.458 1.334 10 0 DDAERO CCOc1cc(C)c(S(=O)(=O)NCC[NH+](C)C)cc1C ZINC000074921848 191388341 /nfs/dbraw/zinc/38/83/41/191388341.db2.gz DVZVSRVJKAEHLO-UHFFFAOYSA-N 1 0 300.424 1.542 10 0 DDAERO Cc1cc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc[nH+]1 ZINC000074932213 191389826 /nfs/dbraw/zinc/38/98/26/191389826.db2.gz WLFZIJONXIOXON-UHFFFAOYSA-N 1 0 317.370 1.710 10 0 DDAERO CCCNC(=O)C1(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CCCCC1 ZINC000236819758 202025782 /nfs/dbraw/zinc/02/57/82/202025782.db2.gz PBFXCKJOXGVKCK-KGLIPLIRSA-N 1 0 309.454 1.849 10 0 DDAERO NC(=[NH2+])C1(NS(=O)(=O)C2CCOCC2)CCCCCC1 ZINC000079787296 191973334 /nfs/dbraw/zinc/97/33/34/191973334.db2.gz BUUFUGIFGMSKOY-UHFFFAOYSA-N 1 0 303.428 1.114 10 0 DDAERO CC[C@@](C)(NS(=O)(=O)c1c(F)cc(F)cc1F)C(N)=[NH2+] ZINC000079799096 191974408 /nfs/dbraw/zinc/97/44/08/191974408.db2.gz QKRFHBKQKSAXKL-LLVKDONJSA-N 1 0 309.313 1.487 10 0 DDAERO COc1ccc(S(=O)(=O)N(CC(N)=[NH2+])C2CCCC2)cc1 ZINC000080224357 192013498 /nfs/dbraw/zinc/01/34/98/192013498.db2.gz ZBZNFMVQRNDYCG-UHFFFAOYSA-N 1 0 311.407 1.564 10 0 DDAERO CC[C@@H](NS(=O)(=O)CCC[NH2+]C(C)C)c1nccs1 ZINC000080315111 192023817 /nfs/dbraw/zinc/02/38/17/192023817.db2.gz AMFWVUNEEMZYQY-LLVKDONJSA-N 1 0 305.469 1.902 10 0 DDAERO C[N@@H+](CC(=O)N1CCCC1)C[C@@H](C(N)=S)c1ccccc1 ZINC000080797154 192192000 /nfs/dbraw/zinc/19/20/00/192192000.db2.gz ZISHJPAZBQJQDX-CQSZACIVSA-N 1 0 305.447 1.611 10 0 DDAERO CCCn1cc(Br)cc1C(=O)NC[C@H]([NH3+])[C@@H](C)O ZINC000080697743 192183552 /nfs/dbraw/zinc/18/35/52/192183552.db2.gz YREDPLFNMWGRMC-SCZZXKLOSA-N 1 0 318.215 1.099 10 0 DDAERO [NH3+][C@H]1CCCC[C@H]1C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000085365063 192495960 /nfs/dbraw/zinc/49/59/60/192495960.db2.gz JONWDYJSKWYOAG-TUAOUCFPSA-N 1 0 307.360 1.504 10 0 DDAERO CS(=O)(=O)Nc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085371173 192497080 /nfs/dbraw/zinc/49/70/80/192497080.db2.gz SATXZFDDGKEPAK-OLZOCXBDSA-N 1 0 311.407 1.514 10 0 DDAERO C[NH+](C)CCOc1nc2cnccn2c(=O)c1-c1ccccc1 ZINC000005689010 181273139 /nfs/dbraw/zinc/27/31/39/181273139.db2.gz VSPRROZPIHCZDO-UHFFFAOYSA-N 1 0 310.357 1.697 10 0 endogenous,in-man DDAERO [NH3+]Cc1occc1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000081542712 192287294 /nfs/dbraw/zinc/28/72/94/192287294.db2.gz MWNMVYIRYOYNEL-UHFFFAOYSA-N 1 0 301.272 1.364 10 0 DDAERO CNc1ncc(S(=O)(=O)NCCCC[NH+](C)C)cc1Cl ZINC000081693582 192314518 /nfs/dbraw/zinc/31/45/18/192314518.db2.gz HSLIMNCJLDBIAQ-UHFFFAOYSA-N 1 0 320.846 1.397 10 0 DDAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)N[C@H](C)CCOC)cc1 ZINC000081717799 192316993 /nfs/dbraw/zinc/31/69/93/192316993.db2.gz GXHJITCNSBGOIR-VXGBXAGGSA-N 1 0 300.424 1.670 10 0 DDAERO C[NH2+]C[C@@H]1CCCN1c1ncncc1I ZINC000085468225 192509080 /nfs/dbraw/zinc/50/90/80/192509080.db2.gz AJDTYZVJMQMKLG-QMMMGPOBSA-N 1 0 318.162 1.269 10 0 DDAERO CCC[NH2+]CCNc1ncncc1I ZINC000085466584 192509561 /nfs/dbraw/zinc/50/95/61/192509561.db2.gz KTKXHTZYXHCEPO-UHFFFAOYSA-N 1 0 306.151 1.493 10 0 DDAERO [NH3+]C[C@@H](Nc1ncncc1I)C1CC1 ZINC000085467072 192509946 /nfs/dbraw/zinc/50/99/46/192509946.db2.gz PQUGTTJGRKMDCZ-MRVPVSSYSA-N 1 0 304.135 1.230 10 0 DDAERO CCC[C@@H]([NH3+])C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000236914876 202068761 /nfs/dbraw/zinc/06/87/61/202068761.db2.gz ZELXIFXYEVVEGV-OAHLLOKOSA-N 1 0 324.469 1.737 10 0 DDAERO CC[C@@H]1C[NH2+]C2(CCCCC2)CN1[C@@H]1CCS(=O)(=O)C1 ZINC000086181163 192551722 /nfs/dbraw/zinc/55/17/22/192551722.db2.gz YTWFNUWENBQODH-ZIAGYGMSSA-N 1 0 300.468 1.560 10 0 DDAERO [NH3+]C[C@H](SC[C@H](O)CO)c1ccccc1Br ZINC000086659345 192588100 /nfs/dbraw/zinc/58/81/00/192588100.db2.gz VBZDMGNNWKBQSX-KCJUWKMLSA-N 1 0 306.225 1.535 10 0 DDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000237085508 202148645 /nfs/dbraw/zinc/14/86/45/202148645.db2.gz LAPZWCZLXAMSDX-BLLLJJGKSA-N 1 0 303.406 1.803 10 0 DDAERO CNC(=O)Cn1ccc2ccc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)cc21 ZINC000237147869 202167388 /nfs/dbraw/zinc/16/73/88/202167388.db2.gz BASQDGGBFHQFQZ-QWHCGFSZSA-N 1 0 314.389 1.453 10 0 DDAERO COCC[S@](=O)Cc1cccc(NC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000237125274 202161146 /nfs/dbraw/zinc/16/11/46/202161146.db2.gz FELUYLWTIHNSLW-SZNDQCEHSA-N 1 0 310.419 1.272 10 0 DDAERO COc1cc(OC)c(CNC(=O)C2([NH3+])CCCCC2)c(OC)c1 ZINC000237185787 202181207 /nfs/dbraw/zinc/18/12/07/202181207.db2.gz ZFFYHSILRWQXQA-UHFFFAOYSA-N 1 0 322.405 1.990 10 0 DDAERO C[NH+](C)CC1CCN(S(=O)(=O)c2cc(CO)cs2)CC1 ZINC000088890184 192645358 /nfs/dbraw/zinc/64/53/58/192645358.db2.gz IYZWEPULAWBXRH-UHFFFAOYSA-N 1 0 318.464 1.203 10 0 DDAERO CCCn1cc(S(=O)(=O)N2CCO[C@@H](C)C2)cc1C[NH2+]C ZINC000088914047 192655198 /nfs/dbraw/zinc/65/51/98/192655198.db2.gz IFAUSYCUVIKWDZ-LBPRGKRZSA-N 1 0 315.439 1.027 10 0 DDAERO CCCCN(C)S(=O)(=O)c1cnn(CCC[NH2+]CCC)c1 ZINC000088915498 192656165 /nfs/dbraw/zinc/65/61/65/192656165.db2.gz HRHCJXYPDGXVJA-UHFFFAOYSA-N 1 0 316.471 1.693 10 0 DDAERO Cc1nn(CC[NH2+]C(C)C)c(C)c1S(=O)(=O)NC(C)C ZINC000088977057 192676883 /nfs/dbraw/zinc/67/68/83/192676883.db2.gz LCWGNXAPJBOBHY-UHFFFAOYSA-N 1 0 302.444 1.185 10 0 DDAERO CCC[C@H](C)N(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]CC ZINC000088964386 192672466 /nfs/dbraw/zinc/67/24/66/192672466.db2.gz BIQFHDUCJOYUDM-UONOGXRCSA-N 1 0 305.488 1.816 10 0 DDAERO COc1ccc(CN(C)S(=O)(=O)[C@@H](C)C[NH2+]C(C)C)cc1 ZINC000088988028 192684374 /nfs/dbraw/zinc/68/43/74/192684374.db2.gz TUULXXAGRVCTFY-ZDUSSCGKSA-N 1 0 314.451 1.843 10 0 DDAERO Cc1[nH]nc(S(=O)(=O)N(C)CC2CCCCC2)c1C[NH3+] ZINC000088995484 192686925 /nfs/dbraw/zinc/68/69/25/192686925.db2.gz XUDHZQWREADVNK-UHFFFAOYSA-N 1 0 300.428 1.378 10 0 DDAERO COC(=O)c1c(F)cccc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179222366 199001033 /nfs/dbraw/zinc/00/10/33/199001033.db2.gz DDCJPHQSESXZEB-LLVKDONJSA-N 1 0 321.352 1.924 10 0 DDAERO Cc1cnn(CC[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000180158464 199125467 /nfs/dbraw/zinc/12/54/67/199125467.db2.gz APZKNXRJCCRBHA-GFCCVEGCSA-N 1 0 308.407 1.190 10 0 DDAERO CCC[NH2+]CCCS(=O)(=O)N(Cc1ccco1)C1CC1 ZINC000089007089 192693811 /nfs/dbraw/zinc/69/38/11/192693811.db2.gz WUXNKNDMFVPFFH-UHFFFAOYSA-N 1 0 300.424 1.964 10 0 DDAERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc(I)cn1 ZINC000600958849 358357480 /nfs/dbraw/zinc/35/74/80/358357480.db2.gz RJUGVNXTZVUHOY-IONNQARKSA-N 1 0 303.147 1.849 10 0 DDAERO CCc1nn(C)c(CN2CC[C@H](C[NH3+])C2)c1Br ZINC000089322787 192767608 /nfs/dbraw/zinc/76/76/08/192767608.db2.gz UKEORFAFGRCVTE-SECBINFHSA-N 1 0 301.232 1.526 10 0 DDAERO COC(=O)CCN(CC(F)(F)F)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089457072 192792949 /nfs/dbraw/zinc/79/29/49/192792949.db2.gz AFSAZRRQUCTUKP-ZJUUUORDSA-N 1 0 310.316 1.315 10 0 DDAERO CCS(=O)(=O)c1ccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089452289 192792983 /nfs/dbraw/zinc/79/29/83/192792983.db2.gz KDUDQLSUWWEITB-FZMZJTMJSA-N 1 0 310.419 1.794 10 0 DDAERO [NH3+]CCn1cc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)nn1 ZINC000089699184 192845414 /nfs/dbraw/zinc/84/54/14/192845414.db2.gz MLRLNZUCDYJMML-RKDXNWHRSA-N 1 0 305.304 1.088 10 0 DDAERO C[C@H](NC(=O)[C@H]1CCC[NH2+]1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000237519608 202268391 /nfs/dbraw/zinc/26/83/91/202268391.db2.gz KHEAQWDZZOBHHB-JOYOIKCWSA-N 1 0 314.382 1.158 10 0 DDAERO O=C(NCC[C@H]1CCC[NH2+]C1)c1cnn(-c2ccc(F)cc2)n1 ZINC000237709348 202335143 /nfs/dbraw/zinc/33/51/43/202335143.db2.gz COUFKOVOUJYJBB-GFCCVEGCSA-N 1 0 317.368 1.526 10 0 DDAERO Cc1nc(C[C@@H]2CCCN(C(=O)[C@@H]([NH3+])c3ccccc3)C2)no1 ZINC000237772326 202351366 /nfs/dbraw/zinc/35/13/66/202351366.db2.gz MMWIGPMERFCHPS-BBRMVZONSA-N 1 0 314.389 1.859 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC000188705078 200290969 /nfs/dbraw/zinc/29/09/69/200290969.db2.gz YSBUZXIDNUGFMS-HOCLYGCPSA-N 1 0 316.405 1.517 10 0 DDAERO COc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH3+])c(C)c1F ZINC000193296684 201023305 /nfs/dbraw/zinc/02/33/05/201023305.db2.gz IYNHDWVDESXIRP-JTQLQIEISA-N 1 0 302.371 1.255 10 0 DDAERO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000193410867 201047420 /nfs/dbraw/zinc/04/74/20/201047420.db2.gz CDSPXARQXFZPHS-CBAPKCEASA-N 1 0 308.325 1.380 10 0 DDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CCCc1nc(C(C)(C)C)no1 ZINC000193535377 201070568 /nfs/dbraw/zinc/07/05/68/201070568.db2.gz XKUUCHWVXXXFAX-NWDGAFQWSA-N 1 0 308.426 1.947 10 0 DDAERO Cc1ncc(Br)c(=O)n1CC[NH2+][C@H](C)C1CC1 ZINC000090768923 192931405 /nfs/dbraw/zinc/93/14/05/192931405.db2.gz XBHCOFLAIRAZNV-MRVPVSSYSA-N 1 0 300.200 1.702 10 0 DDAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(CC(=O)NCC2CC2)C1 ZINC000195295253 201374916 /nfs/dbraw/zinc/37/49/16/201374916.db2.gz WFUXHAOAJBCCME-KRWDZBQOSA-N 1 0 316.449 1.362 10 0 DDAERO CC1(C)CCC(O)(CNC(=O)c2csc(CC[NH3+])n2)CC1 ZINC000090957522 192964526 /nfs/dbraw/zinc/96/45/26/192964526.db2.gz CDVHROJIFPSROM-UHFFFAOYSA-N 1 0 311.451 1.705 10 0 DDAERO Cc1cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)cc(N)c1C ZINC000091394932 193049924 /nfs/dbraw/zinc/04/99/24/193049924.db2.gz STAJOAORCOWVOB-CYBMUJFWSA-N 1 0 311.451 1.600 10 0 DDAERO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2ccc(C(N)=S)cc2)C1 ZINC000091395331 193050993 /nfs/dbraw/zinc/05/09/93/193050993.db2.gz VKPSDSYUNJAUHL-CQSZACIVSA-N 1 0 305.447 1.416 10 0 DDAERO CCc1nn(C)c(C[C@@H](N)C(C)(C)[NH+](C)C)c1Br ZINC000091528402 193069412 /nfs/dbraw/zinc/06/94/12/193069412.db2.gz DELKMFAWWSKHJC-LLVKDONJSA-N 1 0 317.275 1.955 10 0 DDAERO CCNS(=O)(=O)c1ccccc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091544018 193071902 /nfs/dbraw/zinc/07/19/02/193071902.db2.gz PXJFJBYDCBFQJP-MNOVXSKESA-N 1 0 311.407 1.051 10 0 DDAERO CSC1(C[NH3+])CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000091473343 193061208 /nfs/dbraw/zinc/06/12/08/193061208.db2.gz OUZNAERQXMSOJA-UHFFFAOYSA-N 1 0 311.426 1.921 10 0 DDAERO CCCNS(=O)(=O)c1ccc(N(C)CC2CC([NH3+])C2)cc1 ZINC000091473787 193061409 /nfs/dbraw/zinc/06/14/09/193061409.db2.gz PHTJMPHAFHXRFY-UHFFFAOYSA-N 1 0 311.451 1.548 10 0 DDAERO CSC1(C(N)=S)CC[NH+]([C@H](C)C(=O)NCC(C)C)CC1 ZINC000091489049 193063086 /nfs/dbraw/zinc/06/30/86/193063086.db2.gz WPINDTMHBFSXTB-LLVKDONJSA-N 1 0 317.524 1.631 10 0 DDAERO Cc1nc(NC(=O)[C@]2(C)COC[C@H]2[NH3+])ccc1Br ZINC000091507351 193066587 /nfs/dbraw/zinc/06/65/87/193066587.db2.gz HBHFTXDZHZJUCW-BXKDBHETSA-N 1 0 314.183 1.455 10 0 DDAERO CCn1nc(C)c(Cl)c1C[C@@H]([NH2+]C)[C@@H]1CN(C)CCO1 ZINC000091717923 193097200 /nfs/dbraw/zinc/09/72/00/193097200.db2.gz RLFZFNRKQVCWGU-YPMHNXCESA-N 1 0 300.834 1.326 10 0 DDAERO CC[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)[C@H]1CN(C)CCO1 ZINC000091718348 193097212 /nfs/dbraw/zinc/09/72/12/193097212.db2.gz DXBRSCVCLVNNCR-WCQYABFASA-N 1 0 300.834 1.233 10 0 DDAERO CCC[NH2+]C1CCC(N(C)S(=O)(=O)N2CCCC2)CC1 ZINC000091869859 193121441 /nfs/dbraw/zinc/12/14/41/193121441.db2.gz GBJQZWOPOQTGDK-UHFFFAOYSA-N 1 0 303.472 1.570 10 0 DDAERO Nc1ccc(SC[C@@H](O)CN2CC[NH2+]CC2)cc1Cl ZINC000091946882 193129521 /nfs/dbraw/zinc/12/95/21/193129521.db2.gz SZKRLODPXQZRQU-JTQLQIEISA-N 1 0 301.843 1.280 10 0 DDAERO C[NH2+]Cc1cc(Cl)c(OC[C@@H]2CN(C)CCO2)c(OC)c1 ZINC000092054020 193149597 /nfs/dbraw/zinc/14/95/97/193149597.db2.gz SASMJJFQYFZVFE-LBPRGKRZSA-N 1 0 314.813 1.777 10 0 DDAERO CC[NH2+]Cc1[nH]nc(C)c1S(=O)(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000092113508 193161366 /nfs/dbraw/zinc/16/13/66/193161366.db2.gz BWDYGXGLFJYOIW-NXEZZACHSA-N 1 0 300.428 1.104 10 0 DDAERO Cc1n[nH]c(C[NH2+]C2CC2)c1S(=O)(=O)N1C[C@H](C)[C@H](C)C1 ZINC000092113760 193161676 /nfs/dbraw/zinc/16/16/76/193161676.db2.gz XEHZDDAUSXULLE-AOOOYVTPSA-N 1 0 312.439 1.247 10 0 DDAERO CC1(C)CN(S(=O)(=O)c2ccc(C[NH3+])cc2F)CCO1 ZINC000092115719 193163201 /nfs/dbraw/zinc/16/32/01/193163201.db2.gz DHQFHRKKKSKDBJ-UHFFFAOYSA-N 1 0 302.371 1.084 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000092115486 193163495 /nfs/dbraw/zinc/16/34/95/193163495.db2.gz NGVHPSHDZYHSRL-QWRGUYRKSA-N 1 0 316.398 1.343 10 0 DDAERO CO[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092116045 193164142 /nfs/dbraw/zinc/16/41/42/193164142.db2.gz IRUKRQKIUAESRN-NWDGAFQWSA-N 1 0 302.371 1.130 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)N2Cc3ccccc3C2)c(F)c1 ZINC000092116060 193164587 /nfs/dbraw/zinc/16/45/87/193164587.db2.gz CJTBLIDYGFWPQQ-UHFFFAOYSA-N 1 0 306.362 1.989 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)NCCC(F)(F)F)c(F)c1 ZINC000092116152 193164614 /nfs/dbraw/zinc/16/46/14/193164614.db2.gz DVWMCGAOIMRRBO-UHFFFAOYSA-N 1 0 314.304 1.776 10 0 DDAERO CCOC(=O)[C@@H]1C[NH2+]CCN1C[C@@H]1Cc2ccccc2S1 ZINC000092267930 193182655 /nfs/dbraw/zinc/18/26/55/193182655.db2.gz FVYBHPQSUMACJM-KBPBESRZSA-N 1 0 306.431 1.540 10 0 DDAERO C[NH2+]CCn1nnnc1SC[C@@H]1CSc2ccccc21 ZINC000092295315 193185731 /nfs/dbraw/zinc/18/57/31/193185731.db2.gz DKVRPQJWXASNPX-JTQLQIEISA-N 1 0 307.448 1.874 10 0 DDAERO COc1ccc(O[C@@H](C)CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000261903148 203147225 /nfs/dbraw/zinc/14/72/25/203147225.db2.gz WTMWVPKHQHTSFR-GLQYFDAESA-N 1 0 308.378 1.085 10 0 DDAERO CN(CCc1ccccc1)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261990255 203167685 /nfs/dbraw/zinc/16/76/85/203167685.db2.gz SQGVEOQQOLMKCZ-SJORKVTESA-N 1 0 312.417 1.424 10 0 DDAERO CCOC(=O)c1cnc(C)c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000262233680 203235704 /nfs/dbraw/zinc/23/57/04/203235704.db2.gz AUPSMSKHXVPEMD-GLQYFDAESA-N 1 0 317.389 1.376 10 0 DDAERO [NH3+]C[C@@H](c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000093167416 193210393 /nfs/dbraw/zinc/21/03/93/193210393.db2.gz PCVNOFYMFXHCFJ-PWSUYJOCSA-N 1 0 318.236 1.926 10 0 DDAERO O=S1(=O)CC[C@H](C2(CCCOc3ccccc3)C[NH2+]C2)C1 ZINC000093195533 193214380 /nfs/dbraw/zinc/21/43/80/193214380.db2.gz VQRUHUVDIHEPQR-AWEZNQCLSA-N 1 0 309.431 1.870 10 0 DDAERO CC(C)COc1ccc(CCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000262571131 203334636 /nfs/dbraw/zinc/33/46/36/203334636.db2.gz ZDFGIZBVZFLQOB-HOCLYGCPSA-N 1 0 306.406 1.103 10 0 DDAERO NC1=[NH+]C[C@@H]([C@@H]2CCOC2)N1c1ccccc1Br ZINC000093382745 193240703 /nfs/dbraw/zinc/24/07/03/193240703.db2.gz IQAHEXJYOPPWEU-SKDRFNHKSA-N 1 0 310.195 1.989 10 0 DDAERO CCCN[C@]1(C(=O)OC)CCC[C@@H]1CC[N@H+](C)CCOC ZINC000093592048 193271387 /nfs/dbraw/zinc/27/13/87/193271387.db2.gz MQSNTNMJHMLFKJ-GDBMZVCRSA-N 1 0 300.443 1.666 10 0 DDAERO CCN[C@@]1(C(=O)OCC)CCC[C@H]1CC[N@H+](C)CCOC ZINC000093592038 193271655 /nfs/dbraw/zinc/27/16/55/193271655.db2.gz MQLCWPFCHXZMNC-HOCLYGCPSA-N 1 0 300.443 1.666 10 0 DDAERO COC(=O)[C@@]1([NH3+])CCC[C@@H]1CCn1cc(Br)cn1 ZINC000093598410 193272258 /nfs/dbraw/zinc/27/22/58/193272258.db2.gz MXDODCOCJMVAIF-BXKDBHETSA-N 1 0 316.199 1.706 10 0 DDAERO [NH3+][C@@H]1CCC[C@@H]1CCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000093623358 193275544 /nfs/dbraw/zinc/27/55/44/193275544.db2.gz ICXBPIKRDOLEOW-DGCLKSJQSA-N 1 0 311.403 1.749 10 0 DDAERO CC(C)[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCSc1nccn1C ZINC000093628672 193276125 /nfs/dbraw/zinc/27/61/25/193276125.db2.gz RGZOIXYPLHRQSC-IUODEOHRSA-N 1 0 310.467 1.925 10 0 DDAERO [NH3+]C[C@]1(O)CCC[C@@H]1CCN1CCN(CC(F)(F)F)CC1 ZINC000093626895 193276771 /nfs/dbraw/zinc/27/67/71/193276771.db2.gz FAFZAPSFZJIZOF-CHWSQXEVSA-N 1 0 309.376 1.046 10 0 DDAERO C[C@@H](Cc1ccco1)[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696449 193291919 /nfs/dbraw/zinc/29/19/19/193291919.db2.gz WJWFWUJGJLCACX-QWHCGFSZSA-N 1 0 300.424 1.472 10 0 DDAERO Cc1cccc(C[C@@H]([NH3+])C[C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000093700142 193294039 /nfs/dbraw/zinc/29/40/39/193294039.db2.gz HOLRMKZGZFMRAT-JKSUJKDBSA-N 1 0 310.463 1.927 10 0 DDAERO COc1ccc(C)nc1NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262757639 203399622 /nfs/dbraw/zinc/39/96/22/203399622.db2.gz LBOSDDMGNTVKOC-GFCCVEGCSA-N 1 0 315.377 1.772 10 0 DDAERO COC(=O)[C@@]1([NH3+])CCC[C@@H](Sc2nnc(N(C)C)s2)C1 ZINC000093780204 193307608 /nfs/dbraw/zinc/30/76/08/193307608.db2.gz WGVGTOHPPCUNIY-PRHODGIISA-N 1 0 316.452 1.509 10 0 DDAERO CC[NH+]1CCC(NS(=O)(=O)c2c(C)cc(N)cc2C)CC1 ZINC000093648515 193283826 /nfs/dbraw/zinc/28/38/26/193283826.db2.gz NTAXDNHOMPGACI-UHFFFAOYSA-N 1 0 311.451 1.648 10 0 DDAERO CC(C)OCCS(=O)(=O)N(C)C1(C[NH3+])CCC(C)CC1 ZINC000093664785 193285999 /nfs/dbraw/zinc/28/59/99/193285999.db2.gz CRIADQHNPRICHG-UHFFFAOYSA-N 1 0 306.472 1.581 10 0 DDAERO C[NH2+][C@@]1(C(N)=O)CC[C@H](n2nc(C)c(Br)c2C)C1 ZINC000093833778 193314315 /nfs/dbraw/zinc/31/43/15/193314315.db2.gz MOEVRDPAIYSLDH-CABZTGNLSA-N 1 0 315.215 1.431 10 0 DDAERO Cc1cc(C)nc(S[C@@H]2CC[C@]([NH2+]C(C)C)(C(N)=O)C2)n1 ZINC000093852361 193319259 /nfs/dbraw/zinc/31/92/59/193319259.db2.gz WGXSJGCQCVJDJG-IUODEOHRSA-N 1 0 308.451 1.960 10 0 DDAERO CC[NH2+][C@@]1(C(N)=O)CC[C@H](Sc2nc(C)c(C)c(C)n2)C1 ZINC000093854138 193319679 /nfs/dbraw/zinc/31/96/79/193319679.db2.gz HOPJVKHJQDCUOQ-WFASDCNBSA-N 1 0 308.451 1.880 10 0 DDAERO C[NH2+][C@@]1(CO)CC[C@H](n2nc(C)c(Br)c2C)C1 ZINC000093857654 193320254 /nfs/dbraw/zinc/32/02/54/193320254.db2.gz MEGOVCDHLJGDFM-JQWIXIFHSA-N 1 0 302.216 1.938 10 0 DDAERO CCN(CC(C)(C)C[NH3+])S(=O)(=O)N(C)C1CCCCC1 ZINC000093878119 193322580 /nfs/dbraw/zinc/32/25/80/193322580.db2.gz RSBXACDPPRUZBZ-UHFFFAOYSA-N 1 0 305.488 1.803 10 0 DDAERO CCCN(CC1CC[NH2+]CC1)S(=O)(=O)c1c[nH]c(C)n1 ZINC000094024003 193339128 /nfs/dbraw/zinc/33/91/28/193339128.db2.gz RKPZHKCZDXTTMG-UHFFFAOYSA-N 1 0 300.428 1.118 10 0 DDAERO O=S(=O)(c1cncc(F)c1)N(CC1CC[NH2+]CC1)C1CC1 ZINC000094024164 193339373 /nfs/dbraw/zinc/33/93/73/193339373.db2.gz YBHZDVXNFWRJMI-UHFFFAOYSA-N 1 0 313.398 1.373 10 0 DDAERO CCC[NH2+][C@@H]1[C@H](S(=O)(=O)CCC(=O)OC)CCCC1(C)C ZINC000094281737 193355877 /nfs/dbraw/zinc/35/58/77/193355877.db2.gz TUHCTJMXEJCRNR-TZMCWYRMSA-N 1 0 319.467 1.911 10 0 DDAERO CC[NH2+][C@@H]1[C@@H](S(=O)(=O)CC(=O)OCC)CCCC1(C)C ZINC000094281775 193356316 /nfs/dbraw/zinc/35/63/16/193356316.db2.gz UFBGEHVXMUYLJY-WCQYABFASA-N 1 0 305.440 1.521 10 0 DDAERO CN(CCS(C)(=O)=O)C[C@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000094298492 193357757 /nfs/dbraw/zinc/35/77/57/193357757.db2.gz BQHHPFGJHAHHGS-HNNXBMFYSA-N 1 0 312.479 1.960 10 0 DDAERO CCC[NH2+][C@@H](C)c1sc(N(C)CCS(C)(=O)=O)nc1C ZINC000094301110 193358996 /nfs/dbraw/zinc/35/89/96/193358996.db2.gz FGOAEVZCPDZQBR-JTQLQIEISA-N 1 0 319.496 1.993 10 0 DDAERO CCS(=O)(=O)CCCOc1c(F)cc(CC[NH3+])cc1F ZINC000094349771 193363328 /nfs/dbraw/zinc/36/33/28/193363328.db2.gz HCLBKSSIIWXFDG-UHFFFAOYSA-N 1 0 307.362 1.670 10 0 DDAERO [NH3+]CCc1cc(F)c(OCC(=O)NCC(F)(F)F)c(F)c1 ZINC000094349825 193363540 /nfs/dbraw/zinc/36/35/40/193363540.db2.gz WGVZHWAXZWLOFM-UHFFFAOYSA-N 1 0 312.238 1.523 10 0 DDAERO CCS(=O)(=O)CCOc1ccc(C[NH2+]C(C)(C)C)nc1 ZINC000094211806 193349422 /nfs/dbraw/zinc/34/94/22/193349422.db2.gz JUKSRNGYRFLNRR-UHFFFAOYSA-N 1 0 300.424 1.783 10 0 DDAERO CCOC(OCC)[C@H]([NH2+]C)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094643047 193388607 /nfs/dbraw/zinc/38/86/07/193388607.db2.gz OCEIISSFMWUNGS-FRRDWIJNSA-N 1 0 307.456 1.577 10 0 DDAERO CCC[NH2+]CCCS(=O)(=O)N1C[C@H]2CCCCN2C[C@@H]1C ZINC000094445669 193371597 /nfs/dbraw/zinc/37/15/97/193371597.db2.gz OIQHLKSTNPGNGO-LSDHHAIUSA-N 1 0 317.499 1.265 10 0 DDAERO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ccc(Br)cn2)O1 ZINC000094564906 193380507 /nfs/dbraw/zinc/38/05/07/193380507.db2.gz ZLMDNBIFRHZHBM-BDAKNGLRSA-N 1 0 300.156 1.289 10 0 DDAERO [NH3+]C[C@@H]1CC[C@H](C(=O)Nc2ccc3c(c2)OC(F)(F)O3)O1 ZINC000094563407 193380640 /nfs/dbraw/zinc/38/06/40/193380640.db2.gz RXGDKDJCYUBDMM-WCBMZHEXSA-N 1 0 300.261 1.453 10 0 DDAERO CCOCCCN(CC(F)(F)F)C(=O)[C@H]1CC[C@H](C[NH3+])O1 ZINC000094568435 193380677 /nfs/dbraw/zinc/38/06/77/193380677.db2.gz KBPKCAZFJMZSHN-GHMZBOCLSA-N 1 0 312.332 1.310 10 0 DDAERO Cc1ccsc1CNS(=O)(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000094886777 193405011 /nfs/dbraw/zinc/40/50/11/193405011.db2.gz QKZYPXRZSYFUFV-NSHDSACASA-N 1 0 303.453 1.062 10 0 DDAERO COc1ncnc2c1[nH]c(=S)n2C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000094739051 193394778 /nfs/dbraw/zinc/39/47/78/193394778.db2.gz SGFZPNVLULTVRR-SNVBAGLBSA-N 1 0 307.423 1.854 10 0 DDAERO NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000094749125 193395221 /nfs/dbraw/zinc/39/52/21/193395221.db2.gz LFONNEZDVHNRRL-STQMWFEESA-N 1 0 311.407 1.180 10 0 DDAERO CC(C)[NH2+]Cc1ccc(CN(C)[C@@H]2CCS(=O)(=O)C2)nc1 ZINC000094757032 193395272 /nfs/dbraw/zinc/39/52/72/193395272.db2.gz JDEQFVURINBFNV-OAHLLOKOSA-N 1 0 311.451 1.199 10 0 DDAERO CCC1(CC)CCN(S(=O)(=O)c2c(C)n[nH]c2C[NH3+])C1 ZINC000094815101 193399969 /nfs/dbraw/zinc/39/99/69/193399969.db2.gz CZKYRKRMKRXRSG-UHFFFAOYSA-N 1 0 300.428 1.378 10 0 DDAERO CN(C)CC[NH2+]CC(=O)Nc1ccccc1Br ZINC000020057007 182184171 /nfs/dbraw/zinc/18/41/71/182184171.db2.gz KIZZZOOQTCMJCZ-UHFFFAOYSA-N 1 0 300.200 1.539 10 0 DDAERO COc1ccccc1CNS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000021517562 182277104 /nfs/dbraw/zinc/27/71/04/182277104.db2.gz MPTSAZLTCLTWFT-UHFFFAOYSA-N 1 0 306.387 1.632 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000021812203 182291986 /nfs/dbraw/zinc/29/19/86/182291986.db2.gz FNNWIISLQZOFOJ-UHFFFAOYSA-N 1 0 306.343 1.675 10 0 DDAERO C[NH2+]C[C@H]1COCCN1c1ncc(C)cc1Br ZINC000097847233 193763972 /nfs/dbraw/zinc/76/39/72/193763972.db2.gz SLTNNHRPIHENST-JTQLQIEISA-N 1 0 300.200 1.577 10 0 DDAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](C)c2cccnc2)CC1 ZINC000176452895 299466368 /nfs/dbraw/zinc/46/63/68/299466368.db2.gz NYHDFXQQQNQKNI-GJZGRUSLSA-N 1 0 319.449 1.736 10 0 DDAERO CCC[C@@H](C(=O)NCCc1cccc(C(=O)N(C)C)c1)[NH+](C)C ZINC000162277466 248317595 /nfs/dbraw/zinc/31/75/95/248317595.db2.gz NMORDJYYMJYKFR-INIZCTEOSA-N 1 0 319.449 1.777 10 0 DDAERO COc1ccc([C@H](CO)N2CC[NH2+]CC2)cc1Br ZINC000038120946 182993021 /nfs/dbraw/zinc/99/30/21/182993021.db2.gz PBCVYLGGFQVBTN-LBPRGKRZSA-N 1 0 315.211 1.396 10 0 DDAERO CCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2[NH3+])cc1C ZINC000038050455 182981854 /nfs/dbraw/zinc/98/18/54/182981854.db2.gz HZAYKIBPCZJMPB-KGLIPLIRSA-N 1 0 312.435 1.942 10 0 DDAERO CNC(=O)C[NH+]1CCC(Cn2c(C)nc3ccccc32)CC1 ZINC000038535775 183001719 /nfs/dbraw/zinc/00/17/19/183001719.db2.gz ZIWDTMNHXQPMHK-UHFFFAOYSA-N 1 0 300.406 1.803 10 0 DDAERO CNC(=O)c1cc(NC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)ccc1Cl ZINC000040634318 183112380 /nfs/dbraw/zinc/11/23/80/183112380.db2.gz HUKSAOBWJXIDKN-BXKDBHETSA-N 1 0 311.769 1.015 10 0 DDAERO Cc1cccc(CN(C2CC2)S(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000040860259 183143805 /nfs/dbraw/zinc/14/38/05/183143805.db2.gz RPFDJIVGJPSRBD-UHFFFAOYSA-N 1 0 309.435 1.109 10 0 DDAERO CC(C)[C@@H](CNS(=O)(=O)c1cnc(Cl)s1)[NH+](C)C ZINC000040803524 183136213 /nfs/dbraw/zinc/13/62/13/183136213.db2.gz HRWAELPIMHDSCS-MRVPVSSYSA-N 1 0 311.860 1.661 10 0 DDAERO Nc1cc(N)[nH+]c(SCC(=O)Nc2ccc(Cl)cc2N)n1 ZINC000041023420 183156455 /nfs/dbraw/zinc/15/64/55/183156455.db2.gz MUJFIQOBHXKLTF-UHFFFAOYSA-N 1 0 324.797 1.607 10 0 DDAERO C[C@@H]([NH3+])c1cccc(NC(=O)NC2CCS(=O)(=O)CC2)c1 ZINC000041716665 183218307 /nfs/dbraw/zinc/21/83/07/183218307.db2.gz WRCOSVACSOWFBU-SNVBAGLBSA-N 1 0 311.407 1.405 10 0 DDAERO CC[NH2+][C@@H](C)c1ccc(NC(=O)NCCS(C)(=O)=O)cc1 ZINC000041707448 183218697 /nfs/dbraw/zinc/21/86/97/183218697.db2.gz FVJSBKZCOISLEO-NSHDSACASA-N 1 0 313.423 1.523 10 0 DDAERO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccnc(Cl)c1 ZINC000041679096 183215904 /nfs/dbraw/zinc/21/59/04/183215904.db2.gz WUAILTVBDOAEPU-JTQLQIEISA-N 1 0 305.831 1.744 10 0 DDAERO CCN(C[C@H](C)C[NH3+])c1ccccc1S(=O)(=O)NC1CC1 ZINC000042442366 183271392 /nfs/dbraw/zinc/27/13/92/183271392.db2.gz XTDHPXVPGCQVCQ-GFCCVEGCSA-N 1 0 311.451 1.548 10 0 DDAERO CCC(CC)N(CCO)S(=O)(=O)c1ccccc1C[NH3+] ZINC000042514346 183278753 /nfs/dbraw/zinc/27/87/53/183278753.db2.gz WJHIVAWLACEOOM-UHFFFAOYSA-N 1 0 300.424 1.317 10 0 DDAERO CNC(=O)[C@@H](C)[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000042341890 183256558 /nfs/dbraw/zinc/25/65/58/183256558.db2.gz HMRISJKHPYOYCM-MRVPVSSYSA-N 1 0 301.184 1.682 10 0 DDAERO CC(C)([NH3+])C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000042372725 183261083 /nfs/dbraw/zinc/26/10/83/183261083.db2.gz WIUUVHLSMYCUEZ-UHFFFAOYSA-N 1 0 315.167 1.896 10 0 DDAERO CCC(CC)N(CCOC)C1(C[NH3+])CCS(=O)(=O)CC1 ZINC000042615012 183291362 /nfs/dbraw/zinc/29/13/62/183291362.db2.gz LILGOHDRLHIMOX-UHFFFAOYSA-N 1 0 306.472 1.030 10 0 DDAERO COC(=O)CN(C(C)C)S(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000042718675 183301972 /nfs/dbraw/zinc/30/19/72/183301972.db2.gz DQHKXWKMNZEPHP-LLVKDONJSA-N 1 0 314.407 1.278 10 0 DDAERO CCN(CC(F)(F)F)S(=O)(=O)c1ccc(C[NH2+]C)cc1 ZINC000042782344 183308262 /nfs/dbraw/zinc/30/82/62/183308262.db2.gz BNCYXWQEGATVHJ-UHFFFAOYSA-N 1 0 310.341 1.979 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)NC[C@@H]2CCCCO2)cc1 ZINC000042825864 183312795 /nfs/dbraw/zinc/31/27/95/183312795.db2.gz XPQYKZFYGJMRBF-AWEZNQCLSA-N 1 0 312.435 1.644 10 0 DDAERO CC[C@H]([NH3+])[C@H](c1ccccc1OC)N1CCS(=O)(=O)CC1 ZINC000043097567 183338045 /nfs/dbraw/zinc/33/80/45/183338045.db2.gz XURYJOPODPRYQS-ZFWWWQNUSA-N 1 0 312.435 1.204 10 0 DDAERO C[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCS(=O)(=O)CC1 ZINC000043252828 183348317 /nfs/dbraw/zinc/34/83/17/183348317.db2.gz DAIXUMBVVFSQCV-KWQFWETISA-N 1 0 308.856 1.520 10 0 DDAERO NC(=S)c1cc2c(nc1N[C@H]1C[NH+]3CCC1CC3)CCC2 ZINC000043408353 183359374 /nfs/dbraw/zinc/35/93/74/183359374.db2.gz RGTYYQWFAWCJJU-AWEZNQCLSA-N 1 0 302.447 1.711 10 0 DDAERO CC(C)N(CC(N)=O)[C@@H](C[NH3+])c1ccccc1Br ZINC000043093222 183336242 /nfs/dbraw/zinc/33/62/42/183336242.db2.gz YAIPDKKCWFUHCB-LBPRGKRZSA-N 1 0 314.227 1.645 10 0 DDAERO CC[C@H]([NH3+])Cc1ccc(OCC(=O)NCCOC)c(Cl)c1 ZINC000043492556 183367359 /nfs/dbraw/zinc/36/73/59/183367359.db2.gz DXFDHZFWBSUAJM-LBPRGKRZSA-N 1 0 314.813 1.761 10 0 DDAERO Oc1ccc(-n2nnnc2SCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000043499620 183367497 /nfs/dbraw/zinc/36/74/97/183367497.db2.gz NSFVHVOVNGLUPH-NSHDSACASA-N 1 0 305.407 1.992 10 0 DDAERO C[NH+](C)C(C)(C)CNS(=O)(=O)c1ccc(Cl)cc1N ZINC000043411120 183360249 /nfs/dbraw/zinc/36/02/49/183360249.db2.gz HQSMYJXMCMDPBO-UHFFFAOYSA-N 1 0 305.831 1.541 10 0 DDAERO C[C@@H](O)c1ccc(S(=O)(=O)NCC(C)(C)[NH+](C)C)cc1 ZINC000043412612 183361179 /nfs/dbraw/zinc/36/11/79/183361179.db2.gz SINDBFMQBGXGAO-LLVKDONJSA-N 1 0 300.424 1.358 10 0 DDAERO Cc1ccc(NS(=O)(=O)N2CC[NH2+]CC2)cc1C(F)(F)F ZINC000044270712 183403349 /nfs/dbraw/zinc/40/33/49/183403349.db2.gz WSYKYKVLGILSEQ-UHFFFAOYSA-N 1 0 323.340 1.576 10 0 DDAERO COc1ccnc(CN2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c1OC ZINC000284714974 218145261 /nfs/dbraw/zinc/14/52/61/218145261.db2.gz HIEWBNHXYHXITG-YUELXQCFSA-N 1 0 322.405 1.461 10 0 DDAERO O=C(NCCc1cccc(O)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105230179 194087212 /nfs/dbraw/zinc/08/72/12/194087212.db2.gz YMRAABPVLAOEFC-OAHLLOKOSA-N 1 0 303.406 1.814 10 0 DDAERO CCCN(CCC)C(=O)CN1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000105825987 194137998 /nfs/dbraw/zinc/13/79/98/194137998.db2.gz YGGUZTRVRUIJSJ-HZPDHXFCSA-N 1 0 313.486 1.412 10 0 DDAERO CC[C@H]1CN(CC(=O)N(C(C)C)C(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000105825185 194138412 /nfs/dbraw/zinc/13/84/12/194138412.db2.gz GOYSUYLUABKQOL-CVEARBPZSA-N 1 0 313.486 1.409 10 0 DDAERO Cc1cc(C)cc(OC[C@@H](O)CN2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000105904574 194167000 /nfs/dbraw/zinc/16/70/00/194167000.db2.gz WSWJLFHWZLWAHG-FUHWJXTLSA-N 1 0 322.449 1.306 10 0 DDAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)Nc1ccc(F)c(F)c1 ZINC000105932584 194172205 /nfs/dbraw/zinc/17/22/05/194172205.db2.gz WTMISXDVWHIUPJ-JQWIXIFHSA-N 1 0 313.348 1.212 10 0 DDAERO CCN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)C1CCOCC1 ZINC000106490364 194219028 /nfs/dbraw/zinc/21/90/28/194219028.db2.gz QCYDZIVUYPZGPM-FUNVUKJBSA-N 1 0 302.440 1.100 10 0 DDAERO CCCn1cc(S(=O)(=O)N2CCCC[C@@H]2C[NH3+])nc1C ZINC000050266084 183781346 /nfs/dbraw/zinc/78/13/46/183781346.db2.gz AZOWUCIYJYPHSA-GFCCVEGCSA-N 1 0 300.428 1.103 10 0 DDAERO COc1ccc(CN2CC[NH+](CC(N)=S)CC2)cc1OC ZINC000109442604 194263545 /nfs/dbraw/zinc/26/35/45/194263545.db2.gz DFVARRSMHPQFQV-UHFFFAOYSA-N 1 0 309.435 1.108 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN(C(=O)c2cscn2)CC1 ZINC000109465010 194266152 /nfs/dbraw/zinc/26/61/52/194266152.db2.gz TXTJRCRDHMZVCA-LLVKDONJSA-N 1 0 312.464 1.356 10 0 DDAERO CCC[NH2+][C@@H](Cc1nc(CS(C)(=O)=O)no1)C(C)(C)C ZINC000109512602 194270266 /nfs/dbraw/zinc/27/02/66/194270266.db2.gz WNTWGICQAVAFLS-JTQLQIEISA-N 1 0 303.428 1.571 10 0 DDAERO CCc1ccc([C@@H](C[NH3+])N(C)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000051719124 183835278 /nfs/dbraw/zinc/83/52/78/183835278.db2.gz HAZOUNXYYVXPLN-ZYHUDNBSSA-N 1 0 302.465 1.429 10 0 DDAERO [NH3+]Cc1ccc(CS(=O)(=O)N2CCC[C@@H]2CCCO)cc1 ZINC000052763458 183870753 /nfs/dbraw/zinc/87/07/53/183870753.db2.gz 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C[C@@H]1CC[C@H](C(=O)N2CCN(CC(F)(F)F)CC2)C[C@@H]1[NH3+] ZINC000061950844 184198420 /nfs/dbraw/zinc/19/84/20/184198420.db2.gz ISBUOTGLHZNJCZ-WOPDTQHZSA-N 1 0 307.360 1.456 10 0 DDAERO CN(Cc1cc(Br)cs1)[C@@]1(C[NH3+])CCN(C)C1 ZINC000061990597 184200053 /nfs/dbraw/zinc/20/00/53/184200053.db2.gz JDCKBSJNKLEKIH-GFCCVEGCSA-N 1 0 318.284 1.975 10 0 DDAERO Cc1nnc(NC[C@@H](C)C[NH+]2CCCC2)c(C(N)=S)c1C ZINC000062080402 184205114 /nfs/dbraw/zinc/20/51/14/184205114.db2.gz BMQRTZMWYXDCMN-SNVBAGLBSA-N 1 0 307.467 1.871 10 0 DDAERO CCCCCC[C@](C)(C[NH3+])N1CCN(S(C)(=O)=O)CC1 ZINC000062082533 184205134 /nfs/dbraw/zinc/20/51/34/184205134.db2.gz FYRGQHVYKZNBRT-CQSZACIVSA-N 1 0 305.488 1.251 10 0 DDAERO COCC[NH2+]Cc1cc(Cl)c(OCCCO)c(OC)c1 ZINC000062727898 184250844 /nfs/dbraw/zinc/25/08/44/184250844.db2.gz GKMUYUKDGPSRDC-UHFFFAOYSA-N 1 0 303.786 1.846 10 0 DDAERO C[C@@H]1CCCN(S(=O)(=O)N2CC[NH2+]Cc3ccccc32)C1 ZINC000062818680 184254072 /nfs/dbraw/zinc/25/40/72/184254072.db2.gz GPYMZSSRVBEHQR-CYBMUJFWSA-N 1 0 309.435 1.573 10 0 DDAERO CCC1(CC)CCN(S(=O)(=O)CCN2CC[NH2+]CC2)CC1 ZINC000062960074 184262664 /nfs/dbraw/zinc/26/26/64/184262664.db2.gz IWZDROVYLWPKHP-UHFFFAOYSA-N 1 0 317.499 1.124 10 0 DDAERO CC[C@]1(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)CC[NH2+]C1 ZINC000062893167 184258980 /nfs/dbraw/zinc/25/89/80/184258980.db2.gz HUXMOESWUXYTNX-AWEZNQCLSA-N 1 0 311.407 1.386 10 0 DDAERO CCNC(=O)[C@@H](C)Oc1ccc(CC[NH3+])cc1Br ZINC000062703841 184247954 /nfs/dbraw/zinc/24/79/54/184247954.db2.gz DVBHJQJOZGWELU-SECBINFHSA-N 1 0 315.211 1.854 10 0 DDAERO CCCn1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])nc1C ZINC000063193930 184277519 /nfs/dbraw/zinc/27/75/19/184277519.db2.gz BDZWCLRTLAOXIC-DGCLKSJQSA-N 1 0 314.455 1.492 10 0 DDAERO CC(C)[NH2+]C[C@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 ZINC000063138656 184273372 /nfs/dbraw/zinc/27/33/72/184273372.db2.gz LOCZLQCVLQPBMX-CQSZACIVSA-N 1 0 303.472 1.427 10 0 DDAERO COCCC[NH2+]CC(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000066068340 184386206 /nfs/dbraw/zinc/38/62/06/184386206.db2.gz PADBTWMIOGQSLZ-UHFFFAOYSA-N 1 0 307.394 1.846 10 0 DDAERO CC(C)[NH2+]CC1CCN(S(=O)(=O)N2CCCC[C@@H]2C)CC1 ZINC000113669599 194608866 /nfs/dbraw/zinc/60/88/66/194608866.db2.gz UZMZYAAWHISKOX-AWEZNQCLSA-N 1 0 317.499 1.816 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCc1ccc(O)c(OC)c1 ZINC000114822456 194694941 /nfs/dbraw/zinc/69/49/41/194694941.db2.gz KCVYNCSBQLJMTQ-ZDUSSCGKSA-N 1 0 323.437 1.973 10 0 DDAERO COC(=O)C[C@H](NC(=O)[C@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000158252854 197256990 /nfs/dbraw/zinc/25/69/90/197256990.db2.gz XNYWYKYFTXPLTA-KWQFWETISA-N 1 0 318.295 1.773 10 0 DDAERO CC[NH+](CC)CCNC(=O)N1CCC(Cn2cccn2)CC1 ZINC000154967842 197009177 /nfs/dbraw/zinc/00/91/77/197009177.db2.gz DRXWYSFARBQVKF-UHFFFAOYSA-N 1 0 307.442 1.647 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(Cc2c[nH]nc2-c2cccnc2)C[C@@H]1C ZINC000120652681 195210154 /nfs/dbraw/zinc/21/01/54/195210154.db2.gz VOHQQSMYGKECBS-UONOGXRCSA-N 1 0 315.421 1.359 10 0 DDAERO CC(C)C[N@@H+]1C[C@@H]2OCC[C@@H]2[C@@H](C(=O)NCc2ccco2)C1 ZINC000248253814 257107121 /nfs/dbraw/zinc/10/71/21/257107121.db2.gz TWFUUHVDDUWQFN-PMPSAXMXSA-N 1 0 306.406 1.889 10 0 DDAERO Cc1noc(C)c1C[N@@H+]1C[C@H](C(=O)NC2CC2)C[C@@H]2OCC[C@@H]21 ZINC000248015163 257111807 /nfs/dbraw/zinc/11/18/07/257111807.db2.gz KDQNFGYZKOVWIG-KCXAZCMYSA-N 1 0 319.405 1.549 10 0 DDAERO COc1ccccc1C[N@@H+]1C[C@H]2COC[C@@]2(c2nnc(C)o2)C1 ZINC000248010656 257111891 /nfs/dbraw/zinc/11/18/91/257111891.db2.gz IUJZOVFRBXDGPQ-YOEHRIQHSA-N 1 0 315.373 1.787 10 0 DDAERO C[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@]12CCN(c1ccsc1)C2=O ZINC000247965957 257112956 /nfs/dbraw/zinc/11/29/56/257112956.db2.gz GLDHMXWUNFGOAH-LRDDRELGSA-N 1 0 321.446 1.511 10 0 DDAERO O=C(N1CCOCC1)[C@]12CCO[C@H]1CC[N@@H+](C1CCCCC1)C2 ZINC000247721631 257119072 /nfs/dbraw/zinc/11/90/72/257119072.db2.gz BARTYCKIBZINFW-WMZOPIPTSA-N 1 0 322.449 1.659 10 0 DDAERO O=C1CCCN1C[C@@H]1OC[C@H]2CC[N@H+](Cc3ccoc3)C[C@@H]12 ZINC000253616725 257104822 /nfs/dbraw/zinc/10/48/22/257104822.db2.gz AZAHQBRAPWXYIG-OAGGEKHMSA-N 1 0 304.390 1.739 10 0 DDAERO COC(=O)CSc1cncc(NC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000302242539 533583138 /nfs/dbraw/zinc/58/31/38/533583138.db2.gz YOONZXWKTVCPEF-NSHDSACASA-N 1 0 310.423 1.495 10 0 DDAERO c1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3COCCN3)C2)nc1 ZINC000262037263 285484527 /nfs/dbraw/zinc/48/45/27/285484527.db2.gz YDXUTZDFNRFHDG-HZMVEIRTSA-N 1 0 316.449 1.407 10 0 DDAERO C[C@@H]1CN(c2ccccc2S(=O)(=O)C(F)F)C[C@H](C)[NH2+]1 ZINC000053712114 134770900 /nfs/dbraw/zinc/77/09/00/134770900.db2.gz PFDNSUCSEIMYKD-AOOOYVTPSA-N 1 0 304.362 1.870 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[S@@](=O)C(C)(C)C ZINC000120115962 297093237 /nfs/dbraw/zinc/09/32/37/297093237.db2.gz XVEHXDLTLDYZEU-ZNLKAECVSA-N 1 0 315.483 1.412 10 0 DDAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1ccc(Br)c(Cl)c1 ZINC000263123484 484274190 /nfs/dbraw/zinc/27/41/90/484274190.db2.gz BCLDLXLJRDUISG-CABZTGNLSA-N 1 0 319.630 1.772 10 0 DDAERO CCn1c(C)nnc1CN1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC000261650247 407568098 /nfs/dbraw/zinc/56/80/98/407568098.db2.gz GGGAHENNTBPKNY-OAHLLOKOSA-N 1 0 315.421 1.762 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000068223838 406624985 /nfs/dbraw/zinc/62/49/85/406624985.db2.gz TVUHVPVDGOCSKA-GFCCVEGCSA-N 1 0 304.394 1.562 10 0 DDAERO O=C(c1cccnc1-n1cccn1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000071839839 406851738 /nfs/dbraw/zinc/85/17/38/406851738.db2.gz ZOCZETGQGMENHE-AWEZNQCLSA-N 1 0 311.389 1.578 10 0 DDAERO CC[NH+]1CCC(CCNC(=O)NC[C@H]2CCCC[C@H]2O)CC1 ZINC000074714051 406918031 /nfs/dbraw/zinc/91/80/31/406918031.db2.gz DBPSCKWFMNUQBG-HZPDHXFCSA-N 1 0 311.470 1.959 10 0 DDAERO CCCOc1nc(N)ncc1C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000033866693 406963247 /nfs/dbraw/zinc/96/32/47/406963247.db2.gz QBVKSPHVNUWFAT-LLVKDONJSA-N 1 0 307.398 1.062 10 0 DDAERO CN1CCO[C@@H](C[NH2+]Cc2ccc(Br)cn2)C1 ZINC000078441498 407028409 /nfs/dbraw/zinc/02/84/09/407028409.db2.gz GNZZBXVARPTTNR-LBPRGKRZSA-N 1 0 300.200 1.264 10 0 DDAERO CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCC[NH+](C)C ZINC000045164928 407041459 /nfs/dbraw/zinc/04/14/59/407041459.db2.gz RFJDBXNCKLCPTJ-UKRRQHHQSA-N 1 0 305.422 1.509 10 0 DDAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)NCC[NH+]1CCCCC1 ZINC000046854910 407064133 /nfs/dbraw/zinc/06/41/33/407064133.db2.gz QCMCWDICTJRVBD-AWEZNQCLSA-N 1 0 318.421 1.799 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000180164398 306694152 /nfs/dbraw/zinc/69/41/52/306694152.db2.gz HMFQJYRBEZJCIE-OAHLLOKOSA-N 1 0 308.470 1.606 10 0 DDAERO C[NH2+][C@H](C)C(=O)N(C)CCOc1ccc(Br)cc1 ZINC000054074732 407177944 /nfs/dbraw/zinc/17/79/44/407177944.db2.gz DOKVRRHMPYRYOB-SNVBAGLBSA-N 1 0 315.211 1.894 10 0 DDAERO CC(=O)Oc1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1 ZINC000124066054 407347834 /nfs/dbraw/zinc/34/78/34/407347834.db2.gz TVLQFCQJWNYYJP-INIZCTEOSA-N 1 0 304.390 1.518 10 0 DDAERO CCOC(=O)CSc1cncc(N2CC[C@H]([NH+](C)C)C2)n1 ZINC000124219550 407351366 /nfs/dbraw/zinc/35/13/66/407351366.db2.gz OKEHJSRKUWKLCG-NSHDSACASA-N 1 0 310.423 1.272 10 0 DDAERO CCCCC(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105818233 407355444 /nfs/dbraw/zinc/35/54/44/407355444.db2.gz YKIGANOCWHTLFE-INIZCTEOSA-N 1 0 311.470 1.430 10 0 DDAERO Cn1cc(CN2CCC[N@H+](C[C@H](O)COC(C)(C)C)CC2)cn1 ZINC000105894587 407357848 /nfs/dbraw/zinc/35/78/48/407357848.db2.gz HINLRJOSZZEYAH-INIZCTEOSA-N 1 0 324.469 1.104 10 0 DDAERO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccn1)[C@@H]1CCCO1 ZINC000107389014 407373352 /nfs/dbraw/zinc/37/33/52/407373352.db2.gz LUONQXSHRNFQNY-ZBFHGGJFSA-N 1 0 320.437 1.722 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccn(C)c1=O ZINC000126096168 407404691 /nfs/dbraw/zinc/40/46/91/407404691.db2.gz IMGIVIHGKSXZKQ-CYBMUJFWSA-N 1 0 306.410 1.627 10 0 DDAERO CC[N@H+](CCNC(=O)N1CCO[C@@H](c2nccs2)C1)C1CC1 ZINC000111849940 407418253 /nfs/dbraw/zinc/41/82/53/407418253.db2.gz LYMZCUYDWANWFW-CYBMUJFWSA-N 1 0 324.450 1.710 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(OC)c(O)c(OC)c1 ZINC000127223993 407431549 /nfs/dbraw/zinc/43/15/49/407431549.db2.gz SOVSSOCSJWZWAX-CYBMUJFWSA-N 1 0 322.405 1.966 10 0 DDAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)Nc1ccc(Cl)cc1 ZINC000112548500 407432258 /nfs/dbraw/zinc/43/22/58/407432258.db2.gz LGLMPLPBYBKMLU-RISCZKNCSA-N 1 0 311.813 1.587 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CN(C)C(=O)c1cccs1 ZINC000113227567 407476543 /nfs/dbraw/zinc/47/65/43/407476543.db2.gz HMGGNQSGUVZXLW-QWHCGFSZSA-N 1 0 321.446 1.515 10 0 DDAERO CCN(CC)C(=O)CCCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113228665 407477014 /nfs/dbraw/zinc/47/70/14/407477014.db2.gz FSZZHHZUZGJEIG-LSDHHAIUSA-N 1 0 309.454 1.720 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCC1(CO)CCCC1 ZINC000185592747 407457655 /nfs/dbraw/zinc/45/76/55/407457655.db2.gz UWSPCVRXGCJJLF-OAHLLOKOSA-N 1 0 311.470 1.959 10 0 DDAERO CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261705272 407587246 /nfs/dbraw/zinc/58/72/46/407587246.db2.gz IJTHSGGMJBURTJ-RRFJBIMHSA-N 1 0 312.454 1.698 10 0 DDAERO Cn1cc(CN2CCO[C@@H](C[NH+](C)C)C2)c(-c2ccncc2)n1 ZINC000128222260 407511092 /nfs/dbraw/zinc/51/10/92/407511092.db2.gz MNFWNPROHDATOU-INIZCTEOSA-N 1 0 315.421 1.245 10 0 DDAERO C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000151928330 407528182 /nfs/dbraw/zinc/52/81/82/407528182.db2.gz BDIWBLVYKDOZNU-STQMWFEESA-N 1 0 311.426 1.454 10 0 DDAERO COc1ccc(CCC(=O)N2CC[C@H]([NH+](C)C)C2)cc1OC ZINC000170861402 407534496 /nfs/dbraw/zinc/53/44/96/407534496.db2.gz UZFDTBSCYIKEPB-AWEZNQCLSA-N 1 0 306.406 1.799 10 0 DDAERO C[C@@H]([NH3+])CCNC(=O)CCCNC(=O)c1ccc(F)cc1F ZINC000178664946 407536822 /nfs/dbraw/zinc/53/68/22/407536822.db2.gz LGQIBHRWFNFMBJ-SNVBAGLBSA-N 1 0 313.348 1.328 10 0 DDAERO O=C(c1csc(-c2cnccn2)n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000170877309 407540299 /nfs/dbraw/zinc/54/02/99/407540299.db2.gz WIISRSKBKHQJPD-LLVKDONJSA-N 1 0 315.402 1.520 10 0 DDAERO [NH3+][C@@H]1CCC[C@H](C(=O)NC2CCN(CC(F)(F)F)CC2)C1 ZINC000178686329 407546460 /nfs/dbraw/zinc/54/64/60/407546460.db2.gz KSNZGLIBZDRJLI-WDEREUQCSA-N 1 0 307.360 1.647 10 0 DDAERO C[C@H](Sc1ccccn1)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000152379689 407625564 /nfs/dbraw/zinc/62/55/64/407625564.db2.gz JESVHCAGEKPGNX-STQMWFEESA-N 1 0 309.435 1.351 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000152395890 407628722 /nfs/dbraw/zinc/62/87/22/407628722.db2.gz HQOPVQNCXPEPKZ-QGZVFWFLSA-N 1 0 322.497 1.844 10 0 DDAERO CCO[C@H]1C[C@H]([NH2+]CCCc2cnn(C)c2)C12CCOCC2 ZINC000186310035 407634831 /nfs/dbraw/zinc/63/48/31/407634831.db2.gz UXSBCPSXHDAMMH-HOTGVXAUSA-N 1 0 307.438 1.917 10 0 DDAERO CCO[C@H]1C[C@H]([NH2+]CCSCCCO)C12CCOCC2 ZINC000186324738 407639221 /nfs/dbraw/zinc/63/92/21/407639221.db2.gz VOARKHVLZNPNMP-KBPBESRZSA-N 1 0 303.468 1.666 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C(C)C)N1CCCC1=O ZINC000152563347 407654127 /nfs/dbraw/zinc/65/41/27/407654127.db2.gz WKJCKUULNUBNEH-GDBMZVCRSA-N 1 0 311.470 1.726 10 0 DDAERO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2nnnn2C(C)C)CC1 ZINC000186432364 407666587 /nfs/dbraw/zinc/66/65/87/407666587.db2.gz SBWHUEXOSHPOGB-LBPRGKRZSA-N 1 0 324.429 1.601 10 0 DDAERO Cc1noc(C2CCC(NC(=O)C3(C[NH3+])CCOCC3)CC2)n1 ZINC000261918409 407672443 /nfs/dbraw/zinc/67/24/43/407672443.db2.gz JZZISENLBXOJEB-UHFFFAOYSA-N 1 0 322.409 1.276 10 0 DDAERO Cc1cccc(NCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)n1 ZINC000261928150 407675366 /nfs/dbraw/zinc/67/53/66/407675366.db2.gz LJJCNUKOOMKYNJ-OAGGEKHMSA-N 1 0 304.438 1.549 10 0 DDAERO C[C@H]1CN(Cc2ccccc2OCC(=O)N2CCCC2)C[C@@H]1[NH3+] ZINC000261942974 407683004 /nfs/dbraw/zinc/68/30/04/407683004.db2.gz DYJOCJZUJWHAKO-HOCLYGCPSA-N 1 0 317.433 1.467 10 0 DDAERO Cc1ccc(CNC(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000171642322 407729982 /nfs/dbraw/zinc/72/99/82/407729982.db2.gz RLMJEZUPQVDPTM-OAHLLOKOSA-N 1 0 305.397 1.530 10 0 DDAERO [NH3+]CC(=O)Nc1ccc(Cl)cc1I ZINC000232212165 407702183 /nfs/dbraw/zinc/70/21/83/407702183.db2.gz OJNCIOXZUQRGJK-UHFFFAOYSA-N 1 0 310.522 1.842 10 0 DDAERO CC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)c1 ZINC000261990096 407705314 /nfs/dbraw/zinc/70/53/14/407705314.db2.gz SNCJQIKRZILIEC-RCCFBDPRSA-N 1 0 317.433 1.892 10 0 DDAERO COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000171582735 407711178 /nfs/dbraw/zinc/71/11/78/407711178.db2.gz KGOCJLHUPGRYLZ-OAHLLOKOSA-N 1 0 321.421 1.730 10 0 DDAERO FC(F)(F)c1nnc2ccc(NCC[C@@H]3CC[NH2+]C3)nn21 ZINC000236127762 407724381 /nfs/dbraw/zinc/72/43/81/407724381.db2.gz LTLLFXFQAJIGIT-QMMMGPOBSA-N 1 0 300.288 1.555 10 0 DDAERO CC(=O)c1ccccc1OCCN1CCO[C@H](C[NH+](C)C)C1 ZINC000171637785 407731077 /nfs/dbraw/zinc/73/10/77/407731077.db2.gz KNXLFISWRUVPHJ-OAHLLOKOSA-N 1 0 306.406 1.530 10 0 DDAERO O=C(c1ccc(C2CC2)cn1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262202327 407762850 /nfs/dbraw/zinc/76/28/50/407762850.db2.gz DEMHMFJOEBOUPD-OAHLLOKOSA-N 1 0 300.406 1.079 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)CCc2ccncc2)C[C@H]1CC ZINC000116769946 407774346 /nfs/dbraw/zinc/77/43/46/407774346.db2.gz XQQRMKSGXZYPNA-QGZVFWFLSA-N 1 0 319.449 1.974 10 0 DDAERO CCCN(C)c1ccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000116787383 407775279 /nfs/dbraw/zinc/77/52/79/407775279.db2.gz DEIADKKGOGVXGS-KRWDZBQOSA-N 1 0 319.449 1.935 10 0 DDAERO C[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccccc4)ns3)C[C@@H]21 ZINC000153166412 407769179 /nfs/dbraw/zinc/76/91/79/407769179.db2.gz RSVQFQLUIIYAQT-QWHCGFSZSA-N 1 0 302.403 1.724 10 0 DDAERO O=C(c1cc2c([nH]c1=O)CCCC2)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171792456 407769242 /nfs/dbraw/zinc/76/92/42/407769242.db2.gz ZBMCNKQEUDSYMO-CQSZACIVSA-N 1 0 315.417 1.564 10 0 DDAERO COc1cccc(CCC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000116797750 407781319 /nfs/dbraw/zinc/78/13/19/407781319.db2.gz BENGUROBCPMRLM-MRXNPFEDSA-N 1 0 306.406 1.417 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000262279546 407781879 /nfs/dbraw/zinc/78/18/79/407781879.db2.gz LOYWYHZZFPJCSB-ZENOOKHLSA-N 1 0 321.421 1.208 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1ccc(Oc2nccc(C)n2)cc1 ZINC000262311908 407793929 /nfs/dbraw/zinc/79/39/29/407793929.db2.gz PDIMMUHZRTVNTH-ZDUSSCGKSA-N 1 0 302.334 1.490 10 0 DDAERO CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)[C@@H]([NH3+])COC)c1 ZINC000262300311 407787860 /nfs/dbraw/zinc/78/78/60/407787860.db2.gz NTWYPFNNESOOTA-RISCZKNCSA-N 1 0 307.394 1.261 10 0 DDAERO COC(=O)C1CCC(C(=O)N2CCCC[C@@H]2C[NH+](C)C)CC1 ZINC000179494049 407795909 /nfs/dbraw/zinc/79/59/09/407795909.db2.gz IVKLVOTWHOQZCZ-YMAMQOFZSA-N 1 0 310.438 1.909 10 0 DDAERO C[N@H+](CCO)C1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000272168841 407803886 /nfs/dbraw/zinc/80/38/86/407803886.db2.gz GPDHNVXKCOYPBT-UHFFFAOYSA-N 1 0 303.328 1.993 10 0 DDAERO C[C@H](Cc1ccccc1F)NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117037845 407805878 /nfs/dbraw/zinc/80/58/78/407805878.db2.gz ZZNRDCDORIETDC-HIFRSBDPSA-N 1 0 323.412 1.729 10 0 DDAERO CO[C@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000117029688 407807899 /nfs/dbraw/zinc/80/78/99/407807899.db2.gz ACMHHOURJTXEJN-JKSUJKDBSA-N 1 0 321.421 1.346 10 0 DDAERO CC[C@@H](Cc1ccccc1)NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117044882 407810535 /nfs/dbraw/zinc/81/05/35/407810535.db2.gz GZGQGDOVBJAIIL-IRXDYDNUSA-N 1 0 319.449 1.980 10 0 DDAERO CN(C[C@@H](O)COCc1ccccc1)C(=O)C1([NH3+])CCCC1 ZINC000262427836 407832249 /nfs/dbraw/zinc/83/22/49/407832249.db2.gz IGMSOISGMMWXDP-OAHLLOKOSA-N 1 0 306.406 1.294 10 0 DDAERO CCOCCCNC(=O)N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000117469189 407839209 /nfs/dbraw/zinc/83/92/09/407839209.db2.gz JWIFRIOAYMUJOE-AWEZNQCLSA-N 1 0 301.431 1.165 10 0 DDAERO C[C@H](O)C1CCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000262527203 407857600 /nfs/dbraw/zinc/85/76/00/407857600.db2.gz PAPHPMOQYHOGSW-PLNCSYRRSA-N 1 0 310.438 1.138 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)C[C@H]2CCOc3ccccc32)CCO1 ZINC000117807673 407862151 /nfs/dbraw/zinc/86/21/51/407862151.db2.gz ILFHDKDLAMULTP-HUUCEWRRSA-N 1 0 318.417 1.732 10 0 DDAERO CC[C@H]1CN(C(=O)Nc2ncccc2C)CC[N@@H+]1C[C@@H](C)O ZINC000173272596 407872144 /nfs/dbraw/zinc/87/21/44/407872144.db2.gz RKJFXWSYKQEODI-KGLIPLIRSA-N 1 0 306.410 1.699 10 0 DDAERO CCC[C@@](C)([NH3+])C(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000262704358 407903548 /nfs/dbraw/zinc/90/35/48/407903548.db2.gz LDIKICPVLAXGTQ-QGZVFWFLSA-N 1 0 321.469 1.199 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCN1CCCC1=O ZINC000174609837 407969613 /nfs/dbraw/zinc/96/96/13/407969613.db2.gz AFWZBNOLQMJOSU-HUUCEWRRSA-N 1 0 322.453 1.267 10 0 DDAERO Cc1ccn(-c2ccc(NC[C@@H](O)C[NH+]3CCCCC3)nn2)n1 ZINC000174684086 407978480 /nfs/dbraw/zinc/97/84/80/407978480.db2.gz ZJJBBTIRBRQYDM-CQSZACIVSA-N 1 0 316.409 1.229 10 0 DDAERO Cc1cc(C)n(C[C@H]2CN(CCO[C@@H]3CCCCO3)CCO2)n1 ZINC000181692619 408027366 /nfs/dbraw/zinc/02/73/66/408027366.db2.gz HEPDAUFYMDMMTN-IAGOWNOFSA-N 1 0 323.437 1.744 10 0 DDAERO CC[C@H]1CN(Cc2nc3ccccc3[nH]2)CC[N@@H+]1C[C@H](C)O ZINC000245714775 408048343 /nfs/dbraw/zinc/04/83/43/408048343.db2.gz GQSGFXVGZAFQOG-KBPBESRZSA-N 1 0 302.422 1.840 10 0 DDAERO Cc1nn(C)c(C)c1CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000245492572 407996251 /nfs/dbraw/zinc/99/62/51/407996251.db2.gz JSQPVJIQCZQMOS-RISCZKNCSA-N 1 0 305.426 1.415 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccc(-n2cccn2)n1 ZINC000135410227 408012918 /nfs/dbraw/zinc/01/29/18/408012918.db2.gz XYIMFFSKVJQCRR-CQSZACIVSA-N 1 0 315.421 1.973 10 0 DDAERO CCCC(=O)N1CCC(c2nc([C@@H]3C[NH2+]CCN3C)no2)CC1 ZINC000263209174 408059845 /nfs/dbraw/zinc/05/98/45/408059845.db2.gz KCSHMDPVOAQPSJ-ZDUSSCGKSA-N 1 0 321.425 1.152 10 0 DDAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1ccccc1OCC(F)(F)F ZINC000263224044 408064763 /nfs/dbraw/zinc/06/47/63/408064763.db2.gz MLSHIVQLUVGJEK-RYUDHWBXSA-N 1 0 304.312 1.298 10 0 DDAERO CC[C@@H]1CN(C(=O)NC[C@@H](C)SC)CC[N@@H+]1C[C@@H](C)O ZINC000182035487 408068416 /nfs/dbraw/zinc/06/84/16/408068416.db2.gz VJNYCMPQHDRRCB-JHJVBQTASA-N 1 0 303.472 1.225 10 0 DDAERO Cc1ccc(N2CCC[N@@H+]([C@@H]3CCN(C(C)C)C3=O)CC2)nn1 ZINC000175186114 408069809 /nfs/dbraw/zinc/06/98/09/408069809.db2.gz 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/nfs/dbraw/zinc/67/27/90/709672790.db2.gz PBPPXZUHYAOIQF-SECBINFHSA-N 1 0 315.295 1.726 10 0 DDAERO C[N@@H+]1CCC[C@H](CNC(=O)CCC(N)=O)[C@H]1c1ccccc1 ZINC000908107901 712689334 /nfs/dbraw/zinc/68/93/34/712689334.db2.gz URJBWCLLVZCBRZ-RHSMWYFYSA-N 1 0 303.406 1.451 10 0 DDAERO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185522463 282097795 /nfs/dbraw/zinc/09/77/95/282097795.db2.gz KREUCGCGZZBFHI-ZDUSSCGKSA-N 1 0 306.414 1.157 10 0 DDAERO Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000175887499 282104261 /nfs/dbraw/zinc/10/42/61/282104261.db2.gz WNMGVEHUEDTFCP-ZIAGYGMSSA-N 1 0 316.409 1.077 10 0 DDAERO CC(C)[N@H+](C)CCNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000077001385 185065098 /nfs/dbraw/zinc/06/50/98/185065098.db2.gz ZNSHRWAWDQOTNH-CYBMUJFWSA-N 1 0 313.442 1.700 10 0 DDAERO [NH3+][C@@H]1CCOC[C@H]1S(=O)(=O)c1ccc(Br)cc1 ZINC000081933373 192341273 /nfs/dbraw/zinc/34/12/73/192341273.db2.gz CAUOZPVSTRKLPN-GHMZBOCLSA-N 1 0 320.208 1.339 10 0 DDAERO CC1(CNC(=O)c2ccc(-c3ncon3)cc2)CC[NH2+]CC1 ZINC000181275737 199275044 /nfs/dbraw/zinc/27/50/44/199275044.db2.gz YVKCZVUDWQIQOC-UHFFFAOYSA-N 1 0 300.362 1.856 10 0 DDAERO C[NH2+][C@@H](CS(=O)(=O)CC(C)C)c1ccc2c(c1)OCCO2 ZINC000081929881 192341472 /nfs/dbraw/zinc/34/14/72/192341472.db2.gz WHAMFVGPRUNQLH-ZDUSSCGKSA-N 1 0 313.419 1.789 10 0 DDAERO CCCS(=O)(=O)C[C@H]([NH2+]CC)c1ccc2c(c1)OCCO2 ZINC000081939419 192343256 /nfs/dbraw/zinc/34/32/56/192343256.db2.gz QHGHCYJANVRQIA-ZDUSSCGKSA-N 1 0 313.419 1.933 10 0 DDAERO C[C@@H](CC[NH3+])CCC(=O)Nc1ccccc1SCC(N)=O ZINC000079117692 185159234 /nfs/dbraw/zinc/15/92/34/185159234.db2.gz JAGYRGSSZSCTFU-LLVKDONJSA-N 1 0 309.435 1.968 10 0 DDAERO COCCN(CCOC)C(=O)CC[C@H](CC[NH3+])C(C)(C)C ZINC000079290320 185163596 /nfs/dbraw/zinc/16/35/96/185163596.db2.gz ZJGPSLQXXOCAKW-CQSZACIVSA-N 1 0 302.459 1.899 10 0 DDAERO CC[NH2+][C@@H](CS(=O)(=O)CCOC)c1ccc(OC)cc1 ZINC000081945159 192345466 /nfs/dbraw/zinc/34/54/66/192345466.db2.gz VEUCTEDBESMRSQ-AWEZNQCLSA-N 1 0 301.408 1.407 10 0 DDAERO C[NH+]1CCC(NC(=O)Nc2ccccc2N2CCOCC2)CC1 ZINC000082340537 185176537 /nfs/dbraw/zinc/17/65/37/185176537.db2.gz LNDXFENGHMKCEC-UHFFFAOYSA-N 1 0 318.421 1.739 10 0 DDAERO CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](C[NH3+])C(C)C)c1 ZINC000087516264 185227448 /nfs/dbraw/zinc/22/74/48/185227448.db2.gz YYXXAVXJLMWTPC-LBPRGKRZSA-N 1 0 313.423 1.073 10 0 DDAERO CCC[NH2+][C@](C)(CCO)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000087563826 185228458 /nfs/dbraw/zinc/22/84/58/185228458.db2.gz YWNDDUMIMVGASE-OAHLLOKOSA-N 1 0 314.451 1.534 10 0 DDAERO C[NH2+]C1(CC(=O)N(CCOC)[C@@H](C)COC)CCCCC1 ZINC000087577596 185229101 /nfs/dbraw/zinc/22/91/01/185229101.db2.gz MJCBTTBYODXBEG-AWEZNQCLSA-N 1 0 300.443 1.809 10 0 DDAERO [NH3+]C1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000087589786 185229119 /nfs/dbraw/zinc/22/91/19/185229119.db2.gz LRFGHWXUFPKRCO-UHFFFAOYSA-N 1 0 314.716 1.690 10 0 DDAERO C[C@H](CCC[C@H](C)[NH3+])C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000087685905 185230415 /nfs/dbraw/zinc/23/04/15/185230415.db2.gz ILDDHYXKUCDSSF-MNOVXSKESA-N 1 0 313.423 1.577 10 0 DDAERO CCC[NH2+]Cc1c(N2CCCNC(=O)C2)nc2sccn12 ZINC000087885051 185234580 /nfs/dbraw/zinc/23/45/80/185234580.db2.gz LDHHTKIVVGAYHL-UHFFFAOYSA-N 1 0 307.423 1.222 10 0 DDAERO O=S(=O)(NCc1ccc(C(F)(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000088056770 185238145 /nfs/dbraw/zinc/23/81/45/185238145.db2.gz NQZVHTJUAKDSHO-NSHDSACASA-N 1 0 308.325 1.487 10 0 DDAERO C[C@@H](c1ccc(S(=O)(=O)N(C)C)cc1)N1CC[NH2+][C@@H](C)C1 ZINC000088058813 185238255 /nfs/dbraw/zinc/23/82/55/185238255.db2.gz OZVPHNBSIMFIDX-STQMWFEESA-N 1 0 311.451 1.292 10 0 DDAERO [NH3+]CC[S@](=O)CC(=O)Nc1ccccc1Br ZINC000088062952 185238643 /nfs/dbraw/zinc/23/86/43/185238643.db2.gz QTUHGOBGOCIVDN-MRXNPFEDSA-N 1 0 305.197 1.095 10 0 DDAERO CC[NH2+]Cc1nnnn1-c1ccc(Br)c(F)c1 ZINC000088085342 185239181 /nfs/dbraw/zinc/23/91/81/185239181.db2.gz BMFUWJIWBNZGHZ-UHFFFAOYSA-N 1 0 300.135 1.673 10 0 DDAERO [NH3+][C@@H](Cc1ccc(F)c(Br)c1)[C@H]1COCCO1 ZINC000087857373 185233738 /nfs/dbraw/zinc/23/37/38/185233738.db2.gz CDFQFHOVXUFYQN-NWDGAFQWSA-N 1 0 304.159 1.873 10 0 DDAERO CC(=O)N[C@@H]1CCCN(CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000173196886 539227512 /nfs/dbraw/zinc/22/75/12/539227512.db2.gz GYJUQYOSXSJQQY-QGZVFWFLSA-N 1 0 307.413 1.858 10 0 DDAERO Cc1ccccc1[C@H](C)[NH2+]CCNS(=O)(=O)c1cnn(C)c1 ZINC000181545039 539237895 /nfs/dbraw/zinc/23/78/95/539237895.db2.gz CMWMBOPRPKZYSG-ZDUSSCGKSA-N 1 0 322.434 1.358 10 0 DDAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1ccn(C)n1 ZINC000181943705 539238618 /nfs/dbraw/zinc/23/86/18/539238618.db2.gz FVOWWORUURYMPV-AWEZNQCLSA-N 1 0 300.406 1.599 10 0 DDAERO CC(C)[NH2+]Cc1nnnn1-c1c2nsnc2ccc1Cl ZINC000088127761 185240389 /nfs/dbraw/zinc/24/03/89/185240389.db2.gz VZEPMGJERMANTG-UHFFFAOYSA-N 1 0 309.786 1.818 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1)C(C)C ZINC000183653108 539242832 /nfs/dbraw/zinc/24/28/32/539242832.db2.gz KCYWPQFUPARMIH-SJORKVTESA-N 1 0 317.433 1.614 10 0 DDAERO CC[NH2+]CCCNC(=O)c1sc2nnc(C)c(C)c2c1N ZINC000088641299 185260705 /nfs/dbraw/zinc/26/07/05/185260705.db2.gz LWSNAASAPCLUNW-UHFFFAOYSA-N 1 0 307.423 1.620 10 0 DDAERO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCNC3=[NH+]CCN32)C1 ZINC000232496958 539267109 /nfs/dbraw/zinc/26/71/09/539267109.db2.gz HSYMVWLHRGLPLW-STQMWFEESA-N 1 0 308.426 1.667 10 0 DDAERO CCC1(CC)CN([C@H]2C=CS(=O)(=O)C2)[C@@H](C(C)C)C[NH2+]1 ZINC000088860229 185267441 /nfs/dbraw/zinc/26/74/41/185267441.db2.gz WZVIXPCXHOQNPJ-UONOGXRCSA-N 1 0 300.468 1.786 10 0 DDAERO CCOC(=O)CS(=O)(=O)C[C@@H]([NH2+]C)c1cc(C)ccc1C ZINC000081977880 192349904 /nfs/dbraw/zinc/34/99/04/192349904.db2.gz UJJOYYSCWJARMY-CQSZACIVSA-N 1 0 313.419 1.542 10 0 DDAERO CCCN(CC(=O)N(C)Cc1cccc(Cl)c1)C1C[NH2+]C1 ZINC000090293708 185289784 /nfs/dbraw/zinc/28/97/84/185289784.db2.gz HKZFBGXASYVWSX-UHFFFAOYSA-N 1 0 309.841 1.982 10 0 DDAERO CCCN(CC(=O)N1CCSc2ccccc21)C1C[NH2+]C1 ZINC000090293951 185289880 /nfs/dbraw/zinc/28/98/80/185289880.db2.gz JDVMRFVIFOHCRX-UHFFFAOYSA-N 1 0 305.447 1.809 10 0 DDAERO CCCN(c1ccccc1S(=O)(=O)NC1CC1)C1C[NH2+]C1 ZINC000090294268 185289929 /nfs/dbraw/zinc/28/99/29/185289929.db2.gz SWPCNTAIQRZEKO-UHFFFAOYSA-N 1 0 309.435 1.316 10 0 DDAERO CCCN(C1C[NH2+]C1)S(=O)(=O)c1cccc(Cl)c1F ZINC000090293294 185290049 /nfs/dbraw/zinc/29/00/49/185290049.db2.gz OGYWTRLNJMJWNK-UHFFFAOYSA-N 1 0 306.790 1.852 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NC(=O)Cc1c(F)cccc1Cl ZINC000090312469 185290643 /nfs/dbraw/zinc/29/06/43/185290643.db2.gz MXBDNFPAGBGHFC-BZPMIXESSA-N 1 0 300.761 1.643 10 0 DDAERO O=S(=O)(c1ccccc1N1C[C@H]2C[NH2+]C[C@H]2C1)C(F)F ZINC000090322746 185291072 /nfs/dbraw/zinc/29/10/72/185291072.db2.gz FWOCLUMHALTSPN-AOOOYVTPSA-N 1 0 302.346 1.339 10 0 DDAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1cc(C)sc1C ZINC000090331855 185291632 /nfs/dbraw/zinc/29/16/32/185291632.db2.gz NJCSXAMBMBQPIG-FRRDWIJNSA-N 1 0 314.476 1.983 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1S(=O)(=O)c1ccc(F)cc1F ZINC000090336938 185291808 /nfs/dbraw/zinc/29/18/08/185291808.db2.gz ZKFRTDNKMGBAQG-ONGXEEELSA-N 1 0 316.373 1.583 10 0 DDAERO [NH3+][C@H]1COC[C@H]1c1nnc2c(Cl)cc(C(F)(F)F)cn21 ZINC000090364095 185292888 /nfs/dbraw/zinc/29/28/88/185292888.db2.gz SKXCLAOWLGSONS-SVRRBLITSA-N 1 0 306.675 1.843 10 0 DDAERO CCC(CC)[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)N1CCOCC1 ZINC000173499321 282221738 /nfs/dbraw/zinc/22/17/38/282221738.db2.gz ANCYIPOENSRDLK-CVEARBPZSA-N 1 0 311.470 1.286 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000090437522 185296214 /nfs/dbraw/zinc/29/62/14/185296214.db2.gz VKCZUIONEICABE-RYUDHWBXSA-N 1 0 302.296 1.556 10 0 DDAERO Cc1nn(CCS(C)(=O)=O)c(C)c1C[C@@H](C)C[NH2+]C(C)C ZINC000092323505 185312202 /nfs/dbraw/zinc/31/22/02/185312202.db2.gz CMQZOSROBQVFGL-GFCCVEGCSA-N 1 0 315.483 1.721 10 0 DDAERO CCS(=O)(=O)CCn1nc(C)c(CC[NH2+]C(C)C)c1C ZINC000092323606 185312203 /nfs/dbraw/zinc/31/22/03/185312203.db2.gz SCBIABWIWYTXLW-UHFFFAOYSA-N 1 0 301.456 1.475 10 0 DDAERO Cc1nn(CCS(C)(=O)=O)c(C)c1C[C@H](C)C[NH2+]C(C)C ZINC000092323506 185312311 /nfs/dbraw/zinc/31/23/11/185312311.db2.gz CMQZOSROBQVFGL-LBPRGKRZSA-N 1 0 315.483 1.721 10 0 DDAERO Cc1noc(C)c1[C@@H](C)NS(=O)(=O)c1cc(C[NH3+])oc1C ZINC000092344125 185313138 /nfs/dbraw/zinc/31/31/38/185313138.db2.gz RZXNVYQVIHOUKU-MRVPVSSYSA-N 1 0 313.379 1.691 10 0 DDAERO O=C([C@@H]1CCCN1Cc1cc(Cl)ccn1)N1CC[NH2+]CC1 ZINC000092417123 185317071 /nfs/dbraw/zinc/31/70/71/185317071.db2.gz SHVXVJCMKHFRKH-AWEZNQCLSA-N 1 0 308.813 1.131 10 0 DDAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)/C=C\c2cccnc2)CC1 ZINC000255163330 282238323 /nfs/dbraw/zinc/23/83/23/282238323.db2.gz SPOMGIOXJFUCJR-IYKSTZQJSA-N 1 0 317.433 1.646 10 0 DDAERO CN(C)[C@H](Cc1ccccc1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000106915864 282250978 /nfs/dbraw/zinc/25/09/78/282250978.db2.gz JGGPERMFTSVPEQ-QZTJIDSGSA-N 1 0 315.461 1.856 10 0 DDAERO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(N)ccc1F ZINC000092622379 185329611 /nfs/dbraw/zinc/32/96/11/185329611.db2.gz PCSRYQRZBWVEAG-NSHDSACASA-N 1 0 301.387 1.123 10 0 DDAERO CN(CC(=O)Nc1cc(Cl)ccc1N)C[C@@H]1CCC[N@@H+]1C ZINC000092621619 185329935 /nfs/dbraw/zinc/32/99/35/185329935.db2.gz YKYHXHNDGYAODK-LBPRGKRZSA-N 1 0 310.829 1.887 10 0 DDAERO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc2c(c1)CCN2 ZINC000092633984 185330220 /nfs/dbraw/zinc/33/02/20/185330220.db2.gz UJTJJELXLYKLBQ-CYBMUJFWSA-N 1 0 309.435 1.369 10 0 DDAERO Clc1ccc(-c2noc(-c3cn(C4C[NH2+]C4)nn3)n2)cc1 ZINC000092698942 185333666 /nfs/dbraw/zinc/33/36/66/185333666.db2.gz TULSAKFDCBHHAS-UHFFFAOYSA-N 1 0 302.725 1.793 10 0 DDAERO CCn1cnc(S(=O)(=O)N(C)Cc2ccc(C[NH3+])cc2)c1 ZINC000092889787 185348129 /nfs/dbraw/zinc/34/81/29/185348129.db2.gz GYWFSSNKWPRACH-UHFFFAOYSA-N 1 0 308.407 1.182 10 0 DDAERO CC[C@@H]([NH3+])Cc1cc(Br)ccc1OCC(=O)NC ZINC000037725447 190665041 /nfs/dbraw/zinc/66/50/41/190665041.db2.gz MLOBWOLDSQIJNY-LLVKDONJSA-N 1 0 315.211 1.854 10 0 DDAERO COC[C@H](CO)[NH2+][C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000300398127 282380594 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MQVPHUNGMJAKFX-SNVBAGLBSA-N 1 0 300.786 1.589 10 0 DDAERO CCc1ccc([C@@H]([NH3+])c2ccc3[nH]c(=O)c(=O)[nH]c3c2)s1 ZINC000043639735 183376959 /nfs/dbraw/zinc/37/69/59/183376959.db2.gz PKPMPKANUDDCDS-ZDUSSCGKSA-N 1 0 301.371 1.888 10 0 DDAERO O=C(Nc1cccc(Cl)c1-n1cccn1)[C@@H]1C[NH2+]CCO1 ZINC000043709405 183382911 /nfs/dbraw/zinc/38/29/11/183382911.db2.gz WLRVZTYKZAKZOO-LBPRGKRZSA-N 1 0 306.753 1.453 10 0 DDAERO CC(C)[NH+](CCNc1cc(N2CCC[C@@H]2CO)ncn1)C(C)C ZINC000105785943 194127176 /nfs/dbraw/zinc/12/71/76/194127176.db2.gz YCJQKZZUTYRSFY-OAHLLOKOSA-N 1 0 321.469 1.968 10 0 DDAERO CC(C)C[C@H](C)N(C)C(=O)CN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000105824229 194137498 /nfs/dbraw/zinc/13/74/98/194137498.db2.gz KZNXKYYHOXHOIQ-HRCADAONSA-N 1 0 313.486 1.266 10 0 DDAERO CCCn1cc(CN2CCC[N@H+](Cc3cnn(C)c3)CC2)cn1 ZINC000105870258 194151803 /nfs/dbraw/zinc/15/18/03/194151803.db2.gz ZQRCGQFOKQWGPT-UHFFFAOYSA-N 1 0 316.453 1.735 10 0 DDAERO COc1ccccc1N(CCC[NH3+])S(=O)(=O)N(C)C(C)C ZINC000049041949 183704821 /nfs/dbraw/zinc/70/48/21/183704821.db2.gz PNRZOOIPAVOLLR-UHFFFAOYSA-N 1 0 315.439 1.435 10 0 DDAERO CCCNC(=O)CCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000109363552 194259442 /nfs/dbraw/zinc/25/94/42/194259442.db2.gz PWAFELLHMQUVMB-HNNXBMFYSA-N 1 0 305.422 1.712 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN(c2cc(C(C)C)ncn2)CC1 ZINC000109471575 194266637 /nfs/dbraw/zinc/26/66/37/194266637.db2.gz MRFHJTWFOXGAFR-CYBMUJFWSA-N 1 0 307.467 1.787 10 0 DDAERO C[C@H](C(N)=S)[NH+]1CCN(C(=O)CCc2ccccc2)CC1 ZINC000109457878 194266137 /nfs/dbraw/zinc/26/61/37/194266137.db2.gz DQCZYWAJOSFLDR-CYBMUJFWSA-N 1 0 305.447 1.438 10 0 DDAERO [NH3+]Cc1ccc(CS(=O)(=O)N2Cc3ccccc3C2)cc1 ZINC000050911938 183807532 /nfs/dbraw/zinc/80/75/32/183807532.db2.gz XFNJURFXXVTFHD-UHFFFAOYSA-N 1 0 302.399 1.991 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN(c2ccc(Cl)nn2)CC1 ZINC000109471625 194267104 /nfs/dbraw/zinc/26/71/04/194267104.db2.gz BLFQDSNFHXQSHM-SNVBAGLBSA-N 1 0 313.858 1.707 10 0 DDAERO CC1CCC(CO)([NH2+]C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000053118585 183889007 /nfs/dbraw/zinc/88/90/07/183889007.db2.gz JYZUNJRWLQSFJX-PWUWZPNHSA-N 1 0 301.427 1.074 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(C(N)=S)cc2)C1 ZINC000110614833 194343171 /nfs/dbraw/zinc/34/31/71/194343171.db2.gz OOCKBAHMFOIYMZ-CQSZACIVSA-N 1 0 305.447 1.464 10 0 DDAERO C[C@H]([NH3+])c1ccc(S(=O)(=O)N2CCN(C)C(C)(C)C2)cc1 ZINC000110763504 194357547 /nfs/dbraw/zinc/35/75/47/194357547.db2.gz LVHMSZGWHOXUQM-LBPRGKRZSA-N 1 0 311.451 1.421 10 0 DDAERO CN(c1ccccc1S(=O)(=O)NC1CC1)[C@@H]1CCC[NH2+]C1 ZINC000110932269 194371281 /nfs/dbraw/zinc/37/12/81/194371281.db2.gz YQEWMIHTIDSCCB-CYBMUJFWSA-N 1 0 309.435 1.316 10 0 DDAERO CCCN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1ccccc1OC ZINC000110942487 194372779 /nfs/dbraw/zinc/37/27/79/194372779.db2.gz IKRKSTUHFIKIIN-ZDUSSCGKSA-N 1 0 312.435 1.848 10 0 DDAERO CS(=O)(=O)CCSCCCOc1cccc(C[NH3+])c1 ZINC000111005507 194380827 /nfs/dbraw/zinc/38/08/27/194380827.db2.gz JPFKHGYZXVNVJR-UHFFFAOYSA-N 1 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MRIRFNWZFIPSLH-VIFPVBQESA-N 1 0 305.773 1.359 10 0 DDAERO CCc1ccc(N)cc1S(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061642568 184180415 /nfs/dbraw/zinc/18/04/15/184180415.db2.gz QEJASWHHALUKGX-AWEZNQCLSA-N 1 0 311.451 1.546 10 0 DDAERO NC(=[NH2+])c1ncccc1CSc1nnnn1C1CCCC1 ZINC000061658940 184181168 /nfs/dbraw/zinc/18/11/68/184181168.db2.gz CKKUNKGJUMYGPQ-UHFFFAOYSA-N 1 0 303.395 1.760 10 0 DDAERO NC(=[NH2+])c1ccccc1CN1CCN(CC(F)(F)F)CC1 ZINC000061941504 184197321 /nfs/dbraw/zinc/19/73/21/184197321.db2.gz MXQOTTYYVVZCIS-UHFFFAOYSA-N 1 0 300.328 1.651 10 0 DDAERO Cc1cc(S(N)(=O)=O)cc(N[C@@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000061981171 184200032 /nfs/dbraw/zinc/20/00/32/184200032.db2.gz HRTRRXXRHOZFHD-GFCCVEGCSA-N 1 0 309.435 1.599 10 0 DDAERO C[N@H+](CCNCc1nc2cc(Cl)ccc2c(=O)[nH]1)C1CC1 ZINC000062010015 184201385 /nfs/dbraw/zinc/20/13/85/184201385.db2.gz RVKZZCWWOLEHFU-UHFFFAOYSA-N 1 0 306.797 1.760 10 0 DDAERO C[C@H](c1ccccc1F)N(C)CC[NH2+]CCS(C)(=O)=O ZINC000062021085 184201640 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196223312 /nfs/dbraw/zinc/22/33/12/196223312.db2.gz VQSPAXILOLGFSQ-UHFFFAOYSA-N 1 0 302.296 1.830 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCc1ccc2c(c1)OCO2 ZINC000048170936 418465120 /nfs/dbraw/zinc/46/51/20/418465120.db2.gz QOKQHQWVPWHIAC-ZDUSSCGKSA-N 1 0 321.421 1.987 10 0 DDAERO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000374177974 418501959 /nfs/dbraw/zinc/50/19/59/418501959.db2.gz YFJQWWUSHUOKJH-MBJXGIAVSA-N 1 0 311.426 1.092 10 0 DDAERO COc1nc(N[C@H]2CC[C@@H](C[NH3+])C2)ncc1Br ZINC000382464187 418730073 /nfs/dbraw/zinc/73/00/73/418730073.db2.gz YVJVXZQTUWYAAR-SFYZADRCSA-N 1 0 301.188 1.787 10 0 DDAERO C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)[C@]1(C)CCC[NH2+]1 ZINC000382699529 418732947 /nfs/dbraw/zinc/73/29/47/418732947.db2.gz LUCDOOMMHOWMAE-QAPCUYQASA-N 1 0 301.434 1.861 10 0 DDAERO CCO[C@@H]1CN(c2ncc(Br)cn2)C[C@H]1C[NH3+] ZINC000405293208 418775510 /nfs/dbraw/zinc/77/55/10/418775510.db2.gz JBFKNCPYVBGYBN-PSASIEDQSA-N 1 0 301.188 1.039 10 0 DDAERO 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[NH3+]C1(C(=O)NCc2cnn(Cc3ccccc3)c2)CCOCC1 ZINC000261931392 698445401 /nfs/dbraw/zinc/44/54/01/698445401.db2.gz WIIZXMRTTWCSAE-UHFFFAOYSA-N 1 0 314.389 1.056 10 0 DDAERO O=C(NC[C@@H](O)c1cccc(Cl)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000261945497 698446809 /nfs/dbraw/zinc/44/68/09/698446809.db2.gz OKFCYBMZUFWSGF-ZIAGYGMSSA-N 1 0 308.809 1.879 10 0 DDAERO CCOCCOc1ccc(Cl)cc1NC(=O)[C@@H]([NH3+])COC ZINC000262249518 698461336 /nfs/dbraw/zinc/46/13/36/698461336.db2.gz SKHMWJZZOXNBCU-NSHDSACASA-N 1 0 316.785 1.668 10 0 DDAERO COC[C@H]([NH3+])C(=O)N(C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000262393569 698467312 /nfs/dbraw/zinc/46/73/12/698467312.db2.gz OLCORKQMRJOHNR-GJZGRUSLSA-N 1 0 320.368 1.081 10 0 DDAERO CCOc1cc(Br)ccc1NC(=O)[C@H]([NH3+])COC ZINC000262496642 698472233 /nfs/dbraw/zinc/47/22/33/698472233.db2.gz IFABORPXELYRSO-SECBINFHSA-N 1 0 317.183 1.760 10 0 DDAERO C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1cnn(C)c1 ZINC000702770506 699232460 /nfs/dbraw/zinc/23/24/60/699232460.db2.gz XXYKGPZWGILZDX-FPMFFAJLSA-N 1 0 324.425 1.299 10 0 DDAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CS1 ZINC000702841549 699233839 /nfs/dbraw/zinc/23/38/39/699233839.db2.gz TVWDOPUYDOIYMR-NDBYEHHHSA-N 1 0 316.467 1.698 10 0 DDAERO C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1cccnc1 ZINC000705767569 699241871 /nfs/dbraw/zinc/24/18/71/699241871.db2.gz PLSITTJCAJYZKD-CFVMTHIKSA-N 1 0 321.421 1.960 10 0 DDAERO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@H]2CCOC[C@@H]2O)CC1 ZINC000706724036 699243998 /nfs/dbraw/zinc/24/39/98/699243998.db2.gz KTHLYQJTXQLIQX-KBPBESRZSA-N 1 0 314.426 1.373 10 0 DDAERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@H]2CCOC[C@@H]2O)CC1 ZINC000706723989 699244108 /nfs/dbraw/zinc/24/41/08/699244108.db2.gz HJESHISMDIBCBU-IHRRRGAJSA-N 1 0 314.426 1.515 10 0 DDAERO C[C@@H]([NH2+][C@@H](C)[C@H](C)O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000711028757 699255944 /nfs/dbraw/zinc/25/59/44/699255944.db2.gz DWKAIWYAKDBAII-RNJOBUHISA-N 1 0 302.415 1.370 10 0 DDAERO CC(C)(C)OC(=O)NC1CC(C[NH2+][C@]2(CO)CCOC2)C1 ZINC000711391784 699257243 /nfs/dbraw/zinc/25/72/43/699257243.db2.gz MZFDJHQHEBFSMK-QOZQQMKHSA-N 1 0 300.399 1.031 10 0 DDAERO CN1C[C@H]([NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)CCC1=O ZINC000711481876 699258250 /nfs/dbraw/zinc/25/82/50/699258250.db2.gz BLSVTYSBCCTHPG-OTTFEQOBSA-N 1 0 311.426 1.500 10 0 DDAERO CC(C)(C)OC(=O)NC1CC(C[NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000711455661 699258259 /nfs/dbraw/zinc/25/82/59/699258259.db2.gz JMSVXKHIADZWTB-OTTFEQOBSA-N 1 0 311.426 1.548 10 0 DDAERO COCCC1(C(=O)NCC[C@@H]2CCCS2)CC[NH2+]CC1 ZINC000715995998 699279713 /nfs/dbraw/zinc/27/97/13/699279713.db2.gz YKIXJDXONGITDS-ZDUSSCGKSA-N 1 0 300.468 1.795 10 0 DDAERO Cn1ncc(N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c(Cl)c1=O ZINC000720845672 699309581 /nfs/dbraw/zinc/30/95/81/699309581.db2.gz RTTUMQYSBYVNFM-NKWVEPMBSA-N 1 0 310.707 1.007 10 0 DDAERO CC(C)([NH3+])c1cn(C[C@](C)(O)C(F)(F)C(F)(F)F)nn1 ZINC000724029756 699323470 /nfs/dbraw/zinc/32/34/70/699323470.db2.gz WXSYCFSISHRDMQ-QMMMGPOBSA-N 1 0 302.247 1.421 10 0 DDAERO CN(c1ccncc1Br)C1(C[NH3+])CCOCC1 ZINC000725002599 699329272 /nfs/dbraw/zinc/32/92/72/699329272.db2.gz WGRFVYGXCKDIJN-UHFFFAOYSA-N 1 0 300.200 1.788 10 0 DDAERO C/C(=C/C(=O)N1C[C@@H]([NH+](C)C)[C@@H](n2ccnn2)C1)c1ccco1 ZINC000862937346 705830623 /nfs/dbraw/zinc/83/06/23/705830623.db2.gz YQTGFFLNXLRNDY-CUSVYIHLSA-N 1 0 315.377 1.288 10 0 DDAERO C[NH+]1CCC([C@H]2OCC[C@@H]2C(=O)N2CCc3cnccc32)CC1 ZINC000886059669 708690403 /nfs/dbraw/zinc/69/04/03/708690403.db2.gz QDYHSXAYPGVJRR-DOTOQJQBSA-N 1 0 315.417 1.718 10 0 DDAERO COCC1(C[N@@H+]2CCC[C@](O)(Cc3nc(C)no3)C2)CCC1 ZINC000886079725 708694289 /nfs/dbraw/zinc/69/42/89/708694289.db2.gz YFUJJNPIRXAIJK-INIZCTEOSA-N 1 0 309.410 1.564 10 0 DDAERO Cc1noc(COC2C[NH+]([C@@H]3CCCC34CCOCC4)C2)n1 ZINC000886097300 708697556 /nfs/dbraw/zinc/69/75/56/708697556.db2.gz QWRWAVNANXBGOK-CQSZACIVSA-N 1 0 307.394 1.928 10 0 DDAERO Cc1c([C@H]2C[N@H+](Cc3ncccc3C)C[C@@H]2C(N)=O)cnn1C ZINC000888078675 709210362 /nfs/dbraw/zinc/21/03/62/709210362.db2.gz LGMVKSUUKQGIMO-CABCVRRESA-N 1 0 313.405 1.133 10 0 DDAERO C/C=C/[C@H](O)C(=O)N(C)C[C@@H]1OCCN(C)[C@H]1c1ccccc1 ZINC000908104932 712688823 /nfs/dbraw/zinc/68/88/23/712688823.db2.gz WLOUSHMDPWZBGK-QRUNAMSGSA-N 1 0 318.417 1.454 10 0 DDAERO Nc1nc([C@@H]2CC[N@H+](CCSc3ccncc3)C2)cc(=O)[nH]1 ZINC000931031752 713986414 /nfs/dbraw/zinc/98/64/14/713986414.db2.gz DQYWMBHFRVKDTR-LLVKDONJSA-N 1 0 317.418 1.741 10 0 DDAERO Cc1cc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc[nH+]1 ZINC000074626580 185003859 /nfs/dbraw/zinc/00/38/59/185003859.db2.gz RAGRROBHTYHUMZ-UHFFFAOYSA-N 1 0 304.331 1.360 10 0 DDAERO C[NH+]1CCC2(CC(=O)N(Cc3noc([C@@H]4CCCO4)n3)C2)CC1 ZINC000095500016 185374757 /nfs/dbraw/zinc/37/47/57/185374757.db2.gz YNLXDYKFFGHBOO-LBPRGKRZSA-N 1 0 320.393 1.365 10 0 DDAERO CCC[NH2+][C@@H]1CCC2(C[C@@H]1SCC(=O)OCC)OCCO2 ZINC000081795581 192324538 /nfs/dbraw/zinc/32/45/38/192324538.db2.gz KBDUEWWHSXSYOH-OLZOCXBDSA-N 1 0 317.451 1.947 10 0 DDAERO CCC[NH2+][C@H]1c2ccccc2OC[C@@H]1Sc1nnnn1C ZINC000081843826 192330263 /nfs/dbraw/zinc/33/02/63/192330263.db2.gz MUXSUELVRXSMDN-STQMWFEESA-N 1 0 305.407 1.804 10 0 DDAERO Cc1nnc(SC[C@H]([NH3+])c2ccc3c(c2)OCCO3)n1C ZINC000081886359 192334452 /nfs/dbraw/zinc/33/44/52/192334452.db2.gz XOGKWCHDQMRHQT-NSHDSACASA-N 1 0 306.391 1.687 10 0 DDAERO C[C@@H](CS(C)(=O)=O)[NH2+][C@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000081900408 192335324 /nfs/dbraw/zinc/33/53/24/192335324.db2.gz XXHUSTHPDYNXIH-DCAQKATOSA-N 1 0 317.373 1.899 10 0 DDAERO CC[NH2+][C@@H](CS(=O)(=O)c1ccc2c(c1)OCCO2)C1CC1 ZINC000081935464 192342208 /nfs/dbraw/zinc/34/22/08/192342208.db2.gz BSRYFQMXERXGRO-ZDUSSCGKSA-N 1 0 311.403 1.620 10 0 DDAERO COC(=O)[C@@](C)(c1ccc(F)cc1Cl)N1CC[NH2+]CC1 ZINC000078901483 185125917 /nfs/dbraw/zinc/12/59/17/185125917.db2.gz ODRPRWGRYLRXOT-CQSZACIVSA-N 1 0 300.761 1.773 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC(CC(N)=O)CC1 ZINC000079452337 185172373 /nfs/dbraw/zinc/17/23/73/185172373.db2.gz OQNGEIMKKKJMCN-CQSZACIVSA-N 1 0 312.458 1.260 10 0 DDAERO CC(C)[C@@H]1CCCN(S(=O)(=O)c2cc[nH+]c(NN)c2)CC1 ZINC000079357925 185166978 /nfs/dbraw/zinc/16/69/78/185166978.db2.gz FIPBXUYEBPQVKB-GFCCVEGCSA-N 1 0 312.439 1.814 10 0 DDAERO C[N@@H+]1CCC[C@H]1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000082315233 185175473 /nfs/dbraw/zinc/17/54/73/185175473.db2.gz NYOWECQKXOCRQD-AWEZNQCLSA-N 1 0 305.397 1.959 10 0 DDAERO Cn1nnnc1Sc1cc(Br)ccc1C[NH3+] ZINC000082615982 185191143 /nfs/dbraw/zinc/19/11/43/185191143.db2.gz VRIOAIKCBCODCX-UHFFFAOYSA-N 1 0 300.185 1.583 10 0 DDAERO CCOc1ccc([C@@H](C[NH3+])[C@@H](O)C(C)(C)S(C)(=O)=O)cc1 ZINC000087378477 185223118 /nfs/dbraw/zinc/22/31/18/185223118.db2.gz FJPKEMLYMAMCEX-ZIAGYGMSSA-N 1 0 315.435 1.312 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)NC(=O)c2ccccc2)C1 ZINC000249611617 282184861 /nfs/dbraw/zinc/18/48/61/282184861.db2.gz MDPCTOJULMXSQL-GOEBONIOSA-N 1 0 317.433 1.796 10 0 DDAERO CC[C@H](C[NH3+])C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000087517845 185227489 /nfs/dbraw/zinc/22/74/89/185227489.db2.gz CYAWZYXTVQHSHC-MRVPVSSYSA-N 1 0 304.799 1.667 10 0 DDAERO Cc1nnc(SCC(=O)N2[C@H](C)CCC[C@H]2C)n1CC[NH3+] ZINC000087715163 185230967 /nfs/dbraw/zinc/23/09/67/185230967.db2.gz INPNSTAUXFZFEV-GHMZBOCLSA-N 1 0 311.455 1.427 10 0 DDAERO COc1cc(OC)c([C@H](C[NH3+])NCC(F)(F)F)cc1OC ZINC000087929558 185237738 /nfs/dbraw/zinc/23/77/38/185237738.db2.gz QBBXTTPIYGOUGO-VIFPVBQESA-N 1 0 308.300 1.864 10 0 DDAERO C[C@@]1([NH2+]Cc2ccc3nc(N)sc3c2)CCS(=O)(=O)C1 ZINC000087848148 185233440 /nfs/dbraw/zinc/23/34/40/185233440.db2.gz OLGCKTZBVVBSPI-CYBMUJFWSA-N 1 0 311.432 1.545 10 0 DDAERO COc1ccc(Br)c(C[C@H]([NH3+])[C@H]2COCCO2)c1 ZINC000087857221 185233559 /nfs/dbraw/zinc/23/35/59/185233559.db2.gz UJVTWCNVSLWAKW-QWHCGFSZSA-N 1 0 316.195 1.743 10 0 DDAERO [NH3+][C@@H](Cc1ccc(Br)cc1F)[C@@H]1COCCO1 ZINC000087857283 185233570 /nfs/dbraw/zinc/23/35/70/185233570.db2.gz BRWBFGWIVCAILT-RYUDHWBXSA-N 1 0 304.159 1.873 10 0 DDAERO COc1ccc(Br)cc1C[C@@H]([NH3+])[C@H]1COCCO1 ZINC000087857362 185233689 /nfs/dbraw/zinc/23/36/89/185233689.db2.gz JWUGPIMSNDBQFI-DGCLKSJQSA-N 1 0 316.195 1.743 10 0 DDAERO CCc1cc(N(C)CCNS(C)(=O)=O)c2ccccc2[nH+]1 ZINC000301779404 529528579 /nfs/dbraw/zinc/52/85/79/529528579.db2.gz IFQJUXKGMJOODC-UHFFFAOYSA-N 1 0 307.419 1.783 10 0 DDAERO CCOC(=O)CS(=O)(=O)C[C@@H]([NH3+])c1c(C)cc(C)cc1C ZINC000081976939 192347961 /nfs/dbraw/zinc/34/79/61/192347961.db2.gz YCESKAVUSLKEHA-CYBMUJFWSA-N 1 0 313.419 1.590 10 0 DDAERO C[C@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1cccs1 ZINC000182543879 539239876 /nfs/dbraw/zinc/23/98/76/539239876.db2.gz SSEREMSAWJRTCY-JTQLQIEISA-N 1 0 314.436 1.111 10 0 DDAERO CCC[C@H](C(=O)Nc1cnn(Cc2ccccn2)c1)[NH+](C)C ZINC000179147751 539233731 /nfs/dbraw/zinc/23/37/31/539233731.db2.gz MVUCJYNKJNNGSG-OAHLLOKOSA-N 1 0 301.394 1.995 10 0 DDAERO C[NH2+]Cc1cnccc1-n1cc(I)cn1 ZINC000088115537 185239890 /nfs/dbraw/zinc/23/98/90/185239890.db2.gz YOGGTPGVMKSOQJ-UHFFFAOYSA-N 1 0 314.130 1.591 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)N1c2ccccc2CC[C@@H]1C)C(C)C ZINC000183675869 539243106 /nfs/dbraw/zinc/24/31/06/539243106.db2.gz IVUNEVRDSUHJKT-SUMWQHHRSA-N 1 0 317.433 1.715 10 0 DDAERO CC(C)COC[C@@H]([NH2+]C[C@@H](O)CN1CCCC1=O)c1ccco1 ZINC000184203456 539243896 /nfs/dbraw/zinc/24/38/96/539243896.db2.gz VNLCGGCOYCLZGU-HUUCEWRRSA-N 1 0 324.421 1.566 10 0 DDAERO C[C@@H](C[NH2+]C(C)(C)C)Cn1cc(Br)c(=O)[nH]c1=O ZINC000088453003 185251797 /nfs/dbraw/zinc/25/17/97/185251797.db2.gz WKDQIEPGEOOMMD-QMMMGPOBSA-N 1 0 318.215 1.323 10 0 DDAERO [NH3+][C@H]1CCC2(C[C@@H]1N1CCC(C(F)(F)F)CC1)OCCO2 ZINC000088419642 185249484 /nfs/dbraw/zinc/24/94/84/185249484.db2.gz OMRPAHFCADWWQU-RYUDHWBXSA-N 1 0 308.344 1.884 10 0 DDAERO CCOC[C@H](C)NS(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000088543029 185256375 /nfs/dbraw/zinc/25/63/75/185256375.db2.gz TWMGXMPLSHRBHJ-NSHDSACASA-N 1 0 318.439 1.871 10 0 DDAERO CCOC(=O)[C@H]1C[NH2+]CCN1C1CCC(C(F)(F)F)CC1 ZINC000088657907 185261872 /nfs/dbraw/zinc/26/18/72/185261872.db2.gz KQNRMONCSNRERB-HTAVTVPLSA-N 1 0 308.344 1.944 10 0 DDAERO CC[C@H]1CN(c2ncnc3onc(C)c32)CC[N@@H+]1C[C@H](C)O ZINC000248721211 539272536 /nfs/dbraw/zinc/27/25/36/539272536.db2.gz GRRXQWCSPIDJTJ-JQWIXIFHSA-N 1 0 305.382 1.208 10 0 DDAERO COc1ccc([C@@H](C)[NH3+])cc1C[S@](=O)CCS(C)(=O)=O ZINC000081992029 192352147 /nfs/dbraw/zinc/35/21/47/192352147.db2.gz JNOBYNRQJLASJZ-DGIBIBHMSA-N 1 0 319.448 1.008 10 0 DDAERO CCN(C1C[NH2+]C1)S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000090291423 185289551 /nfs/dbraw/zinc/28/95/51/185289551.db2.gz QRABKEOBFFNXDJ-BQYQJAHWSA-N 1 0 300.811 1.934 10 0 DDAERO C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@@H]3C2(C)C)C1 ZINC000090337089 185291958 /nfs/dbraw/zinc/29/19/58/185291958.db2.gz VGLDANMZSORGDV-CRWXNKLISA-N 1 0 315.483 1.139 10 0 DDAERO C[C@H](CC[NH3+])SCCOc1ccc(S(N)(=O)=O)cc1 ZINC000090355045 185292323 /nfs/dbraw/zinc/29/23/23/185292323.db2.gz HNMQIDXLZZQXDE-SNVBAGLBSA-N 1 0 304.437 1.183 10 0 DDAERO C[NH2+]Cc1cc(S(=O)(=O)NCc2c(C)noc2C)cs1 ZINC000092344233 185313366 /nfs/dbraw/zinc/31/33/66/185313366.db2.gz LBDJAGIIBRXVBU-UHFFFAOYSA-N 1 0 315.420 1.551 10 0 DDAERO Cc1noc(C)c1CNS(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000092339921 185312978 /nfs/dbraw/zinc/31/29/78/185312978.db2.gz KPLPRFFQRPAVHS-UHFFFAOYSA-N 1 0 315.420 1.333 10 0 DDAERO Cc1noc(C)c1[C@H](C)NS(=O)(=O)c1cc(C[NH3+])cs1 ZINC000092344062 185313101 /nfs/dbraw/zinc/31/31/01/185313101.db2.gz JCGMPIFOFUUYGD-QMMMGPOBSA-N 1 0 315.420 1.851 10 0 DDAERO Nc1cc[nH+]c(CSc2nnnn2-c2ccc(O)cc2)c1 ZINC000092420905 185317097 /nfs/dbraw/zinc/31/70/97/185317097.db2.gz ZVNKZHUQSDTDQU-UHFFFAOYSA-N 1 0 300.347 1.637 10 0 DDAERO CC[NH2+][C@@H](C)C1CCN(S(=O)(=O)c2cn(CC)cn2)CC1 ZINC000092889734 185347958 /nfs/dbraw/zinc/34/79/58/185347958.db2.gz SHBXBBLSVHWRJR-LBPRGKRZSA-N 1 0 314.455 1.302 10 0 DDAERO CCn1cnc(S(=O)(=O)N(C)C2CCC([NH2+]C)CC2)c1 ZINC000092889750 185348147 /nfs/dbraw/zinc/34/81/47/185348147.db2.gz DAGHYASCANTGRY-UHFFFAOYSA-N 1 0 300.428 1.054 10 0 DDAERO CCN([C@@H]1CCC[C@@H]1C[NH3+])S(=O)(=O)c1cn(CC)cn1 ZINC000092910640 185348598 /nfs/dbraw/zinc/34/85/98/185348598.db2.gz WURDNRQJHADHAE-VXGBXAGGSA-N 1 0 300.428 1.041 10 0 DDAERO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CC[C@H]([NH3+])C(C)(C)C2)C1 ZINC000261811557 297231091 /nfs/dbraw/zinc/23/10/91/297231091.db2.gz SGSRBDBKSASPJY-UPJWGTAASA-N 1 0 303.472 1.268 10 0 DDAERO [NH3+][C@H](CCc1ccc2c(c1)CCO2)C[C@H]1CCS(=O)(=O)C1 ZINC000097196915 185419566 /nfs/dbraw/zinc/41/95/66/185419566.db2.gz HALCAVWKVZGXDA-UKRRQHHQSA-N 1 0 309.431 1.706 10 0 DDAERO CNS(=O)(=O)c1ccccc1N[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000111378783 185590520 /nfs/dbraw/zinc/59/05/20/185590520.db2.gz NESLREFCPHNQFK-SWLSCSKDSA-N 1 0 311.451 1.914 10 0 DDAERO CC[NH2+][C@H](C)[C@@H]1CCCN(S(=O)(=O)N2CCC(C)CC2)C1 ZINC000111713746 185629019 /nfs/dbraw/zinc/62/90/19/185629019.db2.gz MXNUVMHOJXBGTD-HUUCEWRRSA-N 1 0 317.499 1.673 10 0 DDAERO COc1ccc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1Br ZINC000234917083 201910665 /nfs/dbraw/zinc/91/06/65/201910665.db2.gz RDGKYFPKCDVZDT-GZMMTYOYSA-N 1 0 313.195 1.877 10 0 DDAERO C[C@H]([NH2+]CCC[S@](C)=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400730622 302370184 /nfs/dbraw/zinc/37/01/84/302370184.db2.gz QLDVPWYLMHNABA-QRQYBIJMSA-N 1 0 318.483 1.990 10 0 DDAERO C[C@H]([NH3+])[C@H](c1ccc(Cl)s1)n1cc(S(C)(=O)=O)cn1 ZINC000725251895 539569442 /nfs/dbraw/zinc/56/94/42/539569442.db2.gz HPKRGOQCZXXSLA-WRWORJQWSA-N 1 0 319.839 1.938 10 0 DDAERO O=C(Nc1ccnn1C1C[NH2+]C1)c1ccc(Br)o1 ZINC000725258754 539570547 /nfs/dbraw/zinc/57/05/47/539570547.db2.gz ZEQWPNKVCCOVBX-UHFFFAOYSA-N 1 0 311.139 1.635 10 0 DDAERO CCn1nncc1C[NH2+]C[C@@H]1CCCO[C@H]1c1cnn(C)c1 ZINC000623584065 365944059 /nfs/dbraw/zinc/94/40/59/365944059.db2.gz FCYYQQDGTYKNHE-SWLSCSKDSA-N 1 0 304.398 1.289 10 0 DDAERO CC[NH2+][C@H](C)[C@@H]1CCCCN1S(=O)(=O)c1c[nH]c(C)n1 ZINC000070418054 190887741 /nfs/dbraw/zinc/88/77/41/190887741.db2.gz CQOSUJOFDCTQJX-PWSUYJOCSA-N 1 0 300.428 1.259 10 0 DDAERO CS(=O)(=O)c1ccc([S@](=O)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000084056053 192397883 /nfs/dbraw/zinc/39/78/83/192397883.db2.gz CBLNTTWVPNYXPY-VEVIJQCQSA-N 1 0 301.433 1.468 10 0 DDAERO Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000150711954 186058887 /nfs/dbraw/zinc/05/88/87/186058887.db2.gz KDVWERXNPABVKY-ZIAGYGMSSA-N 1 0 303.406 1.828 10 0 DDAERO CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H]1CNC(=O)C1 ZINC000152610040 186089641 /nfs/dbraw/zinc/08/96/41/186089641.db2.gz IBJSLMFKZUGHEV-ZDUSSCGKSA-N 1 0 323.462 1.555 10 0 DDAERO CNC(=O)c1cccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171887339 198000634 /nfs/dbraw/zinc/00/06/34/198000634.db2.gz NKTCSQDAWNUPBK-CQSZACIVSA-N 1 0 302.378 1.358 10 0 DDAERO Cc1cc(Br)ccc1C[NH2+][C@H]1CCOC[C@H]1O ZINC000623764559 366043815 /nfs/dbraw/zinc/04/38/15/366043815.db2.gz GMICSEFEZRYHSQ-QWHCGFSZSA-N 1 0 300.196 1.997 10 0 DDAERO Cc1sc(=O)n(CCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000172217452 198059600 /nfs/dbraw/zinc/05/96/00/198059600.db2.gz 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[NH3+]C[C@H]1CC[C@H](C(=O)NCc2ccc(C(F)(F)F)cc2)O1 ZINC000094571560 193381965 /nfs/dbraw/zinc/38/19/65/193381965.db2.gz LHLGIOVWCSIMAH-VXGBXAGGSA-N 1 0 302.296 1.828 10 0 DDAERO COC[C@H]([NH3+])CN(C)C(=O)c1cc(C(F)(F)F)ccc1F ZINC000094597428 193382617 /nfs/dbraw/zinc/38/26/17/193382617.db2.gz QJJWROGEYMKDIW-SECBINFHSA-N 1 0 308.275 1.890 10 0 DDAERO Cc1ccc2n1CCN(C(=O)c1csc(CC[NH3+])n1)[C@H]2C ZINC000097674891 193745850 /nfs/dbraw/zinc/74/58/50/193745850.db2.gz BIYQVXLVFVMOCK-NSHDSACASA-N 1 0 304.419 1.971 10 0 DDAERO COc1ccc([C@H](C[NH3+])N2CCOCC2)cc1OC(F)F ZINC000020556091 182231737 /nfs/dbraw/zinc/23/17/37/182231737.db2.gz XNICLXMQYRMKIE-NSHDSACASA-N 1 0 302.321 1.629 10 0 DDAERO CC[NH+]1CCN([C@H](C)C(=O)Nc2ccc(Cl)cc2N)CC1 ZINC000020552950 182230880 /nfs/dbraw/zinc/23/08/80/182230880.db2.gz VJGDCONLDNIIGE-LLVKDONJSA-N 1 0 310.829 1.887 10 0 DDAERO CCN(CC)[C@H](C[NH2+][C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000021041351 182263104 /nfs/dbraw/zinc/26/31/04/182263104.db2.gz 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C[C@@H]1CN(S(=O)(=O)Cc2ccccc2C[NH3+])CC(C)(C)O1 ZINC000041676027 183215135 /nfs/dbraw/zinc/21/51/35/183215135.db2.gz SYYSPCFCIQATNI-GFCCVEGCSA-N 1 0 312.435 1.474 10 0 DDAERO CCC[N@H+](CCOc1ccccc1C(N)=S)CC(=O)NC ZINC000042404984 183264451 /nfs/dbraw/zinc/26/44/51/183264451.db2.gz HDGOPILGIPGGSX-UHFFFAOYSA-N 1 0 309.435 1.158 10 0 DDAERO CCCN(CC(=O)NC)c1cc(Br)ccc1C[NH3+] ZINC000042405552 183265120 /nfs/dbraw/zinc/26/51/20/183265120.db2.gz TZHFKDSGMNDHNQ-UHFFFAOYSA-N 1 0 314.227 1.870 10 0 DDAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(C(N)=S)ccc1F ZINC000042428949 183269144 /nfs/dbraw/zinc/26/91/44/183269144.db2.gz WAPXREXLHPPSGU-MWLCHTKSSA-N 1 0 309.410 1.546 10 0 DDAERO COC[C@H](O)CN(C)c1nc2sccn2c1C[NH2+]C1CC1 ZINC000042511826 183278668 /nfs/dbraw/zinc/27/86/68/183278668.db2.gz XMYOZWNYVJTRJQ-LLVKDONJSA-N 1 0 310.423 1.091 10 0 DDAERO CCN(CC(=O)OC)S(=O)(=O)c1cccc([C@@H](C)[NH2+]C)c1 ZINC000042528302 183280887 /nfs/dbraw/zinc/28/08/87/183280887.db2.gz UXIQPPWCLJFVNR-LLVKDONJSA-N 1 0 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CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)NC(CC)CC)CC2 ZINC000105873249 194153604 /nfs/dbraw/zinc/15/36/04/194153604.db2.gz RGLPGYIEGVFGRM-WCQYABFASA-N 1 0 307.442 1.438 10 0 DDAERO O=C(CC[N@@H+]1CCC[C@H](Cn2cncn2)C1)NC1CCCC1 ZINC000105884411 194156798 /nfs/dbraw/zinc/15/67/98/194156798.db2.gz FJEXNIROVSVYOQ-AWEZNQCLSA-N 1 0 305.426 1.439 10 0 DDAERO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](C[C@H](O)COC(C)C)C2)n1 ZINC000105903843 194167309 /nfs/dbraw/zinc/16/73/09/194167309.db2.gz YZTTUYKORSSTRO-CVEARBPZSA-N 1 0 310.442 1.393 10 0 DDAERO COCC[N@@H+]1CCN(Cc2noc(-c3ccccc3)n2)C[C@@H]1C ZINC000105913814 194169940 /nfs/dbraw/zinc/16/99/40/194169940.db2.gz RUJVVSNGNFGLEC-AWEZNQCLSA-N 1 0 316.405 1.889 10 0 DDAERO CN(Cc1ccc(F)cc1)C(=O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000105926205 194170243 /nfs/dbraw/zinc/17/02/43/194170243.db2.gz OMUDSKTYSZKFLP-INIZCTEOSA-N 1 0 323.412 1.047 10 0 DDAERO Cc1ccc(NC(=O)[C@H](C)N2CCO[C@H](C[NH+](C)C)C2)cc1C ZINC000105925657 194170637 /nfs/dbraw/zinc/17/06/37/194170637.db2.gz 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CCN(CC)c1nc(Cl)nc(N2CCC[C@H]2C[NH+](C)C)n1 ZINC000061654806 184180933 /nfs/dbraw/zinc/18/09/33/184180933.db2.gz OXQTXXFHOCKAJJ-NSHDSACASA-N 1 0 312.849 1.902 10 0 DDAERO [NH3+]C[C@H](c1cc(Cl)c2c(c1)OCCO2)N1CCCOCC1 ZINC000061916608 184195215 /nfs/dbraw/zinc/19/52/15/184195215.db2.gz JEIBOJWRAIAHKS-CYBMUJFWSA-N 1 0 312.797 1.833 10 0 DDAERO CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCCOCC2)cc1 ZINC000061936044 184196592 /nfs/dbraw/zinc/19/65/92/184196592.db2.gz PKWTXTMLOWQMLM-CYBMUJFWSA-N 1 0 312.435 1.768 10 0 DDAERO C[C@@H]1CN(S(=O)(=O)c2cccc3c2CC[NH2+]C3)CCCO1 ZINC000061933450 184196716 /nfs/dbraw/zinc/19/67/16/184196716.db2.gz TVRLEKNQUBIFQA-GFCCVEGCSA-N 1 0 310.419 1.132 10 0 DDAERO CC[C@@H]([NH3+])[C@H](N1CCN(CC(F)(F)F)CC1)C(F)(F)F ZINC000061940874 184197400 /nfs/dbraw/zinc/19/74/00/184197400.db2.gz SGVFSLCSBFMZLZ-BDAKNGLRSA-N 1 0 307.282 1.835 10 0 DDAERO CCC[NH2+][C@H]1CCOC[C@H]1N1CCN(CC(F)(F)F)CC1 ZINC000061941306 184197599 /nfs/dbraw/zinc/19/75/99/184197599.db2.gz RNPZTVCYVYKEKU-QWHCGFSZSA-N 1 0 309.376 1.323 10 0 DDAERO CNS(=O)(=O)c1ccccc1N(C)c1cccc(C[NH3+])c1 ZINC000061951151 184198394 /nfs/dbraw/zinc/19/83/94/184198394.db2.gz RWZKXHSGGCRZKZ-UHFFFAOYSA-N 1 0 305.403 1.821 10 0 DDAERO NC(=O)[C@]1(Nc2cccc(Br)c2)CC[N@@H+](C2CC2)C1 ZINC000061991023 184199976 /nfs/dbraw/zinc/19/99/76/184199976.db2.gz XJZJQAGUUQRGHA-AWEZNQCLSA-N 1 0 324.222 1.953 10 0 DDAERO COc1ccccc1-c1nc(CC(=O)NCC[NH+](C)C)c(C)o1 ZINC000062065743 184203939 /nfs/dbraw/zinc/20/39/39/184203939.db2.gz JKLKYHOXLYOUNX-UHFFFAOYSA-N 1 0 317.389 1.879 10 0 DDAERO Cc1ccccc1-c1noc(CC(=O)NCCC[NH+](C)C)n1 ZINC000062066182 184203959 /nfs/dbraw/zinc/20/39/59/184203959.db2.gz AMJBGQPQLJQPMR-UHFFFAOYSA-N 1 0 302.378 1.655 10 0 DDAERO CC[C@@H](C)C[C@@](CC)(C[NH3+])N1CCN(S(C)(=O)=O)CC1 ZINC000062082509 184205081 /nfs/dbraw/zinc/20/50/81/184205081.db2.gz GFDDOZVIHGZERM-KGLIPLIRSA-N 1 0 305.488 1.107 10 0 DDAERO CNc1cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)ccn1 ZINC000062084408 184205161 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ZINC000062856679 184256834 /nfs/dbraw/zinc/25/68/34/184256834.db2.gz VHQNHTBQIKXQDJ-DZGCQCFKSA-N 1 0 316.467 1.192 10 0 DDAERO CCC[C@]1(C(=O)N2CCN(c3nccs3)CC2)CC[NH2+]C1 ZINC000062888755 184258612 /nfs/dbraw/zinc/25/86/12/184258612.db2.gz FBDITTKEMGFZKI-HNNXBMFYSA-N 1 0 308.451 1.572 10 0 DDAERO CCC[C@]1(c2nc3cc(S(C)(=O)=O)ccc3[nH]2)CC[NH2+]C1 ZINC000062915216 184259602 /nfs/dbraw/zinc/25/96/02/184259602.db2.gz ZUPOMYXKQPYWDF-HNNXBMFYSA-N 1 0 307.419 1.998 10 0 DDAERO C[C@@H]1CN(C(=O)[C@@H]2CCCO2)CC[N@@H+]1CCc1ccccc1 ZINC000062691026 184247603 /nfs/dbraw/zinc/24/76/03/184247603.db2.gz FSCKMVALTSLMDH-WBVHZDCISA-N 1 0 302.418 1.941 10 0 DDAERO O=S(=O)(c1ccnc(Cl)c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942523 184262191 /nfs/dbraw/zinc/26/21/91/184262191.db2.gz PGYXWNLETIAVDM-LLVKDONJSA-N 1 0 315.826 1.594 10 0 DDAERO COc1ccc(C)cc1S(=O)(=O)N[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000063213301 184278458 /nfs/dbraw/zinc/27/84/58/184278458.db2.gz LMOLKNMJRADBMM-QWHCGFSZSA-N 1 0 312.435 1.942 10 0 DDAERO [NH3+][C@H]1CCCCC[C@H]1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000063213717 184278882 /nfs/dbraw/zinc/27/88/82/184278882.db2.gz AWYMRISPKGUOIP-QWHCGFSZSA-N 1 0 304.362 1.903 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(Br)c(N)c2)C1 ZINC000062964325 184262973 /nfs/dbraw/zinc/26/29/73/184262973.db2.gz GWAWSBIRDPKXBX-SNVBAGLBSA-N 1 0 312.211 1.807 10 0 DDAERO Cc1ccsc1[C@H]([C@H](C)[NH3+])N1CC[C@H](N2CCOCC2)C1 ZINC000062977924 184264112 /nfs/dbraw/zinc/26/41/12/184264112.db2.gz HNEOZTOFCLVNCX-KKUMJFAQSA-N 1 0 309.479 1.851 10 0 DDAERO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(N)c1 ZINC000062975744 184264379 /nfs/dbraw/zinc/26/43/79/184264379.db2.gz XNLSLDNDSWMPMH-CYBMUJFWSA-N 1 0 309.435 1.436 10 0 DDAERO COC[C@@H](C)[NH2+]CCSc1ccc(S(C)(=O)=O)cc1 ZINC000063132087 184272730 /nfs/dbraw/zinc/27/27/30/184272730.db2.gz PMCDWHSNUADCKU-LLVKDONJSA-N 1 0 303.449 1.807 10 0 DDAERO CCOCCS(=O)(=O)Nc1ccc(C(C)(C)C[NH3+])cc1 ZINC000063153313 184274382 /nfs/dbraw/zinc/27/43/82/184274382.db2.gz UBQQGWURMREFKX-UHFFFAOYSA-N 1 0 300.424 1.701 10 0 DDAERO CCCCNC(=O)c1cccc(NC(=O)C[NH2+]CCOC)c1 ZINC000066224578 184398076 /nfs/dbraw/zinc/39/80/76/184398076.db2.gz YIIVBCMKYSZJSW-UHFFFAOYSA-N 1 0 307.394 1.391 10 0 DDAERO CC(C)C(=O)NCC[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000157347650 197180958 /nfs/dbraw/zinc/18/09/58/197180958.db2.gz JUKLWMQBJWEBMZ-MRXNPFEDSA-N 1 0 308.422 1.268 10 0 DDAERO C[C@H]([NH3+])C(=O)NCc1cccc(C(=O)NCc2ccco2)c1 ZINC000157191124 197169011 /nfs/dbraw/zinc/16/90/11/197169011.db2.gz BYDFCNRGMPDUME-NSHDSACASA-N 1 0 301.346 1.173 10 0 DDAERO Cc1ccc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)cn1 ZINC000120555022 195189126 /nfs/dbraw/zinc/18/91/26/195189126.db2.gz WZCGLJBMQSEMCA-CQSZACIVSA-N 1 0 302.378 1.025 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000177712284 285275058 /nfs/dbraw/zinc/27/50/58/285275058.db2.gz XRRHVGJPSIBVFD-LSDHHAIUSA-N 1 0 319.453 1.250 10 0 DDAERO O=C1CCCN1[C@H]1CCO[C@@]2(CC[N@@H+](C3CCOCC3)C2)C1 ZINC000247959192 257113099 /nfs/dbraw/zinc/11/30/99/257113099.db2.gz PIJYOMZWGCBBBO-RDJZCZTQSA-N 1 0 308.422 1.411 10 0 DDAERO O=C(C[C@@H]1C[C@@H]2C[N@H+](CC3CC3)C[C@@H]2O1)NCc1cccnc1 ZINC000247753409 257117990 /nfs/dbraw/zinc/11/79/90/257117990.db2.gz BVTDJZFHLDYKQI-IKGGRYGDSA-N 1 0 315.417 1.587 10 0 DDAERO O=C(C[C@@H]1C[C@@H]2CN(Cc3nccs3)C[C@@H]2O1)N1CCC1 ZINC000247757590 257118086 /nfs/dbraw/zinc/11/80/86/257118086.db2.gz FDYJOBWMPAVQOM-AGIUHOORSA-N 1 0 307.419 1.355 10 0 DDAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCCOC(=O)NC(N)=O ZINC000121026753 195282789 /nfs/dbraw/zinc/28/27/89/195282789.db2.gz LKIQKYWDNDQKAQ-GFCCVEGCSA-N 1 0 323.397 1.369 10 0 DDAERO CC(C)C(=O)Nc1ccc2c(c1)N(CCC[NH+](C)C)C(=O)CO2 ZINC000012118619 134501322 /nfs/dbraw/zinc/50/13/22/134501322.db2.gz PFBCRVNEVZQTQX-UHFFFAOYSA-N 1 0 319.405 1.958 10 0 DDAERO C[C@H](CC(=O)N1CCOCC1)[NH2+][C@@H](C)[C@H](O)c1ccc(O)cc1 ZINC000008328510 406786393 /nfs/dbraw/zinc/78/63/93/406786393.db2.gz ZVHPHSYDFMZOHV-IGCXYCKISA-N 1 0 322.405 1.041 10 0 DDAERO C[C@H]1C[C@H]1NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000075979179 406948840 /nfs/dbraw/zinc/94/88/40/406948840.db2.gz DTCZBZCVDBTGDW-DOTOQJQBSA-N 1 0 316.449 1.906 10 0 DDAERO CN1CC[NH+](CC2(Cn3ccnc3-c3cccnc3)CC2)CC1 ZINC000077342108 406985195 /nfs/dbraw/zinc/98/51/95/406985195.db2.gz UPDHJKXCTIUNGX-UHFFFAOYSA-N 1 0 311.433 1.973 10 0 DDAERO CSC[C@@H](CCO)NC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000077776931 407008113 /nfs/dbraw/zinc/00/81/13/407008113.db2.gz PRVMTIGDPSRJHG-OLZOCXBDSA-N 1 0 305.488 1.376 10 0 DDAERO C[NH2+][C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000052395594 407150369 /nfs/dbraw/zinc/15/03/69/407150369.db2.gz QSUJVVYIBDVQLC-SSDOTTSWSA-N 1 0 304.131 1.838 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCNC(=O)c2ccccc2)C1 ZINC000052522501 407151556 /nfs/dbraw/zinc/15/15/56/407151556.db2.gz FEPBNTZRIGUPQD-OAHLLOKOSA-N 1 0 318.421 1.200 10 0 DDAERO Cc1nn(-c2ccccc2)c(C)c1[C@@H](C[NH3+])N1CCOCC1 ZINC000053994329 407176070 /nfs/dbraw/zinc/17/60/70/407176070.db2.gz LREVCCMICIXHTC-MRXNPFEDSA-N 1 0 300.406 1.821 10 0 DDAERO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCCN(C(N)=O)CC1 ZINC000102180193 407320599 /nfs/dbraw/zinc/32/05/99/407320599.db2.gz XXFHSYRZYRWSFR-UONOGXRCSA-N 1 0 318.421 1.339 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000123591595 407333487 /nfs/dbraw/zinc/33/34/87/407333487.db2.gz ZYPYJAOLLYSACD-INIZCTEOSA-N 1 0 315.421 1.360 10 0 DDAERO CCCC(=O)N[C@H]1CCCN(CC(=O)NCc2ccccc2)C1 ZINC000101565476 407311062 /nfs/dbraw/zinc/31/10/62/407311062.db2.gz FITZROPHNNVOLM-INIZCTEOSA-N 1 0 317.433 1.684 10 0 DDAERO CNc1c(Cl)ncnc1NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000124943866 407374920 /nfs/dbraw/zinc/37/49/20/407374920.db2.gz GFVLZKQJMQJKHF-LLVKDONJSA-N 1 0 313.833 1.676 10 0 DDAERO CCCCN(C)S(=O)(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000125522353 407390185 /nfs/dbraw/zinc/39/01/85/407390185.db2.gz XZKQYOFMWCOAJB-HNNXBMFYSA-N 1 0 313.467 1.856 10 0 DDAERO CNC(=O)[C@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000111635634 407412933 /nfs/dbraw/zinc/41/29/33/407412933.db2.gz SVORQXVOXNZCGE-JKSUJKDBSA-N 1 0 317.433 1.144 10 0 DDAERO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(Cn2cccn2)CC1 ZINC000126431337 407413111 /nfs/dbraw/zinc/41/31/11/407413111.db2.gz STVYFNBCNYVKCJ-INIZCTEOSA-N 1 0 304.438 1.996 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc(N2CCOCC2)s1 ZINC000126688622 407419310 /nfs/dbraw/zinc/41/93/10/407419310.db2.gz NUINWPKPJQJGSA-ZIAGYGMSSA-N 1 0 322.478 1.648 10 0 DDAERO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+]C[C@H]2CN(C)CCO2)c1 ZINC000112548924 407431892 /nfs/dbraw/zinc/43/18/92/407431892.db2.gz ARURDEZGADYHJR-LRDDRELGSA-N 1 0 319.405 1.136 10 0 DDAERO CCNC(=O)NC1(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CCCC1 ZINC000113225521 407476968 /nfs/dbraw/zinc/47/69/68/407476968.db2.gz BHIZWARNPRLCAU-UONOGXRCSA-N 1 0 322.453 1.313 10 0 DDAERO COc1cc(OC)c(CN2CCO[C@H](C[NH+](C)C)C2)c(OC)c1 ZINC000128047381 407491227 /nfs/dbraw/zinc/49/12/27/407491227.db2.gz XNLDFAQLKRQJAX-CQSZACIVSA-N 1 0 324.421 1.475 10 0 DDAERO C[NH+](C)C[C@@H]1CN(Cc2ccc(N3CCCC3)nc2)CCO1 ZINC000128128162 407500657 /nfs/dbraw/zinc/50/06/57/407500657.db2.gz PNFBTUWAPUGUFR-MRXNPFEDSA-N 1 0 304.438 1.444 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1cccs1 ZINC000113444693 407504126 /nfs/dbraw/zinc/50/41/26/407504126.db2.gz NYCCVJAECBVBSS-NWDGAFQWSA-N 1 0 307.419 1.173 10 0 DDAERO Cc1ccc([C@H](C)NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)o1 ZINC000185561226 407452040 /nfs/dbraw/zinc/45/20/40/407452040.db2.gz JOBIVTOLVKXXIJ-ZFWWWQNUSA-N 1 0 322.453 1.974 10 0 DDAERO CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261705270 407586792 /nfs/dbraw/zinc/58/67/92/407586792.db2.gz IJTHSGGMJBURTJ-QLFBSQMISA-N 1 0 312.454 1.698 10 0 DDAERO Cc1ccccc1CCNC(=O)[C@@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178623245 407514096 /nfs/dbraw/zinc/51/40/96/407514096.db2.gz RKMSUKUUPDIJNM-SJLPKXTDSA-N 1 0 315.461 1.822 10 0 DDAERO COC(=O)c1ccc(CCNC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170827997 407521936 /nfs/dbraw/zinc/52/19/36/407521936.db2.gz NNJFKLCZTPHIGG-OAHLLOKOSA-N 1 0 319.405 1.361 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(N3CCCC3=O)c2)C1 ZINC000170859380 407534316 /nfs/dbraw/zinc/53/43/16/407534316.db2.gz PVVLZERMAUVSRY-OAHLLOKOSA-N 1 0 301.390 1.590 10 0 DDAERO CC(=O)c1cccc(O[C@@H](C)C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170864365 407539010 /nfs/dbraw/zinc/53/90/10/407539010.db2.gz JAXXKAVZTNHVHV-ZFWWWQNUSA-N 1 0 304.390 1.819 10 0 DDAERO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2noc(CN)n2)C1 ZINC000261613222 407550610 /nfs/dbraw/zinc/55/06/10/407550610.db2.gz CBXVQVCGVYTJMY-ZIAGYGMSSA-N 1 0 307.442 1.615 10 0 DDAERO COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261754698 407602851 /nfs/dbraw/zinc/60/28/51/407602851.db2.gz MZOHHLIQOQFKTN-TUVASFSCSA-N 1 0 310.438 1.990 10 0 DDAERO C[C@H](C(=O)NCc1ccccc1F)N1CCO[C@H](C[NH+](C)C)C1 ZINC000114803105 407615933 /nfs/dbraw/zinc/61/59/33/407615933.db2.gz PUSSYJWOUBYLKN-UKRRQHHQSA-N 1 0 323.412 1.093 10 0 DDAERO CN(C)C(=O)c1ccc(NC(=O)C2(C[NH3+])CCOCC2)cc1 ZINC000261822016 407628042 /nfs/dbraw/zinc/62/80/42/407628042.db2.gz ARYYFUSYFPMEIV-UHFFFAOYSA-N 1 0 305.378 1.082 10 0 DDAERO Cc1cnn(CC2CCN(C(=O)[C@@H]([NH3+])C3CCOCC3)CC2)c1 ZINC000261837610 407633781 /nfs/dbraw/zinc/63/37/81/407633781.db2.gz IMRYAWHESHZUEU-INIZCTEOSA-N 1 0 320.437 1.184 10 0 DDAERO CCCN(CC[NH+](CC)CC)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000152560385 407652494 /nfs/dbraw/zinc/65/24/94/407652494.db2.gz KKBKBGVGGTZLMS-OAHLLOKOSA-N 1 0 314.474 1.080 10 0 DDAERO CC(C)COc1cccc(CNC(=O)C2([NH3+])CCOCC2)c1 ZINC000261885833 407656128 /nfs/dbraw/zinc/65/61/28/407656128.db2.gz PTLJUHFGHGCNGF-UHFFFAOYSA-N 1 0 306.406 1.846 10 0 DDAERO C[NH2+][C@H](C)Cc1noc([C@H](C)n2nnc(-c3ccccc3)n2)n1 ZINC000261894490 407661115 /nfs/dbraw/zinc/66/11/15/407661115.db2.gz XUOAVGNKHDBVBU-MNOVXSKESA-N 1 0 313.365 1.483 10 0 DDAERO COc1ccccc1CCN(C)C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261929380 407675738 /nfs/dbraw/zinc/67/57/38/407675738.db2.gz ZQHTXSLCVIBWDL-MRXNPFEDSA-N 1 0 306.406 1.450 10 0 DDAERO CCc1nnc(CN(C)[C@H]2CCCN(c3cccnn3)C2)n1C ZINC000171552162 407701031 /nfs/dbraw/zinc/70/10/31/407701031.db2.gz ZCBWKGLDTQQKIK-ZDUSSCGKSA-N 1 0 315.425 1.268 10 0 DDAERO CN(C)[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CCSC1 ZINC000261998414 407706756 /nfs/dbraw/zinc/70/67/56/407706756.db2.gz UGFASBVYTCBRJI-FPCVCCKLSA-N 1 0 313.511 1.170 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@H](O)COc1ccc(F)cc1 ZINC000171645946 407730480 /nfs/dbraw/zinc/73/04/80/407730480.db2.gz YRXDOEIPBIFBQO-HOTGVXAUSA-N 1 0 310.413 1.982 10 0 DDAERO C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2)C[C@@H]1[NH3+] ZINC000235660009 407719031 /nfs/dbraw/zinc/71/90/31/407719031.db2.gz CNTNHWYLWGYPPC-KWQFWETISA-N 1 0 319.224 1.417 10 0 DDAERO COc1cc(C)cc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000179097815 407720666 /nfs/dbraw/zinc/72/06/66/407720666.db2.gz ISHCXBHULRTWHN-HNNXBMFYSA-N 1 0 303.406 1.993 10 0 DDAERO FC(F)(F)c1nnc2ccc(NC[C@@H]3CCC[NH2+]C3)nn21 ZINC000236127976 407723421 /nfs/dbraw/zinc/72/34/21/407723421.db2.gz KXUSPSWGADKVEH-MRVPVSSYSA-N 1 0 300.288 1.555 10 0 DDAERO COc1ccccc1COC[C@@H](O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171626630 407724122 /nfs/dbraw/zinc/72/41/22/407724122.db2.gz NEKUVWMLRZBWMN-SJORKVTESA-N 1 0 320.433 1.353 10 0 DDAERO Cn1cc([C@H]2CCN(C(=O)NC3CC[NH+](C4CC4)CC3)C2)cn1 ZINC000116415984 407754019 /nfs/dbraw/zinc/75/40/19/407754019.db2.gz HKRWUZQUVIFASA-ZDUSSCGKSA-N 1 0 317.437 1.546 10 0 DDAERO CCC[C@@H](C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1)[NH+](C)C ZINC000179149332 407738385 /nfs/dbraw/zinc/73/83/85/407738385.db2.gz DCLBHIDPOZTUHA-OLZOCXBDSA-N 1 0 307.442 1.563 10 0 DDAERO CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]2c2ccco2)CC1 ZINC000116295784 407742122 /nfs/dbraw/zinc/74/21/22/407742122.db2.gz PCXAGGXTSUDRPD-LSDHHAIUSA-N 1 0 305.422 1.969 10 0 DDAERO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116310676 407742563 /nfs/dbraw/zinc/74/25/63/407742563.db2.gz CJMIPMJLMZBAOS-ZNMIVQPWSA-N 1 0 304.438 1.999 10 0 DDAERO NCc1nc(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)no1 ZINC000262122898 407745625 /nfs/dbraw/zinc/74/56/25/407745625.db2.gz CGMIHQRJKARNCF-CQSZACIVSA-N 1 0 307.442 1.616 10 0 DDAERO C[C@H]1Cc2cc(S(=O)(=O)N3CC[N@@H+]4CCC[C@@H]4C3)ccc2O1 ZINC000171770653 407763431 /nfs/dbraw/zinc/76/34/31/407763431.db2.gz RFYMAXAYESFMKU-GXTWGEPZSA-N 1 0 322.430 1.479 10 0 DDAERO CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC1CC[NH2+]CC1 ZINC000262206794 407765917 /nfs/dbraw/zinc/76/59/17/407765917.db2.gz WFPUGRFUPMFFTF-OAHLLOKOSA-N 1 0 321.396 1.448 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000262241304 407771351 /nfs/dbraw/zinc/77/13/51/407771351.db2.gz HTAWWKKIWFKYLU-RISCZKNCSA-N 1 0 302.378 1.509 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)COc2ccccc2Cl)CCO1 ZINC000116784475 407775063 /nfs/dbraw/zinc/77/50/63/407775063.db2.gz TWXRZCWSRJFXLC-LBPRGKRZSA-N 1 0 312.797 1.508 10 0 DDAERO COc1ccc(Cl)cc1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116784674 407776652 /nfs/dbraw/zinc/77/66/52/407776652.db2.gz YVLSRIKLKFJBBO-LBPRGKRZSA-N 1 0 312.797 1.751 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1 ZINC000262271333 407781183 /nfs/dbraw/zinc/78/11/83/407781183.db2.gz KKUSSLHKSPPKHG-OAHLLOKOSA-N 1 0 307.394 1.356 10 0 DDAERO C[C@@H](Cc1cccc(F)c1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116793310 407779702 /nfs/dbraw/zinc/77/97/02/407779702.db2.gz HFTUSWKFLILZMZ-XJKSGUPXSA-N 1 0 308.397 1.793 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1nnc(-c2ccccc2Cl)s1 ZINC000262315887 407796277 /nfs/dbraw/zinc/79/62/77/407796277.db2.gz PTTHXXDNPIDQCV-VIFPVBQESA-N 1 0 312.782 1.771 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)NCc2ccccc2Cl)CCO1 ZINC000116928785 407798773 /nfs/dbraw/zinc/79/87/73/407798773.db2.gz BWLACLQRRJPEAB-ZDUSSCGKSA-N 1 0 311.813 1.812 10 0 DDAERO COC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](OC)c1ccc(Cl)cc1 ZINC000262335163 407803414 /nfs/dbraw/zinc/80/34/14/407803414.db2.gz SBCDRYGFFUXSGP-XDTLVQLUSA-N 1 0 300.786 1.506 10 0 DDAERO CCN(CC)c1ccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000116977849 407804934 /nfs/dbraw/zinc/80/49/34/407804934.db2.gz ANMHEQRACHGGPR-KRWDZBQOSA-N 1 0 319.449 1.935 10 0 DDAERO Cc1ccc(CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c(C)c1 ZINC000117035872 407805612 /nfs/dbraw/zinc/80/56/12/407805612.db2.gz BCMRHBJSTGWSJG-INIZCTEOSA-N 1 0 305.422 1.775 10 0 DDAERO COc1cccc(CCNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000117030193 407807017 /nfs/dbraw/zinc/80/70/17/407807017.db2.gz VDWRUEFJSIASJI-INIZCTEOSA-N 1 0 321.421 1.210 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCn1cnc2ccccc2c1=O ZINC000117341858 407829634 /nfs/dbraw/zinc/82/96/34/407829634.db2.gz HXGXUPILOMYHJW-LSDHHAIUSA-N 1 0 312.417 1.565 10 0 DDAERO CC(=O)N[C@H](CC(=O)N[C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000262650276 407891535 /nfs/dbraw/zinc/89/15/35/407891535.db2.gz XDNBYWFSPANXKZ-HRCADAONSA-N 1 0 303.406 1.498 10 0 DDAERO [NH3+][C@H](CCO)c1c(Br)cncc1Br ZINC000238668980 407898675 /nfs/dbraw/zinc/89/86/75/407898675.db2.gz FYHANIQBBAQIPM-SSDOTTSWSA-N 1 0 309.989 1.989 10 0 DDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccnc(OC2CCOCC2)c1 ZINC000262693102 407901187 /nfs/dbraw/zinc/90/11/87/407901187.db2.gz BNIASGYFFDWHKO-BLLLJJGKSA-N 1 0 321.421 1.629 10 0 DDAERO O=C([C@H]1CC(F)(F)CN1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000262729581 407910582 /nfs/dbraw/zinc/91/05/82/407910582.db2.gz BJGLJAGJUIDPCY-OAHLLOKOSA-N 1 0 323.387 1.718 10 0 DDAERO CCOc1cccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000118808487 407947674 /nfs/dbraw/zinc/94/76/74/407947674.db2.gz YBDMQYJJJRFMKY-HNNXBMFYSA-N 1 0 307.394 1.880 10 0 DDAERO C[C@H](O)CN1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@@H]1C ZINC000245416303 407970189 /nfs/dbraw/zinc/97/01/89/407970189.db2.gz FAYNUZNFBLZYTD-JYJNAYRXSA-N 1 0 311.470 1.164 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NC(=O)NC1CCCC1 ZINC000245413700 407970809 /nfs/dbraw/zinc/97/08/09/407970809.db2.gz BRUOWHJMNCRDCK-GJZGRUSLSA-N 1 0 322.453 1.313 10 0 DDAERO [NH3+]Cc1cc(NC(=O)[C@@H]2CNC(=O)C2)cc(C(F)(F)F)c1 ZINC000262928221 407975357 /nfs/dbraw/zinc/97/53/57/407975357.db2.gz 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O=C1O[C@H](C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)CC12CCC2 ZINC000192027087 163213923 /nfs/dbraw/zinc/21/39/23/163213923.db2.gz IOQGASQTLXRDTK-KGLIPLIRSA-N 1 0 304.394 1.476 10 0 DDAERO O=C(Cc1cnn(-c2ccccc2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195326119 163317305 /nfs/dbraw/zinc/31/73/05/163317305.db2.gz XYZBSDOFPAASNO-QGZVFWFLSA-N 1 0 310.401 1.721 10 0 DDAERO Cc1csc([C@H]2CCC[N@H+](CCCN3C(=O)CNC3=O)C2)n1 ZINC000195338884 163318527 /nfs/dbraw/zinc/31/85/27/163318527.db2.gz JYLFAAIOIKROBV-LBPRGKRZSA-N 1 0 322.434 1.573 10 0 DDAERO CCc1csc([C@@H]2CCC[N@H+](CCCC(=O)NC(N)=O)C2)n1 ZINC000195384165 163320556 /nfs/dbraw/zinc/32/05/56/163320556.db2.gz OOANPEQSFCAMBU-LLVKDONJSA-N 1 0 324.450 1.860 10 0 DDAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CCc2nc(CC)nn2C1 ZINC000247229428 163553672 /nfs/dbraw/zinc/55/36/72/163553672.db2.gz RBRMMEZEWUDTAO-AVGNSLFASA-N 1 0 307.442 1.438 10 0 DDAERO COc1ccccc1COC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000248631098 163604012 /nfs/dbraw/zinc/60/40/12/163604012.db2.gz 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CC1(C)CN(S(=O)(=O)c2cnc3ccccc3c2)CC[C@H]1[NH3+] ZINC000261879689 163720747 /nfs/dbraw/zinc/72/07/47/163720747.db2.gz ULLYPFPOXQKMGS-OAHLLOKOSA-N 1 0 319.430 1.983 10 0 DDAERO CCc1cnc(N2CCN(C(=O)[C@H]3CCC[C@H]([NH3+])C3)CC2)s1 ZINC000262246540 163792325 /nfs/dbraw/zinc/79/23/25/163792325.db2.gz CIWLZPVFPJKERQ-STQMWFEESA-N 1 0 322.478 1.872 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc(C(F)(F)F)ccc1F ZINC000262284213 163798451 /nfs/dbraw/zinc/79/84/51/163798451.db2.gz ODSJUVUKXBKIJF-HQJQHLMTSA-N 1 0 306.259 1.155 10 0 DDAERO Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc(C)c1OC(F)F ZINC000262410398 163825133 /nfs/dbraw/zinc/82/51/33/163825133.db2.gz ZDXBYIKBYGCZSQ-RYUDHWBXSA-N 1 0 314.332 1.215 10 0 DDAERO C[C@@H](NC(=O)Nc1ccccc1)C(=O)NC1(C[NH3+])CCCC1 ZINC000262596020 163855686 /nfs/dbraw/zinc/85/56/86/163855686.db2.gz JFEDTTCHOKWNER-GFCCVEGCSA-N 1 0 304.394 1.584 10 0 DDAERO Cn1cc(C[NH2+][C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)cn1 ZINC000343467280 410474823 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GQLNAOGERVPPAG-BMFZPTHFSA-N 1 0 315.417 1.007 10 0 DDAERO O[C@@]1(c2cn[nH]n2)CCC[N@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000583617879 422200929 /nfs/dbraw/zinc/20/09/29/422200929.db2.gz DDFNFKDUMNLICL-KRWDZBQOSA-N 1 0 314.389 1.266 10 0 DDAERO C[N@@H+]1CC[C@@]23c4c5c(O)ccc4[C@H](O)[C@@H]1[C@@H]2CCC(=O)[C@H]3O5 ZINC000575417822 422296886 /nfs/dbraw/zinc/29/68/86/422296886.db2.gz WKSFOMWOSCLDLO-RPWNVEBUSA-N 1 0 301.342 1.121 10 0 DDAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NC[C@H]1CCC[C@H]1O ZINC000637966127 422515603 /nfs/dbraw/zinc/51/56/03/422515603.db2.gz XDWJNGUGESPFRN-LCGIIJARSA-N 1 0 306.406 1.196 10 0 DDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1c(Br)cnn1C ZINC000638880234 423172608 /nfs/dbraw/zinc/17/26/08/423172608.db2.gz YGGJNYMVLWAAQV-IUCAKERBSA-N 1 0 315.215 1.187 10 0 DDAERO CC(C)(C)OC(=O)NC1CCC([NH2+]CC(C)(C)C(N)=O)CC1 ZINC000180913608 263366365 /nfs/dbraw/zinc/36/63/65/263366365.db2.gz LAXSSGNJYAQHLU-UHFFFAOYSA-N 1 0 313.442 1.923 10 0 DDAERO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CNC(=O)C1)c1ccsc1 ZINC000194869800 263528242 /nfs/dbraw/zinc/52/82/42/263528242.db2.gz MNIPEUSUEJUJNO-STQMWFEESA-N 1 0 309.435 1.383 10 0 DDAERO C[C@H](CC[NH2+]C1CCS(=O)(=O)CC1)NC(=O)OC(C)(C)C ZINC000227669364 263547830 /nfs/dbraw/zinc/54/78/30/263547830.db2.gz YYOIJGQQYUJOAM-LLVKDONJSA-N 1 0 320.455 1.457 10 0 DDAERO CCn1cc(C[NH2+]C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)cn1 ZINC000284459484 271003269 /nfs/dbraw/zinc/00/32/69/271003269.db2.gz HISRWFROSARWCI-DOTOQJQBSA-N 1 0 316.453 1.809 10 0 DDAERO CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](OC)C[C@H]2CO)cc1 ZINC000345474826 272260461 /nfs/dbraw/zinc/26/04/61/272260461.db2.gz PHFZSRAXVPVHDB-IRXDYDNUSA-N 1 0 320.433 1.750 10 0 DDAERO C[NH2+]C[C@@H]1CCCN1c1ccc2nnc(C(F)(F)F)n2n1 ZINC000234396490 273964849 /nfs/dbraw/zinc/96/48/49/273964849.db2.gz HKAZSARHQSEWAB-QMMMGPOBSA-N 1 0 300.288 1.331 10 0 DDAERO COc1nc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ncc1Br ZINC000261566482 274168119 /nfs/dbraw/zinc/16/81/19/274168119.db2.gz 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C[C@H](O)C[N@@H+]1CCN(CCCCC(=O)OC(C)(C)C)C[C@@H]1C ZINC000248443134 282083154 /nfs/dbraw/zinc/08/31/54/282083154.db2.gz FKNYDUBFLSWPEE-GJZGRUSLSA-N 1 0 314.470 1.885 10 0 DDAERO CCC[NH2+][C@@H]1CCC2(C[C@H]1SCCC(=O)OC)OCCO2 ZINC000081790101 192324168 /nfs/dbraw/zinc/32/41/68/192324168.db2.gz FHBIQKYIWKLQGX-CHWSQXEVSA-N 1 0 317.451 1.947 10 0 DDAERO Cn1nnnc1SC[C@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000081843387 192331047 /nfs/dbraw/zinc/33/10/47/192331047.db2.gz QWWPVMOXHTZERQ-JTQLQIEISA-N 1 0 307.379 1.164 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)NC[C@]2(C)CCCS2)CCO1 ZINC000153374772 282123910 /nfs/dbraw/zinc/12/39/10/282123910.db2.gz HNKVWQITVWCFDV-OCCSQVGLSA-N 1 0 301.456 1.244 10 0 DDAERO CC[C@H](C)S(=O)(=O)C[C@@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000081938113 192342128 /nfs/dbraw/zinc/34/21/28/192342128.db2.gz WEFVAFIAAPFGTR-CMPLNLGQSA-N 1 0 301.408 1.917 10 0 DDAERO CC[NH2+][C@H]1CCOC[C@H]1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000081934463 192342273 /nfs/dbraw/zinc/34/22/73/192342273.db2.gz KODZCPPCPLETAK-QWHCGFSZSA-N 1 0 305.346 1.506 10 0 DDAERO C[NH2+][C@@H]1CCC[C@H]1S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000081936124 192342483 /nfs/dbraw/zinc/34/24/83/192342483.db2.gz FTPGINPKPFQFMB-IUODEOHRSA-N 1 0 311.403 1.762 10 0 DDAERO CC(C)[C@H]1CCCN(S(=O)(=O)N2CCC[NH2+]CC2)CC1 ZINC000079348524 185165761 /nfs/dbraw/zinc/16/57/61/185165761.db2.gz ICKWAAJYRDRSLI-AWEZNQCLSA-N 1 0 303.472 1.285 10 0 DDAERO CCC[NH2+][C@H]1CCC2(C[C@@H]1S(=O)(=O)CCC)OCCO2 ZINC000081961322 192346290 /nfs/dbraw/zinc/34/62/90/192346290.db2.gz XKTDLVVTSFKEDY-STQMWFEESA-N 1 0 305.440 1.475 10 0 DDAERO Cc1nccn1-c1cncc(N2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000328677285 231302444 /nfs/dbraw/zinc/30/24/44/231302444.db2.gz AMZMPJJWNVWIDC-HNNXBMFYSA-N 1 0 312.421 1.893 10 0 DDAERO CCN1CCO[C@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000134617262 539192654 /nfs/dbraw/zinc/19/26/54/539192654.db2.gz JKEJPLKZZLHJJV-CYBMUJFWSA-N 1 0 314.227 1.654 10 0 DDAERO [NH3+]C[C@H](C1CC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000087384675 185223422 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ZINC000087832632 185232762 /nfs/dbraw/zinc/23/27/62/185232762.db2.gz KESBQTMSWRIERH-ZDUSSCGKSA-N 1 0 307.463 1.855 10 0 DDAERO CSC[C@H](C)CNc1nc(NN)[nH+]cc1Br ZINC000087878642 185234023 /nfs/dbraw/zinc/23/40/23/185234023.db2.gz WGVBDXSRDTYSOP-ZCFIWIBFSA-N 1 0 306.233 1.936 10 0 DDAERO NNc1nc(OC[C@@H]2CCCCO2)c(Br)c[nH+]1 ZINC000087878434 185234239 /nfs/dbraw/zinc/23/42/39/185234239.db2.gz UEVODEGOCRREGV-ZETCQYMHSA-N 1 0 303.160 1.473 10 0 DDAERO CNS(=O)(=O)c1ccc(OC[C@H]2CCCC[N@@H+]2C)c(N)c1 ZINC000088165378 185240927 /nfs/dbraw/zinc/24/09/27/185240927.db2.gz OYKPWKCSLZHOKA-LLVKDONJSA-N 1 0 313.423 1.040 10 0 DDAERO [NH3+]Cc1cnccc1-n1cc(I)cn1 ZINC000088115541 185239872 /nfs/dbraw/zinc/23/98/72/185239872.db2.gz QNWWBJLRJILUNC-UHFFFAOYSA-N 1 0 300.103 1.331 10 0 DDAERO CC1(C)C[NH2+]CCN1S(=O)(=O)c1ccc(Cl)cc1F ZINC000088139327 185240559 /nfs/dbraw/zinc/24/05/59/185240559.db2.gz BTCBYWQGPUQBLK-UHFFFAOYSA-N 1 0 306.790 1.852 10 0 DDAERO CC(C)COC[C@@H]([NH2+]C[C@H](O)CN1CCCC1=O)c1ccco1 ZINC000184203416 539244041 /nfs/dbraw/zinc/24/40/41/539244041.db2.gz VNLCGGCOYCLZGU-LSDHHAIUSA-N 1 0 324.421 1.566 10 0 DDAERO CCCCc1nnc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCCO2)s1 ZINC000183145975 539241212 /nfs/dbraw/zinc/24/12/12/539241212.db2.gz XEXXKFWJUWYITH-QWRGUYRKSA-N 1 0 312.439 1.976 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(F)cc1)C(C)C ZINC000183641138 539242836 /nfs/dbraw/zinc/24/28/36/539242836.db2.gz IIQJVXNLWRFRED-MLGOLLRUSA-N 1 0 323.412 1.705 10 0 DDAERO CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCC[NH+](CC)CC ZINC000088478449 185252596 /nfs/dbraw/zinc/25/25/96/185252596.db2.gz AGCXOVADQRIRKC-LBPRGKRZSA-N 1 0 308.430 1.316 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2(C)C)o1 ZINC000088544314 185256843 /nfs/dbraw/zinc/25/68/43/185256843.db2.gz AKOLUCRGQUPAGV-UHFFFAOYSA-N 1 0 302.396 1.189 10 0 DDAERO CCCCOCCNS(=O)(=O)c1ccc(C[NH2+]CCC)o1 ZINC000088542809 185256199 /nfs/dbraw/zinc/25/61/99/185256199.db2.gz OWGMBSRGXDAARQ-UHFFFAOYSA-N 1 0 318.439 1.874 10 0 DDAERO CC(C)(C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000088543418 185256601 /nfs/dbraw/zinc/25/66/01/185256601.db2.gz FFARYURITZYVAS-UHFFFAOYSA-N 1 0 302.396 1.189 10 0 DDAERO CCOC(=O)CS(=O)(=O)[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1[NH3+] ZINC000081977947 192349091 /nfs/dbraw/zinc/34/90/91/192349091.db2.gz AHECBSCCPBMVGU-FRRDWIJNSA-N 1 0 319.467 1.897 10 0 DDAERO Cc1nnc2sc(C(=O)N3CCC[NH2+]CC3)c(N)c2c1C ZINC000088641218 185260811 /nfs/dbraw/zinc/26/08/11/185260811.db2.gz PAZFZAAUPJBSIL-UHFFFAOYSA-N 1 0 305.407 1.326 10 0 DDAERO CC[NH+](CC)C[C@@H](C)NC(=O)c1sc2nccnc2c1N ZINC000088642699 185261358 /nfs/dbraw/zinc/26/13/58/185261358.db2.gz RVJXOGGYWLOCAE-SECBINFHSA-N 1 0 307.423 1.734 10 0 DDAERO C[NH2+]CCN(C)C(=O)[C@H](NC(=O)Cc1ccccc1)C(C)C ZINC000237315757 290660918 /nfs/dbraw/zinc/66/09/18/290660918.db2.gz DGJJUCJCVRYSLI-MRXNPFEDSA-N 1 0 305.422 1.048 10 0 DDAERO C[C@H](CC[NH2+]C1CCN(C(N)=O)CC1)NC(=O)OC(C)(C)C ZINC000221971325 539265173 /nfs/dbraw/zinc/26/51/73/539265173.db2.gz YCAFBBGZHUHCRJ-LLVKDONJSA-N 1 0 314.430 1.422 10 0 DDAERO CC[NH2+]CCc1nnc(-c2ccc(S(C)(=O)=O)cc2)s1 ZINC000088822852 185266515 /nfs/dbraw/zinc/26/65/15/185266515.db2.gz UZQSBNTZZXGEME-UHFFFAOYSA-N 1 0 311.432 1.761 10 0 DDAERO CC1(C)CN([C@H]2C=CS(=O)(=O)C2)[C@H](c2ccccc2)C[NH2+]1 ZINC000088860407 185267488 /nfs/dbraw/zinc/26/74/88/185267488.db2.gz YOLKBDABNBZRHJ-GJZGRUSLSA-N 1 0 306.431 1.722 10 0 DDAERO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000248216989 539271705 /nfs/dbraw/zinc/27/17/05/539271705.db2.gz ZVSKLGFIRKYIDU-LTIDMASMSA-N 1 0 313.438 1.170 10 0 DDAERO C[NH2+][C@H]1CCC2(C[C@@H]1S(=O)(=O)C1CCCCC1)OCCO2 ZINC000081978915 192349522 /nfs/dbraw/zinc/34/95/22/192349522.db2.gz AKKNTXUOPDKMTQ-KBPBESRZSA-N 1 0 317.451 1.618 10 0 DDAERO Cc1ccc([C@H]([NH3+])C[S@](=O)CCS(C)(=O)=O)cc1C ZINC000081991974 192351532 /nfs/dbraw/zinc/35/15/32/192351532.db2.gz DNRQIXMHYQIUJZ-ACJLOTCBSA-N 1 0 303.449 1.097 10 0 DDAERO CCN(C1C[NH2+]C1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000090291451 185289723 /nfs/dbraw/zinc/28/97/23/185289723.db2.gz JVUUKOJGLPTLKN-UHFFFAOYSA-N 1 0 324.324 1.568 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000090313067 185290787 /nfs/dbraw/zinc/29/07/87/185290787.db2.gz KVFAOBOEZPLGCA-FOGDFJRCSA-N 1 0 322.789 1.262 10 0 DDAERO CCCS(=O)(=O)c1ccc(N2C[C@@H]3C[NH2+]C[C@@H]3[C@@H]2C)cc1 ZINC000090328333 185291354 /nfs/dbraw/zinc/29/13/54/185291354.db2.gz JLWPOHDSNBCREB-HEHGZKQESA-N 1 0 308.447 1.914 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)CC1CCCCC1 ZINC000090331771 185291629 /nfs/dbraw/zinc/29/16/29/185291629.db2.gz CPILOLGTRIHQSV-RBSFLKMASA-N 1 0 300.468 1.826 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1S(=O)(=O)c1c(F)cccc1F ZINC000090337057 185291751 /nfs/dbraw/zinc/29/17/51/185291751.db2.gz YVSVKUVDEUEOFO-VHSXEESVSA-N 1 0 316.373 1.583 10 0 DDAERO Cc1ccc(F)cc1S(=O)(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000090336737 185291769 /nfs/dbraw/zinc/29/17/69/185291769.db2.gz YSENEVILPSDVFT-YPMHNXCESA-N 1 0 312.410 1.753 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)/C=C/c1ccccc1 ZINC000090336839 185291914 /nfs/dbraw/zinc/29/19/14/185291914.db2.gz MAEKJUSGKQKDKA-VMFRVMOISA-N 1 0 306.431 1.917 10 0 DDAERO CN(Cc1cc(Br)cs1)C(=O)[C@@H]1COC[C@H]1[NH3+] ZINC000090382482 185293605 /nfs/dbraw/zinc/29/36/05/185293605.db2.gz MRRYTKFTQVQKAK-NXEZZACHSA-N 1 0 319.224 1.443 10 0 DDAERO CN(Cc1ccccc1Br)C(=O)[C@H]1COC[C@@H]1[NH3+] ZINC000090381683 185293715 /nfs/dbraw/zinc/29/37/15/185293715.db2.gz LNHJBMJWVOJYFD-JQWIXIFHSA-N 1 0 313.195 1.381 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cc(Br)ccc1C ZINC000090433742 185296299 /nfs/dbraw/zinc/29/62/99/185296299.db2.gz ANQGYWQOBQPZKH-ZYHUDNBSSA-N 1 0 313.195 1.930 10 0 DDAERO O=C(CSCC1C[NH2+]C1)Nc1ccc(Br)cn1 ZINC000090712546 185311052 /nfs/dbraw/zinc/31/10/52/185311052.db2.gz DBMCLEZECKVIQF-UHFFFAOYSA-N 1 0 316.224 1.735 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cnccc1NC ZINC000092672979 185333214 /nfs/dbraw/zinc/33/32/14/185333214.db2.gz OQSQUUGEGLZUFV-LBPRGKRZSA-N 1 0 312.439 1.228 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1sc(N)nc1C ZINC000092634013 185330253 /nfs/dbraw/zinc/33/02/53/185330253.db2.gz SNFBTYBMHZPESK-JTQLQIEISA-N 1 0 318.468 1.139 10 0 DDAERO CCN([C@@H]1CCCC[C@@H]1C[NH3+])S(=O)(=O)c1cn(CC)cn1 ZINC000092910644 185348428 /nfs/dbraw/zinc/34/84/28/185348428.db2.gz XRRQADFWRMJTDO-CHWSQXEVSA-N 1 0 314.455 1.431 10 0 DDAERO C[NH2+][C@H](C[C@H]1CCS(=O)(=O)C1)c1ccc(OC)c(F)c1 ZINC000097130048 185413476 /nfs/dbraw/zinc/41/34/76/185413476.db2.gz GVKPPNKKNXKRLF-ZWNOBZJWSA-N 1 0 301.383 1.920 10 0 DDAERO CCc1nn(CC)c(C[C@@]2(CO)CC[NH2+]C2)c1Br ZINC000097154434 185416553 /nfs/dbraw/zinc/41/65/53/185416553.db2.gz PSKYSRLSDRLDLM-ZDUSSCGKSA-N 1 0 316.243 1.742 10 0 DDAERO CCCN(C(CC)(CC)C[NH3+])S(=O)(=O)c1cn(C)cn1 ZINC000052095895 190682682 /nfs/dbraw/zinc/68/26/82/190682682.db2.gz FBSFVTKJZZAOHU-UHFFFAOYSA-N 1 0 302.444 1.338 10 0 DDAERO CO[C@H](C[NH3+])C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000227352700 201798259 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C[NH2+][C@@H](C)CNC(=O)C[C@@H](NC(C)=O)c1c(F)cccc1F ZINC000261781323 290800051 /nfs/dbraw/zinc/80/00/51/290800051.db2.gz QBZMMMNIUVUCGQ-TVQRCGJNSA-N 1 0 313.348 1.256 10 0 DDAERO C[C@@H]1CC[C@@H](C[NH3+])CN1S(=O)(=O)N(C)C1CCCCC1 ZINC000070181385 190868961 /nfs/dbraw/zinc/86/89/61/190868961.db2.gz CDIDQSFRIROZDF-OLZOCXBDSA-N 1 0 303.472 1.555 10 0 DDAERO CN1CC[C@@H](Oc2ccc(Br)cc2CC[NH3+])C1=O ZINC000071184698 190938406 /nfs/dbraw/zinc/93/84/06/190938406.db2.gz DUZXJTLCFJKWLC-GFCCVEGCSA-N 1 0 313.195 1.560 10 0 DDAERO CCN(c1ccc(S(=O)(=O)NC(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000071314355 190956634 /nfs/dbraw/zinc/95/66/34/190956634.db2.gz NUEFIVGONOJTBQ-AWEZNQCLSA-N 1 0 311.451 1.562 10 0 DDAERO CCCCN(C)C(=O)C1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000236703221 201974011 /nfs/dbraw/zinc/97/40/11/201974011.db2.gz NSGUELHKAPWXPL-HUUCEWRRSA-N 1 0 309.454 1.611 10 0 DDAERO [NH3+][C@H]1CCC2(C[C@H]1[S@](=O)c1cc(F)ccc1F)OCCO2 ZINC000084037567 192396398 /nfs/dbraw/zinc/39/63/98/192396398.db2.gz KFVKYLUUNVBUAS-SMSPXONGSA-N 1 0 317.357 1.695 10 0 DDAERO C[NH2+][C@H](C)CCCC[S@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084056132 192397613 /nfs/dbraw/zinc/39/76/13/192397613.db2.gz FUYMAHPONMBAAX-CWTRNNRKSA-N 1 0 317.476 1.976 10 0 DDAERO [NH3+]C[C@H]1c2cc(Cl)ccc2CN1[C@@H]1CCS(=O)(=O)C1 ZINC000071683191 191006747 /nfs/dbraw/zinc/00/67/47/191006747.db2.gz ZRQCIUDZFFSFIE-YPMHNXCESA-N 1 0 300.811 1.343 10 0 DDAERO COCCNC(=O)Cc1csc(-c2ccccc2C[NH3+])n1 ZINC000071685166 191008312 /nfs/dbraw/zinc/00/83/12/191008312.db2.gz WTOMYHZUBBCUIB-UHFFFAOYSA-N 1 0 305.403 1.574 10 0 DDAERO Cn1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)c(-c2cccs2)n1 ZINC000155870393 186119786 /nfs/dbraw/zinc/11/97/86/186119786.db2.gz UTECSNFXJAUOKO-NSHDSACASA-N 1 0 304.419 1.925 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1cccc(N(C)C)n1 ZINC000164365533 186157303 /nfs/dbraw/zinc/15/73/03/186157303.db2.gz LJRYSDOXOLFSNE-HNNXBMFYSA-N 1 0 319.453 1.773 10 0 DDAERO CCOC(=O)[C@H](c1ccccc1)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000171929507 198009791 /nfs/dbraw/zinc/00/97/91/198009791.db2.gz HMYHRJXORINREB-WBVHZDCISA-N 1 0 320.433 1.943 10 0 DDAERO Cc1cc(C)c(OCC(=O)N2CCO[C@H](C[NH+](C)C)C2)c(C)c1 ZINC000172307036 198077080 /nfs/dbraw/zinc/07/70/80/198077080.db2.gz NPGQIEAYCFRGED-MRXNPFEDSA-N 1 0 320.433 1.780 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)Cc2ccc3c(c2)CCC3)CCO1 ZINC000172307079 198077296 /nfs/dbraw/zinc/07/72/96/198077296.db2.gz CTDOPFYRCVNADN-KRWDZBQOSA-N 1 0 302.418 1.507 10 0 DDAERO Cc1cc(C(F)(F)F)nc(CNC[C@@]2(O)CCC[NH2+]C2)n1 ZINC000072417920 191155885 /nfs/dbraw/zinc/15/58/85/191155885.db2.gz SIQRUFILUWGBHJ-GFCCVEGCSA-N 1 0 304.316 1.008 10 0 DDAERO O=C(NCC1CC[NH+](Cc2ccsc2)CC1)C(=O)NC1CC1 ZINC000043940878 352377051 /nfs/dbraw/zinc/37/70/51/352377051.db2.gz ZNIKKVYEJIDEIJ-UHFFFAOYSA-N 1 0 321.446 1.355 10 0 DDAERO Cc1ccccc1CNC(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172805726 198151826 /nfs/dbraw/zinc/15/18/26/198151826.db2.gz FUJZOQZKXRAOIN-QGZVFWFLSA-N 1 0 301.434 1.781 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2nc3ccccc3n2C)C1 ZINC000057796143 352828771 /nfs/dbraw/zinc/82/87/71/352828771.db2.gz SOYXVYHBGGPBKH-CYBMUJFWSA-N 1 0 315.421 1.857 10 0 DDAERO CCn1cc(C[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2=O)cn1 ZINC000173853452 198261099 /nfs/dbraw/zinc/26/10/99/198261099.db2.gz BQNCLATVOAXCGO-AWEZNQCLSA-N 1 0 316.409 1.230 10 0 DDAERO C[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)Oc1ccc(F)cc1 ZINC000173917272 198268260 /nfs/dbraw/zinc/26/82/60/198268260.db2.gz HLECAGMZYSUCHO-OCCSQVGLSA-N 1 0 309.385 1.939 10 0 DDAERO C[C@@H](O)CN1CCN(C(=O)c2cc3c(s2)CCC3)C[C@H]1C ZINC000174319959 198319416 /nfs/dbraw/zinc/31/94/16/198319416.db2.gz ZZIAPZJKXWEEKX-VXGBXAGGSA-N 1 0 308.447 1.764 10 0 DDAERO Cc1ccc(S(=O)(=O)n2ccc3nc(C[NH3+])cnc32)cc1 ZINC000088347104 353754104 /nfs/dbraw/zinc/75/41/04/353754104.db2.gz PZVBQKLLTWAQCT-UHFFFAOYSA-N 1 0 302.359 1.435 10 0 DDAERO FC(F)(F)c1nsc(N2CCN([C@H]3CC[NH2+]C3)CC2)n1 ZINC000261841103 282938045 /nfs/dbraw/zinc/93/80/45/282938045.db2.gz VPZOVXJGKCXTBO-QMMMGPOBSA-N 1 0 307.345 1.041 10 0 DDAERO O=C1CCCN1C[C@H](O)CN1CC[NH+](CC2CCCCC2)CC1 ZINC000111685395 353968384 /nfs/dbraw/zinc/96/83/84/353968384.db2.gz QHKZXJKBOTVUPW-QGZVFWFLSA-N 1 0 323.481 1.168 10 0 DDAERO Ic1cnc(NC[C@@H]2CC[NH2+]C2)nc1 ZINC000126278099 354053358 /nfs/dbraw/zinc/05/33/58/354053358.db2.gz FPRROJVDNXQNPS-SSDOTTSWSA-N 1 0 304.135 1.103 10 0 DDAERO CCC[C@@H]([NH3+])C(=O)Nc1ccc(NS(=O)(=O)CC)c(C)c1 ZINC000236783453 202005657 /nfs/dbraw/zinc/00/56/57/202005657.db2.gz DSVBGEJYBLXBAA-GFCCVEGCSA-N 1 0 313.423 1.823 10 0 DDAERO Cc1nn(-c2ccccc2)cc1CCCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000152037275 354188659 /nfs/dbraw/zinc/18/86/59/354188659.db2.gz NADIZACJJPMDEK-OAHLLOKOSA-N 1 0 312.417 1.839 10 0 DDAERO CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262275782 354392030 /nfs/dbraw/zinc/39/20/30/354392030.db2.gz JJPVXWKQSSHUQJ-ZNMIVQPWSA-N 1 0 323.481 1.905 10 0 DDAERO C[N@H+](CC1CC1)C[C@@H]1CN(C(=O)Cc2ccccc2F)CCO1 ZINC000328635684 354555105 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Cc1ccc(F)cc1S(=O)(=O)NC[C@@H]1CCCC[C@H]1[NH3+] ZINC000085972116 192542336 /nfs/dbraw/zinc/54/23/36/192542336.db2.gz IKWRTYMBYZKHLB-WCQYABFASA-N 1 0 300.399 1.930 10 0 DDAERO CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC([NH3+])CC1 ZINC000237022894 202125335 /nfs/dbraw/zinc/12/53/35/202125335.db2.gz ODMZTQKQSHIHOE-CJNGLKHVSA-N 1 0 317.433 1.781 10 0 DDAERO CN(CC(C)(C)C[NH3+])c1ncncc1I ZINC000086638632 192586376 /nfs/dbraw/zinc/58/63/76/192586376.db2.gz UCQYQJQYAILUDY-UHFFFAOYSA-N 1 0 320.178 1.502 10 0 DDAERO COc1ccccc1C(=O)N[C@H](C(=O)NC[C@H](C)C[NH3+])C(C)C ZINC000237098488 202153177 /nfs/dbraw/zinc/15/31/77/202153177.db2.gz BIGJCWUYRJLSBF-DOMZBBRYSA-N 1 0 321.421 1.161 10 0 DDAERO CC[NH2+]CCCN(C)S(=O)(=O)N(CC)c1ccccc1C ZINC000088915282 192656325 /nfs/dbraw/zinc/65/63/25/192656325.db2.gz IDRORYNJXPTCIW-UHFFFAOYSA-N 1 0 313.467 1.998 10 0 DDAERO CC(C)[NH2+]Cc1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000088906183 192651496 /nfs/dbraw/zinc/65/14/96/192651496.db2.gz YGZIQXMVECCAMN-UHFFFAOYSA-N 1 0 312.435 1.347 10 0 DDAERO CC[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N1[C@H](C)CCC[C@@H]1C ZINC000088926114 192660450 /nfs/dbraw/zinc/66/04/50/192660450.db2.gz GDEDXTUKISWLCV-ZNMIVQPWSA-N 1 0 317.499 1.958 10 0 DDAERO CCOc1ccc(S(=O)(=O)N2CCC[C@H]2C)cc1C[NH2+]C ZINC000088972529 192676223 /nfs/dbraw/zinc/67/62/23/192676223.db2.gz WMUIFLNLBOQGRI-GFCCVEGCSA-N 1 0 312.435 1.978 10 0 DDAERO CO[C@]1(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)CCOC1 ZINC000276717422 213064763 /nfs/dbraw/zinc/06/47/63/213064763.db2.gz PNFAVWDECDCBJO-WMLDXEAASA-N 1 0 306.406 1.429 10 0 DDAERO COC(=O)c1cncc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000180586223 199180762 /nfs/dbraw/zinc/18/07/62/199180762.db2.gz DUIQZESHUFXUHJ-AWEZNQCLSA-N 1 0 318.377 1.570 10 0 DDAERO CCN([C@H](C)COC)S(=O)(=O)c1cc(C[NH2+]C)sc1C ZINC000089008353 192695428 /nfs/dbraw/zinc/69/54/28/192695428.db2.gz SHZCJTLPJLLUER-SNVBAGLBSA-N 1 0 320.480 1.821 10 0 DDAERO CC(C)n1cc(S(=O)(=O)NC[C@@H]2CCCCO2)cc1C[NH3+] ZINC000089009323 192695972 /nfs/dbraw/zinc/69/59/72/192695972.db2.gz XHIBIJQWLMHFQY-ZDUSSCGKSA-N 1 0 315.439 1.375 10 0 DDAERO CN(CC(C)(C)C)S(=O)(=O)c1n[nH]cc1C[NH2+]C1CC1 ZINC000089013378 192698808 /nfs/dbraw/zinc/69/88/08/192698808.db2.gz OBJWRAMAZMFXDP-UHFFFAOYSA-N 1 0 300.428 1.328 10 0 DDAERO CCC[NH2+]Cc1c[nH]nc1S(=O)(=O)NC1(C)CCCCC1 ZINC000089013321 192699024 /nfs/dbraw/zinc/69/90/24/192699024.db2.gz GKHVUFUCFUZRCE-UHFFFAOYSA-N 1 0 314.455 1.910 10 0 DDAERO CC(C)[NH2+]C[C@@H](C)S(=O)(=O)N1CCOc2ccccc2C1 ZINC000089034747 192711358 /nfs/dbraw/zinc/71/13/58/192711358.db2.gz MDYONHDFUPABCQ-CYBMUJFWSA-N 1 0 312.435 1.597 10 0 DDAERO [NH3+]C[C@H]1CCCC[C@H]1C(=O)Nc1cnc(Br)cn1 ZINC000089401518 192781981 /nfs/dbraw/zinc/78/19/81/192781981.db2.gz OELVTMWNQJQJEE-RKDXNWHRSA-N 1 0 313.199 1.943 10 0 DDAERO CN1CCO[C@@H](C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000187341591 200098452 /nfs/dbraw/zinc/09/84/52/200098452.db2.gz IJCVLFPHBIUQBB-HNNXBMFYSA-N 1 0 306.406 1.752 10 0 DDAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(-c2ccccc2)[nH]c1=O ZINC000237853753 202370778 /nfs/dbraw/zinc/37/07/78/202370778.db2.gz PMAGTHFNMBWTLY-AWEZNQCLSA-N 1 0 311.385 1.995 10 0 DDAERO O=C(NCC[C@@H]1CCC[NH2+]C1)c1ccc(-c2ncon2)cc1 ZINC000238147212 202444623 /nfs/dbraw/zinc/44/46/23/202444623.db2.gz ZFZVIICLRTYIDZ-LBPRGKRZSA-N 1 0 300.362 1.856 10 0 DDAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)c2ccccc2)CC1 ZINC000194377253 201213854 /nfs/dbraw/zinc/21/38/54/201213854.db2.gz VKTVVWACOHMSBK-AWEZNQCLSA-N 1 0 318.417 1.421 10 0 DDAERO CO[C@@H](CNC(=O)c1csc(CC[NH3+])n1)c1ccc(F)cc1 ZINC000194821812 201296286 /nfs/dbraw/zinc/29/62/86/201296286.db2.gz DSLQEXWPJFDNKH-ZDUSSCGKSA-N 1 0 323.393 1.901 10 0 DDAERO CC(C)CCO[C@@H]1CCN(C(=O)c2csc(CC[NH3+])n2)C1 ZINC000194806656 201292242 /nfs/dbraw/zinc/29/22/42/201292242.db2.gz DOMTUUXTFRJURN-GFCCVEGCSA-N 1 0 311.451 1.922 10 0 DDAERO CCCCNC(=O)CN1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195291335 201373199 /nfs/dbraw/zinc/37/31/99/201373199.db2.gz OWCCAFQGZMEITK-KRWDZBQOSA-N 1 0 318.465 1.752 10 0 DDAERO C[C@H]([NH3+])Cc1ccccc1N1CCSC[C@@H]1S(C)(=O)=O ZINC000090924601 192949283 /nfs/dbraw/zinc/94/92/83/192949283.db2.gz KSPKZCPULUOEFH-FZMZJTMJSA-N 1 0 314.476 1.500 10 0 DDAERO CCC[NH2+]Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1CCC ZINC000091337231 193043765 /nfs/dbraw/zinc/04/37/65/193043765.db2.gz AXNYLNNJYUAETF-HNNXBMFYSA-N 1 0 313.467 1.869 10 0 DDAERO COc1ccc(CN2CCC[C@@H]([NH+](C)C)C2)cc1C(N)=S ZINC000091393410 193050190 /nfs/dbraw/zinc/05/01/90/193050190.db2.gz OURWVFRCRGOLFK-CYBMUJFWSA-N 1 0 307.463 1.855 10 0 DDAERO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2c(N)cccc2F)C1 ZINC000091392796 193050613 /nfs/dbraw/zinc/05/06/13/193050613.db2.gz WPHMIPRSMIBVTC-JTQLQIEISA-N 1 0 301.387 1.123 10 0 DDAERO CCc1nn(C)c(CN2CC3(CC2=O)CC[NH2+]CC3)c1Cl ZINC000091409507 193051755 /nfs/dbraw/zinc/05/17/55/193051755.db2.gz BADGTMHVWCKMRI-UHFFFAOYSA-N 1 0 310.829 1.738 10 0 DDAERO C[NH2+][C@H](Cc1c(Br)c(C)nn1C)C(C)(C)N(C)C ZINC000091528823 193069765 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COC(=O)[C@@H]1CCCCN1C(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000262117714 283990861 /nfs/dbraw/zinc/99/08/61/283990861.db2.gz KIOZZAYJHOQWBS-VHDGCEQUSA-N 1 0 304.390 1.877 10 0 DDAERO C[NH2+]C[C@H](C)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000092133145 193166939 /nfs/dbraw/zinc/16/69/39/193166939.db2.gz CQIJLDMVEPRHSD-QMMMGPOBSA-N 1 0 306.334 1.477 10 0 DDAERO CS(=O)(=O)Nc1cc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)ccc1F ZINC000092203804 193173116 /nfs/dbraw/zinc/17/31/16/193173116.db2.gz QPDCRHYKMLLOEH-BDAKNGLRSA-N 1 0 313.354 1.039 10 0 DDAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000092202611 193173175 /nfs/dbraw/zinc/17/31/75/193173175.db2.gz BZTOMNQCWPRLDI-KOLCDFICSA-N 1 0 303.753 1.763 10 0 DDAERO CCN(CC(C)(C)O)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000092984505 193191172 /nfs/dbraw/zinc/19/11/72/193191172.db2.gz JFELBNMZAQUZJD-UHFFFAOYSA-N 1 0 306.453 1.031 10 0 DDAERO COc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261667113 203089595 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CS(=O)(=O)[C@H]1CCC[C@@]12CNC(=[NH2+])N2c1ccc(F)cc1 ZINC000093379438 193241010 /nfs/dbraw/zinc/24/10/10/193241010.db2.gz KPHVHRYXPVFUFD-GXTWGEPZSA-N 1 0 311.382 1.296 10 0 DDAERO CCS(=O)(=O)[C@H]1CSCCN1c1cccc(F)c1C[NH3+] ZINC000093395558 193243341 /nfs/dbraw/zinc/24/33/41/193243341.db2.gz NWKINKVEXWPKBN-ZDUSSCGKSA-N 1 0 318.439 1.598 10 0 DDAERO CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1CC(C)(C)S(C)(=O)=O ZINC000093525771 193263684 /nfs/dbraw/zinc/26/36/84/193263684.db2.gz PQOOYVRXBDGBCO-ZFWWWQNUSA-N 1 0 302.484 1.662 10 0 DDAERO CC(C)[C@@H]1C[NH2+][C@H](C2CC2)CN1CC(C)(C)S(C)(=O)=O ZINC000093525855 193263859 /nfs/dbraw/zinc/26/38/59/193263859.db2.gz FPSGHHRCLKGHAF-KBPBESRZSA-N 1 0 302.484 1.518 10 0 DDAERO CC[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCN(CC)CC(F)(F)F ZINC000093589872 193271682 /nfs/dbraw/zinc/27/16/82/193271682.db2.gz VVPMWJYHTDASCG-AAEUAGOBSA-N 1 0 309.376 1.894 10 0 DDAERO COC(=O)[C@@]1([NH3+])CCC[C@H]1CCn1cc(Br)cn1 ZINC000093598412 193273175 /nfs/dbraw/zinc/27/31/75/193273175.db2.gz MXDODCOCJMVAIF-JOYOIKCWSA-N 1 0 316.199 1.706 10 0 DDAERO C[C@H]([NH3+])c1ccc(OC[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000093695917 193290961 /nfs/dbraw/zinc/29/09/61/193290961.db2.gz AHEXXTCVYBPHAT-STQMWFEESA-N 1 0 312.435 1.757 10 0 DDAERO C[NH2+][C@@H](Cc1ccncc1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700221 193293983 /nfs/dbraw/zinc/29/39/83/193293983.db2.gz NAIPTZWMPLADRW-CABCVRRESA-N 1 0 311.451 1.274 10 0 DDAERO C[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(C)n1 ZINC000093700287 193294329 /nfs/dbraw/zinc/29/43/29/193294329.db2.gz IREZQOXXAIWZGU-UKRRQHHQSA-N 1 0 311.451 1.712 10 0 DDAERO Cc1ccc(C[C@@H]([NH3+])C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000093700194 193294338 /nfs/dbraw/zinc/29/43/38/193294338.db2.gz VTTJUGPJVZRONC-JKSUJKDBSA-N 1 0 310.463 1.927 10 0 DDAERO CCC[NH2+]C[C@]1(C[C@H]2CCCN(S(C)(=O)=O)C2)CCOC1 ZINC000093701593 193295155 /nfs/dbraw/zinc/29/51/55/193295155.db2.gz JOCAJZPMQYSMRM-HUUCEWRRSA-N 1 0 318.483 1.454 10 0 DDAERO CC[NH2+][C@@]1(C(=O)[O-])CCC[C@H]([N@H+](CCOC)CC(C)C)C1 ZINC000093751560 193299908 /nfs/dbraw/zinc/29/99/08/193299908.db2.gz TXCZPYDQXQQZBB-HOCLYGCPSA-N 1 0 300.443 1.966 10 0 DDAERO CC[NH2+][C@]1(C(N)=O)CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000093759212 193300895 /nfs/dbraw/zinc/30/08/95/193300895.db2.gz IIKLUXAQOZDIQB-BXKDBHETSA-N 1 0 304.316 1.851 10 0 DDAERO C[NH2+][C@H]1CCN(S(=O)(=O)CCOC(C)C)c2ccccc21 ZINC000093664645 193286679 /nfs/dbraw/zinc/28/66/79/193286679.db2.gz AAKKTSSWTCHNGD-AWEZNQCLSA-N 1 0 312.435 1.912 10 0 DDAERO C[NH2+][C@@]1(CO)CC[C@H](Sc2ccc(S(C)(=O)=O)cc2)C1 ZINC000093860120 193320320 /nfs/dbraw/zinc/32/03/20/193320320.db2.gz SJZQPPSXEUGUKR-JSGCOSHPSA-N 1 0 315.460 1.685 10 0 DDAERO CCc1nn(CC)c(C[C@H]([NH3+])[C@H]2CN(CC)CCO2)c1Cl ZINC000093914019 193328435 /nfs/dbraw/zinc/32/84/35/193328435.db2.gz LWPKPQGSHBZXIC-SMDDNHRTSA-N 1 0 314.861 1.709 10 0 DDAERO CN(CCS(C)(=O)=O)[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000094297854 193356679 /nfs/dbraw/zinc/35/66/79/193356679.db2.gz JVJYUJPTQSTUHJ-INIZCTEOSA-N 1 0 306.431 1.816 10 0 DDAERO CCOc1ccc([C@@H](CN(C)CCS(C)(=O)=O)[NH2+]C)cc1 ZINC000094298497 193358012 /nfs/dbraw/zinc/35/80/12/193358012.db2.gz HCLWLFBQXAOFDB-OAHLLOKOSA-N 1 0 314.451 1.322 10 0 DDAERO C[NH2+][C@H](CCN(C)CCS(C)(=O)=O)c1ccccc1Cl ZINC000094300495 193358367 /nfs/dbraw/zinc/35/83/67/193358367.db2.gz NNHMCQNPTZPYJL-CQSZACIVSA-N 1 0 318.870 1.967 10 0 DDAERO CC(C)C[NH2+]Cc1nc(CN(C)CCS(C)(=O)=O)cs1 ZINC000094300842 193358850 /nfs/dbraw/zinc/35/88/50/193358850.db2.gz LGCPUVKORXBADI-UHFFFAOYSA-N 1 0 319.496 1.365 10 0 DDAERO C[C@H]1CN(c2nc(C(F)(F)F)ccc2C(N)=O)CC[N@@H+]1C ZINC000094335325 193360415 /nfs/dbraw/zinc/36/04/15/193360415.db2.gz IERBCAAHKGTDAH-QMMMGPOBSA-N 1 0 302.300 1.340 10 0 DDAERO CC(C)N1CCO[C@@H](COc2c(F)cc(C[NH3+])cc2F)C1 ZINC000094346064 193363509 /nfs/dbraw/zinc/36/35/09/193363509.db2.gz VRSMRTYSUJKSFY-GFCCVEGCSA-N 1 0 300.349 1.912 10 0 DDAERO C[C@H]([NH3+])Cc1cc(F)c(O[C@H]2CCS(=O)(=O)C2)c(F)c1 ZINC000094350271 193363603 /nfs/dbraw/zinc/36/36/03/193363603.db2.gz KBDKMJAZZVDLDN-WPRPVWTQSA-N 1 0 305.346 1.420 10 0 DDAERO O=C([C@H]1CCCN1c1ncc(Cl)cc1F)N1CC[NH2+]CC1 ZINC000094052497 193341961 /nfs/dbraw/zinc/34/19/61/193341961.db2.gz HBEFELZJJGQIEL-GFCCVEGCSA-N 1 0 312.776 1.275 10 0 DDAERO CCC([NH3+])(CC)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000094245213 193354405 /nfs/dbraw/zinc/35/44/05/193354405.db2.gz RKNXFDBGQGEFJK-NSHDSACASA-N 1 0 312.435 1.785 10 0 DDAERO C[NH+](C)CCN1CCN(c2c(F)c(F)nc(F)c2F)CC1 ZINC000094628385 193385635 /nfs/dbraw/zinc/38/56/35/193385635.db2.gz MTADEFHDIFVWTP-UHFFFAOYSA-N 1 0 306.307 1.322 10 0 DDAERO CC1CCC(CO)([NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094635852 193386241 /nfs/dbraw/zinc/38/62/41/193386241.db2.gz JRPWOSGGJKSLJF-PIOWNMBXSA-N 1 0 303.468 1.873 10 0 DDAERO Cc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H](C[NH3+])CC(C)C ZINC000094697934 193391350 /nfs/dbraw/zinc/39/13/50/193391350.db2.gz IDUFXAPCNKKTNA-LLVKDONJSA-N 1 0 313.423 1.202 10 0 DDAERO COCCC[N@H+](CCOC)C[C@H]1[C@@H](O)C(C)(C)OC1(C)C ZINC000094430554 193369033 /nfs/dbraw/zinc/36/90/33/193369033.db2.gz NIPNCZYCSUQXFW-UONOGXRCSA-N 1 0 303.443 1.536 10 0 DDAERO [NH3+]Cc1sccc1S(=O)(=O)N1CCN2CCCC[C@@H]2C1 ZINC000094445245 193371899 /nfs/dbraw/zinc/37/18/99/193371899.db2.gz KFMXBHZSSRAXMU-LLVKDONJSA-N 1 0 315.464 1.066 10 0 DDAERO Cc1cc(C(=O)N(C)[C@@H]2C[NH2+]C[C@H]2O)sc1Br ZINC000094537021 193378403 /nfs/dbraw/zinc/37/84/03/193378403.db2.gz UCAHOTRIMGHSAH-HTQZYQBOSA-N 1 0 319.224 1.224 10 0 DDAERO COc1cc(Cl)c(NC(=O)[C@@H]2CC[C@@H](C[NH3+])O2)cc1OC ZINC000094566484 193380511 /nfs/dbraw/zinc/38/05/11/193380511.db2.gz UCYCGYGQFIXYSW-KWQFWETISA-N 1 0 314.769 1.802 10 0 DDAERO C[N@@H+]1CC[C@@H](CNc2nc3ccc(Br)cn3n2)C1 ZINC000094603178 193384182 /nfs/dbraw/zinc/38/41/82/193384182.db2.gz NCFINEHAPKMTGR-VIFPVBQESA-N 1 0 310.199 1.855 10 0 DDAERO CC[NH2+][C@H](C[C@@H](C)COC)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000097309359 193706792 /nfs/dbraw/zinc/70/67/92/193706792.db2.gz KHBOYEVFBSXHTN-QLFBSQMISA-N 1 0 320.499 1.699 10 0 DDAERO CN(C)CC[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000020056997 182184768 /nfs/dbraw/zinc/18/47/68/182184768.db2.gz WJAZFIZCZXOOGR-UHFFFAOYSA-N 1 0 300.200 1.539 10 0 DDAERO CN(C)CC[NH2+]Cc1ccccc1OCC(=O)NC(C)(C)C ZINC000020872468 182250534 /nfs/dbraw/zinc/25/05/34/182250534.db2.gz ASZWZROIQYKDRU-UHFFFAOYSA-N 1 0 307.438 1.631 10 0 DDAERO [NH3+]Cc1ccccc1S(=O)(=O)NCCc1ccccc1F ZINC000021810060 182291797 /nfs/dbraw/zinc/29/17/97/182291797.db2.gz KTVHVKAWCOSFLU-UHFFFAOYSA-N 1 0 308.378 1.805 10 0 DDAERO C[C@H]1CCC[C@H](C)[NH+]1CCCCNC(=O)CN1CCCC1=O ZINC000027749655 182490478 /nfs/dbraw/zinc/49/04/78/182490478.db2.gz OYNXPTKYXWJHTO-GJZGRUSLSA-N 1 0 309.454 1.768 10 0 DDAERO COc1cc(C[NH3+])cc(Br)c1O[C@@H]1CCOC1=O ZINC000037711771 182919203 /nfs/dbraw/zinc/91/92/03/182919203.db2.gz ZQSNXWXBJFNBRV-SECBINFHSA-N 1 0 316.151 1.611 10 0 DDAERO CC[C@@H](C)NC(=O)CC[NH2+]C[C@@H](O)COC1CCCCC1 ZINC000038014365 182964123 /nfs/dbraw/zinc/96/41/23/182964123.db2.gz OPRPBKQVGDJMGX-ZIAGYGMSSA-N 1 0 300.443 1.591 10 0 DDAERO Cc1cc(C)n(-c2ncnc(N(C)C3CC[NH+](C)CC3)c2N)n1 ZINC000040800799 183135091 /nfs/dbraw/zinc/13/50/91/183135091.db2.gz NTAVGADQDUOQGC-UHFFFAOYSA-N 1 0 315.425 1.392 10 0 DDAERO CC(C)C[C@@H](CNS(=O)(=O)c1cccnc1Cl)[NH+](C)C ZINC000040805771 183135936 /nfs/dbraw/zinc/13/59/36/183135936.db2.gz UPQCZQWNTFRISR-NSHDSACASA-N 1 0 319.858 1.990 10 0 DDAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000040855727 183143181 /nfs/dbraw/zinc/14/31/81/183143181.db2.gz UGFUXBRXRNKUMP-BXUZGUMPSA-N 1 0 312.435 1.641 10 0 DDAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1c[nH]c2ncccc12 ZINC000040749856 183129057 /nfs/dbraw/zinc/12/90/57/183129057.db2.gz FXWWFFSLIZFOAA-FGWVZKOKSA-N 1 0 306.391 1.206 10 0 DDAERO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc(N)cs2)CC1 ZINC000041068513 183162544 /nfs/dbraw/zinc/16/25/44/183162544.db2.gz ZBEUCPSNZLKXKF-UHFFFAOYSA-N 1 0 317.480 1.825 10 0 DDAERO COC(=O)COC[C@@H]([NH3+])c1cc(Br)ccc1OC ZINC000041072064 183163137 /nfs/dbraw/zinc/16/31/37/183163137.db2.gz QFWPZUQLNKZWSH-SNVBAGLBSA-N 1 0 318.167 1.647 10 0 DDAERO [NH3+]CCN(C1CC1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000041160858 183179519 /nfs/dbraw/zinc/17/95/19/183179519.db2.gz JZSSQPBFDDVOOL-UHFFFAOYSA-N 1 0 308.325 1.817 10 0 DDAERO C[C@H]([NH3+])c1cccc(NC(=O)NC2CCS(=O)(=O)CC2)c1 ZINC000041716660 183218419 /nfs/dbraw/zinc/21/84/19/183218419.db2.gz WRCOSVACSOWFBU-JTQLQIEISA-N 1 0 311.407 1.405 10 0 DDAERO C[NH+](C)CCCCNC(=O)[C@H](Cc1ccccc1)C(N)=S ZINC000041680877 183216236 /nfs/dbraw/zinc/21/62/36/183216236.db2.gz WXVAASMYBAHCNB-CQSZACIVSA-N 1 0 307.463 1.589 10 0 DDAERO CCN(Cc1cccs1)C1(C[NH3+])CCS(=O)(=O)CC1 ZINC000042332534 183254857 /nfs/dbraw/zinc/25/48/57/183254857.db2.gz TUPFCUPKMPQWLY-UHFFFAOYSA-N 1 0 302.465 1.476 10 0 DDAERO COCCCN(CCOC)[C@H](C[NH3+])c1cc(F)ccc1F ZINC000042420770 183267573 /nfs/dbraw/zinc/26/75/73/183267573.db2.gz TWEQYCZVXMNPAK-OAHLLOKOSA-N 1 0 302.365 1.950 10 0 DDAERO COCCC[N@H+](CCOC)Cc1ccc(C(N)=S)cc1F ZINC000042422379 183268091 /nfs/dbraw/zinc/26/80/91/183268091.db2.gz ONFKZCYWHQORPF-UHFFFAOYSA-N 1 0 314.426 1.945 10 0 DDAERO CCCO[C@@H]1CCCN(S(=O)(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC000042425708 183268383 /nfs/dbraw/zinc/26/83/83/183268383.db2.gz DWCRFTKWSWRRFB-UONOGXRCSA-N 1 0 304.456 1.349 10 0 DDAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(C(N)=S)cc1F ZINC000042428943 183269514 /nfs/dbraw/zinc/26/95/14/183269514.db2.gz SMEVEDHUKIFCJH-SKDRFNHKSA-N 1 0 309.410 1.546 10 0 DDAERO CN(Cc1ccc(Br)cc1)S(=O)(=O)CCC[NH3+] ZINC000042440117 183270209 /nfs/dbraw/zinc/27/02/09/183270209.db2.gz JGMFTFDZZJHZJG-UHFFFAOYSA-N 1 0 321.240 1.560 10 0 DDAERO CC[NH2+]C[C@@H](O)CN(C)Cc1csc(Br)c1 ZINC000042361976 183258329 /nfs/dbraw/zinc/25/83/29/183258329.db2.gz MIQQKPZWEDCFMD-SNVBAGLBSA-N 1 0 307.257 1.913 10 0 DDAERO COc1ccc(C(=O)N[C@@H]2CC[N@H+](C)C2)cc1Br ZINC000042374809 183260549 /nfs/dbraw/zinc/26/05/49/183260549.db2.gz AMUTUXAHRWLWOF-SNVBAGLBSA-N 1 0 313.195 1.892 10 0 DDAERO CCN([C@H](C)COC)S(=O)(=O)Cc1cccc(C[NH3+])c1 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/nfs/dbraw/zinc/15/72/18/218157218.db2.gz UTCWGHHMHFTDSS-GVDBMIGSSA-N 1 0 318.417 1.801 10 0 DDAERO COc1ccc(C(=O)N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)c(F)c1 ZINC000284723837 218150148 /nfs/dbraw/zinc/15/01/48/218150148.db2.gz SOMWAPUYDMKANU-AAEUAGOBSA-N 1 0 310.369 1.625 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)C(C)C)CC1=O ZINC000105315818 194097330 /nfs/dbraw/zinc/09/73/30/194097330.db2.gz ICMGHIFFHCJUSL-RRFJBIMHSA-N 1 0 309.454 1.480 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(CC(=O)N(C)Cc2ccccc2)C[C@@H]1C ZINC000105821390 194136579 /nfs/dbraw/zinc/13/65/79/194136579.db2.gz LMSOTTNLIWNUII-JKSUJKDBSA-N 1 0 319.449 1.032 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cnn(-c3ccccc3)c2)C[C@@H]1C ZINC000105823251 194137172 /nfs/dbraw/zinc/13/71/72/194137172.db2.gz FZMKUOUXIYGUTE-JKSUJKDBSA-N 1 0 314.433 1.759 10 0 DDAERO CC(C)CNC(=O)C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105802686 194131662 /nfs/dbraw/zinc/13/16/62/194131662.db2.gz PDGNPHSOEGIKBK-CQSZACIVSA-N 1 0 305.426 1.149 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2cccc(C(N)=O)c2)C[C@@H]1CC ZINC000105838294 194143768 /nfs/dbraw/zinc/14/37/68/194143768.db2.gz RFMWBXFPCVZQOK-KRWDZBQOSA-N 1 0 319.449 1.718 10 0 DDAERO CCCc1nc(CN2CC[N@H+](CCOCC)[C@H](CC)C2)no1 ZINC000105838535 194144293 /nfs/dbraw/zinc/14/42/93/194144293.db2.gz ALPATKPVSZEHMW-CQSZACIVSA-N 1 0 310.442 1.955 10 0 DDAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)N(C)Cc1ccccc1 ZINC000105870773 194152054 /nfs/dbraw/zinc/15/20/54/194152054.db2.gz YHDNTFZKDCNSDT-ZFWWWQNUSA-N 1 0 313.405 1.230 10 0 DDAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)NCc1ccc(F)cc1 ZINC000105871445 194152295 /nfs/dbraw/zinc/15/22/95/194152295.db2.gz BGTWBYJALCZRGD-RISCZKNCSA-N 1 0 317.368 1.027 10 0 DDAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)NCc2ccccc2F)c1 ZINC000105881830 194155092 /nfs/dbraw/zinc/15/50/92/194155092.db2.gz HCGUUNKKYUZGLQ-CYBMUJFWSA-N 1 0 304.369 1.625 10 0 DDAERO CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cccc(O)c2)ncn1 ZINC000105904877 194167431 /nfs/dbraw/zinc/16/74/31/194167431.db2.gz IKMISVQPSPGPTC-AWEZNQCLSA-N 1 0 313.405 1.983 10 0 DDAERO CCOC(=O)CC[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000105915904 194167691 /nfs/dbraw/zinc/16/76/91/194167691.db2.gz MNKJUIVENCSDNJ-UHFFFAOYSA-N 1 0 308.426 1.233 10 0 DDAERO C[NH+](C)C[C@H]1CN(Cc2cnn(-c3ccccc3)c2)CCO1 ZINC000105926063 194170686 /nfs/dbraw/zinc/17/06/86/194170686.db2.gz RMZKCELYLJZPMU-KRWDZBQOSA-N 1 0 300.406 1.635 10 0 DDAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)Nc1ccc(F)c(F)c1 ZINC000105932587 194172879 /nfs/dbraw/zinc/17/28/79/194172879.db2.gz WTMISXDVWHIUPJ-PWSUYJOCSA-N 1 0 313.348 1.212 10 0 DDAERO CCC1CCC(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000106538579 194227199 /nfs/dbraw/zinc/22/71/99/194227199.db2.gz RAENTTLZTYZIKN-QQFBHYJXSA-N 1 0 310.486 1.890 10 0 DDAERO CC[C@@H]1CO[C@@H](C)CN1S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000048916432 183696125 /nfs/dbraw/zinc/69/61/25/183696125.db2.gz OSQCGQHCHLWUKH-MELADBBJSA-N 1 0 304.456 1.348 10 0 DDAERO CCOc1ccc(NS(=O)(=O)CCCC[NH3+])cc1OCC ZINC000049061301 183707533 /nfs/dbraw/zinc/70/75/33/183707533.db2.gz CXUZUBSNGYWJBZ-UHFFFAOYSA-N 1 0 316.423 1.965 10 0 DDAERO C[NH2+]Cc1cc(Cl)ccc1OCC(=O)N[C@H](C)COC ZINC000049290303 183723863 /nfs/dbraw/zinc/72/38/63/183723863.db2.gz SRWXODVALLLJSB-SNVBAGLBSA-N 1 0 300.786 1.589 10 0 DDAERO Cc1cccc(N)c1S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000049554592 183741135 /nfs/dbraw/zinc/74/11/35/183741135.db2.gz GJPHZOYUTMEMGT-ZDUSSCGKSA-N 1 0 313.467 1.832 10 0 DDAERO C[NH2+][C@@](C)(CCCCSc1ncnc2[nH]cnc21)C(N)=O ZINC000051037392 183812037 /nfs/dbraw/zinc/81/20/37/183812037.db2.gz GSBURAVDJHXOGC-ZDUSSCGKSA-N 1 0 308.411 1.079 10 0 DDAERO O=S(=O)(N[C@@H]1CCCOC1)c1ccc(C[NH2+]C2CC2)cc1 ZINC000109550685 194273081 /nfs/dbraw/zinc/27/30/81/194273081.db2.gz NIVVRGXUKMVUTQ-CQSZACIVSA-N 1 0 310.419 1.396 10 0 DDAERO CCC[NH2+][C@@H]1CCCC[C@H]1c1nc(CS(C)(=O)=O)no1 ZINC000109512647 194270064 /nfs/dbraw/zinc/27/00/64/194270064.db2.gz DCABARLAXCAYDC-GHMZBOCLSA-N 1 0 301.412 1.640 10 0 DDAERO O=S(=O)(c1cc(F)ccc1F)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051359179 183824843 /nfs/dbraw/zinc/82/48/43/183824843.db2.gz TZOHTBBTYASIFT-STQMWFEESA-N 1 0 316.373 1.870 10 0 DDAERO CC[NH+](CC)[C@@H]1CCN(c2nnc(C)c(C)c2C(N)=S)C1 ZINC000110278417 194319361 /nfs/dbraw/zinc/31/93/61/194319361.db2.gz JORLUICPJFRTBC-GFCCVEGCSA-N 1 0 307.467 1.648 10 0 DDAERO CCOCCC[NH2+]CCSc1nnnn1-c1ccccc1 ZINC000053611010 183908002 /nfs/dbraw/zinc/90/80/02/183908002.db2.gz PENUSCTXMIDGSZ-UHFFFAOYSA-N 1 0 307.423 1.771 10 0 DDAERO CN(C)S(=O)(=O)c1ccc(NCC[C@H]2CCC[NH2+]C2)cc1 ZINC000110792958 194359016 /nfs/dbraw/zinc/35/90/16/194359016.db2.gz IFQOQXYIFJMGME-CYBMUJFWSA-N 1 0 311.451 1.739 10 0 DDAERO CCCN(c1ccc(S(=O)(=O)NC)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110947697 194373286 /nfs/dbraw/zinc/37/32/86/194373286.db2.gz JTRTWDVMOWSGKQ-CQSZACIVSA-N 1 0 311.451 1.563 10 0 DDAERO CC[NH2+][C@@H]1CCC2(C[C@H]1N(CC)CCOCC)OCCO2 ZINC000111119040 194392326 /nfs/dbraw/zinc/39/23/26/194392326.db2.gz JIPMPJKSBXIVDM-HUUCEWRRSA-N 1 0 300.443 1.619 10 0 DDAERO CN(CCC[NH+](C)C)S(=O)(=O)c1c(N)cccc1Cl ZINC000111131148 194392734 /nfs/dbraw/zinc/39/27/34/194392734.db2.gz MBJYYXFZLSKTCZ-UHFFFAOYSA-N 1 0 305.831 1.494 10 0 DDAERO CN(CC[NH+](C)C)CC(=O)Nc1nc2ccc(N)cc2s1 ZINC000111129792 194393073 /nfs/dbraw/zinc/39/30/73/194393073.db2.gz KXMULTYXSGGRIY-UHFFFAOYSA-N 1 0 307.423 1.310 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000060510931 184151063 /nfs/dbraw/zinc/15/10/63/184151063.db2.gz BRNCURYIEBIGAO-CQSZACIVSA-N 1 0 300.399 1.729 10 0 DDAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC000061232579 184166574 /nfs/dbraw/zinc/16/65/74/184166574.db2.gz RDWNRDCCFMFKGX-LLVKDONJSA-N 1 0 313.423 1.087 10 0 DDAERO CC[NH2+][C@H](C)CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000061270696 184167166 /nfs/dbraw/zinc/16/71/66/184167166.db2.gz HTLKPFMIWNEYNG-SECBINFHSA-N 1 0 308.773 1.642 10 0 DDAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000061318563 184168517 /nfs/dbraw/zinc/16/85/17/184168517.db2.gz RDANDDMMRQDENH-UHFFFAOYSA-N 1 0 313.423 1.182 10 0 DDAERO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C(N)=S)c1ccccc1 ZINC000061616750 184179099 /nfs/dbraw/zinc/17/90/99/184179099.db2.gz CCGBIQALIGFFFS-GXTWGEPZSA-N 1 0 307.463 1.903 10 0 DDAERO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(N)c1 ZINC000061642473 184180406 /nfs/dbraw/zinc/18/04/06/184180406.db2.gz FGOMJTMVSCMWOM-SNVBAGLBSA-N 1 0 301.387 1.123 10 0 DDAERO CNS(=O)(=O)c1ccc(NCCC[NH+]2CCCC2)c(N)c1 ZINC000062070039 184204308 /nfs/dbraw/zinc/20/43/08/184204308.db2.gz COFLRTLIWUXIQH-UHFFFAOYSA-N 1 0 312.439 1.075 10 0 DDAERO COc1cc(CNS(=O)(=O)c2ccc(C[NH3+])cc2)ccn1 ZINC000062072814 184204385 /nfs/dbraw/zinc/20/43/85/184204385.db2.gz WJLMKKBCVQTJKV-UHFFFAOYSA-N 1 0 307.375 1.027 10 0 DDAERO C[C@H](Cc1ccccc1)NS(=O)(=O)c1cc[nH+]c(NN)c1 ZINC000062190486 184217655 /nfs/dbraw/zinc/21/76/55/184217655.db2.gz NXTNJHVBQFZWTQ-LLVKDONJSA-N 1 0 306.391 1.277 10 0 DDAERO CNS(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCCCC1 ZINC000062364113 184233233 /nfs/dbraw/zinc/23/32/33/184233233.db2.gz SNQXRZRSAPGTRG-GFCCVEGCSA-N 1 0 317.480 1.719 10 0 DDAERO CNC(=O)[C@@H](C)Oc1ccc(C[C@H](C)[NH3+])cc1Br ZINC000062704429 184248764 /nfs/dbraw/zinc/24/87/64/184248764.db2.gz BYUGNCVDDZDAIP-DTWKUNHWSA-N 1 0 315.211 1.852 10 0 DDAERO COCC[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CNC(=O)O1 ZINC000062731067 184251183 /nfs/dbraw/zinc/25/11/83/184251183.db2.gz DSKCISOKKANPPV-LBPRGKRZSA-N 1 0 314.769 1.563 10 0 DDAERO C[C@H]1CN[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C[NH2+]1 ZINC000062813885 184254302 /nfs/dbraw/zinc/25/43/02/184254302.db2.gz ILZWOXXISWWIPZ-GZMMTYOYSA-N 1 0 303.284 1.474 10 0 DDAERO CCCCN(C(=O)C1(C)CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000062840541 184255642 /nfs/dbraw/zinc/25/56/42/184255642.db2.gz XUSDJLZXZRGNOF-CYBMUJFWSA-N 1 0 316.467 1.192 10 0 DDAERO COC(=O)C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]C1)c1cccs1 ZINC000062855544 184256405 /nfs/dbraw/zinc/25/64/05/184256405.db2.gz CQZSSWQPINLNMJ-NHYWBVRUSA-N 1 0 310.419 1.858 10 0 DDAERO CCCc1cc(=O)[nH]c(SCC[C@@H]([NH2+]C(C)C)C(N)=O)n1 ZINC000062599216 184244971 /nfs/dbraw/zinc/24/49/71/184244971.db2.gz RAEXUPOCGROQGS-LLVKDONJSA-N 1 0 312.439 1.057 10 0 DDAERO CS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000063212228 184278470 /nfs/dbraw/zinc/27/84/70/184278470.db2.gz MDYVUHZWWUTRMK-ZIAGYGMSSA-N 1 0 310.419 1.480 10 0 DDAERO c1cc(CC[NH2+]CCN2CC[C@H](N3CCOCC3)C2)cs1 ZINC000062974917 184263377 /nfs/dbraw/zinc/26/33/77/184263377.db2.gz CLGATCBDPPYWPI-INIZCTEOSA-N 1 0 309.479 1.287 10 0 DDAERO CC(C)Oc1nc(Cl)nc(N2CC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000062983368 184264499 /nfs/dbraw/zinc/26/44/99/184264499.db2.gz LREXQOLUKAMKDE-LLVKDONJSA-N 1 0 311.817 1.987 10 0 DDAERO CC(=O)Nc1ccc(C)c(S(=O)(=O)N[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000063175541 184276046 /nfs/dbraw/zinc/27/60/46/184276046.db2.gz GXBYAAFYFXIIPW-QWHCGFSZSA-N 1 0 311.407 1.112 10 0 DDAERO CC(=O)Nc1ccc(C)c(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000063175543 184276087 /nfs/dbraw/zinc/27/60/87/184276087.db2.gz GXBYAAFYFXIIPW-STQMWFEESA-N 1 0 311.407 1.112 10 0 DDAERO Cc1ccc(S(=O)(=O)NCC[C@@H](C)[NH3+])c(Br)c1 ZINC000063170964 184276313 /nfs/dbraw/zinc/27/63/13/184276313.db2.gz IQRYXWQFVHLSEX-SECBINFHSA-N 1 0 321.240 1.773 10 0 DDAERO CCOC(=O)[C@@](C)([NH3+])C[C@@H](C)Sc1n[nH]c(=O)n1C(C)C ZINC000068642600 184495488 /nfs/dbraw/zinc/49/54/88/184495488.db2.gz BAKQBUNRNGVTOV-RNCFNFMXSA-N 1 0 316.427 1.304 10 0 DDAERO COc1ccncc1NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000119609213 195001986 /nfs/dbraw/zinc/00/19/86/195001986.db2.gz ZOLAPFFEQPKQBT-GFCCVEGCSA-N 1 0 322.409 1.121 10 0 DDAERO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000157748126 197212529 /nfs/dbraw/zinc/21/25/29/197212529.db2.gz MUUDNZMOZDHUQG-MNOVXSKESA-N 1 0 310.419 1.408 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2cc(F)c(F)c(F)c2)CCO1 ZINC000120678617 195214383 /nfs/dbraw/zinc/21/43/83/195214383.db2.gz VJYXHAKEBDPQCS-JTQLQIEISA-N 1 0 317.311 1.898 10 0 DDAERO C[NH+](C)C[C@@]12COC[C@@H]1CN(Cc1ccc3c(c1)OCO3)C2 ZINC000248099945 257109647 /nfs/dbraw/zinc/10/96/47/257109647.db2.gz HJRPGUFPOHDVGS-WMLDXEAASA-N 1 0 304.390 1.425 10 0 DDAERO CN(C)C(=O)CO[C@@H]1CCOC2(C[NH+](CC3CCCCC3)C2)C1 ZINC000247948190 257114140 /nfs/dbraw/zinc/11/41/40/257114140.db2.gz BLLKCMHGMMDVAY-MRXNPFEDSA-N 1 0 324.465 1.905 10 0 DDAERO c1cnc(NC[C@@H]2CO[C@H]3C[N@H+](Cc4ccncc4)C[C@@H]23)nc1 ZINC000247829111 257117457 /nfs/dbraw/zinc/11/74/57/257117457.db2.gz KLAAUSFEDXISOW-PMPSAXMXSA-N 1 0 311.389 1.431 10 0 DDAERO Fc1cnc(N2CCO[C@@H]3CN(Cc4ccoc4)C[C@@H]32)nc1 ZINC000247648342 257117874 /nfs/dbraw/zinc/11/78/74/257117874.db2.gz LHIPARXLCYJQLQ-UONOGXRCSA-N 1 0 304.325 1.298 10 0 DDAERO O=C(NC1CC1)[C@]12CCO[C@H]1CC[N@H+](Cc1ccccc1)C2 ZINC000247743977 257118630 /nfs/dbraw/zinc/11/86/30/257118630.db2.gz PJRZSEXRPPSHRR-WMZOPIPTSA-N 1 0 300.402 1.946 10 0 DDAERO Fc1cnc(N2CC[C@@]3(C2)C[C@H]([NH+]2CCCC2)CCO3)nc1 ZINC000503717021 257210202 /nfs/dbraw/zinc/21/02/02/257210202.db2.gz LAEWENJFQIKYEV-ZBFHGGJFSA-N 1 0 306.385 1.839 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(F)cc1 ZINC000121814775 195352985 /nfs/dbraw/zinc/35/29/85/195352985.db2.gz BAGGMQSZWKGOST-CQSZACIVSA-N 1 0 309.385 1.857 10 0 DDAERO O=C([C@@H]1CCC[NH2+]C1)N1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000121899684 195371224 /nfs/dbraw/zinc/37/12/24/195371224.db2.gz ZVNLNVYUJLLQQP-MCIONIFRSA-N 1 0 324.446 1.399 10 0 DDAERO NS(=O)(=O)c1ccccc1N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063190815 134813084 /nfs/dbraw/zinc/81/30/84/134813084.db2.gz CYCAVVYVNMCCKW-STQMWFEESA-N 1 0 309.435 1.445 10 0 DDAERO O=C([C@@H]1CCCO[C@H]1c1ccccc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195218793 304340063 /nfs/dbraw/zinc/34/00/63/304340063.db2.gz IJIROUUWVLGNPR-TWMKSMIVSA-N 1 0 300.402 1.832 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(C3CC3)C2)C12CCOCC2 ZINC000249002905 286292759 /nfs/dbraw/zinc/29/27/59/286292759.db2.gz NHYOBTHHYYATLQ-NWANDNLSSA-N 1 0 308.422 1.314 10 0 DDAERO CCO[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])C2CCOCC2)C1(CC)CC ZINC000261665177 286371281 /nfs/dbraw/zinc/37/12/81/286371281.db2.gz FYVHDDYMBIFFRM-ZNMIVQPWSA-N 1 0 312.454 1.840 10 0 DDAERO CC[C@H](C)C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114415236 407570458 /nfs/dbraw/zinc/57/04/58/407570458.db2.gz IEAWTXBPUFTFHO-AWEZNQCLSA-N 1 0 304.438 1.838 10 0 DDAERO Cc1ccc(CNC(=O)c2nn(C)c3c2C[C@H]([NH+](C)C)CC3)o1 ZINC000014741915 406876125 /nfs/dbraw/zinc/87/61/25/406876125.db2.gz ZBDMZDSMLRTBAO-GFCCVEGCSA-N 1 0 316.405 1.670 10 0 DDAERO CCCC(=O)OC[C@@H](O)C[N@H+](CCOC)Cc1ccc(C)o1 ZINC000036097591 406976078 /nfs/dbraw/zinc/97/60/78/406976078.db2.gz NHUZTUKGFNCMJP-AWEZNQCLSA-N 1 0 313.394 1.741 10 0 DDAERO COc1ccc(C)cc1NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000043279221 407017343 /nfs/dbraw/zinc/01/73/43/407017343.db2.gz JHCVYKJBJZFZOG-AWEZNQCLSA-N 1 0 321.421 1.972 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCOC[C@@H]1CCCO1 ZINC000077729487 407003746 /nfs/dbraw/zinc/00/37/46/407003746.db2.gz YVPDGVNITAHEAF-CABCVRRESA-N 1 0 300.443 1.665 10 0 DDAERO [NH3+][C@H]1CN(c2ncccc2C(=O)N2CCCC2)C[C@@H]1C1CC1 ZINC000095385210 407212271 /nfs/dbraw/zinc/21/22/71/407212271.db2.gz ZNZUUORGTOVXOS-CABCVRRESA-N 1 0 300.406 1.491 10 0 DDAERO COC(=O)c1cc2n(n1)CC[N@H+](C[C@@H]1CCOC(C)(C)C1)C2 ZINC000065455442 407243028 /nfs/dbraw/zinc/24/30/28/407243028.db2.gz UZITYKJRXKHKGH-GFCCVEGCSA-N 1 0 307.394 1.691 10 0 DDAERO CCC[N@H+](CCO)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000068046002 407294474 /nfs/dbraw/zinc/29/44/74/407294474.db2.gz XTFSIUKJUSBACU-OAHLLOKOSA-N 1 0 301.814 1.922 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCc1nc(C2CC2)no1 ZINC000122665593 407308078 /nfs/dbraw/zinc/30/80/78/407308078.db2.gz HKZYEXUBNLDTBY-GXTWGEPZSA-N 1 0 318.421 1.965 10 0 DDAERO CCc1nn(C)c(CC)c1CN1CC[NH+](C[C@H](O)CC)CC1 ZINC000123627450 407335208 /nfs/dbraw/zinc/33/52/08/407335208.db2.gz KAMSQCBGQHWUNP-CQSZACIVSA-N 1 0 308.470 1.433 10 0 DDAERO COC(=O)N[C@@H](C(=O)NCc1cccc(C[NH+](C)C)c1)C(C)C ZINC000108256404 407382873 /nfs/dbraw/zinc/38/28/73/407382873.db2.gz QQAHZCZCVLNNKT-OAHLLOKOSA-N 1 0 321.421 1.745 10 0 DDAERO C[NH+]1CCN(CCNC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000109119426 407394792 /nfs/dbraw/zinc/39/47/92/407394792.db2.gz MUYBFCHRQXFKKQ-ZIAGYGMSSA-N 1 0 323.387 1.432 10 0 DDAERO O=C1CCCN1C[C@H](O)C[NH+]1CCC(OC2CCCC2)CC1 ZINC000111686113 407413666 /nfs/dbraw/zinc/41/36/66/407413666.db2.gz DTEBFKIVMHKANX-CQSZACIVSA-N 1 0 310.438 1.393 10 0 DDAERO NC(=O)C1([NH2+]C[C@@H](O)COCc2ccccc2)CCCCC1 ZINC000127163380 407429820 /nfs/dbraw/zinc/42/98/20/407429820.db2.gz OJOIZLWHEYXFDD-OAHLLOKOSA-N 1 0 306.406 1.342 10 0 DDAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)Nc1ccc(Cl)cc1 ZINC000112548496 407432002 /nfs/dbraw/zinc/43/20/02/407432002.db2.gz LGLMPLPBYBKMLU-BXUZGUMPSA-N 1 0 311.813 1.587 10 0 DDAERO Cc1nc(NC(=O)[C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)sc1C ZINC000112548542 407432219 /nfs/dbraw/zinc/43/22/19/407432219.db2.gz MOQNJCASNZSRHT-CMPLNLGQSA-N 1 0 312.439 1.007 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc2c(c1)OCO2 ZINC000113232615 407481394 /nfs/dbraw/zinc/48/13/94/407481394.db2.gz XIEKXIFDEVPOCE-GXTWGEPZSA-N 1 0 302.374 1.653 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2ccnc2)nc1 ZINC000113232987 407482468 /nfs/dbraw/zinc/48/24/68/407482468.db2.gz RZSPIKPURFFACL-DZGCQCFKSA-N 1 0 311.389 1.576 10 0 DDAERO C[C@@H]([NH3+])CCNC(=O)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC000178701665 407553267 /nfs/dbraw/zinc/55/32/67/407553267.db2.gz XHXFSFZQKWGNLR-MRVPVSSYSA-N 1 0 323.290 1.828 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(-c3ncon3)cc2)C1 ZINC000171084348 407590261 /nfs/dbraw/zinc/59/02/61/407590261.db2.gz QPORASXUZWHRLK-CYBMUJFWSA-N 1 0 301.350 1.904 10 0 DDAERO Cc1ccc(C)n1-c1c(C(=O)N2CC[C@@H]([NH+](C)C)C2)cnn1C ZINC000170855697 407530107 /nfs/dbraw/zinc/53/01/07/407530107.db2.gz QTHRGJHAYGAOFD-CQSZACIVSA-N 1 0 315.421 1.604 10 0 DDAERO CC(=O)c1cccc(O[C@H](C)C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170864370 407537307 /nfs/dbraw/zinc/53/73/07/407537307.db2.gz JAXXKAVZTNHVHV-UKRRQHHQSA-N 1 0 304.390 1.819 10 0 DDAERO Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170873607 407542574 /nfs/dbraw/zinc/54/25/74/407542574.db2.gz AEPLWMGHGKDYDU-GFCCVEGCSA-N 1 0 302.827 1.973 10 0 DDAERO COc1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCOCC2)cc1OC ZINC000128524380 407543526 /nfs/dbraw/zinc/54/35/26/407543526.db2.gz PEPPXYPVDWBXDN-HIFRSBDPSA-N 1 0 324.421 1.048 10 0 DDAERO COc1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1O ZINC000128546817 407547438 /nfs/dbraw/zinc/54/74/38/407547438.db2.gz GBUAGTVWEYDAPF-CQSZACIVSA-N 1 0 302.378 1.905 10 0 DDAERO CCCNC(=O)[C@H]1CN(C[C@H]2CCC[NH2+]C2)c2ccccc2O1 ZINC000261764436 407606831 /nfs/dbraw/zinc/60/68/31/407606831.db2.gz DFUSULCJCUVKJE-WMLDXEAASA-N 1 0 317.433 1.780 10 0 DDAERO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCOC2=O)C12CCOCC2 ZINC000186314852 407635525 /nfs/dbraw/zinc/63/55/25/407635525.db2.gz UTOPAXIOIZKROH-UONOGXRCSA-N 1 0 312.410 1.393 10 0 DDAERO O=C([C@H]1CC12CC[NH2+]CC2)N1CCO[C@@H](c2nccs2)C1 ZINC000261893865 407660656 /nfs/dbraw/zinc/66/06/56/407660656.db2.gz CPZOVLURHPSUPT-VXGBXAGGSA-N 1 0 307.419 1.433 10 0 DDAERO Cc1cc(NC(=O)C2([NH3+])CCOCC2)ccc1C(=O)N(C)C ZINC000261864053 407647729 /nfs/dbraw/zinc/64/77/29/407647729.db2.gz NLIMMVAANWMZAX-UHFFFAOYSA-N 1 0 305.378 1.143 10 0 DDAERO C[C@@H]([NH3+])C1CCN(c2ccc(S(C)(=O)=O)cc2F)CC1 ZINC000261875008 407651373 /nfs/dbraw/zinc/65/13/73/407651373.db2.gz ZNAKZRLWZOWLDY-SNVBAGLBSA-N 1 0 300.399 1.793 10 0 DDAERO CC(C)[C@@H]1OCC[C@H]1CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000261881359 407653142 /nfs/dbraw/zinc/65/31/42/407653142.db2.gz FHZFXFDFXHUWIJ-GJZGRUSLSA-N 1 0 320.437 1.139 10 0 DDAERO Cc1cnn(C[C@@H]2CN(CCNC(=O)OC(C)(C)C)CCO2)c1 ZINC000130264481 407671205 /nfs/dbraw/zinc/67/12/05/407671205.db2.gz WOSYYYZNFYZVIJ-AWEZNQCLSA-N 1 0 324.425 1.417 10 0 DDAERO CCc1noc([C@@H](C)N2CCN(C[C@]3(C)CC[NH2+]C3)CC2)n1 ZINC000261936329 407678160 /nfs/dbraw/zinc/67/81/60/407678160.db2.gz DGCTZHZDIGMBDS-CZUORRHYSA-N 1 0 307.442 1.310 10 0 DDAERO Cc1ccc(NC(=O)C2(C[NH3+])CCOCC2)cc1C(=O)N(C)C ZINC000261990176 407704016 /nfs/dbraw/zinc/70/40/16/407704016.db2.gz SORSTBXUOZGMGY-UHFFFAOYSA-N 1 0 319.405 1.391 10 0 DDAERO CC1CCC([NH+]2CCN(C[C@@H](O)CN3CCCC3=O)CC2)CC1 ZINC000115740784 407708184 /nfs/dbraw/zinc/70/81/84/407708184.db2.gz QLMQVROIFWOPCH-OFLPRAFFSA-N 1 0 323.481 1.166 10 0 DDAERO CN(CC(C)(C)C[NH3+])c1ccc2nnc(C(F)(F)F)n2n1 ZINC000234263865 407708354 /nfs/dbraw/zinc/70/83/54/407708354.db2.gz CDRCTWQWFTUROQ-UHFFFAOYSA-N 1 0 302.304 1.564 10 0 DDAERO Cc1ccc2nc(CN[C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)cn2c1 ZINC000262029037 407716393 /nfs/dbraw/zinc/71/63/93/407716393.db2.gz XHQQSONWLNGIEG-BBWFWOEESA-N 1 0 314.433 1.889 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCCC(=O)NC1CC1 ZINC000179111801 407724929 /nfs/dbraw/zinc/72/49/29/407724929.db2.gz DRZZPRFWONGTBR-OAHLLOKOSA-N 1 0 324.469 1.465 10 0 DDAERO O=C(NCc1ccc(CO)c(F)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000171673329 407738248 /nfs/dbraw/zinc/73/82/48/407738248.db2.gz YSWGUWBHTASJQW-HNNXBMFYSA-N 1 0 321.396 1.698 10 0 DDAERO C[NH+](C)C[C@@H]1CN(c2ccc(Br)cn2)CCO1 ZINC000131583578 407742482 /nfs/dbraw/zinc/74/24/82/407742482.db2.gz TYWIQWVHPGLCGO-LLVKDONJSA-N 1 0 300.200 1.611 10 0 DDAERO Cn1cc([C@H]2CC[N@H+](Cc3nc(N)c4ccccc4n3)C2)cn1 ZINC000116316255 407743401 /nfs/dbraw/zinc/74/34/01/407743401.db2.gz GCYYKJNHTVTPRO-LBPRGKRZSA-N 1 0 308.389 1.935 10 0 DDAERO O=S(=O)(c1c(F)cccc1F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171770568 407763534 /nfs/dbraw/zinc/76/35/34/407763534.db2.gz KGBFRNQTTONGKJ-SNVBAGLBSA-N 1 0 302.346 1.434 10 0 DDAERO COC[C@H]([NH3+])C(=O)NC1(c2cccc(Br)c2)CC1 ZINC000262253514 407775491 /nfs/dbraw/zinc/77/54/91/407775491.db2.gz IULSOYQBDTYFKT-NSHDSACASA-N 1 0 313.195 1.528 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)CSCc2cccnc2)CCO1 ZINC000116788954 407777408 /nfs/dbraw/zinc/77/74/08/407777408.db2.gz BNDZKYSFGHIKRH-CQSZACIVSA-N 1 0 309.435 1.104 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)c2cnc(C(C)(C)C)s2)CCO1 ZINC000116784800 407777479 /nfs/dbraw/zinc/77/74/79/407777479.db2.gz HHPQUGFTMAJUDA-NSHDSACASA-N 1 0 311.451 1.843 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1C ZINC000262333242 407803482 /nfs/dbraw/zinc/80/34/82/407803482.db2.gz DWGQMPXJLIVHGX-CQSZACIVSA-N 1 0 319.405 1.580 10 0 DDAERO CC(=O)c1ccccc1NC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262426361 407832209 /nfs/dbraw/zinc/83/22/09/407832209.db2.gz FKXSMCRLVPHDQI-AEGPPILISA-N 1 0 301.390 1.497 10 0 DDAERO CCOc1cc(C)nc(N2CC[NH+](C[C@@H](C)COC)CC2)n1 ZINC000187231182 407834238 /nfs/dbraw/zinc/83/42/38/407834238.db2.gz RBKLJOSHUYARJW-CYBMUJFWSA-N 1 0 308.426 1.588 10 0 DDAERO CC[C@@H]1CN(C(=O)NCc2ccccc2)CC[N@@H+]1CCOC ZINC000117399318 407836534 /nfs/dbraw/zinc/83/65/34/407836534.db2.gz BCMXWSRMBCZNCC-MRXNPFEDSA-N 1 0 305.422 1.939 10 0 DDAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCCC2CCN(CC(F)(F)F)CC2)C1 ZINC000237988231 407863282 /nfs/dbraw/zinc/86/32/82/407863282.db2.gz SWVWZIQXRWHUKF-CHWSQXEVSA-N 1 0 321.387 1.894 10 0 DDAERO Cc1cccc(NC(=O)NCC(=O)NCC[C@H]2CC[NH2+]C2)c1 ZINC000262583977 407874160 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CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCC(=O)N(CC)CC ZINC000153976185 407946416 /nfs/dbraw/zinc/94/64/16/407946416.db2.gz NPMGMUQIMHKEGE-LSDHHAIUSA-N 1 0 309.454 1.720 10 0 DDAERO O=C(Nc1cnn(CC2CC2)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000174450144 407947769 /nfs/dbraw/zinc/94/77/69/407947769.db2.gz SCLORZCNYKNJEZ-OAHLLOKOSA-N 1 0 303.410 1.995 10 0 DDAERO CCOC(=O)N[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+]1CC)C(C)C ZINC000245436629 407980389 /nfs/dbraw/zinc/98/03/89/407980389.db2.gz VNMBWOWWLTVLSS-KGLIPLIRSA-N 1 0 313.442 1.700 10 0 DDAERO COCCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000262752665 407918273 /nfs/dbraw/zinc/91/82/73/407918273.db2.gz NYNBAWAGVHKDIM-UKRRQHHQSA-N 1 0 312.435 1.281 10 0 DDAERO CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000263091901 408023434 /nfs/dbraw/zinc/02/34/34/408023434.db2.gz YNNGVRJYVQZYSL-JKIFEVAISA-N 1 0 309.454 1.801 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)CCC(C)C ZINC000175040254 408037136 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ZINC000249187602 408701469 /nfs/dbraw/zinc/70/14/69/408701469.db2.gz OKGANCCUJKIHTQ-KBPBESRZSA-N 1 0 316.405 1.414 10 0 DDAERO CCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000194150089 408767789 /nfs/dbraw/zinc/76/77/89/408767789.db2.gz JWYFKSHNZJDNGY-CYBMUJFWSA-N 1 0 319.405 1.624 10 0 DDAERO CCC[C@@H](C(=O)N1CCC(N(C)c2cccnn2)CC1)[NH+](C)C ZINC000163423052 408777370 /nfs/dbraw/zinc/77/73/70/408777370.db2.gz PLTUHVGRICHYTE-HNNXBMFYSA-N 1 0 319.453 1.634 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(C(=O)N(C)C)cc2)C1 ZINC000194323069 408777443 /nfs/dbraw/zinc/77/74/43/408777443.db2.gz JVJYHHNRYJSCCK-OAHLLOKOSA-N 1 0 318.421 1.994 10 0 DDAERO CCN(CC1CC1)S(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000188220356 163044936 /nfs/dbraw/zinc/04/49/36/163044936.db2.gz ITOYZGYQTPUVOQ-CQSZACIVSA-N 1 0 305.488 1.529 10 0 DDAERO Cn1cc(CN2CCC[N@H+](CCOCC(F)F)CC2)cn1 ZINC000189198255 163088093 /nfs/dbraw/zinc/08/80/93/163088093.db2.gz LNSCLYDNKLUPIS-UHFFFAOYSA-N 1 0 302.369 1.210 10 0 DDAERO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000189316035 163095325 /nfs/dbraw/zinc/09/53/25/163095325.db2.gz YSXWKJBFYNQUBM-MFKMUULPSA-N 1 0 322.386 1.212 10 0 DDAERO CCOC[C@@H](NC(=O)NC[C@@H](C)N1CCOCC1)C(C)C ZINC000190059130 163128259 /nfs/dbraw/zinc/12/82/59/163128259.db2.gz HWDRHRJBVYUYGF-ZIAGYGMSSA-N 1 0 301.431 1.067 10 0 DDAERO CC(C)C[NH+]1CCC(NC(=O)N2CC(NC(=O)C3CC3)C2)CC1 ZINC000190119868 163129019 /nfs/dbraw/zinc/12/90/19/163129019.db2.gz PEOUXUYGJFMECR-UHFFFAOYSA-N 1 0 322.453 1.027 10 0 DDAERO Cc1csc(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1 ZINC000190105151 163129639 /nfs/dbraw/zinc/12/96/39/163129639.db2.gz QYVYASMBJUSMRI-WDEREUQCSA-N 1 0 308.407 1.085 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2n[nH]c3c2CCCCC3)CCO1 ZINC000191717712 163199755 /nfs/dbraw/zinc/19/97/55/163199755.db2.gz GCVRLQOAQCYCKQ-GFCCVEGCSA-N 1 0 306.410 1.081 10 0 DDAERO CCNC(=O)NC1(C(=O)N2CCN3CCCC[C@@H]3C2)CCCC1 ZINC000195049621 163303942 /nfs/dbraw/zinc/30/39/42/163303942.db2.gz 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163431117 /nfs/dbraw/zinc/43/11/17/163431117.db2.gz CCFVZUPOBVLWFW-OLZOCXBDSA-N 1 0 304.394 1.394 10 0 DDAERO Cc1cc(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)n(Cc2ccccn2)n1 ZINC000261815880 163708549 /nfs/dbraw/zinc/70/85/49/163708549.db2.gz PCRMQYDGKMRNLT-KGLIPLIRSA-N 1 0 315.377 1.080 10 0 DDAERO CC(C)Cn1nccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261938422 163732242 /nfs/dbraw/zinc/73/22/42/163732242.db2.gz MNNLIXKLLVJNNL-KGLIPLIRSA-N 1 0 316.409 1.214 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cccc(OC2CCCCC2)c1 ZINC000262062131 163759619 /nfs/dbraw/zinc/75/96/19/163759619.db2.gz AXYMYGDWPGOVLU-PBHICJAKSA-N 1 0 318.417 1.708 10 0 DDAERO C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000262157017 163778031 /nfs/dbraw/zinc/77/80/31/163778031.db2.gz XTNZOVZVHAYVAI-WBMJQRKESA-N 1 0 304.394 1.394 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1ccccc1OCc1cscn1 ZINC000262355576 163812875 /nfs/dbraw/zinc/81/28/75/163812875.db2.gz JPWPXVYTFANLOH-LLVKDONJSA-N 1 0 307.375 1.634 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N(C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000262393563 163822448 /nfs/dbraw/zinc/82/24/48/163822448.db2.gz OLCORKQMRJOHNR-CABCVRRESA-N 1 0 320.368 1.081 10 0 DDAERO CC(=O)N[C@H](c1nc([C@H]2C[NH2+]CCN2C)no1)C1CCCC1 ZINC000263199749 163929420 /nfs/dbraw/zinc/92/94/20/163929420.db2.gz IVOKLTGLSPISGV-OLZOCXBDSA-N 1 0 307.398 1.013 10 0 DDAERO CC(C)[C@@H]([NH3+])[C@H](O)c1ncc(I)s1 ZINC000306542173 409776170 /nfs/dbraw/zinc/77/61/70/409776170.db2.gz YSPNRKIIOGOPEJ-RQJHMYQMSA-N 1 0 312.176 1.764 10 0 DDAERO C[C@@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1ccc(Cl)s1 ZINC000311907624 409796033 /nfs/dbraw/zinc/79/60/33/409796033.db2.gz GVQMMCYDFUJRLL-BDAKNGLRSA-N 1 0 324.855 1.370 10 0 DDAERO C[C@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000313304804 409803611 /nfs/dbraw/zinc/80/36/11/409803611.db2.gz HPHXRTXOIOLEBB-GWCFXTLKSA-N 1 0 318.826 1.309 10 0 DDAERO COC[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cccc(C(=O)N(C)C)c1 ZINC000344347722 411095111 /nfs/dbraw/zinc/09/51/11/411095111.db2.gz GMSYZTOZKKAZEX-JKSUJKDBSA-N 1 0 306.406 1.624 10 0 DDAERO C[C@H](NC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)C(=O)N1CCCCC1 ZINC000129119024 196021002 /nfs/dbraw/zinc/02/10/02/196021002.db2.gz FXBOZEWPUMOPJP-IHRRRGAJSA-N 1 0 322.453 1.312 10 0 DDAERO Cc1cnc2c(cccc2S(=O)(=O)NC[C@@H]2CC[NH2+]C2)c1 ZINC000131895124 196208322 /nfs/dbraw/zinc/20/83/22/196208322.db2.gz JSPNFDAVFCYFCD-GFCCVEGCSA-N 1 0 305.403 1.431 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(C(=O)/C=C/c2ccnc(Cl)c2)CC1 ZINC000132976661 196301477 /nfs/dbraw/zinc/30/14/77/196301477.db2.gz HCAMNXNMVCVZPM-XGACYXMMSA-N 1 0 323.824 1.663 10 0 DDAERO O=S(=O)(NC[C@@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000133751104 196334267 /nfs/dbraw/zinc/33/42/67/196334267.db2.gz IVBHBPISVIHYJU-SECBINFHSA-N 1 0 319.224 1.337 10 0 DDAERO [NH3+]CC1(C(=O)Nc2cnn(Cc3ccccc3)c2)CCOCC1 ZINC000261539180 418569069 /nfs/dbraw/zinc/56/90/69/418569069.db2.gz BTIMZAZBEJFNJJ-UHFFFAOYSA-N 1 0 314.389 1.625 10 0 DDAERO CCCc1noc(CCCC(=O)N[C@H]2CCC[N@H+](CC)C2)n1 ZINC000194664361 418547065 /nfs/dbraw/zinc/54/70/65/418547065.db2.gz CSBZTXAHNVUTCM-ZDUSSCGKSA-N 1 0 308.426 1.945 10 0 DDAERO CCOCC[N@@H+]1CCN(CCO[C@@H]2CCCCO2)C[C@@H]1C ZINC000193050383 222142484 /nfs/dbraw/zinc/14/24/84/222142484.db2.gz LKFABCYBTZSWMC-JKSUJKDBSA-N 1 0 300.443 1.572 10 0 DDAERO COc1cccc(C)c1NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000193188419 222145123 /nfs/dbraw/zinc/14/51/23/222145123.db2.gz GFAKFJOKYAAEAL-GFCCVEGCSA-N 1 0 305.378 1.105 10 0 DDAERO COc1nc(N[C@H](CC[NH3+])C(F)F)ncc1Br ZINC000383497403 418733502 /nfs/dbraw/zinc/73/35/02/418733502.db2.gz YQAXHNAESAYHCQ-ZCFIWIBFSA-N 1 0 311.130 1.642 10 0 DDAERO CCn1cc(C[N@@H+]2CCCN(c3cncc(C)n3)CC2)cn1 ZINC000302240603 230196713 /nfs/dbraw/zinc/19/67/13/230196713.db2.gz XMSDLUUKTVOIMS-UHFFFAOYSA-N 1 0 300.410 1.714 10 0 DDAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cncc(Br)c1 ZINC000572782566 421862322 /nfs/dbraw/zinc/86/23/22/421862322.db2.gz WJODWHMICWJITH-ZWNOBZJWSA-N 1 0 314.227 1.825 10 0 DDAERO CO[C@@H]1CN(CC(=O)N(C)Cc2ccccc2)[C@@](C)(C[NH3+])C1 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319.405 1.104 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1cccnc1N(C)C ZINC000193462129 263486249 /nfs/dbraw/zinc/48/62/49/263486249.db2.gz JOZBDWVWBYULGB-OAHLLOKOSA-N 1 0 321.469 1.923 10 0 DDAERO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657698372 424479802 /nfs/dbraw/zinc/47/98/02/424479802.db2.gz WSNMVUCFSWDNBW-DJIMGWMZSA-N 1 0 301.434 1.575 10 0 DDAERO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000344328582 272000332 /nfs/dbraw/zinc/00/03/32/272000332.db2.gz QVCUOPRSGQITEA-XQQFMLRXSA-N 1 0 306.414 1.203 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000167800239 274044020 /nfs/dbraw/zinc/04/40/20/274044020.db2.gz QERSLAMJWKQKTG-GHMZBOCLSA-N 1 0 300.811 1.967 10 0 DDAERO C[C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000171867210 274194268 /nfs/dbraw/zinc/19/42/68/274194268.db2.gz FWVXOOLNNODDAY-MAUKXSAKSA-N 1 0 313.445 1.740 10 0 DDAERO c1cn2c(cccc2C[NH2+][C@H]2CCCN(c3cccnn3)C2)n1 ZINC000179036605 275072983 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Cc1csc(-c2cccc(C(=O)NC[C@H]3C[NH2+]C[C@@H]3O)c2)n1 ZINC000262233253 484265749 /nfs/dbraw/zinc/26/57/49/484265749.db2.gz KJFKPBAVYZDMJB-KGLIPLIRSA-N 1 0 317.414 1.429 10 0 DDAERO Cc1csc(-c2cccc(C(=O)NC[C@@H]3C[NH2+]C[C@H]3O)c2)n1 ZINC000262233254 484265919 /nfs/dbraw/zinc/26/59/19/484265919.db2.gz KJFKPBAVYZDMJB-UONOGXRCSA-N 1 0 317.414 1.429 10 0 DDAERO O=C(CCSc1ccc(Cl)cc1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262246682 484266749 /nfs/dbraw/zinc/26/67/49/484266749.db2.gz LGOYWEINFLRJTB-GXFFZTMASA-N 1 0 314.838 1.519 10 0 DDAERO O[C@H](COCc1ccccc1)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000661198723 484969590 /nfs/dbraw/zinc/96/95/90/484969590.db2.gz UAQHMHIBNDULOZ-MHORFTMASA-N 1 0 305.418 1.657 10 0 DDAERO CC(=O)Nc1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1C ZINC000195332963 500589432 /nfs/dbraw/zinc/58/94/32/500589432.db2.gz PMWJYSJPIFOONO-HNNXBMFYSA-N 1 0 301.390 1.874 10 0 DDAERO C[C@@H]1CN(C(=O)COc2cccc(Br)c2)C[C@H]1[NH3+] ZINC000423943901 534306132 /nfs/dbraw/zinc/30/61/32/534306132.db2.gz GRZLVPDXNXZAEV-BXKDBHETSA-N 1 0 313.195 1.634 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(c2noc(-c3ccccc3)n2)CC1 ZINC000157615777 522998817 /nfs/dbraw/zinc/99/88/17/522998817.db2.gz DQUZQUXIPXSGPX-CQSZACIVSA-N 1 0 302.378 1.630 10 0 DDAERO CC[C@H](C[NH3+])[C@H](O)c1ncc(I)s1 ZINC000308205601 563503835 /nfs/dbraw/zinc/50/38/35/563503835.db2.gz HOPHQOJDAKJTMJ-VDTYLAMSSA-N 1 0 312.176 1.766 10 0 DDAERO CC[C@@H]1CN(CN2C[C@H](C(C)C)CC2=O)CC[N@@H+]1CCOC ZINC000117324274 696670263 /nfs/dbraw/zinc/67/02/63/696670263.db2.gz BGMVXKDMJVAZBT-HZPDHXFCSA-N 1 0 311.470 1.491 10 0 DDAERO Cn1c(-c2ccco2)nn(CN2CC[C@H]([NH+](C)C)C2)c1=S ZINC000170842924 697350929 /nfs/dbraw/zinc/35/09/29/697350929.db2.gz UATBXKGGDAYOFP-NSHDSACASA-N 1 0 307.423 1.804 10 0 DDAERO COc1ccc([C@@H](C)[NH2+]CC(=O)N2CCO[C@H](C)C2)cc1OC ZINC000180884064 697453281 /nfs/dbraw/zinc/45/32/81/697453281.db2.gz KVAFNVJOPPXKNW-CHWSQXEVSA-N 1 0 322.405 1.602 10 0 DDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000193619030 697675152 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C[C@H](CNS(=O)(=O)/C=C\c1ccccc1)CN1CCOCC1 ZINC000255318873 698415647 /nfs/dbraw/zinc/41/56/47/698415647.db2.gz MMPFFZZLTUVDAZ-WASHYIJTSA-N 1 0 324.446 1.545 10 0 DDAERO O=S(=O)(/C=C\c1ccccc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000255405749 698417730 /nfs/dbraw/zinc/41/77/30/698417730.db2.gz ZGWMMGVVBVJQGK-CKDIWJPDSA-N 1 0 324.446 1.424 10 0 DDAERO O=C(/C=C\Sc1ccccc1)NC[C@@H](O)CN1CCOCC1 ZINC000255584812 698420879 /nfs/dbraw/zinc/42/08/79/698420879.db2.gz UUSZJOHFLULEHV-RQWJFSOLSA-N 1 0 322.430 1.102 10 0 DDAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000261617467 698429790 /nfs/dbraw/zinc/42/97/90/698429790.db2.gz AZRGQONUYJNEHQ-JTQLQIEISA-N 1 0 311.432 1.696 10 0 DDAERO Cc1cc2c(cc1S(=O)(=O)N[C@@H]1CCC[NH2+][C@H]1C)OCO2 ZINC000261708589 698433656 /nfs/dbraw/zinc/43/36/56/698433656.db2.gz PKBNLIYUHLRNQI-WDEREUQCSA-N 1 0 312.391 1.143 10 0 DDAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000261847549 698440715 /nfs/dbraw/zinc/44/07/15/698440715.db2.gz 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10 0 DDAERO COc1ncc(Cl)c(N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)n1 ZINC000720846893 699309595 /nfs/dbraw/zinc/30/95/95/699309595.db2.gz WPRQPJUYKQCSPJ-BQBZGAKWSA-N 1 0 310.707 1.712 10 0 DDAERO C[C@@H](C[NH2+]Cc1cnc2n1CCOC2)N(C)C(=O)OC(C)(C)C ZINC000722823381 699319927 /nfs/dbraw/zinc/31/99/27/699319927.db2.gz BYAYIPNEBKDUBO-LBPRGKRZSA-N 1 0 324.425 1.758 10 0 DDAERO CN(C[C@@H]1CC[N@H+](C)C1)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724108319 699325068 /nfs/dbraw/zinc/32/50/68/699325068.db2.gz IQUWTFAHOFYGES-NXEZZACHSA-N 1 0 304.303 1.819 10 0 DDAERO C/C=C/[C@H](O)C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000907571180 712596814 /nfs/dbraw/zinc/59/68/14/712596814.db2.gz REOILIYMDMOQCW-VWSXDQIGSA-N 1 0 312.410 1.714 10 0 DDAERO O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)C1C[NH2+]C1 ZINC000263309149 295658885 /nfs/dbraw/zinc/65/88/85/295658885.db2.gz OYAYWIYDEUHPKN-HNNXBMFYSA-N 1 0 323.824 1.049 10 0 DDAERO CCCCOC[C@@H](O)C[N@@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000248638789 282095116 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CCC[NH2+][C@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000081934638 192342841 /nfs/dbraw/zinc/34/28/41/192342841.db2.gz ZMFNPAHTTWJRID-KBPBESRZSA-N 1 0 319.373 1.896 10 0 DDAERO [NH3+][C@H]1CCCC[C@@H]1S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000081936192 192342983 /nfs/dbraw/zinc/34/29/83/192342983.db2.gz PHKCOEVFOSWWIE-WFASDCNBSA-N 1 0 311.403 1.892 10 0 DDAERO C[NH2+][C@H](CS(=O)(=O)CCOC)C12CC3CC(CC(C3)C1)C2 ZINC000081943416 192343592 /nfs/dbraw/zinc/34/35/92/192343592.db2.gz OFHAMRLGMZKDHV-IBHBGHMQSA-N 1 0 315.479 1.852 10 0 DDAERO CC(C)(C)[C@H](CC[NH3+])CCC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000079291502 185163598 /nfs/dbraw/zinc/16/35/98/185163598.db2.gz YOCYSBSOJUITDJ-OLZOCXBDSA-N 1 0 318.483 1.329 10 0 DDAERO COCCN(C(=O)CC[C@H](CC[NH3+])C(C)C)[C@H](C)COC ZINC000079278189 185163044 /nfs/dbraw/zinc/16/30/44/185163044.db2.gz SGQRJRAWWMXZIJ-HUUCEWRRSA-N 1 0 302.459 1.898 10 0 DDAERO CCN(C(=O)CC[C@@H](CC[NH3+])C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000079276699 185163049 /nfs/dbraw/zinc/16/30/49/185163049.db2.gz LWYYVAWEIXCFSB-UONOGXRCSA-N 1 0 318.483 1.423 10 0 DDAERO C[C@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(Br)s1 ZINC000082559579 185191010 /nfs/dbraw/zinc/19/10/10/185191010.db2.gz BWXKPBUTIOMKGH-IONNQARKSA-N 1 0 303.225 1.982 10 0 DDAERO CCN(C[C@@H](O)C(F)(F)F)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000249512426 282163681 /nfs/dbraw/zinc/16/36/81/282163681.db2.gz OIHZMTUZXWIEOF-WDEREUQCSA-N 1 0 311.348 1.425 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(CC(N)=O)CC1 ZINC000124428718 539181127 /nfs/dbraw/zinc/18/11/27/539181127.db2.gz PZLDCUPPXXFSQQ-OAHLLOKOSA-N 1 0 324.469 1.404 10 0 DDAERO CCC[C@H](C[NH3+])NS(=O)(=O)c1ccc2c(c1)[C@@H](C)C(=O)N2 ZINC000087404020 185223952 /nfs/dbraw/zinc/22/39/52/185223952.db2.gz NLNSLJDRWXQLRG-NXEZZACHSA-N 1 0 311.407 1.148 10 0 DDAERO CCNS(=O)(=O)c1ccc(NC(=O)[C@H](C[NH3+])C(C)C)cc1 ZINC000087520095 185227795 /nfs/dbraw/zinc/22/77/95/185227795.db2.gz WSQFAEJRSIAISE-CYBMUJFWSA-N 1 0 313.423 1.154 10 0 DDAERO CC[C@H](C[NH3+])C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000087532210 185227815 /nfs/dbraw/zinc/22/78/15/185227815.db2.gz YBWXDWYUDBEEPL-LLVKDONJSA-N 1 0 313.423 1.169 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1CNCc1sccc1Br ZINC000087575910 185228578 /nfs/dbraw/zinc/22/85/78/185228578.db2.gz PQHJDNXWGLIHDK-SCZZXKLOSA-N 1 0 305.241 1.835 10 0 DDAERO C[C@@H]([NH3+])CCC[C@H](C)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000087699353 185230754 /nfs/dbraw/zinc/23/07/54/185230754.db2.gz TWCNXGPQYPWEPK-NWDGAFQWSA-N 1 0 309.376 1.847 10 0 DDAERO Cc1ccc(Br)cc1C(=O)NC[C@H]([NH3+])[C@H](C)O ZINC000087744273 185231188 /nfs/dbraw/zinc/23/11/88/185231188.db2.gz MBQJNYPCKSOWLR-KWQFWETISA-N 1 0 301.184 1.195 10 0 DDAERO C[NH2+][C@H]1CC(C)(C)Cc2c1cnn2[C@]1(C)CCS(=O)(=O)C1 ZINC000087862182 185233922 /nfs/dbraw/zinc/23/39/22/185233922.db2.gz GUGONPYNDCFCJC-SWLSCSKDSA-N 1 0 311.451 1.650 10 0 DDAERO CCCCS(=O)(=O)C[C@@H]([NH2+]C)c1ccc2c(c1)OCCO2 ZINC000081974177 192348113 /nfs/dbraw/zinc/34/81/13/192348113.db2.gz ZDPFBTLRJWYXGY-CYBMUJFWSA-N 1 0 313.419 1.933 10 0 DDAERO Cc1ccc([C@H](C)[NH2+]CC(=O)NCC(=O)N2CCCC2)cc1F ZINC000181352855 539237888 /nfs/dbraw/zinc/23/78/88/539237888.db2.gz NZQGMCIVPHQXRI-ZDUSSCGKSA-N 1 0 321.396 1.523 10 0 DDAERO COc1ccc(Br)c(NS(=O)(=O)CCC[NH3+])c1 ZINC000088320575 185245448 /nfs/dbraw/zinc/24/54/48/185245448.db2.gz JPYMYYNSWSNHAH-UHFFFAOYSA-N 1 0 323.212 1.548 10 0 DDAERO CCc1nn(C)cc1C[N@@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000183395618 539242032 /nfs/dbraw/zinc/24/20/32/539242032.db2.gz SKOPAARVIJPRBK-UHFFFAOYSA-N 1 0 318.425 1.382 10 0 DDAERO CCOC(=O)[C@@](N)(C[NH+]1CCC(C(F)(F)F)CC1)C1CC1 ZINC000088435419 185250554 /nfs/dbraw/zinc/25/05/54/185250554.db2.gz ZKJOJENWQPTRDF-CYBMUJFWSA-N 1 0 308.344 1.931 10 0 DDAERO COC[C@@H]1C[N@H+](C[C@H](O)COCc2ccccc2)C[C@@H](C)O1 ZINC000251869417 282205803 /nfs/dbraw/zinc/20/58/03/282205803.db2.gz OXKMWAGHRGQOGQ-PVAVHDDUSA-N 1 0 309.406 1.300 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCOC[C@H]2CC)o1 ZINC000088543940 185256638 /nfs/dbraw/zinc/25/66/38/185256638.db2.gz ZGNVQCQEPUIGOI-LLVKDONJSA-N 1 0 302.396 1.189 10 0 DDAERO CCOC(=O)CS(=O)(=O)C[C@@H]([NH3+])c1ccc(OCC)cc1 ZINC000081977837 192348784 /nfs/dbraw/zinc/34/87/84/192348784.db2.gz XSYLZVPSMXXRRZ-CYBMUJFWSA-N 1 0 315.391 1.063 10 0 DDAERO C[C@@H]1C[NH2+][C@@H](Cc2ccccc2)CN1[C@H]1C=CS(=O)(=O)C1 ZINC000088860133 185267519 /nfs/dbraw/zinc/26/75/19/185267519.db2.gz JOUVEWOULYUWNN-KBMXLJTQSA-N 1 0 306.431 1.202 10 0 DDAERO CCOc1cnc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)cn1 ZINC000249139657 539273319 /nfs/dbraw/zinc/27/33/19/539273319.db2.gz IVQHUOWTMRPSPK-STQMWFEESA-N 1 0 304.394 1.574 10 0 DDAERO CC[NH2+][C@@H]1c2ccccc2C[C@H]1S(=O)(=O)C1CCOCC1 ZINC000081990541 192350595 /nfs/dbraw/zinc/35/05/95/192350595.db2.gz RZSNICJVIHPTFG-HZPDHXFCSA-N 1 0 309.431 1.856 10 0 DDAERO CS(=O)(=O)c1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000081990838 192351346 /nfs/dbraw/zinc/35/13/46/192351346.db2.gz XUBRRMNVCJCNBJ-OLZOCXBDSA-N 1 0 317.432 1.134 10 0 DDAERO CN1C(=O)CC[C@@H]([NH2+]Cc2c[nH]nc2-c2cccs2)C1=O ZINC000090026605 185278768 /nfs/dbraw/zinc/27/87/68/185278768.db2.gz OBIWEIZNOGBMQW-SNVBAGLBSA-N 1 0 304.375 1.375 10 0 DDAERO Nc1c[nH+]c2ccc(Br)cc2c1NC[C@H](O)CO ZINC000090282677 185289264 /nfs/dbraw/zinc/28/92/64/185289264.db2.gz ICSNBPUKIHVFPB-QMMMGPOBSA-N 1 0 312.167 1.345 10 0 DDAERO CCCN(CC(=O)Nc1cccc2nsnc21)C1C[NH2+]C1 ZINC000090293985 185289961 /nfs/dbraw/zinc/28/99/61/185289961.db2.gz UBNIZMWGVOUYDY-UHFFFAOYSA-N 1 0 305.407 1.314 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NC(=O)c1ccc(Br)s1 ZINC000090311409 185290438 /nfs/dbraw/zinc/29/04/38/185290438.db2.gz DYKOARRIAVWKFQ-XSSZXYGBSA-N 1 0 319.224 1.745 10 0 DDAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000090326308 185291442 /nfs/dbraw/zinc/29/14/42/185291442.db2.gz XJUJEPLJRITZHJ-KKZNHRDASA-N 1 0 302.346 1.193 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1c1ccccc1S(=O)(=O)NC ZINC000090334223 185291670 /nfs/dbraw/zinc/29/16/70/185291670.db2.gz YUDBWJTUACNOGU-JHJVBQTASA-N 1 0 309.435 1.029 10 0 DDAERO CCCN(CCC)S(=O)(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000090337100 185291853 /nfs/dbraw/zinc/29/18/53/185291853.db2.gz RRSSFKSLBBFOOG-STQMWFEESA-N 1 0 303.472 1.283 10 0 DDAERO CCS(=O)(=O)c1ccccc1N1C[C@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000090338684 185291881 /nfs/dbraw/zinc/29/18/81/185291881.db2.gz JSHCGHCPIGPAQK-OLZOCXBDSA-N 1 0 308.447 1.914 10 0 DDAERO [NH3+][C@H]1COC[C@@H]1c1nnc2c(Cl)cc(C(F)(F)F)cn21 ZINC000090364096 185292896 /nfs/dbraw/zinc/29/28/96/185292896.db2.gz SKXCLAOWLGSONS-XPUUQOCRSA-N 1 0 306.675 1.843 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000090431545 185295812 /nfs/dbraw/zinc/29/58/12/185295812.db2.gz HSJTVIAAPGBJIP-RYUDHWBXSA-N 1 0 302.296 1.556 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(Br)c(C)c1 ZINC000090431575 185295902 /nfs/dbraw/zinc/29/59/02/185295902.db2.gz ACXNVNNSDNQPHW-CMPLNLGQSA-N 1 0 313.195 1.930 10 0 DDAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@H]1COC[C@H]1[NH2+]C ZINC000090437824 185296537 /nfs/dbraw/zinc/29/65/37/185296537.db2.gz GJAGUEOWESQCED-WDEREUQCSA-N 1 0 312.391 1.406 10 0 DDAERO C[C@@]1(C(=O)Nc2cc(Br)ccc2F)COC[C@H]1[NH3+] ZINC000090583665 185305303 /nfs/dbraw/zinc/30/53/03/185305303.db2.gz DDIQSQNRVQBJKD-ZYHUDNBSSA-N 1 0 317.158 1.891 10 0 DDAERO CCC[NH2+][C@H]1COC[C@H]1CN1CCN(c2nccs2)CC1 ZINC000090566005 185304150 /nfs/dbraw/zinc/30/41/50/185304150.db2.gz CFYDGIWUHWXMGS-KGLIPLIRSA-N 1 0 310.467 1.280 10 0 DDAERO Cc1nn(C)c(C)c1CNC(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000092342930 185313270 /nfs/dbraw/zinc/31/32/70/185313270.db2.gz BUWPNKHPZNNNLD-UHFFFAOYSA-N 1 0 308.773 1.301 10 0 DDAERO CC[NH2+]C[C@@H](C)Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C ZINC000092320448 185312312 /nfs/dbraw/zinc/31/23/12/185312312.db2.gz MKTXQGXLZKPJAG-FZMZJTMJSA-N 1 0 313.467 1.648 10 0 DDAERO CS(=O)(=O)c1ccc(C[NH2+]CCNCC(F)(F)F)cc1 ZINC000092435271 185317914 /nfs/dbraw/zinc/31/79/14/185317914.db2.gz QJJMPJSRMWWNIU-UHFFFAOYSA-N 1 0 310.341 1.332 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1c(C)cccc1N ZINC000092622708 185329645 /nfs/dbraw/zinc/32/96/45/185329645.db2.gz FULBDSRSVKMRRO-CYBMUJFWSA-N 1 0 311.451 1.682 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(O)c(N)c1 ZINC000092622685 185329780 /nfs/dbraw/zinc/32/97/80/185329780.db2.gz GCULJRUBNFHKAL-LLVKDONJSA-N 1 0 313.423 1.079 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cccnc1Cl ZINC000092627890 185330287 /nfs/dbraw/zinc/33/02/87/185330287.db2.gz BTVOTXSEKJFVOO-NSHDSACASA-N 1 0 317.842 1.840 10 0 DDAERO CN(c1cc2c(cc1Cl)[C@@H](O)C(=O)N2)C1CC[NH+](C)CC1 ZINC000092770916 185339272 /nfs/dbraw/zinc/33/92/72/185339272.db2.gz YFIIMGKOKKJBEO-CQSZACIVSA-N 1 0 309.797 1.856 10 0 DDAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(Sc2nc[nH]n2)cc1 ZINC000092952982 185350396 /nfs/dbraw/zinc/35/03/96/185350396.db2.gz DCLBVFBBJSNWHW-CABZTGNLSA-N 1 0 303.391 1.892 10 0 DDAERO C[C@H]([NH2+]CCN1C(=O)NC(C)(C)C1=O)c1ccc(F)c(F)c1 ZINC000181626063 199329399 /nfs/dbraw/zinc/32/93/99/199329399.db2.gz IRKAIDNDQVGTOV-VIFPVBQESA-N 1 0 311.332 1.946 10 0 DDAERO CN(C)c1cc[nH+]cc1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000183956537 282307426 /nfs/dbraw/zinc/30/74/26/282307426.db2.gz WQGAMRQGXIKMNY-SUMWQHHRSA-N 1 0 303.406 1.915 10 0 DDAERO CC(C)[C@H](O)CC(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000157939001 290735768 /nfs/dbraw/zinc/73/57/68/290735768.db2.gz NMASJHZWRFJAGC-OAHLLOKOSA-N 1 0 321.421 1.922 10 0 DDAERO O=C(NCCOC1CC[NH2+]CC1)c1ccc(Cl)cc1F ZINC000111789751 185636893 /nfs/dbraw/zinc/63/68/93/185636893.db2.gz RZOIOURUWAJXOI-UHFFFAOYSA-N 1 0 300.761 1.978 10 0 DDAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000286808385 219176949 /nfs/dbraw/zinc/17/69/49/219176949.db2.gz ICHQXRKMXDOMCZ-MRVPVSSYSA-N 1 0 307.778 1.199 10 0 DDAERO COC[C@@H](O)COc1ccc(Br)cc1[C@@H](C)[NH3+] ZINC000069053793 190794869 /nfs/dbraw/zinc/79/48/69/190794869.db2.gz HXYSJKUJDUQWBR-PSASIEDQSA-N 1 0 304.184 1.855 10 0 DDAERO C[NH2+][C@H](C)CNC(=O)CCC(=O)N1CCSc2ccccc21 ZINC000261761472 290819524 /nfs/dbraw/zinc/81/95/24/290819524.db2.gz OIGVIWLGCBKQET-GFCCVEGCSA-N 1 0 321.446 1.630 10 0 DDAERO CC[C@@]1(C)C[C@@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)CCO1 ZINC000070348533 190881545 /nfs/dbraw/zinc/88/15/45/190881545.db2.gz ASUCRIFNUBYQDI-KBPBESRZSA-N 1 0 304.456 1.348 10 0 DDAERO [NH3+][C@@H]1CCN(c2cc(-c3ccncc3)nc(-c3cnccn3)n2)C1 ZINC000070455900 190896052 /nfs/dbraw/zinc/89/60/52/190896052.db2.gz HKBMJTYWVVSKIB-CYBMUJFWSA-N 1 0 319.372 1.533 10 0 DDAERO C[C@H](NC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1ccsc1 ZINC000071221298 190944512 /nfs/dbraw/zinc/94/45/12/190944512.db2.gz BDYIYHWAYOUWOX-JTQLQIEISA-N 1 0 305.407 1.755 10 0 DDAERO CC[C@H](C)[C@H]1CN(CCS(C)(=O)=O)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071356405 190961922 /nfs/dbraw/zinc/96/19/22/190961922.db2.gz CMKQDOCAVCARIE-NWANDNLSSA-N 1 0 302.484 1.520 10 0 DDAERO CCCN(c1ccc(S(N)(=O)=O)cc1F)[C@H]1CC[NH2+]C1 ZINC000071391242 190966122 /nfs/dbraw/zinc/96/61/22/190966122.db2.gz ZDQYJASTABOLBF-JTQLQIEISA-N 1 0 301.387 1.051 10 0 DDAERO C[NH2+][C@@H](C)c1cccc(S[C@H]2CS(=O)(=O)C[C@@H]2O)c1 ZINC000084124481 192403766 /nfs/dbraw/zinc/40/37/66/192403766.db2.gz WNSWWABGUPSHLR-XDTLVQLUSA-N 1 0 301.433 1.217 10 0 DDAERO CCOC(=O)CS(=O)(=O)[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000084271290 192419117 /nfs/dbraw/zinc/41/91/17/192419117.db2.gz XNJURDIKFWTACQ-AGIUHOORSA-N 1 0 319.467 1.754 10 0 DDAERO [NH3+]C[C@@H]1c2cc(F)c(F)c(F)c2CN1CCN1CCOCC1 ZINC000071683693 191006629 /nfs/dbraw/zinc/00/66/29/191006629.db2.gz FIAFYQXAAVDBRC-CYBMUJFWSA-N 1 0 315.339 1.252 10 0 DDAERO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000144905713 186036014 /nfs/dbraw/zinc/03/60/14/186036014.db2.gz BTXPCKWAALLBLX-MJBXVCDLSA-N 1 0 316.401 1.906 10 0 DDAERO CN(C)c1cccc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000179677960 186203847 /nfs/dbraw/zinc/20/38/47/186203847.db2.gz OQYZVGPACUXGEF-CQSZACIVSA-N 1 0 303.410 1.137 10 0 DDAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000186030853 186233540 /nfs/dbraw/zinc/23/35/40/186233540.db2.gz AQOYEFMSYQJTSW-FUHWJXTLSA-N 1 0 318.417 1.177 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cncnc1OC ZINC000182040162 199377934 /nfs/dbraw/zinc/37/79/34/199377934.db2.gz QTBPJSRRMUFUNA-VXGBXAGGSA-N 1 0 305.382 1.576 10 0 DDAERO Cn1c2ccc(NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc2oc1=O ZINC000171893941 198003399 /nfs/dbraw/zinc/00/33/99/198003399.db2.gz JXACRXLNHOATBW-GFCCVEGCSA-N 1 0 316.361 1.443 10 0 DDAERO O[C@H]1COCC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000623764287 366042195 /nfs/dbraw/zinc/04/21/95/366042195.db2.gz BLJAFLCEWHZIPG-NEPJUHHUSA-N 1 0 304.159 1.828 10 0 DDAERO Cc1ncccc1NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000072616909 191202526 /nfs/dbraw/zinc/20/25/26/191202526.db2.gz PZFKVRPCPNBGCQ-ZDUSSCGKSA-N 1 0 306.410 1.421 10 0 DDAERO COc1ccc(CNC(=O)CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000172801000 198151024 /nfs/dbraw/zinc/15/10/24/198151024.db2.gz FQHQMZLCSGNHGY-MRXNPFEDSA-N 1 0 317.433 1.482 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCOc2ccc(OC)cc2)C1 ZINC000052519259 352613083 /nfs/dbraw/zinc/61/30/83/352613083.db2.gz UWZBYPAZYTXCQO-CQSZACIVSA-N 1 0 321.421 1.858 10 0 DDAERO O=C(c1cn(Cc2cccs2)nn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173402696 198211056 /nfs/dbraw/zinc/21/10/56/198211056.db2.gz UYVJLCCQPKKRLI-GFCCVEGCSA-N 1 0 317.418 1.308 10 0 DDAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108338636 353950370 /nfs/dbraw/zinc/95/03/70/353950370.db2.gz NZNIAZGGMIGBKO-KBPBESRZSA-N 1 0 318.421 1.655 10 0 DDAERO [NH3+][C@@H](CNc1ncc(I)cn1)C1CC1 ZINC000126281180 354053266 /nfs/dbraw/zinc/05/32/66/354053266.db2.gz XCYCETRHVNXIFS-QMMMGPOBSA-N 1 0 304.135 1.230 10 0 DDAERO Cc1ccc(C[C@H](C)[N@H+](C)C[C@H](O)CN2CCCC2=O)cc1 ZINC000151133894 354180792 /nfs/dbraw/zinc/18/07/92/354180792.db2.gz ZLFNDIVSXMDMNB-RDJZCZTQSA-N 1 0 304.434 1.841 10 0 DDAERO CC(C)C[C@H]([NH3+])C(=O)N[C@H]1c2ccccc2C=NN(C)C1=O ZINC000167645946 354250473 /nfs/dbraw/zinc/25/04/73/354250473.db2.gz QQYIPYUJQRZMGE-KBPBESRZSA-N 1 0 302.378 1.023 10 0 DDAERO C[C@H]1CN(c2ncc(I)cn2)CC[C@H]1[NH3+] ZINC000253177606 354385343 /nfs/dbraw/zinc/38/53/43/354385343.db2.gz QRDCRFALXLYSBZ-IONNQARKSA-N 1 0 318.162 1.255 10 0 DDAERO CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000262602678 354393431 /nfs/dbraw/zinc/39/34/31/354393431.db2.gz AINJFZJEUAYBCX-XJFOESAGSA-N 1 0 316.467 1.318 10 0 DDAERO CCn1cnnc1[C@@H]1CN(Cc2c[nH+]ccc2N(C)C)CCO1 ZINC000328623341 354549696 /nfs/dbraw/zinc/54/96/96/354549696.db2.gz BWYMYHIUZSSEJF-HNNXBMFYSA-N 1 0 316.409 1.333 10 0 DDAERO OCCN1CCC[C@@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC000395014529 354649751 /nfs/dbraw/zinc/64/97/51/354649751.db2.gz MYNJKRRLPWGVOM-CQSZACIVSA-N 1 0 313.239 1.995 10 0 DDAERO CCN(Cc1ccccc1)C(=O)CN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000403979125 354671133 /nfs/dbraw/zinc/67/11/33/354671133.db2.gz DMALRBKUUSNYJN-IRXDYDNUSA-N 1 0 317.433 1.098 10 0 DDAERO Cc1ccc([C@@H](C)NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)o1 ZINC000073503362 191322757 /nfs/dbraw/zinc/32/27/57/191322757.db2.gz KGHFKTXOSMKVIQ-DZGCQCFKSA-N 1 0 322.453 1.832 10 0 DDAERO CC(C)[C@@H]1Oc2ccc(N)nc2N(C[C@H]2CCC[NH2+]C2)C1=O ZINC000075259270 191451793 /nfs/dbraw/zinc/45/17/93/191451793.db2.gz HDFMTZHDNAFZLF-FZMZJTMJSA-N 1 0 304.394 1.413 10 0 DDAERO CC[NH2+][C@H](CO)CCSc1ccc(S(C)(=O)=O)cc1 ZINC000085290220 192487347 /nfs/dbraw/zinc/48/73/47/192487347.db2.gz PBAZPIRTGYBNMM-NSHDSACASA-N 1 0 303.449 1.543 10 0 DDAERO NC(=[NH2+])C1(NS(=O)(=O)C[C@@H]2CCCO2)CCCCCC1 ZINC000079787231 191973284 /nfs/dbraw/zinc/97/32/84/191973284.db2.gz JUAJDIZIIVNFET-NSHDSACASA-N 1 0 303.428 1.114 10 0 DDAERO CC[C@H](NS(=O)(=O)CCC[NH2+]C(C)C)c1nccs1 ZINC000080315110 192023092 /nfs/dbraw/zinc/02/30/92/192023092.db2.gz AMFWVUNEEMZYQY-NSHDSACASA-N 1 0 305.469 1.902 10 0 DDAERO CC(=O)N1CCC[N@H+](C[C@H](C(N)=S)c2ccccc2)CC1 ZINC000080797491 192192212 /nfs/dbraw/zinc/19/22/12/192192212.db2.gz UVCJYRBKRQKYGF-HNNXBMFYSA-N 1 0 305.447 1.611 10 0 DDAERO CCCCN(C(=O)[C@H]1CCCCC[NH2+]1)[C@H]1CCS(=O)(=O)C1 ZINC000080995946 192211377 /nfs/dbraw/zinc/21/13/77/192211377.db2.gz ZKELCTIZVUMZMD-UONOGXRCSA-N 1 0 316.467 1.334 10 0 DDAERO CCOC(=O)CCC[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000081544862 192287755 /nfs/dbraw/zinc/28/77/55/192287755.db2.gz MGQQYKDQVSCROB-LLVKDONJSA-N 1 0 314.407 1.328 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cnc(N)c(Cl)c1 ZINC000081680830 192313467 /nfs/dbraw/zinc/31/34/67/192313467.db2.gz IYTCYDQBICSKDI-SECBINFHSA-N 1 0 318.830 1.080 10 0 DDAERO CCC(C)(C)NC(=O)CN(CC(F)(F)F)C1CC[NH2+]CC1 ZINC000085402780 192502036 /nfs/dbraw/zinc/50/20/36/192502036.db2.gz LQPZGSFRQBDBLR-UHFFFAOYSA-N 1 0 309.376 1.908 10 0 DDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1n[nH]c(-c2ccccc2OC)n1 ZINC000236922977 202073871 /nfs/dbraw/zinc/07/38/71/202073871.db2.gz HOKPITWBNUPGMW-JOYOIKCWSA-N 1 0 303.366 1.792 10 0 DDAERO CC(C)[NH2+]CCn1cc(S(=O)(=O)N2CCCCC2)cn1 ZINC000088921885 192658313 /nfs/dbraw/zinc/65/83/13/192658313.db2.gz NBXWDJFFKVNFFH-UHFFFAOYSA-N 1 0 300.428 1.056 10 0 DDAERO C[NH2+]CCn1cc(S(=O)(=O)N2CCCCCCC2)cn1 ZINC000088936427 192661248 /nfs/dbraw/zinc/66/12/48/192661248.db2.gz LLRHRBHLOVNQPO-UHFFFAOYSA-N 1 0 300.428 1.057 10 0 DDAERO CCCN(C(C)C)S(=O)(=O)c1c(C)nn(CC[NH2+]C)c1C ZINC000088945231 192664006 /nfs/dbraw/zinc/66/40/06/192664006.db2.gz VUVPGSMKOLRUFX-UHFFFAOYSA-N 1 0 316.471 1.528 10 0 DDAERO CC[NH2+]Cc1cccc(S(=O)(=O)NCC(F)(F)F)c1C ZINC000088985087 192680476 /nfs/dbraw/zinc/68/04/76/192680476.db2.gz UQVAXLBQWIHALS-UHFFFAOYSA-N 1 0 310.341 1.945 10 0 DDAERO CC[NH2+]Cc1ccccc1S(=O)(=O)NCc1nccs1 ZINC000088999702 192689917 /nfs/dbraw/zinc/68/99/17/192689917.db2.gz IIXZEMNPCASMOL-UHFFFAOYSA-N 1 0 311.432 1.731 10 0 DDAERO C[C@H]1CCN(CC(=O)NC(=O)NC2CCCCC2)[C@@H](C[NH3+])C1 ZINC000262541551 290578686 /nfs/dbraw/zinc/57/86/86/290578686.db2.gz RFAOMVVYJYBOMS-GXTWGEPZSA-N 1 0 310.442 1.204 10 0 DDAERO Cn1c2cccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c2oc1=O ZINC000179312374 199014027 /nfs/dbraw/zinc/01/40/27/199014027.db2.gz PNMAHEYCXIQYNC-LLVKDONJSA-N 1 0 301.346 1.052 10 0 DDAERO C[NH2+]CCn1cc(S(=O)(=O)N(CC(C)C)C(C)C)cn1 ZINC000089005343 192692555 /nfs/dbraw/zinc/69/25/55/192692555.db2.gz MJYUCICREYWUSH-UHFFFAOYSA-N 1 0 302.444 1.158 10 0 DDAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](O)c2ccccc2)CC1 ZINC000180353690 199148892 /nfs/dbraw/zinc/14/88/92/199148892.db2.gz IEQPVICTFXLBQA-PBHICJAKSA-N 1 0 320.433 1.271 10 0 DDAERO COCCOc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)ccn1 ZINC000180406467 199155294 /nfs/dbraw/zinc/15/52/94/199155294.db2.gz WJHUDXJTNZTOIB-UKRRQHHQSA-N 1 0 319.405 1.416 10 0 DDAERO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NCC1CCCCCCC1 ZINC000237319768 202230049 /nfs/dbraw/zinc/23/00/49/202230049.db2.gz RGZKPUVOMNQUME-CYBMUJFWSA-N 1 0 304.456 1.225 10 0 DDAERO CCn1nc(C)c(Br)c1C[C@@]1(C[NH3+])CCOC1 ZINC000089300891 192761915 /nfs/dbraw/zinc/76/19/15/192761915.db2.gz LEZPZWRZFNTSQI-GFCCVEGCSA-N 1 0 302.216 1.882 10 0 DDAERO NC(=O)CSc1ccccc1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089453253 192792892 /nfs/dbraw/zinc/79/28/92/192792892.db2.gz AZAJJBXKOLWXTM-WDEREUQCSA-N 1 0 307.419 1.578 10 0 DDAERO [NH3+]C[C@@H]1CCCC[C@@H]1COC1=NS(=O)(=O)c2ccccc21 ZINC000089538192 192813115 /nfs/dbraw/zinc/81/31/15/192813115.db2.gz GAVBVEVCMDHLTO-NWDGAFQWSA-N 1 0 308.403 1.917 10 0 DDAERO [NH3+]CCn1cc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)nn1 ZINC000089699183 192845278 /nfs/dbraw/zinc/84/52/78/192845278.db2.gz MLRLNZUCDYJMML-IUCAKERBSA-N 1 0 305.304 1.088 10 0 DDAERO O=C(NCC[N@@H+]1CCCOCC1)N[C@@H]1COc2ccccc21 ZINC000187077812 200057927 /nfs/dbraw/zinc/05/79/27/200057927.db2.gz VHRVSGHWQMDINH-CQSZACIVSA-N 1 0 305.378 1.142 10 0 DDAERO COC(=O)NC(C)(C)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000182535779 291191987 /nfs/dbraw/zinc/19/19/87/291191987.db2.gz IFLPJKCDVJMOHW-ZDUSSCGKSA-N 1 0 321.421 1.758 10 0 DDAERO COc1cc(C)c(NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)cc1F ZINC000187933500 200179232 /nfs/dbraw/zinc/17/92/32/200179232.db2.gz 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CC[NH2+][C@@H](Cc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 ZINC000094713196 193393000 /nfs/dbraw/zinc/39/30/00/193393000.db2.gz DEEMZULDPFVMRJ-YPMHNXCESA-N 1 0 303.374 1.920 10 0 DDAERO CS(=O)(=O)[C@H]1CCC[C@H](Oc2ccc(CC(N)=[NH2+])cc2)C1 ZINC000094637273 193387328 /nfs/dbraw/zinc/38/73/28/193387328.db2.gz KJCWIAJRNHCLLJ-KBPBESRZSA-N 1 0 310.419 1.900 10 0 DDAERO CC(C)C[C@H](C[NH3+])C(=O)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000094697894 193391858 /nfs/dbraw/zinc/39/18/58/193391858.db2.gz JZXXZZURMXHJGD-LLVKDONJSA-N 1 0 313.423 1.618 10 0 DDAERO Cc1c(F)cc(N)cc1S(=O)(=O)NCC[N@@H+](C)C1CC1 ZINC000094360557 193366032 /nfs/dbraw/zinc/36/60/32/193366032.db2.gz SZMXBSXXYHJZNU-UHFFFAOYSA-N 1 0 301.387 1.089 10 0 DDAERO CC[NH+](CC)CCN[C@@]1(C(=O)OC)CC(C)(C)OC1(C)C ZINC000094425457 193368338 /nfs/dbraw/zinc/36/83/38/193368338.db2.gz PLLCOMCCTNUTGL-MRXNPFEDSA-N 1 0 300.443 1.807 10 0 DDAERO C(OC1CC[NH2+]CC1)c1nc([C@H]2CSCCS2)no1 ZINC000094496004 193374045 /nfs/dbraw/zinc/37/40/45/193374045.db2.gz ULOXNWFYDFJIKT-SNVBAGLBSA-N 1 0 301.437 1.859 10 0 DDAERO [NH3+]C[C@@H]1CC[C@H](C(=O)N(Cc2ccco2)CC(F)(F)F)O1 ZINC000094567779 193380765 /nfs/dbraw/zinc/38/07/65/193380765.db2.gz FVMYHYUDZLAJKJ-GXSJLCMTSA-N 1 0 306.284 1.677 10 0 DDAERO CN(CCOc1ccccc1Cl)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094567872 193380976 /nfs/dbraw/zinc/38/09/76/193380976.db2.gz RBNMZOHTZOTCKV-RISCZKNCSA-N 1 0 312.797 1.684 10 0 DDAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2cc3c(cc2Cl)OCCO3)O1 ZINC000094565869 193381123 /nfs/dbraw/zinc/38/11/23/193381123.db2.gz AGYQWZDBORCNRA-LDYMZIIASA-N 1 0 312.753 1.556 10 0 DDAERO [NH3+][C@H]1COC[C@H]1C(=O)Nc1cc(Br)ccc1O ZINC000094573608 193381928 /nfs/dbraw/zinc/38/19/28/193381928.db2.gz YCGZVARJBSVVIZ-SFYZADRCSA-N 1 0 301.140 1.067 10 0 DDAERO Brc1ccc2nc(NC[C@H]3CCC[NH2+]C3)nn2c1 ZINC000094607632 193384635 /nfs/dbraw/zinc/38/46/35/193384635.db2.gz CJLZZAUVQRXKJK-VIFPVBQESA-N 1 0 310.199 1.903 10 0 DDAERO [NH3+]C[C@H]1CCCN(c2nc3c(Br)cccn3n2)C1 ZINC000094607671 193384731 /nfs/dbraw/zinc/38/47/31/193384731.db2.gz OJZARPISIZDPEU-SECBINFHSA-N 1 0 310.199 1.667 10 0 DDAERO CCc1ccsc1CNS(=O)(=O)N1CCCC[C@H]1C[NH3+] ZINC000094886904 193405409 /nfs/dbraw/zinc/40/54/09/193405409.db2.gz PBDSKHDWUPSJBI-LBPRGKRZSA-N 1 0 317.480 1.458 10 0 DDAERO Cc1cccc(CN(C)S(=O)(=O)c2ccc(C[NH3+])cc2)n1 ZINC000094913990 193405670 /nfs/dbraw/zinc/40/56/70/193405670.db2.gz JQDWTQSECXIZBL-UHFFFAOYSA-N 1 0 305.403 1.669 10 0 DDAERO CC[C@H](CC[NH3+])CNc1ccccc1S(=O)(=O)NC1CC1 ZINC000094962515 193409770 /nfs/dbraw/zinc/40/97/70/193409770.db2.gz ZFGONWJFQJJPFU-GFCCVEGCSA-N 1 0 311.451 1.914 10 0 DDAERO NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000094749124 193395205 /nfs/dbraw/zinc/39/52/05/193395205.db2.gz LFONNEZDVHNRRL-OLZOCXBDSA-N 1 0 311.407 1.180 10 0 DDAERO C[NH2+]Cc1cccc(CS(=O)(=O)NC[C@]2(C)CCCO2)c1 ZINC000094815357 193401021 /nfs/dbraw/zinc/40/10/21/193401021.db2.gz SNYONPCJQYGVHU-HNNXBMFYSA-N 1 0 312.435 1.395 10 0 DDAERO CC(C)(C)OC(=O)NC[C@@H](CC[NH3+])NC(=O)OC(C)(C)C ZINC000096102691 193538594 /nfs/dbraw/zinc/53/85/94/193538594.db2.gz YWHRETDXNPAIHE-SNVBAGLBSA-N 1 0 303.403 1.753 10 0 DDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(O)ccc1Br ZINC000282462089 217013516 /nfs/dbraw/zinc/01/35/16/217013516.db2.gz UAOGRTSCJNORAS-UFBFGSQYSA-N 1 0 313.195 1.911 10 0 DDAERO CC1CCN(C[C@H]([NH3+])c2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000019821579 182154179 /nfs/dbraw/zinc/15/41/79/182154179.db2.gz DZBUSEDTEQCAAT-AWEZNQCLSA-N 1 0 302.422 1.609 10 0 DDAERO O=S(=O)(Nc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCC[NH2+]C1 ZINC000021520633 182278649 /nfs/dbraw/zinc/27/86/49/182278649.db2.gz DITKILPOUCEOGG-VIFPVBQESA-N 1 0 320.317 1.502 10 0 DDAERO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000040598289 183108269 /nfs/dbraw/zinc/10/82/69/183108269.db2.gz CVCBZSBRZIKCOO-SECBINFHSA-N 1 0 322.352 1.724 10 0 DDAERO C[C@@H](NS(=O)(=O)N1CC[NH2+]CC1)c1cc2ccccc2o1 ZINC000040860961 183144160 /nfs/dbraw/zinc/14/41/60/183144160.db2.gz HLZQVVAUGZIPHV-LLVKDONJSA-N 1 0 309.391 1.233 10 0 DDAERO Nc1cc(N)[nH+]c(SCc2cc3c(cc2N)OCCO3)n1 ZINC000041023504 183156462 /nfs/dbraw/zinc/15/64/62/183156462.db2.gz VHNYJVPGPNSKLU-UHFFFAOYSA-N 1 0 305.363 1.287 10 0 DDAERO Nc1csc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000041068400 183162662 /nfs/dbraw/zinc/16/26/62/183162662.db2.gz LBFHQTXLOPOQCT-LBPRGKRZSA-N 1 0 315.464 1.579 10 0 DDAERO CC[NH2+]CCCN1c2cccc(Br)c2C(=O)C1=O ZINC000042410205 183265570 /nfs/dbraw/zinc/26/55/70/183265570.db2.gz KXUNDXWNNTWVDG-UHFFFAOYSA-N 1 0 311.179 1.978 10 0 DDAERO CC[C@@H](C)N(CCOC)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000042589094 183288726 /nfs/dbraw/zinc/28/87/26/183288726.db2.gz CJRIHVSJNZTTCV-CYBMUJFWSA-N 1 0 314.451 1.722 10 0 DDAERO C[NH2+]Cc1c(N(CCOC)[C@H](C)COC)nc2sccn12 ZINC000042609320 183290379 /nfs/dbraw/zinc/29/03/79/183290379.db2.gz JJRWYFBKWPQRAZ-LLVKDONJSA-N 1 0 312.439 1.603 10 0 DDAERO CC[C@H]([NH3+])[C@H](c1cccc(F)c1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000042972096 183324170 /nfs/dbraw/zinc/32/41/70/183324170.db2.gz OIZBYZBIBXQZPN-ILXRZTDVSA-N 1 0 314.426 1.723 10 0 DDAERO COc1ccc([C@H](Sc2nc(N)cc(N)n2)[C@@H](C)[NH3+])cc1 ZINC000042965235 183324596 /nfs/dbraw/zinc/32/45/96/183324596.db2.gz VCMLHZUCRCIVTP-AMIZOPFISA-N 1 0 305.407 1.830 10 0 DDAERO Cc1ccc([C@@H]([C@@H](C)[NH3+])N(C)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000043241128 183345621 /nfs/dbraw/zinc/34/56/21/183345621.db2.gz BIZKYZIVGLDGPF-NQBHXWOUSA-N 1 0 302.465 1.564 10 0 DDAERO C[C@H]([NH3+])[C@@H](Oc1cccc(S(C)(=O)=O)c1)c1cnn(C)c1 ZINC000043236502 183346037 /nfs/dbraw/zinc/34/60/37/183346037.db2.gz MCOVEHNIVINYET-IINYFYTJSA-N 1 0 309.391 1.291 10 0 DDAERO Cc1ccsc1[C@@H]([C@H](C)[NH3+])N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043248184 183346925 /nfs/dbraw/zinc/34/69/25/183346925.db2.gz JNKQFVWZCLLBME-QJPTWQEYSA-N 1 0 302.465 1.564 10 0 DDAERO C[C@H]([NH3+])[C@H](c1ccc(Br)s1)N1CCNC(=O)C1 ZINC000043258765 183347852 /nfs/dbraw/zinc/34/78/52/183347852.db2.gz DXJHNKHQGYRNSV-WRWORJQWSA-N 1 0 318.240 1.331 10 0 DDAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1Br)N(C)CC(N)=O ZINC000043091462 183336062 /nfs/dbraw/zinc/33/60/62/183336062.db2.gz LBQHXKBWNVHBPC-DGCLKSJQSA-N 1 0 314.227 1.645 10 0 DDAERO Cc1cc(C)n(CCCNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)n1 ZINC000105076664 194070860 /nfs/dbraw/zinc/07/08/60/194070860.db2.gz PXURMPTYGYSHOH-INIZCTEOSA-N 1 0 319.453 1.770 10 0 DDAERO CN1CCO[C@H](CNC(=O)NCCCCCCC[NH+](C)C)C1 ZINC000105194331 194084232 /nfs/dbraw/zinc/08/42/32/194084232.db2.gz WHJCXFNWNGYCDJ-OAHLLOKOSA-N 1 0 314.474 1.128 10 0 DDAERO CC[C@H]1CN(Cc2nc(-c3ccco3)no2)CC[N@@H+]1CCOC ZINC000105836842 194142918 /nfs/dbraw/zinc/14/29/18/194142918.db2.gz FJJVGEACJNBCIA-ZDUSSCGKSA-N 1 0 320.393 1.872 10 0 DDAERO Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)c1C ZINC000105871653 194152353 /nfs/dbraw/zinc/15/23/53/194152353.db2.gz YCRKLXFYUVMQKU-ZIAGYGMSSA-N 1 0 313.405 1.827 10 0 DDAERO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000105882526 194156144 /nfs/dbraw/zinc/15/61/44/194156144.db2.gz MGZJOBIJHALDPB-HNNXBMFYSA-N 1 0 314.389 1.977 10 0 DDAERO CC[C@H]1CN(CCC(=O)Nc2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000105902688 194166727 /nfs/dbraw/zinc/16/67/27/194166727.db2.gz PMZSGKFLYLAVRG-WBVHZDCISA-N 1 0 319.449 1.792 10 0 DDAERO CCc1nc(CN(C)C2CC[NH+](CCn3cccn3)CC2)no1 ZINC000105915784 194169970 /nfs/dbraw/zinc/16/99/70/194169970.db2.gz DVYUUCUUOMSFDH-UHFFFAOYSA-N 1 0 318.425 1.425 10 0 DDAERO C[NH+](C)C[C@@H]1CN(Cc2nc(-c3cccs3)no2)CCO1 ZINC000105926263 194170507 /nfs/dbraw/zinc/17/05/07/194170507.db2.gz CYKBFENOZRDYLU-LLVKDONJSA-N 1 0 308.407 1.561 10 0 DDAERO CCn1cnnc1C1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000105929018 194172177 /nfs/dbraw/zinc/17/21/77/194172177.db2.gz KAWRQHSPQCRKEI-UHFFFAOYSA-N 1 0 313.405 1.777 10 0 DDAERO CN(Cc1ccccc1F)C(=O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000105927768 194172181 /nfs/dbraw/zinc/17/21/81/194172181.db2.gz LMJORBTUPRMCFP-HNNXBMFYSA-N 1 0 323.412 1.047 10 0 DDAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)N(C)Cc1cccc(F)c1 ZINC000105932774 194173503 /nfs/dbraw/zinc/17/35/03/194173503.db2.gz ATUBFMWFDRMNTD-CJNGLKHVSA-N 1 0 323.412 1.093 10 0 DDAERO NC(=O)[C@H](c1cc(Br)cs1)N1CCC[NH2+]CC1 ZINC000048701893 183681326 /nfs/dbraw/zinc/68/13/26/183681326.db2.gz NHSZGTSYCNZUFV-JTQLQIEISA-N 1 0 318.240 1.332 10 0 DDAERO O=S(=O)(C[C@@H]1CCC[NH2+]C1)NCCc1ccc(Cl)cc1 ZINC000049644442 183751346 /nfs/dbraw/zinc/75/13/46/183751346.db2.gz FOYGBENQSZBVQS-CYBMUJFWSA-N 1 0 316.854 1.802 10 0 DDAERO CCCN([C@](C)(CC)C[NH3+])S(=O)(=O)CCc1ccncc1 ZINC000050093636 183772978 /nfs/dbraw/zinc/77/29/78/183772978.db2.gz YNZTWGWBPWPFJT-OAHLLOKOSA-N 1 0 313.467 1.793 10 0 DDAERO CNc1ccc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)cn1 ZINC000050671265 183797267 /nfs/dbraw/zinc/79/72/67/183797267.db2.gz YBCFFYUZVFYSDZ-UHFFFAOYSA-N 1 0 312.439 1.086 10 0 DDAERO O=S(=O)(C[C@H]1CCCC[NH2+]1)NC[C@@H]1Cc2ccccc2O1 ZINC000051087561 183813678 /nfs/dbraw/zinc/81/36/78/183813678.db2.gz NONPJRUFGROMTH-KGLIPLIRSA-N 1 0 310.419 1.052 10 0 DDAERO CCc1cc2c(ncnc2N2CCN([C@H](C)C[NH3+])CC2)s1 ZINC000109453967 194264943 /nfs/dbraw/zinc/26/49/43/194264943.db2.gz WGKROGFMGCVHCM-LLVKDONJSA-N 1 0 305.451 1.723 10 0 DDAERO CC(C)(C(N)=S)[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000109465526 194266172 /nfs/dbraw/zinc/26/61/72/194266172.db2.gz PCHWAJUEANDEFU-UHFFFAOYSA-N 1 0 309.410 1.648 10 0 DDAERO O=C(CC[C@@H]1CCCC[NH2+]1)N1CCN(c2nccs2)CC1 ZINC000050939746 183808538 /nfs/dbraw/zinc/80/85/38/183808538.db2.gz KDQSHIWPMGFGJA-ZDUSSCGKSA-N 1 0 308.451 1.714 10 0 DDAERO CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N[C@@H]2CCCOC2)cc1 ZINC000109550525 194272861 /nfs/dbraw/zinc/27/28/61/194272861.db2.gz HNXAEGJXYASZBF-TZMCWYRMSA-N 1 0 312.435 1.814 10 0 DDAERO C[C@@H](C(N)=S)[NH+]1CCN(c2nncc3ccccc32)CC1 ZINC000109471200 194267253 /nfs/dbraw/zinc/26/72/53/194267253.db2.gz KDTLQHSKZUYGIL-NSHDSACASA-N 1 0 301.419 1.426 10 0 DDAERO [NH3+]CCc1ccc(S(=O)(=O)N2CCC[C@H]2CCCO)cc1 ZINC000052763932 183871798 /nfs/dbraw/zinc/87/17/98/183871798.db2.gz CKHDBJXTXZUGRT-AWEZNQCLSA-N 1 0 312.435 1.113 10 0 DDAERO CC[N@@H+]1CCN(Cc2nc3c(cnn3C)c(Cl)n2)C[C@@H]1C ZINC000110717551 194354157 /nfs/dbraw/zinc/35/41/57/194354157.db2.gz LFWIXJXBZZKSGA-JTQLQIEISA-N 1 0 308.817 1.543 10 0 DDAERO C[N@@H+]1CCN(CC(=O)Nc2ccc(N)cc2Cl)CC1(C)C ZINC000110704345 194351268 /nfs/dbraw/zinc/35/12/68/194351268.db2.gz LGHUQRXDXRHITL-UHFFFAOYSA-N 1 0 310.829 1.887 10 0 DDAERO COc1ccc(OC)c(S(=O)(=O)N(C)[C@H]2CCC[NH2+]C2)c1 ZINC000110927833 194369899 /nfs/dbraw/zinc/36/98/99/194369899.db2.gz ZYRPHUKXZXBLOR-NSHDSACASA-N 1 0 314.407 1.076 10 0 DDAERO C[NH+](C)CCCNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000054455629 183940427 /nfs/dbraw/zinc/94/04/27/183940427.db2.gz BRXGJQCFCLKTPI-ZDUSSCGKSA-N 1 0 313.442 1.701 10 0 DDAERO CCC[NH2+][C@](C)(CCCCSCCS(C)(=O)=O)C(N)=O ZINC000111006838 194381277 /nfs/dbraw/zinc/38/12/77/194381277.db2.gz DPFWHHLIRAXTFW-CYBMUJFWSA-N 1 0 324.512 1.178 10 0 DDAERO CC[NH2+][C@H]1CCC2(C[C@H]1N(CC)CCOCC)OCCO2 ZINC000111119043 194392024 /nfs/dbraw/zinc/39/20/24/194392024.db2.gz JIPMPJKSBXIVDM-LSDHHAIUSA-N 1 0 300.443 1.619 10 0 DDAERO CN(C[C@H]1CCCOC1)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000111166991 194397892 /nfs/dbraw/zinc/39/78/92/194397892.db2.gz CWEBHJZLGSHBIZ-OAHLLOKOSA-N 1 0 312.435 1.334 10 0 DDAERO CC[NH2+][C@@](C)(CCCSc1nnc2ccccn21)C(N)=O ZINC000061408432 184170558 /nfs/dbraw/zinc/17/05/58/184170558.db2.gz QRMCMERXNJOPGB-AWEZNQCLSA-N 1 0 307.423 1.455 10 0 DDAERO CCCn1c(S[C@@H](c2ccccn2)[C@@H]([NH3+])CC)n[nH]c1=O ZINC000061594971 184176463 /nfs/dbraw/zinc/17/64/63/184176463.db2.gz RSPBQECOOFGYEG-CMPLNLGQSA-N 1 0 307.423 1.947 10 0 DDAERO CC(C)[NH+]1CCN(C(=O)[C@@H](C(N)=S)c2ccccc2)CC1 ZINC000061616188 184178585 /nfs/dbraw/zinc/17/85/85/184178585.db2.gz VJMPQNKQNJTNJA-CQSZACIVSA-N 1 0 305.447 1.609 10 0 DDAERO O=S(=O)(C[C@H]1CCC[NH2+]1)NCc1ccccc1C(F)(F)F ZINC000061627353 184179018 /nfs/dbraw/zinc/17/90/18/184179018.db2.gz KDBUZCRIEGYSGT-LLVKDONJSA-N 1 0 322.352 1.877 10 0 DDAERO C[NH+](C)C[C@H]1CCCN1CC(=O)Nc1ccc(Cl)cc1N ZINC000061641647 184180412 /nfs/dbraw/zinc/18/04/12/184180412.db2.gz PAEAGFLYQQKKGT-GFCCVEGCSA-N 1 0 310.829 1.887 10 0 DDAERO C[C@H]1CC[C@H](C(=O)N2CCN(CC(F)(F)F)CC2)C[C@@H]1[NH3+] ZINC000061950845 184198396 /nfs/dbraw/zinc/19/83/96/184198396.db2.gz ISBUOTGLHZNJCZ-SRVKXCTJSA-N 1 0 307.360 1.456 10 0 DDAERO C[C@H](c1ccccc1F)N(C)S(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000062027848 184202186 /nfs/dbraw/zinc/20/21/86/184202186.db2.gz JJOFTZWNPKFUPC-NEPJUHHUSA-N 1 0 300.399 1.900 10 0 DDAERO Cc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1N ZINC000062069414 184203931 /nfs/dbraw/zinc/20/39/31/184203931.db2.gz BZJCPMYSVXWSNX-GFCCVEGCSA-N 1 0 311.451 1.587 10 0 DDAERO C[C@H](CNS(=O)(=O)c1cc(F)ccc1N)C[NH+]1CCCC1 ZINC000062069443 184204215 /nfs/dbraw/zinc/20/42/15/184204215.db2.gz WCZDDTWWVOAARV-LLVKDONJSA-N 1 0 315.414 1.418 10 0 DDAERO CC[NH2+][C@@H](CCn1nc(C)c(Br)c1C)C(N)=O ZINC000062538400 184241594 /nfs/dbraw/zinc/24/15/94/184241594.db2.gz HJXSEQILJBVREE-VIFPVBQESA-N 1 0 303.204 1.116 10 0 DDAERO CCOC(=O)[C@H](c1cc(F)c(F)c(F)c1)N1CC[NH2+]CC1 ZINC000062718600 184250975 /nfs/dbraw/zinc/25/09/75/184250975.db2.gz XFFMCHOAZPDJCR-ZDUSSCGKSA-N 1 0 302.296 1.613 10 0 DDAERO COCC[NH2+]Cc1ccc(O[C@H](C)C(=O)N(C)C)c(Cl)c1 ZINC000062730483 184251330 /nfs/dbraw/zinc/25/13/30/184251330.db2.gz QFGYOHAPGPUBNA-LLVKDONJSA-N 1 0 314.813 1.932 10 0 DDAERO CCNC(=O)CN(C)c1cccc(Cl)c1C[NH2+]CCOC ZINC000062737474 184252098 /nfs/dbraw/zinc/25/20/98/184252098.db2.gz IMNSFYFKTFNCSW-UHFFFAOYSA-N 1 0 313.829 1.648 10 0 DDAERO Cc1ccc(S(C)(=O)=O)cc1NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062854982 184256395 /nfs/dbraw/zinc/25/63/95/184256395.db2.gz XEMYRPWRKGLXQP-OAHLLOKOSA-N 1 0 310.419 1.727 10 0 DDAERO CCC1(C(=O)N(CCOC)[C@@H]2CCSC2)CC[NH2+]CC1 ZINC000062849058 184256505 /nfs/dbraw/zinc/25/65/05/184256505.db2.gz BHYQWHCQICWUMO-CYBMUJFWSA-N 1 0 300.468 1.747 10 0 DDAERO C[NH2+]Cc1ccc(OC[C@H](C)C(N)=O)c(Br)c1 ZINC000062700953 184247535 /nfs/dbraw/zinc/24/75/35/184247535.db2.gz SDHRNFTVUPPHPV-QMMMGPOBSA-N 1 0 301.184 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COCC1(CNc2ccc(C(F)(F)F)nn2)CC[NH2+]CC1 ZINC000261748655 407599531 /nfs/dbraw/zinc/59/95/31/407599531.db2.gz SWERDYQXUZCBCB-UHFFFAOYSA-N 1 0 304.316 1.924 10 0 DDAERO COc1cccc(OCCN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000152598489 407660023 /nfs/dbraw/zinc/66/00/23/407660023.db2.gz AABZHBUMYFWRMP-LSDHHAIUSA-N 1 0 308.422 1.461 10 0 DDAERO CSC[C@](C)(O)CNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000152405399 407629524 /nfs/dbraw/zinc/62/95/24/407629524.db2.gz YFMGYPAPNLSYON-UKRRQHHQSA-N 1 0 317.499 1.520 10 0 DDAERO COC(=O)[C@@]1(C)CCCN1CC(=O)N1CCc2ccccc2C1 ZINC000186316681 407634256 /nfs/dbraw/zinc/63/42/56/407634256.db2.gz QIVWRQJGSBOHFP-GOSISDBHSA-N 1 0 316.401 1.599 10 0 DDAERO COC(=O)CCc1ccc(NC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261898993 407660492 /nfs/dbraw/zinc/66/04/92/407660492.db2.gz RLURTOZLWKLWII-UHFFFAOYSA-N 1 0 306.362 1.239 10 0 DDAERO COC[C@@H](C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)OC ZINC000227704027 407639016 /nfs/dbraw/zinc/63/90/16/407639016.db2.gz VHEFELCNDQKSQC-UONOGXRCSA-N 1 0 316.442 1.885 10 0 DDAERO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1OC ZINC000261861029 407645388 /nfs/dbraw/zinc/64/53/88/407645388.db2.gz CCFXFXRBXUYYNM-BZUAXINKSA-N 1 0 320.433 1.951 10 0 DDAERO COC(=O)c1cccc(OCc2noc([C@H]3C[C@H](F)CN3)n2)c1 ZINC000261875701 407649124 /nfs/dbraw/zinc/64/91/24/407649124.db2.gz VSYKIDQLSRLOIO-CMPLNLGQSA-N 1 0 321.308 1.808 10 0 DDAERO CCS[C@@H]1CCC[C@@H](NC(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000261737217 407595881 /nfs/dbraw/zinc/59/58/81/407595881.db2.gz KFTRFYVQUXQCAT-MGPQQGTHSA-N 1 0 300.468 1.921 10 0 DDAERO [NH3+]C1(C(=O)NCCc2nc(C(F)(F)F)cs2)CCOCC1 ZINC000261937784 407682944 /nfs/dbraw/zinc/68/29/44/407682944.db2.gz WYLGTGFHLUOOBB-UHFFFAOYSA-N 1 0 323.340 1.329 10 0 DDAERO C[C@@H](O)C1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000261963216 407692803 /nfs/dbraw/zinc/69/28/03/407692803.db2.gz YBJJJNPUQZNRCX-WBMJQRKESA-N 1 0 315.417 1.657 10 0 DDAERO C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@@H]1[NH3+] ZINC000235358140 407720172 /nfs/dbraw/zinc/72/01/72/407720172.db2.gz DEOOZMINNZBCDX-KCJUWKMLSA-N 1 0 308.325 1.673 10 0 DDAERO CC(=O)N1CCCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000171663516 407731868 /nfs/dbraw/zinc/73/18/68/407731868.db2.gz JYUVOPUSGGOCEL-QGZVFWFLSA-N 1 0 317.433 1.240 10 0 DDAERO CCc1c(C(=O)N2CCO[C@H](C[NH+](C)C)C2)[nH]c(C)c1C(C)=O ZINC000116783725 407772807 /nfs/dbraw/zinc/77/28/07/407772807.db2.gz MIVYEWSIRXPSDX-CYBMUJFWSA-N 1 0 321.421 1.491 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)CCc2ccccn2)C[C@H]1CC ZINC000116767778 407774459 /nfs/dbraw/zinc/77/44/59/407774459.db2.gz KKHFEQBKOGAQRQ-QGZVFWFLSA-N 1 0 319.449 1.974 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(F)cc2)CCO1 ZINC000116793746 407781131 /nfs/dbraw/zinc/78/11/31/407781131.db2.gz SZZHTEUUTYASPU-OAHLLOKOSA-N 1 0 324.396 1.772 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(Oc2nccc(C)n2)cc1 ZINC000262311905 407794601 /nfs/dbraw/zinc/79/46/01/407794601.db2.gz PDIMMUHZRTVNTH-CYBMUJFWSA-N 1 0 302.334 1.490 10 0 DDAERO C[C@]1(C(=O)N2CCN(C(=O)c3ccsc3)CC2)CCCC[NH2+]1 ZINC000262298508 407788096 /nfs/dbraw/zinc/78/80/96/407788096.db2.gz OGZRAAFULVUMFJ-MRXNPFEDSA-N 1 0 321.446 1.565 10 0 DDAERO CN(CCNC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000117028365 407807444 /nfs/dbraw/zinc/80/74/44/407807444.db2.gz YCDIWQVLVLOBFQ-MRXNPFEDSA-N 1 0 320.437 1.095 10 0 DDAERO COC(=O)[C@H](C)Oc1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000179550286 407807712 /nfs/dbraw/zinc/80/77/12/407807712.db2.gz IUYKCRUUYUUHKO-GOEBONIOSA-N 1 0 318.417 1.907 10 0 DDAERO CC(=O)c1ccccc1NC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000262426371 407831269 /nfs/dbraw/zinc/83/12/69/407831269.db2.gz FKXSMCRLVPHDQI-CFVMTHIKSA-N 1 0 301.390 1.497 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000262512088 407852876 /nfs/dbraw/zinc/85/28/76/407852876.db2.gz JSBPONGKAZPKHJ-SOUVJXGZSA-N 1 0 308.378 1.281 10 0 DDAERO COC(=O)C1CCC(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000180389224 407883096 /nfs/dbraw/zinc/88/30/96/407883096.db2.gz KELUWLSWXHOYLH-FJBKBRRZSA-N 1 0 322.449 1.909 10 0 DDAERO COCc1ccccc1NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000118802095 407946419 /nfs/dbraw/zinc/94/64/19/407946419.db2.gz OMZLSHQQEBKBBR-CQSZACIVSA-N 1 0 307.394 1.627 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N(C)c1nccs1 ZINC000245412424 407966466 /nfs/dbraw/zinc/96/64/66/407966466.db2.gz AODNJQIBGKYEHL-OLZOCXBDSA-N 1 0 308.451 1.665 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(=O)n2ccsc2n1 ZINC000245413713 407972413 /nfs/dbraw/zinc/97/24/13/407972413.db2.gz BSKQQCKCGSSGMX-KBPBESRZSA-N 1 0 318.446 1.815 10 0 DDAERO CC[C@H]1CN(C(=O)Cc2cccc(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000174637905 407973369 /nfs/dbraw/zinc/97/33/69/407973369.db2.gz SHFCVRLNGGDCHY-WBVHZDCISA-N 1 0 304.434 1.841 10 0 DDAERO O=C(N[C@@H]1CCCC[C@@H]1CO)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262761785 407918993 /nfs/dbraw/zinc/91/89/93/407918993.db2.gz LNRMJWVGLVBQNQ-MGPQQGTHSA-N 1 0 306.410 1.089 10 0 DDAERO C[C@@H]([NH3+])CCNS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000262774998 407924265 /nfs/dbraw/zinc/92/42/65/407924265.db2.gz NEQNOMWLUXVHRQ-SSDOTTSWSA-N 1 0 314.304 1.860 10 0 DDAERO CCCc1nc2c(cnn2C)c(N2CCC[N@H+](C)C[C@H]2C)n1 ZINC000244633573 407928180 /nfs/dbraw/zinc/92/81/80/407928180.db2.gz GFJNBQICCFWPCZ-GFCCVEGCSA-N 1 0 302.426 1.846 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCNC(=O)c1ccco1 ZINC000175032841 408033563 /nfs/dbraw/zinc/03/35/63/408033563.db2.gz MSIAYTWLFYVQQU-UONOGXRCSA-N 1 0 319.405 1.485 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCn1c(C)csc1=O ZINC000175043892 408036618 /nfs/dbraw/zinc/03/66/18/408036618.db2.gz AGPCSBBMBUBNIL-ZIAGYGMSSA-N 1 0 323.462 1.694 10 0 DDAERO CN1CC[NH2+]C[C@@H]1c1noc([C@@H](c2ccccc2)n2cccn2)n1 ZINC000263159797 408041631 /nfs/dbraw/zinc/04/16/31/408041631.db2.gz DSMCOCSZFLKWGO-HUUCEWRRSA-N 1 0 324.388 1.480 10 0 DDAERO CN1CC[NH2+]C[C@@H]1c1noc(CSC[C@@H]2CCCCO2)n1 ZINC000263168205 408044397 /nfs/dbraw/zinc/04/43/97/408044397.db2.gz FKQMFQLKXQUUMP-NWDGAFQWSA-N 1 0 312.439 1.448 10 0 DDAERO CN1CCO[C@H](C(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)C1 ZINC000154538603 408046839 /nfs/dbraw/zinc/04/68/39/408046839.db2.gz LXYGMPFAYJIDEN-IPYPFGDCSA-N 1 0 308.378 1.025 10 0 DDAERO O[C@@H](CN1CC[NH+](CC[C@H]2CCCO2)CC1)c1ccccc1 ZINC000189156988 408000730 /nfs/dbraw/zinc/00/07/30/408000730.db2.gz KWIJWADQQRAXCU-MSOLQXFVSA-N 1 0 304.434 1.907 10 0 DDAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCCN(c2cccnn2)CC1 ZINC000263009523 408001411 /nfs/dbraw/zinc/00/14/11/408001411.db2.gz PPAZBYOOVNFVMI-PBHICJAKSA-N 1 0 317.437 1.423 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1ccccc1 ZINC000174965373 408017186 /nfs/dbraw/zinc/01/71/86/408017186.db2.gz QXUSWWGQYPRWED-JKSUJKDBSA-N 1 0 315.417 1.502 10 0 DDAERO CN1CC[NH2+]C[C@H]1c1noc(CSCc2ccccn2)n1 ZINC000263223577 408064595 /nfs/dbraw/zinc/06/45/95/408064595.db2.gz MITXHMPFTXDJQS-LBPRGKRZSA-N 1 0 305.407 1.474 10 0 DDAERO CN1CC[NH2+]C[C@H]1c1noc(Cc2cnn(-c3ccccc3)c2)n1 ZINC000263247449 408074006 /nfs/dbraw/zinc/07/40/06/408074006.db2.gz PKLNMQYRKOABQP-HNNXBMFYSA-N 1 0 324.388 1.422 10 0 DDAERO Cc1cc(CNC[C@H]2C[NH2+]C[C@@H]2O)ccc1Oc1cccnc1 ZINC000263262166 408082499 /nfs/dbraw/zinc/08/24/99/408082499.db2.gz RBRQPQPIZPVTAK-RDJZCZTQSA-N 1 0 313.401 1.852 10 0 DDAERO CN1CC[NH2+]C[C@H]1c1noc(CCOc2ccc(Cl)cc2)n1 ZINC000263279447 408086400 /nfs/dbraw/zinc/08/64/00/408086400.db2.gz TZNPVFFWCIULCR-ZDUSSCGKSA-N 1 0 322.796 1.921 10 0 DDAERO COc1ccc(Cc2nc([C@@H]3C[NH2+]CCN3C)no2)cc1F ZINC000263297811 408095838 /nfs/dbraw/zinc/09/58/38/408095838.db2.gz WPBCXFSTRKJEQS-LBPRGKRZSA-N 1 0 306.341 1.384 10 0 DDAERO O=C(CN1CC[N@@H+]2CCC[C@H]2C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000245924360 408102372 /nfs/dbraw/zinc/10/23/72/408102372.db2.gz NNTCZPRSXNPJCO-OLZOCXBDSA-N 1 0 319.371 1.567 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCN1C(=O)NC2(CCCC2)C1=O ZINC000120032273 408114579 /nfs/dbraw/zinc/11/45/79/408114579.db2.gz AJGDICGYURLDAY-ZIAGYGMSSA-N 1 0 320.437 1.020 10 0 DDAERO C[C@H]([NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1)C1CCOCC1 ZINC000263502205 408159617 /nfs/dbraw/zinc/15/96/17/408159617.db2.gz LCFZIYJQNGWRJP-JQRITLKVSA-N 1 0 310.438 1.719 10 0 DDAERO Cc1ccc(F)c(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000190097742 408165272 /nfs/dbraw/zinc/16/52/72/408165272.db2.gz VHGBIFVJWZPTAH-QWHCGFSZSA-N 1 0 319.380 1.768 10 0 DDAERO CCn1nc(C)c([C@@H](C)[NH2+]CCCNS(C)(=O)=O)c1C ZINC000121259606 408174368 /nfs/dbraw/zinc/17/43/68/408174368.db2.gz GHJGIXJFKKXNGS-SNVBAGLBSA-N 1 0 302.444 1.110 10 0 DDAERO CCc1cc(=O)[nH]c(CN2CC[N@H+](C[C@@H](C)O)[C@@H](CC)C2)n1 ZINC000246402331 408246295 /nfs/dbraw/zinc/24/62/95/408246295.db2.gz BNYSDELVSNIMAZ-OCCSQVGLSA-N 1 0 308.426 1.022 10 0 DDAERO CCc1cccc(CC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000156425176 408255076 /nfs/dbraw/zinc/25/50/76/408255076.db2.gz JGBHLZCGOFUKKS-LSDHHAIUSA-N 1 0 304.434 1.705 10 0 DDAERO Cc1ccc(F)c(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000150783747 408198751 /nfs/dbraw/zinc/19/87/51/408198751.db2.gz QAEMUUQYNCMTCM-WFASDCNBSA-N 1 0 321.396 1.918 10 0 DDAERO C[C@@H]1C[N@H+](CCCCCn2cccn2)C[C@H]1N1CCOCC1 ZINC000246306913 408212615 /nfs/dbraw/zinc/21/26/15/408212615.db2.gz CFWLXGIXMBVHPP-IAGOWNOFSA-N 1 0 306.454 1.706 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1OCCc2ccccc21 ZINC000246337235 408222794 /nfs/dbraw/zinc/22/27/94/408222794.db2.gz UBYLYQYTAJRRNE-UKPHBRMFSA-N 1 0 300.402 1.996 10 0 DDAERO Cc1ccccc1NC(=O)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246365104 408235257 /nfs/dbraw/zinc/23/52/57/408235257.db2.gz IQKWWCAHPAMHPW-HIFRSBDPSA-N 1 0 303.406 1.778 10 0 DDAERO CC[C@@H]1CN([C@H](C(=O)OC)c2ccccc2)CC[N@@H+]1C[C@H](C)O ZINC000246679547 408315656 /nfs/dbraw/zinc/31/56/56/408315656.db2.gz IZCBTYGRAWXFOW-UAGQMJEPSA-N 1 0 320.433 1.678 10 0 DDAERO CC(C)[N@H+]1C[C@H](NC(=O)NCC(=O)N2CCCCC2)[C@@H](C)C1 ZINC000157953472 408321063 /nfs/dbraw/zinc/32/10/63/408321063.db2.gz SLZGEFXXJVZCGN-KBPBESRZSA-N 1 0 310.442 1.027 10 0 DDAERO Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246723112 408326142 /nfs/dbraw/zinc/32/61/42/408326142.db2.gz GOQMGFWTGBHIQS-BBRMVZONSA-N 1 0 318.465 1.912 10 0 DDAERO CC[C@@H]1CN(C(=O)COCc2ccccc2)CC[N@@H+]1C[C@H](C)O ZINC000246739646 408330166 /nfs/dbraw/zinc/33/01/66/408330166.db2.gz GBCRRKZTOCOBLN-DOTOQJQBSA-N 1 0 320.433 1.507 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC(=O)NC(C)C ZINC000246482838 408269213 /nfs/dbraw/zinc/26/92/13/408269213.db2.gz VVNANBRBZVYLFM-KBPBESRZSA-N 1 0 310.442 1.169 10 0 DDAERO CC(C)C[C@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N1CCCCC1=O ZINC000176299031 408333440 /nfs/dbraw/zinc/33/34/40/408333440.db2.gz MCENUFFWUMGCHJ-HZPDHXFCSA-N 1 0 321.465 1.720 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)CCC2CCCC2)C1 ZINC000246751337 408333949 /nfs/dbraw/zinc/33/39/49/408333949.db2.gz BKFHROPDNFZEDU-GDBMZVCRSA-N 1 0 323.481 1.918 10 0 DDAERO C[C@H](O)CN1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C[C@H]1C ZINC000246829733 408350029 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C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000248867965 288302539 /nfs/dbraw/zinc/30/25/39/288302539.db2.gz QHRATFUVNDNBFB-DTZQCDIJSA-N 1 0 307.438 1.822 10 0 DDAERO Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000127191789 281267603 /nfs/dbraw/zinc/26/76/03/281267603.db2.gz YGEOIRIXLIIINN-LLVKDONJSA-N 1 0 302.827 1.973 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCC(=O)N(C)C ZINC000245664324 288316535 /nfs/dbraw/zinc/31/65/35/288316535.db2.gz DOJIGMSBYOCFBP-KBPBESRZSA-N 1 0 310.442 1.123 10 0 DDAERO CCNC(=O)C(C)(C)CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000129513473 281347660 /nfs/dbraw/zinc/34/76/60/281347660.db2.gz LRFUBYZZYQMPRJ-QWHCGFSZSA-N 1 0 312.458 1.177 10 0 DDAERO CCn1c2ccccc2n(CC(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1=O ZINC000237194751 281614286 /nfs/dbraw/zinc/61/42/86/281614286.db2.gz WSWTUQOTMKZKKY-QWHCGFSZSA-N 1 0 316.405 1.067 10 0 DDAERO CCC(=O)N1CCC[C@H](C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)C1 ZINC000247527223 282057470 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CN(C)C(=O)c1ccc(CN2CC[C@H](Oc3ccccn3)C2)[nH]1 ZINC000362385545 307020087 /nfs/dbraw/zinc/02/00/87/307020087.db2.gz BLFMEUCCTQOCCM-AWEZNQCLSA-N 1 0 314.389 1.765 10 0 DDAERO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]CCn1cncn1 ZINC000394382249 307295525 /nfs/dbraw/zinc/29/55/25/307295525.db2.gz RHIRZYRSYSBRIB-CYBMUJFWSA-N 1 0 311.430 1.665 10 0 DDAERO CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]CCn1cncn1 ZINC000381828515 325742988 /nfs/dbraw/zinc/74/29/88/325742988.db2.gz WHSJEQKCOBZMCE-OLZOCXBDSA-N 1 0 309.414 1.561 10 0 DDAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2ccsc2Br)C1 ZINC000388440438 325771239 /nfs/dbraw/zinc/77/12/39/325771239.db2.gz SBDITBREBTWCCV-RKDXNWHRSA-N 1 0 319.224 1.504 10 0 DDAERO COc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000229594814 484167102 /nfs/dbraw/zinc/16/71/02/484167102.db2.gz FDIDGFRUCZINBR-ONGXEEELSA-N 1 0 318.826 1.767 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)C1(c2cccc(F)c2)CCCC1 ZINC000262082225 484262512 /nfs/dbraw/zinc/26/25/12/484262512.db2.gz CLVVLYFVGBMXGB-WFASDCNBSA-N 1 0 306.381 1.334 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc(F)cc(C(F)(F)F)c1 ZINC000262121605 484264046 /nfs/dbraw/zinc/26/40/46/484264046.db2.gz FYOMBUOHVGPXJO-LDYMZIIASA-N 1 0 306.259 1.155 10 0 DDAERO COc1ccc(CNC[C@H]2C[NH2+]C[C@H]2O)cc1OCC(C)C ZINC000262198048 484264861 /nfs/dbraw/zinc/26/48/61/484264861.db2.gz ZRIOYNBXVZXYQX-LSDHHAIUSA-N 1 0 308.422 1.400 10 0 DDAERO Cc1nc(-c2ccccc2)sc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262204373 484264960 /nfs/dbraw/zinc/26/49/60/484264960.db2.gz ILWHTKZSZJGRSA-OLZOCXBDSA-N 1 0 317.414 1.429 10 0 DDAERO Cc1ccccc1C1(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)CCCCC1 ZINC000262221883 484265691 /nfs/dbraw/zinc/26/56/91/484265691.db2.gz JMTNDGRNLDRHCL-NVXWUHKLSA-N 1 0 316.445 1.893 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(Oc2ccccc2)nc1 ZINC000262276261 484267250 /nfs/dbraw/zinc/26/72/50/484267250.db2.gz NLCXDBGWHGUUHO-UKRRQHHQSA-N 1 0 313.357 1.184 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc(C(F)(F)F)ccc1F ZINC000262284221 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O=c1cc(CNC[C@@H]2CCC[NH2+]C2)nc(-c2ccc(F)cc2)[nH]1 ZINC000073696185 527479475 /nfs/dbraw/zinc/47/94/75/527479475.db2.gz GOSKLIWAAMCTGY-GFCCVEGCSA-N 1 0 316.380 1.665 10 0 DDAERO C[NH+](C)CCNC(=O)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000174980421 535888057 /nfs/dbraw/zinc/88/80/57/535888057.db2.gz FKRINBTXQMORGY-STQMWFEESA-N 1 0 313.442 1.748 10 0 DDAERO C[C@@H]1CC[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)O1 ZINC000123791166 696735021 /nfs/dbraw/zinc/73/50/21/696735021.db2.gz CXBCPQLATYPPAW-CZUORRHYSA-N 1 0 303.406 1.944 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCC(=O)OCc2ccccc2)C1 ZINC000126815651 696765844 /nfs/dbraw/zinc/76/58/44/696765844.db2.gz ASKXTVLZNVTIHG-OAHLLOKOSA-N 1 0 319.405 1.513 10 0 DDAERO O=C(/C=C/c1ccc(Cl)cc1)NC[C@@H](O)CN1CCOCC1 ZINC000129104281 696784956 /nfs/dbraw/zinc/78/49/56/696784956.db2.gz FRAFMIVHDOKRIP-YFCVBGDOSA-N 1 0 324.808 1.163 10 0 DDAERO O[C@H]1C[NH2+][C@@H](c2nc(Cc3cccc(Br)c3)no2)C1 ZINC000132270739 696813587 /nfs/dbraw/zinc/81/35/87/696813587.db2.gz GAZURBMHNOKKJV-GHMZBOCLSA-N 1 0 324.178 1.818 10 0 DDAERO C[C@@H]([NH3+])CCNS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000178912577 697430794 /nfs/dbraw/zinc/43/07/94/697430794.db2.gz XZZPVIYWMJOUMO-MRVPVSSYSA-N 1 0 302.787 1.003 10 0 DDAERO CC(C)[N@H+]1C[C@H](NC(=O)C(=O)Nc2cccnc2Cl)[C@@H](C)C1 ZINC000179868681 697442624 /nfs/dbraw/zinc/44/26/24/697442624.db2.gz JVPZEJUSZYYTSX-JQWIXIFHSA-N 1 0 324.812 1.518 10 0 DDAERO C[NH+](C)C[C@H]1CN(Cn2nc(Cl)c3ccccc32)CCO1 ZINC000180370728 697448020 /nfs/dbraw/zinc/44/80/20/697448020.db2.gz AEHMMBCBGXZGQQ-LBPRGKRZSA-N 1 0 308.813 1.910 10 0 DDAERO CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(F)nc2)ncn1 ZINC000189069458 697570647 /nfs/dbraw/zinc/57/06/47/697570647.db2.gz CWJMWAOJQNSVCV-CYBMUJFWSA-N 1 0 316.384 1.811 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)CN1C(=O)N[C@](C)(C(C)(C)C)C1=O ZINC000193318321 697659112 /nfs/dbraw/zinc/65/91/12/697659112.db2.gz NEGKWCRZRPIFFJ-GUYCJALGSA-N 1 0 324.469 1.717 10 0 DDAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)CCCNC(=O)NC1CCCCC1 ZINC000193516165 697670428 /nfs/dbraw/zinc/67/04/28/697670428.db2.gz CNFJJPZKHSKBHF-UKRRQHHQSA-N 1 0 324.469 1.655 10 0 DDAERO Cc1nc(NC[C@@H]2CCCO2)c2c(n1)N[C@@H](C(C)C)C(=O)N2 ZINC000224030274 697763667 /nfs/dbraw/zinc/76/36/67/697763667.db2.gz PSSVDDFUYIPBDH-QWRGUYRKSA-N 1 0 305.382 1.765 10 0 DDAERO C[NH2+]C[C@H]1CCN(c2ncc(Br)c(OC)n2)C1 ZINC000234412842 697792181 /nfs/dbraw/zinc/79/21/81/697792181.db2.gz OSXAEIKTBCEDOM-MRVPVSSYSA-N 1 0 301.188 1.293 10 0 DDAERO C[C@@H]1CN(CC(=O)Nc2ccccc2Br)C[C@@H]1[NH3+] ZINC000235348235 697793228 /nfs/dbraw/zinc/79/32/28/697793228.db2.gz QXGVWNYHBVSCDI-KOLCDFICSA-N 1 0 312.211 1.667 10 0 DDAERO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000249701436 698396518 /nfs/dbraw/zinc/39/65/18/698396518.db2.gz IDUBBCXPTJALHY-BPLDGKMQSA-N 1 0 304.390 1.396 10 0 DDAERO O=S(=O)(c1ccc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1)C(F)F ZINC000261601223 698428359 /nfs/dbraw/zinc/42/83/59/698428359.db2.gz BRKCMZHLJIPUIX-GWCFXTLKSA-N 1 0 316.373 1.871 10 0 DDAERO FC(F)(F)c1cccnc1N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261764967 698436809 /nfs/dbraw/zinc/43/68/09/698436809.db2.gz VHFMRFGKCZEFSB-NSHDSACASA-N 1 0 300.328 1.584 10 0 DDAERO [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000262108878 698455397 /nfs/dbraw/zinc/45/53/97/698455397.db2.gz GNAUIEDGXWSCRK-TZMCWYRMSA-N 1 0 310.419 1.417 10 0 DDAERO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000262374042 698466522 /nfs/dbraw/zinc/46/65/22/698466522.db2.gz XROKOLIJASWZCJ-VNHYZAJKSA-N 1 0 306.406 1.875 10 0 DDAERO C[C@H](CC[NH2+][C@H](C)C[C@@H]1CCC(=O)N1)NC(=O)OC(C)(C)C ZINC000309861868 698668290 /nfs/dbraw/zinc/66/82/90/698668290.db2.gz DLPIHOMHDBMYTO-UPJWGTAASA-N 1 0 313.442 1.937 10 0 DDAERO Cc1cc(NCCN2CCC([NH3+])CC2)ncc1Br ZINC000321234536 698726073 /nfs/dbraw/zinc/72/60/73/698726073.db2.gz VZJPSAXGZJFRER-UHFFFAOYSA-N 1 0 313.243 1.988 10 0 DDAERO O=C(Nc1ccc(Br)nc1)[C@@H]1C[NH2+]CCOC1 ZINC000700496448 699221580 /nfs/dbraw/zinc/22/15/80/699221580.db2.gz IDMJBODLHIAKDS-MRVPVSSYSA-N 1 0 300.156 1.019 10 0 DDAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C[NH2+][C@@H]2CCSC2)C1 ZINC000702818599 699232970 /nfs/dbraw/zinc/23/29/70/699232970.db2.gz JZBKUWFNLZJRCX-TUAOUCFPSA-N 1 0 302.440 1.309 10 0 DDAERO CN1C[C@]2(C)C[NH+](C[C@H](O)COCc3ccccc3)C[C@@]2(C)C1 ZINC000705679903 699241745 /nfs/dbraw/zinc/24/17/45/699241745.db2.gz MYABIELBSLOXGJ-IPMKNSEASA-N 1 0 318.461 1.838 10 0 DDAERO CN(CCCCCC[NH3+])c1cnn(C)c(=O)c1Br ZINC000710705682 699254428 /nfs/dbraw/zinc/25/44/28/699254428.db2.gz MHADQKWSIGUTRE-UHFFFAOYSA-N 1 0 317.231 1.498 10 0 DDAERO C[C@H]([NH2+][C@@H]1COCC[C@H]1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000710920304 699255273 /nfs/dbraw/zinc/25/52/73/699255273.db2.gz XSQGWSJQJVMIEN-REWJHTLYSA-N 1 0 314.426 1.371 10 0 DDAERO [NH3+]C[C@@H]1C[C@@H](C(=O)Nc2cc(Br)ccc2F)CO1 ZINC000713822562 699267428 /nfs/dbraw/zinc/26/74/28/699267428.db2.gz QCEYTWUPIVSSJN-APPZFPTMSA-N 1 0 317.158 1.891 10 0 DDAERO CN(Cc1c(F)cccc1Cl)C(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713858043 699267676 /nfs/dbraw/zinc/26/76/76/699267676.db2.gz NQKHWVWURURWPE-ZJUUUORDSA-N 1 0 300.761 1.801 10 0 DDAERO CC(C)(C)OC(=O)NC1CC(C[NH2+][C@@H](CO)CC(F)F)C1 ZINC000717705522 699290295 /nfs/dbraw/zinc/29/02/95/699290295.db2.gz GKXVAUZCODMJRO-VQXHTEKXSA-N 1 0 308.369 1.895 10 0 DDAERO C[C@H](NS(=O)(=O)[C@H]1CCC[NH2+]C1)c1cc(F)ccc1F ZINC000722230593 699317191 /nfs/dbraw/zinc/31/71/91/699317191.db2.gz ZDLUVAWSSMZEIY-ONGXEEELSA-N 1 0 304.362 1.697 10 0 DDAERO CC(C)(C)OC(=O)N1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CO1 ZINC000722501140 699318759 /nfs/dbraw/zinc/31/87/59/699318759.db2.gz MXZYJWQDHIYEIY-UMSGYPCISA-N 1 0 312.410 1.940 10 0 DDAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1=O ZINC000722684356 699320078 /nfs/dbraw/zinc/32/00/78/699320078.db2.gz VHNQBHAKEJQMIO-KBMXLJTQSA-N 1 0 315.417 1.149 10 0 DDAERO O[C@@]1(Cc2nc(C3CC3)no2)CCC[N@H+](CCn2ccnc2)C1 ZINC000818252394 702617187 /nfs/dbraw/zinc/61/71/87/702617187.db2.gz SFRIDTBSPDGENH-MRXNPFEDSA-N 1 0 317.393 1.213 10 0 DDAERO CCn1cc([C@@H]2OCCC[C@H]2C[NH2+]Cc2cncn2C)cn1 ZINC000850301318 703721825 /nfs/dbraw/zinc/72/18/25/703721825.db2.gz GUSOPHHTKRUIIE-XJKSGUPXSA-N 1 0 303.410 1.894 10 0 DDAERO C[NH+](C)Cc1cc(O[C@H]2CCN(Cc3cocn3)C2)ccn1 ZINC000886068764 708692059 /nfs/dbraw/zinc/69/20/59/708692059.db2.gz PWVNGAQAGYVINU-INIZCTEOSA-N 1 0 302.378 1.785 10 0 DDAERO CCn1c(=O)[nH]nc1S[C@H]1CCc2ccccc2[C@H]1[NH2+]C ZINC000081879904 192334372 /nfs/dbraw/zinc/33/43/72/192334372.db2.gz VJJKWMHQTJFPMI-QWHCGFSZSA-N 1 0 304.419 1.959 10 0 DDAERO CC[NH2+][C@H]1c2ccccc2C[C@@H]1Sc1n[nH]c(=O)n1CC ZINC000081879740 192334653 /nfs/dbraw/zinc/33/46/53/192334653.db2.gz GKWIKDFDPFYVFK-STQMWFEESA-N 1 0 304.419 1.959 10 0 DDAERO COCc1cc([C@H](C)[NH2+][C@H](C)CS(C)(=O)=O)ccc1OC ZINC000081901886 192336804 /nfs/dbraw/zinc/33/68/04/192336804.db2.gz UTBASCZFGRKORN-NEPJUHHUSA-N 1 0 315.435 1.925 10 0 DDAERO C[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1ccc(-n2ccnc2)cc1 ZINC000081902236 192337112 /nfs/dbraw/zinc/33/71/12/192337112.db2.gz IUZUMQQLABEQJM-QWHCGFSZSA-N 1 0 307.419 1.956 10 0 DDAERO CCC[NH2+][C@@H]1CCOC[C@@H]1S(=O)(=O)c1ccccc1F ZINC000081922976 192339850 /nfs/dbraw/zinc/33/98/50/192339850.db2.gz VJOUTJODBPONRK-OCCSQVGLSA-N 1 0 301.383 1.757 10 0 DDAERO Nc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000078893208 185124404 /nfs/dbraw/zinc/12/44/04/185124404.db2.gz QBJBSWWUJBLRJW-SNVBAGLBSA-N 1 0 324.222 1.998 10 0 DDAERO CCC[NH2+][C@@H](CS(=O)(=O)CCOC)c1ccccc1OC ZINC000081944144 192343801 /nfs/dbraw/zinc/34/38/01/192343801.db2.gz GGYGGDLRPREMPA-AWEZNQCLSA-N 1 0 315.435 1.797 10 0 DDAERO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccn1)[C@@H]1CCCO1 ZINC000107389013 299076706 /nfs/dbraw/zinc/07/67/06/299076706.db2.gz LUONQXSHRNFQNY-HOCLYGCPSA-N 1 0 320.437 1.722 10 0 DDAERO CCC[NH2+][C@@H](c1ccccc1)[C@@H](C)S(=O)(=O)CC(=O)OC ZINC000081975725 192347451 /nfs/dbraw/zinc/34/74/51/192347451.db2.gz QDZHSLSWJULRHK-IUODEOHRSA-N 1 0 313.419 1.704 10 0 DDAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCc2c[nH]cn2)cc1 ZINC000087545698 185227860 /nfs/dbraw/zinc/22/78/60/185227860.db2.gz WAKRYVZTJJCHFA-LLVKDONJSA-N 1 0 308.407 1.211 10 0 DDAERO CCC[NH2+][C@@](C)(CCO)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000087563824 185228326 /nfs/dbraw/zinc/22/83/26/185228326.db2.gz YWNDDUMIMVGASE-HNNXBMFYSA-N 1 0 314.451 1.534 10 0 DDAERO CO[C@@H]1C[NH2+][C@H](CNCc2sccc2Br)C1 ZINC000087575958 185228787 /nfs/dbraw/zinc/22/87/87/185228787.db2.gz ZVPDVXOCQXYZDN-IUCAKERBSA-N 1 0 305.241 1.977 10 0 DDAERO Cc1nnc(SC[C@H]2COc3ccccc3O2)n1CC[NH3+] ZINC000087715345 185230920 /nfs/dbraw/zinc/23/09/20/185230920.db2.gz VLDDRZQKLQHVTC-LLVKDONJSA-N 1 0 306.391 1.477 10 0 DDAERO CO[C@H]1CCC[C@@H](Oc2nc(NN)[nH+]cc2Br)C1 ZINC000087890042 185234788 /nfs/dbraw/zinc/23/47/88/185234788.db2.gz NPGFRTVDHVZYHK-JGVFFNPUSA-N 1 0 317.187 1.861 10 0 DDAERO [NH3+]C[C@]1(Nc2ccc(Br)cc2)CCS(=O)(=O)C1 ZINC000087914914 185237400 /nfs/dbraw/zinc/23/74/00/185237400.db2.gz UDKBUBSTNBUAKK-LLVKDONJSA-N 1 0 319.224 1.377 10 0 DDAERO CC(C)OCCN(C)c1nc(NN)[nH+]cc1Br ZINC000087980081 185237506 /nfs/dbraw/zinc/23/75/06/185237506.db2.gz DYVFXHKQIGNRGX-UHFFFAOYSA-N 1 0 304.192 1.386 10 0 DDAERO [NH3+]CC[S@](=O)CC(=O)Nc1cccc(Br)c1 ZINC000088062255 185238531 /nfs/dbraw/zinc/23/85/31/185238531.db2.gz DEAAYAJHIFGCIL-MRXNPFEDSA-N 1 0 305.197 1.095 10 0 DDAERO Cc1nn(C)c(C[S@](=O)CC[C@H](C)[NH3+])c1Br ZINC000088077095 185238891 /nfs/dbraw/zinc/23/88/91/185238891.db2.gz VYLSHLGGIUXFLU-GYKQLYQFSA-N 1 0 308.245 1.477 10 0 DDAERO CNC(=O)[C@@H]1CCCN1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000156440538 539211095 /nfs/dbraw/zinc/21/10/95/539211095.db2.gz VNHVJOSWKBHHGV-KGLIPLIRSA-N 1 0 310.442 1.028 10 0 DDAERO C[NH2+][C@@H](Cc1ccccc1Br)[C@H]1COCCO1 ZINC000087857485 185233599 /nfs/dbraw/zinc/23/35/99/185233599.db2.gz YBAHAPFGJYAZDN-QWHCGFSZSA-N 1 0 300.196 1.995 10 0 DDAERO CC[NH2+][C@H]1CCC(C)(C)C[C@@H]1S(=O)(=O)CCC(=O)OC ZINC000081975412 192348027 /nfs/dbraw/zinc/34/80/27/192348027.db2.gz BILRAOJLRWJXNK-RYUDHWBXSA-N 1 0 305.440 1.521 10 0 DDAERO O=C(Nc1c(F)cc(Br)cc1F)[C@H]1C[C@H](O)C[NH2+]1 ZINC000088168592 185240770 /nfs/dbraw/zinc/24/07/70/185240770.db2.gz PPQLWBRUFYAUQJ-IMTBSYHQSA-N 1 0 321.121 1.389 10 0 DDAERO CCc1nn(C)cc1C[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000180111661 539235353 /nfs/dbraw/zinc/23/53/53/539235353.db2.gz DSPSVVRVPDZGPG-UHFFFAOYSA-N 1 0 316.453 1.424 10 0 DDAERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2c[nH]nc2C)ncn1 ZINC000180851209 539236370 /nfs/dbraw/zinc/23/63/70/539236370.db2.gz KHDYECLBVCFJRQ-DGCLKSJQSA-N 1 0 315.425 1.869 10 0 DDAERO Cc1cnn(C[C@H]2CN(CC[NH+]3CCC(C)CC3)CCO2)c1 ZINC000153830464 290654622 /nfs/dbraw/zinc/65/46/22/290654622.db2.gz QTGHBZPMSJBJBH-QGZVFWFLSA-N 1 0 306.454 1.624 10 0 DDAERO CCOC(=O)CS(=O)(=O)[C@H](CC)[C@@H]([NH2+]C)c1ccccc1 ZINC000081977326 192348470 /nfs/dbraw/zinc/34/84/70/192348470.db2.gz KVEIJROYZOGMQV-HIFRSBDPSA-N 1 0 313.419 1.704 10 0 DDAERO CNC(=O)[C@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)C(C)C ZINC000183633492 539242755 /nfs/dbraw/zinc/24/27/55/539242755.db2.gz DVISXBDFVKRKKM-BXUZGUMPSA-N 1 0 314.813 1.440 10 0 DDAERO CC[C@@H](C(N)=S)S(=O)(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000088487038 185253343 /nfs/dbraw/zinc/25/33/43/185253343.db2.gz MTTYHTLAOZOAFI-RYUDHWBXSA-N 1 0 321.512 1.235 10 0 DDAERO COC(=O)[C@@H](CC[NH+]1CCC(C(F)(F)F)CC1)NC1CC1 ZINC000088435415 185250612 /nfs/dbraw/zinc/25/06/12/185250612.db2.gz HPTVKFFIJBPBEM-GFCCVEGCSA-N 1 0 308.344 1.944 10 0 DDAERO C[C@H](CNS(=O)(=O)c1ccc(C=O)o1)C[NH+]1CCCC1 ZINC000088541596 185255661 /nfs/dbraw/zinc/25/56/61/185255661.db2.gz GJJUMNNSOUPSJF-LLVKDONJSA-N 1 0 300.380 1.102 10 0 DDAERO C[C@H]1CN(S(=O)(=O)c2ccc(C[NH2+]C(C)(C)C)o2)CCO1 ZINC000088543513 185256728 /nfs/dbraw/zinc/25/67/28/185256728.db2.gz UVZPLNAXJIMODL-NSHDSACASA-N 1 0 316.423 1.577 10 0 DDAERO C[NH2+]CCCc1nnc(-c2cccc(S(C)(=O)=O)c2)s1 ZINC000088811680 185266274 /nfs/dbraw/zinc/26/62/74/185266274.db2.gz KVPYVKSZVPKWDO-UHFFFAOYSA-N 1 0 311.432 1.761 10 0 DDAERO C[NH+](C)C1CCN(S(=O)(=O)c2cc(CO)ccc2F)CC1 ZINC000088883975 185268514 /nfs/dbraw/zinc/26/85/14/185268514.db2.gz LACSADXFQXXQNU-UHFFFAOYSA-N 1 0 316.398 1.033 10 0 DDAERO CCc1ccc([C@@H]([NH3+])C[S@](=O)CCS(C)(=O)=O)cc1 ZINC000081992629 192351664 /nfs/dbraw/zinc/35/16/64/192351664.db2.gz NKFRTCJZKMMBHJ-UGSOOPFHSA-N 1 0 303.449 1.042 10 0 DDAERO COc1ccccc1[S@@](=O)[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000082000033 192353070 /nfs/dbraw/zinc/35/30/70/192353070.db2.gz VVSLHQDCMWCTKI-QUSSIACISA-N 1 0 311.403 1.426 10 0 DDAERO COc1ccccc1[S@@](=O)[C@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000082000035 192353370 /nfs/dbraw/zinc/35/33/70/192353370.db2.gz VVSLHQDCMWCTKI-IOEWJQCESA-N 1 0 311.403 1.426 10 0 DDAERO COCc1cc(CSc2nnnn2CC[NH2+]C(C)C)no1 ZINC000090255698 185288283 /nfs/dbraw/zinc/28/82/83/185288283.db2.gz BYWHZXMSWDZDLV-UHFFFAOYSA-N 1 0 312.399 1.098 10 0 DDAERO C[C@](O)(CO)C[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000090284792 185289437 /nfs/dbraw/zinc/28/94/37/185289437.db2.gz AQIKENMNJMCSNF-GFCCVEGCSA-N 1 0 318.167 1.011 10 0 DDAERO CCCc1ccc(S(=O)(=O)N[C@@H]2[C@@H]([NH3+])C[C@@H]2OCC)cc1 ZINC000090312927 185290771 /nfs/dbraw/zinc/29/07/71/185290771.db2.gz WCCWOMCVDFNJLZ-SOUVJXGZSA-N 1 0 312.435 1.422 10 0 DDAERO CC(C)(C)c1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000090322113 185290923 /nfs/dbraw/zinc/29/09/23/185290923.db2.gz XRLJQRIPTFCVOP-CHWSQXEVSA-N 1 0 308.447 1.824 10 0 DDAERO CCN(C(C)=O)c1nc(CN2C[C@@H]3C[NH2+]C[C@@H]3[C@@H]2C)cs1 ZINC000090326884 185291402 /nfs/dbraw/zinc/29/14/02/185291402.db2.gz RTIZEZFXKFHZGN-VHRBIJSZSA-N 1 0 308.451 1.556 10 0 DDAERO Cc1cc(C)cc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2(C)C)c1 ZINC000090337032 185291816 /nfs/dbraw/zinc/29/18/16/185291816.db2.gz NBLMWRZMEZVEMH-HIFRSBDPSA-N 1 0 308.447 1.922 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1C1=NS(=O)(=O)c2ccccc21 ZINC000090338861 185291942 /nfs/dbraw/zinc/29/19/42/185291942.db2.gz HSIMGTWMLLBZLQ-ZYHUDNBSSA-N 1 0 305.403 1.065 10 0 DDAERO [NH3+][C@@H]1COC[C@H]1C(=O)Nc1ccc(F)cc1Br ZINC000090379126 185293574 /nfs/dbraw/zinc/29/35/74/185293574.db2.gz XHRYKSKKXOGCLM-VXNVDRBHSA-N 1 0 303.131 1.500 10 0 DDAERO [NH3+][C@H]1COC[C@@H]1C(=O)Nc1ccc(Br)cc1F ZINC000090378625 185293733 /nfs/dbraw/zinc/29/37/33/185293733.db2.gz DNNPIRRBLQIVTR-CBAPKCEASA-N 1 0 303.131 1.500 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccccc1OC(F)(F)F ZINC000090431645 185295872 /nfs/dbraw/zinc/29/58/72/185295872.db2.gz FWUGBEPZROPFGE-SCZZXKLOSA-N 1 0 304.268 1.758 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000090431546 185296038 /nfs/dbraw/zinc/29/60/38/185296038.db2.gz HSJTVIAAPGBJIP-VXGBXAGGSA-N 1 0 302.296 1.556 10 0 DDAERO C[C@@]1(C(=O)Nc2ccc3c(c2)NC(=O)CS3)COC[C@@H]1[NH3+] ZINC000090587934 185305165 /nfs/dbraw/zinc/30/51/65/185305165.db2.gz MZEYLWSPLRKFGQ-SMDDNHRTSA-N 1 0 307.375 1.033 10 0 DDAERO C[C@@]1(C(=O)NCc2ccccc2C(F)(F)F)COC[C@@H]1[NH3+] ZINC000090603531 185306121 /nfs/dbraw/zinc/30/61/21/185306121.db2.gz NUDPMBGFBOMGGE-WCQYABFASA-N 1 0 302.296 1.685 10 0 DDAERO C[C@@]1(CN2CCN(c3cccc(Cl)c3)CC2)COC[C@H]1[NH3+] ZINC000090606419 185306383 /nfs/dbraw/zinc/30/63/83/185306383.db2.gz DLVMOIVLQQJJPF-HZPDHXFCSA-N 1 0 309.841 1.826 10 0 DDAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccsc1C(=O)OC ZINC000090543428 185302024 /nfs/dbraw/zinc/30/20/24/185302024.db2.gz PNXVIJIMEHSUJR-MWLCHTKSSA-N 1 0 312.391 1.488 10 0 DDAERO Cn1nccc1C1CCN(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000092331417 185312780 /nfs/dbraw/zinc/31/27/80/185312780.db2.gz QYOBTAIUUBXUMP-HUUCEWRRSA-N 1 0 319.453 1.792 10 0 DDAERO COCC[NH2+]CC(=O)N[C@@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000092495293 185322333 /nfs/dbraw/zinc/32/23/33/185322333.db2.gz DSMZCWFMWAURIU-MNOVXSKESA-N 1 0 312.332 1.229 10 0 DDAERO CCC[C@@H](C(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1)[NH+](C)C ZINC000154753162 290678216 /nfs/dbraw/zinc/67/82/16/290678216.db2.gz RLLCVPINDIQKLF-CVEARBPZSA-N 1 0 322.453 1.458 10 0 DDAERO CN(C[C@@H]1CCC[N@@H+]1C)c1nc(Cl)nc(-n2cccn2)n1 ZINC000092665146 185332511 /nfs/dbraw/zinc/33/25/11/185332511.db2.gz 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CN[C@]1(C(=O)OC)CC[C@H]([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000093831936 193314570 /nfs/dbraw/zinc/31/45/70/193314570.db2.gz AZUHZLQWHNCEAZ-WCQYABFASA-N 1 0 308.344 1.944 10 0 DDAERO CC[NH2+][C@@]1(C(N)=O)CC[C@@H](Sc2nnc3ccccn32)C1 ZINC000093852816 193319091 /nfs/dbraw/zinc/31/90/91/193319091.db2.gz TZPIHPBHYXNJMT-YGRLFVJLSA-N 1 0 305.407 1.208 10 0 DDAERO CCCN(CC(C)(C)C[NH3+])S(=O)(=O)c1cncc(F)c1 ZINC000093878249 193322646 /nfs/dbraw/zinc/32/26/46/193322646.db2.gz DDHLUYZYEGXKGF-UHFFFAOYSA-N 1 0 303.403 1.606 10 0 DDAERO CN(CC1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)c(F)c1F ZINC000094023793 193339277 /nfs/dbraw/zinc/33/92/77/193339277.db2.gz UHQDBOIIDWMWKR-UHFFFAOYSA-N 1 0 322.352 1.724 10 0 DDAERO CC(C)(C)[NH2+]Cc1c(SC[C@@H](O)CO)nc2sccn12 ZINC000093960699 193332398 /nfs/dbraw/zinc/33/23/98/193332398.db2.gz PYOYVORVRLZGHG-VIFPVBQESA-N 1 0 315.464 1.729 10 0 DDAERO CC[NH2+][C@H]1[C@@H](N2CCN(S(C)(=O)=O)CC2)CCCC1(C)C ZINC000094275426 193356173 /nfs/dbraw/zinc/35/61/73/193356173.db2.gz MXXMWPOUNUPKKP-KBPBESRZSA-N 1 0 317.499 1.120 10 0 DDAERO COc1ccc([C@@H]([NH3+])[C@H](C)N(C)CCS(C)(=O)=O)cc1 ZINC000094298053 193356892 /nfs/dbraw/zinc/35/68/92/193356892.db2.gz FEPDXCNCYHQPIR-FZMZJTMJSA-N 1 0 300.424 1.060 10 0 DDAERO CC[C@H]([NH3+])[C@H](c1ccc(OC)cc1)N(C)CCS(C)(=O)=O ZINC000094297184 193357051 /nfs/dbraw/zinc/35/70/51/193357051.db2.gz ZUBIVJWQIWVHCG-GJZGRUSLSA-N 1 0 314.451 1.450 10 0 DDAERO CCCOc1ccc([C@H]([NH3+])CN(C)CCS(C)(=O)=O)cc1 ZINC000094298267 193357869 /nfs/dbraw/zinc/35/78/69/193357869.db2.gz FNSNFZXBLHGYCC-OAHLLOKOSA-N 1 0 314.451 1.452 10 0 DDAERO CC1(C)CC[C@H](S(=O)(=O)c2ccc3c(c2)OCCO3)[C@H]1[NH3+] ZINC000094311227 193358284 /nfs/dbraw/zinc/35/82/84/193358284.db2.gz FHPYJTYILFGIHZ-UONOGXRCSA-N 1 0 311.403 1.747 10 0 DDAERO Cc1cc(C)c(C[NH2+]C2CC2)c(N(C)CCS(C)(=O)=O)n1 ZINC000094300776 193358932 /nfs/dbraw/zinc/35/89/32/193358932.db2.gz LJJKFHPMEWMRPE-UHFFFAOYSA-N 1 0 311.451 1.431 10 0 DDAERO CCC[NH2+][C@@H]1[C@H](CN(C)[C@@H]2CCS(=O)(=O)C2)CCC1(C)C 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ZINC000094607187 193384907 /nfs/dbraw/zinc/38/49/07/193384907.db2.gz URMQEZNJRJBFTJ-VXGBXAGGSA-N 1 0 307.785 1.658 10 0 DDAERO NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000094749127 193395566 /nfs/dbraw/zinc/39/55/66/193395566.db2.gz LFONNEZDVHNRRL-QWHCGFSZSA-N 1 0 311.407 1.180 10 0 DDAERO Cc1cc(F)c(N)cc1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000094779278 193396562 /nfs/dbraw/zinc/39/65/62/193396562.db2.gz SVAUDXRLIAZBBC-UHFFFAOYSA-N 1 0 315.414 1.431 10 0 DDAERO Cc1nn(C)c(C[C@@H]([NH3+])[C@]2(C)CCCO2)c1Br ZINC000094782830 193397697 /nfs/dbraw/zinc/39/76/97/193397697.db2.gz HBARKMYZWNGXBK-PWSUYJOCSA-N 1 0 302.216 1.930 10 0 DDAERO C[C@@]1(CNS(=O)(=O)c2cc(C[NH3+])n(C3CC3)c2)CCCO1 ZINC000094815139 193399892 /nfs/dbraw/zinc/39/98/92/193399892.db2.gz UGEYDTZIZKPRDX-AWEZNQCLSA-N 1 0 313.423 1.129 10 0 DDAERO O=C(NC[C@@H]1OC[C@H]2C[N@H+](Cc3ccoc3)CC[C@@H]12)C1CC1 ZINC000096185295 193564595 /nfs/dbraw/zinc/56/45/95/193564595.db2.gz NEMZYYHUOMGSAH-OAGGEKHMSA-N 1 0 304.390 1.643 10 0 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305.422 1.083 10 0 DDAERO COc1cccc(CN2CCO[C@H](Cn3cc(C)cn3)C2)n1 ZINC000171828961 407774697 /nfs/dbraw/zinc/77/46/97/407774697.db2.gz IRIHUOKUHKNJGI-HNNXBMFYSA-N 1 0 302.378 1.496 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)CCCOc2ccc(F)cc2)CCO1 ZINC000116783995 407774943 /nfs/dbraw/zinc/77/49/43/407774943.db2.gz PIKKPJSKIGLZLT-INIZCTEOSA-N 1 0 324.396 1.774 10 0 DDAERO CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)C1(C[NH3+])CCOCC1 ZINC000262279004 407781383 /nfs/dbraw/zinc/78/13/83/407781383.db2.gz NSKZJIDWQAQNSB-KGLIPLIRSA-N 1 0 312.454 1.699 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)CCn2cnc3ccccc32)CCO1 ZINC000116788190 407777289 /nfs/dbraw/zinc/77/72/89/407777289.db2.gz MHPSOCYAIKCQRA-CQSZACIVSA-N 1 0 316.405 1.215 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000262266736 407777942 /nfs/dbraw/zinc/77/79/42/407777942.db2.gz JXWXRJVJVAEPFK-MRXNPFEDSA-N 1 0 306.406 1.416 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)C[C@H]2OCCc3ccccc32)CCO1 ZINC000116797092 407779877 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408141406 /nfs/dbraw/zinc/14/14/06/408141406.db2.gz ACTYJEAJUIQJJN-GJZGRUSLSA-N 1 0 323.485 1.604 10 0 DDAERO CCc1oc(C(=O)OC)cc1CN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000246134043 408149827 /nfs/dbraw/zinc/14/98/27/408149827.db2.gz FSYFZVPQOIIHGJ-QWHCGFSZSA-N 1 0 324.421 1.516 10 0 DDAERO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000246146909 408153335 /nfs/dbraw/zinc/15/33/35/408153335.db2.gz YSNQRCCXCNBWGW-KBPBESRZSA-N 1 0 319.453 1.707 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000182430507 408156732 /nfs/dbraw/zinc/15/67/32/408156732.db2.gz QHOCQHFSBRITRQ-GXTWGEPZSA-N 1 0 323.437 1.548 10 0 DDAERO Cc1ccc([C@@H](C)NC(=O)NCCN2CCC([NH+](C)C)CC2)o1 ZINC000175547157 408157905 /nfs/dbraw/zinc/15/79/05/408157905.db2.gz VAKJDIIROPYISG-CQSZACIVSA-N 1 0 322.453 1.974 10 0 DDAERO C[S@](=O)c1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000175713891 408186824 /nfs/dbraw/zinc/18/68/24/408186824.db2.gz JMAHVMSQXVNWLK-PEBXRYMYSA-N 1 0 321.446 1.414 10 0 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CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C2CC(C(N)=O)C2)C1 ZINC000714243422 699269775 /nfs/dbraw/zinc/26/97/75/699269775.db2.gz RPRNLUOJYDHFJB-HIFPTAJRSA-N 1 0 311.426 1.487 10 0 DDAERO C[NH+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3cc[nH]n3)C2)ccn1 ZINC000886094945 708697282 /nfs/dbraw/zinc/69/72/82/708697282.db2.gz IJIXKYAONAAQRN-CQSZACIVSA-N 1 0 315.377 1.160 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N=c1nc(C)[nH]n1CC ZINC000888530545 709333337 /nfs/dbraw/zinc/33/33/37/709333337.db2.gz GURAOTMPKMQOFE-OLZOCXBDSA-N 1 0 306.414 1.119 10 0 DDAERO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)C1 ZINC000907563819 712595874 /nfs/dbraw/zinc/59/58/74/712595874.db2.gz ITUCNTANLAYJPN-HUUCEWRRSA-N 1 0 319.453 1.347 10 0 DDAERO CCN1CCC[C@@H]([NH2+][C@H](C)CS(=O)(=O)c2ccccc2)C1 ZINC000248533504 282089244 /nfs/dbraw/zinc/08/92/44/282089244.db2.gz ZFGKUSFFQIWMFJ-HUUCEWRRSA-N 1 0 310.463 1.923 10 0 DDAERO CC[NH2+][C@H]1CCOC[C@@H]1Sc1nnnn1-c1ccccc1 ZINC000081869226 192332565 /nfs/dbraw/zinc/33/25/65/192332565.db2.gz LDGJUKFUJHRNFE-STQMWFEESA-N 1 0 305.407 1.521 10 0 DDAERO COC(=O)c1ccnc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000248835991 282110671 /nfs/dbraw/zinc/11/06/71/282110671.db2.gz OFHVMAXVRNVATI-YPMHNXCESA-N 1 0 318.377 1.569 10 0 DDAERO COc1ccc([C@@H]([NH3+])CSc2nnc(C)n2C)c(OC)c1 ZINC000081886355 192334291 /nfs/dbraw/zinc/33/42/91/192334291.db2.gz KMWHJXOKUDXVCH-LBPRGKRZSA-N 1 0 308.407 1.933 10 0 DDAERO COC(=O)C[C@@H]([NH2+][C@H](C)CS(C)(=O)=O)c1cccs1 ZINC000081900053 192334951 /nfs/dbraw/zinc/33/49/51/192334951.db2.gz OJWWSFIIYKIYFF-NXEZZACHSA-N 1 0 305.421 1.375 10 0 DDAERO [NH3+][C@@H]1CCOC[C@H]1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000081922622 192340396 /nfs/dbraw/zinc/34/03/96/192340396.db2.gz KEGQYJQZEHMONX-MWLCHTKSSA-N 1 0 310.202 1.883 10 0 DDAERO CNS(=O)(=O)c1ccc(NC(=O)CC[C@H](C)CC[NH3+])cc1 ZINC000079117734 185159252 /nfs/dbraw/zinc/15/92/52/185159252.db2.gz RKZVKSQNBUMDHA-NSHDSACASA-N 1 0 313.423 1.298 10 0 DDAERO CCCCN(C(=O)CC[C@H](C)CC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000079118294 185159261 /nfs/dbraw/zinc/15/92/61/185159261.db2.gz BVAGLBUOJQVSBG-UONOGXRCSA-N 1 0 318.483 1.567 10 0 DDAERO COCCOCCCNC(=O)CC[C@@H](CC[NH3+])C(C)(C)C ZINC000079292140 185163807 /nfs/dbraw/zinc/16/38/07/185163807.db2.gz MZENLRSWMREXPB-AWEZNQCLSA-N 1 0 302.459 1.947 10 0 DDAERO COCCN(C(=O)CC[C@H](CC[NH3+])C(C)C)[C@@H](C)COC ZINC000079278187 185162950 /nfs/dbraw/zinc/16/29/50/185162950.db2.gz SGQRJRAWWMXZIJ-LSDHHAIUSA-N 1 0 302.459 1.898 10 0 DDAERO COCCCN(CCOC)C(=O)CC[C@H](CC[NH3+])C(C)C ZINC000079277175 185163121 /nfs/dbraw/zinc/16/31/21/185163121.db2.gz FWUJHLYZHNWMDR-OAHLLOKOSA-N 1 0 302.459 1.899 10 0 DDAERO CC[NH2+][C@H](CCSc1ccc(Br)cn1)C(N)=O ZINC000079447706 185171947 /nfs/dbraw/zinc/17/19/47/185171947.db2.gz REHCMCHZJKXXCE-SECBINFHSA-N 1 0 318.240 1.790 10 0 DDAERO [NH3+][C@H](Cc1sccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000083185037 185216958 /nfs/dbraw/zinc/21/69/58/185216958.db2.gz TWURTCYKNCJFOM-VXNVDRBHSA-N 1 0 324.265 1.815 10 0 DDAERO CCn1cnnc1C1CC[NH+]([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000328645456 231282693 /nfs/dbraw/zinc/28/26/93/231282693.db2.gz GWZFYADHIKRKFJ-CQSZACIVSA-N 1 0 303.410 1.241 10 0 DDAERO COC[C@@H](C)C(=O)N(Cc1cncnc1)[C@@H]1CCC[NH2+]CC1 ZINC000328646889 231283422 /nfs/dbraw/zinc/28/34/22/231283422.db2.gz SVRMOAQJVLIWEH-UKRRQHHQSA-N 1 0 306.410 1.230 10 0 DDAERO CC(C)[NH2+]Cc1nnc(-n2cc(Br)cn2)s1 ZINC000087698575 185230741 /nfs/dbraw/zinc/23/07/41/185230741.db2.gz QDIDSDRGNSBMEL-UHFFFAOYSA-N 1 0 302.201 1.984 10 0 DDAERO Cc1nnc(SCC(=O)NC2CCCCCC2)n1CC[NH3+] ZINC000087711537 185230905 /nfs/dbraw/zinc/23/09/05/185230905.db2.gz OZTXGSQRJJTNOO-UHFFFAOYSA-N 1 0 311.455 1.476 10 0 DDAERO Cc1nnc(SCC(=O)N2C[C@H](C)C[C@H](C)C2)n1CC[NH3+] ZINC000087715307 185230921 /nfs/dbraw/zinc/23/09/21/185230921.db2.gz JTDMYXGBJFAJBM-PHIMTYICSA-N 1 0 311.455 1.142 10 0 DDAERO [NH3+]C[C@H](c1ccc(Br)cc1)N1CCCNC(=O)C1 ZINC000087883377 185234527 /nfs/dbraw/zinc/23/45/27/185234527.db2.gz CLFZESBWXSWPPB-GFCCVEGCSA-N 1 0 312.211 1.271 10 0 DDAERO CC[NH2+][C@@H]1c2ccccc2CC[C@H]1S(=O)(=O)CC(=O)OC ZINC000081976593 192347757 /nfs/dbraw/zinc/34/77/57/192347757.db2.gz OYUVSNBYTULABC-UKRRQHHQSA-N 1 0 311.403 1.240 10 0 DDAERO NNc1nc(OCC2CCOCC2)c(Br)c[nH+]1 ZINC000087889193 185234714 /nfs/dbraw/zinc/23/47/14/185234714.db2.gz XSZJZWJHVKGLFR-UHFFFAOYSA-N 1 0 303.160 1.330 10 0 DDAERO CNC(=O)[C@H]1CCCN1C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000155970258 539210256 /nfs/dbraw/zinc/21/02/56/539210256.db2.gz HKQMDSRFOSLXNQ-HUUCEWRRSA-N 1 0 324.469 1.419 10 0 DDAERO [NH3+]CCC[S@](=O)Cc1ccc(I)cc1 ZINC000088066618 185238573 /nfs/dbraw/zinc/23/85/73/185238573.db2.gz WQKLGCHKUOUJGP-CQSZACIVSA-N 1 0 323.199 1.889 10 0 DDAERO CS(=O)(=O)NCC[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816153 185232687 /nfs/dbraw/zinc/23/26/87/185232687.db2.gz IVPOTVNHUGUYLB-CQSZACIVSA-N 1 0 307.419 1.684 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCN(C(C)C)C1=O ZINC000157668929 539215125 /nfs/dbraw/zinc/21/51/25/539215125.db2.gz VFAPKMJKIAPMQI-CABCVRRESA-N 1 0 324.469 1.415 10 0 DDAERO Nc1nc2ccc(C(=O)N[C@@H]3C[NH+]4CCC3CC4)cc2s1 ZINC000087847149 185233307 /nfs/dbraw/zinc/23/33/07/185233307.db2.gz VPABXAQVSOGZEM-GFCCVEGCSA-N 1 0 302.403 1.703 10 0 DDAERO NNc1nc(N[C@@H]2CCCC[C@@H]2O)c(Br)c[nH+]1 ZINC000087869367 185234074 /nfs/dbraw/zinc/23/40/74/185234074.db2.gz IFZUJSMQFBESGM-SFYZADRCSA-N 1 0 302.176 1.240 10 0 DDAERO CCOC(=O)CS(=O)(=O)[C@@H](C)[C@@H]([NH3+])c1ccc(OC)cc1 ZINC000081977616 192348008 /nfs/dbraw/zinc/34/80/08/192348008.db2.gz LWSOCYBMIZEMBO-IINYFYTJSA-N 1 0 315.391 1.061 10 0 DDAERO CC1(C)C[C@@H](NC(=O)NC[C@H](O)C[NH+]2CCCCC2)CCO1 ZINC000178798083 539232850 /nfs/dbraw/zinc/23/28/50/539232850.db2.gz GZCSXVUEVQVCMN-KBPBESRZSA-N 1 0 313.442 1.090 10 0 DDAERO CC(C)([NH2+]C[C@H](O)CN1CCCC1=O)c1ccc(F)c(F)c1 ZINC000180868118 539236441 /nfs/dbraw/zinc/23/64/41/539236441.db2.gz QYJBWJWSIDNIPY-LBPRGKRZSA-N 1 0 312.360 1.773 10 0 DDAERO C[C@@H]([NH2+]CC(=O)NCC1CCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000182198477 539239142 /nfs/dbraw/zinc/23/91/42/539239142.db2.gz MNAMRGRDSCIRMT-GFCCVEGCSA-N 1 0 324.446 1.657 10 0 DDAERO CC[C@@H](C[NH3+])S(=O)(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000088472160 185252272 /nfs/dbraw/zinc/25/22/72/185252272.db2.gz VQSKSHVRYNZPTA-QMMMGPOBSA-N 1 0 308.306 1.487 10 0 DDAERO CN(CCC(F)(F)F)S(=O)(=O)c1ccc(C[NH3+])s1 ZINC000088432989 185249847 /nfs/dbraw/zinc/24/98/47/185249847.db2.gz POYLCGYRIYGHLH-UHFFFAOYSA-N 1 0 302.343 1.780 10 0 DDAERO CCN(CC(F)(F)F)S(=O)(=O)c1ccc(C[NH2+]C)o1 ZINC000088544057 185256871 /nfs/dbraw/zinc/25/68/71/185256871.db2.gz PTPNADRPZNBMKA-UHFFFAOYSA-N 1 0 300.302 1.572 10 0 DDAERO CCC(CC)N(CCOC)S(=O)(=O)c1ccc(C[NH2+]C)o1 ZINC000088544400 185256562 /nfs/dbraw/zinc/25/65/62/185256562.db2.gz WSANITUETRUULM-UHFFFAOYSA-N 1 0 318.439 1.825 10 0 DDAERO CCN1CN(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)CC1=O ZINC000190054460 539254779 /nfs/dbraw/zinc/25/47/79/539254779.db2.gz HQVMQWQPNCUAHI-AWEZNQCLSA-N 1 0 318.421 1.338 10 0 DDAERO C[NH2+][C@H](C)c1ccc(OC)c(CS(=O)(=O)CCCOC)c1 ZINC000081985138 192348874 /nfs/dbraw/zinc/34/88/74/192348874.db2.gz DPUNKXONYAGIFF-GFCCVEGCSA-N 1 0 315.435 1.927 10 0 DDAERO C[NH2+][C@@H](Cc1ncnn1C)Cc1cccc(Br)c1 ZINC000088581822 185258546 /nfs/dbraw/zinc/25/85/46/185258546.db2.gz RYGLUKFGFNPDAL-GFCCVEGCSA-N 1 0 309.211 1.951 10 0 DDAERO Nc1c2nccnc2sc1C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000088639553 185260430 /nfs/dbraw/zinc/26/04/30/185260430.db2.gz ZDRIDWYMAZLAJW-VIFPVBQESA-N 1 0 303.391 1.098 10 0 DDAERO Cc1nn(C)c2sc(C(=O)NCC(C)(C)[NH+](C)C)c(N)c12 ZINC000088642359 185261001 /nfs/dbraw/zinc/26/10/01/185261001.db2.gz YPIXGKGTGWTZNA-UHFFFAOYSA-N 1 0 309.439 1.595 10 0 DDAERO C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1=O)c1ccc(Br)s1 ZINC000088774669 185265272 /nfs/dbraw/zinc/26/52/72/185265272.db2.gz OYRZMHLUBBZPKL-RQJHMYQMSA-N 1 0 317.208 1.919 10 0 DDAERO O=C([C@H]1CCCN1Cc1ccncc1Cl)N1CC[NH2+]CC1 ZINC000088782489 185265703 /nfs/dbraw/zinc/26/57/03/185265703.db2.gz BGVAEMNPGPAYDQ-CQSZACIVSA-N 1 0 308.813 1.131 10 0 DDAERO C[C@@H]1C[C@@H](NC(=O)NC[C@H](O)C[NH+]2CCCCC2)C[C@H](C)O1 ZINC000245502450 539268437 /nfs/dbraw/zinc/26/84/37/539268437.db2.gz FVXYNJZAXPFMKB-XGUBFFRZSA-N 1 0 313.442 1.088 10 0 DDAERO CC[C@H](NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CCCO1 ZINC000245693421 539268691 /nfs/dbraw/zinc/26/86/91/539268691.db2.gz UYKLEAPJFPEXHA-ILXRZTDVSA-N 1 0 313.442 1.090 10 0 DDAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCOC3(CCOCC3)C2)C1 ZINC000091767357 282218487 /nfs/dbraw/zinc/21/84/87/282218487.db2.gz CUVPTLGOQUJGQW-UONOGXRCSA-N 1 0 311.426 1.060 10 0 DDAERO [NH3+][C@H]1CCC2(C[C@H]1S(=O)(=O)CC1CCCC1)OCCO2 ZINC000081991462 192351504 /nfs/dbraw/zinc/35/15/04/192351504.db2.gz NSUNWMLJQWQUCQ-QWHCGFSZSA-N 1 0 303.424 1.214 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NC(=O)c1ccccc1Br ZINC000090311533 185290412 /nfs/dbraw/zinc/29/04/12/185290412.db2.gz BMBZXSKAUCISTO-UTUOFQBUSA-N 1 0 313.195 1.684 10 0 DDAERO CCc1ccc([C@@H](C[S@@](=O)CCS(C)(=O)=O)[NH2+]C)cc1 ZINC000081993119 192352625 /nfs/dbraw/zinc/35/26/25/192352625.db2.gz XKGJYRSNYQSTKI-AUUYWEPGSA-N 1 0 317.476 1.303 10 0 DDAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1cc(F)cc(F)c1 ZINC000090325884 185291050 /nfs/dbraw/zinc/29/10/50/185291050.db2.gz FWXNVRWCDAYACI-JRKPZEMJSA-N 1 0 302.346 1.193 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1cc(F)ccc1F ZINC000090336823 185291783 /nfs/dbraw/zinc/29/17/83/185291783.db2.gz DZACFGXHUXBIOR-KOLCDFICSA-N 1 0 316.373 1.583 10 0 DDAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1sccc1C(=O)OCC ZINC000090491396 185299093 /nfs/dbraw/zinc/29/90/93/185299093.db2.gz FTGXIWHWQSULFI-GHMZBOCLSA-N 1 0 312.391 1.488 10 0 DDAERO [NH3+][C@H]1COC[C@H]1C(=O)Nc1c(F)cc(F)cc1Br ZINC000090379216 185293413 /nfs/dbraw/zinc/29/34/13/185293413.db2.gz HGOBZUGPDCYZMU-MUWHJKNJSA-N 1 0 321.121 1.640 10 0 DDAERO [NH3+][C@@H]1COC[C@H]1C(=O)Nc1ccc(Br)cc1F ZINC000090378626 185293449 /nfs/dbraw/zinc/29/34/49/185293449.db2.gz DNNPIRRBLQIVTR-VXNVDRBHSA-N 1 0 303.131 1.500 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(C)cc1Br ZINC000090431415 185295879 /nfs/dbraw/zinc/29/58/79/185295879.db2.gz GORWCSKJHFLZQE-JOYOIKCWSA-N 1 0 313.195 1.930 10 0 DDAERO CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1S(=O)(=O)CC(=O)OC ZINC000082009966 192353832 /nfs/dbraw/zinc/35/38/32/192353832.db2.gz DZLRKBRNTGKQPU-AGIUHOORSA-N 1 0 305.440 1.377 10 0 DDAERO CCC[NH2+][C@H]1COC[C@@H]1CN1CCN(CC(F)(F)F)CC1 ZINC000090566831 185304145 /nfs/dbraw/zinc/30/41/45/185304145.db2.gz KEIZHJZJOZZVEK-STQMWFEESA-N 1 0 309.376 1.181 10 0 DDAERO C[C@@]1(C(=O)Nc2ccc(Br)cc2F)COC[C@@H]1[NH3+] ZINC000090580514 185304891 /nfs/dbraw/zinc/30/48/91/185304891.db2.gz DDTVMRZNKOGOCL-CMPLNLGQSA-N 1 0 317.158 1.891 10 0 DDAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C1 ZINC000092323672 185312274 /nfs/dbraw/zinc/31/22/74/185312274.db2.gz SKFUBWDPOACIIZ-LUYZLQTOSA-N 1 0 303.406 1.427 10 0 DDAERO O=C1c2ccccc2C(=O)N1CC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000306685160 539293932 /nfs/dbraw/zinc/29/39/32/539293932.db2.gz ISQHWASXIZBOEK-BFHYXJOUSA-N 1 0 314.385 1.375 10 0 DDAERO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(F)cc1N ZINC000092622129 185329783 /nfs/dbraw/zinc/32/97/83/185329783.db2.gz LKPQLTBDRSJGLM-LLVKDONJSA-N 1 0 301.387 1.123 10 0 DDAERO CCn1cnc(S(=O)(=O)N2CCC[C@@H](C[NH2+]C3CC3)C2)c1 ZINC000092910939 185348520 /nfs/dbraw/zinc/34/85/20/185348520.db2.gz WGEMPWNYPWBHKV-LBPRGKRZSA-N 1 0 312.439 1.056 10 0 DDAERO CSc1nsc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1 ZINC000092928052 185349682 /nfs/dbraw/zinc/34/96/82/185349682.db2.gz FXPKPXMFEKZPHS-DTWKUNHWSA-N 1 0 313.452 1.960 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C\SCc2ccco2)C[C@@H]1C ZINC000255862873 282281723 /nfs/dbraw/zinc/28/17/23/282281723.db2.gz XTQMPSHUNIBYIQ-UXCCSRGFSA-N 1 0 324.446 1.940 10 0 DDAERO CN(C)c1cccc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C(F)(F)F)n1 ZINC000299745020 529792840 /nfs/dbraw/zinc/79/28/40/529792840.db2.gz QTFLLRZJKPBJNG-NXEZZACHSA-N 1 0 316.327 1.826 10 0 DDAERO NC(=O)c1ccsc1NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111246082 185563639 /nfs/dbraw/zinc/56/36/39/185563639.db2.gz KPFSZDIGEKVSNA-SNVBAGLBSA-N 1 0 307.297 1.328 10 0 DDAERO Cc1cc(NC(=O)[C@H]2C[NH2+]C[C@H]2C)ccc1NS(C)(=O)=O ZINC000111266469 185568116 /nfs/dbraw/zinc/56/81/16/185568116.db2.gz XPZJUSGFGOBHBZ-PWSUYJOCSA-N 1 0 311.407 1.161 10 0 DDAERO CCCOc1ccc(S(=O)(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000229593638 201842058 /nfs/dbraw/zinc/84/20/58/201842058.db2.gz FQPAAMJNQILYQA-DOMZBBRYSA-N 1 0 312.435 1.894 10 0 DDAERO CNS(=O)(=O)c1ccccc1N[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000111378787 185590505 /nfs/dbraw/zinc/59/05/05/185590505.db2.gz NESLREFCPHNQFK-WFASDCNBSA-N 1 0 311.451 1.914 10 0 DDAERO Cc1nn(C)c(Sc2ncnc3[nH]cnc32)c1C[C@@H](C)[NH3+] ZINC000111585144 185614769 /nfs/dbraw/zinc/61/47/69/185614769.db2.gz RBFDEFGATFZULP-SSDOTTSWSA-N 1 0 303.395 1.436 10 0 DDAERO Cc1nn(-c2ccccc2)c(Sc2nc[nH]n2)c1CC[NH3+] ZINC000111580151 185615178 /nfs/dbraw/zinc/61/51/78/185615178.db2.gz KNPBWZRDDCDCKM-UHFFFAOYSA-N 1 0 300.391 1.951 10 0 DDAERO CC[NH2+]C[C@H]1CCCN(S(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000111719300 185630926 /nfs/dbraw/zinc/63/09/26/185630926.db2.gz ABYRKMHIDPQUAY-CYBMUJFWSA-N 1 0 314.455 1.047 10 0 DDAERO [NH3+]C1CCC(OCCCNS(=O)(=O)c2ccccc2)CC1 ZINC000111792056 185636923 /nfs/dbraw/zinc/63/69/23/185636923.db2.gz YRBCPEDKJJEMDT-UHFFFAOYSA-N 1 0 312.435 1.642 10 0 DDAERO C[C@H]1CC[C@@H](n2nnc(C[NH3+])c2I)C1 ZINC000675051953 539562714 /nfs/dbraw/zinc/56/27/14/539562714.db2.gz YIWROCSWZXMWSX-NKWVEPMBSA-N 1 0 306.151 1.703 10 0 DDAERO Cc1ccnc(N)c1C1=C[C@H]([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000675077720 539562952 /nfs/dbraw/zinc/56/29/52/539562952.db2.gz HPQUDNUFJHAVRK-LBPRGKRZSA-N 1 0 304.394 1.934 10 0 DDAERO C[C@@H]1CCC[C@H](C[NH3+])N1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000070153691 190863482 /nfs/dbraw/zinc/86/34/82/190863482.db2.gz WAVHCZDVGAHNFQ-GHMZBOCLSA-N 1 0 308.407 1.453 10 0 DDAERO C[C@@H]1CCC[C@](C[NH3+])(Nc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000071391595 190966182 /nfs/dbraw/zinc/96/61/82/190966182.db2.gz NXPXGOIPZUGSBQ-YGRLFVJLSA-N 1 0 315.414 1.793 10 0 DDAERO COc1cccc(N(CCC[NH3+])S(=O)(=O)CC(C)C)c1 ZINC000083805425 192383859 /nfs/dbraw/zinc/38/38/59/192383859.db2.gz ZLJZGICEIINSHI-UHFFFAOYSA-N 1 0 300.424 1.836 10 0 DDAERO CS(=O)(=O)c1ccc([S@](=O)CCC[NH2+]C2CC2)cc1 ZINC000084055898 192397695 /nfs/dbraw/zinc/39/76/95/192397695.db2.gz SGTLNQPUPIEKPY-SFHVURJKSA-N 1 0 301.433 1.340 10 0 DDAERO C[NH2+][C@@](C)(C[C@H](C)n1nc(C)c(Br)c1C)C(N)=O ZINC000084364658 192425615 /nfs/dbraw/zinc/42/56/15/192425615.db2.gz KOOVUQCSNXQKGO-MADCSZMMSA-N 1 0 317.231 1.677 10 0 DDAERO [NH3+]C[C@H]1c2cc(Cl)ccc2CN1CCCN1CCOCC1 ZINC000071683209 191007763 /nfs/dbraw/zinc/00/77/63/191007763.db2.gz WPFUQYUMIGMKTA-INIZCTEOSA-N 1 0 309.841 1.878 10 0 DDAERO Nc1ccc(Br)cc1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000071697966 191008629 /nfs/dbraw/zinc/00/86/29/191008629.db2.gz ZOEZOIIUFLBWHP-CQSZACIVSA-N 1 0 324.222 1.857 10 0 DDAERO COCC[N@@H+]1CCN(Cc2cc(C(=O)OC)ccc2F)C[C@H]1C ZINC000181924169 186220060 /nfs/dbraw/zinc/22/00/60/186220060.db2.gz ACQZHBRSPIXDPJ-CYBMUJFWSA-N 1 0 324.396 1.765 10 0 DDAERO Oc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2O)c1Br ZINC000623767497 366046016 /nfs/dbraw/zinc/04/60/16/366046016.db2.gz XBJOZPTUOCDUSW-KOLCDFICSA-N 1 0 302.168 1.394 10 0 DDAERO Oc1cccc(C[NH2+][C@H]2CCOC[C@@H]2O)c1Br ZINC000623767499 366046059 /nfs/dbraw/zinc/04/60/59/366046059.db2.gz XBJOZPTUOCDUSW-ONGXEEELSA-N 1 0 302.168 1.394 10 0 DDAERO CC[C@H]1CN(C(=O)NCc2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000173272830 198204066 /nfs/dbraw/zinc/20/40/66/198204066.db2.gz PHJBSNFJPUIXJT-ZBFHGGJFSA-N 1 0 305.422 1.673 10 0 DDAERO CNc1cc(N2CCC[C@@H]2CNC(=O)COCC2CC2)ncn1 ZINC000173435993 198214914 /nfs/dbraw/zinc/21/49/14/198214914.db2.gz BYLOLHYMWNBOEL-CYBMUJFWSA-N 1 0 319.409 1.030 10 0 DDAERO Cc1ccc(C)c(CC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000174305675 198317048 /nfs/dbraw/zinc/31/70/48/198317048.db2.gz LRPDHCZSPUCSSK-HZPDHXFCSA-N 1 0 304.434 1.759 10 0 DDAERO CC[C@@H]1CN(C(=O)Cc2cccc(F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000174620055 198360671 /nfs/dbraw/zinc/36/06/71/198360671.db2.gz KUGIXRCIILHUTF-CZUORRHYSA-N 1 0 308.397 1.672 10 0 DDAERO CC[C@H]1CN(C(=O)Cc2ccccc2F)CC[N@@H+]1C[C@@H](C)O ZINC000174640080 198363584 /nfs/dbraw/zinc/36/35/84/198363584.db2.gz KDEQFNRNTNTNPL-HIFRSBDPSA-N 1 0 308.397 1.672 10 0 DDAERO OCC[NH2+][C@H]1CCCN(c2cccc(Br)n2)CC1 ZINC000117777121 353996135 /nfs/dbraw/zinc/99/61/35/353996135.db2.gz AHPDBHKNEUYPAO-NSHDSACASA-N 1 0 314.227 1.785 10 0 DDAERO C[NH+](C)C[C@@H](NC(=O)COC[C@@H]1CCCO1)c1ccccc1 ZINC000126309383 354052915 /nfs/dbraw/zinc/05/29/15/354052915.db2.gz DDKHMRULQUDZAF-JKSUJKDBSA-N 1 0 306.406 1.601 10 0 DDAERO C[C@H]([NH3+])C[C@H](C)Nc1ncc(I)cn1 ZINC000126423011 354055801 /nfs/dbraw/zinc/05/58/01/354055801.db2.gz IISNFWMNNWGEPE-BQBZGAKWSA-N 1 0 306.151 1.619 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(Cc2ccc(C(=O)OC)cc2F)CC1 ZINC000135614417 354115387 /nfs/dbraw/zinc/11/53/87/354115387.db2.gz MOLVYAKOSMQSEG-OAHLLOKOSA-N 1 0 324.396 1.501 10 0 DDAERO CN1CCN(c2ncc(Cl)cc2Br)[C@H](C[NH3+])C1 ZINC000159679419 354235154 /nfs/dbraw/zinc/23/51/54/354235154.db2.gz MVHXXEISCYLLMS-SECBINFHSA-N 1 0 319.634 1.577 10 0 DDAERO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N(C)[C@@H]2CCC[NH2+]CC2)C1 ZINC000226463718 354319931 /nfs/dbraw/zinc/31/99/31/354319931.db2.gz BAVBPBQMFPVMBA-MGPQQGTHSA-N 1 0 303.472 1.283 10 0 DDAERO CN1CCN(c2ncc(C(F)(F)F)cc2Cl)[C@@H](C[NH3+])C1 ZINC000226621466 354320409 /nfs/dbraw/zinc/32/04/09/354320409.db2.gz NZSATIKATPPOAG-VIFPVBQESA-N 1 0 308.735 1.833 10 0 DDAERO Cc1nnc([C@H](C)N(C)C[C@@H]2C[C@H](F)CN2c2cccnn2)o1 ZINC000328645640 354558233 /nfs/dbraw/zinc/55/82/33/354558233.db2.gz SEOOPFQZXNNCGY-DRZSPHRISA-N 1 0 320.372 1.778 10 0 DDAERO Cn1cnnc1[C@@H]1CN(Cc2ccc3ncccc3c2)CCO1 ZINC000328645636 354558272 /nfs/dbraw/zinc/55/82/72/354558272.db2.gz SEOASYIYBKFVDI-INIZCTEOSA-N 1 0 309.373 1.937 10 0 DDAERO CCN(Cc1nnc(C)o1)[C@@H]1C[N@H+](C[C@H]2CC=CCC2)C[C@H]1O ZINC000328652697 354559018 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CC[NH2+][C@H](C)CC(=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081134551 192228917 /nfs/dbraw/zinc/22/89/17/192228917.db2.gz MFQXBYSGOUHBIO-MRVPVSSYSA-N 1 0 305.304 1.027 10 0 DDAERO CCC(CC)[C@H](C[NH3+])N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081532320 192284800 /nfs/dbraw/zinc/28/48/00/192284800.db2.gz DYKDMTSPQBCKHP-JTQLQIEISA-N 1 0 305.348 1.876 10 0 DDAERO C[C@H]1CC[C@H]([NH3+])[C@H](N2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC000081533447 192285475 /nfs/dbraw/zinc/28/54/75/192285475.db2.gz JQBZJTBVVSNABM-LPEHRKFASA-N 1 0 303.332 1.628 10 0 DDAERO COC(=O)c1cnc([C@@H](C)[NH2+]CC2(O)CCSCC2)s1 ZINC000595550439 356545475 /nfs/dbraw/zinc/54/54/75/356545475.db2.gz QFBJAJUYORTEJU-SECBINFHSA-N 1 0 316.448 1.838 10 0 DDAERO CC(C)(C[NH3+])N1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000081604338 192300439 /nfs/dbraw/zinc/30/04/39/192300439.db2.gz OGPOZZCBIGMSHU-UHFFFAOYSA-N 1 0 303.332 1.355 10 0 DDAERO Ic1cncnc1OC[C@@H]1CCCC[NH2+]1 ZINC000085467943 192509677 /nfs/dbraw/zinc/50/96/77/192509677.db2.gz HWPNUFPIQDWLJH-QMMMGPOBSA-N 1 0 319.146 1.602 10 0 DDAERO CN(Cc1cc(Br)cs1)C(=O)[C@@]1([NH3+])CCOC1 ZINC000085877475 192538711 /nfs/dbraw/zinc/53/87/11/192538711.db2.gz SGOIXGURZSNWMI-LLVKDONJSA-N 1 0 319.224 1.587 10 0 DDAERO [NH3+]CCCN(C(=O)[C@@H]1CCS(=O)(=O)C1)C1CCCCCC1 ZINC000086018244 192544348 /nfs/dbraw/zinc/54/43/48/192544348.db2.gz ZXQPBEDLUMSTEH-CYBMUJFWSA-N 1 0 316.467 1.321 10 0 DDAERO CN(CCN1CC[NH2+]CC1)c1nc(Br)cs1 ZINC000086290771 192559274 /nfs/dbraw/zinc/55/92/74/192559274.db2.gz PAMCUIYZVVDIRW-UHFFFAOYSA-N 1 0 305.245 1.247 10 0 DDAERO COCC[S@@](=O)Cc1cccc(NC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000237122545 202158462 /nfs/dbraw/zinc/15/84/62/202158462.db2.gz FELUYLWTIHNSLW-SPLOXXLWSA-N 1 0 310.419 1.272 10 0 DDAERO CN(Cc1ccccc1)C(=O)NCCC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000237127720 202161206 /nfs/dbraw/zinc/16/12/06/202161206.db2.gz XIHSVJVPAIBPDY-OAHLLOKOSA-N 1 0 318.421 1.072 10 0 DDAERO CCC[NH2+]CCc1cc(OC)ccc1S(=O)(=O)N(C)C ZINC000088927206 192659232 /nfs/dbraw/zinc/65/92/32/192659232.db2.gz TXHJQWDANIJURJ-UHFFFAOYSA-N 1 0 300.424 1.488 10 0 DDAERO CCC[NH2+]C[C@@H]1CCCN(S(=O)(=O)N(CC)C(C)C)C1 ZINC000088941751 192663594 /nfs/dbraw/zinc/66/35/94/192663594.db2.gz LLXVPILWDNBNIT-AWEZNQCLSA-N 1 0 305.488 1.673 10 0 DDAERO CC[NH2+]C[C@@H]1CCCCN1S(=O)(=O)NC1CCCCC1 ZINC000088974887 192677114 /nfs/dbraw/zinc/67/71/14/192677114.db2.gz KQSZOUDBIPNBET-AWEZNQCLSA-N 1 0 303.472 1.618 10 0 DDAERO CC[C@@H]1CO[C@@H](C)CN1S(=O)(=O)c1ccsc1C[NH2+]C ZINC000088991138 192684071 /nfs/dbraw/zinc/68/40/71/192684071.db2.gz KIMDBQSCBNHIRL-WDEREUQCSA-N 1 0 318.464 1.656 10 0 DDAERO NC(=O)CN1c2ccccc2[C@@]2(CCN(c3cc[nH+]cc3)C2)C1=O ZINC000077299785 283289425 /nfs/dbraw/zinc/28/94/25/283289425.db2.gz ZGXGZGIJOJACRB-SFHVURJKSA-N 1 0 322.368 1.062 10 0 DDAERO CCn1nc(C)c(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1C ZINC000179516020 199048386 /nfs/dbraw/zinc/04/83/86/199048386.db2.gz UPLPJILPWKSLDZ-CQSZACIVSA-N 1 0 323.441 1.488 10 0 DDAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(-n2cncn2)cc1 ZINC000180491034 199165956 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192811678 /nfs/dbraw/zinc/81/16/78/192811678.db2.gz UWXWWNGFZPXMPF-OLZOCXBDSA-N 1 0 311.451 1.772 10 0 DDAERO NS(=O)(=O)c1ccc(OC[C@@H]2CCC[C@@H]2C[NH3+])c(F)c1 ZINC000089538941 192812806 /nfs/dbraw/zinc/81/28/06/192812806.db2.gz JSAVTFWLQPFWSR-ZJUUUORDSA-N 1 0 302.371 1.227 10 0 DDAERO C[NH+](C)Cc1cccc(NC(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000186770992 200007189 /nfs/dbraw/zinc/00/71/89/200007189.db2.gz LQZFPBLPIJTRLR-UHFFFAOYSA-N 1 0 316.405 1.491 10 0 DDAERO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCC(=O)N2C)N1CCOCC1 ZINC000187110388 200063179 /nfs/dbraw/zinc/06/31/79/200063179.db2.gz QFTHNLNIEFJMFR-AWEZNQCLSA-N 1 0 317.433 1.406 10 0 DDAERO C[C@H](CC(=O)N1CCO[C@H](c2cnn(C)c2)C1)[C@@H]1CCC[NH2+]C1 ZINC000237577227 202290634 /nfs/dbraw/zinc/29/06/34/202290634.db2.gz PZQKJNOXSHJKIO-FMKPAKJESA-N 1 0 320.437 1.346 10 0 DDAERO OC[C@@H]1C[N@H+](Cc2cn3cccnc3n2)C[C@H]1c1ccsc1 ZINC000188084196 200191346 /nfs/dbraw/zinc/19/13/46/200191346.db2.gz HOYAUFZJPSSPPY-ZFWWWQNUSA-N 1 0 314.414 1.999 10 0 DDAERO 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YYYWBAIPZTWTAT-SNVBAGLBSA-N 1 0 312.753 1.444 10 0 DDAERO CCC[NH2+]Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1C(F)F ZINC000091337304 193042838 /nfs/dbraw/zinc/04/28/38/193042838.db2.gz JRKGKEUYYITBHQ-CYBMUJFWSA-N 1 0 321.393 1.854 10 0 DDAERO CC[C@@](C)([C@H]([NH3+])Cc1c(Cl)c(C)nn1C)N1CCOCC1 ZINC000091611685 193079480 /nfs/dbraw/zinc/07/94/80/193079480.db2.gz CFZXNRCQKUNCKF-HIFRSBDPSA-N 1 0 314.861 1.753 10 0 DDAERO COCC[N@H+](C)CCNc1nc(Cl)ncc1Br ZINC000091658985 193086244 /nfs/dbraw/zinc/08/62/44/193086244.db2.gz LAKGQNKXFYBHRF-UHFFFAOYSA-N 1 0 323.622 1.883 10 0 DDAERO CCC(CC)(C(N)=S)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091670975 193088994 /nfs/dbraw/zinc/08/89/94/193088994.db2.gz SZNLIGFKRPYOFZ-VXGBXAGGSA-N 1 0 313.467 1.058 10 0 DDAERO O=C1N(Cc2ccc(Br)s2)C[C@@H]2C[NH2+]CCN12 ZINC000091751097 193101962 /nfs/dbraw/zinc/10/19/62/193101962.db2.gz NKOGUMIAYDJRQI-QMMMGPOBSA-N 1 0 316.224 1.720 10 0 DDAERO CCNS(=O)(=O)c1ccccc1N(C)C1CCC([NH3+])CC1 ZINC000091849492 193117556 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CC(C)c1nc(N2CC[C@H](N3CCOCC3)C2)sc1C[NH3+] ZINC000093000318 193192258 /nfs/dbraw/zinc/19/22/58/193192258.db2.gz YEGVMMYFCOIRJV-LBPRGKRZSA-N 1 0 310.467 1.636 10 0 DDAERO Cc1ccc(F)cc1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261958334 203161359 /nfs/dbraw/zinc/16/13/59/203161359.db2.gz PEXWJJWTDGSSDL-KGLIPLIRSA-N 1 0 302.353 1.809 10 0 DDAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC(C)(C)c2nccs2)cn1 ZINC000262137230 203209257 /nfs/dbraw/zinc/20/92/57/203209257.db2.gz GXKBJAFGUWVKRQ-NEPJUHHUSA-N 1 0 319.434 1.231 10 0 DDAERO COCC[NH2+]C[C@H](c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000093126414 193206193 /nfs/dbraw/zinc/20/61/93/193206193.db2.gz IZULKCIEZLNKTQ-JKSUJKDBSA-N 1 0 311.447 1.749 10 0 DDAERO C[C@H]1C[C@@H](C(=O)NCc2cccnc2OCC(F)F)CC[NH2+]1 ZINC000262435184 203293836 /nfs/dbraw/zinc/29/38/36/203293836.db2.gz XATJVGKZNXKFPD-QWRGUYRKSA-N 1 0 313.348 1.730 10 0 DDAERO O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)C1CC[NH2+]CC1 ZINC000262584894 203339715 /nfs/dbraw/zinc/33/97/15/203339715.db2.gz 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Cc1cc(N)cc(C)c1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000093648374 193283455 /nfs/dbraw/zinc/28/34/55/193283455.db2.gz INXNVWOIOPCUJY-UHFFFAOYSA-N 1 0 311.451 1.600 10 0 DDAERO CCN(C1(C[NH3+])CCC(C)CC1)S(=O)(=O)CCOC(C)C ZINC000093664791 193286671 /nfs/dbraw/zinc/28/66/71/193286671.db2.gz AGUYHRQJQUNCKL-UHFFFAOYSA-N 1 0 320.499 1.971 10 0 DDAERO CC(C)OCCS(=O)(=O)N[C@H](C(N)=[NH2+])C1CCCCC1 ZINC000093667821 193287029 /nfs/dbraw/zinc/28/70/29/193287029.db2.gz CDOSYUKYZZBWTF-LBPRGKRZSA-N 1 0 305.444 1.216 10 0 DDAERO CC(C)OCCS(=O)(=O)N1CCCC[C@@H]1C[NH2+]C(C)(C)C ZINC000093667759 193287148 /nfs/dbraw/zinc/28/71/48/193287148.db2.gz CFNJQTJSJOJFKE-CQSZACIVSA-N 1 0 320.499 1.984 10 0 DDAERO Cc1cc(CS(=O)(=O)NC2C(C)(C)C([NH3+])C2(C)C)no1 ZINC000094006549 193338181 /nfs/dbraw/zinc/33/81/81/193338181.db2.gz GHVDMAJYSUHSPJ-UHFFFAOYSA-N 1 0 301.412 1.164 10 0 DDAERO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1c(F)cc(F)cc1F ZINC000093873785 193322073 /nfs/dbraw/zinc/32/20/73/193322073.db2.gz LFSPTGLULSYALD-UHFFFAOYSA-N 1 0 310.341 1.709 10 0 DDAERO C[NH2+][C@H](c1ccccc1)[C@H](C(C)C)N(C)CCS(C)(=O)=O ZINC000094298120 193357404 /nfs/dbraw/zinc/35/74/04/193357404.db2.gz PZSYJYCQXKAVGZ-CVEARBPZSA-N 1 0 312.479 1.948 10 0 DDAERO CC[NH2+][C@H]1c2ccccc2CC[C@@H]1N(C)CCS(C)(=O)=O ZINC000094298100 193357815 /nfs/dbraw/zinc/35/78/15/193357815.db2.gz SWFXXJANVZISIN-HOTGVXAUSA-N 1 0 310.463 1.628 10 0 DDAERO C[NH2+][C@@H](CCN(C)CCS(C)(=O)=O)c1ccc(F)cc1 ZINC000094300385 193357903 /nfs/dbraw/zinc/35/79/03/193357903.db2.gz ZJKRDZJGBBMGRS-AWEZNQCLSA-N 1 0 302.415 1.453 10 0 DDAERO CCc1ccc([C@@H]([NH2+]C)[C@@H](C)N(C)CCS(C)(=O)=O)cc1 ZINC000094298554 193357943 /nfs/dbraw/zinc/35/79/43/193357943.db2.gz FGRQAMKUVDCOCJ-CJNGLKHVSA-N 1 0 312.479 1.874 10 0 DDAERO CC(C)[NH2+]CC1(CN(C)CCS(C)(=O)=O)CCCCC1 ZINC000094300224 193358095 /nfs/dbraw/zinc/35/80/95/193358095.db2.gz ZHZATPNDQBLOEE-UHFFFAOYSA-N 1 0 304.500 1.911 10 0 DDAERO CC(C)[NH2+]Cc1nc(CN(C)CCS(C)(=O)=O)cs1 ZINC000094300902 193359035 /nfs/dbraw/zinc/35/90/35/193359035.db2.gz DYDIYPVYUIAXAW-UHFFFAOYSA-N 1 0 305.469 1.118 10 0 DDAERO CN(CC(C)(C)C[NH3+])c1nc(C(F)(F)F)ccc1C(N)=O ZINC000094337586 193360897 /nfs/dbraw/zinc/36/08/97/193360897.db2.gz LFOMWUQGXNQJJO-UHFFFAOYSA-N 1 0 304.316 1.620 10 0 DDAERO COC1CCN(c2nc(C(F)(F)F)ccc2C(N)=[NH2+])CC1 ZINC000094336660 193361156 /nfs/dbraw/zinc/36/11/56/193361156.db2.gz JMSTWZAPEORKPS-UHFFFAOYSA-N 1 0 302.300 2.000 10 0 DDAERO C[C@@H](Oc1c(F)cc(C[NH3+])cc1F)C(=O)N1CCOCC1 ZINC000094345941 193363609 /nfs/dbraw/zinc/36/36/09/193363609.db2.gz IJWYCTHOLOFCLP-SECBINFHSA-N 1 0 300.305 1.050 10 0 DDAERO CC[NH+]1CCC(NS(=O)(=O)c2cc(C)cc(N)c2C)CC1 ZINC000094358456 193364201 /nfs/dbraw/zinc/36/42/01/193364201.db2.gz DLSSKTJRWIEDFX-UHFFFAOYSA-N 1 0 311.451 1.648 10 0 DDAERO CCC[NH2+]Cc1ccc(OCCCS(=O)(=O)CC)cn1 ZINC000094210093 193349697 /nfs/dbraw/zinc/34/96/97/193349697.db2.gz VWWLUSHDSAZRMZ-UHFFFAOYSA-N 1 0 300.424 1.785 10 0 DDAERO CS(=O)(=O)[C@H]1CCC[C@H]([N@H+](CCC(N)=S)C2CC2)C1 ZINC000094636608 193387109 /nfs/dbraw/zinc/38/71/09/193387109.db2.gz QRKLXJPHMRQOLR-RYUDHWBXSA-N 1 0 304.481 1.483 10 0 DDAERO Cc1cc(Cl)c(S(=O)(=O)NCCCC[NH+](C)C)cc1N ZINC000094638845 193387638 /nfs/dbraw/zinc/38/76/38/193387638.db2.gz PSDGJLNHSVTKMS-UHFFFAOYSA-N 1 0 319.858 1.851 10 0 DDAERO C[C@H]([NH3+])Cc1ccc(O[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cn1 ZINC000094643255 193388771 /nfs/dbraw/zinc/38/87/71/193388771.db2.gz DLTWEVJYIZDTJM-LNSITVRQSA-N 1 0 312.435 1.706 10 0 DDAERO CS(=O)(=O)[C@H]1CCC[C@H]([N@H+](CCO)C2CCCCC2)C1 ZINC000094643680 193389566 /nfs/dbraw/zinc/38/95/66/193389566.db2.gz CBXWBXQGGNJVCZ-GJZGRUSLSA-N 1 0 303.468 1.969 10 0 DDAERO CC(C)[NH2+]C[C@H](Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000094688051 193391198 /nfs/dbraw/zinc/39/11/98/193391198.db2.gz WPEZUHXMIZFGDK-GJZGRUSLSA-N 1 0 311.447 1.984 10 0 DDAERO CCC[NH2+]C[C@H](Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000094688041 193391491 /nfs/dbraw/zinc/39/14/91/193391491.db2.gz VSWZSIABBFYGTJ-CABCVRRESA-N 1 0 311.447 1.985 10 0 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CO[C@H]1C[NH2+][C@H](C(=O)NCc2ccccc2Br)C1 ZINC000042419474 183267550 /nfs/dbraw/zinc/26/75/50/183267550.db2.gz BDAZPWBNWYEIKW-PWSUYJOCSA-N 1 0 313.195 1.442 10 0 DDAERO CC[NH2+][C@H](C)c1cccc(S(=O)(=O)N(CCO)C(C)C)c1 ZINC000042481063 183275210 /nfs/dbraw/zinc/27/52/10/183275210.db2.gz IIHXRNFNWOKZDL-CYBMUJFWSA-N 1 0 314.451 1.749 10 0 DDAERO CCOC(=O)CN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000042552038 183283880 /nfs/dbraw/zinc/28/38/80/183283880.db2.gz ZKDAZGCAWYLIRT-LLVKDONJSA-N 1 0 314.407 1.280 10 0 DDAERO CC[C@H](C)[N@H+](CCOC)CCC(=O)N(C)CCC(N)=S ZINC000042583188 183286536 /nfs/dbraw/zinc/28/65/36/183286536.db2.gz IGSBMPZKSRYABO-LBPRGKRZSA-N 1 0 303.472 1.258 10 0 DDAERO CC[C@@H](C)N(CCOC)S(=O)(=O)c1ccc(C[NH3+])s1 ZINC000042594167 183289752 /nfs/dbraw/zinc/28/97/52/183289752.db2.gz DUVDWQKATIIMRQ-SNVBAGLBSA-N 1 0 306.453 1.642 10 0 DDAERO [NH3+]Cc1ccccc1S(=O)(=O)NCCOc1ccccc1 ZINC000042896941 183317585 /nfs/dbraw/zinc/31/75/85/183317585.db2.gz ORINSRYRRQLIES-UHFFFAOYSA-N 1 0 306.387 1.503 10 0 DDAERO CC[C@H]([NH3+])[C@H](c1ccccc1F)N1CCS(=O)(=O)CC1 ZINC000043043803 183332058 /nfs/dbraw/zinc/33/20/58/183332058.db2.gz BDFFRQBDTLUVFH-KBPBESRZSA-N 1 0 300.399 1.335 10 0 DDAERO CC[C@H]([NH3+])[C@H](c1ccccc1C)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043035767 183332238 /nfs/dbraw/zinc/33/22/38/183332238.db2.gz OMRVLERSDCEYOG-KBMXLJTQSA-N 1 0 310.463 1.892 10 0 DDAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Cl)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043051703 183332518 /nfs/dbraw/zinc/33/25/18/183332518.db2.gz ADFKYQWJSIETRV-GYSYKLTISA-N 1 0 316.854 1.847 10 0 DDAERO CC[C@H]([NH3+])[C@H](c1ccccc1Cl)N1CCS(=O)(=O)CC1 ZINC000043051550 183332670 /nfs/dbraw/zinc/33/26/70/183332670.db2.gz HFTFNSXKUYZMBV-KBPBESRZSA-N 1 0 316.854 1.849 10 0 DDAERO CC[C@H]([NH3+])[C@@H](c1sccc1C)N1CCS(=O)(=O)CC1 ZINC000043248040 183347217 /nfs/dbraw/zinc/34/72/17/183347217.db2.gz WUZSSSHAKOFCBS-RYUDHWBXSA-N 1 0 302.465 1.565 10 0 DDAERO COc1cc([C@H]([NH3+])[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000043299803 183351670 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CC[C@H]1CN(Cc2nc3ccccc3n2C)CC[N@@H+]1C[C@@H](C)O ZINC000105827895 194138213 /nfs/dbraw/zinc/13/82/13/194138213.db2.gz FRUKUYSSNDEBQC-CABCVRRESA-N 1 0 316.449 1.850 10 0 DDAERO CCOC(=O)CCC[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000105801807 194132793 /nfs/dbraw/zinc/13/27/93/194132793.db2.gz GLCKQJZVLOSCNP-UHFFFAOYSA-N 1 0 306.410 1.640 10 0 DDAERO CC[C@H]1CN(CC(=O)NCc2ccccc2)CC[N@@H+]1CCOC ZINC000105836094 194141420 /nfs/dbraw/zinc/14/14/20/194141420.db2.gz WUVOVXNWOOIJDS-KRWDZBQOSA-N 1 0 319.449 1.345 10 0 DDAERO Cc1nn(C)c(C)c1C[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105870063 194151998 /nfs/dbraw/zinc/15/19/98/194151998.db2.gz QITDZUWRTWIRFS-UHFFFAOYSA-N 1 0 316.453 1.478 10 0 DDAERO CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105883923 194157066 /nfs/dbraw/zinc/15/70/66/194157066.db2.gz IUVYMRPRSLHFJK-CABCVRRESA-N 1 0 307.442 1.541 10 0 DDAERO COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105895544 194161752 /nfs/dbraw/zinc/16/17/52/194161752.db2.gz 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C[C@H]([NH3+])c1cccc(S(=O)(=O)N2CCN(C)C(C)(C)C2)c1 ZINC000110763495 194356855 /nfs/dbraw/zinc/35/68/55/194356855.db2.gz FCNXREIVJCGGJI-LBPRGKRZSA-N 1 0 311.451 1.421 10 0 DDAERO Cc1nc(C[NH3+])sc1-c1nc2cc(S(C)(=O)=O)ccc2[nH]1 ZINC000110790859 194359025 /nfs/dbraw/zinc/35/90/25/194359025.db2.gz MCFOEBOPAOYYMB-UHFFFAOYSA-N 1 0 322.415 1.857 10 0 DDAERO COc1ccc(C[NH2+]CCCS(N)(=O)=O)c(Cl)c1OC ZINC000110822809 194362308 /nfs/dbraw/zinc/36/23/08/194362308.db2.gz XMVCJONIVATOFU-UHFFFAOYSA-N 1 0 322.814 1.125 10 0 DDAERO CCN(CC(=O)N1CCc2sccc2C1)[C@H]1CCC[NH2+]C1 ZINC000110945061 194373486 /nfs/dbraw/zinc/37/34/86/194373486.db2.gz TZSLBVAGOYBGOU-AWEZNQCLSA-N 1 0 307.463 1.707 10 0 DDAERO CS(=O)(=O)CCSc1c(C(N)=[NH2+])cnc2ccccc21 ZINC000111005000 194380951 /nfs/dbraw/zinc/38/09/51/194380951.db2.gz XLMQCKCLQAUMFG-UHFFFAOYSA-N 1 0 309.416 1.656 10 0 DDAERO Cc1c(N)cc(S(=O)(=O)N(C)CCC[NH+](C)C)cc1Cl ZINC000111131239 194393712 /nfs/dbraw/zinc/39/37/12/194393712.db2.gz FDKMFRUSPOCDRQ-UHFFFAOYSA-N 1 0 319.858 1.803 10 0 DDAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)Nc1cc(F)c(F)c(F)c1 ZINC000061120945 184162505 /nfs/dbraw/zinc/16/25/05/184162505.db2.gz ZHBKHZGBEBTCSS-QMMMGPOBSA-N 1 0 308.325 1.845 10 0 DDAERO C[N@@H+]1CCC[C@@H](CNc2nc(Cl)nc(-n3ccnc3)n2)C1 ZINC000061540806 184173528 /nfs/dbraw/zinc/17/35/28/184173528.db2.gz LRRQYYDPNRDBID-JTQLQIEISA-N 1 0 307.789 1.464 10 0 DDAERO Clc1nc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc(N2CCCC2)n1 ZINC000061540938 184173570 /nfs/dbraw/zinc/17/35/70/184173570.db2.gz TWYWLLBZNKLKSL-SNVBAGLBSA-N 1 0 308.817 1.774 10 0 DDAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2ccc(C(F)(F)F)cc2)C1 ZINC000061627025 184179303 /nfs/dbraw/zinc/17/93/03/184179303.db2.gz SECWYVCUNKLJSL-VXGBXAGGSA-N 1 0 302.296 1.699 10 0 DDAERO COCCN(Cc1[nH+]c(NN)ccc1Cl)[C@@H](C)COC ZINC000061638482 184179950 /nfs/dbraw/zinc/17/99/50/184179950.db2.gz MCLFFTUWFPXYHT-JTQLQIEISA-N 1 0 302.806 1.504 10 0 DDAERO [NH3+]CCS(=O)(=O)Nc1cc(Br)ccc1Cl ZINC000061692179 184183266 /nfs/dbraw/zinc/18/32/66/184183266.db2.gz 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C[C@@H](O)C[N@@H+]1CCN(Cc2nccn2-c2ccccc2)C[C@@H]1C ZINC000191336091 408408713 /nfs/dbraw/zinc/40/87/13/408408713.db2.gz KOTHVDKCLKFMBR-JKSUJKDBSA-N 1 0 314.433 1.759 10 0 DDAERO O=C(CSc1nnc2ccccn21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000183431700 408410990 /nfs/dbraw/zinc/41/09/90/408410990.db2.gz BFBXZPHFDVTPOJ-LBPRGKRZSA-N 1 0 317.418 1.128 10 0 DDAERO C[C@H](NC(=O)[C@H](C)[NH2+]C[C@H]1CN(C)CCO1)c1ccccc1 ZINC000247193650 408428418 /nfs/dbraw/zinc/42/84/18/408428418.db2.gz OIJFLWOXEBDTJN-DZKIICNBSA-N 1 0 305.422 1.173 10 0 DDAERO Cc1cccc(CNC(=O)CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000247554776 408490893 /nfs/dbraw/zinc/49/08/93/408490893.db2.gz ZNWJCAYTZYXVKG-NVXWUHKLSA-N 1 0 301.434 1.780 10 0 DDAERO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCCn3ncnc32)CC1 ZINC000176553790 162546694 /nfs/dbraw/zinc/54/66/94/162546694.db2.gz VABIFUVWIZWXCO-CQSZACIVSA-N 1 0 320.441 1.534 10 0 DDAERO CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247395651 408464175 /nfs/dbraw/zinc/46/41/75/408464175.db2.gz 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Cc1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1C ZINC000177686330 408685158 /nfs/dbraw/zinc/68/51/58/408685158.db2.gz BQFIWKOLDJRZQO-OAHLLOKOSA-N 1 0 301.390 1.549 10 0 DDAERO CCOc1ccccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177698486 408688145 /nfs/dbraw/zinc/68/81/45/408688145.db2.gz YDWVSXBLKREODW-ZDUSSCGKSA-N 1 0 317.389 1.330 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccsc1 ZINC000249173928 408701319 /nfs/dbraw/zinc/70/13/19/408701319.db2.gz LUCBNNFDOGDPTH-STQMWFEESA-N 1 0 307.419 1.772 10 0 DDAERO CN1CCO[C@@H](C[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000252442960 408793567 /nfs/dbraw/zinc/79/35/67/408793567.db2.gz KPBDBQGKWNESRI-JSGCOSHPSA-N 1 0 323.824 1.366 10 0 DDAERO CCOCC[N@@H+]1CCN(C[C@@H](O)COC(C)C)C[C@H]1CC ZINC000252321792 408793876 /nfs/dbraw/zinc/79/38/76/408793876.db2.gz ZAFQTCCCVZBYMC-HZPDHXFCSA-N 1 0 302.459 1.205 10 0 DDAERO C[C@]12CCC(=O)N1[C@H](C(=O)N1CC[N@@H+]3CCCC[C@@H]3C1)CS2 ZINC000195068251 408810368 /nfs/dbraw/zinc/81/03/68/408810368.db2.gz AQQSERPWEVFKDK-WWGRRREGSA-N 1 0 323.462 1.137 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2Cc3ccccc3C(=O)O2)C1 ZINC000249613964 408751116 /nfs/dbraw/zinc/75/11/16/408751116.db2.gz WHKHQOXLUUYNQB-UKRRQHHQSA-N 1 0 302.374 1.369 10 0 DDAERO C[C@@H]1CN(C(=O)c2cn3ccnc3s2)C[C@H]1N1CCOCC1 ZINC000188581220 163059579 /nfs/dbraw/zinc/05/95/79/163059579.db2.gz KIVAHYJJFAYONP-VXGBXAGGSA-N 1 0 320.418 1.189 10 0 DDAERO C[C@H]1OCCC[C@@H]1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000188636867 163062380 /nfs/dbraw/zinc/06/23/80/163062380.db2.gz ATOVCIRDXWXINA-WBVHZDCISA-N 1 0 324.465 1.905 10 0 DDAERO C[C@H]1OCCC[C@@H]1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000188935859 163077560 /nfs/dbraw/zinc/07/75/60/163077560.db2.gz ISAOUCGMOMAUSR-ZBFHGGJFSA-N 1 0 312.454 1.761 10 0 DDAERO C[NH+](C)CCCNC(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000189515738 163103913 /nfs/dbraw/zinc/10/39/13/163103913.db2.gz ZWMTUPGWDPNEBP-NWDGAFQWSA-N 1 0 317.405 1.402 10 0 DDAERO CCC[N@H+](C[C@H](O)CN1C(=O)c2ccccc2C1=O)CC1CC1 ZINC000193157671 163249075 /nfs/dbraw/zinc/24/90/75/163249075.db2.gz XWDRIXPMLRNZAU-AWEZNQCLSA-N 1 0 316.401 1.766 10 0 DDAERO CCn1cc(C2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)cn1 ZINC000195513024 163325874 /nfs/dbraw/zinc/32/58/74/163325874.db2.gz XNNBLTSPULROLB-MRXNPFEDSA-N 1 0 303.410 1.340 10 0 DDAERO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1c(F)cc(F)cc1F ZINC000216089792 163330378 /nfs/dbraw/zinc/33/03/78/163330378.db2.gz LHSGJFVPTUFGEU-YUMQZZPRSA-N 1 0 308.325 1.462 10 0 DDAERO COc1cc2c(c(CN3CCO[C@@H](C[NH+](C)C)C3)c1)O[C@H](C)C2 ZINC000246258960 163471275 /nfs/dbraw/zinc/47/12/75/163471275.db2.gz WWICKHXOIRJTLW-DYVFJYSZSA-N 1 0 320.433 1.781 10 0 DDAERO Cc1oncc1C(=O)Nc1ccc(NC(=O)C[C@@H](C)[NH3+])cc1 ZINC000261679226 163683362 /nfs/dbraw/zinc/68/33/62/163683362.db2.gz BHXORIHAMGFAFT-SECBINFHSA-N 1 0 302.334 1.911 10 0 DDAERO CCc1cnc(N2CCN(C(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)s1 ZINC000261706690 163688483 /nfs/dbraw/zinc/68/84/83/163688483.db2.gz IXCKKPNUZQQDLG-TZMCWYRMSA-N 1 0 322.478 1.729 10 0 DDAERO 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196230538 /nfs/dbraw/zinc/23/05/38/196230538.db2.gz BKGBHBDCCPUHRQ-WFASDCNBSA-N 1 0 318.421 1.313 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ncc(C(C)C)s2)C1 ZINC000190403646 222077901 /nfs/dbraw/zinc/07/79/01/222077901.db2.gz QWJUDLXRBOFSEO-LLVKDONJSA-N 1 0 324.450 1.806 10 0 DDAERO CS(=O)(=O)c1ccc(NC[C@H]2C[NH2+]CCCO2)c(F)c1 ZINC000389844235 418750536 /nfs/dbraw/zinc/75/05/36/418750536.db2.gz ZIFKZRASPXVSTH-SNVBAGLBSA-N 1 0 302.371 1.020 10 0 DDAERO CO[C@@H]1CN(S(=O)(=O)c2sc(C)cc2C)[C@](C)(C[NH3+])C1 ZINC000630362237 422050625 /nfs/dbraw/zinc/05/06/25/422050625.db2.gz AFRSDRRYDDSVGY-AAEUAGOBSA-N 1 0 318.464 1.492 10 0 DDAERO COC(=O)C1CCC(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000179502785 263359909 /nfs/dbraw/zinc/35/99/09/263359909.db2.gz BLBIBBIBAMZBQW-XSCHDIRWSA-N 1 0 308.422 1.661 10 0 DDAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC000227657898 263546956 /nfs/dbraw/zinc/54/69/56/263546956.db2.gz PBHBDMCUGXXWML-GFCCVEGCSA-N 1 0 311.426 1.502 10 0 DDAERO 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CC1(C)CN(CC(=O)Nc2nc3c(s2)CCC3)CC[C@@H]1[NH3+] ZINC000261862450 278329169 /nfs/dbraw/zinc/32/91/69/278329169.db2.gz SIQXDKRSTJRIEN-LBPRGKRZSA-N 1 0 308.451 1.630 10 0 DDAERO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173944000 279232058 /nfs/dbraw/zinc/23/20/58/279232058.db2.gz FGDXNVJNKOZSJE-NCOADZHNSA-N 1 0 323.481 1.476 10 0 DDAERO CCOc1ncccc1NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000048206470 280876968 /nfs/dbraw/zinc/87/69/68/280876968.db2.gz KMLMMTQJAPWLSO-CYBMUJFWSA-N 1 0 322.409 1.449 10 0 DDAERO COCCOc1cccc(CC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000122306869 281154335 /nfs/dbraw/zinc/15/43/35/281154335.db2.gz COYFRCJOBWNLQR-OAHLLOKOSA-N 1 0 306.406 1.417 10 0 DDAERO CC1(C)CN(S(=O)(=O)CCCC(F)(F)F)CC[C@H]1[NH3+] ZINC000261566271 281250445 /nfs/dbraw/zinc/25/04/45/281250445.db2.gz GKXNYELFOLQHJW-SECBINFHSA-N 1 0 302.362 1.718 10 0 DDAERO Cc1ccc([C@H](C)NC(=O)NC[C@](C)(O)C[NH+](C)C)cc1F ZINC000130570617 281385766 /nfs/dbraw/zinc/38/57/66/281385766.db2.gz SVQIRSGFDLRYPW-LRDDRELGSA-N 1 0 311.401 1.807 10 0 DDAERO Cc1cnn(CCNC(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000185666237 281692524 /nfs/dbraw/zinc/69/25/24/281692524.db2.gz QPDZYNJWPQTGFS-UHFFFAOYSA-N 1 0 307.442 1.613 10 0 DDAERO Cc1ccc(CCNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cn1 ZINC000246840526 282017723 /nfs/dbraw/zinc/01/77/23/282017723.db2.gz FATIYTSFQBUGNT-CZUORRHYSA-N 1 0 304.438 1.960 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)[C@H](c2ccccc2)C2CC2)CCO1 ZINC000155427308 289200817 /nfs/dbraw/zinc/20/08/17/289200817.db2.gz BTRJHNLMZQPBSH-IAGOWNOFSA-N 1 0 302.418 1.969 10 0 DDAERO C[C@H](O)C[C@@H]1COCCN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000162897087 290138500 /nfs/dbraw/zinc/13/85/00/290138500.db2.gz YDQNSXAAZPIZSF-WMLDXEAASA-N 1 0 310.413 1.729 10 0 DDAERO COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)[C@H](C)[NH3+] ZINC000157876164 294994710 /nfs/dbraw/zinc/99/47/10/294994710.db2.gz LWIFSHXZGWNOSS-NSHDSACASA-N 1 0 307.394 1.596 10 0 DDAERO [NH3+][C@H]1CCC[C@H](C(=O)NC2CCN(CC(F)(F)F)CC2)C1 ZINC000178686352 295337271 /nfs/dbraw/zinc/33/72/71/295337271.db2.gz KSNZGLIBZDRJLI-QWRGUYRKSA-N 1 0 307.360 1.647 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCN(CC(F)(F)F)C2)C1 ZINC000170855472 298222822 /nfs/dbraw/zinc/22/28/22/298222822.db2.gz HHAKWNDVCWKNDD-RYUDHWBXSA-N 1 0 307.360 1.423 10 0 DDAERO O=C(c1occc1Br)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000573848893 304618876 /nfs/dbraw/zinc/61/88/76/304618876.db2.gz KNIIVYYNHPNDDN-UWVGGRQHSA-N 1 0 315.167 1.245 10 0 DDAERO CN1CC[C@H]([N@@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)C1=O ZINC000364423160 300394298 /nfs/dbraw/zinc/39/42/98/300394298.db2.gz OYJGFHSBAWPSBO-ONGXEEELSA-N 1 0 316.327 1.839 10 0 DDAERO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1c[nH]nc1[C@@H]1CCOC1 ZINC000376402627 302073403 /nfs/dbraw/zinc/07/34/03/302073403.db2.gz JUAIAGYHXHJDNL-MCIONIFRSA-N 1 0 318.421 1.612 10 0 DDAERO Cc1n[nH]c(CC[NH2+][C@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000400441427 302369333 /nfs/dbraw/zinc/36/93/33/302369333.db2.gz OIKKJWPTMQJIPI-DGCLKSJQSA-N 1 0 323.441 1.891 10 0 DDAERO Cn1ncc(N[C@H](C[NH3+])C2CCCC2)c(Br)c1=O ZINC000236103164 303052593 /nfs/dbraw/zinc/05/25/93/303052593.db2.gz DCDGNRJUHKAORK-SECBINFHSA-N 1 0 315.215 1.472 10 0 DDAERO Cc1cc[nH+]c(NC[C@@H]2CCN(c3ncnc4nc[nH]c43)C2)c1 ZINC000377541463 307272304 /nfs/dbraw/zinc/27/23/04/307272304.db2.gz DAYKPSSEQMCQCL-LBPRGKRZSA-N 1 0 309.377 1.995 10 0 DDAERO COc1nc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)ncc1Br ZINC000229060895 484165721 /nfs/dbraw/zinc/16/57/21/484165721.db2.gz KYYQUFCGQFRQEE-WPRPVWTQSA-N 1 0 315.215 1.634 10 0 DDAERO c1ccc(CN2CCO[C@H]3CN(C[C@H]4CCC[NH2+]C4)C[C@H]32)cc1 ZINC000261813141 484256438 /nfs/dbraw/zinc/25/64/38/484256438.db2.gz HTQBTSWKAGZOMF-OTWHNJEPSA-N 1 0 315.461 1.571 10 0 DDAERO CC(C)(C)c1ccccc1OCC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262144394 484264179 /nfs/dbraw/zinc/26/41/79/484264179.db2.gz HJHMMASZXPRBRM-JSGCOSHPSA-N 1 0 306.406 1.059 10 0 DDAERO COc1cc(Cl)c(Cl)cc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262282696 484267332 /nfs/dbraw/zinc/26/73/32/484267332.db2.gz OBKMOKOBEZMDDR-WRWORJQWSA-N 1 0 319.188 1.312 10 0 DDAERO Cc1nn(Cc2ccccc2)c(C)c1CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000263116548 484274260 /nfs/dbraw/zinc/27/42/60/484274260.db2.gz APMFYWOJMCHFFW-SJLPKXTDSA-N 1 0 314.433 1.218 10 0 DDAERO CC(C)CC(=O)N[C@H](C(=O)N1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000157873210 519600888 /nfs/dbraw/zinc/60/08/88/519600888.db2.gz KUBJHTSKHDAMFQ-RDJZCZTQSA-N 1 0 317.433 1.840 10 0 DDAERO Cn1ncc(N[C@H]2CCC[C@H]2C[NH3+])c(Br)c1=O ZINC000159653292 527575163 /nfs/dbraw/zinc/57/51/63/527575163.db2.gz VPRATVKGFWPATP-YUMQZZPRSA-N 1 0 301.188 1.082 10 0 DDAERO C[C@H]1CN(Cc2cn(C)nc2Br)C[C@H]1[NH+](C)C ZINC000713859674 699268042 /nfs/dbraw/zinc/26/80/42/699268042.db2.gz DMNXUWUSJOAGIY-GXSJLCMTSA-N 1 0 301.232 1.565 10 0 DDAERO C[C@H]([NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1)C(=O)N(C)C ZINC000049098464 696220366 /nfs/dbraw/zinc/22/03/66/696220366.db2.gz CQIOLHDECHXVEP-CABZTGNLSA-N 1 0 304.312 1.805 10 0 DDAERO O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1CCOc2ccccc21 ZINC000051988060 696250662 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C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C[C@@H](O)C(F)(F)F)C1 ZINC000248660317 282097407 /nfs/dbraw/zinc/09/74/07/282097407.db2.gz VWAHGOFKQBENNE-UONOGXRCSA-N 1 0 317.355 1.759 10 0 DDAERO Cc1cc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cnc1Cl ZINC000181230105 199269340 /nfs/dbraw/zinc/26/93/40/199269340.db2.gz MVAIWKQGNGFJLD-LBPRGKRZSA-N 1 0 312.801 1.838 10 0 DDAERO CCOC(=O)c1ccc(N2C(=O)C[C@@H](SCC[NH3+])C2=O)cc1 ZINC000095611879 185382724 /nfs/dbraw/zinc/38/27/24/185382724.db2.gz PXUDGZPNLUIRRX-GFCCVEGCSA-N 1 0 322.386 1.187 10 0 DDAERO CC[NH+](CC)CCn1cc(N[C@@H](C)CS(C)(=O)=O)cn1 ZINC000081900686 192335104 /nfs/dbraw/zinc/33/51/04/192335104.db2.gz ICKBFFAQRYMWAH-LBPRGKRZSA-N 1 0 302.444 1.070 10 0 DDAERO COc1ccc(C[NH+](C)C)cc1N[C@H](C)CS(C)(=O)=O ZINC000081899671 192335999 /nfs/dbraw/zinc/33/59/99/192335999.db2.gz GUYLQODQFGAENX-LLVKDONJSA-N 1 0 300.424 1.602 10 0 DDAERO CCC[C@H]([NH2+]CC)[C@@H](CC)S(=O)(=O)CCS(C)(=O)=O ZINC000081927717 192340462 /nfs/dbraw/zinc/34/04/62/192340462.db2.gz APLBHQCDAKOFOJ-NWDGAFQWSA-N 1 0 313.485 1.003 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)C(C)(C)Oc2ccc(F)cc2)CCO1 ZINC000116793748 282136417 /nfs/dbraw/zinc/13/64/17/282136417.db2.gz SZZHTEUUTYASPU-HNNXBMFYSA-N 1 0 324.396 1.772 10 0 DDAERO CC[C@@H](C)S(=O)(=O)C[C@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000081938101 192342764 /nfs/dbraw/zinc/34/27/64/192342764.db2.gz WEFVAFIAAPFGTR-PWSUYJOCSA-N 1 0 301.408 1.917 10 0 DDAERO O=S(=O)(CCC1CC[NH2+]CC1)N1CCC[C@H]2CCC[C@H]21 ZINC000087772348 185231796 /nfs/dbraw/zinc/23/17/96/185231796.db2.gz XDEOUXUCZSFRRL-HUUCEWRRSA-N 1 0 300.468 1.970 10 0 DDAERO CCC[C@H](C[NH3+])C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000087517978 185227565 /nfs/dbraw/zinc/22/75/65/185227565.db2.gz NQYFSYYOGRIELC-SECBINFHSA-N 1 0 320.361 1.996 10 0 DDAERO CC[C@H](C[NH3+])C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000087532568 185227661 /nfs/dbraw/zinc/22/76/61/185227661.db2.gz VSUJMHVEHKMWHC-LLVKDONJSA-N 1 0 313.423 1.297 10 0 DDAERO Cc1cc(NC(=O)[C@H](C[NH3+])C(C)C)ccc1NS(C)(=O)=O ZINC000087519983 185227691 /nfs/dbraw/zinc/22/76/91/185227691.db2.gz OKHMYNUVDYPPJZ-GFCCVEGCSA-N 1 0 313.423 1.536 10 0 DDAERO C[C@@H]([NH3+])CCC[C@H](C)C(=O)Nc1ccccc1S(N)(=O)=O ZINC000087697828 185230687 /nfs/dbraw/zinc/23/06/87/185230687.db2.gz BVMZOHVLIAFWJN-WDEREUQCSA-N 1 0 313.423 1.426 10 0 DDAERO CCN(C(=O)[C@H](C)CCC[C@@H](C)[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000087695580 185230782 /nfs/dbraw/zinc/23/07/82/185230782.db2.gz BAERGCLKFNCKRC-JHJVBQTASA-N 1 0 304.456 1.176 10 0 DDAERO CCC[NH2+][C@H]1c2ccccc2C[C@@H]1S(=O)(=O)CC(=O)OC ZINC000081975739 192347613 /nfs/dbraw/zinc/34/76/13/192347613.db2.gz XZJSTGCHRVKCJD-ZFWWWQNUSA-N 1 0 311.403 1.240 10 0 DDAERO CCC[NH2+][C@@H](c1ccccc1)[C@H](C)S(=O)(=O)CC(=O)OC ZINC000081975730 192347716 /nfs/dbraw/zinc/34/77/16/192347716.db2.gz QDZHSLSWJULRHK-SWLSCSKDSA-N 1 0 313.419 1.704 10 0 DDAERO CCc1nn(C)c(C[S@@](=O)CCC[NH3+])c1Br ZINC000088066488 185238680 /nfs/dbraw/zinc/23/86/80/185238680.db2.gz IZAVVXPUOMMNQA-MRXNPFEDSA-N 1 0 308.245 1.343 10 0 DDAERO CS(=O)(=O)NCC[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816154 185232398 /nfs/dbraw/zinc/23/23/98/185232398.db2.gz IVPOTVNHUGUYLB-AWEZNQCLSA-N 1 0 307.419 1.684 10 0 DDAERO Nc1[nH+]c2ccc(Br)cc2n1C[C@H]1CCC(=O)N1 ZINC000087837694 185233065 /nfs/dbraw/zinc/23/30/65/185233065.db2.gz GCRPMEJWNKYBRI-MRVPVSSYSA-N 1 0 309.167 1.660 10 0 DDAERO CC[C@@H]1CO[C@@H](C)CN1c1nc(NN)[nH+]cc1Br ZINC000087864297 185233821 /nfs/dbraw/zinc/23/38/21/185233821.db2.gz XWENWCUIRZIPGX-JGVFFNPUSA-N 1 0 316.203 1.528 10 0 DDAERO [NH3+]C[C@H](c1ccc(Br)s1)N1CCCNC(=O)C1 ZINC000087883012 185234347 /nfs/dbraw/zinc/23/43/47/185234347.db2.gz ACXVDZYYOXHSBP-MRVPVSSYSA-N 1 0 318.240 1.332 10 0 DDAERO CC[NH2+][C@H](CS(=O)(=O)CCC(=O)OC)c1ccc(C)cc1 ZINC000081974908 192348245 /nfs/dbraw/zinc/34/82/45/192348245.db2.gz CAMDTOJUJFECMQ-CQSZACIVSA-N 1 0 313.419 1.624 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccn([C@H](C)COC)n2)C1 ZINC000251481984 282201581 /nfs/dbraw/zinc/20/15/81/282201581.db2.gz DMPMNYMCSJPKGT-CHWSQXEVSA-N 1 0 309.414 1.696 10 0 DDAERO C[C@@H](C[NH3+])S(=O)(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000088474006 185252417 /nfs/dbraw/zinc/25/24/17/185252417.db2.gz BJBLIRFPPVQOTR-LURJTMIESA-N 1 0 300.277 1.933 10 0 DDAERO CC(C)[NH2+]CCCS(=O)(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000088433054 185249673 /nfs/dbraw/zinc/24/96/73/185249673.db2.gz NHRXJVGOMVYBLN-NSHDSACASA-N 1 0 316.389 1.979 10 0 DDAERO CCN[C@](C)(C[C@@H](C)[NH+]1CCC(C(F)(F)F)CC1)C(N)=O ZINC000088435566 185250254 /nfs/dbraw/zinc/25/02/54/185250254.db2.gz PKZUVJKYJHJSLZ-ZWNOBZJWSA-N 1 0 309.376 1.893 10 0 DDAERO O=C(CC[C@H]1CCC[NH2+]C1)Nc1cnc(Br)cn1 ZINC000088446345 185251308 /nfs/dbraw/zinc/25/13/08/185251308.db2.gz QNQJXYSGMFOKBX-SECBINFHSA-N 1 0 313.199 1.957 10 0 DDAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N(CC)[C@@H](C)COC)o1 ZINC000088544086 185256757 /nfs/dbraw/zinc/25/67/57/185256757.db2.gz FLSXTAQUIMUSRJ-LBPRGKRZSA-N 1 0 318.439 1.825 10 0 DDAERO C[C@@H]1COCCN1S(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000088543796 185256765 /nfs/dbraw/zinc/25/67/65/185256765.db2.gz SYEPNHAAMBYGMX-LLVKDONJSA-N 1 0 316.423 1.577 10 0 DDAERO CC[C@H](C)N1CCN(S(=O)(=O)c2ccc(C[NH2+]C)o2)CC1 ZINC000088544476 185257224 /nfs/dbraw/zinc/25/72/24/185257224.db2.gz BSHZMVDTMSIHEZ-LBPRGKRZSA-N 1 0 315.439 1.104 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2)o1 ZINC000088544471 185257243 /nfs/dbraw/zinc/25/72/43/185257243.db2.gz JMADSTKULRZBPM-UHFFFAOYSA-N 1 0 312.366 1.959 10 0 DDAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N(C)CCCOC)o1 ZINC000088550677 185257434 /nfs/dbraw/zinc/25/74/34/185257434.db2.gz VSAMNFQBWPQOSE-UHFFFAOYSA-N 1 0 304.412 1.436 10 0 DDAERO CC(C)[C@H](CNCc1ccc(S(=O)(=O)N(C)C)o1)[NH+](C)C ZINC000088539974 185255827 /nfs/dbraw/zinc/25/58/27/185255827.db2.gz AMYDYDKQPFKMJG-ZDUSSCGKSA-N 1 0 317.455 1.206 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1c[nH]c(=O)c2ccccc12 ZINC000191622136 539258391 /nfs/dbraw/zinc/25/83/91/539258391.db2.gz GVFJLQXZHHCVTN-LBPRGKRZSA-N 1 0 301.390 1.988 10 0 DDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CNC(=O)CC2CCCCC2)C1 ZINC000252663408 282210240 /nfs/dbraw/zinc/21/02/40/282210240.db2.gz FSWDWANCHIGYGU-GOEBONIOSA-N 1 0 323.481 1.918 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN(Cc2ccncc2Cl)CC1 ZINC000088781610 185265542 /nfs/dbraw/zinc/26/55/42/185265542.db2.gz SNGNLMCVKSONHQ-CYBMUJFWSA-N 1 0 312.870 1.917 10 0 DDAERO O=C([C@@H]1CCCN1Cc1ccncc1Cl)N1CC[NH2+]CC1 ZINC000088782490 185265698 /nfs/dbraw/zinc/26/56/98/185265698.db2.gz BGVAEMNPGPAYDQ-AWEZNQCLSA-N 1 0 308.813 1.131 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)CC[C@H]1CCCO1 ZINC000246034148 539269295 /nfs/dbraw/zinc/26/92/95/539269295.db2.gz QJTOCOXRKXWCNB-UONOGXRCSA-N 1 0 304.456 1.301 10 0 DDAERO CCS[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)CN1CCCC1=O ZINC000253296447 282214553 /nfs/dbraw/zinc/21/45/53/282214553.db2.gz SGIFHPKBKCFHKL-HZSPNIEDSA-N 1 0 300.468 1.624 10 0 DDAERO CCC[NH2+][C@H]1CCOC[C@H]1S(=O)(=O)c1ccccc1OC ZINC000081987737 192351416 /nfs/dbraw/zinc/35/14/16/192351416.db2.gz SEABBMLMZULMHN-SWLSCSKDSA-N 1 0 313.419 1.626 10 0 DDAERO Nc1[nH+]c2cc(Br)ccc2n1[C@H]1CCC(=O)NC1=O ZINC000090018254 185278462 /nfs/dbraw/zinc/27/84/62/185278462.db2.gz IWABAGOAZAWJOO-VIFPVBQESA-N 1 0 323.150 1.359 10 0 DDAERO Cc1cn2c(C[NH2+][C@@H]3CCC(=O)N(C)C3=O)c(C)nc2s1 ZINC000090023865 185278748 /nfs/dbraw/zinc/27/87/48/185278748.db2.gz VKDAFSIJTIFEHL-SNVBAGLBSA-N 1 0 306.391 1.250 10 0 DDAERO COCCC[S@](=O)C[C@@H]([NH3+])c1ccc(OC)cc1OC ZINC000081998143 192352460 /nfs/dbraw/zinc/35/24/60/192352460.db2.gz ANIRVTKGNUEVSV-ZUOKHONESA-N 1 0 301.408 1.489 10 0 DDAERO CCCn1cncc1C[NH2+]CCCN(CC)S(C)(=O)=O ZINC000090204843 185286879 /nfs/dbraw/zinc/28/68/79/185286879.db2.gz AZPWPTQHVGNPGU-UHFFFAOYSA-N 1 0 302.444 1.054 10 0 DDAERO C[C@H]([NH2+]C[C@@](C)(O)CO)c1ccc(F)c(Br)c1 ZINC000090285137 185289217 /nfs/dbraw/zinc/28/92/17/185289217.db2.gz AIWGPKXEEGVXJP-QPUJVOFHSA-N 1 0 306.175 1.982 10 0 DDAERO Brc1ccsc1CN1CCN(C2C[NH2+]C2)CC1 ZINC000090307342 185290096 /nfs/dbraw/zinc/29/00/96/185290096.db2.gz AISQGYYKSMPPQC-UHFFFAOYSA-N 1 0 316.268 1.600 10 0 DDAERO FC(F)(F)c1cnc(N2CC(N3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000090309669 185290545 /nfs/dbraw/zinc/29/05/45/185290545.db2.gz SUTFYUNTWPRBNY-UHFFFAOYSA-N 1 0 320.746 1.848 10 0 DDAERO O=C(c1ccc(Br)c(F)c1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090320870 185290869 /nfs/dbraw/zinc/29/08/69/185290869.db2.gz QRQXXHMKVZOCHV-UWVGGRQHSA-N 1 0 313.170 1.880 10 0 DDAERO O=C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)Nc1ncc(Cl)cc1Cl ZINC000090322410 185291003 /nfs/dbraw/zinc/29/10/03/185291003.db2.gz HMNRPPNUNQQCIC-IUCAKERBSA-N 1 0 315.204 1.478 10 0 DDAERO CCCNS(=O)(=O)c1ccc(N2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000090322964 185291143 /nfs/dbraw/zinc/29/11/43/185291143.db2.gz DQBMEXTXRXKNIY-STQMWFEESA-N 1 0 309.435 1.031 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)c1ccc(Br)cn1 ZINC000090335855 185291679 /nfs/dbraw/zinc/29/16/79/185291679.db2.gz FTORJSHXRNZKDH-MWLCHTKSSA-N 1 0 324.222 1.914 10 0 DDAERO COc1cc(Cl)c(NC(=O)[C@H]2COC[C@H]2[NH3+])cc1OC ZINC000090380473 185293534 /nfs/dbraw/zinc/29/35/34/185293534.db2.gz PCBJAOUUDBCSPA-IONNQARKSA-N 1 0 300.742 1.269 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)N1CCc2sccc2[C@@H]1C1CC1 ZINC000090434773 185296301 /nfs/dbraw/zinc/29/63/01/185296301.db2.gz IKASFBUPXCOUFT-GUTXKFCHSA-N 1 0 306.431 1.818 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cc(C(=O)OC)ccc1Cl ZINC000090433340 185296404 /nfs/dbraw/zinc/29/64/04/185296404.db2.gz FBRYTSNDHYRFMP-JOYOIKCWSA-N 1 0 312.753 1.300 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ncccc1Br ZINC000090438451 185296674 /nfs/dbraw/zinc/29/66/74/185296674.db2.gz UYJAGNLABMYLOH-VXNVDRBHSA-N 1 0 300.156 1.017 10 0 DDAERO CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1S(=O)(=O)CCC(=O)OC ZINC000082009561 192353679 /nfs/dbraw/zinc/35/36/79/192353679.db2.gz CQNOYCYXBCNDTI-AVGNSLFASA-N 1 0 305.440 1.521 10 0 DDAERO C[C@]1(C(=O)Nc2cc(Br)ccc2F)COC[C@H]1[NH3+] ZINC000090583643 185305204 /nfs/dbraw/zinc/30/52/04/185305204.db2.gz DDIQSQNRVQBJKD-PWSUYJOCSA-N 1 0 317.158 1.891 10 0 DDAERO C[C@@]1(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)COC[C@H]1[NH3+] ZINC000090580677 185304828 /nfs/dbraw/zinc/30/48/28/185304828.db2.gz ZEZOWTPLJVJOJE-ZYHUDNBSSA-N 1 0 300.261 1.310 10 0 DDAERO Cc1noc(C)c1[C@@H](C)NS(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000092339901 185312976 /nfs/dbraw/zinc/31/29/76/185312976.db2.gz AASYGWQEXBUQFY-DGCLKSJQSA-N 1 0 315.439 1.804 10 0 DDAERO Cc1noc(C)c1[C@H](C)NS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000092344097 185313158 /nfs/dbraw/zinc/31/31/58/185313158.db2.gz PVRAQBZWBNAFQO-JTQLQIEISA-N 1 0 309.391 1.790 10 0 DDAERO Cc1noc(C)c1[C@H](C)NS(=O)(=O)c1csc(C[NH3+])c1 ZINC000092344047 185313185 /nfs/dbraw/zinc/31/31/85/185313185.db2.gz UCYNADKUYNOZDO-QMMMGPOBSA-N 1 0 315.420 1.851 10 0 DDAERO CC(C)(C)[NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000092460672 185320095 /nfs/dbraw/zinc/32/00/95/185320095.db2.gz JWBYFLYVCWPDRZ-UHFFFAOYSA-N 1 0 308.773 1.642 10 0 DDAERO CCNc1ccccc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000092672302 185333022 /nfs/dbraw/zinc/33/30/22/185333022.db2.gz QJTVZFNRCHXDGP-CYBMUJFWSA-N 1 0 311.451 1.833 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(N)cs1 ZINC000092622718 185329947 /nfs/dbraw/zinc/32/99/47/185329947.db2.gz GAIAFHWGBNYEIQ-LLVKDONJSA-N 1 0 303.453 1.435 10 0 DDAERO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(Cl)c1-n1cncn1 ZINC000092952721 185350299 /nfs/dbraw/zinc/35/02/99/185350299.db2.gz SFLIRBQIVLRVDO-ZJUUUORDSA-N 1 0 305.769 1.857 10 0 DDAERO CC(C)[NH+](C[C@@H](O)CN1C(=O)c2ccccc2C1=O)C(C)C ZINC000183066720 199530811 /nfs/dbraw/zinc/53/08/11/199530811.db2.gz OOXUCNDAWHIPHW-CYBMUJFWSA-N 1 0 304.390 1.762 10 0 DDAERO CCOC(=O)c1ccc(NC(=O)CC[NH3+])c(Br)c1 ZINC000037016845 190664428 /nfs/dbraw/zinc/66/44/28/190664428.db2.gz AJHLYNVZXXGVBC-UHFFFAOYSA-N 1 0 315.167 1.913 10 0 DDAERO C[NH2+][C@H](C)c1cc(Br)ccc1O[C@@H](C)C(N)=O ZINC000052066955 190680998 /nfs/dbraw/zinc/68/09/98/190680998.db2.gz FGOBAJSALUHLGB-SFYZADRCSA-N 1 0 301.184 1.982 10 0 DDAERO CNS(=O)(=O)c1ccc(N[C@@]2(C[NH3+])CCC[C@@H](C)C2)cc1 ZINC000111378868 185590833 /nfs/dbraw/zinc/59/08/33/185590833.db2.gz NMERQAUNYLJHJF-DOMZBBRYSA-N 1 0 311.451 1.914 10 0 DDAERO CO[C@H](C[NH3+])CC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000232112922 201894522 /nfs/dbraw/zinc/89/45/22/201894522.db2.gz AMGHNXFKURXVIO-SKDRFNHKSA-N 1 0 315.211 1.990 10 0 DDAERO CCC[NH2+][C@@H](C)C1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000111714713 185629419 /nfs/dbraw/zinc/62/94/19/185629419.db2.gz OJVXOEVPFZXJFV-ZDUSSCGKSA-N 1 0 318.483 1.595 10 0 DDAERO COCCCS(=O)(=O)N1CCCC[C@H]1C[NH2+]C(C)(C)C ZINC000111721089 185631506 /nfs/dbraw/zinc/63/15/06/185631506.db2.gz QFGGWPSMUGZVCK-ZDUSSCGKSA-N 1 0 306.472 1.595 10 0 DDAERO C[C@@H](C(=O)N1CC[C@H](N2CCOCC2)C1)[NH+]1CCCCCC1 ZINC000173978965 295747832 /nfs/dbraw/zinc/74/78/32/295747832.db2.gz GYVRJNKWMGQNDC-HOTGVXAUSA-N 1 0 309.454 1.184 10 0 DDAERO CCC[C@@H](C(=O)N1CCC[C@@H](CNC(=O)C(C)C)C1)[NH+](C)C ZINC000161926058 290790746 /nfs/dbraw/zinc/79/07/46/290790746.db2.gz OFUVQULVRBPVHI-GJZGRUSLSA-N 1 0 311.470 1.728 10 0 DDAERO CC(=O)c1cccc(S(=O)(=O)N2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC000070181044 190869031 /nfs/dbraw/zinc/86/90/31/190869031.db2.gz XVMZLYVTLJFFFE-AAEUAGOBSA-N 1 0 310.419 1.637 10 0 DDAERO C[C@@H]1CCC[C@H](C[NH3+])N1S(=O)(=O)c1cc(F)ccc1F ZINC000070154015 190863119 /nfs/dbraw/zinc/86/31/19/190863119.db2.gz JUIJIVOQNUPPTI-MWLCHTKSSA-N 1 0 304.362 1.855 10 0 DDAERO C[C@@H]1CCCN(C(=O)c2cccc(S(C)(=O)=O)c2)[C@@H]1C[NH3+] ZINC000070176450 190867805 /nfs/dbraw/zinc/86/78/05/190867805.db2.gz VAPLWTPDFRRICS-BXUZGUMPSA-N 1 0 310.419 1.290 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000170830558 306682940 /nfs/dbraw/zinc/68/29/40/306682940.db2.gz CLBCCARXTFUVJL-NEPJUHHUSA-N 1 0 322.375 1.216 10 0 DDAERO C[NH2+][C@H]1CCC2(C[C@@H]1[S@](=O)c1cccc(C)c1)OCCO2 ZINC000084048102 192397799 /nfs/dbraw/zinc/39/77/99/192397799.db2.gz GFAFCDXHJJLCTE-GXZWQRSESA-N 1 0 309.431 1.986 10 0 DDAERO COc1cccc2c1CN(CCCN1CCOCC1)[C@@H]2C[NH3+] ZINC000071683152 191006651 /nfs/dbraw/zinc/00/66/51/191006651.db2.gz KZTGQZOXNOQRBC-MRXNPFEDSA-N 1 0 305.422 1.233 10 0 DDAERO COc1cc(C)ccc1CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000155747412 186108770 /nfs/dbraw/zinc/10/87/70/186108770.db2.gz OOIOOGPRVOFWIW-HNNXBMFYSA-N 1 0 321.421 1.476 10 0 DDAERO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccc(-n3cccc3)cc2)C1 ZINC000183877912 186226673 /nfs/dbraw/zinc/22/66/73/186226673.db2.gz RKYYFFFYTBSEPE-HNNXBMFYSA-N 1 0 319.430 1.802 10 0 DDAERO C[C@H](C(=O)N[C@H]1CCC[C@@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000237451023 186291304 /nfs/dbraw/zinc/29/13/04/186291304.db2.gz ZSRCVQXSRAWZFJ-UNEWFSDZSA-N 1 0 301.434 1.677 10 0 DDAERO O=C(NCCCNc1ccccn1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171901532 198005535 /nfs/dbraw/zinc/00/55/35/198005535.db2.gz MSIOSRUJDNVPJK-AWEZNQCLSA-N 1 0 303.410 1.373 10 0 DDAERO COC[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CCO1 ZINC000172617534 198125961 /nfs/dbraw/zinc/12/59/61/198125961.db2.gz AONAGCZVSWYLNV-HOTGVXAUSA-N 1 0 306.406 1.033 10 0 DDAERO CCCCNC(=O)c1ccc(OC[C@H](O)C[NH2+]C(C)C)cc1 ZINC000002012385 352109708 /nfs/dbraw/zinc/10/97/08/352109708.db2.gz MJPFHRDYZFYOOU-OAHLLOKOSA-N 1 0 308.422 1.954 10 0 DDAERO CCn1nc(C)c(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1Cl ZINC000173791914 198252711 /nfs/dbraw/zinc/25/27/11/198252711.db2.gz RIMWXHCBFQSTGV-NSHDSACASA-N 1 0 314.817 1.267 10 0 DDAERO CCn1cc(C[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2=O)cn1 ZINC000173853439 198261391 /nfs/dbraw/zinc/26/13/91/198261391.db2.gz BQNCLATVOAXCGO-CQSZACIVSA-N 1 0 316.409 1.230 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(Cc2nc3ccccc3nc2C)CC1 ZINC000174091778 198290267 /nfs/dbraw/zinc/29/02/67/198290267.db2.gz ZUAHAQPPSAWJKB-HNNXBMFYSA-N 1 0 314.433 1.827 10 0 DDAERO COC(=O)C[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC000174472974 198338965 /nfs/dbraw/zinc/33/89/65/198338965.db2.gz GXAKXBXXAMOYRG-OAHLLOKOSA-N 1 0 304.390 1.749 10 0 DDAERO CC[C@@H]1CN(C(=O)[C@@H]2COc3ccccc32)CC[N@@H+]1C[C@@H](C)O ZINC000174595785 198356832 /nfs/dbraw/zinc/35/68/32/198356832.db2.gz JLSVRJDKMKDDAY-IIAWOOMASA-N 1 0 318.417 1.466 10 0 DDAERO COc1cccc(OC)c1C[N@@H+]1CC[C@@H](NC(C)=O)[C@@H](CO)C1 ZINC000075876348 353383317 /nfs/dbraw/zinc/38/33/17/353383317.db2.gz BMQWQMKUTBISLG-UKRRQHHQSA-N 1 0 322.405 1.023 10 0 DDAERO CCCCNC(=O)C1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000236780672 202006962 /nfs/dbraw/zinc/00/69/62/202006962.db2.gz LTPGPODDIPQLLY-GJZGRUSLSA-N 1 0 309.454 1.659 10 0 DDAERO CCCNC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C(C)C)cc1 ZINC000169317320 354251212 /nfs/dbraw/zinc/25/12/12/354251212.db2.gz PDFJIOYMUYVQRK-CQSZACIVSA-N 1 0 309.410 1.956 10 0 DDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC000248667109 354370193 /nfs/dbraw/zinc/37/01/93/354370193.db2.gz PHSKDNKCUXQALA-GXTWGEPZSA-N 1 0 313.405 1.930 10 0 DDAERO Cc1ncccc1C(=O)N1CCO[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000328626035 354550604 /nfs/dbraw/zinc/55/06/04/354550604.db2.gz DSXWHCKKAQQDPM-HNNXBMFYSA-N 1 0 303.406 1.573 10 0 DDAERO CN(C)C[C@@H](O)C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000494952961 235107413 /nfs/dbraw/zinc/10/74/13/235107413.db2.gz NEIBRSKUAWLRJU-RUXDESIVSA-N 1 0 315.458 1.334 10 0 DDAERO CCC[C@@H]([NH3+])C(=O)Nc1nc(-c2c[nH]c(C(=O)OC)c2)cs1 ZINC000236815235 202023546 /nfs/dbraw/zinc/02/35/46/202023546.db2.gz CILSIZTZISBJDJ-SECBINFHSA-N 1 0 322.390 1.991 10 0 DDAERO COCCN(C(=O)[C@]1([NH3+])CCC[C@H](C)C1)[C@@H]1CCSC1 ZINC000080920891 192200226 /nfs/dbraw/zinc/20/02/26/192200226.db2.gz IHBGLFNVBRMYMX-GUTXKFCHSA-N 1 0 300.468 1.875 10 0 DDAERO CCS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCCC[NH2+]2)cc1 ZINC000080994790 192210688 /nfs/dbraw/zinc/21/06/88/192210688.db2.gz YEOHEPDLDOVQOP-CQSZACIVSA-N 1 0 310.419 1.951 10 0 DDAERO COC[C@H]1CCN(c2ncc(Br)cc2C[NH3+])C1 ZINC000081117237 192229836 /nfs/dbraw/zinc/22/98/36/192229836.db2.gz CEJXJPHXJOLKOA-VIFPVBQESA-N 1 0 300.200 1.776 10 0 DDAERO CCC[NH2+]CCNC(=O)c1cccc(N2CCNC2=O)c1C ZINC000236848856 202038023 /nfs/dbraw/zinc/03/80/23/202038023.db2.gz CSTYQWOIOYMBMT-UHFFFAOYSA-N 1 0 304.394 1.254 10 0 DDAERO CCCN(CCC[NH3+])c1ncncc1I ZINC000085464920 192508453 /nfs/dbraw/zinc/50/84/53/192508453.db2.gz ZJYQEBPMXQHPHN-UHFFFAOYSA-N 1 0 320.178 1.646 10 0 DDAERO CC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CCS(=O)(=O)C1 ZINC000086261521 192557985 /nfs/dbraw/zinc/55/79/85/192557985.db2.gz HNVRNXNUSJDZEG-BFHYXJOUSA-N 1 0 302.484 1.520 10 0 DDAERO CCCN(CCC[NH+](C)C)C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000189268393 283221701 /nfs/dbraw/zinc/22/17/01/283221701.db2.gz VARFFAHVEJVGGC-CYBMUJFWSA-N 1 0 309.410 1.588 10 0 DDAERO CN([C@@H]1CCS(=O)(=O)C1)[C@@]1(C[NH3+])CCCC(C)(C)CC1 ZINC000086911312 192601761 /nfs/dbraw/zinc/60/17/61/192601761.db2.gz BEJWUKOSAQVWNN-HIFRSBDPSA-N 1 0 302.484 1.793 10 0 DDAERO CCS(=O)(=O)CCCOc1cc(CC[NH3+])ccc1OC ZINC000086979993 192605351 /nfs/dbraw/zinc/60/53/51/192605351.db2.gz QRORKFDUBPUATD-UHFFFAOYSA-N 1 0 301.408 1.400 10 0 DDAERO C[NH2+]CCn1nc(C)c(S(=O)(=O)N2CCCC[C@H]2C)c1C ZINC000088906827 192650966 /nfs/dbraw/zinc/65/09/66/192650966.db2.gz TZYVPUGRSLVNQV-LLVKDONJSA-N 1 0 314.455 1.282 10 0 DDAERO CC[NH2+]CC1CCN(S(=O)(=O)N(C)[C@@H](C)C(C)C)CC1 ZINC000088963426 192671767 /nfs/dbraw/zinc/67/17/67/192671767.db2.gz OXFAKGSCYNIRNN-ZDUSSCGKSA-N 1 0 305.488 1.529 10 0 DDAERO C[NH2+]Cc1ccc(F)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000088984091 192680791 /nfs/dbraw/zinc/68/07/91/192680791.db2.gz VJHCJBPCTHXVTP-NSHDSACASA-N 1 0 302.371 1.002 10 0 DDAERO CCCCN(C1CC1)S(=O)(=O)c1n[nH]c(C)c1C[NH2+]C ZINC000088995353 192688043 /nfs/dbraw/zinc/68/80/43/192688043.db2.gz KEHNYIGJTXUBQK-UHFFFAOYSA-N 1 0 300.428 1.391 10 0 DDAERO Cn1cc(C[N@@H+]2CCC[C@H](OCCO)C2)c(-c2ccncc2)n1 ZINC000179579476 199058467 /nfs/dbraw/zinc/05/84/67/199058467.db2.gz GYMWRSCIUSUCES-INIZCTEOSA-N 1 0 316.405 1.455 10 0 DDAERO CC[C@@H]1CN(Cc2cccc3nccn32)CC[N@@H+]1CCOC ZINC000180087112 199115523 /nfs/dbraw/zinc/11/55/23/199115523.db2.gz XIUJWWCWVXBAHP-OAHLLOKOSA-N 1 0 302.422 1.877 10 0 DDAERO CN1CCO[C@H](CNC(=O)c2ccccc2OC(F)(F)F)C1 ZINC000180106324 199117425 /nfs/dbraw/zinc/11/74/25/199117425.db2.gz KDQYWJKKEFILDJ-SNVBAGLBSA-N 1 0 318.295 1.646 10 0 DDAERO CC[C@H](C(=O)NC[C@@H]1CN(C)CCO1)c1ccc(OC)cc1 ZINC000180106842 199117642 /nfs/dbraw/zinc/11/76/42/199117642.db2.gz AFZCUCMMNRXILH-CVEARBPZSA-N 1 0 306.406 1.636 10 0 DDAERO C[NH2+]C[C@H](C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000237340175 202236997 /nfs/dbraw/zinc/23/69/97/202236997.db2.gz JWQJOXNIHHKNBC-UWVGGRQHSA-N 1 0 316.398 1.262 10 0 DDAERO COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCc3ncnn3C2)s1 ZINC000180608361 199184303 /nfs/dbraw/zinc/18/43/03/199184303.db2.gz SANBCDGQPKPPAH-CMPLNLGQSA-N 1 0 321.450 1.898 10 0 DDAERO Cc1ccc(S(=O)(=O)CCCN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000180623931 199186845 /nfs/dbraw/zinc/18/68/45/199186845.db2.gz VCZVXPJCIAXTOO-MRXNPFEDSA-N 1 0 322.474 1.939 10 0 DDAERO CCC(C)(C)N(C)S(=O)(=O)c1c(C)nn(CC[NH3+])c1C ZINC000089039312 192713648 /nfs/dbraw/zinc/71/36/48/192713648.db2.gz VQAXMSREBLHVHT-UHFFFAOYSA-N 1 0 302.444 1.268 10 0 DDAERO Cc1nn(C)c(C[C@]2(C[NH3+])CCC[C@@H]2O)c1Br ZINC000089272857 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CCOc1ccc([C@H](C)[NH3+])cc1CN(C)CCS(C)(=O)=O ZINC000094298189 193357758 /nfs/dbraw/zinc/35/77/58/193357758.db2.gz NBYZLFJXWQGSNL-LBPRGKRZSA-N 1 0 314.451 1.581 10 0 DDAERO CCC[NH2+][C@H](C)c1cnc(N(C)CCS(C)(=O)=O)s1 ZINC000094301107 193358405 /nfs/dbraw/zinc/35/84/05/193358405.db2.gz NMFSXXFXGWNPDW-SNVBAGLBSA-N 1 0 305.469 1.685 10 0 DDAERO CC(C)C[NH2+]Cc1ccc(CN(C)CCS(C)(=O)=O)cc1 ZINC000094300933 193358780 /nfs/dbraw/zinc/35/87/80/193358780.db2.gz YKPSACSHEKCVQF-UHFFFAOYSA-N 1 0 312.479 1.909 10 0 DDAERO NC(=O)c1ccc(C(F)(F)F)nc1N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000094337325 193361202 /nfs/dbraw/zinc/36/12/02/193361202.db2.gz IVDHIYPMBQLFSB-DTWKUNHWSA-N 1 0 302.300 1.881 10 0 DDAERO CC[N@@H+]1CC[C@H](CNS(=O)(=O)c2cc(C)cc(N)c2C)C1 ZINC000094358338 193363961 /nfs/dbraw/zinc/36/39/61/193363961.db2.gz BCMDBOLGVJCSQH-CYBMUJFWSA-N 1 0 311.451 1.506 10 0 DDAERO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Br)cc2N)C1 ZINC000094045054 193341031 /nfs/dbraw/zinc/34/10/31/193341031.db2.gz ZLAFFGYIWLOLCW-SNVBAGLBSA-N 1 0 312.211 1.855 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cc(C)c(Br)cn1 ZINC000094063522 193342198 /nfs/dbraw/zinc/34/21/98/193342198.db2.gz CQTWDEPGKPRGCV-WCBMZHEXSA-N 1 0 314.183 1.325 10 0 DDAERO CS(=O)(=O)c1ccc(N2CCC(OCCC[NH3+])CC2)cc1 ZINC000094073269 193343233 /nfs/dbraw/zinc/34/32/33/193343233.db2.gz BGGNBOZYKDJXAQ-UHFFFAOYSA-N 1 0 312.435 1.424 10 0 DDAERO CC(C)C[NH2+]Cc1ccc(OCCCS(C)(=O)=O)cn1 ZINC000094212091 193349259 /nfs/dbraw/zinc/34/92/59/193349259.db2.gz WVAVXYPBIBJEPA-UHFFFAOYSA-N 1 0 300.424 1.641 10 0 DDAERO C[NH+](C)[C@H](CNC(=O)[C@](C)(N)C(F)(F)F)c1cccs1 ZINC000094236638 193353334 /nfs/dbraw/zinc/35/33/34/193353334.db2.gz GTLILSWSBMFNKG-KCJUWKMLSA-N 1 0 309.357 1.747 10 0 DDAERO C[NH+](C)C[C@H](NC(=O)[C@](C)(N)C(F)(F)F)c1ccccc1 ZINC000094236552 193353762 /nfs/dbraw/zinc/35/37/62/193353762.db2.gz SNMUNBQODZKSAO-AAEUAGOBSA-N 1 0 303.328 1.685 10 0 DDAERO CS(=O)(=O)[C@@H]1CCC[C@H](N2CC[NH2+]CC23CCCCC3)C1 ZINC000094638784 193387741 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CCC[NH2+][C@H](Cc1ncnn1CC(C)C)[C@H]1CSCCO1 ZINC000094504284 193374936 /nfs/dbraw/zinc/37/49/36/193374936.db2.gz DCKOXDIRANGKNV-ZIAGYGMSSA-N 1 0 312.483 1.977 10 0 DDAERO [NH3+]C[C@@H]1CC[C@H](C(=O)Nc2cc3c(cc2Cl)NC(=O)C3)O1 ZINC000094566298 193381053 /nfs/dbraw/zinc/38/10/53/193381053.db2.gz UDZUZVCWDRMMCM-QPUJVOFHSA-N 1 0 309.753 1.279 10 0 DDAERO CC[N@H+](C)CCNC(=O)c1cc(C(F)(F)F)ccc1NN ZINC000094596671 193382643 /nfs/dbraw/zinc/38/26/43/193382643.db2.gz HYPZKSCEAWKWNQ-UHFFFAOYSA-N 1 0 304.316 1.673 10 0 DDAERO Brc1ccc2nc(NCC3CC[NH2+]CC3)nn2c1 ZINC000094607644 193384850 /nfs/dbraw/zinc/38/48/50/193384850.db2.gz GDQVNPXDGVPXCY-UHFFFAOYSA-N 1 0 310.199 1.903 10 0 DDAERO CC[NH2+][C@H]1CCOC[C@H]1S(=O)(=O)Cc1cc(C)cc(C)c1 ZINC000094719802 193394221 /nfs/dbraw/zinc/39/42/21/193394221.db2.gz NKMXMLKOIDINQR-JKSUJKDBSA-N 1 0 311.447 1.985 10 0 DDAERO CC[N@@H+]1CC[C@H](CNS(=O)(=O)c2cc(N)c(F)cc2C)C1 ZINC000094779301 193396384 /nfs/dbraw/zinc/39/63/84/193396384.db2.gz IXEFFCDBXVYSOH-LLVKDONJSA-N 1 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[NH3+]C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccccc1Cl ZINC000040749846 183128666 /nfs/dbraw/zinc/12/86/66/183128666.db2.gz IGVPILAXFBVWTR-FGWVZKOKSA-N 1 0 300.811 1.983 10 0 DDAERO Cc1nc(CNC(=O)[C@@H]2CCCN2C2CC[NH2+]CC2)cs1 ZINC000041011316 183156023 /nfs/dbraw/zinc/15/60/23/183156023.db2.gz RSNUTLTYOSPYFH-AWEZNQCLSA-N 1 0 308.451 1.284 10 0 DDAERO [NH3+]CCN(C1CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000041160867 183179322 /nfs/dbraw/zinc/17/93/22/183179322.db2.gz KLRKGLLFYHFIFG-UHFFFAOYSA-N 1 0 308.325 1.817 10 0 DDAERO C[C@H]1CN(S(=O)(=O)CC[C@@H]2CCCC[NH2+]2)CC(C)(C)O1 ZINC000041681323 183216055 /nfs/dbraw/zinc/21/60/55/183216055.db2.gz IGCFOKRQYOQSFI-STQMWFEESA-N 1 0 304.456 1.348 10 0 DDAERO CCCN(CC[NH+](C)C)c1nc2c(cc1C(N)=S)CCC2 ZINC000041681173 183216313 /nfs/dbraw/zinc/21/63/13/183216313.db2.gz MLIRPEYXYYGVCK-UHFFFAOYSA-N 1 0 306.479 1.983 10 0 DDAERO CCNS(=O)(=O)c1ccccc1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000042167122 183238258 /nfs/dbraw/zinc/23/82/58/183238258.db2.gz 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C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@H]([NH+](C)C)C3)ccc2O1 ZINC000106229638 194191074 /nfs/dbraw/zinc/19/10/74/194191074.db2.gz XGRDPUFAFKKECQ-YPMHNXCESA-N 1 0 310.419 1.335 10 0 DDAERO C[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cccnc1Cl ZINC000048552846 183665515 /nfs/dbraw/zinc/66/55/15/183665515.db2.gz KJECQWPXAJVICX-JTQLQIEISA-N 1 0 303.815 1.498 10 0 DDAERO C[C@H](CC[NH+](C)C)NC(=O)COc1ccccc1C(N)=S ZINC000049560055 183741722 /nfs/dbraw/zinc/74/17/22/183741722.db2.gz NWGZTIORUWYORV-LLVKDONJSA-N 1 0 309.435 1.156 10 0 DDAERO CCCOCCC(=O)N1CC[NH+]([C@H](CC)C(N)=S)CC1 ZINC000109462071 194266094 /nfs/dbraw/zinc/26/60/94/194266094.db2.gz LFVACCUJEKSYLW-GFCCVEGCSA-N 1 0 301.456 1.012 10 0 DDAERO CC[C@@H](C(N)=S)[NH+]1CCN(C(=O)c2cccc(C)c2)CC1 ZINC000109460523 194266105 /nfs/dbraw/zinc/26/61/05/194266105.db2.gz DUFUGOJEHRHWAT-AWEZNQCLSA-N 1 0 305.447 1.818 10 0 DDAERO C[C@@H](C(N)=S)[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000109471166 194266690 /nfs/dbraw/zinc/26/66/90/194266690.db2.gz WKDTZXVXSSBTGB-VIFPVBQESA-N 1 0 307.448 1.488 10 0 DDAERO C[C@H](C(N)=S)[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000109471131 194266721 /nfs/dbraw/zinc/26/67/21/194266721.db2.gz ACOLLADWMVHJIY-SECBINFHSA-N 1 0 318.368 1.897 10 0 DDAERO C[C@@H](C(N)=S)[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000109471129 194267058 /nfs/dbraw/zinc/26/70/58/194267058.db2.gz ACOLLADWMVHJIY-VIFPVBQESA-N 1 0 318.368 1.897 10 0 DDAERO CC(C)(C(N)=S)[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000109471805 194267303 /nfs/dbraw/zinc/26/73/03/194267303.db2.gz CLGXYIHVXBAWEO-UHFFFAOYSA-N 1 0 321.475 1.878 10 0 DDAERO CC[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(C(N)=S)cc2)C1 ZINC000110614378 194342762 /nfs/dbraw/zinc/34/27/62/194342762.db2.gz ZFVDKJSRVZESOS-CYBMUJFWSA-N 1 0 305.447 1.321 10 0 DDAERO Cc1ccc(C(=O)NC2CC[NH+](CC(N)=S)CC2)cc1C ZINC000110826061 194362454 /nfs/dbraw/zinc/36/24/54/194362454.db2.gz CLCXNPIDZWAEES-UHFFFAOYSA-N 1 0 305.447 1.784 10 0 DDAERO O=C1CC[C@@H]([NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)CN1 ZINC000111019521 194383903 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CCC[C@]1(C(=O)Nc2ccccc2S(N)(=O)=O)CC[NH2+]C1 ZINC000062897330 184258809 /nfs/dbraw/zinc/25/88/09/184258809.db2.gz GNIOSYQQDFFXTA-AWEZNQCLSA-N 1 0 311.407 1.052 10 0 DDAERO CC[C@]1(C(=O)N[C@H](CC(=O)OC)c2cccs2)CC[NH2+]C1 ZINC000062893159 184259008 /nfs/dbraw/zinc/25/90/08/184259008.db2.gz RTCIZVXZZMRUEZ-ABAIWWIYSA-N 1 0 310.419 1.858 10 0 DDAERO CCNC(=O)COc1ccc(CC[NH3+])cc1Br ZINC000062703780 184247984 /nfs/dbraw/zinc/24/79/84/184247984.db2.gz LEDZRMXERJEUGS-UHFFFAOYSA-N 1 0 301.184 1.465 10 0 DDAERO CS(=O)(=O)CCCNC1=[NH+][C@@H](Cc2ccccc2)CS1 ZINC000063220619 184279249 /nfs/dbraw/zinc/27/92/49/184279249.db2.gz HXCJCRHDLPKCGA-ZDUSSCGKSA-N 1 0 312.460 1.725 10 0 DDAERO [NH3+]C[C@@]1(N2CCC3(CCCCC3)CC2)CCS(=O)(=O)C1 ZINC000062962778 184263078 /nfs/dbraw/zinc/26/30/78/184263078.db2.gz DIVYVTDDYYRIHJ-HNNXBMFYSA-N 1 0 300.468 1.549 10 0 DDAERO Nc1cccc(F)c1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062975724 184264315 /nfs/dbraw/zinc/26/43/15/184264315.db2.gz JPRSIZQILIABEC-LLVKDONJSA-N 1 0 313.398 1.267 10 0 DDAERO CCCN(CC[NH+](C)C)C(=O)c1cc(F)c(NN)c(F)c1 ZINC000063007803 184266073 /nfs/dbraw/zinc/26/60/73/184266073.db2.gz AYMBBBWZXJLYAK-UHFFFAOYSA-N 1 0 300.353 1.664 10 0 DDAERO C[NH2+][C@@H](C)c1ccc(OCCCS(C)(=O)=O)c(OC)c1 ZINC000063014356 184266667 /nfs/dbraw/zinc/26/66/67/184266667.db2.gz NXECJVNENFMPFB-NSHDSACASA-N 1 0 301.408 1.789 10 0 DDAERO CS(=O)(=O)c1ccc(SC[C@@H](O)C[NH2+]C2CC2)cc1 ZINC000063131396 184272200 /nfs/dbraw/zinc/27/22/00/184272200.db2.gz AYDKXTGXEKNAKM-NSHDSACASA-N 1 0 301.433 1.295 10 0 DDAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)Cc1ccccc1 ZINC000063168136 184275757 /nfs/dbraw/zinc/27/57/57/184275757.db2.gz UJHXGXZQOGKMKS-HNNXBMFYSA-N 1 0 311.451 1.437 10 0 DDAERO COCCC[N@@H+]1CC[C@@H](c2nc3c([nH]2)C(=O)NCC(C)(C)C3)C1 ZINC000065461496 184349014 /nfs/dbraw/zinc/34/90/14/184349014.db2.gz BWHKILHWSGDJBO-GFCCVEGCSA-N 1 0 320.437 1.548 10 0 DDAERO COc1cccc(CN2CCN(CCC[NH3+])CC2)c1OC(C)C ZINC000066143179 184393048 /nfs/dbraw/zinc/39/30/48/184393048.db2.gz FTJWVZWIGDOCEC-UHFFFAOYSA-N 1 0 321.465 1.949 10 0 DDAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000119692129 195017833 /nfs/dbraw/zinc/01/78/33/195017833.db2.gz KPICPLKNIMQMKP-WCQYABFASA-N 1 0 302.378 1.965 10 0 DDAERO CCc1ccc([C@@H](C)NC(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000120297140 195137365 /nfs/dbraw/zinc/13/73/65/195137365.db2.gz ONVYWTHKANXUAO-DYVFJYSZSA-N 1 0 307.438 1.922 10 0 DDAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CC[C@@H]3CCOC3=O)C2)n1 ZINC000120489742 195176109 /nfs/dbraw/zinc/17/61/09/195176109.db2.gz NAQHNYTXHMNVSN-LSDHHAIUSA-N 1 0 306.410 1.560 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(N3CCCC3)nc2)C[C@@H]1C ZINC000120608402 195201075 /nfs/dbraw/zinc/20/10/75/195201075.db2.gz JXFDRBGADLCAEF-JKSUJKDBSA-N 1 0 318.465 1.569 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(N3CCCC3)nc2)C[C@H]1C ZINC000120608257 195201602 /nfs/dbraw/zinc/20/16/02/195201602.db2.gz JXFDRBGADLCAEF-HZPDHXFCSA-N 1 0 318.465 1.569 10 0 DDAERO CCn1cc(C2CC[NH+](CCCOC(=O)NC(N)=O)CC2)cn1 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1.987 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)C[C@H]2CSCCS2)CCO1 ZINC000152084800 407559225 /nfs/dbraw/zinc/55/92/25/407559225.db2.gz JIDKAJUPVZJWEW-RYUDHWBXSA-N 1 0 304.481 1.014 10 0 DDAERO CCO[C@@H]1C[C@H]([NH2+]C[C@](C)(O)CCOC)C12CCOCC2 ZINC000186341559 286391567 /nfs/dbraw/zinc/39/15/67/286391567.db2.gz GNXGTKVUPRQYRC-RRFJBIMHSA-N 1 0 301.427 1.338 10 0 DDAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCOCCO)C[C@H]12 ZINC000186026623 407567223 /nfs/dbraw/zinc/56/72/23/407567223.db2.gz KRTYDZTYNWYBHH-HZSPNIEDSA-N 1 0 314.426 1.230 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CSc1nncs1 ZINC000068224528 406624828 /nfs/dbraw/zinc/62/48/28/406624828.db2.gz PBJCBHUXJPRZKD-SNVBAGLBSA-N 1 0 302.469 1.723 10 0 DDAERO COc1ccc(-c2ccc(N3CCC[NH2+]CC3)nn2)cc1OC ZINC000070458900 406816371 /nfs/dbraw/zinc/81/63/71/406816371.db2.gz SEJZJRNJUYCAJH-UHFFFAOYSA-N 1 0 314.389 1.961 10 0 DDAERO COc1ccc(-c2cc3c(N4CC[C@H]([NH3+])C4)nccn3n2)cc1 ZINC000070459320 406818526 /nfs/dbraw/zinc/81/85/26/406818526.db2.gz 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ZINC000185585570 407456908 /nfs/dbraw/zinc/45/69/08/407456908.db2.gz AFYGNWDWANVYSC-LBPRGKRZSA-N 1 0 307.369 1.673 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1nc(C)c(C)[nH]c1=O ZINC000253556287 407458451 /nfs/dbraw/zinc/45/84/51/407458451.db2.gz VLKCKFWXVCUYOO-OLZOCXBDSA-N 1 0 304.394 1.498 10 0 DDAERO CC(C)(C)n1cc(CN2CCN(C(=O)[C@H]3CCC[NH2+]3)CC2)cn1 ZINC000113859837 407526420 /nfs/dbraw/zinc/52/64/20/407526420.db2.gz VAYHVBXWZQKJTH-OAHLLOKOSA-N 1 0 319.453 1.034 10 0 DDAERO CCOC(=O)N1CC[C@@H](NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000185922460 407538978 /nfs/dbraw/zinc/53/89/78/407538978.db2.gz AXIQYHBXCHEZBZ-ZIAGYGMSSA-N 1 0 324.425 1.097 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)CNC(=O)OCc2ccccc2)C1 ZINC000170864441 407539664 /nfs/dbraw/zinc/53/96/64/407539664.db2.gz LVBPFZMWVNAORA-CQSZACIVSA-N 1 0 305.378 1.075 10 0 DDAERO CC[N@H+](CC(=O)N1CCC(N(C)c2cccnn2)CC1)C1CC1 ZINC000152267011 407598709 /nfs/dbraw/zinc/59/87/09/407598709.db2.gz VWLDBRSEVHYIBW-UHFFFAOYSA-N 1 0 317.437 1.388 10 0 DDAERO COc1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])C2CCOCC2)cc1F ZINC000261760018 407603988 /nfs/dbraw/zinc/60/39/88/407603988.db2.gz FGSHTPKIZCENFO-BMIGLBTASA-N 1 0 310.369 1.765 10 0 DDAERO CC[C@H](C)NC(=O)[C@@H](C)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261785417 407613788 /nfs/dbraw/zinc/61/37/88/407613788.db2.gz PSISNEQLEFCVAE-ABFRBSLYSA-N 1 0 303.450 1.964 10 0 DDAERO COCCOc1cccc(CNC(=O)[C@@H]([NH3+])C2CCOCC2)c1 ZINC000261899183 407659992 /nfs/dbraw/zinc/65/99/92/407659992.db2.gz WGMNVHKFIWHBOS-INIZCTEOSA-N 1 0 322.405 1.082 10 0 DDAERO [NH3+]CCNC(=O)[C@@H]1CCCN(c2cccc(C(F)(F)F)n2)C1 ZINC000261821843 407629385 /nfs/dbraw/zinc/62/93/85/407629385.db2.gz ASLCQFDTXYYZNJ-SNVBAGLBSA-N 1 0 316.327 1.392 10 0 DDAERO CCO[C@H]1C[C@H]([NH2+]CCN(C)CCOC)C12CCOCC2 ZINC000186310551 407635906 /nfs/dbraw/zinc/63/59/06/407635906.db2.gz KMZAAZDKAMYMQA-GJZGRUSLSA-N 1 0 300.443 1.128 10 0 DDAERO CNC(=O)[C@H]1CCCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 ZINC000114933330 407641275 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Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000171617882 407720170 /nfs/dbraw/zinc/72/01/70/407720170.db2.gz JSFZIPDOTOXGKB-HOTGVXAUSA-N 1 0 316.405 1.663 10 0 DDAERO CCc1nccn1[C@H]1CCC[N@H+](CCCC(=O)NC(N)=O)C1 ZINC000171614712 407720449 /nfs/dbraw/zinc/72/04/49/407720449.db2.gz FZTFFVPIXAMFIR-LBPRGKRZSA-N 1 0 307.398 1.058 10 0 DDAERO CC[C@H](C(=O)OC)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171631480 407727435 /nfs/dbraw/zinc/72/74/35/407727435.db2.gz SWIOCKMIWSFGDG-OAHLLOKOSA-N 1 0 308.426 1.231 10 0 DDAERO CC(=O)Nc1cccc(CNC(=O)C2(C[NH3+])CCOCC2)c1 ZINC000261900438 407663857 /nfs/dbraw/zinc/66/38/57/407663857.db2.gz HOUNVTTWUKFTTH-UHFFFAOYSA-N 1 0 305.378 1.017 10 0 DDAERO CC1CC[NH+](CCNC(=O)N2CC[C@@H](c3cnn(C)c3)C2)CC1 ZINC000116421868 407754500 /nfs/dbraw/zinc/75/45/00/407754500.db2.gz MJEGVFLGOOXPQH-OAHLLOKOSA-N 1 0 319.453 1.651 10 0 DDAERO Cn1cc([C@H]2CC[N@H+](CC(=O)N3CCc4ccccc43)C2)cn1 ZINC000116316839 407742945 /nfs/dbraw/zinc/74/29/45/407742945.db2.gz CZEPEHUONROUJK-HNNXBMFYSA-N 1 0 310.401 1.799 10 0 DDAERO C[C@@]1(C(=O)N2CCN(Cc3ccncc3)CC2)CCCC[NH2+]1 ZINC000262119383 407744788 /nfs/dbraw/zinc/74/47/88/407744788.db2.gz KNVPWINZOXDXMW-KRWDZBQOSA-N 1 0 302.422 1.258 10 0 DDAERO O=S(=O)(c1ccc2c(c1)CCC2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171771164 407765623 /nfs/dbraw/zinc/76/56/23/407765623.db2.gz RIOJFQFKEHLULL-OAHLLOKOSA-N 1 0 306.431 1.644 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(OCc2ccncc2)cc1 ZINC000262242579 407771947 /nfs/dbraw/zinc/77/19/47/407771947.db2.gz HVYLVPYYGQHUTO-OAHLLOKOSA-N 1 0 301.346 1.573 10 0 DDAERO COC[C@H]([NH3+])C(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000262238025 407773178 /nfs/dbraw/zinc/77/31/78/407773178.db2.gz HNBPWPNCRMONRX-QWHCGFSZSA-N 1 0 316.760 1.353 10 0 DDAERO CC[C@H](NC(=O)[C@H]([NH3+])COC)c1nc(C(F)(F)F)cs1 ZINC000262214690 407767862 /nfs/dbraw/zinc/76/78/62/407767862.db2.gz FFIVLIBBRMIOFU-RQJHMYQMSA-N 1 0 311.329 1.703 10 0 DDAERO Cc1cccc(O[C@@H](C)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000116792552 407780379 /nfs/dbraw/zinc/78/03/79/407780379.db2.gz YRYCIVZRGXCYBA-HOCLYGCPSA-N 1 0 306.406 1.551 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2c(Cl)nc3ccccn32)CCO1 ZINC000116791422 407781065 /nfs/dbraw/zinc/78/10/65/407781065.db2.gz FXLKMSZUPDUZRD-LLVKDONJSA-N 1 0 322.796 1.390 10 0 DDAERO CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000262274767 407781636 /nfs/dbraw/zinc/78/16/36/407781636.db2.gz JEEXDGFVFYJQGB-PRDZBNPJSA-N 1 0 300.468 1.700 10 0 DDAERO O=C(c1cnc([C@H]2CCCO2)s1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179400209 407782561 /nfs/dbraw/zinc/78/25/61/407782561.db2.gz AQEYDXYDYCAQGS-VXGBXAGGSA-N 1 0 307.419 1.915 10 0 DDAERO CCc1ccc([C@H]2C[NH2+]CCN2Cc2noc(CN)n2)cc1 ZINC000262271100 407782645 /nfs/dbraw/zinc/78/26/45/407782645.db2.gz SMARMFUTKJGTLZ-CQSZACIVSA-N 1 0 301.394 1.237 10 0 DDAERO COc1cccc(CCC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000116797751 407778875 /nfs/dbraw/zinc/77/88/75/407778875.db2.gz BENGUROBCPMRLM-INIZCTEOSA-N 1 0 306.406 1.417 10 0 DDAERO C[C@@H](NC(=O)C[C@H]1COCC[NH2+]1)c1cccc(-n2ccnc2)c1 ZINC000262304641 407791297 /nfs/dbraw/zinc/79/12/97/407791297.db2.gz CCLRFGTWPCGKBJ-HIFRSBDPSA-N 1 0 314.389 1.428 10 0 DDAERO Cc1ccc(S(=O)(=O)N2CCO[C@H](C[NH+](C)C)C2)c(F)c1 ZINC000116900642 407795816 /nfs/dbraw/zinc/79/58/16/407795816.db2.gz XTNORBITZDMHBA-GFCCVEGCSA-N 1 0 316.398 1.085 10 0 DDAERO COc1ccc(C)cc1NC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262396846 407825356 /nfs/dbraw/zinc/82/53/56/407825356.db2.gz BZGFUKBVQHCCQG-MELADBBJSA-N 1 0 303.406 1.611 10 0 DDAERO COC[C@@H]([NH2+][C@H](CC(C)C)c1nc(-c2nc[nH]n2)no1)C1CC1 ZINC000179814388 407835445 /nfs/dbraw/zinc/83/54/45/407835445.db2.gz HJHAJVBLINIILR-VXGBXAGGSA-N 1 0 320.397 1.957 10 0 DDAERO CN(CC(=O)NCCOc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000262546757 407862071 /nfs/dbraw/zinc/86/20/71/407862071.db2.gz RVEQBRYLXSWVQU-HNNXBMFYSA-N 1 0 305.422 1.256 10 0 DDAERO NC(=O)N[C@@H](CC(=O)NC1CCC([NH3+])CC1)c1cccs1 ZINC000262551788 407863581 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O[C@H]1C[NH2+]C[C@@H]1CNCc1ccc(Br)c(F)c1 ZINC000263268769 408084009 /nfs/dbraw/zinc/08/40/09/408084009.db2.gz RWENQOPJVZPDSY-CABZTGNLSA-N 1 0 303.175 1.258 10 0 DDAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cc(-c3ccco3)on2)n1 ZINC000263293543 408094069 /nfs/dbraw/zinc/09/40/69/408094069.db2.gz VZPPWEYQLMTZDI-SNVBAGLBSA-N 1 0 301.306 1.561 10 0 DDAERO C[C@H](NC(=O)C1CCCCC1)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263297418 408096071 /nfs/dbraw/zinc/09/60/71/408096071.db2.gz WOCWBCXMTUAURU-WCQYABFASA-N 1 0 321.425 1.403 10 0 DDAERO CN1CC[NH2+]C[C@@H]1c1noc(COc2ccccc2Cl)n1 ZINC000263307476 408101668 /nfs/dbraw/zinc/10/16/68/408101668.db2.gz YBNNALASONIBJM-LLVKDONJSA-N 1 0 308.769 1.878 10 0 DDAERO Cn1cncc1CCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000189856834 408123005 /nfs/dbraw/zinc/12/30/05/408123005.db2.gz CBRPZWBMOLJEDX-MRXNPFEDSA-N 1 0 300.406 1.772 10 0 DDAERO CC[C@@H]1CN(C(=O)[C@@H]2CCCc3n[nH]cc32)CC[N@@H+]1C[C@H](C)O ZINC000246113256 408143109 /nfs/dbraw/zinc/14/31/09/408143109.db2.gz QETSXMYQTXZUIO-BFHYXJOUSA-N 1 0 320.437 1.133 10 0 DDAERO c1cc(N2CCCC2)ncc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000121003507 408148552 /nfs/dbraw/zinc/14/85/52/408148552.db2.gz POIOBZPYZPGJQP-KRWDZBQOSA-N 1 0 316.449 1.588 10 0 DDAERO CCC[C@H](C(=O)NCc1ccnc(-n2ccnc2)c1)[NH+](C)C ZINC000137288519 408149661 /nfs/dbraw/zinc/14/96/61/408149661.db2.gz FWYHSFIVIVYUMK-CQSZACIVSA-N 1 0 301.394 1.614 10 0 DDAERO CCC[N@H+](CC)CCNC(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000175518192 408151742 /nfs/dbraw/zinc/15/17/42/408151742.db2.gz VKMDTFLGESCPRO-ZDUSSCGKSA-N 1 0 322.457 1.186 10 0 DDAERO CC(C)[N@@H+]1CCO[C@H](CN2CCN(Cc3cccn3C)CC2)C1 ZINC000121070158 408152881 /nfs/dbraw/zinc/15/28/81/408152881.db2.gz ZAWKYZNFTQHAJH-GOSISDBHSA-N 1 0 320.481 1.252 10 0 DDAERO CCOC(=O)CC[C@H](C)NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000121140602 408158761 /nfs/dbraw/zinc/15/87/61/408158761.db2.gz CLGAYGBQKCTGCL-UONOGXRCSA-N 1 0 313.442 1.844 10 0 DDAERO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246187753 408169985 /nfs/dbraw/zinc/16/99/85/408169985.db2.gz VATWEIKSTGAGEY-MCIONIFRSA-N 1 0 320.441 1.593 10 0 DDAERO CCn1cnnc1[C@H]1CCC[N@@H+]([C@H](C)CN2CCOCC2)C1 ZINC000246203300 408176207 /nfs/dbraw/zinc/17/62/07/408176207.db2.gz YABKMNMQUKEROS-CABCVRRESA-N 1 0 307.442 1.198 10 0 DDAERO C[C@H]1OCCC[C@H]1C(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000190437043 408245378 /nfs/dbraw/zinc/24/53/78/408245378.db2.gz RMLAYOILFXYTRK-TZMCWYRMSA-N 1 0 300.362 1.699 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(Cl)nc2)C1 ZINC000150781850 408199936 /nfs/dbraw/zinc/19/99/36/408199936.db2.gz SIBSURBSHAOATE-PWSUYJOCSA-N 1 0 324.812 1.518 10 0 DDAERO CC[C@H]1CN([C@@H](C(=O)OC)c2cccnc2)CC[N@@H+]1CCOC ZINC000246305877 408212377 /nfs/dbraw/zinc/21/23/77/408212377.db2.gz AVKGCEKENVNIAA-JKSUJKDBSA-N 1 0 321.421 1.338 10 0 DDAERO Cc1c(CNC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cnn1C ZINC000121478033 408218961 /nfs/dbraw/zinc/21/89/61/408218961.db2.gz VNSIIFHGJFCQSG-OAHLLOKOSA-N 1 0 307.442 1.648 10 0 DDAERO CC(=O)Nc1cccc(C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000246347316 408227826 /nfs/dbraw/zinc/22/78/26/408227826.db2.gz FSJRFNBZQDSGGE-KBXCAEBGSA-N 1 0 317.433 1.798 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc(C(=O)NC)c1 ZINC000176276961 408330232 /nfs/dbraw/zinc/33/02/32/408330232.db2.gz UXGZLWVXIIRXNF-OAHLLOKOSA-N 1 0 318.421 1.994 10 0 DDAERO CN(CC(=O)OC(C)(C)C)C1CC[NH+](Cc2cncnc2)CC1 ZINC000190581317 408281781 /nfs/dbraw/zinc/28/17/81/408281781.db2.gz QQWWDHGKLMXGNB-UHFFFAOYSA-N 1 0 320.437 1.715 10 0 DDAERO C[C@H]1C[N@H+](CCNC(=O)OC(C)(C)C)C[C@H]1N1CCOCC1 ZINC000246527984 408284382 /nfs/dbraw/zinc/28/43/82/408284382.db2.gz PMHHXOBNRGXECB-UONOGXRCSA-N 1 0 313.442 1.164 10 0 DDAERO C[C@H]1C[N@H+](Cc2cn3ccccc3n2)C[C@H]1N1CCOCC1 ZINC000246557664 408292259 /nfs/dbraw/zinc/29/22/59/408292259.db2.gz UQPFPXGHRCGGDI-GOEBONIOSA-N 1 0 300.406 1.487 10 0 DDAERO O[C@H](COCc1ccccc1)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000151318427 408294688 /nfs/dbraw/zinc/29/46/88/408294688.db2.gz 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Cc1ccc2c(CC(=O)NC[C@@H]3C[NH2+]C[C@@H]3O)coc2c1C ZINC000262369676 484270262 /nfs/dbraw/zinc/27/02/62/484270262.db2.gz VYOIDZLEUGLRJI-ZFWWWQNUSA-N 1 0 302.374 1.289 10 0 DDAERO C[C@@H](OCc1ccccc1)C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662985399 484585108 /nfs/dbraw/zinc/58/51/08/484585108.db2.gz XIQJMBYCGMWLDX-PWSUYJOCSA-N 1 0 304.312 1.940 10 0 DDAERO O=c1cc(C[NH+]2CCN(Cc3ccccc3F)CC2)cc[nH]1 ZINC000075552138 490591021 /nfs/dbraw/zinc/59/10/21/490591021.db2.gz NENFTXPLSXOPKV-UHFFFAOYSA-N 1 0 301.365 1.832 10 0 DDAERO C[C@@H](C[NH+]1CCCCCC1)Nc1nc2c(cnn2C)c(N)n1 ZINC000302883622 533825751 /nfs/dbraw/zinc/82/57/51/533825751.db2.gz LAOKPEBPDUSCRN-NSHDSACASA-N 1 0 303.414 1.622 10 0 DDAERO CC(C)(C(=O)N[C@H](C[NH3+])C1CC1)c1ccc2c(c1)OCCO2 ZINC000159026422 518531787 /nfs/dbraw/zinc/53/17/87/518531787.db2.gz UCXORAZOMNHJEX-CYBMUJFWSA-N 1 0 304.390 1.589 10 0 DDAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000154703273 522032955 /nfs/dbraw/zinc/03/29/55/522032955.db2.gz CGIWKFLUGAXQIR-WMZOPIPTSA-N 1 0 302.418 1.798 10 0 DDAERO COc1ccc(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cn1 ZINC000156520576 524061843 /nfs/dbraw/zinc/06/18/43/524061843.db2.gz SRPOQKVAJZNZHD-OCCSQVGLSA-N 1 0 306.410 1.618 10 0 DDAERO C[C@@H](NC(=O)[C@H]1CC[NH2+]C1)c1ccc(N2CCCC2=O)cc1 ZINC000153644817 525294307 /nfs/dbraw/zinc/29/43/07/525294307.db2.gz MLFJHFPXCLICRZ-OCCSQVGLSA-N 1 0 301.390 1.600 10 0 DDAERO CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000163908308 534849344 /nfs/dbraw/zinc/84/93/44/534849344.db2.gz JLZBJUJHMQSWHJ-CQSZACIVSA-N 1 0 319.380 1.286 10 0 DDAERO O=c1cc(CNC[C@H]2CCC[NH2+]C2)nc(-c2cccc(F)c2)[nH]1 ZINC000073696043 527479963 /nfs/dbraw/zinc/47/99/63/527479963.db2.gz PPTTZEQCDWEIES-LBPRGKRZSA-N 1 0 316.380 1.665 10 0 DDAERO O=C([C@H]1CCCOC1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105817632 696625138 /nfs/dbraw/zinc/62/51/38/696625138.db2.gz ODHMLTAIKULDLK-IRXDYDNUSA-N 1 0 318.417 1.291 10 0 DDAERO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)c1ccccc1Cl ZINC000126244823 696760535 /nfs/dbraw/zinc/76/05/35/696760535.db2.gz YJBODZGCEMYMNV-YGRLFVJLSA-N 1 0 311.813 1.617 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(CCS(C)(=O)=O)C(C)C ZINC000129723490 696791315 /nfs/dbraw/zinc/79/13/15/696791315.db2.gz LWLSIDINPGKOMH-ZDUSSCGKSA-N 1 0 321.487 1.181 10 0 DDAERO COCCN1[C@H](C)C[N@@H+](C[C@](C)(O)c2ccccc2)C[C@@H]1C ZINC000130552196 696799184 /nfs/dbraw/zinc/79/91/84/696799184.db2.gz LXXDWSZQIDZXLE-JZXOWHBKSA-N 1 0 306.450 1.935 10 0 DDAERO C[NH+](C)[C@@H]1CCN(Cn2nc(N3CCCC3)sc2=S)C1 ZINC000170842594 697350917 /nfs/dbraw/zinc/35/09/17/697350917.db2.gz DVGJZKGYJVFNHL-LLVKDONJSA-N 1 0 313.496 1.868 10 0 DDAERO C[C@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)N1CCc2ccccc21 ZINC000172305748 697366072 /nfs/dbraw/zinc/36/60/72/697366072.db2.gz WSNHXDZLQNLSIW-ZBFHGGJFSA-N 1 0 317.433 1.227 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000174091599 697384043 /nfs/dbraw/zinc/38/40/43/697384043.db2.gz OTEVHZCQUCIGSP-XJKSGUPXSA-N 1 0 314.376 1.387 10 0 DDAERO COC[C@]1(C)CC(=O)N(CN2CCC(Cn3cccn3)CC2)C1 ZINC000177147712 697409610 /nfs/dbraw/zinc/40/96/10/697409610.db2.gz HECVTODKKRZREP-QGZVFWFLSA-N 1 0 320.437 1.438 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)CN1C(=O)NC2(CCCCC2)C1=O ZINC000177162052 697410129 /nfs/dbraw/zinc/41/01/29/697410129.db2.gz RQZRVIPLPPCCBF-CQSZACIVSA-N 1 0 322.453 1.615 10 0 DDAERO C[C@@]1(C(=O)N[C@@H]2C[NH+]3CCC2CC3)CC(c2ccccc2)=NO1 ZINC000222582718 697757972 /nfs/dbraw/zinc/75/79/72/697757972.db2.gz YMMYBETXZIQRQD-AEFFLSMTSA-N 1 0 313.401 1.780 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(C[C@H](O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000247186112 698362823 /nfs/dbraw/zinc/36/28/23/698362823.db2.gz NXFYRJMJWCEGDX-XEZPLFJOSA-N 1 0 312.841 1.760 10 0 DDAERO O=c1oc(-c2ccccc2)nn1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247230569 698363422 /nfs/dbraw/zinc/36/34/22/698363422.db2.gz YKWUUIGUBPHSAT-AWEZNQCLSA-N 1 0 300.362 1.241 10 0 DDAERO CC(C)(C)OC[C@H](O)C[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000248451606 698375194 /nfs/dbraw/zinc/37/51/94/698375194.db2.gz JDIGDPNFKYAZEG-ZIAGYGMSSA-N 1 0 301.427 1.637 10 0 DDAERO CCOCC[N@@H+]1CCN(C[C@H]2CC3(CCC3)C(=O)O2)C[C@H]1CC ZINC000248910628 698383868 /nfs/dbraw/zinc/38/38/68/698383868.db2.gz XXPIZSFNWGLRHY-HZPDHXFCSA-N 1 0 324.465 1.905 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1[nH]nc2c1CCCC2 ZINC000249150246 698388307 /nfs/dbraw/zinc/38/83/07/698388307.db2.gz WSPDEFMLBPDUHZ-OLZOCXBDSA-N 1 0 302.422 1.526 10 0 DDAERO C[NH2+][C@H](C)CNC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000261673090 698431743 /nfs/dbraw/zinc/43/17/43/698431743.db2.gz GYHSRHBLRYLDMS-RISCZKNCSA-N 1 0 305.378 1.142 10 0 DDAERO [NH3+][C@H](C(=O)N1CCN(Cc2cccs2)CC1)C1CCOCC1 ZINC000262037695 698451543 /nfs/dbraw/zinc/45/15/43/698451543.db2.gz PVUACMFTQQOMSU-HNNXBMFYSA-N 1 0 323.462 1.146 10 0 DDAERO O=C(NC[C@@H]1CCCN(c2ccc(Cl)cn2)C1)[C@@H]1CCC[NH2+]1 ZINC000262135836 698456681 /nfs/dbraw/zinc/45/66/81/698456681.db2.gz LZMSEHKHQHGHSX-JSGCOSHPSA-N 1 0 322.840 1.820 10 0 DDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000262137506 698456744 /nfs/dbraw/zinc/45/67/44/698456744.db2.gz MBBZRYDWTAEPPF-BBRMVZONSA-N 1 0 305.397 1.862 10 0 DDAERO [NH3+]C1CCN(CCNc2ncc(Br)cn2)CC1 ZINC000321213635 698726306 /nfs/dbraw/zinc/72/63/06/698726306.db2.gz AHXXVCINYZWJDE-UHFFFAOYSA-N 1 0 300.204 1.074 10 0 DDAERO Cc1cc(Br)cnc1NCCN1CCC([NH3+])CC1 ZINC000321835937 698730931 /nfs/dbraw/zinc/73/09/31/698730931.db2.gz QXYCKKTUOMELNN-UHFFFAOYSA-N 1 0 313.243 1.988 10 0 DDAERO C[C@H]1CN(C(=O)c2cc(Br)cnc2F)C[C@H]1[NH3+] ZINC000700871373 699224121 /nfs/dbraw/zinc/22/41/21/699224121.db2.gz MRWSWSFGJGYFQN-IMTBSYHQSA-N 1 0 302.147 1.402 10 0 DDAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(Br)cnc1F ZINC000700852773 699223070 /nfs/dbraw/zinc/22/30/70/699223070.db2.gz PPPTYBGEHLJCQD-XCBNKYQSSA-N 1 0 316.174 1.854 10 0 DDAERO CCc1cc(NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cc[nH+]1 ZINC000702832192 699233424 /nfs/dbraw/zinc/23/34/24/699233424.db2.gz PGGOSTRDCZERNM-DOMZBBRYSA-N 1 0 321.421 1.706 10 0 DDAERO CCOC[C@H](C)[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702839402 699233754 /nfs/dbraw/zinc/23/37/54/699233754.db2.gz OLUGBXMBRQKUPR-AVGNSLFASA-N 1 0 302.415 1.229 10 0 DDAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000716718388 699283924 /nfs/dbraw/zinc/28/39/24/699283924.db2.gz WFWVGCVRYPVAKB-IKWCTNDRSA-N 1 0 311.426 1.628 10 0 DDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCOC(F)(F)C(F)(F)F ZINC000720300094 699305089 /nfs/dbraw/zinc/30/50/89/699305089.db2.gz ZSBNZVUBDQYLCG-JGVFFNPUSA-N 1 0 304.259 1.649 10 0 DDAERO CN(c1ncncc1Br)C1(C[NH3+])CCOCC1 ZINC000725001810 699329333 /nfs/dbraw/zinc/32/93/33/699329333.db2.gz MAYWNUTYBGEBSG-UHFFFAOYSA-N 1 0 301.188 1.183 10 0 DDAERO CCn1nc(C)c(CN(C)[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](OC)C2)n1 ZINC000859981855 705063062 /nfs/dbraw/zinc/06/30/62/705063062.db2.gz PGKNFSACURVSMY-OIISXLGYSA-N 1 0 321.469 1.680 10 0 DDAERO CCn1ncc(C(=O)N(C)[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](OC)C2)n1 ZINC000863422559 705925584 /nfs/dbraw/zinc/92/55/84/705925584.db2.gz CKNBJOWMIONFFM-CFVMTHIKSA-N 1 0 321.425 1.012 10 0 DDAERO CCN1C(=O)C[C@@H](C[NH2+][C@@H]2CCSC2)[C@@H]1c1nccn1C ZINC000886035030 708686180 /nfs/dbraw/zinc/68/61/80/708686180.db2.gz RSIUGTNHWHPIGF-OUCADQQQSA-N 1 0 308.451 1.425 10 0 DDAERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)C(=O)Cn2ccnc2C)C1 ZINC000886082619 708695017 /nfs/dbraw/zinc/69/50/17/708695017.db2.gz XPSGUWFKYWKSAM-XHSDSOJGSA-N 1 0 320.437 1.292 10 0 DDAERO CN1C(=O)N=NC1C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(CO)o1 ZINC000888099408 709213159 /nfs/dbraw/zinc/21/31/59/709213159.db2.gz YHIIDZDJNFYQCT-BXUZGUMPSA-N 1 0 320.393 1.497 10 0 DDAERO [NH3+]C[C@H]1C[C@H](Nc2ccc(I)cn2)C1 ZINC000900433953 709593320 /nfs/dbraw/zinc/59/33/20/709593320.db2.gz MKWQUEOOHHGFKN-XWEPSHTISA-N 1 0 303.147 1.835 10 0 DDAERO CCOC(=O)C1CCC(O)(C[N@H+](C)C[C@H]2CCC[C@H]2O)CC1 ZINC000248818901 282109381 /nfs/dbraw/zinc/10/93/81/282109381.db2.gz IFFOFEADHJRNNY-GYMHETDLSA-N 1 0 313.438 1.564 10 0 DDAERO [NH3+][C@H]1CCC2(C[C@H]1Sc1nnc3ccccn31)OCCO2 ZINC000081880964 192333864 /nfs/dbraw/zinc/33/38/64/192333864.db2.gz XMCJRBKRJPZBCK-WDEREUQCSA-N 1 0 306.391 1.444 10 0 DDAERO CN(CC[N@H+](C)CCO)Cc1sccc1Br ZINC000623091206 365650950 /nfs/dbraw/zinc/65/09/50/365650950.db2.gz UBQUZCPUGPPTRW-UHFFFAOYSA-N 1 0 307.257 1.867 10 0 DDAERO [NH3+][C@H](CS(=O)(=O)c1ccccc1Br)C1CC1 ZINC000081932255 192341048 /nfs/dbraw/zinc/34/10/48/192341048.db2.gz ZMIIMIVADVRGJW-SNVBAGLBSA-N 1 0 304.209 1.960 10 0 DDAERO C[NH2+][C@@H]1CCOC[C@H]1S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000081935941 192342900 /nfs/dbraw/zinc/34/29/00/192342900.db2.gz LZVZLJWWRBEVIL-VXGBXAGGSA-N 1 0 323.336 1.856 10 0 DDAERO Cc1ncc(CN2CC[C@@H]([NH+]3CCCCCC3)[C@H](O)C2)n1C ZINC000011662234 282151602 /nfs/dbraw/zinc/15/16/02/282151602.db2.gz MRJYKDBZZJJGRQ-IAGOWNOFSA-N 1 0 306.454 1.540 10 0 DDAERO Cc1cc(NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)no1 ZINC000079427324 185171185 /nfs/dbraw/zinc/17/11/85/185171185.db2.gz GDWNHJIACBQGGL-LBPRGKRZSA-N 1 0 308.382 1.700 10 0 DDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(Br)s1 ZINC000082559578 185190981 /nfs/dbraw/zinc/19/09/81/185190981.db2.gz BWXKPBUTIOMKGH-VXNVDRBHSA-N 1 0 303.225 1.982 10 0 DDAERO CCC[NH2+][C@@H](CS(=O)(=O)CC(=O)OC)c1ccc(C)cc1 ZINC000081976204 192347447 /nfs/dbraw/zinc/34/74/47/192347447.db2.gz LWDYGMHDLWLCFY-AWEZNQCLSA-N 1 0 313.419 1.624 10 0 DDAERO CC(C)([C@@H](O)[C@@H](C[NH3+])c1cc(F)cc(F)c1)S(C)(=O)=O ZINC000087382539 185223010 /nfs/dbraw/zinc/22/30/10/185223010.db2.gz GSJRIYVMBPFYHI-RYUDHWBXSA-N 1 0 307.362 1.191 10 0 DDAERO COc1cc([C@H](C[NH3+])[C@@H](O)C(C)(C)S(C)(=O)=O)ccc1C ZINC000087377785 185223191 /nfs/dbraw/zinc/22/31/91/185223191.db2.gz MXWWEYJTYYBBOK-GXTWGEPZSA-N 1 0 315.435 1.230 10 0 DDAERO CC(C)[C@@H](C[NH3+])NS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000087404457 185223872 /nfs/dbraw/zinc/22/38/72/185223872.db2.gz ZRUDWLXIQQHZDX-GFCCVEGCSA-N 1 0 314.407 1.110 10 0 DDAERO CCNS(=O)(=O)c1ccc(NC(=O)[C@@H](C[NH3+])C(C)C)cc1 ZINC000087520094 185227620 /nfs/dbraw/zinc/22/76/20/185227620.db2.gz WSQFAEJRSIAISE-ZDUSSCGKSA-N 1 0 313.423 1.154 10 0 DDAERO CO[C@H]1C[NH2+][C@@H](CNCc2sccc2Br)C1 ZINC000087575955 185228732 /nfs/dbraw/zinc/22/87/32/185228732.db2.gz ZVPDVXOCQXYZDN-RKDXNWHRSA-N 1 0 305.241 1.977 10 0 DDAERO [NH3+]C1CN(Cc2cc(=O)oc3cc(Br)ccc23)C1 ZINC000087590139 185229117 /nfs/dbraw/zinc/22/91/17/185229117.db2.gz YCJWVMJAIOZHSZ-UHFFFAOYSA-N 1 0 309.163 1.698 10 0 DDAERO COC(=O)c1ccc(CSc2nnc(C)n2CC[NH3+])cc1 ZINC000087714777 185230898 /nfs/dbraw/zinc/23/08/98/185230898.db2.gz NQTVFVWFXSAQFD-UHFFFAOYSA-N 1 0 306.391 1.624 10 0 DDAERO Cc1nnc(SC[C@@H]2OCCc3ccccc32)n1CC[NH3+] ZINC000087711517 185231061 /nfs/dbraw/zinc/23/10/61/185231061.db2.gz KNPDMUINMLFYGK-AWEZNQCLSA-N 1 0 304.419 1.951 10 0 DDAERO COC(=O)CS(=O)(=O)C[C@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000081976332 192347565 /nfs/dbraw/zinc/34/75/65/192347565.db2.gz HBKUVBWAOGWQMV-ZDUSSCGKSA-N 1 0 313.419 1.572 10 0 DDAERO NNc1nc(N[C@H]2C[C@H]3CC[C@@H]2O3)c(Br)c[nH+]1 ZINC000087896445 185235763 /nfs/dbraw/zinc/23/57/63/185235763.db2.gz ULRZWUOELQCDDM-DTLFHODZSA-N 1 0 300.160 1.257 10 0 DDAERO O=S(=O)(Cc1cc(Br)cs1)CC1C[NH2+]C1 ZINC000088091041 185239565 /nfs/dbraw/zinc/23/95/65/185239565.db2.gz YMDRHSIXGDMWIL-UHFFFAOYSA-N 1 0 310.238 1.645 10 0 DDAERO C[C@@H]([NH3+])CS(=O)(=O)Cc1cc(F)cc(Br)c1 ZINC000088070200 185238661 /nfs/dbraw/zinc/23/86/61/185238661.db2.gz IXGSRVSYEBVEOJ-SSDOTTSWSA-N 1 0 310.188 1.850 10 0 DDAERO CCc1nn(C)c(C[S@@](=O)C[C@@H](C)[NH3+])c1Br ZINC000088069236 185238749 /nfs/dbraw/zinc/23/87/49/185238749.db2.gz VVAMANNKQCHRCO-VGDKGRGNSA-N 1 0 308.245 1.341 10 0 DDAERO Cc1ncc(CNc2nc(NN)[nH+]cc2Br)s1 ZINC000087865886 185233797 /nfs/dbraw/zinc/23/37/97/185233797.db2.gz QUTWEFQLMGDYNO-UHFFFAOYSA-N 1 0 315.200 1.902 10 0 DDAERO Cc1nn(C)c(NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1C(N)=S ZINC000088164688 185240992 /nfs/dbraw/zinc/24/09/92/185240992.db2.gz NPKWKBQQPHEHRJ-YOGCLGLASA-N 1 0 307.467 1.790 10 0 DDAERO CCc1nn(C)cc1C[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000180079236 539235285 /nfs/dbraw/zinc/23/52/85/539235285.db2.gz RYLYRZMDAFWTAE-HNNXBMFYSA-N 1 0 314.437 1.873 10 0 DDAERO C[C@H](C[NH2+][C@H](C)c1ccc2c(c1)OCCO2)CS(C)(=O)=O ZINC000181747922 539238368 /nfs/dbraw/zinc/23/83/68/539238368.db2.gz LRVVUJVVNIUIDJ-VXGBXAGGSA-N 1 0 313.419 1.789 10 0 DDAERO Cc1cc(-n2cc(I)cn2)c(C[NH3+])cn1 ZINC000088115543 185239936 /nfs/dbraw/zinc/23/99/36/185239936.db2.gz ZRUGCEFXUMKCAY-UHFFFAOYSA-N 1 0 314.130 1.639 10 0 DDAERO O=S(=O)(C[C@@H]1CCC[NH2+]1)N1CCC[C@H](C(F)(F)F)C1 ZINC000088433028 185249834 /nfs/dbraw/zinc/24/98/34/185249834.db2.gz LHKDRSHISUVYPX-UWVGGRQHSA-N 1 0 300.346 1.343 10 0 DDAERO COC(=O)[C@H](CC[NH+]1CCC(C(F)(F)F)CC1)NC1CC1 ZINC000088435416 185250375 /nfs/dbraw/zinc/25/03/75/185250375.db2.gz HPTVKFFIJBPBEM-LBPRGKRZSA-N 1 0 308.344 1.944 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CC[C@@H](COC)C2)o1 ZINC000088551386 185257306 /nfs/dbraw/zinc/25/73/06/185257306.db2.gz MTIJMQBRWCDPNA-LLVKDONJSA-N 1 0 302.396 1.046 10 0 DDAERO COc1cc(Br)c([C@@H]2COC(=[NH2+])N2)cc1OC ZINC000088532387 185254926 /nfs/dbraw/zinc/25/49/26/185254926.db2.gz PCXRKRRKOUXPCH-QMMMGPOBSA-N 1 0 301.140 1.852 10 0 DDAERO COCCCCNS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088543000 185256202 /nfs/dbraw/zinc/25/62/02/185256202.db2.gz SRGICDSGMRZIHS-UHFFFAOYSA-N 1 0 304.412 1.483 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)NC[C@H]2Cc3ccccc3O2)o1 ZINC000088542647 185256263 /nfs/dbraw/zinc/25/62/63/185256263.db2.gz IKOKGOSLRHIVLN-GFCCVEGCSA-N 1 0 308.359 1.020 10 0 DDAERO Cc1cc(C)c2c(N)c(C(=O)N[C@@H]3CC[N@@H+](C)C3)sc2n1 ZINC000088641679 185261132 /nfs/dbraw/zinc/26/11/32/185261132.db2.gz WAJLSHJCNNWVNR-SNVBAGLBSA-N 1 0 304.419 1.929 10 0 DDAERO CC[C@@H]1CN(C(=O)N[C@H](C)[C@H]2CCCO2)CC[N@@H+]1C[C@@H](C)O ZINC000248458745 539272040 /nfs/dbraw/zinc/27/20/40/539272040.db2.gz QPQYRYNYRCTBNB-KBUPBQIOSA-N 1 0 313.442 1.041 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cnn(CC2CC2)c1 ZINC000246118949 539269608 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CCN(C1C[NH2+]C1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000090291512 185289505 /nfs/dbraw/zinc/28/95/05/185289505.db2.gz FHTWQTBYGHBBLJ-UHFFFAOYSA-N 1 0 308.325 1.688 10 0 DDAERO COc1ccc([C@@H](C)NS(=O)(=O)C[C@H]2CCCC[NH2+]2)cc1 ZINC000090310742 185290528 /nfs/dbraw/zinc/29/05/28/185290528.db2.gz NFLJBGLPLVAZEB-TZMCWYRMSA-N 1 0 312.435 1.818 10 0 DDAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NS(=O)(=O)c1cc(C)sc1C ZINC000090313061 185290637 /nfs/dbraw/zinc/29/06/37/185290637.db2.gz CTUUORCVNJVXEK-UMNHJUIQSA-N 1 0 304.437 1.148 10 0 DDAERO O=C(c1ccc(Br)c(F)c1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090320869 185290826 /nfs/dbraw/zinc/29/08/26/185290826.db2.gz QRQXXHMKVZOCHV-NXEZZACHSA-N 1 0 313.170 1.880 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)/C=C/c1ccccc1 ZINC000090331623 185291367 /nfs/dbraw/zinc/29/13/67/185291367.db2.gz UOUSXABONKYQFD-NMMOIRBDSA-N 1 0 306.431 1.917 10 0 DDAERO CCOC(=O)CS(=O)(=O)[C@H](C)[C@H]([NH2+]C)c1ccc(C)cc1 ZINC000082004990 192354014 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311.451 1.501 10 0 DDAERO NS(=O)(=O)c1ccccc1N1CCCC[C@H]1C[NH2+]C1CC1 ZINC000111718931 185630230 /nfs/dbraw/zinc/63/02/30/185630230.db2.gz NLUNNUBEJNLFGK-ZDUSSCGKSA-N 1 0 309.435 1.445 10 0 DDAERO COc1ccc(Br)c(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000234945703 201910684 /nfs/dbraw/zinc/91/06/84/201910684.db2.gz FCKNXJUJUPFHPN-QPUJVOFHSA-N 1 0 313.195 1.877 10 0 DDAERO O=c1c(Br)c(C2CC[NH2+]CC2)ncn1CC(F)F ZINC000725243281 539568457 /nfs/dbraw/zinc/56/84/57/539568457.db2.gz UWBOOFAEMLMEAU-UHFFFAOYSA-N 1 0 322.153 1.738 10 0 DDAERO C[NH+](C)CC(C)(C)CNc1ccc(S(N)(=O)=O)cc1F ZINC000070207280 190872075 /nfs/dbraw/zinc/87/20/75/190872075.db2.gz WDJDDLDHWSYZSB-UHFFFAOYSA-N 1 0 303.403 1.473 10 0 DDAERO CCN(C1(C[NH3+])CCC(C)CC1)S(=O)(=O)c1c[nH]cn1 ZINC000070415187 190887202 /nfs/dbraw/zinc/88/72/02/190887202.db2.gz HYQOIIQMOJTYNN-UHFFFAOYSA-N 1 0 300.428 1.328 10 0 DDAERO CC[NH2+]Cc1nnnn1Cc1cc(Br)cs1 ZINC000070600873 190908147 /nfs/dbraw/zinc/90/81/47/190908147.db2.gz ZWXXBPHWYKJJMD-UHFFFAOYSA-N 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MGUNQFZTZUDZBY-LLVKDONJSA-N 1 0 302.378 1.687 10 0 DDAERO C[C@H]([NH3+])c1nc(CC(=O)Nc2ccccc2C(N)=O)cs1 ZINC000071695560 191009140 /nfs/dbraw/zinc/00/91/40/191009140.db2.gz IHQDSQBDGRUKAV-QMMMGPOBSA-N 1 0 304.375 1.443 10 0 DDAERO CC(C)Oc1ccc([C@H](O)CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000236745079 201989505 /nfs/dbraw/zinc/98/95/05/201989505.db2.gz NPSNONQHJIXLEY-SQWLQELKSA-N 1 0 306.406 1.751 10 0 DDAERO CCONC(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000163866611 186140314 /nfs/dbraw/zinc/14/03/14/186140314.db2.gz HFIBJRQWJNFMJL-INIZCTEOSA-N 1 0 321.421 1.683 10 0 DDAERO CO[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171900086 198004038 /nfs/dbraw/zinc/00/40/38/198004038.db2.gz LTJDXUBNFYUIPZ-HZPDHXFCSA-N 1 0 303.406 1.864 10 0 DDAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000623766208 366045032 /nfs/dbraw/zinc/04/50/32/366045032.db2.gz BZNQAASQIQYJGH-NWDGAFQWSA-N 1 0 304.159 1.828 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CCCO3)CCO1 ZINC000172340620 198081806 /nfs/dbraw/zinc/08/18/06/198081806.db2.gz CUZVRWYDEWITKT-OAHLLOKOSA-N 1 0 319.405 1.806 10 0 DDAERO CO[C@@H](C[NH3+])CN1CCN(c2ccccc2OC(C)C)CC1 ZINC000034559592 352292745 /nfs/dbraw/zinc/29/27/45/352292745.db2.gz NLAMYTBKTOBVAH-HNNXBMFYSA-N 1 0 307.438 1.570 10 0 DDAERO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)NCc1ccc(F)cc1 ZINC000172805457 198151673 /nfs/dbraw/zinc/15/16/73/198151673.db2.gz PXQOFBLYRUMZHB-MRXNPFEDSA-N 1 0 305.397 1.612 10 0 DDAERO CCCCN(C(=O)C[C@@H]1CCC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000054307779 352685977 /nfs/dbraw/zinc/68/59/77/352685977.db2.gz RQKGYQNBQRQGJO-UONOGXRCSA-N 1 0 316.467 1.192 10 0 DDAERO C[C@H](COCc1ccccc1)NC(=O)NC1CC[NH+](C)CC1 ZINC000173388887 198209050 /nfs/dbraw/zinc/20/90/50/198209050.db2.gz CBSFOKCJOVLZSV-CQSZACIVSA-N 1 0 305.422 1.985 10 0 DDAERO CC(C)OC(=O)CCN1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000173674570 198238907 /nfs/dbraw/zinc/23/89/07/198238907.db2.gz ILIUFBVKLSVTOW-QGZVFWFLSA-N 1 0 320.433 1.679 10 0 DDAERO 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C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696663 193291964 /nfs/dbraw/zinc/29/19/64/193291964.db2.gz GZHVLXOQOWWZEN-UONOGXRCSA-N 1 0 314.451 1.862 10 0 DDAERO C[NH2+][C@@H](Cc1ccccn1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093699967 193293878 /nfs/dbraw/zinc/29/38/78/193293878.db2.gz FFGACPAKCVRXNK-DZGCQCFKSA-N 1 0 311.451 1.274 10 0 DDAERO CC[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccncn1 ZINC000093700344 193293951 /nfs/dbraw/zinc/29/39/51/193293951.db2.gz MPPABMGSPSOSTG-GXTWGEPZSA-N 1 0 312.439 1.189 10 0 DDAERO CC[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCOC1 ZINC000093700556 193294746 /nfs/dbraw/zinc/29/47/46/193294746.db2.gz SOTGGXQQEFUVOB-BFHYXJOUSA-N 1 0 304.456 1.063 10 0 DDAERO CC[C@H]1C[NH2+]C(C)(C)CN1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702624 193295291 /nfs/dbraw/zinc/29/52/91/193295291.db2.gz DABJXMIAUIHVKL-KBPBESRZSA-N 1 0 317.499 1.120 10 0 DDAERO CS(=O)(=O)N1CCC[C@H](CC2(c3ccccc3)C[NH2+]C2)C1 ZINC000093703119 193295396 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CC[C@@H]([NH3+])[C@@H](c1sccc1C)N(C)CCS(C)(=O)=O ZINC000094297375 193357239 /nfs/dbraw/zinc/35/72/39/193357239.db2.gz USUWVFCJTDVTAF-NEPJUHHUSA-N 1 0 304.481 1.811 10 0 DDAERO CCC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@H](N(C)CCS(C)(=O)=O)C1 ZINC000094298073 193357283 /nfs/dbraw/zinc/35/72/83/193357283.db2.gz ULIDAZPPOWWGHU-MGPQQGTHSA-N 1 0 304.500 1.895 10 0 DDAERO Cc1nc(N(C)CCS(C)(=O)=O)sc1C[NH2+]C(C)C ZINC000094301230 193358355 /nfs/dbraw/zinc/35/83/55/193358355.db2.gz YMVQPTUBIWEGBT-UHFFFAOYSA-N 1 0 305.469 1.430 10 0 DDAERO C[NH2+]Cc1sc(N(C)CCS(C)(=O)=O)nc1C(C)C ZINC000094301208 193358607 /nfs/dbraw/zinc/35/86/07/193358607.db2.gz GFMVAHJIFCHKOG-UHFFFAOYSA-N 1 0 305.469 1.467 10 0 DDAERO CCC[NH2+][C@H]1[C@@H](S(=O)(=O)CC(=O)OCC)CCC1(C)C ZINC000094311372 193358896 /nfs/dbraw/zinc/35/88/96/193358896.db2.gz XLOLOKJTOUVUQD-AAEUAGOBSA-N 1 0 305.440 1.521 10 0 DDAERO CN(CCS(C)(=O)=O)Cc1occc1C[NH2+]C(C)(C)C ZINC000094300782 193358903 /nfs/dbraw/zinc/35/89/03/193358903.db2.gz GPGAVIUDJAVLQG-UHFFFAOYSA-N 1 0 302.440 1.644 10 0 DDAERO NC(=O)c1ccc(C(F)(F)F)nc1N1CCCC[C@H]1C[NH3+] ZINC000094337358 193361172 /nfs/dbraw/zinc/36/11/72/193361172.db2.gz YCLUVBSIHKPSSU-QMMMGPOBSA-N 1 0 302.300 1.517 10 0 DDAERO C[C@H]1CN(c2ccc(C(N)=O)c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000094342751 193362490 /nfs/dbraw/zinc/36/24/90/193362490.db2.gz BWZPWROJEYZPTM-UFBFGSQYSA-N 1 0 301.312 1.978 10 0 DDAERO C[C@H]([NH3+])Cc1cc(F)c(OC[C@@H]2CN(C)CCO2)c(F)c1 ZINC000094350139 193363293 /nfs/dbraw/zinc/36/32/93/193363293.db2.gz WWLQTYVZTLKPOX-JQWIXIFHSA-N 1 0 300.349 1.564 10 0 DDAERO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(Br)cc2N)C1 ZINC000094045053 193340870 /nfs/dbraw/zinc/34/08/70/193340870.db2.gz ZLAFFGYIWLOLCW-JTQLQIEISA-N 1 0 312.211 1.855 10 0 DDAERO COc1ccc(C[NH3+])c(O[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000094634488 193386194 /nfs/dbraw/zinc/38/61/94/193386194.db2.gz GNZHPGAHMMZIFM-ZIAGYGMSSA-N 1 0 313.419 1.889 10 0 DDAERO CC[NH2+][C@H](C1CCOCC1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642636 193388689 /nfs/dbraw/zinc/38/86/89/193388689.db2.gz FBMSVNUJPASJCY-QLFBSQMISA-N 1 0 303.468 1.995 10 0 DDAERO CC(C)[NH2+]Cc1ncnn1[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094644057 193389443 /nfs/dbraw/zinc/38/94/43/193389443.db2.gz YUQIKYGANYUZBS-NEPJUHHUSA-N 1 0 300.428 1.304 10 0 DDAERO C[C@@H]1C[C@@H]([NH3+])CN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000094550415 193378900 /nfs/dbraw/zinc/37/89/00/193378900.db2.gz UGNXSQRDTUHRGQ-RKDXNWHRSA-N 1 0 306.790 1.837 10 0 DDAERO CC[NH2+]CCCN(C)S(=O)(=O)NCc1cscc1C ZINC000094886955 193404991 /nfs/dbraw/zinc/40/49/91/193404991.db2.gz GBFHNGADWVDABV-UHFFFAOYSA-N 1 0 305.469 1.322 10 0 DDAERO CC[NH2+][C@@H]1CCOC[C@H]1S(=O)(=O)Cc1cc(C)cc(C)c1 ZINC000094719801 193393677 /nfs/dbraw/zinc/39/36/77/193393677.db2.gz NKMXMLKOIDINQR-HZPDHXFCSA-N 1 0 311.447 1.985 10 0 DDAERO C[NH2+][C@H](c1cc(C)nnc1C)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000097312853 193706737 /nfs/dbraw/zinc/70/67/37/193706737.db2.gz TUHXYQNYKVVSIE-IPYPFGDCSA-N 1 0 311.451 1.957 10 0 DDAERO C[NH+](C)CCNC(=O)c1c(O)c2c(n(C3CC3)c1=O)CCCC2 ZINC000020029580 182181143 /nfs/dbraw/zinc/18/11/43/182181143.db2.gz HXUMBJPEJMLTDI-UHFFFAOYSA-N 1 0 319.405 1.059 10 0 DDAERO CC[C@](CO)(c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000038120573 182992496 /nfs/dbraw/zinc/99/24/96/182992496.db2.gz FZFVIGQOCYDWIS-AWEZNQCLSA-N 1 0 313.239 1.952 10 0 DDAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000040630271 183110405 /nfs/dbraw/zinc/11/04/05/183110405.db2.gz SEQQGPMDCSUJNS-BDAKNGLRSA-N 1 0 300.261 1.324 10 0 DDAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(Br)cc2F)C1 ZINC000040630116 183110792 /nfs/dbraw/zinc/11/07/92/183110792.db2.gz ZEUABZPTGAVWPM-LDYMZIIASA-N 1 0 317.158 1.904 10 0 DDAERO CC[C@@H](C)[NH2+]CC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000040855787 183143310 /nfs/dbraw/zinc/14/33/10/183143310.db2.gz MBFPMBHHDDLZAM-NEPJUHHUSA-N 1 0 312.435 1.655 10 0 DDAERO CN1CCN(Nc2[nH+]cnc(Oc3ccccc3)c2N)CC1 ZINC000040756976 183129620 /nfs/dbraw/zinc/12/96/20/183129620.db2.gz VDHFQKSIUORYME-UHFFFAOYSA-N 1 0 300.366 1.425 10 0 DDAERO Nc1cc(N)[nH+]c(SCC(=O)Nc2ccc(F)c(N)c2)n1 ZINC000041023416 183156566 /nfs/dbraw/zinc/15/65/66/183156566.db2.gz UHEYEHYKYGYQGW-UHFFFAOYSA-N 1 0 308.342 1.093 10 0 DDAERO CN(C)C(=O)COc1c(Br)cccc1CC[NH3+] ZINC000042412701 183265948 /nfs/dbraw/zinc/26/59/48/183265948.db2.gz SEGRJRPZKMGUHQ-UHFFFAOYSA-N 1 0 301.184 1.417 10 0 DDAERO CO[C@@H]1C[NH2+][C@H](C(=O)NCc2ccccc2Br)C1 ZINC000042419475 183267622 /nfs/dbraw/zinc/26/76/22/183267622.db2.gz BDAZPWBNWYEIKW-JQWIXIFHSA-N 1 0 313.195 1.442 10 0 DDAERO [NH3+]CC1(N(Cc2ccsc2)C2CC2)CCS(=O)(=O)CC1 ZINC000042332522 183255573 /nfs/dbraw/zinc/25/55/73/183255573.db2.gz QRGZHFYZRQQTQD-UHFFFAOYSA-N 1 0 314.476 1.619 10 0 DDAERO COCCN([C@H](C)COC)[C@@H](C[NH3+])c1cc(F)ccc1F ZINC000042602973 183290471 /nfs/dbraw/zinc/29/04/71/183290471.db2.gz FMJHLPAMQJATNH-ABAIWWIYSA-N 1 0 302.365 1.948 10 0 DDAERO Cn1nnnc1S[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042958667 183323760 /nfs/dbraw/zinc/32/37/60/183323760.db2.gz VBQSLQDKUPUBOB-SECBINFHSA-N 1 0 314.212 1.765 10 0 DDAERO C[C@H]([NH3+])[C@@H](c1ccccc1Cl)N1CCS(=O)(=O)CC1 ZINC000043051544 183332611 /nfs/dbraw/zinc/33/26/11/183332611.db2.gz LPZNNFQAQKSKLB-GWCFXTLKSA-N 1 0 302.827 1.459 10 0 DDAERO CC[C@H]([NH3+])[C@H](c1ccc(C)s1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043241144 183346045 /nfs/dbraw/zinc/34/60/45/183346045.db2.gz ABQIUBVHPKGJQC-MBNYWOFBSA-N 1 0 316.492 1.954 10 0 DDAERO [NH3+][C@@H](c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043299795 183351666 /nfs/dbraw/zinc/35/16/66/183351666.db2.gz MNRPVXKLJWKDAI-ONGXEEELSA-N 1 0 304.209 1.884 10 0 DDAERO C[C@H]([NH3+])[C@@H](c1ccncc1)N1CCN(c2nccs2)CC1 ZINC000043353126 183356560 /nfs/dbraw/zinc/35/65/60/183356560.db2.gz YMWKCWZXICQISP-JSGCOSHPSA-N 1 0 303.435 1.749 10 0 DDAERO CCS(=O)(=O)CCOc1ccccc1N1CCC[NH2+]CC1 ZINC000043461541 183365154 /nfs/dbraw/zinc/36/51/54/183365154.db2.gz VYZXTOFLGLLCDQ-UHFFFAOYSA-N 1 0 312.435 1.300 10 0 DDAERO C[N@@H+]1CC[C@@H](CNc2nc3c(cc2C(N)=S)CCCC3)C1 ZINC000043410887 183360119 /nfs/dbraw/zinc/36/01/19/183360119.db2.gz JWOFVRKTXXWJNV-NSHDSACASA-N 1 0 304.463 1.958 10 0 DDAERO Cc1cccc(OC[C@H](C)NC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000104791315 194040273 /nfs/dbraw/zinc/04/02/73/194040273.db2.gz GEXFORBTOZXYOS-HOCLYGCPSA-N 1 0 321.421 1.392 10 0 DDAERO NC(=O)c1cccc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000105131372 194077618 /nfs/dbraw/zinc/07/76/18/194077618.db2.gz RIHNLIHBHDYUJM-OAHLLOKOSA-N 1 0 316.405 1.165 10 0 DDAERO COc1cc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)ccc1O ZINC000105107993 194074972 /nfs/dbraw/zinc/07/49/72/194074972.db2.gz SUMQWNHODVOSMK-CQSZACIVSA-N 1 0 319.405 1.781 10 0 DDAERO COc1cccc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)n1 ZINC000105211551 194084821 /nfs/dbraw/zinc/08/48/21/194084821.db2.gz PHLUXPCNSJVHEQ-AWEZNQCLSA-N 1 0 304.394 1.470 10 0 DDAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000105620744 194115196 /nfs/dbraw/zinc/11/51/96/194115196.db2.gz NCQGHIZUIJEYPP-MRVPVSSYSA-N 1 0 308.325 1.429 10 0 DDAERO CCOc1ccc(OCCN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000105821122 194136611 /nfs/dbraw/zinc/13/66/11/194136611.db2.gz LDIQMJHXKCYNBO-HZPDHXFCSA-N 1 0 322.449 1.851 10 0 DDAERO CC[C@@H]1CN(Cc2cc(C(=O)OC)c(C)o2)CC[N@@H+]1C[C@@H](C)O ZINC000105825055 194138486 /nfs/dbraw/zinc/13/84/86/194138486.db2.gz WDDZUQYQLKYNGI-TZMCWYRMSA-N 1 0 324.421 1.652 10 0 DDAERO CCOCC[N@@H+]1CCN(CC(=O)NCc2ccco2)C[C@@H]1CC ZINC000105837675 194144825 /nfs/dbraw/zinc/14/48/25/194144825.db2.gz CNRXVYUZRYOBBM-HNNXBMFYSA-N 1 0 323.437 1.329 10 0 DDAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H]1CCc2nc(CC)nn2C1 ZINC000105873271 194152597 /nfs/dbraw/zinc/15/25/97/194152597.db2.gz RBRMMEZEWUDTAO-YNEHKIRRSA-N 1 0 307.442 1.438 10 0 DDAERO COCCN1CC[N@H+](C[C@H](O)COCc2ccccc2)C[C@H]1C ZINC000105902855 194167044 /nfs/dbraw/zinc/16/70/44/194167044.db2.gz PZBXNKOHQSSCAB-AEFFLSMTSA-N 1 0 322.449 1.217 10 0 DDAERO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000105932612 194173686 /nfs/dbraw/zinc/17/36/86/194173686.db2.gz MJDKMLISTHLNPJ-HUUCEWRRSA-N 1 0 305.422 1.551 10 0 DDAERO Cc1nnc(N2CC[NH+](CC(N)=S)CC2)c2ccccc12 ZINC000109442880 194263434 /nfs/dbraw/zinc/26/34/34/194263434.db2.gz IKEMYCRICDPOHK-UHFFFAOYSA-N 1 0 301.419 1.346 10 0 DDAERO CCC[C@H](C[NH3+])N1CCN(c2ncnc3sccc32)CC1 ZINC000109455983 194264744 /nfs/dbraw/zinc/26/47/44/194264744.db2.gz KXNDRYTVXRBIGL-GFCCVEGCSA-N 1 0 305.451 1.941 10 0 DDAERO Cc1ccc(C(=O)N2CC[NH+](C(C)(C)C(N)=S)CC2)cn1 ZINC000109465357 194266156 /nfs/dbraw/zinc/26/61/56/194266156.db2.gz RBWKRJBESNOSNC-UHFFFAOYSA-N 1 0 306.435 1.213 10 0 DDAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H]2CCCOC2)cc1 ZINC000109550697 194272886 /nfs/dbraw/zinc/27/28/86/194272886.db2.gz BAMUXVNDNRLHBI-CQSZACIVSA-N 1 0 312.435 1.644 10 0 DDAERO COc1cc(Cl)ccc1-c1nc(CN2CC[NH2+]CC2)no1 ZINC000109473523 194268532 /nfs/dbraw/zinc/26/85/32/194268532.db2.gz CZOBTTJMJZDXHG-UHFFFAOYSA-N 1 0 308.769 1.804 10 0 DDAERO C[C@@H]1Cc2ccccc2N(C2(C[NH3+])CCS(=O)(=O)CC2)C1 ZINC000110027754 194303681 /nfs/dbraw/zinc/30/36/81/194303681.db2.gz UDAAKBGENWRVSG-CYBMUJFWSA-N 1 0 308.447 1.591 10 0 DDAERO C[C@@H]([NH2+]CCN1CCN(c2nccs2)CC1)[C@H]1CCCO1 ZINC000053345446 183899478 /nfs/dbraw/zinc/89/94/78/183899478.db2.gz IKLZHHIIGNBOML-ZIAGYGMSSA-N 1 0 310.467 1.422 10 0 DDAERO CC[NH2+]C[C@H]1CCCN1c1ccccc1S(=O)(=O)N(C)C ZINC000053696773 183910172 /nfs/dbraw/zinc/91/01/72/183910172.db2.gz KLCYMEHQYZSIMK-CYBMUJFWSA-N 1 0 311.451 1.515 10 0 DDAERO C[NH+](C)CCCOc1cccc(NC(=O)[C@@H]2CNC(=O)C2)c1 ZINC000110490118 194334317 /nfs/dbraw/zinc/33/43/17/194334317.db2.gz HNUFUPLGMKGBCA-LBPRGKRZSA-N 1 0 305.378 1.092 10 0 DDAERO CC[C@@H]1CN(S(=O)(=O)c2ccc([C@@H](C)[NH3+])cc2)CCN1C ZINC000110763489 194356200 /nfs/dbraw/zinc/35/62/00/194356200.db2.gz RKCFREXPVAXBRM-TZMCWYRMSA-N 1 0 311.451 1.421 10 0 DDAERO CCC[NH2+][C@H](CCN1CCS(=O)(=O)CC1)c1ccccc1 ZINC000053933518 183916226 /nfs/dbraw/zinc/91/62/26/183916226.db2.gz PLXICAAJNZDCRB-MRXNPFEDSA-N 1 0 310.463 1.848 10 0 DDAERO CCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)N(C)Cc1ccccc1 ZINC000110941496 194372747 /nfs/dbraw/zinc/37/27/47/194372747.db2.gz NFGVGFMXSUAGNU-OAHLLOKOSA-N 1 0 311.451 1.437 10 0 DDAERO CCC(=O)c1cccc(S(=O)(=O)N(C)CCC[NH+](C)C)c1 ZINC000111141230 194394400 /nfs/dbraw/zinc/39/44/00/194394400.db2.gz YALFNRLZKSHYGP-UHFFFAOYSA-N 1 0 312.435 1.852 10 0 DDAERO CCN[C@](C)(CCCC[N@H+](C)CCN(C)C)C(=O)OCC ZINC000111144629 194395953 /nfs/dbraw/zinc/39/59/53/194395953.db2.gz DJJHXAIXCZNXHW-MRXNPFEDSA-N 1 0 301.475 1.581 10 0 DDAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 ZINC000061292927 184167688 /nfs/dbraw/zinc/16/76/88/184167688.db2.gz IDJAFRJZJCUYIU-UHFFFAOYSA-N 1 0 317.386 1.524 10 0 DDAERO CCOC(=O)COC[C@H]([NH3+])c1cc(OC)c(OC)cc1F ZINC000061561801 184174722 /nfs/dbraw/zinc/17/47/22/184174722.db2.gz IYGHOUKQMJNMQV-NSHDSACASA-N 1 0 301.314 1.422 10 0 DDAERO CCOC(=O)[C@](C)(CCC[N@@H+]1CCCOCC1)NC(C)C ZINC000061933490 184197028 /nfs/dbraw/zinc/19/70/28/184197028.db2.gz HLZJZDGEPCCLTQ-INIZCTEOSA-N 1 0 300.443 1.809 10 0 DDAERO CCC[NH2+][C@@H]1CCC2(C[C@@H]1N(C)CCCOC)OCCO2 ZINC000062031288 184202208 /nfs/dbraw/zinc/20/22/08/184202208.db2.gz KCCBIYWNOWMRQI-CABCVRRESA-N 1 0 300.443 1.619 10 0 DDAERO CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[NH+](C)C ZINC000062065913 184203838 /nfs/dbraw/zinc/20/38/38/184203838.db2.gz HSTSFEVWNFNNOH-NEPJUHHUSA-N 1 0 301.431 1.604 10 0 DDAERO C[C@@H](CNC(=O)[C@H]1CCC(=O)N1c1ccccc1)[NH+]1CCCC1 ZINC000062348292 184231491 /nfs/dbraw/zinc/23/14/91/184231491.db2.gz CTYNIJYPOLFAEF-GOEBONIOSA-N 1 0 315.417 1.783 10 0 DDAERO CC[C@H](Oc1ccc(C[C@@H](C)[NH3+])cc1Br)C(N)=O ZINC000062704019 184248679 /nfs/dbraw/zinc/24/86/79/184248679.db2.gz BHJNKDSOLRTJRX-KCJUWKMLSA-N 1 0 315.211 1.982 10 0 DDAERO CCC[NH2+][C@H]1COc2cc(OCCS(=O)(=O)CC)ccc21 ZINC000062805104 184253562 /nfs/dbraw/zinc/25/35/62/184253562.db2.gz NGOZDRDNSUKZAW-AWEZNQCLSA-N 1 0 313.419 1.933 10 0 DDAERO CCC[C@]1(C(=O)N(CCCOC)CCOC)CCC[NH2+]C1 ZINC000062857880 184256970 /nfs/dbraw/zinc/25/69/70/184256970.db2.gz RXTDLPWVVAHWAP-INIZCTEOSA-N 1 0 300.443 1.668 10 0 DDAERO C[C@H]1CN(C(=O)[C@@H]2CCCO2)CC[N@@H+]1CCc1ccccc1 ZINC000062691027 184247503 /nfs/dbraw/zinc/24/75/03/184247503.db2.gz FSCKMVALTSLMDH-RDJZCZTQSA-N 1 0 302.418 1.941 10 0 DDAERO COc1ccc(S(=O)(=O)N[C@@H]2CCCCC[C@@H]2[NH3+])cc1F ZINC000063213357 184278483 /nfs/dbraw/zinc/27/84/83/184278483.db2.gz CGWUNUDAXMTTNF-QWHCGFSZSA-N 1 0 316.398 1.773 10 0 DDAERO CC[C@H](O)c1cccc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000062983761 184264719 /nfs/dbraw/zinc/26/47/19/184264719.db2.gz GEUMMXUKOBHKLV-ZFWWWQNUSA-N 1 0 312.435 1.455 10 0 DDAERO CCCNc1cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)ccn1 ZINC000062984612 184264944 /nfs/dbraw/zinc/26/49/44/184264944.db2.gz VPIGBYXOWOBBTC-LBPRGKRZSA-N 1 0 312.439 1.228 10 0 DDAERO CCCNc1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000062984587 184265138 /nfs/dbraw/zinc/26/51/38/184265138.db2.gz XWCKEOOCGOBBFD-GFCCVEGCSA-N 1 0 312.439 1.228 10 0 DDAERO Cc1cc(Br)ccc1OCC(=O)N1CC[NH2+]CC1 ZINC000063061996 184268910 /nfs/dbraw/zinc/26/89/10/184268910.db2.gz UYIPEXBLBYUCCV-UHFFFAOYSA-N 1 0 313.195 1.568 10 0 DDAERO Cc1ccc(N)c(C)c1S(=O)(=O)N(C)CC[NH+]1CCCC1 ZINC000063051383 184268915 /nfs/dbraw/zinc/26/89/15/184268915.db2.gz AKHXLEBQXGMVNT-UHFFFAOYSA-N 1 0 311.451 1.602 10 0 DDAERO C[NH2+]C[C@H]1CCCCN1C(=O)c1cc(Br)c[nH]1 ZINC000063167504 184275698 /nfs/dbraw/zinc/27/56/98/184275698.db2.gz NORLJIUSVVUVOR-SNVBAGLBSA-N 1 0 300.200 1.991 10 0 DDAERO CCOC(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000063175328 184276079 /nfs/dbraw/zinc/27/60/79/184276079.db2.gz VUODYAMJWZVEFY-OLZOCXBDSA-N 1 0 312.391 1.021 10 0 DDAERO COc1cc(C)c(S(=O)(=O)N[C@@H]2CCC[C@H]2[NH3+])cc1OC ZINC000063175643 184276568 /nfs/dbraw/zinc/27/65/68/184276568.db2.gz MEUKAOANFOUDOY-GHMZBOCLSA-N 1 0 314.407 1.170 10 0 DDAERO CCCC[NH2+]CC(=O)Nc1cccc(C(=O)NCCOC)c1 ZINC000066213931 184397180 /nfs/dbraw/zinc/39/71/80/184397180.db2.gz PWOXXVBQVYEYLG-UHFFFAOYSA-N 1 0 307.394 1.391 10 0 DDAERO Cc1nccn1C[C@H](C)CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000119661610 195012709 /nfs/dbraw/zinc/01/27/09/195012709.db2.gz PJAFOSFHWWPQFE-YCPHGPKFSA-N 1 0 321.469 1.856 10 0 DDAERO CC(=O)N1CCC(CNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000119919741 195062751 /nfs/dbraw/zinc/06/27/51/195062751.db2.gz BIJVYOGZMTYEJD-CJNGLKHVSA-N 1 0 324.469 1.273 10 0 DDAERO CC[C@@H]1CN(Cc2cc(OC)cc(OC)c2)CC[N@@H+]1C[C@@H](C)O ZINC000120716750 195222882 /nfs/dbraw/zinc/22/28/82/195222882.db2.gz OKYSNHCHMLQRSY-GDBMZVCRSA-N 1 0 322.449 1.981 10 0 DDAERO CN(C)C(=O)COC[C@]12CCC[C@H]1C[N@H+](Cc1cccnc1)C2 ZINC000247990260 257111465 /nfs/dbraw/zinc/11/14/65/257111465.db2.gz LJPRWBJIAZYTDH-FUHWJXTLSA-N 1 0 317.433 1.789 10 0 DDAERO COCCNC(=O)[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2cccs2)O1 ZINC000247835464 257116209 /nfs/dbraw/zinc/11/62/09/257116209.db2.gz IYKHOZRQGCJVKE-KKUMJFAQSA-N 1 0 324.446 1.633 10 0 DDAERO CCC[NH+]1CCC(C(=O)Nc2cccc(C(N)=O)c2N)CC1 ZINC000255988133 257104576 /nfs/dbraw/zinc/10/45/76/257104576.db2.gz MONHJRNAKAPLLN-UHFFFAOYSA-N 1 0 304.394 1.428 10 0 DDAERO Fc1cnc(N2C[C@@H]3CCCO[C@@H]3[C@@H]([NH+]3CCCC3)C2)nc1 ZINC000503718380 257208672 /nfs/dbraw/zinc/20/86/72/257208672.db2.gz SNHBYZWRGQSABL-QEJZJMRPSA-N 1 0 306.385 1.695 10 0 DDAERO CCOC(=O)CCN(C)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000171613937 285704824 /nfs/dbraw/zinc/70/48/24/285704824.db2.gz KRSCJJWDPDNWLL-HNNXBMFYSA-N 1 0 306.406 1.571 10 0 DDAERO C[C@@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[C@@H](C)O1 ZINC000068367906 406637024 /nfs/dbraw/zinc/63/70/24/406637024.db2.gz YMNJUGXOBQXXAR-ZIAGYGMSSA-N 1 0 318.421 1.083 10 0 DDAERO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000076107074 406956295 /nfs/dbraw/zinc/95/62/95/406956295.db2.gz XSSHSQYZIKNIAM-KGLIPLIRSA-N 1 0 305.378 1.030 10 0 DDAERO C[N@H+](CCn1ccnc1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000122660478 407307734 /nfs/dbraw/zinc/30/77/34/407307734.db2.gz BKRWXYIVPJUEAD-HNNXBMFYSA-N 1 0 320.462 1.950 10 0 DDAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1ccc2c(c1)COC2 ZINC000124060140 407346949 /nfs/dbraw/zinc/34/69/49/407346949.db2.gz HLHCFVJQVVRVER-INIZCTEOSA-N 1 0 319.405 1.685 10 0 DDAERO O[C@H](CN1CC[NH+](CCC2OCCO2)CC1)c1ccccc1 ZINC000124172234 407350061 /nfs/dbraw/zinc/35/00/61/407350061.db2.gz MRHKAIXXEXISLM-MRXNPFEDSA-N 1 0 306.406 1.101 10 0 DDAERO Cc1nn(C)c(CN2CC[C@H](CCO)C2)c1Br ZINC000124273441 407353342 /nfs/dbraw/zinc/35/33/42/407353342.db2.gz MSCBFVVONIRLFX-SNVBAGLBSA-N 1 0 302.216 1.695 10 0 DDAERO CC(C)OC[C@@H](O)C[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000105903287 407357653 /nfs/dbraw/zinc/35/76/53/407357653.db2.gz UHWMVYGYFYUHSA-KRWDZBQOSA-N 1 0 324.469 1.065 10 0 DDAERO COC(=O)N[C@@H](C(=O)NCc1ccccc1C[NH+](C)C)C(C)C ZINC000108254936 407382658 /nfs/dbraw/zinc/38/26/58/407382658.db2.gz PHKGEQGJOOKUJP-OAHLLOKOSA-N 1 0 321.421 1.745 10 0 DDAERO CS[C@H](C)C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000109292281 407396995 /nfs/dbraw/zinc/39/69/95/407396995.db2.gz CKDKALIQVXNJNG-CYBMUJFWSA-N 1 0 310.467 1.557 10 0 DDAERO O=C(C[NH+]1CCC(Cn2cccn2)CC1)NCc1cccnc1 ZINC000111229231 407401774 /nfs/dbraw/zinc/40/17/74/407401774.db2.gz VMXNSJDMFYSUDJ-UHFFFAOYSA-N 1 0 313.405 1.307 10 0 DDAERO CCn1cc(C[NH2+]C[C@@H]2CCCN2c2cc(NC)ncn2)cn1 ZINC000112098958 407421509 /nfs/dbraw/zinc/42/15/09/407421509.db2.gz UGUUQANAVFFJND-AWEZNQCLSA-N 1 0 315.425 1.493 10 0 DDAERO CC(C)c1nn(C)c(N2CCOCC2)c1C[NH2+]CC1(C)COC1 ZINC000112711942 407436899 /nfs/dbraw/zinc/43/68/99/407436899.db2.gz OIOUANYPGXQHIA-UHFFFAOYSA-N 1 0 322.453 1.506 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCCOc1ccccc1 ZINC000113271947 407488022 /nfs/dbraw/zinc/48/80/22/407488022.db2.gz MCFFTXDXZDOOQL-HZPDHXFCSA-N 1 0 317.433 1.350 10 0 DDAERO Cc1ccccc1C(=O)NCC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113444983 407503769 /nfs/dbraw/zinc/50/37/69/407503769.db2.gz JSSPJIACSGYHFE-LSDHHAIUSA-N 1 0 315.417 1.420 10 0 DDAERO Cc1cc(C)cc(OCCNC(=O)[C@@H]([NH3+])C2CCOCC2)c1 ZINC000261668648 407572785 /nfs/dbraw/zinc/57/27/85/407572785.db2.gz ACIINBYOZKBMAS-INIZCTEOSA-N 1 0 306.406 1.552 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)c1ccccc1OC ZINC000186095173 407574444 /nfs/dbraw/zinc/57/44/44/407574444.db2.gz IEOLBBILOIRIOU-ZDUSSCGKSA-N 1 0 304.390 1.821 10 0 DDAERO Cc1nc(Cc2noc(-c3ccn([C@H]4CCC[NH2+]C4)n3)n2)no1 ZINC000261693103 407580125 /nfs/dbraw/zinc/58/01/25/407580125.db2.gz IPQGSESSRJUQTF-JTQLQIEISA-N 1 0 315.337 1.140 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccccc2SCC(N)=O)C1 ZINC000170826769 407517127 /nfs/dbraw/zinc/51/71/27/407517127.db2.gz FIPGLOURPPRGIU-LLVKDONJSA-N 1 0 322.434 1.432 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1nccn1C(F)F ZINC000113611304 407519325 /nfs/dbraw/zinc/51/93/25/407519325.db2.gz PGCYHGHKMJFEHB-WDEREUQCSA-N 1 0 313.352 1.656 10 0 DDAERO CCC[C@@H](C(=O)N[C@H](C)C(=O)NCc1ccccc1)[NH+](C)C ZINC000178652408 407531946 /nfs/dbraw/zinc/53/19/46/407531946.db2.gz LDKAFBARETVJLS-HIFRSBDPSA-N 1 0 305.422 1.538 10 0 DDAERO [NH3+]C1(C(=O)N2CCC(c3ccc(O)cc3)CC2)CCOCC1 ZINC000261758310 407603029 /nfs/dbraw/zinc/60/30/29/407603029.db2.gz FQPSJQSVDPZHKS-UHFFFAOYSA-N 1 0 304.390 1.606 10 0 DDAERO O=C1CCCN1C[C@H](O)C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186216105 407610901 /nfs/dbraw/zinc/61/09/01/407610901.db2.gz HNLFGEITZIIIMK-OAHLLOKOSA-N 1 0 300.402 1.517 10 0 DDAERO [NH3+]C1(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)CCOCC1 ZINC000261799591 407620060 /nfs/dbraw/zinc/62/00/60/407620060.db2.gz ISYFGLBEDSGTQS-UHFFFAOYSA-N 1 0 322.380 1.703 10 0 DDAERO O=C(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)N1CCCCCC1 ZINC000261867168 407647066 /nfs/dbraw/zinc/64/70/66/407647066.db2.gz CRRBXKGRRUFMHB-ZACQAIPSSA-N 1 0 323.481 1.526 10 0 DDAERO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cn1 ZINC000261924701 407675396 /nfs/dbraw/zinc/67/53/96/407675396.db2.gz KVFJBNSKXRYZCQ-OAGGEKHMSA-N 1 0 304.438 1.394 10 0 DDAERO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171639806 407729415 /nfs/dbraw/zinc/72/94/15/407729415.db2.gz UGDLBVOEXRBLLU-WMLDXEAASA-N 1 0 319.424 1.953 10 0 DDAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C[C@@]2(O)CCOC2)C1 ZINC000179027017 407695913 /nfs/dbraw/zinc/69/59/13/407695913.db2.gz IWQODHAAMHCONH-CJNGLKHVSA-N 1 0 314.426 1.375 10 0 DDAERO O=C(/C=C/c1cnc2ccccc2n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171584684 407710440 /nfs/dbraw/zinc/71/04/40/407710440.db2.gz OQLGJVPEOHZUIA-MVGZEHJDSA-N 1 0 308.385 1.950 10 0 DDAERO COC(=O)COc1c(C)cc(CN2C[C@H](C)[C@H]([NH3+])C2)cc1C ZINC000262023768 407714126 /nfs/dbraw/zinc/71/41/26/407714126.db2.gz NKSAPXACXXJDSN-DZGCQCFKSA-N 1 0 306.406 1.634 10 0 DDAERO O[C@@H](C[N@@H+]1CCC[C@H](n2cncn2)C1)c1cc(F)ccc1F ZINC000171619397 407719090 /nfs/dbraw/zinc/71/90/90/407719090.db2.gz BTPLALGUADSLJH-WFASDCNBSA-N 1 0 308.332 1.927 10 0 DDAERO [NH3+]CCC(=O)Nc1ncc(Br)nc1Br ZINC000236239888 407725297 /nfs/dbraw/zinc/72/52/97/407725297.db2.gz FMQZQDBDBXOXPB-UHFFFAOYSA-N 1 0 323.976 1.289 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCCc1cnn(C)c1 ZINC000171332832 407661790 /nfs/dbraw/zinc/66/17/90/407661790.db2.gz BNNMUSKVEJUZIX-OAHLLOKOSA-N 1 0 309.458 1.628 10 0 DDAERO C[Si](C)(C)C[NH+]1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000171746603 407757276 /nfs/dbraw/zinc/75/72/76/407757276.db2.gz DWZCMOGXTKZPEP-INIZCTEOSA-N 1 0 322.525 1.921 10 0 DDAERO O=C(c1ccc(OCC(F)F)nc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179133833 407732130 /nfs/dbraw/zinc/73/21/30/407732130.db2.gz AXXCTSAWRNWJLL-GFCCVEGCSA-N 1 0 311.332 1.646 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC1=NS(=O)(=O)c2ccccc21 ZINC000131470408 407735815 /nfs/dbraw/zinc/73/58/15/407735815.db2.gz JGKVIJKSCJTFAD-CYBMUJFWSA-N 1 0 321.446 1.846 10 0 DDAERO CCC[C@H](C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1)[NH+](C)C ZINC000179149346 407736562 /nfs/dbraw/zinc/73/65/62/407736562.db2.gz DCLBHIDPOZTUHA-CHWSQXEVSA-N 1 0 307.442 1.563 10 0 DDAERO Cn1cc([C@H]2CC[N@H+](CC(=O)N3CCc4ccccc4C3)C2)cn1 ZINC000116321915 407742844 /nfs/dbraw/zinc/74/28/44/407742844.db2.gz 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CC1(CNc2ccc3nnc(C(F)(F)F)n3n2)CC[NH2+]CC1 ZINC000262564200 407867761 /nfs/dbraw/zinc/86/77/61/407867761.db2.gz WGFWXIVKXRTKCE-UHFFFAOYSA-N 1 0 314.315 1.945 10 0 DDAERO CCOC(=O)CCCNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000133798699 407871964 /nfs/dbraw/zinc/87/19/64/407871964.db2.gz ILIKEAYSNVCXRW-CQSZACIVSA-N 1 0 313.442 1.749 10 0 DDAERO CCCC[C@H](C[NH3+])NC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000262607460 407880240 /nfs/dbraw/zinc/88/02/40/407880240.db2.gz SQPVUBMLUBMFCM-TZMCWYRMSA-N 1 0 306.410 1.830 10 0 DDAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000262836535 407953738 /nfs/dbraw/zinc/95/37/38/407953738.db2.gz IKORDOWLYLUGEE-MBNYWOFBSA-N 1 0 304.394 1.453 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1nc(C)no1 ZINC000174563409 407964934 /nfs/dbraw/zinc/96/49/34/407964934.db2.gz WBOLQYYXXZEMEJ-CHWSQXEVSA-N 1 0 307.398 1.189 10 0 DDAERO CNC(=O)c1cccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000119005150 407974126 /nfs/dbraw/zinc/97/41/26/407974126.db2.gz 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CNC(=O)[C@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000183679655 697491960 /nfs/dbraw/zinc/49/19/60/697491960.db2.gz LQGCXGLOTIPYKK-CHWSQXEVSA-N 1 0 313.442 1.604 10 0 DDAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCC1(C)OCCO1 ZINC000185527767 697519624 /nfs/dbraw/zinc/51/96/24/697519624.db2.gz WQCYOLBDNPTFAK-OAHLLOKOSA-N 1 0 306.406 1.429 10 0 DDAERO CCO[C@H]1C[C@H]([NH2+]CCCC(=O)NC2CC2)C12CCOCC2 ZINC000186248850 697531574 /nfs/dbraw/zinc/53/15/74/697531574.db2.gz ZEQNZSPDLRQPRY-GJZGRUSLSA-N 1 0 310.438 1.609 10 0 DDAERO CC[C@@H](CO)[NH2+]Cc1c(C(C)C)nn(C)c1N1CCOCC1 ZINC000186520584 697534403 /nfs/dbraw/zinc/53/44/03/697534403.db2.gz ACULXMPPLZCBOM-ZDUSSCGKSA-N 1 0 310.442 1.241 10 0 DDAERO C=CCc1cc(OC)cc(C[N@@H+]2CCCNC(=O)[C@H]2C)c1O ZINC000190700992 697594870 /nfs/dbraw/zinc/59/48/70/697594870.db2.gz RWWDAPDFAWKRFV-GFCCVEGCSA-N 1 0 304.390 1.840 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000194147834 697694105 /nfs/dbraw/zinc/69/41/05/697694105.db2.gz BDWGPJIZHUUHSW-CQSZACIVSA-N 1 0 318.421 1.292 10 0 DDAERO C[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)NC(=O)OC(C)(C)C ZINC000194489828 697711503 /nfs/dbraw/zinc/71/15/03/697711503.db2.gz OEZXHTDTAIBJQT-NWDGAFQWSA-N 1 0 314.430 1.245 10 0 DDAERO COc1nc(N2CCC[C@H]([C@@H](C)[NH3+])C2)ncc1Br ZINC000235022709 697792702 /nfs/dbraw/zinc/79/27/02/697792702.db2.gz XNQILOAUEPFKQL-BDAKNGLRSA-N 1 0 315.215 1.811 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H]2CSCCS2)C1 ZINC000246337106 698348087 /nfs/dbraw/zinc/34/80/87/698348087.db2.gz GSLTYEALDGIWDB-FRRDWIJNSA-N 1 0 317.524 1.863 10 0 DDAERO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000261678010 698432558 /nfs/dbraw/zinc/43/25/58/698432558.db2.gz HJJNFZPVMHTFRK-SECBINFHSA-N 1 0 308.350 1.217 10 0 DDAERO C[NH2+][C@H](C)CNC(=O)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000261722256 698434755 /nfs/dbraw/zinc/43/47/55/698434755.db2.gz KXGDLTODUZVJDL-SECBINFHSA-N 1 0 319.386 1.877 10 0 DDAERO COc1ccccc1[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000262049901 698452384 /nfs/dbraw/zinc/45/23/84/698452384.db2.gz ZOEJJGRVDSAWAI-MWQQHZPXSA-N 1 0 320.433 1.475 10 0 DDAERO [NH3+]CCNC(=O)[C@@H]1CCCN(c2cc(C(F)(F)F)ccn2)C1 ZINC000262063705 698453421 /nfs/dbraw/zinc/45/34/21/698453421.db2.gz FEGCVODPOHORDH-SNVBAGLBSA-N 1 0 316.327 1.392 10 0 DDAERO COC[C@@H]([NH3+])C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000262227713 698460358 /nfs/dbraw/zinc/46/03/58/698460358.db2.gz GLTMLSZWOSDHJR-NXEZZACHSA-N 1 0 307.177 1.117 10 0 DDAERO Cc1c(S(=O)(=O)N[C@H]2CCC[NH2+][C@@H]2C)c2ccccc2n1C ZINC000262314951 698464308 /nfs/dbraw/zinc/46/43/08/698464308.db2.gz PPWCMZVDJCLGKU-RISCZKNCSA-N 1 0 321.446 1.906 10 0 DDAERO CC(=O)c1cccc(NC(=O)CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000262560301 698474703 /nfs/dbraw/zinc/47/47/03/698474703.db2.gz VFGLSTGLLHXRQN-NUEKZKHPSA-N 1 0 301.390 1.497 10 0 DDAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000309930788 698668782 /nfs/dbraw/zinc/66/87/82/698668782.db2.gz YZZFVXXJCRDPCO-QXAKKESOSA-N 1 0 317.477 1.960 10 0 DDAERO O=C(c1cc(Cl)nc(Cl)c1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000700770796 699222385 /nfs/dbraw/zinc/22/23/85/699222385.db2.gz IBFSZKLXPKXFDY-VHSXEESVSA-N 1 0 316.188 1.591 10 0 DDAERO Cc1ccncc1C[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702760296 699232007 /nfs/dbraw/zinc/23/20/07/699232007.db2.gz CESOUJRCMPOIHJ-GJZGRUSLSA-N 1 0 321.421 1.707 10 0 DDAERO C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccncc1 ZINC000702762452 699232495 /nfs/dbraw/zinc/23/24/95/699232495.db2.gz KRVCSMIUMBPQRG-AEGPPILISA-N 1 0 321.421 1.960 10 0 DDAERO Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)o1 ZINC000702834421 699233366 /nfs/dbraw/zinc/23/33/66/699233366.db2.gz BNHUFPQJOTZCSA-JSGCOSHPSA-N 1 0 310.394 1.905 10 0 DDAERO CC(C)(C)OC(=O)N1C[C@@H](C[NH2+]Cc2nccs2)[C@H](O)C1 ZINC000702842395 699234027 /nfs/dbraw/zinc/23/40/27/699234027.db2.gz WUBKVONCODEDJD-GHMZBOCLSA-N 1 0 313.423 1.461 10 0 DDAERO C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1cccnc1 ZINC000705767575 699241770 /nfs/dbraw/zinc/24/17/70/699241770.db2.gz PLSITTJCAJYZKD-QEJZJMRPSA-N 1 0 321.421 1.960 10 0 DDAERO CC(C)(C)OC(=O)NC1CCC([NH2+][C@H]2CCOC[C@@H]2O)CC1 ZINC000706724009 699244165 /nfs/dbraw/zinc/24/41/65/699244165.db2.gz JKMJFVSHXNLEGN-HOAMVYINSA-N 1 0 314.426 1.562 10 0 DDAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)C1 ZINC000706777443 699244567 /nfs/dbraw/zinc/24/45/67/699244567.db2.gz CBXBXACCROIMHK-DGAVXFQQSA-N 1 0 314.426 1.562 10 0 DDAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@@H]2COCC[C@H]2O)C1 ZINC000710912513 699255440 /nfs/dbraw/zinc/25/54/40/699255440.db2.gz ISUVTYDXHHKNOF-MGPQQGTHSA-N 1 0 314.426 1.373 10 0 DDAERO C[C@@H]([NH2+]CC1CC(O)C1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000711087407 699256362 /nfs/dbraw/zinc/25/63/62/699256362.db2.gz YJIKEUKLZWYYCX-RYSNWHEDSA-N 1 0 314.426 1.371 10 0 DDAERO COC[C@H](CCO)[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711437929 699257909 /nfs/dbraw/zinc/25/79/09/699257909.db2.gz JMVQWMRYYUAMJE-CPCZMJQVSA-N 1 0 302.415 1.277 10 0 DDAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]C2CC(C(N)=O)C2)C1 ZINC000716698453 699283479 /nfs/dbraw/zinc/28/34/79/699283479.db2.gz MEDJVEVQKAXLKQ-CMOBGSAGSA-N 1 0 311.426 1.676 10 0 DDAERO CS(=O)(=O)c1ccccc1NC[C@H]1C[NH2+]CCC1(F)F ZINC000716998972 699285575 /nfs/dbraw/zinc/28/55/75/699285575.db2.gz PGPOSMCTAXVEJN-SNVBAGLBSA-N 1 0 304.362 1.747 10 0 DDAERO CC(C)(C)S(=O)(=O)CCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000718784849 699295314 /nfs/dbraw/zinc/29/53/14/699295314.db2.gz IIZPATSHEDNAAO-IHRRRGAJSA-N 1 0 303.468 1.683 10 0 DDAERO CO[C@@]1(C[NH2+]C[C@H](O)COCc2ccco2)CCSC1 ZINC000719322684 699300787 /nfs/dbraw/zinc/30/07/87/699300787.db2.gz FDVQJECAFYKSPD-GXTWGEPZSA-N 1 0 301.408 1.269 10 0 DDAERO CC(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)CC[C@H]1C(F)(F)F ZINC000886038055 708686842 /nfs/dbraw/zinc/68/68/42/708686842.db2.gz DKPUUJUMZVENEZ-RYUDHWBXSA-N 1 0 304.316 1.452 10 0 DDAERO Cn1cc(-c2noc([C@H]3OCC[C@H]3C[NH3+])n2)c(C(F)(F)F)n1 ZINC000888078483 709210163 /nfs/dbraw/zinc/21/01/63/709210163.db2.gz VOJJJNLOUKAXNX-XPUUQOCRSA-N 1 0 317.271 1.525 10 0 DDAERO CCOC(=O)c1c(NC(=O)CC2C[NH2+]C2)sc2c1CCC2 ZINC000081765875 192321264 /nfs/dbraw/zinc/32/12/64/192321264.db2.gz HLIAGBALGGVCJN-UHFFFAOYSA-N 1 0 308.403 1.962 10 0 DDAERO CC[C@@H]1CN(C(=O)NC(C2CC2)C2CC2)CC[N@@H+]1C[C@H](C)O ZINC000248464675 282086059 /nfs/dbraw/zinc/08/60/59/282086059.db2.gz YQANBYLCVBFHCE-SWLSCSKDSA-N 1 0 309.454 1.662 10 0 DDAERO CCCNC(=O)[C@H](C)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248648478 282096161 /nfs/dbraw/zinc/09/61/61/282096161.db2.gz JTJXFVRYONHKAA-RDJZCZTQSA-N 1 0 318.465 1.750 10 0 DDAERO COCc1cc([C@@H](C)[NH2+][C@@H](C)CS(C)(=O)=O)ccc1OC ZINC000081901887 192336549 /nfs/dbraw/zinc/33/65/49/192336549.db2.gz UTBASCZFGRKORN-NWDGAFQWSA-N 1 0 315.435 1.925 10 0 DDAERO CC[NH2+][C@@H]1CCC[C@@H]1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000081935428 192342327 /nfs/dbraw/zinc/34/23/27/192342327.db2.gz XYVAGQHTDRUOBK-DOMZBBRYSA-N 1 0 311.403 1.762 10 0 DDAERO CCN(C(=O)CC[C@@H](CC[NH3+])C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000079276704 185162967 /nfs/dbraw/zinc/16/29/67/185162967.db2.gz LWYYVAWEIXCFSB-KBPBESRZSA-N 1 0 318.483 1.423 10 0 DDAERO CC[C@@H](C(N)=S)[NH+]1CCN(c2nc(C(C)C)ns2)CC1 ZINC000087639952 185229666 /nfs/dbraw/zinc/22/96/66/185229666.db2.gz DMOIJZYEJBOZND-JTQLQIEISA-N 1 0 313.496 1.848 10 0 DDAERO CC(C)c1nsc(N2CCN(c3cc[nH+]cc3N)CC2)n1 ZINC000087643036 185229927 /nfs/dbraw/zinc/22/99/27/185229927.db2.gz OUFDSGLNDDUUNA-UHFFFAOYSA-N 1 0 304.423 1.965 10 0 DDAERO Cc1nnc(S[C@H](C)C(=O)Nc2ccccc2)n1CC[NH3+] ZINC000087715094 185230971 /nfs/dbraw/zinc/23/09/71/185230971.db2.gz QXAFRNRRMGOYMN-SNVBAGLBSA-N 1 0 305.407 1.665 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1ccccc1I ZINC000088002576 185238037 /nfs/dbraw/zinc/23/80/37/185238037.db2.gz UGARXRPLGVGTJW-QMMMGPOBSA-N 1 0 320.130 1.203 10 0 DDAERO O=S(=O)(Nc1ccc(N2CCCCC2)cc1)[C@H]1CC[NH2+]C1 ZINC000088056832 185238277 /nfs/dbraw/zinc/23/82/77/185238277.db2.gz RMOBVMSAMIQCDU-HNNXBMFYSA-N 1 0 309.435 1.781 10 0 DDAERO C[C@@H](C[NH3+])[S@](=O)Cc1ccc(I)cc1 ZINC000088067675 185238713 /nfs/dbraw/zinc/23/87/13/185238713.db2.gz VVFPCUWWDKQUCS-RTHLEPHNSA-N 1 0 323.199 1.887 10 0 DDAERO NS(=O)(=O)CCC[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816407 185232498 /nfs/dbraw/zinc/23/24/98/185232498.db2.gz BZBVFFDJKJGBDQ-CQSZACIVSA-N 1 0 307.419 1.814 10 0 DDAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)[C@@H]1COc2ccccc2O1 ZINC000087859884 185233855 /nfs/dbraw/zinc/23/38/55/185233855.db2.gz IYAMKRBWRDOQIH-WFASDCNBSA-N 1 0 313.419 1.629 10 0 DDAERO Cc1ccc(CNc2nc(NN)[nH+]cc2Br)cn1 ZINC000087870280 185234060 /nfs/dbraw/zinc/23/40/60/185234060.db2.gz RFSRUZPXEWHPFK-UHFFFAOYSA-N 1 0 309.171 1.840 10 0 DDAERO NNc1nc(NCC2CCOCC2)c(Br)c[nH+]1 ZINC000087877748 185234236 /nfs/dbraw/zinc/23/42/36/185234236.db2.gz UUDRJWVCSBQTIJ-UHFFFAOYSA-N 1 0 302.176 1.363 10 0 DDAERO COC[C@@H](Nc1nc(NN)[nH+]cc1Br)C(C)C ZINC000087883345 185234280 /nfs/dbraw/zinc/23/42/80/185234280.db2.gz DLWAEYURKOKYNT-MRVPVSSYSA-N 1 0 304.192 1.608 10 0 DDAERO CCO[C@H](C[NH3+])C[S@](=O)c1cccc(Br)c1 ZINC000088145377 185240590 /nfs/dbraw/zinc/24/05/90/185240590.db2.gz YJBIOHAMJDXJBA-QLJPJBMISA-N 1 0 306.225 1.921 10 0 DDAERO C[N@@H+]1CCCC[C@H]1COc1nc(Cl)nc(N2CCCC2)n1 ZINC000088165562 185240772 /nfs/dbraw/zinc/24/07/72/185240772.db2.gz XAQSSCODFBBVLD-NSHDSACASA-N 1 0 311.817 1.988 10 0 DDAERO Cc1cc(C)c(NC(=O)CCC[N@@H+]2C[C@@H](O)C[C@@H]2CO)c(C)c1 ZINC000185144285 539245410 /nfs/dbraw/zinc/24/54/10/539245410.db2.gz BAFRQUKZDPJYKH-CVEARBPZSA-N 1 0 320.433 1.758 10 0 DDAERO CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1S(=O)(=O)CCC(=O)OC ZINC000081974947 192348277 /nfs/dbraw/zinc/34/82/77/192348277.db2.gz PNRWYAUOOOFAOU-MJBXVCDLSA-N 1 0 319.467 1.911 10 0 DDAERO CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1S(=O)(=O)CC(=O)OC ZINC000081976805 192348417 /nfs/dbraw/zinc/34/84/17/192348417.db2.gz DZLRKBRNTGKQPU-XQQFMLRXSA-N 1 0 305.440 1.377 10 0 DDAERO CCC[C@@H]1CC[C@@H]([NH2+]CC)[C@H](S(=O)(=O)CC(=O)OC)C1 ZINC000081975714 192348461 /nfs/dbraw/zinc/34/84/61/192348461.db2.gz ZSNPQNMOYQMJTF-JHJVBQTASA-N 1 0 305.440 1.521 10 0 DDAERO CCCOc1ccc([C@@H]([NH3+])CS(=O)(=O)CC(=O)OC)cc1 ZINC000081976260 192348533 /nfs/dbraw/zinc/34/85/33/192348533.db2.gz ISQLCBAPUCACSS-ZDUSSCGKSA-N 1 0 315.391 1.063 10 0 DDAERO CCCCS(=O)(=O)[C@@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000081973596 192348604 /nfs/dbraw/zinc/34/86/04/192348604.db2.gz VVQAMMONDLPJEN-QWHCGFSZSA-N 1 0 305.440 1.475 10 0 DDAERO CNC(=O)[C@H]([NH2+]C[C@@H](O)COc1c(C)ccc(C)c1C)C(C)C ZINC000183633175 539242530 /nfs/dbraw/zinc/24/25/30/539242530.db2.gz FLYPFSZGUNGBBQ-HZPDHXFCSA-N 1 0 322.449 1.712 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)N(Cc1ccc(C)o1)C1CC1)C(C)C ZINC000183635887 539242659 /nfs/dbraw/zinc/24/26/59/539242659.db2.gz GWQDJKKSZKDNRM-MRXNPFEDSA-N 1 0 321.421 1.439 10 0 DDAERO NNc1cc(S(=O)(=O)N2CCC[C@H](C(F)(F)F)C2)cc[nH+]1 ZINC000088432951 185249663 /nfs/dbraw/zinc/24/96/63/185249663.db2.gz LGDJZQNWEQOHDP-QMMMGPOBSA-N 1 0 324.328 1.330 10 0 DDAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCO[C@H](C)C2)o1 ZINC000088544559 185257066 /nfs/dbraw/zinc/25/70/66/185257066.db2.gz UXEAQHCMOWNNLU-GFCCVEGCSA-N 1 0 316.423 1.577 10 0 DDAERO C[NH2+][C@H](Cc1nc2ccccc2s1)[C@H]1CCS(=O)(=O)C1 ZINC000088518771 185254591 /nfs/dbraw/zinc/25/45/91/185254591.db2.gz KECCUKVYNPOIDO-CMPLNLGQSA-N 1 0 310.444 1.862 10 0 DDAERO CCN([C@@H](C)COC)S(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088544096 185256710 /nfs/dbraw/zinc/25/67/10/185256710.db2.gz WFMHSVZFIWHTHI-LBPRGKRZSA-N 1 0 318.439 1.823 10 0 DDAERO COC[C@@H]1CN(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)C[C@H](C)O1 ZINC000251986915 282207460 /nfs/dbraw/zinc/20/74/60/282207460.db2.gz VSXFYGUJOZNUKG-ZQDZILKHSA-N 1 0 313.442 1.160 10 0 DDAERO CC[C@H](NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1CCCO1 ZINC000245693426 539268712 /nfs/dbraw/zinc/26/87/12/539268712.db2.gz UYKLEAPJFPEXHA-QLFBSQMISA-N 1 0 313.442 1.090 10 0 DDAERO C[NH2+][C@H](C[S@](=O)CCS(C)(=O)=O)c1cc(C)ccc1C ZINC000081992980 192351551 /nfs/dbraw/zinc/35/15/51/192351551.db2.gz QMBUYFJWNUACCP-KUHUBIRLSA-N 1 0 317.476 1.357 10 0 DDAERO OC[C@@H](O)C[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000090282741 185289318 /nfs/dbraw/zinc/28/93/18/185289318.db2.gz BLSUXKNWRALEOA-GDKBPFBDSA-N 1 0 300.196 1.638 10 0 DDAERO O=C(c1cc2c(s1)CCCC2)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308604 185290100 /nfs/dbraw/zinc/29/01/00/185290100.db2.gz NXEIDADQLBZWQQ-UHFFFAOYSA-N 1 0 305.447 1.357 10 0 DDAERO O=C(c1cc(Cl)c(Cl)[nH]1)N1CCN(C2C[NH2+]C2)CC1 ZINC000090306862 185290151 /nfs/dbraw/zinc/29/01/51/185290151.db2.gz NNNVCJUJGKWQCX-UHFFFAOYSA-N 1 0 303.193 1.051 10 0 DDAERO O=C(c1cc(Cl)ccc1Cl)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308677 185290262 /nfs/dbraw/zinc/29/02/62/185290262.db2.gz HFFHZIMSHXGLDA-UHFFFAOYSA-N 1 0 314.216 1.723 10 0 DDAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NC(=O)c1ccc(OC(F)F)cc1 ZINC000090311267 185290477 /nfs/dbraw/zinc/29/04/77/185290477.db2.gz RCEPSSBOIDVSMT-TUAOUCFPSA-N 1 0 300.305 1.523 10 0 DDAERO O=C(c1cc(F)ccc1Br)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090321093 185290833 /nfs/dbraw/zinc/29/08/33/185290833.db2.gz MDOLDNXYBJIPLS-RKDXNWHRSA-N 1 0 313.170 1.880 10 0 DDAERO O=C(c1cc(F)ccc1Br)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090321094 185290929 /nfs/dbraw/zinc/29/09/29/185290929.db2.gz MDOLDNXYBJIPLS-IUCAKERBSA-N 1 0 313.170 1.880 10 0 DDAERO CCOC(=O)c1nc(CN2C[C@@H]3C[NH2+]C[C@@H]3C2(C)C)cs1 ZINC000090337778 185292010 /nfs/dbraw/zinc/29/20/10/185292010.db2.gz RPFPBFMXGAYOLT-JQWIXIFHSA-N 1 0 309.435 1.750 10 0 DDAERO CN(Cc1ccccc1Br)C(=O)[C@@H]1COC[C@H]1[NH3+] ZINC000090381684 185293500 /nfs/dbraw/zinc/29/35/00/185293500.db2.gz LNHJBMJWVOJYFD-ZYHUDNBSSA-N 1 0 313.195 1.381 10 0 DDAERO [NH3+][C@H]1COC[C@H]1C(=O)Nc1cc(Cl)ccc1-n1cccn1 ZINC000090381440 185293782 /nfs/dbraw/zinc/29/37/82/185293782.db2.gz ZNDCUIJTENHDAL-MNOVXSKESA-N 1 0 306.753 1.438 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000090431951 185295932 /nfs/dbraw/zinc/29/59/32/185295932.db2.gz UFLAUGDBVZHLFS-QWRGUYRKSA-N 1 0 304.268 1.758 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1nc2ccc(OC)cc2s1 ZINC000090431685 185296042 /nfs/dbraw/zinc/29/60/42/185296042.db2.gz TUBNEUZQJMFGMP-KOLCDFICSA-N 1 0 307.375 1.478 10 0 DDAERO C[C@]1(C(=O)Nc2ccc(Br)cn2)COC[C@H]1[NH3+] ZINC000090582117 185304955 /nfs/dbraw/zinc/30/49/55/185304955.db2.gz ABCLGAUVFNRGDY-KCJUWKMLSA-N 1 0 300.156 1.146 10 0 DDAERO C[C@]1(C(=O)Nc2ccc(OC(F)(F)F)cc2)COC[C@@H]1[NH3+] ZINC000090580643 185304998 /nfs/dbraw/zinc/30/49/98/185304998.db2.gz ZYQQJYBOEXLHOF-JQWIXIFHSA-N 1 0 304.268 1.888 10 0 DDAERO CCS(=O)(=O)N1CCCSC[C@H]1C[NH+]1CCCCC1 ZINC000090701807 185310353 /nfs/dbraw/zinc/31/03/53/185310353.db2.gz SLYBFNYZFAPYOR-CYBMUJFWSA-N 1 0 306.497 1.630 10 0 DDAERO CCC[NH2+]C[C@H](C)c1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C ZINC000092320352 185312000 /nfs/dbraw/zinc/31/20/00/185312000.db2.gz ONZTUBBEQLKASM-FZMZJTMJSA-N 1 0 313.467 1.963 10 0 DDAERO CCC[NH2+]CCCc1c(C)nn(CCS(=O)(=O)CC)c1C ZINC000092323589 185312338 /nfs/dbraw/zinc/31/23/38/185312338.db2.gz ZEGZUMUHHUUGCJ-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/33/10/40/199331040.db2.gz VCNCUEWNIUPKGB-SNVBAGLBSA-N 1 0 324.331 1.623 10 0 DDAERO C[N@H+](CCO)C1CCN(c2nc(N)c3ccccc3n2)CC1 ZINC000301983183 529920420 /nfs/dbraw/zinc/92/04/20/529920420.db2.gz ASBHAAVFAMNLHN-UHFFFAOYSA-N 1 0 301.394 1.105 10 0 DDAERO CO[C@H]1C[C@@H](C(=O)N2CCC(c3ccncc3)CC2)[N@H+](C)C1 ZINC000346575748 539374844 /nfs/dbraw/zinc/37/48/44/539374844.db2.gz SRWHVMAXNSJWCE-HOTGVXAUSA-N 1 0 303.406 1.507 10 0 DDAERO CS(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000037015630 190664538 /nfs/dbraw/zinc/66/45/38/190664538.db2.gz BXYSPDAQQRIXHX-VIFPVBQESA-N 1 0 316.810 1.682 10 0 DDAERO CCOC1CCN(S(=O)(=O)Cc2cccc(C[NH3+])c2)CC1 ZINC000040689934 190666387 /nfs/dbraw/zinc/66/63/87/190666387.db2.gz YPVRPHXFKNQZOX-UHFFFAOYSA-N 1 0 312.435 1.476 10 0 DDAERO C[C@@H]([NH2+]C[C@@H](O)Cn1cccn1)c1ccc2c(c1)OCCO2 ZINC000181751498 199347350 /nfs/dbraw/zinc/34/73/50/199347350.db2.gz ABSFJDXOEMEZHN-TZMCWYRMSA-N 1 0 303.362 1.366 10 0 DDAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000111263336 185567346 /nfs/dbraw/zinc/56/73/46/185567346.db2.gz OLQWTBFFSIMQRL-SWLSCSKDSA-N 1 0 307.825 1.844 10 0 DDAERO CCN1CCO[C@H](C[NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000389853956 539509623 /nfs/dbraw/zinc/50/96/23/539509623.db2.gz YHSGDJYWQRGDIB-UHOSZYNNSA-N 1 0 317.477 1.817 10 0 DDAERO CC[C@@H]([NH3+])Cc1c(Sc2n[nH]c(=O)n2C)nc2sccn21 ZINC000111586283 185615194 /nfs/dbraw/zinc/61/51/94/185615194.db2.gz ATVBFXCNUPDMER-SSDOTTSWSA-N 1 0 324.435 1.249 10 0 DDAERO CC[NH2+][C@@H](C)[C@@H]1CCCN(S(=O)(=O)N2CCCC[C@@H]2C)C1 ZINC000111713667 185628627 /nfs/dbraw/zinc/62/86/27/185628627.db2.gz HYLYCOIAEBFQAE-SOUVJXGZSA-N 1 0 317.499 1.816 10 0 DDAERO Cc1n[nH]cc1S(=O)(=O)N1CCC[C@H](C[NH2+]CC(C)C)C1 ZINC000111719855 185630755 /nfs/dbraw/zinc/63/07/55/185630755.db2.gz JAHXHYSHFAHNIS-CYBMUJFWSA-N 1 0 314.455 1.364 10 0 DDAERO CC(C)C[NH2+]C[C@H]1CCCCN1S(=O)(=O)C1CCOCC1 ZINC000111721240 185632003 /nfs/dbraw/zinc/63/20/03/185632003.db2.gz QXEOFKXICYAKSW-CQSZACIVSA-N 1 0 318.483 1.595 10 0 DDAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@@H]1c1ccc(N)cc1 ZINC000616637325 362765160 /nfs/dbraw/zinc/76/51/60/362765160.db2.gz VKIXDJZFBYDDTO-OAHLLOKOSA-N 1 0 320.437 1.740 10 0 DDAERO CCC[NH2+][C@](CN(CC(F)(F)F)C1CC1)(C(N)=O)C1CC1 ZINC000069100984 190799079 /nfs/dbraw/zinc/79/90/79/190799079.db2.gz RKODSEKATLEEHT-ZDUSSCGKSA-N 1 0 307.360 1.647 10 0 DDAERO CC(=O)c1ccc(S(=O)(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)cc1 ZINC000124022177 185867555 /nfs/dbraw/zinc/86/75/55/185867555.db2.gz CIEWURNBXKFPFU-NHYWBVRUSA-N 1 0 310.419 1.460 10 0 DDAERO C[NH2+]CC[C@H]1CCCCN1S(=O)(=O)c1c(C)nn(C)c1C ZINC000070192604 190870282 /nfs/dbraw/zinc/87/02/82/190870282.db2.gz KKRYZGCVSZURQF-CYBMUJFWSA-N 1 0 314.455 1.190 10 0 DDAERO CCC(CC)n1ccc(C[C@H](C[NH3+])[C@H]2CCS(=O)(=O)C2)n1 ZINC000070324650 190881462 /nfs/dbraw/zinc/88/14/62/190881462.db2.gz RAVMKTLCHHGCIS-QWHCGFSZSA-N 1 0 313.467 1.796 10 0 DDAERO COCCc1noc(-c2ccnc(N3CCC[C@@H]([NH3+])C3)c2)n1 ZINC000070458170 190897183 /nfs/dbraw/zinc/89/71/83/190897183.db2.gz WTJAFZDSCKDGDQ-GFCCVEGCSA-N 1 0 303.366 1.248 10 0 DDAERO Cc1nc(Cl)ccc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000287016777 219271830 /nfs/dbraw/zinc/27/18/30/219271830.db2.gz UTKPTYIXFVVSKC-SNVBAGLBSA-N 1 0 303.815 1.368 10 0 DDAERO CCCCOCCNS(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000071244184 190949074 /nfs/dbraw/zinc/94/90/74/190949074.db2.gz UZUFUUFZABHKCN-UHFFFAOYSA-N 1 0 304.387 1.379 10 0 DDAERO Cc1nc2n(n1)CCC[C@H]2NC(=O)NCC1CC[NH+](C)CC1 ZINC000083720281 192379566 /nfs/dbraw/zinc/37/95/66/192379566.db2.gz AZMUDSOXEKAXKR-CYBMUJFWSA-N 1 0 306.414 1.062 10 0 DDAERO O[C@]1(Cc2ccc(I)cc2)CCC[NH2+]C1 ZINC000083850327 192385925 /nfs/dbraw/zinc/38/59/25/192385925.db2.gz JAVSOFKGYJKCCK-LBPRGKRZSA-N 1 0 317.170 1.948 10 0 DDAERO CC(=O)NCC[NH2+]Cc1ccc(I)cc1 ZINC000083849205 192386047 /nfs/dbraw/zinc/38/60/47/192386047.db2.gz MKEZXSOZMVZLKQ-UHFFFAOYSA-N 1 0 318.158 1.517 10 0 DDAERO NC(=O)CC[NH2+]Cc1ccc(I)cc1 ZINC000083849206 192386931 /nfs/dbraw/zinc/38/69/31/192386931.db2.gz AELDPABNJCDCGN-UHFFFAOYSA-N 1 0 304.131 1.256 10 0 DDAERO CNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCCC[NH2+]2)cc1 ZINC000083896824 192390719 /nfs/dbraw/zinc/39/07/19/192390719.db2.gz NMJGRGASGKMGTA-ZDUSSCGKSA-N 1 0 311.407 1.065 10 0 DDAERO NS(=O)(=O)c1ccccc1NC(=O)CC1([NH3+])CCCCC1 ZINC000084183166 192410121 /nfs/dbraw/zinc/41/01/21/192410121.db2.gz XBWMSKIUXNRDLC-UHFFFAOYSA-N 1 0 311.407 1.324 10 0 DDAERO Cc1c2c(ccc1Cl)[C@H](C[NH3+])N([C@@H]1CCS(=O)(=O)C1)C2 ZINC000071683574 191007652 /nfs/dbraw/zinc/00/76/52/191007652.db2.gz MKJDGKVBMXRSRM-YGRLFVJLSA-N 1 0 314.838 1.651 10 0 DDAERO Cc1nccn1C[C@H]1CCCN1c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000225597781 186281421 /nfs/dbraw/zinc/28/14/21/186281421.db2.gz VTSYHRNUUDEFLD-CYBMUJFWSA-N 1 0 324.392 1.418 10 0 DDAERO CC(=O)Nc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000171887268 198000954 /nfs/dbraw/zinc/00/09/54/198000954.db2.gz FWQRNMKSAFYUSB-HNNXBMFYSA-N 1 0 302.378 1.957 10 0 DDAERO CC[N@H+](C)C[C@H]1CC[C@@H](Cc2ccc(OCC(=O)NC)cc2)O1 ZINC000072458672 191173462 /nfs/dbraw/zinc/17/34/62/191173462.db2.gz KWBMTWZCPJZKFA-DLBZAZTESA-N 1 0 320.433 1.853 10 0 DDAERO CC(C)[N@H+]1C[C@H](NS(=O)(=O)c2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000173883275 198263709 /nfs/dbraw/zinc/26/37/09/198263709.db2.gz YIPQHLBPPGRSHE-HZMBPMFUSA-N 1 0 318.389 1.972 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(Cc2noc(-c3ccccc3)n2)CC1 ZINC000174093205 198289756 /nfs/dbraw/zinc/28/97/56/198289756.db2.gz IUTZOZHVBGBXAR-OAHLLOKOSA-N 1 0 316.405 1.625 10 0 DDAERO CCNC(=O)c1ccc(NC[C@H](O)C[NH+]2CCCCC2)nc1 ZINC000174683638 198370594 /nfs/dbraw/zinc/37/05/94/198370594.db2.gz LYMJDGHPHHIMFZ-AWEZNQCLSA-N 1 0 306.410 1.090 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1cccs1 ZINC000175045074 198420012 /nfs/dbraw/zinc/42/00/12/198420012.db2.gz VELRIOSSLHTJNJ-QWHCGFSZSA-N 1 0 321.446 1.563 10 0 DDAERO CCOC(=O)c1nc(CN2CCC[C@@H](C(=O)OC)C2)cs1 ZINC000112336219 353972022 /nfs/dbraw/zinc/97/20/22/353972022.db2.gz WTNASVSFTALKPD-SNVBAGLBSA-N 1 0 312.391 1.705 10 0 DDAERO O=C(Nc1ccc(OC(F)(F)F)cc1)C1(O)CC[NH2+]CC1 ZINC000115333418 353984594 /nfs/dbraw/zinc/98/45/94/353984594.db2.gz ALYIRRDNSUXXBV-UHFFFAOYSA-N 1 0 304.268 1.638 10 0 DDAERO C[C@H]([NH3+])[C@H](O)c1ncc(Br)cc1Br ZINC000129035477 354078040 /nfs/dbraw/zinc/07/80/40/354078040.db2.gz ITJJMFNGAAADBP-NVNXEXLPSA-N 1 0 309.989 1.987 10 0 DDAERO COc1ccc([C@@H](C)CC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000176608284 198604152 /nfs/dbraw/zinc/60/41/52/198604152.db2.gz UNLUAYBGZBLMNQ-YOEHRIQHSA-N 1 0 320.433 1.978 10 0 DDAERO C[C@@]1(C[NH3+])CCN(c2ncc(I)cn2)C1 ZINC000235441827 354332650 /nfs/dbraw/zinc/33/26/50/354332650.db2.gz KSEKDNSKQNQGGV-JTQLQIEISA-N 1 0 318.162 1.256 10 0 DDAERO CCCn1nccc1NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247229888 354364288 /nfs/dbraw/zinc/36/42/88/354364288.db2.gz DBPYZIVYDTXWOB-STQMWFEESA-N 1 0 309.414 1.212 10 0 DDAERO CCn1nccc1C[NH2+][C@H]1CCO[C@@H]1c1ccc(OC)nc1 ZINC000284721598 354430652 /nfs/dbraw/zinc/43/06/52/354430652.db2.gz LOBCUXHZFHFWEB-GOEBONIOSA-N 1 0 302.378 1.926 10 0 DDAERO CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCC[NH+](CC)CC ZINC000073416754 191314729 /nfs/dbraw/zinc/31/47/29/191314729.db2.gz UZEYBYSWKFMLLG-AWEZNQCLSA-N 1 0 312.458 1.371 10 0 DDAERO COc1cc(C)c(Cl)cc1S(=O)(=O)NCCC[NH+](C)C ZINC000074935124 191389648 /nfs/dbraw/zinc/38/96/48/191389648.db2.gz YLOKXEGVXKYFRP-UHFFFAOYSA-N 1 0 320.842 1.887 10 0 DDAERO CC(C)Oc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1Cl ZINC000074935509 191390070 /nfs/dbraw/zinc/39/00/70/191390070.db2.gz ZEAJPAPCROQJDM-UHFFFAOYSA-N 1 0 320.842 1.967 10 0 DDAERO CN(c1ccc(I)cn1)[C@@H]1CC[NH2+]C1 ZINC000591429678 355309044 /nfs/dbraw/zinc/30/90/44/355309044.db2.gz VBUBFHPEJBFBLM-SECBINFHSA-N 1 0 303.147 1.484 10 0 DDAERO C[C@H](NS(=O)(=O)CC[C@@H]1CCCC[NH2+]1)c1nccs1 ZINC000080315300 192022776 /nfs/dbraw/zinc/02/27/76/192022776.db2.gz ZDIHISCVIFNZSA-QWRGUYRKSA-N 1 0 303.453 1.656 10 0 DDAERO CCC[N@@H+](CC(=O)N(C)C)C[C@H](C(N)=S)c1ccccc1 ZINC000080797278 192192016 /nfs/dbraw/zinc/19/20/16/192192016.db2.gz QSWHQKNKSJSILP-AWEZNQCLSA-N 1 0 307.463 1.857 10 0 DDAERO CS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085363371 192496061 /nfs/dbraw/zinc/49/60/61/192496061.db2.gz HIVVWOYUFUTWIK-OLZOCXBDSA-N 1 0 311.407 1.514 10 0 DDAERO CCc1nc(N2CCn3cnnc3C2)sc1C[NH2+]C(C)C ZINC000081544159 192287335 /nfs/dbraw/zinc/28/73/35/192287335.db2.gz SQKMVSGZPMBLDG-UHFFFAOYSA-N 1 0 306.439 1.815 10 0 DDAERO CCNc1ncc(S(=O)(=O)NCCC[NH+](C)C)cc1Cl ZINC000081680827 192313698 /nfs/dbraw/zinc/31/36/98/192313698.db2.gz WPRKKDRNIOYXDN-UHFFFAOYSA-N 1 0 320.846 1.397 10 0 DDAERO CCC[NH2+]CCn1c(C)ncc(I)c1=O ZINC000085464886 192508056 /nfs/dbraw/zinc/50/80/56/192508056.db2.gz MGDDXDYAHLHVIT-UHFFFAOYSA-N 1 0 321.162 1.156 10 0 DDAERO CCN(C1CCCCC1)S(=O)(=O)c1n[nH]c(C)c1C[NH3+] ZINC000088917720 192658613 /nfs/dbraw/zinc/65/86/13/192658613.db2.gz ANZPDAMCZRASIH-UHFFFAOYSA-N 1 0 300.428 1.520 10 0 DDAERO CCCN(C)S(=O)(=O)c1c(C)nn(CC[NH2+]C2CC2)c1C 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193357933 /nfs/dbraw/zinc/35/79/33/193357933.db2.gz IJORXKKZBNWLPG-HNNXBMFYSA-N 1 0 316.442 1.843 10 0 DDAERO C[NH2+][C@H](C)c1ccc(NC(=O)N(C)CCS(C)(=O)=O)cc1 ZINC000094302539 193358874 /nfs/dbraw/zinc/35/88/74/193358874.db2.gz UZSOGSBBOKEVHI-LLVKDONJSA-N 1 0 313.423 1.475 10 0 DDAERO Cc1oc(C[NH2+]C(C)(C)C)cc1CN(C)CCS(C)(=O)=O ZINC000094300907 193358924 /nfs/dbraw/zinc/35/89/24/193358924.db2.gz CXUKMODWUMEXGA-UHFFFAOYSA-N 1 0 316.467 1.953 10 0 DDAERO CC1(C)CC[C@@H](N2CCn3c(nnc3C(F)(F)F)C2)[C@@H]1[NH3+] ZINC000094306515 193358972 /nfs/dbraw/zinc/35/89/72/193358972.db2.gz OMFWKOAVPPRRHR-SCZZXKLOSA-N 1 0 303.332 1.628 10 0 DDAERO CCC[NH2+][C@@H]1[C@H](CN2CCS(=O)(=O)CC2)CCC1(C)C ZINC000094316579 193359423 /nfs/dbraw/zinc/35/94/23/193359423.db2.gz BMNRTIQEDRSYOM-UONOGXRCSA-N 1 0 302.484 1.521 10 0 DDAERO C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C(N)=S)CC[N@@H+]1C ZINC000094336195 193360805 /nfs/dbraw/zinc/36/08/05/193360805.db2.gz CYFHZTSZYBZWKF-MRVPVSSYSA-N 1 0 318.368 1.875 10 0 DDAERO 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/nfs/dbraw/zinc/39/88/01/193398801.db2.gz YJZQHRKINWSMFI-LLVKDONJSA-N 1 0 307.419 1.650 10 0 DDAERO CC(C)[NH2+]CCn1cc(S(=O)(=O)N2CCC(C)(C)C2)cn1 ZINC000094814797 193399954 /nfs/dbraw/zinc/39/99/54/193399954.db2.gz VKQVIENKZANCAD-UHFFFAOYSA-N 1 0 314.455 1.302 10 0 DDAERO O=C(N[C@H]1CCCn2ncnc21)N1CC[NH+](C2CCCC2)CC1 ZINC000176587274 284191045 /nfs/dbraw/zinc/19/10/45/284191045.db2.gz BYXUCYAMOGPKRT-AWEZNQCLSA-N 1 0 318.425 1.383 10 0 DDAERO O=C(OCCN1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000096586770 193681419 /nfs/dbraw/zinc/68/14/19/193681419.db2.gz NTSJNRTVCZKMBV-UHFFFAOYSA-N 1 0 313.195 1.511 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000174583901 248370998 /nfs/dbraw/zinc/37/09/98/248370998.db2.gz SUDYKHBJMSBZIA-CYBMUJFWSA-N 1 0 311.426 1.406 10 0 DDAERO OCc1nc2cc(Cl)ccc2n1CCC[NH+]1CCOCC1 ZINC000040405988 183062174 /nfs/dbraw/zinc/06/21/74/183062174.db2.gz NYVSHCSNMQAZGY-UHFFFAOYSA-N 1 0 309.797 1.904 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C)c(C)c(N)c2)C1 ZINC000040501842 183083306 /nfs/dbraw/zinc/08/33/06/183083306.db2.gz HGTKEJDRJMBROP-CYBMUJFWSA-N 1 0 311.451 1.648 10 0 DDAERO C[N@@H+]1CCC[C@H](Nc2ccccc2S(=O)(=O)NC2CC2)C1 ZINC000040673425 183116354 /nfs/dbraw/zinc/11/63/54/183116354.db2.gz BVCLILCHYGMHEL-ZDUSSCGKSA-N 1 0 309.435 1.633 10 0 DDAERO CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000040851666 183142336 /nfs/dbraw/zinc/14/23/36/183142336.db2.gz RPZPBYVVHWUTJQ-VHSXEESVSA-N 1 0 312.391 1.203 10 0 DDAERO COC(=O)[C@H](c1ccc(Br)s1)N1CC[NH2+]CC1 ZINC000041702558 183218603 /nfs/dbraw/zinc/21/86/03/183218603.db2.gz LYIMCQQLZIBQHB-JTQLQIEISA-N 1 0 319.224 1.630 10 0 DDAERO CCC[N@H+](CCC[C@@](C)([NH2+]C(C)C)C(=O)[O-])CCN(C)C ZINC000041674722 183215195 /nfs/dbraw/zinc/21/51/95/183215195.db2.gz FMALVJNYYLMCAG-MRXNPFEDSA-N 1 0 301.475 1.882 10 0 DDAERO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cnc(Cl)nc1 ZINC000041679046 183216349 /nfs/dbraw/zinc/21/63/49/183216349.db2.gz CAXKKHQCXWZSAU-VIFPVBQESA-N 1 0 306.819 1.139 10 0 DDAERO CCOC(=O)CCNS(=O)(=O)c1cccc([C@H]([NH3+])CC)c1 ZINC000041681737 183216410 /nfs/dbraw/zinc/21/64/10/183216410.db2.gz DWDUWLNPKICIDJ-CYBMUJFWSA-N 1 0 314.407 1.328 10 0 DDAERO [NH3+]C[C@H](c1ccc(Br)s1)N1CCS(=O)CC1 ZINC000042325954 183253859 /nfs/dbraw/zinc/25/38/59/183253859.db2.gz MFPGEAFQLYVVIZ-MRVPVSSYSA-N 1 0 323.281 1.575 10 0 DDAERO CC[NH2+]Cc1cccc(Br)c1O[C@@H](C)C(N)=O ZINC000042411645 183266025 /nfs/dbraw/zinc/26/60/25/183266025.db2.gz KHZOSJIZKXQFNN-QMMMGPOBSA-N 1 0 301.184 1.811 10 0 DDAERO C[C@H](COc1c(Br)cccc1CC[NH3+])C(N)=O ZINC000042412709 183266115 /nfs/dbraw/zinc/26/61/15/183266115.db2.gz RMWICDQUDFKWPO-MRVPVSSYSA-N 1 0 301.184 1.451 10 0 DDAERO COCCCN(CCOC)[C@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000042421061 183267895 /nfs/dbraw/zinc/26/78/95/183267895.db2.gz CAURVTIDTSMUOD-OAHLLOKOSA-N 1 0 302.365 1.950 10 0 DDAERO CCCO[C@H]1CCCN(S(=O)(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000042425711 183268619 /nfs/dbraw/zinc/26/86/19/183268619.db2.gz XAGNLQFDRWMMFA-KGLIPLIRSA-N 1 0 304.456 1.207 10 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ZINC000043428260 183361466 /nfs/dbraw/zinc/36/14/66/183361466.db2.gz VGUBSERXFQTGQU-GJZGRUSLSA-N 1 0 310.419 1.348 10 0 DDAERO CCOc1cccc([C@H](C)NC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000104792984 194040126 /nfs/dbraw/zinc/04/01/26/194040126.db2.gz FNSLGMULADZPOZ-BBRMVZONSA-N 1 0 321.421 1.776 10 0 DDAERO Cc1cccc(OC[C@@H](C)NC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000104791313 194040334 /nfs/dbraw/zinc/04/03/34/194040334.db2.gz GEXFORBTOZXYOS-ZBFHGGJFSA-N 1 0 321.421 1.392 10 0 DDAERO CC[C@H]1CN(CC(=O)NCc2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000105825486 194137390 /nfs/dbraw/zinc/13/73/90/194137390.db2.gz VFIUYXGFKRCIIA-WBVHZDCISA-N 1 0 319.449 1.080 10 0 DDAERO CC[C@H]1CN(Cc2ccoc2C(=O)OC)CC[N@@H+]1C[C@@H](C)O ZINC000105826531 194137783 /nfs/dbraw/zinc/13/77/83/194137783.db2.gz DLYXIXXCGNNDBV-OCCSQVGLSA-N 1 0 310.394 1.343 10 0 DDAERO CC[C@H]1CN(CC(=O)Nc2ccccc2F)CC[N@@H+]1C[C@@H](C)O ZINC000105825647 194137863 /nfs/dbraw/zinc/13/78/63/194137863.db2.gz BIQSTQXHRMDAHU-KGLIPLIRSA-N 1 0 323.412 1.541 10 0 DDAERO NC(=O)c1ccc(C[NH+]2CCC(Nc3cccnn3)CC2)cc1 ZINC000105805174 194133949 /nfs/dbraw/zinc/13/39/49/194133949.db2.gz HYMKWVACLSHHQK-UHFFFAOYSA-N 1 0 311.389 1.652 10 0 DDAERO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000105882980 194156042 /nfs/dbraw/zinc/15/60/42/194156042.db2.gz MTRXDLFGHGQPNS-HNNXBMFYSA-N 1 0 313.405 1.937 10 0 DDAERO c1ncn([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000105899167 194163841 /nfs/dbraw/zinc/16/38/41/194163841.db2.gz YHOBKMQSACKSJV-CQSZACIVSA-N 1 0 300.362 1.886 10 0 DDAERO CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000105901066 194164082 /nfs/dbraw/zinc/16/40/82/194164082.db2.gz ADTHVBYPHNCHPN-CVEARBPZSA-N 1 0 322.453 1.760 10 0 DDAERO CC(C)COC[C@H](O)C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000105902274 194167329 /nfs/dbraw/zinc/16/73/29/194167329.db2.gz LMFYVHBHMYIAMQ-MRXNPFEDSA-N 1 0 322.453 1.411 10 0 DDAERO CNc1cc(N2CCC[C@@H]2C[NH2+]C2CCSCC2)ncn1 ZINC000105904859 194167499 /nfs/dbraw/zinc/16/74/99/194167499.db2.gz RJNNETGLCRYFOD-CYBMUJFWSA-N 1 0 307.467 1.972 10 0 DDAERO CCc1ccc(NC(=O)[C@H](C)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000105926870 194172554 /nfs/dbraw/zinc/17/25/54/194172554.db2.gz JSFUJSNZVFWCOL-WMLDXEAASA-N 1 0 319.449 1.838 10 0 DDAERO Cc1cccc(NC(=O)[C@H](C)[NH2+]C[C@H]2CN(C)CCO2)c1C ZINC000105932657 194173670 /nfs/dbraw/zinc/17/36/70/194173670.db2.gz REYZIVIBOKVZPV-GJZGRUSLSA-N 1 0 305.422 1.551 10 0 DDAERO C[NH2+]Cc1cc(Cl)ccc1OCC(=O)N[C@@H](C)COC ZINC000049290301 183723855 /nfs/dbraw/zinc/72/38/55/183723855.db2.gz SRWXODVALLLJSB-JTQLQIEISA-N 1 0 300.786 1.589 10 0 DDAERO CCC[C@@H](C(N)=S)[NH+]1CCN(CCc2ccccn2)CC1 ZINC000109470170 194266437 /nfs/dbraw/zinc/26/64/37/194266437.db2.gz UWDCNMHRUSTURV-HNNXBMFYSA-N 1 0 306.479 1.697 10 0 DDAERO NNc1[nH+]cc(C(=O)NCCc2ccc(O)cc2)cc1Cl ZINC000051094328 183814364 /nfs/dbraw/zinc/81/43/64/183814364.db2.gz GDCVJBYLXRGSIA-UHFFFAOYSA-N 1 0 306.753 1.699 10 0 DDAERO Cc1cccc(CC(=O)N2CC[NH+]([C@H](C)C(N)=S)CC2)c1 ZINC000109459513 194265433 /nfs/dbraw/zinc/26/54/33/194265433.db2.gz QIZOGAXADJDWPS-CYBMUJFWSA-N 1 0 305.447 1.356 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN(C(=O)Oc2ccccc2)CC1 ZINC000109466542 194266800 /nfs/dbraw/zinc/26/68/00/194266800.db2.gz RBSBKGAIUOXSKD-CYBMUJFWSA-N 1 0 307.419 1.868 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN(c2cc(C)nc(C)n2)CC1 ZINC000109471705 194266985 /nfs/dbraw/zinc/26/69/85/194266985.db2.gz MCDRXHCSQHYZFU-CYBMUJFWSA-N 1 0 307.467 1.670 10 0 DDAERO C[C@H](C(N)=S)[NH+]1CCN(c2cnc3ccccc3n2)CC1 ZINC000109471295 194267085 /nfs/dbraw/zinc/26/70/85/194267085.db2.gz PLGROKPDGHIFQH-LLVKDONJSA-N 1 0 301.419 1.426 10 0 DDAERO Cc1ncsc1CCOC[C@@H](O)C[NH2+]C1(CO)CCCC1 ZINC000053069324 183885672 /nfs/dbraw/zinc/88/56/72/183885672.db2.gz GMFBPKXUBKOKAC-ZDUSSCGKSA-N 1 0 314.451 1.266 10 0 DDAERO CC[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)cc2N)C[C@@H]1C ZINC000110702170 194352284 /nfs/dbraw/zinc/35/22/84/194352284.db2.gz BYKUJKMKKYLWTI-NSHDSACASA-N 1 0 310.829 1.887 10 0 DDAERO O=S(=O)(NCC[C@@H]1CCC[NH2+]C1)c1c[nH]c2ncccc12 ZINC000110792361 194358972 /nfs/dbraw/zinc/35/89/72/194358972.db2.gz UNDQJAXLMFHSAM-NSHDSACASA-N 1 0 308.407 1.231 10 0 DDAERO Cc1cccc(C(=O)NC2CC[NH+](CC(N)=S)CC2)c1O ZINC000110825744 194362530 /nfs/dbraw/zinc/36/25/30/194362530.db2.gz LJDWKXVPOFCJJU-UHFFFAOYSA-N 1 0 307.419 1.181 10 0 DDAERO CCCN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1c(C)noc1C ZINC000110942071 194371873 /nfs/dbraw/zinc/37/18/73/194371873.db2.gz SHYHPSHVMWUTQR-LBPRGKRZSA-N 1 0 301.412 1.444 10 0 DDAERO C[C@@H]([NH3+])c1cccc(S(=O)(=O)N(C)C[C@@H]2CCCOC2)c1 ZINC000111179534 194399337 /nfs/dbraw/zinc/39/93/37/194399337.db2.gz JTIPEIMXTFWYKL-OLZOCXBDSA-N 1 0 312.435 1.753 10 0 DDAERO CC[NH2+]C[C@@H](C)C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000061236412 184166789 /nfs/dbraw/zinc/16/67/89/184166789.db2.gz OXOLYIOEZLRTFD-MCIONIFRSA-N 1 0 300.468 1.745 10 0 DDAERO CC[NH2+]CCC(=O)Nc1cc(NS(C)(=O)=O)ccc1Cl ZINC000061291692 184167743 /nfs/dbraw/zinc/16/77/43/184167743.db2.gz FSSYGTXGCUDBHZ-UHFFFAOYSA-N 1 0 319.814 1.650 10 0 DDAERO C[N@@H+]1CCCC[C@@H]1CNc1nc(Cl)nc(-n2ccnc2)n1 ZINC000061540827 184173328 /nfs/dbraw/zinc/17/33/28/184173328.db2.gz YZJQJAMFSQUVRE-SNVBAGLBSA-N 1 0 307.789 1.607 10 0 DDAERO CC(C)[C@H](C[NH+](C)C)Nc1nc(Cl)nc(-n2cncn2)n1 ZINC000061539294 184173600 /nfs/dbraw/zinc/17/36/00/184173600.db2.gz ITGZRKRVRXWWJZ-VIFPVBQESA-N 1 0 310.793 1.104 10 0 DDAERO CC[NH+](CC)C[C@@H](C)Nc1nc(Cl)nc(-n2ccnc2)n1 ZINC000061541593 184174222 /nfs/dbraw/zinc/17/42/22/184174222.db2.gz RICNWZBZJBCQSR-SNVBAGLBSA-N 1 0 309.805 1.853 10 0 DDAERO CN(C)S(=O)(=O)c1cccc(N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000061981675 184200160 /nfs/dbraw/zinc/20/01/60/184200160.db2.gz UMNSMDPEISBLPC-ZDUSSCGKSA-N 1 0 309.435 1.586 10 0 DDAERO C[N@H+](CCNC(=O)[C@H](Cc1ccccc1)C(N)=S)C1CC1 ZINC000062010406 184200965 /nfs/dbraw/zinc/20/09/65/184200965.db2.gz OXFHOEKIYKZKPO-CQSZACIVSA-N 1 0 305.447 1.342 10 0 DDAERO Cc1ccsc1[C@H]([C@@H](C)[NH3+])N1CCN(S(C)(=O)=O)CC1 ZINC000062081749 184205072 /nfs/dbraw/zinc/20/50/72/184205072.db2.gz 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CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261693193 407581577 /nfs/dbraw/zinc/58/15/77/407581577.db2.gz HTRDTOGFOMCWLH-OAGGEKHMSA-N 1 0 318.417 1.652 10 0 DDAERO C[NH2+]C[C@@H]1CCCN(c2ccc(S(C)(=O)=O)cc2F)C1 ZINC000261717387 407588985 /nfs/dbraw/zinc/58/89/85/407588985.db2.gz JZFQTYSVNGUGAQ-NSHDSACASA-N 1 0 300.399 1.665 10 0 DDAERO CC(C)CNC(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114580950 407590082 /nfs/dbraw/zinc/59/00/82/407590082.db2.gz HVDGFCQKDFETOZ-UHFFFAOYSA-N 1 0 319.453 1.631 10 0 DDAERO COc1c(C)ccc(NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)c1C ZINC000170844506 407526925 /nfs/dbraw/zinc/52/69/25/407526925.db2.gz HMIFRZUSJFRVFY-CYBMUJFWSA-N 1 0 319.405 1.413 10 0 DDAERO COC[C@]1(CNc2ncc(Br)cn2)CCC[NH2+]1 ZINC000261562018 407544049 /nfs/dbraw/zinc/54/40/49/407544049.db2.gz VYJVXZISHZRDLN-LLVKDONJSA-N 1 0 301.188 1.420 10 0 DDAERO C[C@H]1CN(CC(=O)N(C)Cc2ccc(Cl)s2)C[C@H]1[NH3+] ZINC000261567205 407545047 /nfs/dbraw/zinc/54/50/47/407545047.db2.gz 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/nfs/dbraw/zinc/94/42/76/163944276.db2.gz KPOCWTADUHLJFT-UHFFFAOYSA-N 1 0 300.362 1.177 10 0 DDAERO COc1ccc(CCc2nc([C@H]3C[NH2+]CCN3C)no2)cc1F ZINC000263298500 163946715 /nfs/dbraw/zinc/94/67/15/163946715.db2.gz WRTSTFRIGGVZTK-CYBMUJFWSA-N 1 0 320.368 1.579 10 0 DDAERO Cc1nnc([C@H]2COCCN2CC[N@@H+](C)Cc2ccccc2)o1 ZINC000296133525 409441074 /nfs/dbraw/zinc/44/10/74/409441074.db2.gz WSTPJBUQDQDNQY-MRXNPFEDSA-N 1 0 316.405 1.883 10 0 DDAERO Cc1c(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cnn1C ZINC000296545811 409612871 /nfs/dbraw/zinc/61/28/71/409612871.db2.gz MKDWKYZUDNWBCH-CQSZACIVSA-N 1 0 324.425 1.454 10 0 DDAERO CC(C)[C@H]([NH3+])[C@@H](O)c1ncc(I)s1 ZINC000306542171 409776421 /nfs/dbraw/zinc/77/64/21/409776421.db2.gz YSPNRKIIOGOPEJ-NKWVEPMBSA-N 1 0 312.176 1.764 10 0 DDAERO C[C@H]1CN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)c2ccccc21 ZINC000299740390 410605106 /nfs/dbraw/zinc/60/51/06/410605106.db2.gz ZFFFCNPGKZTXJH-STQMWFEESA-N 1 0 311.389 1.967 10 0 DDAERO COc1ccc(O[C@@H](C)C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000129597256 196060765 /nfs/dbraw/zinc/06/07/65/196060765.db2.gz CDXVPQZLSUNHIQ-ICIURTGMSA-N 1 0 304.390 1.862 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1ncccc1S(N)(=O)=O ZINC000131439463 196169242 /nfs/dbraw/zinc/16/92/42/196169242.db2.gz OGWBOIMAKZKWTM-GFCCVEGCSA-N 1 0 312.439 1.261 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000132777831 196282639 /nfs/dbraw/zinc/28/26/39/196282639.db2.gz JVZOZFIUJWTMGI-DLBZAZTESA-N 1 0 317.433 1.050 10 0 DDAERO CC(C)(C)OC(=O)NCCN1CC[NH2+][C@H](c2ccnc(N)c2)C1 ZINC000616633631 417088355 /nfs/dbraw/zinc/08/83/55/417088355.db2.gz DJTJBCMBPKZMHQ-ZDUSSCGKSA-N 1 0 321.425 1.135 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1ccc(C)cc1=O ZINC000194778263 222182688 /nfs/dbraw/zinc/18/26/88/222182688.db2.gz WYZFYYRFHGJWCW-HUUCEWRRSA-N 1 0 303.406 1.242 10 0 DDAERO CCCCOC[C@H](O)C[N@@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000195206884 222193157 /nfs/dbraw/zinc/19/31/57/222193157.db2.gz BCZIEKFOBNXHEI-ZIAGYGMSSA-N 1 0 308.413 1.825 10 0 DDAERO CCO[C@]1(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CCOC1 ZINC000401626736 418765673 /nfs/dbraw/zinc/76/56/73/418765673.db2.gz AWQJPLYIOGZTAU-MAUKXSAKSA-N 1 0 320.433 1.819 10 0 DDAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1nscc1Br ZINC000404818574 418773446 /nfs/dbraw/zinc/77/34/46/418773446.db2.gz RDJHDSGPEWHALH-HTRCEHHLSA-N 1 0 304.213 1.763 10 0 DDAERO CCO[C@@H]1CN(c2ccc(Br)c(C)n2)C[C@H]1C[NH3+] ZINC000405317638 418775430 /nfs/dbraw/zinc/77/54/30/418775430.db2.gz XLMJXHGQPXKYTB-ZYHUDNBSSA-N 1 0 314.227 1.953 10 0 DDAERO O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CCC(c2cc[nH]n2)CC1 ZINC000299743749 229381613 /nfs/dbraw/zinc/38/16/13/229381613.db2.gz MAFDVFSOUGSNEZ-GHMZBOCLSA-N 1 0 316.327 1.514 10 0 DDAERO COCCn1cc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C(F)(F)F)cn1 ZINC000299739748 229374326 /nfs/dbraw/zinc/37/43/26/229374326.db2.gz ANYBFBGFMNVLNC-GHMZBOCLSA-N 1 0 320.315 1.208 10 0 DDAERO CC[C@H]1CN(C(=O)/C=C\c2cccc(O)c2)CC[N@@H+]1CCOC ZINC000492766073 420657078 /nfs/dbraw/zinc/65/70/78/420657078.db2.gz REPPQSDRDDVCAF-PTZVLDCSSA-N 1 0 318.417 1.975 10 0 DDAERO CCOCCN1CCN(C(=O)/C=C\c2cncc(O)c2)C[C@@H]1C ZINC000493422751 420844515 /nfs/dbraw/zinc/84/45/15/420844515.db2.gz MPBXFCTYMNWUMN-WSNITJDQSA-N 1 0 319.405 1.370 10 0 DDAERO C[C@H]1CN(CC(=O)N(C)Cc2ccc(Cl)s2)C[C@H]1C[NH3+] ZINC000631843513 421882614 /nfs/dbraw/zinc/88/26/14/421882614.db2.gz OVZAIXPZLHRSNR-WDEREUQCSA-N 1 0 315.870 1.887 10 0 DDAERO COc1cccc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)n1 ZINC000583616571 422199374 /nfs/dbraw/zinc/19/93/74/422199374.db2.gz NRACUOOTICOZCO-PBHICJAKSA-N 1 0 312.373 1.547 10 0 DDAERO COc1ccc(CC[N@@H+]2CCC[C@](O)(c3cn[nH]n3)C2)cc1 ZINC000583618040 422204547 /nfs/dbraw/zinc/20/45/47/422204547.db2.gz WQVUVRBQNOPAKW-MRXNPFEDSA-N 1 0 302.378 1.339 10 0 DDAERO NC(=O)c1ccc(NC(=O)[C@H](C[NH3+])c2ccccc2)c(F)c1 ZINC000584660130 422301255 /nfs/dbraw/zinc/30/12/55/422301255.db2.gz XVBIQAOOUJGLAN-GFCCVEGCSA-N 1 0 301.321 1.606 10 0 DDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000634719869 422584964 /nfs/dbraw/zinc/58/49/64/422584964.db2.gz ATRNOFPMJBLSSL-AEFFLSMTSA-N 1 0 306.450 1.620 10 0 DDAERO CN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643618184 423213918 /nfs/dbraw/zinc/21/39/18/423213918.db2.gz FYPSYRVRMMNWIE-SNVBAGLBSA-N 1 0 300.761 1.674 10 0 DDAERO Cc1ccc(Br)cc1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643628544 423222383 /nfs/dbraw/zinc/22/23/83/423222383.db2.gz FTEQAXYWUKMXNC-JTQLQIEISA-N 1 0 313.195 1.932 10 0 DDAERO CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](n2ccnn2)C1)c1ccc(F)cc1 ZINC000639742329 423701406 /nfs/dbraw/zinc/70/14/06/423701406.db2.gz OSPOVCQLNNSSMS-RBSFLKMASA-N 1 0 306.341 1.023 10 0 DDAERO Cc1cc(C)cc(OCC[N@@H+]2C[C@@H](O)[C@H](n3ccnn3)C2)c1 ZINC000639740280 423702704 /nfs/dbraw/zinc/70/27/04/423702704.db2.gz ANJOMTYHDJTBKN-HZPDHXFCSA-N 1 0 302.378 1.192 10 0 DDAERO C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000341617592 271142210 /nfs/dbraw/zinc/14/22/10/271142210.db2.gz QFJJUQIGBGHSOV-ZDQLNLHRSA-N 1 0 301.456 1.020 10 0 DDAERO CC1CC[NH+](CC(=O)N2CCO[C@H](c3nccs3)C2)CC1 ZINC000137076249 275936794 /nfs/dbraw/zinc/93/67/94/275936794.db2.gz XDACCFVDLDNFDB-ZDUSSCGKSA-N 1 0 309.435 1.775 10 0 DDAERO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000132681171 276391083 /nfs/dbraw/zinc/39/10/83/276391083.db2.gz WKQHFYHRVGWTDV-CQSZACIVSA-N 1 0 314.455 1.158 10 0 DDAERO C[NH+](C)C[C@H]1CN([C@@H]2CCN(c3ccccc3F)C2=O)CCO1 ZINC000112345767 276806694 /nfs/dbraw/zinc/80/66/94/276806694.db2.gz CXAUQRKBALKDTE-XJKSGUPXSA-N 1 0 321.396 1.193 10 0 DDAERO CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1C[NH3+])c1ccc(C)cc1 ZINC000236687002 277040476 /nfs/dbraw/zinc/04/04/76/277040476.db2.gz KVMDWSXLLVBRRY-CVEARBPZSA-N 1 0 303.406 1.512 10 0 DDAERO C[C@@H]1CN(C(C)(C)CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000261622621 288067071 /nfs/dbraw/zinc/06/70/71/288067071.db2.gz BASSJAVJSMGFBM-LXTVHRRPSA-N 1 0 311.470 1.365 10 0 DDAERO Clc1cnc(N2CC[C@@H](N3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000261647605 279296925 /nfs/dbraw/zinc/29/69/25/279296925.db2.gz XTGSBRUPNLZBPN-LLVKDONJSA-N 1 0 301.221 1.872 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000245480967 279328441 /nfs/dbraw/zinc/32/84/41/279328441.db2.gz XUOIVGZRHQJNLE-OLZOCXBDSA-N 1 0 312.458 1.415 10 0 DDAERO CC(C)[C@H](C(=O)NC[C@H]1C[NH2+]C[C@H]1O)c1cccc(Cl)c1 ZINC000262274494 280175694 /nfs/dbraw/zinc/17/56/94/280175694.db2.gz NHANOCRGRZBCLG-YUELXQCFSA-N 1 0 310.825 1.776 10 0 DDAERO CC[C@@H](O)CN1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000156282562 280206659 /nfs/dbraw/zinc/20/66/59/280206659.db2.gz BNUKQVNWGIHASM-QGZVFWFLSA-N 1 0 319.449 1.277 10 0 DDAERO Cc1cc(C)n(-c2nc(C)c(C)c(N3CCC[NH2+]CC3)n2)n1 ZINC000045947306 280440901 /nfs/dbraw/zinc/44/09/01/280440901.db2.gz JQMMZYPXRWQKAO-UHFFFAOYSA-N 1 0 300.410 1.696 10 0 DDAERO CCNC(=O)CN(CC)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000124468714 281190761 /nfs/dbraw/zinc/19/07/61/281190761.db2.gz APYUUAANNOJSPA-CQSZACIVSA-N 1 0 312.458 1.274 10 0 DDAERO CC[C@@](C)([NH2+]C[C@H](O)CN1CCCC1=O)c1nc(C)cs1 ZINC000126744617 281251116 /nfs/dbraw/zinc/25/11/16/281251116.db2.gz BAOKMKUIEGOWQX-SWLSCSKDSA-N 1 0 311.451 1.650 10 0 DDAERO CC1(CNC(=O)C[C@H](NC(N)=O)c2cccs2)CC[NH2+]CC1 ZINC000262332965 281564383 /nfs/dbraw/zinc/56/43/83/281564383.db2.gz YKTUXCXYDFEULQ-NSHDSACASA-N 1 0 324.450 1.354 10 0 DDAERO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000249111057 288362879 /nfs/dbraw/zinc/36/28/79/288362879.db2.gz QXDYLQTUXVDCNC-BVBHFADKSA-N 1 0 318.461 1.884 10 0 DDAERO CCc1ccc(CC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc1 ZINC000246700677 282007526 /nfs/dbraw/zinc/00/75/26/282007526.db2.gz KABFREQAJOKHQH-CABCVRRESA-N 1 0 304.434 1.705 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC(=O)N2CCCCC2)C1 ZINC000247447459 282052970 /nfs/dbraw/zinc/05/29/70/282052970.db2.gz SLZGEFXXJVZCGN-ZIAGYGMSSA-N 1 0 310.442 1.027 10 0 DDAERO COC(=O)C1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000247653764 282065238 /nfs/dbraw/zinc/06/52/38/282065238.db2.gz NRXUZBUJEITFAL-VXGQWTEUSA-N 1 0 310.438 1.764 10 0 DDAERO C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CC[C@H]([NH3+])C(C)(C)C2)C1 ZINC000261811561 288651924 /nfs/dbraw/zinc/65/19/24/288651924.db2.gz SGSRBDBKSASPJY-XQQFMLRXSA-N 1 0 303.472 1.268 10 0 DDAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000261818698 288689024 /nfs/dbraw/zinc/68/90/24/288689024.db2.gz NILCHYLIABNAPU-GHMZBOCLSA-N 1 0 319.430 1.930 10 0 DDAERO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247210089 289323699 /nfs/dbraw/zinc/32/36/99/289323699.db2.gz PTFPHMMLXGEIIS-FPCVCCKLSA-N 1 0 311.470 1.427 10 0 DDAERO C[C@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1ccc(S(N)(=O)=O)cc1 ZINC000135630410 290042481 /nfs/dbraw/zinc/04/24/81/290042481.db2.gz ORTNMNIDVFGZCK-CQDKDKBSSA-N 1 0 312.435 1.678 10 0 DDAERO [NH3+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1F ZINC000044556955 295246224 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318.421 1.127 10 0 DDAERO C[C@H](c1ccc(F)nc1)[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000930425018 713831700 /nfs/dbraw/zinc/83/17/00/713831700.db2.gz IFTXCYAYOVNGHK-DYVFJYSZSA-N 1 0 321.396 1.731 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(CCCC(=O)OC(C)(C)C)C[C@H]1C ZINC000248467132 282085931 /nfs/dbraw/zinc/08/59/31/282085931.db2.gz SQUWVZLRIKCJRC-KGLIPLIRSA-N 1 0 300.443 1.495 10 0 DDAERO CCC[NH2+][C@@H]1CCC2(C[C@@H]1S(=O)(=O)CC(C)C)OCCO2 ZINC000081928961 192340988 /nfs/dbraw/zinc/34/09/88/192340988.db2.gz LVHDWQVYGVMILC-KGLIPLIRSA-N 1 0 319.467 1.721 10 0 DDAERO CCCS(=O)(=O)C[C@@H]([NH2+]C)c1ccc2c(c1)OCCCO2 ZINC000081939338 192343177 /nfs/dbraw/zinc/34/31/77/192343177.db2.gz MDYYHXUSUKWCHY-CYBMUJFWSA-N 1 0 313.419 1.933 10 0 DDAERO C[NH2+][C@H]1c2ccc(OC)cc2CC[C@@H]1S(=O)(=O)CCOC ZINC000081943180 192343604 /nfs/dbraw/zinc/34/36/04/192343604.db2.gz VDBLEUVBOUSBNI-GJZGRUSLSA-N 1 0 313.419 1.332 10 0 DDAERO CCC[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCS(C)(=O)=O)CC1 ZINC000079340470 185165814 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ZINC000087404334 185223923 /nfs/dbraw/zinc/22/39/23/185223923.db2.gz YJLAEGYCYRXEFE-SNVBAGLBSA-N 1 0 302.396 1.110 10 0 DDAERO CC(C)[C@@H](C[NH3+])NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000087405044 185224064 /nfs/dbraw/zinc/22/40/64/185224064.db2.gz YTRANEHAUIQCJF-LLVKDONJSA-N 1 0 310.341 1.967 10 0 DDAERO C[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)N1CCSCC1 ZINC000132898599 539189891 /nfs/dbraw/zinc/18/98/91/539189891.db2.gz YVJZYMRMNDHYMM-ZBFHGGJFSA-N 1 0 321.490 1.843 10 0 DDAERO CCC[C@H](C[NH3+])C(=O)Nc1ccccc1S(=O)(=O)NCC ZINC000087519469 185227456 /nfs/dbraw/zinc/22/74/56/185227456.db2.gz YKZGUWFJDWUOFN-LLVKDONJSA-N 1 0 313.423 1.298 10 0 DDAERO [NH3+][C@H]1COC[C@@H]1C(=O)NCc1sccc1Br ZINC000087575753 185228742 /nfs/dbraw/zinc/22/87/42/185228742.db2.gz IACMIOCRNOCEKD-XPUUQOCRSA-N 1 0 305.197 1.101 10 0 DDAERO [NH3+][C@H](c1sccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000087630461 185229663 /nfs/dbraw/zinc/22/96/63/185229663.db2.gz MEBHAWFSOCAEFW-XPUUQOCRSA-N 1 0 310.238 1.945 10 0 DDAERO CC[NH2+][C@@H]1CCCCCC[C@H]1S(=O)(=O)CC(=O)OCC ZINC000081977561 192347539 /nfs/dbraw/zinc/34/75/39/192347539.db2.gz NEOVLXMCGXVCAV-CHWSQXEVSA-N 1 0 305.440 1.665 10 0 DDAERO CC[NH2+][C@@H](CS(=O)(=O)CC(=O)OC)c1ccc(C)c(C)c1 ZINC000081975524 192347761 /nfs/dbraw/zinc/34/77/61/192347761.db2.gz AOXYIYVLJOKVAG-AWEZNQCLSA-N 1 0 313.419 1.542 10 0 DDAERO CO[C@H]1CCC[C@H](Oc2nc(NN)[nH+]cc2Br)C1 ZINC000087890040 185234741 /nfs/dbraw/zinc/23/47/41/185234741.db2.gz NPGFRTVDHVZYHK-YUMQZZPRSA-N 1 0 317.187 1.861 10 0 DDAERO CCN1CCC[C@@H]1CNc1nc(NN)[nH+]cc1Br ZINC000087905157 185237438 /nfs/dbraw/zinc/23/74/38/185237438.db2.gz YDRLMUXSOFKMRX-MRVPVSSYSA-N 1 0 315.219 1.421 10 0 DDAERO C[C@H]([NH3+])CS(=O)(=O)Cc1cc(Br)ccc1F ZINC000088070545 185238554 /nfs/dbraw/zinc/23/85/54/185238554.db2.gz ATBSEKDSQCHWJK-ZETCQYMHSA-N 1 0 310.188 1.850 10 0 DDAERO CC[C@@H]([NH3+])C[S@](=O)Cc1c(Br)c(C)nn1C ZINC000088074329 185238969 /nfs/dbraw/zinc/23/89/69/185238969.db2.gz SZFYPOXWLOLORU-VPTHRUTESA-N 1 0 308.245 1.477 10 0 DDAERO CCOC(=O)CCCNc1nc(NN)[nH+]cc1Br ZINC000087881890 185234374 /nfs/dbraw/zinc/23/43/74/185234374.db2.gz XXNCSSYCAHCVGR-UHFFFAOYSA-N 1 0 318.175 1.280 10 0 DDAERO CCC[NH2+][C@@H](CCC)[C@@H](CC)S(=O)(=O)CCC(=O)OC ZINC000081974959 192348035 /nfs/dbraw/zinc/34/80/35/192348035.db2.gz DHSSWYJZMIETHV-QWHCGFSZSA-N 1 0 307.456 1.911 10 0 DDAERO CCOC(=O)CS(=O)(=O)[C@@H](CC)[C@@H]([NH2+]C)c1ccccc1 ZINC000081977323 192348230 /nfs/dbraw/zinc/34/82/30/192348230.db2.gz KVEIJROYZOGMQV-ZFWWWQNUSA-N 1 0 313.419 1.704 10 0 DDAERO CC(C)C[C@@H](C[NH3+])CC(=O)N1CCN(c2nccs2)CC1 ZINC000088275796 185244698 /nfs/dbraw/zinc/24/46/98/185244698.db2.gz RISBFTPGZHKXFB-CYBMUJFWSA-N 1 0 310.467 1.803 10 0 DDAERO CC[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)S(=O)(=O)CC(=O)OC ZINC000081976580 192348496 /nfs/dbraw/zinc/34/84/96/192348496.db2.gz PXXQWPWZOZZIGH-DOMZBBRYSA-N 1 0 313.419 1.622 10 0 DDAERO Cc1nn(C)c2sc(C(=O)N3CC[C@H]([NH+](C)C)C3)c(N)c12 ZINC000088643356 185261148 /nfs/dbraw/zinc/26/11/48/185261148.db2.gz MYUJRTSGOLNYCM-VIFPVBQESA-N 1 0 307.423 1.302 10 0 DDAERO Nc1c2nccnc2sc1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000088642431 185261265 /nfs/dbraw/zinc/26/12/65/185261265.db2.gz HGZSJLVJZLLDCY-QMMMGPOBSA-N 1 0 303.391 1.240 10 0 DDAERO Cc1nn(C)c2sc(C(=O)NCC[N@@H+](C)C(C)C)c(N)c12 ZINC000088643137 185261371 /nfs/dbraw/zinc/26/13/71/185261371.db2.gz RNMVYNBMXAXGSU-UHFFFAOYSA-N 1 0 309.439 1.595 10 0 DDAERO NC(=O)[C@H]1C[NH2+]CCN1CCOc1c(Cl)cccc1Cl ZINC000088672933 185261986 /nfs/dbraw/zinc/26/19/86/185261986.db2.gz NWCICIKHTULTCZ-LLVKDONJSA-N 1 0 318.204 1.131 10 0 DDAERO Brc1cnc2c(c1)nccc2NC[C@H]1COCC[NH2+]1 ZINC000232456650 539267063 /nfs/dbraw/zinc/26/70/63/539267063.db2.gz RGHZGMHWBXPOFC-JTQLQIEISA-N 1 0 323.194 1.793 10 0 DDAERO CC(C)C[NH2+]CCCc1nnc(C(C)(C)S(C)(=O)=O)s1 ZINC000088813174 185266331 /nfs/dbraw/zinc/26/63/31/185266331.db2.gz CMQYDICBYFSMDP-UHFFFAOYSA-N 1 0 319.496 1.996 10 0 DDAERO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)c(CO)c1 ZINC000088876150 185267858 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CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NC(=O)c1ccc(Br)cc1 ZINC000090311965 185290511 /nfs/dbraw/zinc/29/05/11/185290511.db2.gz CFEPZMLVYSALNN-UTUOFQBUSA-N 1 0 313.195 1.684 10 0 DDAERO Cc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090322256 185290852 /nfs/dbraw/zinc/29/08/52/185290852.db2.gz CUOPDQYRGUMUQJ-GHMZBOCLSA-N 1 0 300.811 1.488 10 0 DDAERO CC(C)NS(=O)(=O)c1ccccc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090322670 185291096 /nfs/dbraw/zinc/29/10/96/185291096.db2.gz POCNHUASSNPFLQ-STQMWFEESA-N 1 0 309.435 1.029 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)N1CCCCCC1 ZINC000090331763 185291617 /nfs/dbraw/zinc/29/16/17/185291617.db2.gz DMGQYFXDDNGPFM-MGPQQGTHSA-N 1 0 301.456 1.037 10 0 DDAERO CC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cccc(OC(F)F)c1 ZINC000090489315 185298817 /nfs/dbraw/zinc/29/88/17/185298817.db2.gz HVKDJFABUYGBMM-RYUDHWBXSA-N 1 0 300.305 1.851 10 0 DDAERO [NH3+][C@@H]1COC[C@@H]1C(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000090381893 185293526 /nfs/dbraw/zinc/29/35/26/185293526.db2.gz IUJZSXSLLQUFFX-NWDGAFQWSA-N 1 0 302.296 1.551 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cc2c(cc1Cl)NC(=O)C2 ZINC000090433181 185296375 /nfs/dbraw/zinc/29/63/75/185296375.db2.gz ZXJWJINRJNRYBU-UFBFGSQYSA-N 1 0 309.753 1.008 10 0 DDAERO COC(=O)c1cc(Cl)ccc1NC(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000090585719 185305280 /nfs/dbraw/zinc/30/52/80/185305280.db2.gz OFWKPOAPNOOLSW-RISCZKNCSA-N 1 0 312.753 1.429 10 0 DDAERO CN(Cc1ccc(Br)o1)C(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090594247 185305938 /nfs/dbraw/zinc/30/59/38/185305938.db2.gz RGNMFGHEBMSRHF-CABZTGNLSA-N 1 0 317.183 1.364 10 0 DDAERO C[C@]1(CN2CCN(c3cccc(Cl)c3)CC2)COC[C@H]1[NH3+] ZINC000090606414 185306288 /nfs/dbraw/zinc/30/62/88/185306288.db2.gz DLVMOIVLQQJJPF-CVEARBPZSA-N 1 0 309.841 1.826 10 0 DDAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000090541525 185301821 /nfs/dbraw/zinc/30/18/21/185301821.db2.gz IKTPWOLHCNDCEQ-QJPTWQEYSA-N 1 0 308.344 1.802 10 0 DDAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1nc2c(s1)CCCC2 ZINC000090543904 185301984 /nfs/dbraw/zinc/30/19/84/185301984.db2.gz TVAAGWCULQYUGM-CMPLNLGQSA-N 1 0 309.435 1.975 10 0 DDAERO C[NH+](C)C[C@H]1CSCCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000090699837 185310380 /nfs/dbraw/zinc/31/03/80/185310380.db2.gz RKXRVELFYOMVHN-ZDUSSCGKSA-N 1 0 322.430 1.925 10 0 DDAERO C[NH2+]C[C@H](C)Cc1c(C)nn([C@@]2(C)CCS(=O)(=O)C2)c1C ZINC000092321833 185312285 /nfs/dbraw/zinc/31/22/85/185312285.db2.gz YJZVHHRPPLXCDJ-ABAIWWIYSA-N 1 0 313.467 1.432 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(N)ccc1F ZINC000092622739 185329845 /nfs/dbraw/zinc/32/98/45/185329845.db2.gz SUFKNJUQEZADEK-GFCCVEGCSA-N 1 0 315.414 1.513 10 0 DDAERO CN(CC(=O)Nc1ccc(Cl)cc1N)C[C@@H]1CCC[N@@H+]1C ZINC000092621502 185329961 /nfs/dbraw/zinc/32/99/61/185329961.db2.gz INODSMGROQQYMZ-LBPRGKRZSA-N 1 0 310.829 1.887 10 0 DDAERO CC[C@H]1CN(S(=O)(=O)c2cn(CC)cn2)[C@@H](CC)C[NH2+]1 ZINC000092910615 185348432 /nfs/dbraw/zinc/34/84/32/185348432.db2.gz QREXZCYHLIUDIS-RYUDHWBXSA-N 1 0 300.428 1.054 10 0 DDAERO CCN(C[C@@H]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)C1)CC(F)(F)F ZINC000262669360 282293522 /nfs/dbraw/zinc/29/35/22/282293522.db2.gz MJEZOIDXOCHGPI-AVGNSLFASA-N 1 0 321.387 1.847 10 0 DDAERO CN(C)c1ncccc1NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C(F)(F)F ZINC000299741108 529815187 /nfs/dbraw/zinc/81/51/87/529815187.db2.gz CVBUIAIVOXIRGO-NXEZZACHSA-N 1 0 316.327 1.826 10 0 DDAERO COCc1cccc(CNC(=O)C[NH2+][C@@H](C)[C@H]2CCCO2)c1 ZINC000183110882 199538561 /nfs/dbraw/zinc/53/85/61/199538561.db2.gz RAJXYEYYTPTEMU-XJKSGUPXSA-N 1 0 306.406 1.606 10 0 DDAERO CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000183956559 282307400 /nfs/dbraw/zinc/30/74/00/282307400.db2.gz WQGAMRQGXIKMNY-GUYCJALGSA-N 1 0 303.406 1.915 10 0 DDAERO CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000183956518 282307420 /nfs/dbraw/zinc/30/74/20/282307420.db2.gz WQGAMRQGXIKMNY-DYVFJYSZSA-N 1 0 303.406 1.915 10 0 DDAERO CC(C)(C)OC(=O)NCCN1CC[NH2+][C@H](c2ccccc2N)C1 ZINC000616634142 362764076 /nfs/dbraw/zinc/76/40/76/362764076.db2.gz MEDIXHOBENGNBU-HNNXBMFYSA-N 1 0 320.437 1.740 10 0 DDAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCc3ccc(O)cc3C2)C1 ZINC000342080389 282535326 /nfs/dbraw/zinc/53/53/26/282535326.db2.gz VYXMXTFIYPJNDC-CABCVRRESA-N 1 0 303.406 1.943 10 0 DDAERO [NH3+]Cc1nnn(C2CCCCC2)c1I ZINC000675051577 539562673 /nfs/dbraw/zinc/56/26/73/539562673.db2.gz OKKYCTBMVLICBB-UHFFFAOYSA-N 1 0 306.151 1.847 10 0 DDAERO O=C(Nc1ccnn1C1C[NH2+]C1)c1occc1Br ZINC000725258323 539569937 /nfs/dbraw/zinc/56/99/37/539569937.db2.gz OLHKKCVJWFXGGI-UHFFFAOYSA-N 1 0 311.139 1.635 10 0 DDAERO C[C@H]1CC[C@H](C[NH3+])CN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000070181304 190869124 /nfs/dbraw/zinc/86/91/24/190869124.db2.gz AWDAWMBRLXPNLO-VHSXEESVSA-N 1 0 304.362 1.713 10 0 DDAERO Cc1nc(S(=O)(=O)N2CCCC[C@H]2C[NH2+]C(C)C)c[nH]1 ZINC000070421186 190888917 /nfs/dbraw/zinc/88/89/17/190888917.db2.gz WEYLDGYERPDMDT-LBPRGKRZSA-N 1 0 300.428 1.259 10 0 DDAERO CC[NH2+][C@@](C)(CO)C[C@H](C)Oc1ccc(S(C)(=O)=O)cc1 ZINC000070519678 190903023 /nfs/dbraw/zinc/90/30/23/190903023.db2.gz AYUAGCRADAUWIT-SWLSCSKDSA-N 1 0 315.435 1.608 10 0 DDAERO CC(C)[C@H](CC[NH3+])CCC(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000083718515 192379512 /nfs/dbraw/zinc/37/95/12/192379512.db2.gz IWZMSTWFIQJDHU-GXTWGEPZSA-N 1 0 304.456 1.081 10 0 DDAERO C[NH2+][C@H]1CCC2(C[C@@H]1[S@](=O)c1ccccc1C)OCCO2 ZINC000084039651 192396013 /nfs/dbraw/zinc/39/60/13/192396013.db2.gz RWNBTPSVBASOMY-YHQOMNDMSA-N 1 0 309.431 1.986 10 0 DDAERO CC[C@@H](C)S(=O)(=O)C[C@@H](O)COc1ccc(C[NH3+])cc1 ZINC000084270219 192419065 /nfs/dbraw/zinc/41/90/65/192419065.db2.gz RVJPODPVIKWYCJ-YPMHNXCESA-N 1 0 301.408 1.098 10 0 DDAERO COc1cc2c(c(F)c1)CN(CCCN1CCOCC1)[C@H]2C[NH3+] ZINC000071683476 191006386 /nfs/dbraw/zinc/00/63/86/191006386.db2.gz FFMDXLNVUAMABG-KRWDZBQOSA-N 1 0 323.412 1.372 10 0 DDAERO CN(C(=O)Cc1ccc2cccc(N)c2n1)C1CC[NH+](C)CC1 ZINC000071698017 191009645 /nfs/dbraw/zinc/00/96/45/191009645.db2.gz 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201019954 /nfs/dbraw/zinc/01/99/54/201019954.db2.gz LMBPDLDOOHUMQF-XQQFMLRXSA-N 1 0 312.435 1.526 10 0 DDAERO CCCCOC[C@H](O)C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000193364190 201039241 /nfs/dbraw/zinc/03/92/41/201039241.db2.gz CXSBXNQGQBVHTD-QGZVFWFLSA-N 1 0 308.422 1.692 10 0 DDAERO Cc1ncc(Br)c(=O)n1CC[NH2+]C[C@@H]1CCCO1 ZINC000090768859 192931896 /nfs/dbraw/zinc/93/18/96/192931896.db2.gz IOXYMZNBROYESQ-JTQLQIEISA-N 1 0 316.199 1.083 10 0 DDAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(CC(=O)NC2CC2)C1 ZINC000195259486 201367977 /nfs/dbraw/zinc/36/79/77/201367977.db2.gz WMIBVQMWHRHYEL-CYBMUJFWSA-N 1 0 322.478 1.484 10 0 DDAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C[C@H](O)C(F)(F)F)C1 ZINC000195269359 201369033 /nfs/dbraw/zinc/36/90/33/201369033.db2.gz VWAHGOFKQBENNE-KBPBESRZSA-N 1 0 317.355 1.759 10 0 DDAERO CCCCC[NH2+]C[C@@H](C)N1CCSC[C@@H]1S(=O)(=O)CC ZINC000090928429 192951184 /nfs/dbraw/zinc/95/11/84/192951184.db2.gz JWMSSTLUGHHRGZ-KGLIPLIRSA-N 1 0 322.540 1.964 10 0 DDAERO 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CCC[C@@H](C(N)=S)[NH+]1CCN(C(=O)c2occc2C)CC1 ZINC000109463247 194266301 /nfs/dbraw/zinc/26/63/01/194266301.db2.gz PUESZSOLMLPWND-LBPRGKRZSA-N 1 0 309.435 1.801 10 0 DDAERO NNc1ccc(C(=O)Nc2ccc(Br)cn2)c[nH+]1 ZINC000051122252 183816844 /nfs/dbraw/zinc/81/68/44/183816844.db2.gz NCIIIUFWGOITAH-UHFFFAOYSA-N 1 0 308.139 1.777 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN(CC(=O)OC(C)C)CC1 ZINC000109470048 194267158 /nfs/dbraw/zinc/26/71/58/194267158.db2.gz YEDDLYZLTMWTFY-GFCCVEGCSA-N 1 0 301.456 1.010 10 0 DDAERO CCNS(=O)(=O)c1ccccc1OCC[C@H]1CCCC[NH2+]1 ZINC000051871108 183839657 /nfs/dbraw/zinc/83/96/57/183839657.db2.gz YCNFKFLEWVNWOV-CYBMUJFWSA-N 1 0 312.435 1.896 10 0 DDAERO CC[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2N)CC[N@@H+]1C ZINC000110703308 194352523 /nfs/dbraw/zinc/35/25/23/194352523.db2.gz YZFRGNSZMVLJFI-GFCCVEGCSA-N 1 0 310.829 1.887 10 0 DDAERO CCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000110941834 194372676 /nfs/dbraw/zinc/37/26/76/194372676.db2.gz GXFPBYSQVXPGHX-GFCCVEGCSA-N 1 0 304.362 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ZINC000066068351 184386529 /nfs/dbraw/zinc/38/65/29/184386529.db2.gz YILLYFQNLDSVPW-UHFFFAOYSA-N 1 0 307.394 1.389 10 0 DDAERO c1nnc2ccc(N3CC[NH+](CCC4CCCC4)CC3)nn12 ZINC000119129584 194979258 /nfs/dbraw/zinc/97/92/58/194979258.db2.gz ZVXCKZFQOPKVIU-UHFFFAOYSA-N 1 0 300.410 1.827 10 0 DDAERO C[C@H]([NH3+])C(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000157224796 197171144 /nfs/dbraw/zinc/17/11/44/197171144.db2.gz ZFSKYJFTCFZCRX-LURJTMIESA-N 1 0 301.140 1.141 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCCNC(=O)C1CCC1 ZINC000177019251 285271306 /nfs/dbraw/zinc/27/13/06/285271306.db2.gz NYOWNIPZPNYHRB-HNNXBMFYSA-N 1 0 324.469 1.419 10 0 DDAERO CN(C)[C@@H]1COC[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC000248051422 257109030 /nfs/dbraw/zinc/10/90/30/257109030.db2.gz XLSTXYOGQDXJQS-RBSFLKMASA-N 1 0 304.390 1.424 10 0 DDAERO Cn1cc(C[N@@H+]2CC[C@@]3(C2)C[C@@H](N2CCCC2=O)CCO3)cn1 ZINC000248109471 257109746 /nfs/dbraw/zinc/10/97/46/257109746.db2.gz GTEZNGDMHNFYMJ-RDJZCZTQSA-N 1 0 318.421 1.166 10 0 DDAERO Cc1nc(C[N@H+]2CC[C@@H]3OCC[C@]3(C(=O)N(C)C)C2)cs1 ZINC000247985135 257113627 /nfs/dbraw/zinc/11/36/27/257113627.db2.gz KFWBJISNVDMVLJ-ZFWWWQNUSA-N 1 0 309.435 1.521 10 0 DDAERO Fc1ccc(C[N@@H+]2C[C@H]3COC[C@]3(CN3CCOCC3)C2)cc1 ZINC000503716992 257210103 /nfs/dbraw/zinc/21/01/03/257210103.db2.gz KRBZUNYZKHVZOA-WMZOPIPTSA-N 1 0 320.408 1.606 10 0 DDAERO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc2nnnn2c1 ZINC000334162232 257262426 /nfs/dbraw/zinc/26/24/26/257262426.db2.gz QOXGZRZVWISVPL-OCCSQVGLSA-N 1 0 314.393 1.119 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)Nc1cc(Cl)ccc1Cl ZINC000414655239 224368601 /nfs/dbraw/zinc/36/86/01/224368601.db2.gz DDKMJGVTYNNBKZ-WRWORJQWSA-N 1 0 304.177 1.695 10 0 DDAERO Cc1cc(C[C@H](C)NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)[nH]n1 ZINC000121811273 195352585 /nfs/dbraw/zinc/35/25/85/195352585.db2.gz HWHJACRXWDYYMS-HUBLWGQQSA-N 1 0 307.442 1.677 10 0 DDAERO Cc1cc(C[C@H](C)NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)[nH]n1 ZINC000121810912 195353225 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C[C@@H]([NH2+][C@H](C)c1cccc(Br)c1)C(=O)NC(N)=O ZINC000037984432 406995733 /nfs/dbraw/zinc/99/57/33/406995733.db2.gz ILEMJXNQZQGNBN-HTQZYQBOSA-N 1 0 314.183 1.683 10 0 DDAERO COc1cccc(COC[C@@H](O)C[N@H+]2[C@H](C)COC[C@@H]2C)c1 ZINC000077657915 407000161 /nfs/dbraw/zinc/00/01/61/407000161.db2.gz XYGPUMPXPWSRFK-LZWOXQAQSA-N 1 0 309.406 1.682 10 0 DDAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000077730099 407005210 /nfs/dbraw/zinc/00/52/10/407005210.db2.gz YTWFCMRMRQJFDB-OLZOCXBDSA-N 1 0 309.410 1.490 10 0 DDAERO Cc1c(OCC2=[NH+]CCN2)ccc(Cl)c1NS(C)(=O)=O ZINC000049952320 407126055 /nfs/dbraw/zinc/12/60/55/407126055.db2.gz FOYWMEJSRSBQGB-UHFFFAOYSA-N 1 0 317.798 1.400 10 0 investigational DDAERO C[C@H]1CN(C(=O)c2cc(Br)cn2C)C[C@@H]1[NH+](C)C ZINC000089710143 407145156 /nfs/dbraw/zinc/14/51/56/407145156.db2.gz WBPVKRLKUYKEMV-CABZTGNLSA-N 1 0 314.227 1.810 10 0 DDAERO O=[S@](CC1CC[NH2+]CC1)c1cccc(Br)n1 ZINC000095092409 407207032 /nfs/dbraw/zinc/20/70/32/407207032.db2.gz BTKFXCVQPYQMML-INIZCTEOSA-N 1 0 303.225 1.951 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)CNC(=O)OCc2ccccc2)C1 ZINC000063582832 407233280 /nfs/dbraw/zinc/23/32/80/407233280.db2.gz ZXKZVDOQKGGQRC-HNNXBMFYSA-N 1 0 319.405 1.513 10 0 DDAERO CC[C@@](C)(O)C[NH+]1CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC000123634212 407334735 /nfs/dbraw/zinc/33/47/35/407334735.db2.gz PSLNKQHADVZMIS-GOSISDBHSA-N 1 0 322.449 1.982 10 0 DDAERO COc1cccc([C@H](CNC(=O)[C@H]2CC[C@@H](C)O2)[NH+](C)C)c1 ZINC000124580978 407362479 /nfs/dbraw/zinc/36/24/79/407362479.db2.gz WPNGDFOLUSAUIV-UHOFOFEASA-N 1 0 306.406 1.982 10 0 DDAERO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000124402962 407357922 /nfs/dbraw/zinc/35/79/22/407357922.db2.gz HWBAGOBWIJFUFJ-CYBMUJFWSA-N 1 0 321.421 1.588 10 0 DDAERO O=C(C[N@@H+]1CC[C@H](CNc2ccccn2)C1)NCC1CCC1 ZINC000108858379 407391833 /nfs/dbraw/zinc/39/18/33/407391833.db2.gz IEMQTXBOYIDCQL-OAHLLOKOSA-N 1 0 302.422 1.732 10 0 DDAERO C[NH+](C)CCCCCCCNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112746360 407438599 /nfs/dbraw/zinc/43/85/99/407438599.db2.gz ZMYTVNSKEHVCBW-AWEZNQCLSA-N 1 0 322.457 1.404 10 0 DDAERO COC[C@H](C)CNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000181796500 306700216 /nfs/dbraw/zinc/70/02/16/306700216.db2.gz BKWDPJVAXIFYQJ-KGLIPLIRSA-N 1 0 315.458 1.003 10 0 DDAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H]2CC=CCC2)CC1 ZINC000181794548 306700247 /nfs/dbraw/zinc/70/02/47/306700247.db2.gz GEGDPURDMUZFTI-GDBMZVCRSA-N 1 0 309.454 1.829 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(C(=O)/C=C/c2cnc(C)s2)CC1 ZINC000112294510 407425258 /nfs/dbraw/zinc/42/52/58/407425258.db2.gz PHGVKKXPIMVIGJ-IHVVCDCBSA-N 1 0 309.435 1.380 10 0 DDAERO Cc1ccccc1CS(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113305382 407494995 /nfs/dbraw/zinc/49/49/95/407494995.db2.gz RGHZLCYTJLIDRG-HOCLYGCPSA-N 1 0 308.447 1.993 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(OC(F)F)n(C)n1 ZINC000185559384 407452575 /nfs/dbraw/zinc/45/25/75/407452575.db2.gz MUEPKNKKYCLCNF-VHSXEESVSA-N 1 0 314.336 1.330 10 0 DDAERO CCCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](CC)C2)C1 ZINC000195334747 407452727 /nfs/dbraw/zinc/45/27/27/407452727.db2.gz KMCNQQMZSHRAAS-HUUCEWRRSA-N 1 0 324.469 1.419 10 0 DDAERO O=C(Cc1cc2ccccc2[nH]c1=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195332695 407453380 /nfs/dbraw/zinc/45/33/80/407453380.db2.gz VONBZMRSXSLRFI-OAHLLOKOSA-N 1 0 311.385 1.377 10 0 DDAERO CNC(=O)[C@H](NC(=O)NC[C@@H](C)C[NH+]1CCCCC1)C(C)C ZINC000178438955 407455515 /nfs/dbraw/zinc/45/55/15/407455515.db2.gz WOJQCFUYJXVYNC-ZIAGYGMSSA-N 1 0 312.458 1.178 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)OC[C@H]1CCCO1 ZINC000253548311 407459843 /nfs/dbraw/zinc/45/98/43/407459843.db2.gz FZGNZALYYSLHPC-KLHDSHLOSA-N 1 0 310.438 1.656 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000151598954 407461516 /nfs/dbraw/zinc/46/15/16/407461516.db2.gz OEXYAQMTMBMTOB-QWHCGFSZSA-N 1 0 311.426 1.406 10 0 DDAERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000178631347 407519337 /nfs/dbraw/zinc/51/93/37/407519337.db2.gz QGWSBUJIKFNIJU-BBWFWOEESA-N 1 0 305.466 1.948 10 0 DDAERO COCCOc1ccc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170830156 407522097 /nfs/dbraw/zinc/52/20/97/407522097.db2.gz QVQFBXPYFCDIQJ-HNNXBMFYSA-N 1 0 321.421 1.557 10 0 DDAERO COc1ccc(CCNC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1F ZINC000170835929 407525676 /nfs/dbraw/zinc/52/56/76/407525676.db2.gz NNDGARBNQSIUHL-CYBMUJFWSA-N 1 0 309.385 1.722 10 0 DDAERO Cn1cc([C@H](NC(=O)CC[NH+]2CCCCC2)C2CC(O)C2)cn1 ZINC000219096784 407528077 /nfs/dbraw/zinc/52/80/77/407528077.db2.gz YHXHGRXLLVSFKO-PUJMQQBBSA-N 1 0 320.437 1.224 10 0 DDAERO C[C@H]1CC[C@@H](C(=O)NCc2ccc(OCC[NH+](C)C)cc2)O1 ZINC000152002959 407544639 /nfs/dbraw/zinc/54/46/39/407544639.db2.gz OXOBBSYFDDCRPO-BBRMVZONSA-N 1 0 306.406 1.811 10 0 DDAERO CSc1ccc(F)cc1CNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261758019 407604340 /nfs/dbraw/zinc/60/43/40/407604340.db2.gz LOLNAKWQPQQVOU-CQSZACIVSA-N 1 0 312.410 1.918 10 0 DDAERO [NH3+]C1(C(=O)NCc2coc(-c3cccs3)n2)CCOCC1 ZINC000261755897 407604690 /nfs/dbraw/zinc/60/46/90/407604690.db2.gz FPCWZOPKUHAHFQ-UHFFFAOYSA-N 1 0 307.375 1.527 10 0 DDAERO Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C1([NH3+])CCOCC1 ZINC000261847652 407641156 /nfs/dbraw/zinc/64/11/56/407641156.db2.gz MELIUPMCWOZFKE-UHFFFAOYSA-N 1 0 317.389 1.334 10 0 DDAERO Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c(Br)n1 ZINC000130050973 407648772 /nfs/dbraw/zinc/64/87/72/407648772.db2.gz CPHYBZRFIQXDFQ-SNVBAGLBSA-N 1 0 312.211 1.929 10 0 DDAERO [NH3+]C1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCOCC1 ZINC000261889256 407655594 /nfs/dbraw/zinc/65/55/94/407655594.db2.gz QFANWRQBNRZGJG-INIZCTEOSA-N 1 0 323.481 1.609 10 0 DDAERO CO[C@H](CNC(=O)C1([NH3+])CCOCC1)c1cccc(Cl)c1 ZINC000261892537 407656319 /nfs/dbraw/zinc/65/63/19/407656319.db2.gz QTHHDUDQYYRXPM-CYBMUJFWSA-N 1 0 312.797 1.652 10 0 DDAERO O[C@H](Cn1cccn1)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171638326 407730679 /nfs/dbraw/zinc/73/06/79/407730679.db2.gz ROYVXIVSMORBNO-CABCVRRESA-N 1 0 301.394 1.073 10 0 DDAERO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCC(Nc2cccnn2)CC1 ZINC000261902785 407661996 /nfs/dbraw/zinc/66/19/96/407661996.db2.gz FDWVJEDRWVSYIR-AWEZNQCLSA-N 1 0 315.421 1.269 10 0 DDAERO Cc1cccc(N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000262101483 407741933 /nfs/dbraw/zinc/74/19/33/407741933.db2.gz IUEZKXUZOFBZOE-CABCVRRESA-N 1 0 302.422 1.475 10 0 DDAERO C[NH+](C)C[C@H]1CN(c2ccc(Br)cn2)CCO1 ZINC000131583785 407742059 /nfs/dbraw/zinc/74/20/59/407742059.db2.gz TYWIQWVHPGLCGO-NSHDSACASA-N 1 0 300.200 1.611 10 0 DDAERO CC(C)CN(C(=O)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1)C1CC1 ZINC000116322601 407742635 /nfs/dbraw/zinc/74/26/35/407742635.db2.gz QVGBYSKCNXKLBO-CQSZACIVSA-N 1 0 304.438 1.856 10 0 DDAERO CC(C)(C)OC(=O)N1CCC(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)CC1 ZINC000179179229 407746651 /nfs/dbraw/zinc/74/66/51/407746651.db2.gz TWKZVEOFXASMAL-KGLIPLIRSA-N 1 0 314.426 1.061 10 0 DDAERO Cc1cccc(NC(=O)NCC(=O)N(C)CC[C@H]([NH3+])C(C)C)c1 ZINC000236738917 407764586 /nfs/dbraw/zinc/76/45/86/407764586.db2.gz RYQDTOSRQCBPJT-HNNXBMFYSA-N 1 0 320.437 1.948 10 0 DDAERO COC(=O)c1cccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000171806887 407772628 /nfs/dbraw/zinc/77/26/28/407772628.db2.gz LLFXXXGEAJXUKS-AWEZNQCLSA-N 1 0 303.362 1.785 10 0 DDAERO Cc1ccccc1SCC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116788490 407776991 /nfs/dbraw/zinc/77/69/91/407776991.db2.gz GPAHEFHPFALESE-CQSZACIVSA-N 1 0 308.447 1.876 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)c2sccc2OC(F)F)CCO1 ZINC000116795213 407780959 /nfs/dbraw/zinc/78/09/59/407780959.db2.gz XMSZZAVYLFKYGT-VIFPVBQESA-N 1 0 320.361 1.752 10 0 DDAERO Cc1ccc(C(=O)CCC(=O)N2CCO[C@@H](C[NH+](C)C)C2)s1 ZINC000116784405 407777543 /nfs/dbraw/zinc/77/75/43/407777543.db2.gz RIIDSAGLSMTSEC-ZDUSSCGKSA-N 1 0 324.446 1.808 10 0 DDAERO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2NCCO[C@@H]2C)C1 ZINC000262260309 407779221 /nfs/dbraw/zinc/77/92/21/407779221.db2.gz MFINTABOCYSONG-TUVASFSCSA-N 1 0 311.470 1.236 10 0 DDAERO CCCn1cc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)cn1 ZINC000116916827 407799060 /nfs/dbraw/zinc/79/90/60/407799060.db2.gz NECNLMDBIADNHJ-OAHLLOKOSA-N 1 0 300.410 1.842 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1COc2ccccc2C1 ZINC000172250132 407811931 /nfs/dbraw/zinc/81/19/31/407811931.db2.gz OOSMBCMCLRUFQN-FVQBIDKESA-N 1 0 315.417 1.868 10 0 DDAERO CC[C@H]1CN(C(=O)NC2CCSCC2)CC[N@@H+]1CCOC ZINC000172333414 407823335 /nfs/dbraw/zinc/82/33/35/407823335.db2.gz BFZJZRSNNMTRNA-AWEZNQCLSA-N 1 0 315.483 1.634 10 0 DDAERO CC[C@@H]1CN(C(=O)Cc2ccc(C)nc2)CC[N@@H+]1CCOC ZINC000117309382 407830481 /nfs/dbraw/zinc/83/04/81/407830481.db2.gz GSPKYGQFOQSIJI-MRXNPFEDSA-N 1 0 305.422 1.502 10 0 DDAERO Cc1ccc(CNC(=O)CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1F ZINC000262510595 407854788 /nfs/dbraw/zinc/85/47/88/407854788.db2.gz MYKMDCGNDLIOTC-OFQRWUPVSA-N 1 0 305.397 1.419 10 0 DDAERO Cc1cnn(CCNC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000118059653 407881697 /nfs/dbraw/zinc/88/16/97/407881697.db2.gz ODBMELMZRGKIBS-GASCZTMLSA-N 1 0 321.469 1.859 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)CCc2ccccc2)C1 ZINC000173883856 407901848 /nfs/dbraw/zinc/90/18/48/407901848.db2.gz PTWKHIUTPQHPMV-ZBFHGGJFSA-N 1 0 310.463 1.877 10 0 DDAERO CCCC(=O)N[C@H]1CCCN([C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000245202402 407950568 /nfs/dbraw/zinc/95/05/68/407950568.db2.gz YPFDCTCODHTRJE-GOEBONIOSA-N 1 0 321.396 1.733 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)c1cn(C)nc1C ZINC000245428230 407974652 /nfs/dbraw/zinc/97/46/52/407974652.db2.gz WWPCONVNKLCKKY-TZMCWYRMSA-N 1 0 307.442 1.915 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(Cc2nc(CCC(C)C)no2)CC1 ZINC000174071219 407914883 /nfs/dbraw/zinc/91/48/83/407914883.db2.gz NPRBSIQJLJTQNA-AWEZNQCLSA-N 1 0 310.442 1.547 10 0 DDAERO COCCc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000262752664 407916563 /nfs/dbraw/zinc/91/65/63/407916563.db2.gz NYNBAWAGVHKDIM-HIFRSBDPSA-N 1 0 312.435 1.281 10 0 DDAERO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000262759131 407920392 /nfs/dbraw/zinc/92/03/92/407920392.db2.gz IWPOFWUTVJOBRU-CBAPKCEASA-N 1 0 308.325 1.380 10 0 DDAERO C[C@H](NC(N)=O)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000262773580 407925184 /nfs/dbraw/zinc/92/51/84/407925184.db2.gz KLHXXFYFTKQMOS-HZMBPMFUSA-N 1 0 300.362 1.013 10 0 DDAERO COc1cc(CN2CCC[C@@H](NC(C)=O)C2)cc(OC)c1OC ZINC000153916739 407928501 /nfs/dbraw/zinc/92/85/01/407928501.db2.gz RLSRQFLRAFAUMI-CQSZACIVSA-N 1 0 322.405 1.813 10 0 DDAERO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3CNC(=O)C3)cc21 ZINC000174370018 407937124 /nfs/dbraw/zinc/93/71/24/407937124.db2.gz WFERQRKDFRKZTN-ZDUSSCGKSA-N 1 0 314.389 1.278 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnn2ccc(C)nc12 ZINC000175028066 408032596 /nfs/dbraw/zinc/03/25/96/408032596.db2.gz NAFITRQLZBSXOD-UONOGXRCSA-N 1 0 313.405 1.737 10 0 DDAERO CN1CC[NH2+]C[C@H]1c1noc(C(F)(F)c2ccc(F)cc2)n1 ZINC000263147975 408039241 /nfs/dbraw/zinc/03/92/41/408039241.db2.gz CWIOCZIWAYIGMI-NSHDSACASA-N 1 0 312.295 1.925 10 0 DDAERO CN1CC[NH2+]C[C@H]1c1noc(CSCc2cccnc2)n1 ZINC000263172329 408045942 /nfs/dbraw/zinc/04/59/42/408045942.db2.gz FWMGEYVTDJBEHI-LBPRGKRZSA-N 1 0 305.407 1.474 10 0 DDAERO C[C@@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)C[C@H]1N1CCOCC1 ZINC000245709685 408050794 /nfs/dbraw/zinc/05/07/94/408050794.db2.gz FSEJMINKWJWWPR-CXAGYDPISA-N 1 0 300.406 1.715 10 0 DDAERO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000189433941 408014149 /nfs/dbraw/zinc/01/41/49/408014149.db2.gz OEWCDAHMXSFNNV-WFASDCNBSA-N 1 0 303.406 1.992 10 0 DDAERO COc1ccc(CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc1OC ZINC000245790275 408067911 /nfs/dbraw/zinc/06/79/11/408067911.db2.gz VZUKDYFVBMFEMB-KBPBESRZSA-N 1 0 308.422 1.591 10 0 DDAERO CN(C)S(=O)(=O)c1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000245780418 408069092 /nfs/dbraw/zinc/06/90/92/408069092.db2.gz UVNGDZPKMPOFSG-HNNXBMFYSA-N 1 0 323.462 1.217 10 0 DDAERO C[C@@H]1COC[C@H](C)N1CC1(C[N@H+]2[C@H](C)COC[C@@H]2C)COC1 ZINC000119437313 408071115 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C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]1)c1ccc(S(C)(=O)=O)cc1 ZINC000079520104 185173943 /nfs/dbraw/zinc/17/39/43/185173943.db2.gz VGUOZSOBJAXRGE-XHDPSFHLSA-N 1 0 310.419 1.409 10 0 DDAERO C[NH2+][C@@H]1CCOC[C@@H]1S(=O)(=O)c1ccc2ccccc2c1 ZINC000081945602 192345962 /nfs/dbraw/zinc/34/59/62/192345962.db2.gz PYENQCLEEDIDCY-CVEARBPZSA-N 1 0 305.399 1.990 10 0 DDAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000132627051 539189443 /nfs/dbraw/zinc/18/94/43/539189443.db2.gz VQCYNPGVMWCVME-IXDOHACOSA-N 1 0 304.434 1.827 10 0 DDAERO CC[C@@H](C[NH3+])C(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000087532922 185227608 /nfs/dbraw/zinc/22/76/08/185227608.db2.gz RZYYDTAPTPXVKU-QWHCGFSZSA-N 1 0 311.451 1.223 10 0 DDAERO C[C@@H](C[NH3+])S(=O)(=O)NCc1sccc1Br ZINC000087579842 185229092 /nfs/dbraw/zinc/22/90/92/185229092.db2.gz HXQKLHRNMPBXNR-LURJTMIESA-N 1 0 313.242 1.277 10 0 DDAERO CC(C)([NH3+])C(C)(C)C(=O)Nc1cccc(NS(N)(=O)=O)c1 ZINC000087627666 185229576 /nfs/dbraw/zinc/22/95/76/185229576.db2.gz XQPUOLZWTXRJGF-UHFFFAOYSA-N 1 0 314.411 1.004 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1cccc(I)c1 ZINC000088002575 185238071 /nfs/dbraw/zinc/23/80/71/185238071.db2.gz BXMVYRBAMZIWCD-SECBINFHSA-N 1 0 320.130 1.203 10 0 DDAERO C[C@H]1CN(CC(=O)Nc2ncc(Cl)cc2Cl)CC[NH2+]1 ZINC000088060332 185238261 /nfs/dbraw/zinc/23/82/61/185238261.db2.gz FNXMXQDXPDTOGS-QMMMGPOBSA-N 1 0 303.193 1.621 10 0 DDAERO [NH3+]CCCS(=O)(=O)Cc1ccc(F)c(Br)c1 ZINC000088067236 185238546 /nfs/dbraw/zinc/23/85/46/185238546.db2.gz YELKKQNOQUTTCP-UHFFFAOYSA-N 1 0 310.188 1.852 10 0 DDAERO Cc1nn(-c2nc(NN)[nH+]cc2Cl)c(C)c1Br ZINC000087867511 185233798 /nfs/dbraw/zinc/23/37/98/185233798.db2.gz QGWJKLVUKZVAJC-UHFFFAOYSA-N 1 0 317.578 1.981 10 0 DDAERO CCc1ccc([C@H]([NH3+])[C@@H](C)S(=O)(=O)CCC(=O)OC)cc1 ZINC000081974653 192348015 /nfs/dbraw/zinc/34/80/15/192348015.db2.gz DUMIZHHBSFHBRD-IAQYHMDHSA-N 1 0 313.419 1.615 10 0 DDAERO CCOC(=O)CS(=O)(=O)[C@H](C)[C@H]([NH3+])c1ccc(CC)cc1 ZINC000081977253 192348071 /nfs/dbraw/zinc/34/80/71/192348071.db2.gz BMOAFCJXPZFJBP-ABAIWWIYSA-N 1 0 313.419 1.615 10 0 DDAERO O=C1CCCN1C[C@@H](O)C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000179740523 539234746 /nfs/dbraw/zinc/23/47/46/539234746.db2.gz BBDFXDMYIOIULO-HOTGVXAUSA-N 1 0 306.406 1.073 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](CO)Cc2ccccc2)C1 ZINC000249751708 282194066 /nfs/dbraw/zinc/19/40/66/282194066.db2.gz DDMNDCWRHTUTEA-JKSUJKDBSA-N 1 0 305.422 1.374 10 0 DDAERO CCC[C@H]1CC[C@H]([NH2+]C)[C@H](S(=O)(=O)CCC(=O)OC)C1 ZINC000081974894 192348314 /nfs/dbraw/zinc/34/83/14/192348314.db2.gz SXGZWLVXZFEDLI-RWMBFGLXSA-N 1 0 305.440 1.521 10 0 DDAERO NNc1cc(S(=O)(=O)N2CCC[C@@H](C(F)(F)F)C2)cc[nH+]1 ZINC000088432952 185249653 /nfs/dbraw/zinc/24/96/53/185249653.db2.gz LGDJZQNWEQOHDP-MRVPVSSYSA-N 1 0 324.328 1.330 10 0 DDAERO CC(C)[NH2+]CCS(=O)(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000088433039 185249858 /nfs/dbraw/zinc/24/98/58/185249858.db2.gz YVHWILQORKKKNY-JTQLQIEISA-N 1 0 302.362 1.589 10 0 DDAERO COC(=O)[C@@H](CC[N@@H+]1CCC[C@H](C(F)(F)F)C1)NC1CC1 ZINC000088435068 185250076 /nfs/dbraw/zinc/25/00/76/185250076.db2.gz OXOZGWPQDJJIPI-CMPLNLGQSA-N 1 0 308.344 1.944 10 0 DDAERO [NH3+][C@@H]1CCC2(C[C@H]1S(=O)(=O)C1CCCCC1)OCCO2 ZINC000081979342 192348747 /nfs/dbraw/zinc/34/87/47/192348747.db2.gz WYDYGICRUXYFIW-CHWSQXEVSA-N 1 0 303.424 1.357 10 0 DDAERO C[C@H](C[NH2+]Cc1ccc2c(c1)sc(=O)n2C)N1CCOCC1 ZINC000192461890 539259697 /nfs/dbraw/zinc/25/96/97/539259697.db2.gz VMDQQLCRWSGHKD-GFCCVEGCSA-N 1 0 321.446 1.410 10 0 DDAERO COCC[C@@H](C)NS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088551416 185257519 /nfs/dbraw/zinc/25/75/19/185257519.db2.gz JBKYUYFBSQSYNA-LLVKDONJSA-N 1 0 304.412 1.481 10 0 DDAERO Cc1ccc(CO)cc1S(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000088876126 185267850 /nfs/dbraw/zinc/26/78/50/185267850.db2.gz JLTDDFIRDVQQIA-UHFFFAOYSA-N 1 0 312.435 1.202 10 0 DDAERO CC(C)CN(CC[NH+](C)C)S(=O)(=O)c1ccc(CO)cc1 ZINC000088892461 185269801 /nfs/dbraw/zinc/26/98/01/185269801.db2.gz MJTPLRRCPLPQGE-UHFFFAOYSA-N 1 0 314.451 1.387 10 0 DDAERO Cc1cccc(S(=O)(=O)[C@H]2CC3(CC[C@@H]2[NH3+])OCCO3)c1 ZINC000081987051 192351183 /nfs/dbraw/zinc/35/11/83/192351183.db2.gz FXDFTEMESWRCEH-KBPBESRZSA-N 1 0 311.403 1.392 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)/C=C\c2cncc(C(=O)NC)c2)C1 ZINC000254952348 282219524 /nfs/dbraw/zinc/21/95/24/282219524.db2.gz JOJHFAAZBUYWMI-IDTUSYRASA-N 1 0 316.405 1.055 10 0 DDAERO CCN(C1C[NH2+]C1)S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000090291350 185289491 /nfs/dbraw/zinc/28/94/91/185289491.db2.gz OFCMQCUPWDJMRL-UHFFFAOYSA-N 1 0 312.435 1.765 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1CC(=O)Nc1cccnc1Cl ZINC000090337881 185291797 /nfs/dbraw/zinc/29/17/97/185291797.db2.gz LWTHJVGHUJARQM-MNOVXSKESA-N 1 0 308.813 1.603 10 0 DDAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000090489206 185298838 /nfs/dbraw/zinc/29/88/38/185298838.db2.gz VVUFOINYQRFMAM-GZMMTYOYSA-N 1 0 312.753 1.632 10 0 DDAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000090489580 185298940 /nfs/dbraw/zinc/29/89/40/185298940.db2.gz HLPMVKDWMKJKFV-KIDURHIOSA-N 1 0 308.344 1.848 10 0 DDAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000090492202 185299102 /nfs/dbraw/zinc/29/91/02/185299102.db2.gz HCGNMLSFVATDQD-GXFFZTMASA-N 1 0 300.761 1.720 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000090433068 185296158 /nfs/dbraw/zinc/29/61/58/185296158.db2.gz VFOUDIFCLLSSEM-YNEHKIRRSA-N 1 0 310.394 1.713 10 0 DDAERO COc1cc(Cl)c(NC(=O)[C@]2(C)COC[C@H]2[NH3+])cc1OC ZINC000090587299 185305283 /nfs/dbraw/zinc/30/52/83/185305283.db2.gz OWIBAMXWSPVMER-TZMCWYRMSA-N 1 0 314.769 1.660 10 0 DDAERO C[C@]1(C(=O)NCc2cc(Br)cs2)COC[C@@H]1[NH3+] ZINC000090605214 185306100 /nfs/dbraw/zinc/30/61/00/185306100.db2.gz VBAGHPPMNROLFC-ONGXEEELSA-N 1 0 319.224 1.491 10 0 DDAERO CC(C)S(=O)(=O)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000090701089 185310649 /nfs/dbraw/zinc/31/06/49/185310649.db2.gz KTJAWQQENDSLFB-CYBMUJFWSA-N 1 0 306.497 1.628 10 0 DDAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1S(=O)(=O)CCOC ZINC000092388667 185315313 /nfs/dbraw/zinc/31/53/13/185315313.db2.gz JRCXZBAELKCJKX-HUUCEWRRSA-N 1 0 313.419 1.332 10 0 DDAERO COCC[NH2+]CC(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000092495268 185322400 /nfs/dbraw/zinc/32/24/00/185322400.db2.gz BPIFOLKVGREUEW-UHFFFAOYSA-N 1 0 313.785 1.216 10 0 DDAERO COCC[NH2+]CC(=O)N[C@H]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000092495296 185322454 /nfs/dbraw/zinc/32/24/54/185322454.db2.gz DSMZCWFMWAURIU-WDEREUQCSA-N 1 0 312.332 1.229 10 0 DDAERO Nc1nc2cc(Br)cnc2n1CC[NH+]1CCCC1 ZINC000092575857 185326876 /nfs/dbraw/zinc/32/68/76/185326876.db2.gz PGUANPZBKOQCLD-UHFFFAOYSA-N 1 0 310.199 1.872 10 0 DDAERO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1c(N)cccc1F ZINC000092622078 185329928 /nfs/dbraw/zinc/32/99/28/185329928.db2.gz XCDAFASXZYBZMG-JTQLQIEISA-N 1 0 301.387 1.123 10 0 DDAERO C[NH2+][C@@H]1C(=O)Nc2cc(-n3cncn3)c(Br)cc21 ZINC000092776112 185339875 /nfs/dbraw/zinc/33/98/75/185339875.db2.gz PWBKYCRHVKFMMM-JTQLQIEISA-N 1 0 308.139 1.242 10 0 DDAERO CCN(C1(C[NH3+])CCCCC1)S(=O)(=O)c1cn(CC)cn1 ZINC000092889809 185347902 /nfs/dbraw/zinc/34/79/02/185347902.db2.gz GQILIWYDYRWHCT-UHFFFAOYSA-N 1 0 314.455 1.575 10 0 DDAERO CCn1cnc(S(=O)(=O)N2CCC(C[NH2+]C(C)C)CC2)c1 ZINC000092910950 185348439 /nfs/dbraw/zinc/34/84/39/185348439.db2.gz HPVMLFOTNOYRDZ-UHFFFAOYSA-N 1 0 314.455 1.302 10 0 DDAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@@H](Sc1nnnn1C1CC1)C2 ZINC000092860546 185347105 /nfs/dbraw/zinc/34/71/05/185347105.db2.gz HWKVUPZJJDAFPO-QWHCGFSZSA-N 1 0 303.391 1.733 10 0 DDAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000092951510 185350323 /nfs/dbraw/zinc/35/03/23/185350323.db2.gz ZRWDEIZSYRPJMD-ONGXEEELSA-N 1 0 309.797 1.978 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C\SCc2ccco2)C[C@H]1C ZINC000255862872 282281904 /nfs/dbraw/zinc/28/19/04/282281904.db2.gz XTQMPSHUNIBYIQ-PTENIASDSA-N 1 0 324.446 1.940 10 0 DDAERO CN(C)c1ncncc1NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C(F)(F)F ZINC000299745848 529816985 /nfs/dbraw/zinc/81/69/85/529816985.db2.gz SUYIMSDOUUQIDD-RKDXNWHRSA-N 1 0 317.315 1.221 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)NCc2cc(F)ccc2F)s1 ZINC000111406860 185592366 /nfs/dbraw/zinc/59/23/66/185592366.db2.gz YEGKVCIIPWNTBQ-UHFFFAOYSA-N 1 0 318.370 1.964 10 0 DDAERO CC[NH2+][C@@H](C)[C@H]1CCCCN1c1ccc(S(N)(=O)=O)cc1 ZINC000111718297 185630420 /nfs/dbraw/zinc/63/04/20/185630420.db2.gz DZLGJFZATCOOCJ-SWLSCSKDSA-N 1 0 311.451 1.691 10 0 DDAERO [NH3+]CC1(NS(=O)(=O)N2CCc3ccccc3C2)CCCC1 ZINC000111832522 185640656 /nfs/dbraw/zinc/64/06/56/185640656.db2.gz VYBCPCWIQABVMS-UHFFFAOYSA-N 1 0 309.435 1.151 10 0 DDAERO COC(=O)[C@@]1(c2ccc(F)c(Br)c2)CC[NH2+]C1 ZINC000616574178 539559795 /nfs/dbraw/zinc/55/97/95/539559795.db2.gz OZNNWTREXNVBRN-LBPRGKRZSA-N 1 0 302.143 1.992 10 0 DDAERO O=C(NCc1ccccc1CO)c1cn[nH]c1[C@@H]1CCCC[NH2+]1 ZINC000685942799 539566413 /nfs/dbraw/zinc/56/64/13/539566413.db2.gz QSKHFTNAHKQQKJ-HNNXBMFYSA-N 1 0 314.389 1.647 10 0 DDAERO COCCN(CCC[NH+](C)C)S(=O)(=O)c1ccccc1 ZINC000070284726 190877841 /nfs/dbraw/zinc/87/78/41/190877841.db2.gz LBFJXFKFUPDPEV-UHFFFAOYSA-N 1 0 300.424 1.275 10 0 DDAERO Cc1cc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)ccc1N ZINC000070439462 190893275 /nfs/dbraw/zinc/89/32/75/190893275.db2.gz DUJJHPZFCKBLFL-UHFFFAOYSA-N 1 0 311.451 1.540 10 0 DDAERO CC(C)CN(CC[NH+](C)C)S(=O)(=O)c1cccc(F)c1N ZINC000070445937 190894423 /nfs/dbraw/zinc/89/44/23/190894423.db2.gz LMHUORFLEAYJNP-UHFFFAOYSA-N 1 0 317.430 1.616 10 0 DDAERO [NH3+][C@@H]1CCN(c2ncccc2-c2nc(-c3ccncc3)no2)C1 ZINC000070458052 190897537 /nfs/dbraw/zinc/89/75/37/190897537.db2.gz CDXHCJGNCGYBRZ-GFCCVEGCSA-N 1 0 308.345 1.731 10 0 DDAERO COc1cc(CN(C)[C@H]2CC[NH2+]C2)cc(Br)c1O ZINC000071309487 190955928 /nfs/dbraw/zinc/95/59/28/190955928.db2.gz CUKVZNRGVGABSX-JTQLQIEISA-N 1 0 315.211 1.957 10 0 DDAERO C[NH2+][C@H](C[S@@](=O)CCOC)c1ccc(OC)c(OC)c1 ZINC000084035541 192396071 /nfs/dbraw/zinc/39/60/71/192396071.db2.gz LONABTXHHLJYHM-MPBGBICISA-N 1 0 301.408 1.359 10 0 DDAERO C[NH2+][C@@H](C[S@@](=O)c1ccc(S(C)(=O)=O)cc1)C(C)(C)C ZINC000084055638 192397697 /nfs/dbraw/zinc/39/76/97/192397697.db2.gz UZBTUWMROMIUHP-DJJJIMSYSA-N 1 0 317.476 1.832 10 0 DDAERO CN1C[C@H]([NH2+][C@H]2CCS(=O)(=O)c3ccccc32)CCC1=O ZINC000084063017 192399577 /nfs/dbraw/zinc/39/95/77/192399577.db2.gz PPLXLYLKIRIURE-YPMHNXCESA-N 1 0 308.403 1.116 10 0 DDAERO CC(C)[C@@H]1CN(CC(N)=O)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071721353 191014082 /nfs/dbraw/zinc/01/40/82/191014082.db2.gz DXGWOPKPUNKQRZ-INIZCTEOSA-N 1 0 307.413 1.843 10 0 DDAERO NC(=O)c1ccccc1NC(=O)Cc1csc(CCC[NH3+])n1 ZINC000071695564 191008866 /nfs/dbraw/zinc/00/88/66/191008866.db2.gz YDVWJBSOPMBICC-UHFFFAOYSA-N 1 0 318.402 1.315 10 0 DDAERO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NCc1cccnc1 ZINC000140466589 186027052 /nfs/dbraw/zinc/02/70/52/186027052.db2.gz JVKPJBJTHVZLGO-NVXWUHKLSA-N 1 0 303.406 1.325 10 0 DDAERO COC[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000148128816 186042905 /nfs/dbraw/zinc/04/29/05/186042905.db2.gz CMZBOPYTEAHKAO-KWQFWETISA-N 1 0 301.184 1.600 10 0 DDAERO CC(=O)Nc1cccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000171887285 198000759 /nfs/dbraw/zinc/00/07/59/198000759.db2.gz WVGRAPVCYZKGDQ-HNNXBMFYSA-N 1 0 302.378 1.957 10 0 DDAERO NC(=O)c1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000171893835 198002939 /nfs/dbraw/zinc/00/29/39/198002939.db2.gz SCNGVMKUZDIWTN-LLVKDONJSA-N 1 0 306.341 1.237 10 0 DDAERO CNC(=O)CCN(C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000171904950 198005393 /nfs/dbraw/zinc/00/53/93/198005393.db2.gz QEUBFBYKHAWEQZ-OAHLLOKOSA-N 1 0 320.437 1.375 10 0 DDAERO COC[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171906796 198006497 /nfs/dbraw/zinc/00/64/97/198006497.db2.gz YJOQWTGIDVSZER-HZPDHXFCSA-N 1 0 303.406 1.864 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(CO)c1 ZINC000172264060 198067160 /nfs/dbraw/zinc/06/71/60/198067160.db2.gz HKDFCPRTVOLQQH-XJKSGUPXSA-N 1 0 303.406 1.557 10 0 DDAERO Cc1ncsc1CC[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000172535792 198111376 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Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccncc3)C2=O)n(C)n1 ZINC000174343693 198322168 /nfs/dbraw/zinc/32/21/68/198322168.db2.gz SBCGEPNPEAPBIP-ZFWWWQNUSA-N 1 0 313.405 1.970 10 0 DDAERO Nc1nc2ccc(NC(=O)C[NH3+])cc2c(-c2cccc(O)c2)n1 ZINC000117405105 353993997 /nfs/dbraw/zinc/99/39/97/353993997.db2.gz MVVHXOUEIUSNEB-UHFFFAOYSA-N 1 0 309.329 1.482 10 0 DDAERO [NH3+][C@@H]1CCCN(c2ncc(I)cn2)C1 ZINC000126241649 354052106 /nfs/dbraw/zinc/05/21/06/354052106.db2.gz DBTFESGAXOKQKE-MRVPVSSYSA-N 1 0 304.135 1.009 10 0 DDAERO C[NH+](C)C[C@H](NC(=O)COC[C@H]1CCCO1)c1ccccc1 ZINC000126309568 354053447 /nfs/dbraw/zinc/05/34/47/354053447.db2.gz DDKHMRULQUDZAF-CVEARBPZSA-N 1 0 306.406 1.601 10 0 DDAERO CC[C@@H](CC[NH3+])CCC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000079209908 191940319 /nfs/dbraw/zinc/94/03/19/191940319.db2.gz INBIKPOXOKJYRJ-OLZOCXBDSA-N 1 0 304.456 1.177 10 0 DDAERO C[C@@H]1CCCN(S(=O)(=O)Nc2ccc(F)c(C(N)=[NH2+])c2)C1 ZINC000079799373 191973711 /nfs/dbraw/zinc/97/37/11/191973711.db2.gz 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CC[C@H](C)[C@H]1CN(CCCS(=O)(=O)CC)[C@H](C2CC2)C[NH2+]1 ZINC000086982488 192606209 /nfs/dbraw/zinc/60/62/09/192606209.db2.gz ZMEWEIAAKZEHCM-IMJJTQAJSA-N 1 0 316.511 1.910 10 0 DDAERO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000237237506 202199805 /nfs/dbraw/zinc/19/98/05/202199805.db2.gz AERNYVSGHHFTCW-TZMCWYRMSA-N 1 0 304.394 1.407 10 0 DDAERO CC[NH2+]CC1CCN(S(=O)(=O)N2CCCCCCC2)CC1 ZINC000088936565 192661150 /nfs/dbraw/zinc/66/11/50/192661150.db2.gz SOKZFAJGCLYLHQ-UHFFFAOYSA-N 1 0 317.499 1.819 10 0 DDAERO Cc1cc(S(=O)(=O)N(C)Cc2ccncc2)sc1C[NH3+] ZINC000088961866 192670943 /nfs/dbraw/zinc/67/09/43/192670943.db2.gz RADCIRZLQKUNMI-UHFFFAOYSA-N 1 0 311.432 1.731 10 0 DDAERO CCC[NH2+]Cc1ccccc1S(=O)(=O)N(CC)CCOC ZINC000088996066 192687660 /nfs/dbraw/zinc/68/76/60/192687660.db2.gz FPQXINDTUQWFEM-UHFFFAOYSA-N 1 0 314.451 1.843 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)C[C@H](O)c2cccc(F)c2)CCO1 ZINC000180011929 199106617 /nfs/dbraw/zinc/10/66/17/199106617.db2.gz 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192802674 /nfs/dbraw/zinc/80/26/74/192802674.db2.gz SWEVFODNIBFGDI-GXTWGEPZSA-N 1 0 308.447 1.631 10 0 DDAERO C[C@@H](NC(=O)Nc1ccccc1)C(=O)N(C)C1CC[NH2+]CC1 ZINC000237649311 202316693 /nfs/dbraw/zinc/31/66/93/202316693.db2.gz ZHYFPTZBZZTHOT-GFCCVEGCSA-N 1 0 304.394 1.407 10 0 DDAERO [NH3+][C@H]1CC[C@H](C(=O)N2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000237888309 202381139 /nfs/dbraw/zinc/38/11/39/202381139.db2.gz PEWQJMIBYRTBOB-GJZGRUSLSA-N 1 0 307.438 1.365 10 0 DDAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCN(Cc3ccncc3)CC2)C1 ZINC000237892531 202381919 /nfs/dbraw/zinc/38/19/19/202381919.db2.gz BEFTVXANLSGLEI-JKSUJKDBSA-N 1 0 302.422 1.243 10 0 DDAERO COC(=O)[C@@H](C)CN(C)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106907165 291216135 /nfs/dbraw/zinc/21/61/35/291216135.db2.gz FUPRJJYGHOFZMP-DZGCQCFKSA-N 1 0 306.406 1.427 10 0 DDAERO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1c(F)cccc1Cl ZINC000193290829 201021658 /nfs/dbraw/zinc/02/16/58/201021658.db2.gz LWLPURUNBCSOSH-KWQFWETISA-N 1 0 306.790 1.885 10 0 DDAERO CC(=O)N[C@H](CC(=O)N[C@H]1CCC[NH2+][C@@H]1C)c1ccc(C)cc1 ZINC000193584386 201079579 /nfs/dbraw/zinc/07/95/79/201079579.db2.gz HCSCZIALWQZQST-XOKHGSTOSA-N 1 0 317.433 1.819 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(C(=O)OC)ccn1 ZINC000193782371 201122617 /nfs/dbraw/zinc/12/26/17/201122617.db2.gz KQHZICRQWUOKDG-ZDUSSCGKSA-N 1 0 320.393 1.816 10 0 DDAERO COC(=O)[C@@H](c1ccccc1C)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000248630245 291288500 /nfs/dbraw/zinc/28/85/00/291288500.db2.gz RLPYFBNIZBMOSJ-GOEBONIOSA-N 1 0 306.406 1.472 10 0 DDAERO COC(=O)CCC[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195279671 201372676 /nfs/dbraw/zinc/37/26/76/201372676.db2.gz IVVQXHZTGBTOKX-MRXNPFEDSA-N 1 0 305.422 1.789 10 0 DDAERO [NH3+]CCCc1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090921410 192946291 /nfs/dbraw/zinc/94/62/91/192946291.db2.gz ZTAMFFPGIQOTOC-OKILXGFUSA-N 1 0 310.419 1.130 10 0 DDAERO C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1noc(Cc2ccccc2)n1 ZINC000246515969 202597447 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CN(C)C(=O)C[C@H](C[NH3+])Nc1ccccc1Br ZINC000091322431 193040995 /nfs/dbraw/zinc/04/09/95/193040995.db2.gz AVLSMXFAVFCQER-SECBINFHSA-N 1 0 300.200 1.667 10 0 DDAERO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc(N)ccc2F)C1 ZINC000091391731 193051243 /nfs/dbraw/zinc/05/12/43/193051243.db2.gz QTYJHSAKFXQKMG-LLVKDONJSA-N 1 0 301.387 1.123 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(Br)c(C)n1 ZINC000091507155 193066991 /nfs/dbraw/zinc/06/69/91/193066991.db2.gz UUHVTFZHJCGTQK-SCZZXKLOSA-N 1 0 314.183 1.325 10 0 DDAERO CC[NH2+][C@@H](Cc1c(Br)c(CC)nn1C)CN(C)C ZINC000091719758 193096830 /nfs/dbraw/zinc/09/68/30/193096830.db2.gz CSJBDIPEEDACAN-JTQLQIEISA-N 1 0 317.275 1.827 10 0 DDAERO C[NH2+]C1CCC(N(C)S(=O)(=O)c2cncc(F)c2)CC1 ZINC000091869989 193121184 /nfs/dbraw/zinc/12/11/84/193121184.db2.gz NJXIFTOEPLWIIC-UHFFFAOYSA-N 1 0 301.387 1.372 10 0 DDAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)nc1 ZINC000092113743 193161790 /nfs/dbraw/zinc/16/17/90/193161790.db2.gz FGKHRQNCHKEQEP-BETUJISGSA-N 1 0 311.451 1.856 10 0 DDAERO CCS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)cc1 ZINC000092204296 193173278 /nfs/dbraw/zinc/17/32/78/193173278.db2.gz LENUBZJZMSZZCD-MNOVXSKESA-N 1 0 309.391 1.290 10 0 DDAERO CCN(CC(C)(C)O)S(=O)(=O)c1cc(C[NH3+])ccc1C ZINC000092971614 193190722 /nfs/dbraw/zinc/19/07/22/193190722.db2.gz FIZSJIRXPMAUEF-UHFFFAOYSA-N 1 0 300.424 1.235 10 0 DDAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H]2CCc3ccccc32)cn1 ZINC000261907947 203149169 /nfs/dbraw/zinc/14/91/69/203149169.db2.gz INQAQZZUKXHUAO-IXDOHACOSA-N 1 0 310.401 1.527 10 0 DDAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCc2ccc(F)cc2F)cn1 ZINC000261934862 203157920 /nfs/dbraw/zinc/15/79/20/203157920.db2.gz MDFVSRFHZGSIAT-KGLIPLIRSA-N 1 0 320.343 1.318 10 0 DDAERO COCC[NH2+]C[C@H](c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000093138009 193207404 /nfs/dbraw/zinc/20/74/04/193207404.db2.gz LHQSSEAXQUWDID-JKSUJKDBSA-N 1 0 311.447 1.749 10 0 DDAERO Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c(OCC2CC2)c1 ZINC000262337599 203266541 /nfs/dbraw/zinc/26/65/41/203266541.db2.gz FVDGTOYSDHJLKM-CABCVRRESA-N 1 0 304.390 1.123 10 0 DDAERO C[NH+](C)CCN1CCN(c2cccc(F)c2C(N)=S)CC1 ZINC000093407676 193245263 /nfs/dbraw/zinc/24/52/63/193245263.db2.gz HWTDYNVAXINHNQ-UHFFFAOYSA-N 1 0 310.442 1.144 10 0 DDAERO NC(=[NH2+])c1c(F)cccc1N1CCN(c2nccs2)CC1 ZINC000093408700 193245970 /nfs/dbraw/zinc/24/59/70/193245970.db2.gz KHBONUNFCKZCDS-UHFFFAOYSA-N 1 0 305.382 1.893 10 0 DDAERO COc1ccc([C@H](O)CNC(=O)[C@@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000262671529 203376532 /nfs/dbraw/zinc/37/65/32/203376532.db2.gz RUVVYLHWYQSFGQ-SJORKVTESA-N 1 0 314.385 1.853 10 0 DDAERO [NH2+]=C1NC[C@@]2(CCCS(=O)(=O)C2)N1c1ccccc1Cl ZINC000093378419 193240932 /nfs/dbraw/zinc/24/09/32/193240932.db2.gz CJRSTVYLCOTZGZ-CYBMUJFWSA-N 1 0 313.810 1.422 10 0 DDAERO C[C@H]([NH3+])c1cccc(NC(=O)NCC(C)(C)S(C)(=O)=O)c1 ZINC000093535723 193266475 /nfs/dbraw/zinc/26/64/75/193266475.db2.gz RDRSCGDRRXSXPP-JTQLQIEISA-N 1 0 313.423 1.651 10 0 DDAERO COC(=O)[C@]1([NH3+])CCC[C@H]1CCn1ccc(C(F)(F)F)n1 ZINC000093598793 193272943 /nfs/dbraw/zinc/27/29/43/193272943.db2.gz JNGPEHKHRWLVOD-CABZTGNLSA-N 1 0 305.300 1.963 10 0 DDAERO C[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCn1ccc(C(F)(F)F)n1 ZINC000093598781 193273353 /nfs/dbraw/zinc/27/33/53/193273353.db2.gz PIEXJOOMZDOBPT-BXKDBHETSA-N 1 0 304.316 1.536 10 0 DDAERO Cc1nnc(SCC[C@@H]2CCC[C@@]2(CO)[NH2+]C2CC2)n1C ZINC000093622275 193275704 /nfs/dbraw/zinc/27/57/04/193275704.db2.gz OEHKOIBNDUBAJY-WFASDCNBSA-N 1 0 310.467 1.889 10 0 DDAERO [NH3+][C@H]1CCC[C@@H]1CCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000093623356 193275831 /nfs/dbraw/zinc/27/58/31/193275831.db2.gz ICXBPIKRDOLEOW-YPMHNXCESA-N 1 0 311.403 1.749 10 0 DDAERO Cc1nc(SCC[C@@H]2CCC[C@@]2([NH2+]C(C)C)C(N)=O)n[nH]1 ZINC000093630058 193276107 /nfs/dbraw/zinc/27/61/07/193276107.db2.gz GYKIIIAINSWNSZ-FZMZJTMJSA-N 1 0 311.455 1.618 10 0 DDAERO CC[NH2+][C@]1(C(N)=O)CCC[C@H]1CCSc1nncs1 ZINC000093629338 193276608 /nfs/dbraw/zinc/27/66/08/193276608.db2.gz RBQYGEXBRDYKGL-JOYOIKCWSA-N 1 0 300.453 1.654 10 0 DDAERO C[C@H]([NH3+])c1ccccc1OC[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093695921 193290340 /nfs/dbraw/zinc/29/03/40/193290340.db2.gz ZYDTWZJUJLMMNR-STQMWFEESA-N 1 0 312.435 1.757 10 0 DDAERO CCN(CCC[NH2+]Cc1cc(C)n(CC)c1C)S(C)(=O)=O ZINC000093694855 193290988 /nfs/dbraw/zinc/29/09/88/193290988.db2.gz IQXVEXYZCOZIKJ-UHFFFAOYSA-N 1 0 315.483 1.886 10 0 DDAERO CCC[NH2+]C1CCN(C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093695714 193291011 /nfs/dbraw/zinc/29/10/11/193291011.db2.gz XROIJDJJDUBDFE-CQSZACIVSA-N 1 0 317.499 1.122 10 0 DDAERO CC[NH+](CC)CC[C@H](O)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093699749 193293566 /nfs/dbraw/zinc/29/35/66/193293566.db2.gz NMTCJVZLYIGJBD-KBPBESRZSA-N 1 0 306.472 1.141 10 0 DDAERO CC[NH2+][C@H](CSCC)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700425 193294001 /nfs/dbraw/zinc/29/40/01/193294001.db2.gz ZYXPBTDTMMXQAR-STQMWFEESA-N 1 0 308.513 1.779 10 0 DDAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@@H](Sc2nncs2)C1 ZINC000093777991 193304614 /nfs/dbraw/zinc/30/46/14/193304614.db2.gz VQWMQXQPNRMPCO-SKDRFNHKSA-N 1 0 300.453 1.797 10 0 DDAERO CS(=O)(=O)CCS[C@H]1CCC[C@](CO)([NH2+]C2CC2)C1 ZINC000093786000 193307636 /nfs/dbraw/zinc/30/76/36/193307636.db2.gz FRWRABOQODNQDB-STQMWFEESA-N 1 0 307.481 1.190 10 0 DDAERO CN(C)c1nnc(S[C@@H]2CC[C@@](CO)([NH2+]C3CC3)C2)s1 ZINC000093859811 193320424 /nfs/dbraw/zinc/32/04/24/193320424.db2.gz LKTHTALMYGXNMN-ZWNOBZJWSA-N 1 0 314.480 1.732 10 0 DDAERO CCN(CC(C)(C)C[NH3+])c1ccc(S(N)(=O)=O)cc1F ZINC000093892345 193323654 /nfs/dbraw/zinc/32/36/54/193323654.db2.gz KZUZKEUEPFDRBG-UHFFFAOYSA-N 1 0 303.403 1.284 10 0 DDAERO CN(CC1CC[NH2+]CC1)S(=O)(=O)c1c[nH]c2ncccc12 ZINC000094023688 193339081 /nfs/dbraw/zinc/33/90/81/193339081.db2.gz ZPDOVUJLIKQFKY-UHFFFAOYSA-N 1 0 308.407 1.183 10 0 DDAERO CCc1nn(C)c(C[C@@H]([NH3+])[C@@H]2CN(C(C)C)CCO2)c1Cl ZINC000093925694 193328489 /nfs/dbraw/zinc/32/84/89/193328489.db2.gz VMZWNRFLOXSCQI-RISCZKNCSA-N 1 0 314.861 1.615 10 0 DDAERO CC[NH2+][C@@H](C)c1cc(F)ccc1N(C)CCS(C)(=O)=O ZINC000094298854 193357845 /nfs/dbraw/zinc/35/78/45/193357845.db2.gz BHAJPFCGIZJRTH-NSHDSACASA-N 1 0 302.415 1.977 10 0 DDAERO CN(CCS(C)(=O)=O)CC1(C[NH2+]C2CC2)CCCCC1 ZINC000094300552 193358755 /nfs/dbraw/zinc/35/87/55/193358755.db2.gz XKVVCUAYMVXKSJ-UHFFFAOYSA-N 1 0 302.484 1.665 10 0 DDAERO CCc1nc(N(C)CCS(C)(=O)=O)sc1C[NH2+]C1CC1 ZINC000094301243 193358943 /nfs/dbraw/zinc/35/89/43/193358943.db2.gz WVIIOWANUJJTLJ-UHFFFAOYSA-N 1 0 317.480 1.438 10 0 DDAERO C[NH2+][C@@H](CCN(C)CCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000094300506 193359043 /nfs/dbraw/zinc/35/90/43/193359043.db2.gz HHWMWSAAWDTRIT-AWEZNQCLSA-N 1 0 318.870 1.967 10 0 DDAERO CS(=O)(=O)CCSc1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094337290 193361150 /nfs/dbraw/zinc/36/11/50/193361150.db2.gz FEWXBQYKRUSWBS-UHFFFAOYSA-N 1 0 314.354 1.696 10 0 DDAERO CC[C@@H]([NH3+])Cc1cc(F)c(O[C@H]2CCS(=O)(=O)C2)c(F)c1 ZINC000094350639 193364528 /nfs/dbraw/zinc/36/45/28/193364528.db2.gz NMBFIRYVSRHBNN-MNOVXSKESA-N 1 0 319.373 1.811 10 0 DDAERO CC[NH2+]Cc1ccc(O[C@H]2CCC[C@@H](S(C)(=O)=O)C2)cn1 ZINC000094634585 193386219 /nfs/dbraw/zinc/38/62/19/193386219.db2.gz GXLZVQFNYUGIRK-DZGCQCFKSA-N 1 0 312.435 1.926 10 0 DDAERO Cc1c(F)cc(N)cc1S(=O)(=O)NCC(C)(C)[NH+](C)C ZINC000094360348 193366140 /nfs/dbraw/zinc/36/61/40/193366140.db2.gz XDMAKGKKSDFFTD-UHFFFAOYSA-N 1 0 303.403 1.335 10 0 DDAERO O=S1(=O)CC[C@@H]([NH2+][C@@H]2CCOC3(CCSCC3)C2)C1 ZINC000094365002 193366996 /nfs/dbraw/zinc/36/69/96/193366996.db2.gz CNGXONLEUMHCDY-VXGBXAGGSA-N 1 0 305.465 1.208 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)Cc1cccc(N)c1 ZINC000094457179 193371366 /nfs/dbraw/zinc/37/13/66/193371366.db2.gz WYBPLSIZMJSRGF-SWLSCSKDSA-N 1 0 309.435 1.267 10 0 DDAERO Brc1cn2ccnc2c(OCC[NH+]2CCCC2)n1 ZINC000094486069 193372654 /nfs/dbraw/zinc/37/26/54/193372654.db2.gz ZMAKBKAATYKLSY-UHFFFAOYSA-N 1 0 311.183 1.966 10 0 DDAERO C[N@@H+]1CC[C@@H](CNc2nc(Br)cn3ccnc23)C1 ZINC000094487841 193372673 /nfs/dbraw/zinc/37/26/73/193372673.db2.gz UOOJMIFSIITWLT-VIFPVBQESA-N 1 0 310.199 1.855 10 0 DDAERO CC1(C)CSC[C@](C[NH3+])(N2CC[C@H](N3CCOCC3)C2)C1 ZINC000094489555 193373526 /nfs/dbraw/zinc/37/35/26/193373526.db2.gz YIRXUAHUSRTQRS-HOCLYGCPSA-N 1 0 313.511 1.254 10 0 DDAERO [NH3+][C@H](c1cc(Br)ccc1F)[C@H]1CN2CCN1CC2 ZINC000094508888 193375923 /nfs/dbraw/zinc/37/59/23/193375923.db2.gz AJHFPKIDKTURDL-CHWSQXEVSA-N 1 0 314.202 1.588 10 0 DDAERO [NH3+]Cc1nc([C@H]2CN3CCN2CC3)sc1-c1ccccc1 ZINC000094511379 193376072 /nfs/dbraw/zinc/37/60/72/193376072.db2.gz IBXMKUWMIGBARD-CQSZACIVSA-N 1 0 300.431 1.941 10 0 DDAERO COC(=O)c1cc(Cl)ccc1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094565947 193380821 /nfs/dbraw/zinc/38/08/21/193380821.db2.gz VHSTVDGAMHQPKH-SKDRFNHKSA-N 1 0 312.753 1.571 10 0 DDAERO CNC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)c1 ZINC000094566651 193380972 /nfs/dbraw/zinc/38/09/72/193380972.db2.gz VHMJTMNZHSMRTJ-SKDRFNHKSA-N 1 0 311.769 1.144 10 0 DDAERO O[C@H]1CCC[N@H+](CCNc2nncc(-c3ccccc3F)n2)C1 ZINC000014948093 181977340 /nfs/dbraw/zinc/97/73/40/181977340.db2.gz RZAGWDYJSIPSTI-LBPRGKRZSA-N 1 0 317.368 1.546 10 0 DDAERO O=S(=O)(c1ccc([C@H]2CSCC[NH2+]2)cc1)N1CCCC1 ZINC000019772791 182145390 /nfs/dbraw/zinc/14/53/90/182145390.db2.gz QUBFWKADXUIVRY-CQSZACIVSA-N 1 0 312.460 1.849 10 0 DDAERO CCCN(CCC)S(=O)(=O)c1cc(C[NH3+])ccc1OC ZINC000020189753 182195342 /nfs/dbraw/zinc/19/53/42/182195342.db2.gz RZRZYXFQLBXHOC-UHFFFAOYSA-N 1 0 300.424 1.965 10 0 DDAERO Cc1ccc2n1CCN(C(=O)c1csc(CC[NH3+])n1)[C@@H]2C ZINC000097674890 193745314 /nfs/dbraw/zinc/74/53/14/193745314.db2.gz BIYQVXLVFVMOCK-LLVKDONJSA-N 1 0 304.419 1.971 10 0 DDAERO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)c1cccc(O)c1 ZINC000021019780 182261153 /nfs/dbraw/zinc/26/11/53/182261153.db2.gz MZTDIASXNOOGIW-LLVKDONJSA-N 1 0 306.387 1.890 10 0 DDAERO COc1cnn(CC[NH+](C)C)c1[C@H](NN)c1ccc(C)s1 ZINC000097783832 193757541 /nfs/dbraw/zinc/75/75/41/193757541.db2.gz PQVBCEAWZJXXGG-CYBMUJFWSA-N 1 0 309.439 1.376 10 0 DDAERO C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1S(=O)(=O)c1ccc(Cl)s1 ZINC000036266518 182811131 /nfs/dbraw/zinc/81/11/31/182811131.db2.gz JNYONYMUBFMUQL-HLTSFMKQSA-N 1 0 306.840 1.772 10 0 DDAERO CC[C@H](NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccncc1 ZINC000175307632 248397891 /nfs/dbraw/zinc/39/78/91/248397891.db2.gz YCJXPFVTBOGRBQ-CVEARBPZSA-N 1 0 320.437 1.679 10 0 DDAERO CN(C(=O)CC[N@@H+]1CCC[C@@H](n2cncn2)C1)c1ccccc1 ZINC000179214475 248518442 /nfs/dbraw/zinc/51/84/42/248518442.db2.gz HVRWHWNCGRFTSR-MRXNPFEDSA-N 1 0 313.405 1.968 10 0 DDAERO O=C1C(C[NH2+]CCCn2ccnc2)=CC2=CC=C[C@H]3CCN1[C@H]23 ZINC000039287532 183016420 /nfs/dbraw/zinc/01/64/20/183016420.db2.gz JLBPPPPDSRKOMD-YOEHRIQHSA-N 1 0 310.401 1.516 10 0 DDAERO CN1CC[NH+](CCCC(=O)Nc2ccc(Cl)cc2N)CC1 ZINC000040162755 183042841 /nfs/dbraw/zinc/04/28/41/183042841.db2.gz NTDWFBXYWGKMPP-UHFFFAOYSA-N 1 0 310.829 1.888 10 0 DDAERO C[C@@H]1CCN(C(=O)NC[C@@H]2CCCn3ccnc32)[C@@H](C[NH3+])C1 ZINC000333650155 249056090 /nfs/dbraw/zinc/05/60/90/249056090.db2.gz VQQACBKZTLZOMY-HZSPNIEDSA-N 1 0 305.426 1.529 10 0 DDAERO CC(C)[C@H](CNS(=O)(=O)c1cnc(Cl)s1)[NH+](C)C ZINC000040803528 183136238 /nfs/dbraw/zinc/13/62/38/183136238.db2.gz HRWAELPIMHDSCS-QMMMGPOBSA-N 1 0 311.860 1.661 10 0 DDAERO CN(C)S(=O)(=O)c1ccc(N[C@H]2CCC[N@H+](C)C2)c(N)c1 ZINC000040715750 183123099 /nfs/dbraw/zinc/12/30/99/183123099.db2.gz QVBULABYVVADGM-NSHDSACASA-N 1 0 312.439 1.025 10 0 DDAERO CN(C)C(=O)Cc1nc(CN2[C@@H]3CC[C@H]2CC([NH3+])C3)cs1 ZINC000040750296 183128876 /nfs/dbraw/zinc/12/88/76/183128876.db2.gz SCTYRPLWPMNKRL-VGPLMAKISA-N 1 0 308.451 1.228 10 0 DDAERO CC(C)[C@@H](NS(=O)(=O)N1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000040860757 183143746 /nfs/dbraw/zinc/14/37/46/183143746.db2.gz JDBQXHLGCVEQFF-CQSZACIVSA-N 1 0 315.414 1.262 10 0 DDAERO C[NH2+][C@@H](C)c1ccc(NC(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000041716483 183218185 /nfs/dbraw/zinc/21/81/85/183218185.db2.gz NSMLGXYBUAQNNX-NSHDSACASA-N 1 0 311.407 1.229 10 0 DDAERO CCCN[C@](C)(CN(CCC)CC[NH+](C)C)C(=O)OCC ZINC000041674792 183215351 /nfs/dbraw/zinc/21/53/51/183215351.db2.gz AQUFUJWAAWIKJW-MRXNPFEDSA-N 1 0 301.475 1.581 10 0 DDAERO CC(C)N1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000042308902 183253687 /nfs/dbraw/zinc/25/36/87/183253687.db2.gz BVWYOTQPGQZYOP-PEUVFPKISA-N 1 0 300.468 1.272 10 0 DDAERO CCCN(CC(=O)NC)c1nc2sccn2c1C[NH2+]CC ZINC000042405631 183265439 /nfs/dbraw/zinc/26/54/39/183265439.db2.gz MTHZJKDXAZPHIK-UHFFFAOYSA-N 1 0 309.439 1.468 10 0 DDAERO C[NH2+]Cc1c(N2CCC(CC(N)=O)CC2)nc2sccn12 ZINC000042438317 183270275 /nfs/dbraw/zinc/27/02/75/183270275.db2.gz BQRUIZDGALPDEQ-UHFFFAOYSA-N 1 0 307.423 1.207 10 0 DDAERO CC[NH2+]Cc1c(Cl)cccc1N(C)CC(=O)NCCOC ZINC000042438323 183270655 /nfs/dbraw/zinc/27/06/55/183270655.db2.gz ZOTLHCCOKSBOJI-UHFFFAOYSA-N 1 0 313.829 1.648 10 0 DDAERO [NH3+]C1CC(NS(=O)(=O)c2sccc2Br)C1 ZINC000042524553 183280468 /nfs/dbraw/zinc/28/04/68/183280468.db2.gz FIQOBZWWZHMDSA-UHFFFAOYSA-N 1 0 311.226 1.279 10 0 DDAERO COc1ccc(Br)c(C(=O)N[C@@H]2CC[N@H+](C)C2)c1 ZINC000042374793 183260788 /nfs/dbraw/zinc/26/07/88/183260788.db2.gz XZBPPCPBRCRLPE-SECBINFHSA-N 1 0 313.195 1.892 10 0 DDAERO CC[NH+]1CCC(N(C)C(=O)c2cccc(C(N)=S)c2)CC1 ZINC000042681563 183296560 /nfs/dbraw/zinc/29/65/60/183296560.db2.gz COLVWUVTUHEPRF-UHFFFAOYSA-N 1 0 305.447 1.877 10 0 DDAERO CCN(CC(F)(F)F)S(=O)(=O)c1cccc2c1CC[NH2+]C2 ZINC000042781286 183308296 /nfs/dbraw/zinc/30/82/96/183308296.db2.gz NWANMKBPEXGFAN-UHFFFAOYSA-N 1 0 322.352 1.905 10 0 DDAERO C[NH2+][C@@H](c1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000043300580 183352055 /nfs/dbraw/zinc/35/20/55/183352055.db2.gz ZLNXBCXHQPQXPE-JOYOIKCWSA-N 1 0 305.346 1.983 10 0 DDAERO C[C@@H]([NH3+])[C@@H](Oc1ccc(S(C)(=O)=O)cc1)c1ccncc1 ZINC000043356233 183356774 /nfs/dbraw/zinc/35/67/74/183356774.db2.gz BZNNLRROQCICBZ-IAQYHMDHSA-N 1 0 306.387 1.952 10 0 DDAERO [NH3+][C@H](CN1C(=O)COCC1=O)c1cccc(C(F)(F)F)c1 ZINC000043513045 183369358 /nfs/dbraw/zinc/36/93/58/183369358.db2.gz ZRQJBMQNVYLNSZ-SNVBAGLBSA-N 1 0 302.252 1.091 10 0 DDAERO CC[NH2+][C@@H]1CCC2(C[C@@H]1N(CC)[C@@H](C)COC)OCCO2 ZINC000043981493 183391592 /nfs/dbraw/zinc/39/15/92/183391592.db2.gz VBPGECNEORMBLF-ZNMIVQPWSA-N 1 0 300.443 1.617 10 0 DDAERO NC(=S)C1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCCCCC1 ZINC000044782912 183439071 /nfs/dbraw/zinc/43/90/71/183439071.db2.gz YCGGALAZLPAFSA-LBPRGKRZSA-N 1 0 309.479 1.966 10 0 DDAERO CCOC1CC[NH+](CC[C@@](C)(NC(C)C)C(=O)OC)CC1 ZINC000045273435 183492960 /nfs/dbraw/zinc/49/29/60/183492960.db2.gz XLVNILKIXWMQTQ-MRXNPFEDSA-N 1 0 300.443 1.807 10 0 DDAERO C[C@H](CNC(=O)c1cc(N)ccc1Br)[NH+](C)C ZINC000045624518 183519865 /nfs/dbraw/zinc/51/98/65/183519865.db2.gz GLGAOONJDGKQBV-MRVPVSSYSA-N 1 0 300.200 1.711 10 0 DDAERO CN(CCNC(=O)N1CC[C@H]([NH+](C)C)C1)C(=O)OC(C)(C)C ZINC000105248400 194089458 /nfs/dbraw/zinc/08/94/58/194089458.db2.gz SCTMBPWRLVOGEN-LBPRGKRZSA-N 1 0 314.430 1.199 10 0 DDAERO CN1CCO[C@@H](CNC(=O)NCCCCCCC[NH+](C)C)C1 ZINC000105194335 194083825 /nfs/dbraw/zinc/08/38/25/194083825.db2.gz WHJCXFNWNGYCDJ-HNNXBMFYSA-N 1 0 314.474 1.128 10 0 DDAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000105815190 194135007 /nfs/dbraw/zinc/13/50/07/194135007.db2.gz CUAQFDVUVVBYIC-OAHLLOKOSA-N 1 0 317.437 1.754 10 0 DDAERO Cc1noc(C)c1C[N@H+]1CCC[C@@](O)(c2cn(C(C)C)nn2)C1 ZINC000284948536 218247116 /nfs/dbraw/zinc/24/71/16/218247116.db2.gz DXPXUCANTITEHP-INIZCTEOSA-N 1 0 319.409 1.947 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2cccc(C(N)=O)c2)C[C@H]1CC ZINC000105838291 194144692 /nfs/dbraw/zinc/14/46/92/194144692.db2.gz RFMWBXFPCVZQOK-QGZVFWFLSA-N 1 0 319.449 1.718 10 0 DDAERO CCc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cc1 ZINC000105870890 194152357 /nfs/dbraw/zinc/15/23/57/194152357.db2.gz IIMQYMMJUYJFAB-SWLSCSKDSA-N 1 0 313.405 1.772 10 0 DDAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)N(C(C)C)C(C)C)CC2 ZINC000105873066 194152543 /nfs/dbraw/zinc/15/25/43/194152543.db2.gz OFDQZYUNUUUNSY-UONOGXRCSA-N 1 0 321.469 1.779 10 0 DDAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000105874137 194152963 /nfs/dbraw/zinc/15/29/63/194152963.db2.gz OEVNIYKEVHQRQG-STQMWFEESA-N 1 0 321.469 1.999 10 0 DDAERO CCCCNC(=O)[C@@H](C)[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000105874083 194153623 /nfs/dbraw/zinc/15/36/23/194153623.db2.gz SLAQHSXMZHJIMC-OLZOCXBDSA-N 1 0 307.442 1.611 10 0 DDAERO CC(C)(C)NC(=O)NC(=O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886161 194157449 /nfs/dbraw/zinc/15/74/49/194157449.db2.gz CHGMPRPDGAWVCJ-UHFFFAOYSA-N 1 0 321.425 1.219 10 0 DDAERO C[C@H](C(=O)N1CCCCC1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105920218 194171798 /nfs/dbraw/zinc/17/17/98/194171798.db2.gz VCKHKMNRMQDCDR-OAHLLOKOSA-N 1 0 304.438 1.996 10 0 DDAERO CSc1ccc(NC(=O)[C@H](C)[NH2+]C[C@H]2CN(C)CCO2)cc1 ZINC000105933058 194173584 /nfs/dbraw/zinc/17/35/84/194173584.db2.gz SGBVMRWUXCSDOV-JSGCOSHPSA-N 1 0 323.462 1.656 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(CCOC)C2CC2)cc1 ZINC000049039213 183704226 /nfs/dbraw/zinc/70/42/26/183704226.db2.gz ZZILHYZLLYUXJP-UHFFFAOYSA-N 1 0 312.435 1.596 10 0 DDAERO CN(C[C@H]1CCCCO1)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000048949925 183698783 /nfs/dbraw/zinc/69/87/83/183698783.db2.gz QNLACMKTUWFQBT-OAHLLOKOSA-N 1 0 312.435 1.476 10 0 DDAERO NC(=O)CCC[NH2+]CCOc1ccc(Br)cc1 ZINC000049596029 183745182 /nfs/dbraw/zinc/74/51/82/183745182.db2.gz DVXJBCGPEVWAJN-UHFFFAOYSA-N 1 0 301.184 1.683 10 0 DDAERO C[NH2+]CCS(=O)(=O)N[C@H](C)c1cccc(Br)c1 ZINC000049630466 183749526 /nfs/dbraw/zinc/74/95/26/183749526.db2.gz ZRKIKDCEHUPJEL-SECBINFHSA-N 1 0 321.240 1.649 10 0 DDAERO CC[NH+](CC)CCCNS(=O)(=O)c1ccnc(NC)c1 ZINC000050640873 183793657 /nfs/dbraw/zinc/79/36/57/183793657.db2.gz LADQAVWQQBTVFH-UHFFFAOYSA-N 1 0 300.428 1.134 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000109471460 194266465 /nfs/dbraw/zinc/26/64/65/194266465.db2.gz FQZFPQXGHRWGJI-LLVKDONJSA-N 1 0 321.475 1.878 10 0 DDAERO CC(C)(C[NH3+])N1CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000109456715 194264783 /nfs/dbraw/zinc/26/47/83/194264783.db2.gz SBQKPISZWNQCNM-UHFFFAOYSA-N 1 0 302.344 1.960 10 0 DDAERO CC(C)(C(N)=S)[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000109465701 194266580 /nfs/dbraw/zinc/26/65/80/194266580.db2.gz YBPKPJTWZSMTTP-UHFFFAOYSA-N 1 0 307.419 1.215 10 0 DDAERO CCCCOCCN1CC[NH+]([C@@H](CCC)C(N)=S)CC1 ZINC000109470031 194267031 /nfs/dbraw/zinc/26/70/31/194267031.db2.gz CFLHWTZMCSTLHT-AWEZNQCLSA-N 1 0 301.500 1.876 10 0 DDAERO CC(C)C[NH2+]CC1(CN2CCS(=O)(=O)CC2)CCCCC1 ZINC000051217985 183820232 /nfs/dbraw/zinc/82/02/32/183820232.db2.gz BVEFLSBACKXIHR-UHFFFAOYSA-N 1 0 316.511 1.913 10 0 DDAERO CN(Cc1ccccc1)S(=O)(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000110792423 194359214 /nfs/dbraw/zinc/35/92/14/194359214.db2.gz UWQCODVDBWQPHA-AWEZNQCLSA-N 1 0 311.451 1.343 10 0 DDAERO CCc1ccc(C(=O)NC2CC[NH+](CC(N)=S)CC2)s1 ZINC000110825936 194361682 /nfs/dbraw/zinc/36/16/82/194361682.db2.gz AWLKMPIHRDLAHS-UHFFFAOYSA-N 1 0 311.476 1.791 10 0 DDAERO COc1ccccc1[C@H](SCCS(C)(=O)=O)[C@H](C)[NH3+] ZINC000111004613 194381304 /nfs/dbraw/zinc/38/13/04/194381304.db2.gz IPXPERGXQDOOCZ-GXFFZTMASA-N 1 0 303.449 1.861 10 0 DDAERO CCOC(=O)[C@@](C)(CCN(C)CCC[NH+](C)C)NC(C)C ZINC000111145994 194395738 /nfs/dbraw/zinc/39/57/38/194395738.db2.gz WMWIMDDWLJWGLS-MRXNPFEDSA-N 1 0 301.475 1.580 10 0 DDAERO CCN[C@@](C)(CCC[N@H+](C)C[C@@H]1CCCOC1)C(=O)OC ZINC000111169465 194397882 /nfs/dbraw/zinc/39/78/82/194397882.db2.gz OBUUWUUBZJTVHP-HOCLYGCPSA-N 1 0 300.443 1.666 10 0 DDAERO CC[NH2+][C@@](C)(CCCC[N@H+](C)C[C@@H]1CCCOC1)C(=O)[O-] ZINC000111169653 194397932 /nfs/dbraw/zinc/39/79/32/194397932.db2.gz PMLHRRRLNSYDFX-HOCLYGCPSA-N 1 0 300.443 1.968 10 0 DDAERO C[N@@H+](Cc1nc(=NN)c2ccsc2[nH]1)C[C@@H]1CCCOC1 ZINC000111171000 194398464 /nfs/dbraw/zinc/39/84/64/194398464.db2.gz DQAKJZOWETYWRZ-JTQLQIEISA-N 1 0 307.423 1.835 10 0 DDAERO CN(C)c1ccc(Cl)cc1NC(=O)CN1CCC[NH2+]CC1 ZINC000061271018 184167275 /nfs/dbraw/zinc/16/72/75/184167275.db2.gz FGKQHFDTMKRMOV-UHFFFAOYSA-N 1 0 310.829 1.640 10 0 DDAERO CC[NH2+]C(C)(C)C(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000061292605 184167763 /nfs/dbraw/zinc/16/77/63/184167763.db2.gz QOIPZIWJISBTIB-UHFFFAOYSA-N 1 0 319.814 1.314 10 0 DDAERO C[N@@H+]1CCCC[C@@H]1CNc1nc(Cl)nc(-n2cccn2)n1 ZINC000061540824 184173344 /nfs/dbraw/zinc/17/33/44/184173344.db2.gz LJWKVFYBVAWCLT-SNVBAGLBSA-N 1 0 307.789 1.607 10 0 DDAERO CCN(CC)c1nc(Cl)nc(N(C)[C@@H]2CCC[N@H+](C)C2)n1 ZINC000061542618 184174134 /nfs/dbraw/zinc/17/41/34/184174134.db2.gz SZZOXAZCASAUAM-LLVKDONJSA-N 1 0 312.849 1.902 10 0 DDAERO COC[C@H](C)NC(=O)C[NH2+]Cc1ccccc1C(F)(F)F ZINC000061626588 184179277 /nfs/dbraw/zinc/17/92/77/184179277.db2.gz SSXZYZCKWSHCKT-JTQLQIEISA-N 1 0 304.312 1.946 10 0 DDAERO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cc(N)ccc1F ZINC000061642585 184180242 /nfs/dbraw/zinc/18/02/42/184180242.db2.gz XFWOXOZEOPDKMS-NSHDSACASA-N 1 0 301.387 1.123 10 0 DDAERO Cc1ccc2cccc(NS(=O)(=O)N3CC[NH2+]CC3)c2n1 ZINC000061875489 184191319 /nfs/dbraw/zinc/19/13/19/184191319.db2.gz NUCUQVSNONXVSK-UHFFFAOYSA-N 1 0 306.391 1.105 10 0 DDAERO C[N@H+](CCNS(=O)(=O)c1ccc2c(c1)CCCN2)C1CC1 ZINC000062010802 184201325 /nfs/dbraw/zinc/20/13/25/184201325.db2.gz NXIKQVUUTHUVSK-UHFFFAOYSA-N 1 0 309.435 1.417 10 0 DDAERO CCC[NH2+][C@H]1CCC2(C[C@@H]1N(C)CCCOC)OCCO2 ZINC000062031289 184202123 /nfs/dbraw/zinc/20/21/23/184202123.db2.gz KCCBIYWNOWMRQI-GJZGRUSLSA-N 1 0 300.443 1.619 10 0 DDAERO CC[C@H]([NH3+])[C@@H](c1cccs1)N1CCN(S(C)(=O)=O)CC1 ZINC000062081943 184205097 /nfs/dbraw/zinc/20/50/97/184205097.db2.gz WVMFBNDCVFLBLP-AAEUAGOBSA-N 1 0 317.480 1.104 10 0 DDAERO CCC[C@H]1CC[C@H]([NH2+]C)[C@H](N2CCN(S(C)(=O)=O)CC2)C1 ZINC000062083906 184205142 /nfs/dbraw/zinc/20/51/42/184205142.db2.gz DEJKSQKBEDHAHP-SOUVJXGZSA-N 1 0 317.499 1.120 10 0 DDAERO CCNS(=O)(=O)Nc1ccc(CCC[NH+]2CCCC2)cc1 ZINC000062520175 184241608 /nfs/dbraw/zinc/24/16/08/184241608.db2.gz FIROUQKHADFMMZ-UHFFFAOYSA-N 1 0 311.451 1.981 10 0 DDAERO CNC(=O)COc1ccc(C[C@H](C)[NH3+])cc1Br ZINC000062704674 184248985 /nfs/dbraw/zinc/24/89/85/184248985.db2.gz AVFKGCAYBPTFIM-QMMMGPOBSA-N 1 0 301.184 1.464 10 0 DDAERO COCC[NH2+]Cc1c(N2CCC[C@H](O)C2)nc2sccn12 ZINC000062737126 184251749 /nfs/dbraw/zinc/25/17/49/184251749.db2.gz JNOGLPAIZMPLQA-NSHDSACASA-N 1 0 310.423 1.093 10 0 DDAERO COCC[NH2+]Cc1c(-n2cc(Cl)cn2)nc2ccccn21 ZINC000062738698 184251859 /nfs/dbraw/zinc/25/18/59/184251859.db2.gz MRSZJQCCCRIWDI-UHFFFAOYSA-N 1 0 305.769 1.909 10 0 DDAERO NC(=[NH2+])c1ccc(Sc2n[nH]c(=O)n2C2CC2)c(Cl)c1 ZINC000062794915 184253162 /nfs/dbraw/zinc/25/31/62/184253162.db2.gz BDUAYJJACKMSBT-UHFFFAOYSA-N 1 0 309.782 1.995 10 0 DDAERO CCCN(CCC)S(=O)(=O)Nc1cccc(OCC[NH3+])c1 ZINC000062839272 184255806 /nfs/dbraw/zinc/25/58/06/184255806.db2.gz MSKRYRXHLAQPDS-UHFFFAOYSA-N 1 0 315.439 1.803 10 0 DDAERO CCC1(C(=O)Nc2cccc(S(C)(=O)=O)c2)CC[NH2+]CC1 ZINC000062848852 184256438 /nfs/dbraw/zinc/25/64/38/184256438.db2.gz VYJNPCMIFLFWQU-UHFFFAOYSA-N 1 0 310.419 1.808 10 0 DDAERO CC[C@@]1(C(=O)Nc2cccc(S(N)(=O)=O)c2)CCC[NH2+]C1 ZINC000062852269 184256520 /nfs/dbraw/zinc/25/65/20/184256520.db2.gz AZXSHXTYQGVLSQ-CQSZACIVSA-N 1 0 311.407 1.052 10 0 DDAERO NC(=S)C1(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000062943000 184262024 /nfs/dbraw/zinc/26/20/24/184262024.db2.gz BXDZGUXAQWCHFF-CYBMUJFWSA-N 1 0 309.479 1.920 10 0 DDAERO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc(C)c(N)c2)C1 ZINC000062975663 184263420 /nfs/dbraw/zinc/26/34/20/184263420.db2.gz MCHUEZPKFPRSTM-CYBMUJFWSA-N 1 0 311.451 1.682 10 0 DDAERO COc1cccc(C[C@H](C)[NH3+])c1OCCCS(C)(=O)=O ZINC000063017561 184267077 /nfs/dbraw/zinc/26/70/77/184267077.db2.gz GRTNLTOKESIWKP-NSHDSACASA-N 1 0 301.408 1.398 10 0 DDAERO CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc2c(c1)CCN2 ZINC000063054580 184268786 /nfs/dbraw/zinc/26/87/86/184268786.db2.gz GHHLQQIAADTZIS-UHFFFAOYSA-N 1 0 309.435 1.371 10 0 DDAERO Cc1nnc(SCc2nc3c(cnn3C)c(NN)[nH+]2)s1 ZINC000063084357 184269793 /nfs/dbraw/zinc/26/97/93/184269793.db2.gz FCAGAQXECDJSRW-UHFFFAOYSA-N 1 0 308.396 1.101 10 0 DDAERO C[C@@H]([NH3+])C(=O)NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000157637170 197203719 /nfs/dbraw/zinc/20/37/19/197203719.db2.gz KHTVZZPNHUOXPU-MWLCHTKSSA-N 1 0 320.311 1.200 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000120473082 195173706 /nfs/dbraw/zinc/17/37/06/195173706.db2.gz QSYAUTBGNGZNSX-CMPLNLGQSA-N 1 0 320.368 1.625 10 0 DDAERO C[C@@H]1C[N@H+](C)C[C@]12COCCN(C(=O)Cc1ccc(F)cc1)C2 ZINC000248087885 257109622 /nfs/dbraw/zinc/10/96/22/257109622.db2.gz TUGBVLPDIKGAKO-KDOFPFPSSA-N 1 0 320.408 1.795 10 0 DDAERO Cn1cncc1C[N@@H+]1CC[C@@]2(CCC[C@@H]2C(=O)NC2CC2)C1 ZINC000248019386 257110316 /nfs/dbraw/zinc/11/03/16/257110316.db2.gz HFJSZEDIRLOTDR-WBVHZDCISA-N 1 0 302.422 1.691 10 0 DDAERO CN1[C@H]2C[N@H+](Cc3ccco3)C[C@H]2C[C@H]1C(=O)NCC1CC1 ZINC000248033798 257110476 /nfs/dbraw/zinc/11/04/76/257110476.db2.gz MAEMKQDLWDBZFY-KBMXLJTQSA-N 1 0 303.406 1.310 10 0 DDAERO CN(C)C(=O)COCC[C@@H]1CO[C@@H]2C[N@@H+](C3CCCC3)C[C@H]12 ZINC000247946946 257114131 /nfs/dbraw/zinc/11/41/31/257114131.db2.gz BCLHKAHFBVMTMI-FVQBIDKESA-N 1 0 310.438 1.371 10 0 DDAERO COC[C@@H]1CNC(=O)[C@H]2CC[N@H+](Cc3ccsc3)CC[C@@H]12 ZINC000247889761 257115396 /nfs/dbraw/zinc/11/53/96/257115396.db2.gz STRASLNYRFITSB-KKUMJFAQSA-N 1 0 308.447 1.969 10 0 DDAERO O=C([C@@H]1C[C@H]2CC[N@H+](CC3CCCC3)C[C@H]2O1)N1CCOCC1 ZINC000247769979 257117274 /nfs/dbraw/zinc/11/72/74/257117274.db2.gz NSQIHPFLRBMLPY-IXDOHACOSA-N 1 0 322.449 1.515 10 0 DDAERO CS(=O)(=O)NC[C@@H]1OC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]12 ZINC000247558836 257119067 /nfs/dbraw/zinc/11/90/67/257119067.db2.gz YCCGPKDBFWGAGQ-JYJNAYRXSA-N 1 0 324.446 1.073 10 0 DDAERO NC(=S)c1nccnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000062035073 134804702 /nfs/dbraw/zinc/80/47/02/134804702.db2.gz VRWPAUXSLQVSCN-UHFFFAOYSA-N 1 0 305.451 1.423 10 0 DDAERO C[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)[C@H](C[NH3+])C1 ZINC000261600471 296561503 /nfs/dbraw/zinc/56/15/03/296561503.db2.gz XDCHTAMKXCAJLK-BDAKNGLRSA-N 1 0 322.352 1.852 10 0 DDAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)COC)[C@H](C)C1 ZINC000246691672 286061364 /nfs/dbraw/zinc/06/13/64/286061364.db2.gz DCZAVWSVCQVFSN-KFWWJZLASA-N 1 0 300.443 1.522 10 0 DDAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)COC)[C@@H](C)C1 ZINC000246691693 286061069 /nfs/dbraw/zinc/06/10/69/286061069.db2.gz DCZAVWSVCQVFSN-KKUMJFAQSA-N 1 0 300.443 1.522 10 0 DDAERO CCN(Cc1ccc2c(c1)OCO2)C(=O)C1(C[NH3+])CCOCC1 ZINC000261646772 407565921 /nfs/dbraw/zinc/56/59/21/407565921.db2.gz FJTFLCDSRRSHCU-UHFFFAOYSA-N 1 0 320.389 1.519 10 0 DDAERO CC(=O)NCc1ccc(NC(=O)[C@H]([NH3+])C2CCOCC2)cc1 ZINC000261640872 407566190 /nfs/dbraw/zinc/56/61/90/407566190.db2.gz DMWVLPQBWUDPTE-OAHLLOKOSA-N 1 0 305.378 1.015 10 0 DDAERO [NH3+]C1(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)CCOCC1 ZINC000261657191 407569816 /nfs/dbraw/zinc/56/98/16/407569816.db2.gz AWUPQFRDVAVZPA-AWEZNQCLSA-N 1 0 303.406 1.137 10 0 DDAERO C[NH+](C)Cc1ccc(N2CCN(C(=O)c3ccc[nH]3)CC2)nc1 ZINC000114413879 407570589 /nfs/dbraw/zinc/57/05/89/407570589.db2.gz VGCLPHBZJSZLEP-UHFFFAOYSA-N 1 0 313.405 1.434 10 0 DDAERO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2nnc(C3CC3)n2C)CC1 ZINC000069818053 406776550 /nfs/dbraw/zinc/77/65/50/406776550.db2.gz YGGQHYVYUCWOPV-CYBMUJFWSA-N 1 0 321.469 1.217 10 0 DDAERO CC(C)[C@H](C)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000070690706 406821158 /nfs/dbraw/zinc/82/11/58/406821158.db2.gz ICUPXUOARITZSN-ZDUSSCGKSA-N 1 0 321.421 1.726 10 0 DDAERO CC(C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000012670979 406849652 /nfs/dbraw/zinc/84/96/52/406849652.db2.gz ULTISLNOASDNIN-WDEREUQCSA-N 1 0 313.423 1.295 10 0 DDAERO Cc1ccc(N2C[C@@H](C(=O)N3CC[C@@H]([NH+](C)C)C3)CC2=O)cc1 ZINC000035959580 406975864 /nfs/dbraw/zinc/97/58/64/406975864.db2.gz QWDSLNGWMGBPNY-GOEBONIOSA-N 1 0 315.417 1.510 10 0 DDAERO C[NH+](C)C[C@H](NC(=O)NCCn1ccnc1)c1ccccc1 ZINC000043311581 407017763 /nfs/dbraw/zinc/01/77/63/407017763.db2.gz SSICIOUTHUTGAA-HNNXBMFYSA-N 1 0 301.394 1.485 10 0 DDAERO CC(C)C(=O)N1CCC([NH2+]Cc2cc(C(N)=O)cs2)CC1 ZINC000093687065 407201005 /nfs/dbraw/zinc/20/10/05/407201005.db2.gz QZBUYQCBZJEWMR-UHFFFAOYSA-N 1 0 309.435 1.584 10 0 DDAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000123394369 407328091 /nfs/dbraw/zinc/32/80/91/407328091.db2.gz OTETZJWKHLCXHO-UONOGXRCSA-N 1 0 306.406 1.829 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2nccn2C(F)F)C1 ZINC000123510606 407330939 /nfs/dbraw/zinc/33/09/39/407330939.db2.gz DABPJINCTQDEQN-MNOVXSKESA-N 1 0 315.368 1.806 10 0 DDAERO CN(CC(=O)OC(C)(C)C)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106914196 407366204 /nfs/dbraw/zinc/36/62/04/407366204.db2.gz XCUGJVIJMZRXDB-HNNXBMFYSA-N 1 0 320.433 1.959 10 0 DDAERO Cc1nc2sccn2c1CN1CC[N@@H+](C(C)C)[C@@H](CCO)C1 ZINC000106972341 407368460 /nfs/dbraw/zinc/36/84/60/407368460.db2.gz FXPVIRYSKXAQSB-AWEZNQCLSA-N 1 0 322.478 1.981 10 0 DDAERO CC[C@@H]1CN(Cc2ccc(C(=O)NC)cc2)CC[N@@H+]1CCOC ZINC000109005474 407394111 /nfs/dbraw/zinc/39/41/11/407394111.db2.gz CYBWOSSQHOEYAN-QGZVFWFLSA-N 1 0 319.449 1.589 10 0 DDAERO CC(C)c1nc2n(n1)C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)CC2 ZINC000126975179 407425435 /nfs/dbraw/zinc/42/54/35/407425435.db2.gz DPKCZEZUEIMIID-AWEZNQCLSA-N 1 0 319.453 1.564 10 0 DDAERO CCC[NH+](CCC)CCCC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112646710 407434139 /nfs/dbraw/zinc/43/41/39/407434139.db2.gz ZLYIZFAOQZRUMR-AWEZNQCLSA-N 1 0 307.442 1.611 10 0 DDAERO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CNC(=O)C1 ZINC000171013908 407573875 /nfs/dbraw/zinc/57/38/75/407573875.db2.gz SKICDQPDHAAIGP-OAHLLOKOSA-N 1 0 303.406 1.233 10 0 DDAERO CN(C)c1cn[nH+]c(N2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000224306923 407576161 /nfs/dbraw/zinc/57/61/61/407576161.db2.gz PIBXPRSFZVPTJH-UHFFFAOYSA-N 1 0 317.437 1.772 10 0 DDAERO CCNC(=O)c1ccc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170828862 407520623 /nfs/dbraw/zinc/52/06/23/407520623.db2.gz ACVOSBBJVWWUNV-HNNXBMFYSA-N 1 0 318.421 1.282 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)NCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000170833384 407524140 /nfs/dbraw/zinc/52/41/40/407524140.db2.gz JOGHRUSHOHAVKY-CYBMUJFWSA-N 1 0 324.812 1.624 10 0 DDAERO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000170873597 407542168 /nfs/dbraw/zinc/54/21/68/407542168.db2.gz NDVADQYSSATPBP-LLVKDONJSA-N 1 0 302.827 1.973 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)c2cccc(N)c2)C[C@@H]1CC ZINC000178777531 407599149 /nfs/dbraw/zinc/59/91/49/407599149.db2.gz RZIXRBLQMOLGGE-INIZCTEOSA-N 1 0 305.422 1.842 10 0 DDAERO CCOc1ccccc1CCNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261751620 407601554 /nfs/dbraw/zinc/60/15/54/407601554.db2.gz LEGRLMCMFLZGIL-INIZCTEOSA-N 1 0 306.406 1.498 10 0 DDAERO CN(CCCOc1ccccc1)C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261798749 407620815 /nfs/dbraw/zinc/62/08/15/407620815.db2.gz NZRGCAFIIXDUHY-MRXNPFEDSA-N 1 0 306.406 1.668 10 0 DDAERO COc1cc(NC(=O)C2([NH3+])CCOCC2)cc(OC)c1OC ZINC000261830989 407632431 /nfs/dbraw/zinc/63/24/31/407632431.db2.gz BIIUBDIMCOGLII-UHFFFAOYSA-N 1 0 310.350 1.159 10 0 DDAERO CCO[C@H]1C[C@@H]([NH2+]CC2CCN(C(C)=O)CC2)C12CCOCC2 ZINC000186324553 407638048 /nfs/dbraw/zinc/63/80/48/407638048.db2.gz LKIVTPQXIRXIDP-SJORKVTESA-N 1 0 324.465 1.809 10 0 DDAERO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCO[C@H](c2nccs2)C1 ZINC000261893864 407660603 /nfs/dbraw/zinc/66/06/03/407660603.db2.gz CPZOVLURHPSUPT-RYUDHWBXSA-N 1 0 307.419 1.433 10 0 DDAERO CN1CCO[C@@H](CNC(=O)c2ccnc(OC3CCC3)c2)C1 ZINC000130002115 407642808 /nfs/dbraw/zinc/64/28/08/407642808.db2.gz RKUIFQSUNDKWCA-AWEZNQCLSA-N 1 0 305.378 1.073 10 0 DDAERO CN(C)C(=O)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)CCCC1 ZINC000261883936 407653418 /nfs/dbraw/zinc/65/34/18/407653418.db2.gz FQKLWUYKPISMGE-ARFHVFGLSA-N 1 0 323.481 1.382 10 0 DDAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000114562876 407592200 /nfs/dbraw/zinc/59/22/00/407592200.db2.gz WZFYOOHYGSGSAZ-FVQBIDKESA-N 1 0 306.406 1.150 10 0 DDAERO CCO[C@H]1C[C@H]([NH2+]Cc2c(C)nn(C)c2OC)C12CCOCC2 ZINC000186506183 407685125 /nfs/dbraw/zinc/68/51/25/407685125.db2.gz LWBVUWHYQIJUST-GJZGRUSLSA-N 1 0 323.437 1.801 10 0 DDAERO CCn1nccc1C[NH2+][C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000179011868 407690418 /nfs/dbraw/zinc/69/04/18/407690418.db2.gz PUCSTJOGBKBUGV-AWEZNQCLSA-N 1 0 316.409 1.230 10 0 DDAERO CN(C(=O)Nc1cc(Cl)cc(Cl)c1)[C@H]1C[NH2+]C[C@@H]1O ZINC000234307826 407707584 /nfs/dbraw/zinc/70/75/84/407707584.db2.gz XDYOLNLWHXYARS-QWRGUYRKSA-N 1 0 304.177 1.790 10 0 DDAERO CCn1cc(CN2CCC[N@H+](Cc3cnc(N)s3)CC2)cn1 ZINC000262030898 407717284 /nfs/dbraw/zinc/71/72/84/407717284.db2.gz OBRDMVAYCZJMCH-UHFFFAOYSA-N 1 0 320.466 1.650 10 0 DDAERO O=C(CCN1CC[N@@H+]2CCC[C@@H]2C1)NC(=O)Nc1ccccc1 ZINC000171626809 407722441 /nfs/dbraw/zinc/72/24/41/407722441.db2.gz KWKINIYPXXIMIR-OAHLLOKOSA-N 1 0 316.405 1.505 10 0 DDAERO CC(C)Oc1cc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000179131156 407731355 /nfs/dbraw/zinc/73/13/55/407731355.db2.gz JVASECMZJKRDJO-HNNXBMFYSA-N 1 0 318.421 1.858 10 0 DDAERO [NH3+]C[C@@H]1CN(Cc2cn3cccnc3n2)C[C@H]1c1ccccc1 ZINC000262071075 407731630 /nfs/dbraw/zinc/73/16/30/407731630.db2.gz CIRDYXGOMKIKMQ-WBVHZDCISA-N 1 0 307.401 1.904 10 0 DDAERO C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116231403 407732047 /nfs/dbraw/zinc/73/20/47/407732047.db2.gz XFQQRIFDOBGWPT-TZMCWYRMSA-N 1 0 323.437 1.881 10 0 DDAERO O=C(c1cc2c([nH]c1=O)CCCC2)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000171792462 407770827 /nfs/dbraw/zinc/77/08/27/407770827.db2.gz ZBMCNKQEUDSYMO-AWEZNQCLSA-N 1 0 315.417 1.564 10 0 DDAERO COC[C@@H]([NH3+])C(=O)NCc1cn(-c2ccccc2)nc1C(C)C ZINC000262241342 407772942 /nfs/dbraw/zinc/77/29/42/407772942.db2.gz HTJVHZCZWDTQKQ-OAHLLOKOSA-N 1 0 316.405 1.586 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1nc(-c2sc(C)nc2C)cs1 ZINC000262275463 407782032 /nfs/dbraw/zinc/78/20/32/407782032.db2.gz LAHPIROPCHLEDY-QMMMGPOBSA-N 1 0 312.420 1.796 10 0 DDAERO COC[C@H]([NH3+])C(=O)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000262319357 407798481 /nfs/dbraw/zinc/79/84/81/407798481.db2.gz QDUCLCWDAAWIQG-NSHDSACASA-N 1 0 303.189 1.852 10 0 DDAERO CCN(CC1CCN(c2ccccn2)CC1)C(=O)[C@@H]([NH3+])COC ZINC000262328196 407800126 /nfs/dbraw/zinc/80/01/26/407800126.db2.gz RIJYEFMKFAKJBG-HNNXBMFYSA-N 1 0 320.437 1.120 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccccc2)CCO1 ZINC000116978129 407803577 /nfs/dbraw/zinc/80/35/77/407803577.db2.gz OJFCZEUMPJZFQE-CQSZACIVSA-N 1 0 314.389 1.479 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)NCCn2cccn2)C[C@@H]1CC ZINC000172138151 407806859 /nfs/dbraw/zinc/80/68/59/407806859.db2.gz GDBKKXIQPGWEKM-HNNXBMFYSA-N 1 0 323.441 1.025 10 0 DDAERO COC[C@H]([NH3+])C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000262354571 407808218 /nfs/dbraw/zinc/80/82/18/407808218.db2.gz UUZXTONGQNONIG-VIFPVBQESA-N 1 0 313.810 1.582 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1cccc(OCc2cscn2)c1 ZINC000262408304 407828064 /nfs/dbraw/zinc/82/80/64/407828064.db2.gz QINGEPCNSBMVRY-CYBMUJFWSA-N 1 0 307.375 1.634 10 0 DDAERO COc1cc(C)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000172556998 407833739 /nfs/dbraw/zinc/83/37/39/407833739.db2.gz NRJBNFWTCYGZIT-GFCCVEGCSA-N 1 0 305.378 1.105 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1nnc(Cc2ccc(C)cc2)s1 ZINC000262544707 407862116 /nfs/dbraw/zinc/86/21/16/407862116.db2.gz NUWBRWZKRGBVJV-NSHDSACASA-N 1 0 306.391 1.350 10 0 DDAERO [NH3+][C@@H]1CC[C@@H]2CN(CC(=O)Nc3ccc4c(c3)OCO4)C[C@H]12 ZINC000262540386 407862485 /nfs/dbraw/zinc/86/24/85/407862485.db2.gz QZBRCGCOEVNVQY-KGYLQXTDSA-N 1 0 303.362 1.023 10 0 DDAERO C[C@@H](NC(=O)Nc1ccccc1)C(=O)NC1CCC([NH3+])CC1 ZINC000262557323 407865848 /nfs/dbraw/zinc/86/58/48/407865848.db2.gz ZYNFHRKYJXJSAD-LKSINWNRSA-N 1 0 304.394 1.583 10 0 DDAERO COC(=O)C1CCC(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000180358603 407881223 /nfs/dbraw/zinc/88/12/23/407881223.db2.gz UUSOEXXBVBFPAO-PPWQZUPISA-N 1 0 310.438 1.811 10 0 DDAERO CCOC(=O)[C@@H](c1ccccc1)N1CC[NH+](C[C@@H](O)CC)CC1 ZINC000173459689 407882176 /nfs/dbraw/zinc/88/21/76/407882176.db2.gz PLZRNHMZRAKWNG-DLBZAZTESA-N 1 0 320.433 1.679 10 0 DDAERO O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)[C@H]1CC[NH2+]C1 ZINC000262620644 407884768 /nfs/dbraw/zinc/88/47/68/407884768.db2.gz IMQHBSUNYQGZOZ-GZMMTYOYSA-N 1 0 303.189 1.753 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)N1CCCCCC1 ZINC000173831579 407900876 /nfs/dbraw/zinc/90/08/76/407900876.db2.gz NKBPDVZHUZLYON-HUUCEWRRSA-N 1 0 315.483 1.666 10 0 DDAERO O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CC(F)(F)CN1 ZINC000262731452 407908627 /nfs/dbraw/zinc/90/86/27/407908627.db2.gz BQXJKUAZLSMIPL-CQSZACIVSA-N 1 0 315.408 1.754 10 0 DDAERO CCO[C@H]1C[C@@H]([N@H+](C)CCCC(=O)NC(N)=O)C12CCCC2 ZINC000172670546 407846633 /nfs/dbraw/zinc/84/66/33/407846633.db2.gz CXGVHBTYJDCVMB-OLZOCXBDSA-N 1 0 311.426 1.631 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000118857461 407953832 /nfs/dbraw/zinc/95/38/32/407953832.db2.gz ZPIFIHIPYVXFEC-XHSDSOJGSA-N 1 0 311.470 1.164 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(CC(=O)NCCC2=CCCCC2)CC1 ZINC000118857915 407959614 /nfs/dbraw/zinc/95/96/14/407959614.db2.gz FYTJGTIMMOCSCQ-KRWDZBQOSA-N 1 0 323.481 1.382 10 0 DDAERO COCc1csc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)n1 ZINC000181223355 407967651 /nfs/dbraw/zinc/96/76/51/407967651.db2.gz WIMJFKXGHYNCSI-LLVKDONJSA-N 1 0 314.411 1.084 10 0 DDAERO COCc1csc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)n1 ZINC000181223371 407968797 /nfs/dbraw/zinc/96/87/97/407968797.db2.gz WIMJFKXGHYNCSI-NSHDSACASA-N 1 0 314.411 1.084 10 0 DDAERO CCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000154086469 407968834 /nfs/dbraw/zinc/96/88/34/407968834.db2.gz QHNZCIWANBNAHO-CQSZACIVSA-N 1 0 310.442 1.300 10 0 DDAERO C[C@H](O)CN1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000245414661 407970785 /nfs/dbraw/zinc/97/07/85/407970785.db2.gz CMZLXKOSBCWFFR-GJZGRUSLSA-N 1 0 319.449 1.275 10 0 DDAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@]1(CCO)CCOC1 ZINC000119275850 408029004 /nfs/dbraw/zinc/02/90/04/408029004.db2.gz FSNRAHYVHIJXHQ-AEFFLSMTSA-N 1 0 320.433 1.065 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H](O)COC[C@H]1CCCO1 ZINC000245618076 408029171 /nfs/dbraw/zinc/02/91/71/408029171.db2.gz NCQIBGZZLAJQCZ-QBPKDAKJSA-N 1 0 312.454 1.102 10 0 DDAERO C[C@H](Oc1ccc(F)cc1)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263130888 408030990 /nfs/dbraw/zinc/03/09/90/408030990.db2.gz BPXPUGBZNDBDJD-GWCFXTLKSA-N 1 0 306.341 1.925 10 0 DDAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1csc(COc2ccccc2)n1 ZINC000263158318 408042543 /nfs/dbraw/zinc/04/25/43/408042543.db2.gz DPXQTJOSYYCVBV-WFASDCNBSA-N 1 0 319.430 1.392 10 0 DDAERO Cc1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cn1 ZINC000245694832 408045155 /nfs/dbraw/zinc/04/51/55/408045155.db2.gz RBNHZWXRDDGRRQ-RISCZKNCSA-N 1 0 304.394 1.173 10 0 DDAERO O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CC(F)(F)CN1 ZINC000262964295 407986640 /nfs/dbraw/zinc/98/66/40/407986640.db2.gz LAJYZMLODOGDAE-CQSZACIVSA-N 1 0 324.375 1.159 10 0 DDAERO C[NH+](C)C[C@H]1CN(Cc2ncn(-c3ccccc3)n2)CCO1 ZINC000181564954 408014282 /nfs/dbraw/zinc/01/42/82/408014282.db2.gz KGJYXRNZMDQBKU-HNNXBMFYSA-N 1 0 301.394 1.030 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000245583497 408021859 /nfs/dbraw/zinc/02/18/59/408021859.db2.gz JKCHQKZCDNWZKD-DOMZBBRYSA-N 1 0 311.389 1.780 10 0 DDAERO CCCn1nc(C)c(CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1C ZINC000245750078 408060603 /nfs/dbraw/zinc/06/06/03/408060603.db2.gz NRKNKHNCNGGQRW-KGLIPLIRSA-N 1 0 308.470 1.797 10 0 DDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC000245758314 408061909 /nfs/dbraw/zinc/06/19/09/408061909.db2.gz ZUNWUWIMIDUCLR-SWLSCSKDSA-N 1 0 313.405 1.930 10 0 DDAERO Cc1cc(NC(=O)N2CCC[C@@H]2Cn2ccnc2C)n(C)n1 ZINC000175143990 408062017 /nfs/dbraw/zinc/06/20/17/408062017.db2.gz BITJWQVGCPFQNI-CYBMUJFWSA-N 1 0 302.382 1.930 10 0 DDAERO COCCC1(CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CCC1 ZINC000119430762 408066650 /nfs/dbraw/zinc/06/66/50/408066650.db2.gz KYYNLWWHTFUVNR-AWEZNQCLSA-N 1 0 313.442 1.165 10 0 DDAERO CCc1nc(C2(NC[C@H](C)CS(C)(=O)=O)CCCC2)no1 ZINC000119461288 408073955 /nfs/dbraw/zinc/07/39/55/408073955.db2.gz ZEFCDAJLJRWBBJ-NSHDSACASA-N 1 0 315.439 1.672 10 0 DDAERO C[NH2+]CCN(C)C(=O)[C@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000263266705 408081988 /nfs/dbraw/zinc/08/19/88/408081988.db2.gz VJJZZOBRXMYKAR-OAHLLOKOSA-N 1 0 321.421 1.127 10 0 DDAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2cc(Br)c[nH]c2=O)C1 ZINC000263267097 408082023 /nfs/dbraw/zinc/08/20/23/408082023.db2.gz NZGQDXUJJINKCO-SVRRBLITSA-N 1 0 300.156 1.616 10 0 DDAERO CCCOc1ccc(CNC[C@H]2C[NH2+]C[C@H]2O)cc1OCC ZINC000263275158 408084751 /nfs/dbraw/zinc/08/47/51/408084751.db2.gz SSLLESTXNNEWQM-LSDHHAIUSA-N 1 0 308.422 1.544 10 0 DDAERO O=C(NCCC[N@@H+]1CCC[C@@H](Cn2cncn2)C1)C(F)(F)F ZINC000154832486 408092711 /nfs/dbraw/zinc/09/27/11/408092711.db2.gz YNSKJBMKYRUZPP-LLVKDONJSA-N 1 0 319.331 1.059 10 0 DDAERO Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000245921866 408099580 /nfs/dbraw/zinc/09/95/80/408099580.db2.gz WZZCYBBWDVTQLS-AGIUHOORSA-N 1 0 322.453 1.434 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(Cc2cc(C(=O)OC)ccc2F)CC1 ZINC000181955512 408055036 /nfs/dbraw/zinc/05/50/36/408055036.db2.gz FVYPIYMMJBIIJA-OAHLLOKOSA-N 1 0 324.396 1.501 10 0 DDAERO CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000175420268 408128184 /nfs/dbraw/zinc/12/81/84/408128184.db2.gz OMUMZLZEPNIHKW-GFCCVEGCSA-N 1 0 313.442 1.890 10 0 DDAERO CC(C)C1CCC([NH+]2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)CC1 ZINC000175504993 408149372 /nfs/dbraw/zinc/14/93/72/408149372.db2.gz ZPXABZDZQPYCHL-HWOWSKLDSA-N 1 0 321.465 1.482 10 0 DDAERO Cc1ccc(CNC(=O)CN2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000246189160 408168876 /nfs/dbraw/zinc/16/88/76/408168876.db2.gz LUWWSSDAEZSSKM-KRWDZBQOSA-N 1 0 301.434 1.781 10 0 DDAERO C[C@@H](C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000246238547 408188292 /nfs/dbraw/zinc/18/82/92/408188292.db2.gz INQVKKZZIGABFN-MPTYRVRUSA-N 1 0 319.449 1.236 10 0 DDAERO CC(C)Cn1ncnc1CN(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000182752583 408238593 /nfs/dbraw/zinc/23/85/93/408238593.db2.gz JULLJDYFRIJZEA-HNNXBMFYSA-N 1 0 323.485 1.459 10 0 DDAERO CCC[C@@H]1CN(Cc2nnnn2C(C)C)CC[N@@H+]1CCOC ZINC000121651793 408238905 /nfs/dbraw/zinc/23/89/05/408238905.db2.gz GFQBWPZZFNRJRW-CQSZACIVSA-N 1 0 310.446 1.187 10 0 DDAERO CNC(=O)[C@H]1CCCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000246476849 408266197 /nfs/dbraw/zinc/26/61/97/408266197.db2.gz RDGFWJIBVOWSIP-HZPDHXFCSA-N 1 0 306.406 1.165 10 0 DDAERO CC(C)[N@H+]1C[C@H](NC(=O)C(=O)Nc2cccc(F)c2)[C@@H](C)C1 ZINC000150802357 408202705 /nfs/dbraw/zinc/20/27/05/408202705.db2.gz OPSYRFQDHHFRRY-FZMZJTMJSA-N 1 0 307.369 1.609 10 0 DDAERO C[C@@H]1C[N@H+](CC(=O)N2CCCC[C@H]2C)C[C@@H]1N1CCOCC1 ZINC000246292179 408208692 /nfs/dbraw/zinc/20/86/92/408208692.db2.gz BDHJFNNKSQXVLB-OAGGEKHMSA-N 1 0 309.454 1.040 10 0 DDAERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccc(C(N)=O)cc2)[C@@H](C)C1 ZINC000150852339 408213141 /nfs/dbraw/zinc/21/31/41/408213141.db2.gz HQFBKJWCVHSNNR-FZMZJTMJSA-N 1 0 304.394 1.636 10 0 DDAERO Cc1nc2n(n1)CCC[C@H]2NC(=O)N(CC[NH+](C)C)CC(C)C ZINC000175889610 408232404 /nfs/dbraw/zinc/23/24/04/408232404.db2.gz FNOVARMNBISWMT-CQSZACIVSA-N 1 0 322.457 1.651 10 0 DDAERO CCOC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCCO2)cc1 ZINC000183093664 408325404 /nfs/dbraw/zinc/32/54/04/408325404.db2.gz AHWFPMDFILLUPH-WFASDCNBSA-N 1 0 320.389 1.959 10 0 DDAERO C[NH+](C)C[C@@H]1CN([C@H]2CCN(c3ccccc3F)C2=O)CCO1 ZINC000246512875 408279664 /nfs/dbraw/zinc/27/96/64/408279664.db2.gz CXAUQRKBALKDTE-CJNGLKHVSA-N 1 0 321.396 1.193 10 0 DDAERO CNC(=O)c1ccc(C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000246519122 408281025 /nfs/dbraw/zinc/28/10/25/408281025.db2.gz RCCGNLPKSQTVMA-WMLDXEAASA-N 1 0 317.433 1.199 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)c2occc2Br)CCO1 ZINC000176093573 408284693 /nfs/dbraw/zinc/28/46/93/408284693.db2.gz HIMVGQYSGDQDBB-VIFPVBQESA-N 1 0 317.183 1.445 10 0 DDAERO CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246550674 408290144 /nfs/dbraw/zinc/29/01/44/408290144.db2.gz UAHADLVYCQVFEZ-CVEARBPZSA-N 1 0 311.470 1.288 10 0 DDAERO C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)OCO2 ZINC000151338989 408296883 /nfs/dbraw/zinc/29/68/83/408296883.db2.gz ALWZXDQJYBFFLJ-DZGCQCFKSA-N 1 0 306.406 1.913 10 0 DDAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000131542872 162018123 /nfs/dbraw/zinc/01/81/23/162018123.db2.gz FNOPTIGGHUZZKX-SECBINFHSA-N 1 0 306.790 1.804 10 0 DDAERO C[C@H](C(=O)NCc1ccccc1F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246787340 408337936 /nfs/dbraw/zinc/33/79/36/408337936.db2.gz RDFPUOVIHUMWEF-HIFRSBDPSA-N 1 0 305.397 1.610 10 0 DDAERO CN1CCO[C@H](C[NH2+][C@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000246812748 408345830 /nfs/dbraw/zinc/34/58/30/408345830.db2.gz OEMDNSJBVFSIMI-CVEARBPZSA-N 1 0 321.396 1.241 10 0 DDAERO CCc1csc([C@H]2CCC[N@H+](CCCS(N)(=O)=O)C2)n1 ZINC000170914447 162198716 /nfs/dbraw/zinc/19/87/16/162198716.db2.gz XDRWJXDJDFWPNV-NSHDSACASA-N 1 0 317.480 1.564 10 0 DDAERO Cc1ccccc1CNC(=O)[C@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171640504 162231035 /nfs/dbraw/zinc/23/10/35/162231035.db2.gz SMCGQDLNUABWCP-DOTOQJQBSA-N 1 0 301.434 1.780 10 0 DDAERO CCCc1cc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](CC)C2)[nH]n1 ZINC000246934994 408370854 /nfs/dbraw/zinc/37/08/54/408370854.db2.gz RLQQSSXBPIOSSH-GXTWGEPZSA-N 1 0 308.426 1.279 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCNC(=O)C(C)(C)C ZINC000172259333 162266719 /nfs/dbraw/zinc/26/67/19/162266719.db2.gz WUVDKPFRVLVSQC-QWHCGFSZSA-N 1 0 310.442 1.027 10 0 DDAERO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@@H]2C[C@H]2C)CC1 ZINC000158819222 408362910 /nfs/dbraw/zinc/36/29/10/408362910.db2.gz SCMMGOQDURUGKG-NOZJJQNGSA-N 1 0 312.439 1.178 10 0 DDAERO C[NH+](C)Cc1ccc(C(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000172755918 162300265 /nfs/dbraw/zinc/30/02/65/162300265.db2.gz JOHQLTBAKVXWRJ-KRWDZBQOSA-N 1 0 317.433 1.295 10 0 DDAERO Cc1cccn2c(=O)cc(CN3CC[N@@H+]4CCCC[C@@H]4C3)nc12 ZINC000172803716 162306332 /nfs/dbraw/zinc/30/63/32/162306332.db2.gz RCGZKQCMKKLKJP-MRXNPFEDSA-N 1 0 312.417 1.673 10 0 DDAERO Cc1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000246925887 408366541 /nfs/dbraw/zinc/36/65/41/408366541.db2.gz ICWDEGFZFLJMEL-NVXWUHKLSA-N 1 0 315.417 1.958 10 0 DDAERO CCC[C@H](C)NC(=O)[C@H](C)N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000247007247 408385289 /nfs/dbraw/zinc/38/52/89/408385289.db2.gz BVWYLRPDZPYRGH-FZKCQIBNSA-N 1 0 313.486 1.457 10 0 DDAERO CC(C)CS(=O)(=O)CCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247020043 408389266 /nfs/dbraw/zinc/38/92/66/408389266.db2.gz GAUWVMUIBIRISN-KGLIPLIRSA-N 1 0 316.467 1.142 10 0 DDAERO CCC[NH+]1CCC(CNC(=O)N[C@H]2CCCn3ncnc32)CC1 ZINC000176473441 408374752 /nfs/dbraw/zinc/37/47/52/408374752.db2.gz SQFHWCOXLWMOFK-AWEZNQCLSA-N 1 0 320.441 1.534 10 0 DDAERO COCCN1CCN(C(=O)[C@H](C)c2c(C)noc2C)C[C@@H]1C ZINC000247046270 408397905 /nfs/dbraw/zinc/39/79/05/408397905.db2.gz JFGLJANXKSYENE-NWDGAFQWSA-N 1 0 309.410 1.574 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CN(C)C(=O)c1cccs1 ZINC000247069511 408399285 /nfs/dbraw/zinc/39/92/85/408399285.db2.gz HMGGNQSGUVZXLW-STQMWFEESA-N 1 0 321.446 1.515 10 0 DDAERO CC(C)(C)[S@@](=O)CCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247104210 408409317 /nfs/dbraw/zinc/40/93/17/408409317.db2.gz VGMMAYKSETVDQL-YUNKPMOVSA-N 1 0 301.456 1.023 10 0 DDAERO COC(=O)c1cccc(CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1 ZINC000247105843 408409386 /nfs/dbraw/zinc/40/93/86/408409386.db2.gz IQKHJJLLHHKFLK-KBPBESRZSA-N 1 0 306.406 1.360 10 0 DDAERO CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000247117342 408413539 /nfs/dbraw/zinc/41/35/39/408413539.db2.gz WDDBRASXOUAFGK-KBPBESRZSA-N 1 0 323.437 1.550 10 0 DDAERO CC[C@@H]1CN([C@@H](C)C(=O)N2CCCCC2)CC[N@@H+]1C[C@H](C)O ZINC000247154598 408418814 /nfs/dbraw/zinc/41/88/14/408418814.db2.gz LVGGLCPOQSUECK-HRCADAONSA-N 1 0 311.470 1.164 10 0 DDAERO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000247152693 408419056 /nfs/dbraw/zinc/41/90/56/408419056.db2.gz XEWDXELWSVDVBK-QWHCGFSZSA-N 1 0 322.457 1.705 10 0 DDAERO CC[C@@H]1CN(C(=O)NCc2cccnc2)CC[N@@H+]1C[C@H](C)O ZINC000247178017 408421126 /nfs/dbraw/zinc/42/11/26/408421126.db2.gz NHXZRCIXYUJRCR-DZGCQCFKSA-N 1 0 306.410 1.068 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCNC(=O)C(C)(C)C ZINC000247234172 408432205 /nfs/dbraw/zinc/43/22/05/408432205.db2.gz MUAYVVBRMFUHOQ-KGLIPLIRSA-N 1 0 309.454 1.624 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)N[C@H](C)CCOC)C[C@@H]1CC ZINC000247230864 408432843 /nfs/dbraw/zinc/43/28/43/408432843.db2.gz WGWNTNCIUYHMAK-CABCVRRESA-N 1 0 315.458 1.554 10 0 DDAERO CCCC(=O)N1CCC[C@@H](C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000176969305 408485917 /nfs/dbraw/zinc/48/59/17/408485917.db2.gz WCTUPKMKZVUWPC-CVEARBPZSA-N 1 0 323.481 1.968 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(OCC(N)=O)c1 ZINC000176998268 408492677 /nfs/dbraw/zinc/49/26/77/408492677.db2.gz FFGFQKIKNRJCNC-AWEZNQCLSA-N 1 0 319.405 1.107 10 0 DDAERO CC[C@@H]1CN(C(=O)Nc2ncccc2C)CC[N@@H+]1C[C@H](C)O ZINC000247567642 408493217 /nfs/dbraw/zinc/49/32/17/408493217.db2.gz RKJFXWSYKQEODI-UONOGXRCSA-N 1 0 306.410 1.699 10 0 DDAERO Cn1cc([C@H]2CC[N@H+](C[C@@H](O)COc3ccccc3F)C2)cn1 ZINC000247564948 408494365 /nfs/dbraw/zinc/49/43/65/408494365.db2.gz VKUZAHOYLMISBP-DZGCQCFKSA-N 1 0 319.380 1.788 10 0 DDAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc(F)cc2)CC1 ZINC000176866287 408462777 /nfs/dbraw/zinc/46/27/77/408462777.db2.gz RFWZTBMTYZPHQT-ZDUSSCGKSA-N 1 0 308.397 1.991 10 0 DDAERO Cn1ccc(N2CCC[C@H]([NH2+][C@@H](CO)c3ccccc3)C2=O)n1 ZINC000183668364 408466702 /nfs/dbraw/zinc/46/67/02/408466702.db2.gz AAGFAAICWXWRGA-GJZGRUSLSA-N 1 0 314.389 1.239 10 0 DDAERO CN(Cc1ccc(F)cc1)C(=O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248345814 408550292 /nfs/dbraw/zinc/55/02/92/408550292.db2.gz NFOOQYBADVRCLP-KRWDZBQOSA-N 1 0 319.424 1.954 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CCCCOC ZINC000248752908 408630555 /nfs/dbraw/zinc/63/05/55/408630555.db2.gz UJBNVCCNDCBWID-KBPBESRZSA-N 1 0 304.456 1.301 10 0 DDAERO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCNC(=O)[C@H]1C ZINC000248799161 408635720 /nfs/dbraw/zinc/63/57/20/408635720.db2.gz UTQASTLPCZCOIH-LSDHHAIUSA-N 1 0 324.469 1.561 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)CCc2cccc3c2OCO3)CCO1 ZINC000184556952 408642243 /nfs/dbraw/zinc/64/22/43/408642243.db2.gz AYIHGINNEBAKSS-AWEZNQCLSA-N 1 0 320.389 1.137 10 0 DDAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000193380185 408716971 /nfs/dbraw/zinc/71/69/71/408716971.db2.gz BYKWCGRKIFYMPE-GJZGRUSLSA-N 1 0 322.453 1.581 10 0 DDAERO O=C(CC[N@H+]1C[C@H](O)C[C@@H]1CO)Nc1cccc2ccccc21 ZINC000184738485 408679554 /nfs/dbraw/zinc/67/95/54/408679554.db2.gz TWWBSEXWHIOMMN-HUUCEWRRSA-N 1 0 314.385 1.596 10 0 DDAERO CC(C)N1CCC[C@H]([NH+]2CCC(c3ccnn3C)CC2)C1=O ZINC000177698088 408687033 /nfs/dbraw/zinc/68/70/33/408687033.db2.gz RKYLEZFSFBQHSD-INIZCTEOSA-N 1 0 304.438 1.999 10 0 DDAERO c1cnnc(N2CCC[N@@H+](CCO[C@@H]3CCCCO3)CC2)c1 ZINC000193050118 408687582 /nfs/dbraw/zinc/68/75/82/408687582.db2.gz GINFDAGTZZBSPL-MRXNPFEDSA-N 1 0 306.410 1.532 10 0 DDAERO Cc1c(Cl)cccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177698767 408688929 /nfs/dbraw/zinc/68/89/29/408688929.db2.gz AQUXARRXBCFZFC-GFCCVEGCSA-N 1 0 321.808 1.894 10 0 DDAERO Cc1ccc(C)c(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000177697162 408689286 /nfs/dbraw/zinc/68/92/86/408689286.db2.gz TXSPVHYXWXAXKO-AWEZNQCLSA-N 1 0 301.390 1.549 10 0 DDAERO CSCCCCCNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000251659578 408784150 /nfs/dbraw/zinc/78/41/50/408784150.db2.gz KMSVPTGMEGWYNK-KBPBESRZSA-N 1 0 317.499 1.616 10 0 DDAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccn(-c4cccc(F)c4)n3)C[C@@H]12 ZINC000185082324 408753105 /nfs/dbraw/zinc/75/31/05/408753105.db2.gz HCPFTTBGIHUKAI-NILFDRSVSA-N 1 0 314.364 1.821 10 0 DDAERO COC[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)C1CCOCC1 ZINC000188203346 163043712 /nfs/dbraw/zinc/04/37/12/163043712.db2.gz IPJWLLKRYSVCLR-HZPDHXFCSA-N 1 0 320.437 1.477 10 0 DDAERO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1csnn1 ZINC000189019851 163082297 /nfs/dbraw/zinc/08/22/97/163082297.db2.gz VWSAERUWDMXGGA-BXKDBHETSA-N 1 0 324.356 1.692 10 0 DDAERO C[NH+](C)Cc1ccc(N2CCN(C(=O)OCC3CC3)CC2)nc1 ZINC000189619972 163108728 /nfs/dbraw/zinc/10/87/28/163108728.db2.gz SCLKLJXCMSAGAP-UHFFFAOYSA-N 1 0 318.421 1.812 10 0 DDAERO Cc1nc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)sc1C ZINC000193410597 163255520 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304.213 1.730 10 0 DDAERO COC[C@H]([NH3+])C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851989 423157177 /nfs/dbraw/zinc/15/71/77/423157177.db2.gz SCQGKQCZQOCEIS-SJORKVTESA-N 1 0 319.449 1.521 10 0 DDAERO CC/C=C/CC[NH+]1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000184515976 263388012 /nfs/dbraw/zinc/38/80/12/263388012.db2.gz BOAXYTOXWXYYPV-SNAWJCMRSA-N 1 0 300.410 1.911 10 0 DDAERO CCN1CCO[C@@H](C[NH2+][C@H]2CCCOCC2)[C@@H]1c1cnn(C)c1 ZINC000658174509 424606814 /nfs/dbraw/zinc/60/68/14/424606814.db2.gz ZXEHJBVCMOSAFV-ULQDDVLXSA-N 1 0 322.453 1.341 10 0 DDAERO CCC[C@H]([NH3+])C(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1 ZINC000662743681 424753216 /nfs/dbraw/zinc/75/32/16/424753216.db2.gz KVUNZTXJNIUHRU-IRXDYDNUSA-N 1 0 318.465 1.046 10 0 DDAERO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@@H]2COC[C@H]2O)CC1 ZINC000323157644 271031105 /nfs/dbraw/zinc/03/11/05/271031105.db2.gz HPNDFLQDQDIQNJ-JHJVBQTASA-N 1 0 300.399 1.125 10 0 DDAERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2COC[C@H]2O)CC1 ZINC000323157645 271031430 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CC1(C)CC(NC(=O)N[C@H]2CCCn3ncnc32)CC(C)(C)[NH2+]1 ZINC000177365749 278190709 /nfs/dbraw/zinc/19/07/09/278190709.db2.gz WACFQRGUQDIDFI-LBPRGKRZSA-N 1 0 320.441 1.721 10 0 DDAERO C[C@@H]1Cc2ccccc2N(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000261850094 279017660 /nfs/dbraw/zinc/01/76/60/279017660.db2.gz BEQUCRMHOKIONM-XYPHTWIQSA-N 1 0 324.428 1.949 10 0 DDAERO FC(F)(F)c1nsc(N2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000261859969 279448369 /nfs/dbraw/zinc/44/83/69/279448369.db2.gz XUFPKDMSOCTKQG-MRVPVSSYSA-N 1 0 307.345 1.041 10 0 DDAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCc1nnc2n1CCCCC2 ZINC000261629472 279653818 /nfs/dbraw/zinc/65/38/18/279653818.db2.gz BROAJPQZJQJPEQ-CHWSQXEVSA-N 1 0 305.426 1.038 10 0 DDAERO C[C@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)[C@H]1C[NH3+] ZINC000262584752 279672387 /nfs/dbraw/zinc/67/23/87/279672387.db2.gz ZPDZCBKEYPJPAA-IUCAKERBSA-N 1 0 314.315 1.707 10 0 DDAERO O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000262398496 279791790 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COCCOc1cccc(CC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000122307042 281154325 /nfs/dbraw/zinc/15/43/25/281154325.db2.gz COYFRCJOBWNLQR-HNNXBMFYSA-N 1 0 306.406 1.417 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(S(C)(=O)=O)cc1 ZINC000094449355 288306264 /nfs/dbraw/zinc/30/62/64/288306264.db2.gz AJVNHDGJHDUOEP-UKRRQHHQSA-N 1 0 308.447 1.759 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(OC)cc1 ZINC000173829371 288313461 /nfs/dbraw/zinc/31/34/61/288313461.db2.gz FKLZJRJXQHWGNN-UONOGXRCSA-N 1 0 324.446 1.943 10 0 DDAERO COCCN1CCN(C(=O)c2scnc2C2CC2)C[C@@H]1C ZINC000128004347 281294441 /nfs/dbraw/zinc/29/44/41/281294441.db2.gz KQLQDRHSWNWJGS-NSHDSACASA-N 1 0 309.435 1.813 10 0 DDAERO Cc1cnn([C@@H]2CCC[N@H+](C[C@@H](O)COC[C@@H]3CCCO3)C2)c1 ZINC000247134770 282036703 /nfs/dbraw/zinc/03/67/03/282036703.db2.gz KQAGDUGFSJZOSD-ZACQAIPSSA-N 1 0 323.437 1.385 10 0 DDAERO CC[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C)O2)CC[N@@H+]1CCOC ZINC000247473400 282055396 /nfs/dbraw/zinc/05/53/96/282055396.db2.gz 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CCn1cc([C@H]2OCC[C@@H]2C[NH2+]CCc2nccnc2C)cn1 ZINC000888078719 709210198 /nfs/dbraw/zinc/21/01/98/709210198.db2.gz PDRJGASZIIQVMS-PBHICJAKSA-N 1 0 315.421 1.911 10 0 DDAERO CC(C)OCCC(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000888095378 709211587 /nfs/dbraw/zinc/21/15/87/709211587.db2.gz XTPNMATWSCOLPQ-SRABZTEZSA-N 1 0 312.454 1.397 10 0 DDAERO C[NH+](C)CCn1nccc1C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000900250464 709505413 /nfs/dbraw/zinc/50/54/13/709505413.db2.gz BUAOKQLEDIMLLW-DZGCQCFKSA-N 1 0 306.410 1.228 10 0 DDAERO CCN1CCN(C2CCN(c3nc(N)cc(C)[nH+]3)CC2)C1=O ZINC000892374526 710425568 /nfs/dbraw/zinc/42/55/68/710425568.db2.gz ADSHHAABMMLWKS-UHFFFAOYSA-N 1 0 304.398 1.094 10 0 DDAERO C/C=C\[C@H](O)C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000907571178 712596834 /nfs/dbraw/zinc/59/68/34/712596834.db2.gz REOILIYMDMOQCW-ARMBGPGMSA-N 1 0 312.410 1.714 10 0 DDAERO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H](OC)C[C@H]2c2nc[nH]n2)C1 ZINC000908093164 712685105 /nfs/dbraw/zinc/68/51/05/712685105.db2.gz PEGPGCKEBVQYQY-MCIONIFRSA-N 1 0 321.425 1.215 10 0 DDAERO CCOc1ccccc1[C@H]([NH3+])CSCCS(C)(=O)=O ZINC000081768647 192323233 /nfs/dbraw/zinc/32/32/33/192323233.db2.gz HGQWJBVWFVZZPR-GFCCVEGCSA-N 1 0 303.449 1.863 10 0 DDAERO CCOC(=O)[C@H](C)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248663033 282097396 /nfs/dbraw/zinc/09/73/96/282097396.db2.gz ZDXUTGKGKITRRR-HOCLYGCPSA-N 1 0 305.422 1.787 10 0 DDAERO C[NH2+][C@@H]1CCC2(C[C@H]1Sc1nnc(C)s1)OCCO2 ZINC000081873910 192332736 /nfs/dbraw/zinc/33/27/36/192332736.db2.gz MMCDJZBMZUWMBJ-NXEZZACHSA-N 1 0 301.437 1.822 10 0 DDAERO COc1ccc([C@@H](C)[NH2+][C@H](C)CS(C)(=O)=O)cc1OC ZINC000081900777 192334955 /nfs/dbraw/zinc/33/49/55/192334955.db2.gz INWWBBDIGZIALZ-GHMZBOCLSA-N 1 0 301.408 1.788 10 0 DDAERO CC(C)(C)[C@H]1CCCN(C(=O)[C@H]([NH3+])CCS(C)(=O)=O)CC1 ZINC000079342081 185165756 /nfs/dbraw/zinc/16/57/56/185165756.db2.gz OITUCYZGCXGZMD-QWHCGFSZSA-N 1 0 318.483 1.423 10 0 DDAERO CCC[C@H](CC[NH3+])CCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000079237158 185162013 /nfs/dbraw/zinc/16/20/13/185162013.db2.gz SSKAPTGUBCHDFY-STQMWFEESA-N 1 0 304.456 1.177 10 0 DDAERO C[NH2+][C@H](CS(=O)(=O)CCOC)c1ccc(OC(C)C)cc1 ZINC000081945133 192345750 /nfs/dbraw/zinc/34/57/50/192345750.db2.gz XFCLEJNUTPYAQZ-OAHLLOKOSA-N 1 0 315.435 1.796 10 0 DDAERO [NH3+][C@@H](Cc1cc(Br)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000083185131 185217047 /nfs/dbraw/zinc/21/70/47/185217047.db2.gz MDKXCQALFOTRFU-XCBNKYQSSA-N 1 0 324.265 1.815 10 0 DDAERO CC(C)([C@H](O)[C@H](C[NH3+])c1cc(F)cc(F)c1)S(C)(=O)=O ZINC000087382540 185223091 /nfs/dbraw/zinc/22/30/91/185223091.db2.gz GSJRIYVMBPFYHI-VXGBXAGGSA-N 1 0 307.362 1.191 10 0 DDAERO CCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(OCCOC)cc1 ZINC000087404372 185223796 /nfs/dbraw/zinc/22/37/96/185223796.db2.gz KPDBVOVVRPOOMN-GFCCVEGCSA-N 1 0 316.423 1.118 10 0 DDAERO CC(C)c1nnsc1-c1nc([C@@H](C)N2CC[NH2+]CC2)no1 ZINC000087443453 185225143 /nfs/dbraw/zinc/22/51/43/185225143.db2.gz LZQOQLRMSYHBHV-SECBINFHSA-N 1 0 308.411 1.678 10 0 DDAERO C[C@@H](NC(=O)CN1CC([NH3+])C1)c1ccc(Br)cc1 ZINC000087590102 185228974 /nfs/dbraw/zinc/22/89/74/185228974.db2.gz XUQJZEHAKBBRBH-SECBINFHSA-N 1 0 312.211 1.269 10 0 DDAERO Cc1nnc(SCc2nc(-c3cccs3)no2)n1CC[NH3+] ZINC000087714961 185230965 /nfs/dbraw/zinc/23/09/65/185230965.db2.gz FWFQBEHYWIJCSW-UHFFFAOYSA-N 1 0 322.419 1.949 10 0 DDAERO Cc1nnc(SCc2nnc(-c3ccco3)o2)n1CC[NH3+] ZINC000087711392 185230992 /nfs/dbraw/zinc/23/09/92/185230992.db2.gz INMOFWXXULSUPF-UHFFFAOYSA-N 1 0 306.351 1.481 10 0 DDAERO CCC[NH2+][C@@H](CCC)[C@H](CC)S(=O)(=O)CCC(=O)OC ZINC000081974965 192347480 /nfs/dbraw/zinc/34/74/80/192347480.db2.gz DHSSWYJZMIETHV-STQMWFEESA-N 1 0 307.456 1.911 10 0 DDAERO NNc1nc(NC[C@@H]2CCCC[C@H]2O)c(Br)c[nH+]1 ZINC000087882664 185234584 /nfs/dbraw/zinc/23/45/84/185234584.db2.gz SOQRHIIGDXUTMV-IONNQARKSA-N 1 0 316.203 1.488 10 0 DDAERO COc1cc(C)c(Br)cc1[C@H]([NH3+])COCC(N)=O ZINC000088078788 185238863 /nfs/dbraw/zinc/23/88/63/185238863.db2.gz LWUDFGVRLYIGDH-SNVBAGLBSA-N 1 0 317.183 1.268 10 0 DDAERO Nc1[nH+]c2ccc(Br)cc2n1[C@H]1CCCNC1=O ZINC000087837410 185233050 /nfs/dbraw/zinc/23/30/50/185233050.db2.gz QLIHMIBGGZAPPF-VIFPVBQESA-N 1 0 309.167 1.832 10 0 DDAERO CN(CC1CCOCC1)c1nc(NN)[nH+]cc1Br ZINC000087877728 185234230 /nfs/dbraw/zinc/23/42/30/185234230.db2.gz WWQPIRDOZQEFPS-UHFFFAOYSA-N 1 0 316.203 1.388 10 0 DDAERO CCC[NH2+][C@@H]1c2ccccc2C[C@@H]1S(=O)(=O)CC(=O)OC ZINC000081975736 192348181 /nfs/dbraw/zinc/34/81/81/192348181.db2.gz XZJSTGCHRVKCJD-DZGCQCFKSA-N 1 0 311.403 1.240 10 0 DDAERO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CNC(=O)C3)cc2)C1 ZINC000249814418 282196399 /nfs/dbraw/zinc/19/63/99/282196399.db2.gz AHTPDOCZHDIIDV-HIFRSBDPSA-N 1 0 315.417 1.993 10 0 DDAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2cccnn2)CC1 ZINC000181233746 539237610 /nfs/dbraw/zinc/23/76/10/539237610.db2.gz UOORMFPQBXZNKD-LBPRGKRZSA-N 1 0 307.398 1.033 10 0 DDAERO CS(=O)(=O)Nc1ccc(NC(=O)C2([NH3+])CC2)cc1Cl ZINC000088130119 185240482 /nfs/dbraw/zinc/24/04/82/185240482.db2.gz REBTYJWPVNLTSG-UHFFFAOYSA-N 1 0 303.771 1.141 10 0 DDAERO C[C@@H]1CC[C@H]([NH3+])[C@H](C(=O)N2CCN(CC(F)(F)F)CC2)C1 ZINC000088149530 185240527 /nfs/dbraw/zinc/24/05/27/185240527.db2.gz NCQLMSYLEFXZAG-UTUOFQBUSA-N 1 0 307.360 1.456 10 0 DDAERO CC(C)C[C@H](C[NH3+])CC(=O)N1CCN(c2nccs2)CC1 ZINC000088275795 185244736 /nfs/dbraw/zinc/24/47/36/185244736.db2.gz RISBFTPGZHKXFB-ZDUSSCGKSA-N 1 0 310.467 1.803 10 0 DDAERO Cc1cnc([C@@H]([NH2+]C[C@@H](O)CN2CCCC2=O)C2CC2)s1 ZINC000185344445 539245934 /nfs/dbraw/zinc/24/59/34/539245934.db2.gz KIXKYIGBUBEBKN-OCCSQVGLSA-N 1 0 309.435 1.476 10 0 DDAERO CC[C@H](C[NH3+])S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000088471837 185251879 /nfs/dbraw/zinc/25/18/79/185251879.db2.gz QWBNTHNMIIWJTG-CQSZACIVSA-N 1 0 315.414 1.015 10 0 DDAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)N1CCC(C(F)(F)F)CC1 ZINC000088433060 185249710 /nfs/dbraw/zinc/24/97/10/185249710.db2.gz NNPMJONUQHVUCG-JTQLQIEISA-N 1 0 314.373 1.590 10 0 DDAERO [NH3+][C@@H](C(=O)Nc1cnc(Br)cn1)c1ccccc1 ZINC000088446419 185251207 /nfs/dbraw/zinc/25/12/07/185251207.db2.gz NSQLUFMGBBVVFC-LLVKDONJSA-N 1 0 307.151 1.878 10 0 DDAERO CC[C@H]1CO[C@H](C)CN1S(=O)(=O)c1ccc(C[NH2+]C)o1 ZINC000088544357 185256817 /nfs/dbraw/zinc/25/68/17/185256817.db2.gz MVOZTINTPKOBPA-MNOVXSKESA-N 1 0 302.396 1.187 10 0 DDAERO COCC[C@H](C)NS(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000088551405 185257341 /nfs/dbraw/zinc/25/73/41/185257341.db2.gz QLWWSRNDXGDYIK-LBPRGKRZSA-N 1 0 318.439 1.729 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCO[C@H]3CCC[C@@H]32)o1 ZINC000088544169 185256636 /nfs/dbraw/zinc/25/66/36/185256636.db2.gz LJXMSGPPFRTAHQ-STQMWFEESA-N 1 0 314.407 1.331 10 0 DDAERO Cc1ccc2c(N)c(C(=O)NC[C@@H]3CC[N@@H+](C)C3)sc2n1 ZINC000088640952 185260780 /nfs/dbraw/zinc/26/07/80/185260780.db2.gz HCIQTHVNBOMOJP-JTQLQIEISA-N 1 0 304.419 1.868 10 0 DDAERO Cc1nnc2sc(C(=O)N[C@H]3CC[N@@H+](C)C3)c(N)c2c1C ZINC000088641676 185261079 /nfs/dbraw/zinc/26/10/79/185261079.db2.gz KNQFMSKSVFHZLB-VIFPVBQESA-N 1 0 305.407 1.324 10 0 DDAERO Cc1nn(C)c2sc(C(=O)N[C@@H]3CCCC[C@@H]3[NH3+])c(N)c12 ZINC000088641333 185261096 /nfs/dbraw/zinc/26/10/96/185261096.db2.gz IGWMNXVHPMXQJI-DTWKUNHWSA-N 1 0 307.423 1.525 10 0 DDAERO Nc1c2cc3c(nc2sc1C(=O)NCCC[NH3+])CCCC3 ZINC000088642911 185261325 /nfs/dbraw/zinc/26/13/25/185261325.db2.gz YKYWKNAEIAFMHF-UHFFFAOYSA-N 1 0 304.419 1.836 10 0 DDAERO Cc1nnc2sc(C(=O)N3CC[C@H](C[NH3+])C3)c(N)c2c1C ZINC000088642734 185261362 /nfs/dbraw/zinc/26/13/62/185261362.db2.gz QAPANLGGPPLQLH-SECBINFHSA-N 1 0 305.407 1.311 10 0 DDAERO C[C@@H](c1cc(Cl)ccc1Cl)N1CC[NH2+]C[C@@H]1C(N)=O ZINC000088659480 185261950 /nfs/dbraw/zinc/26/19/50/185261950.db2.gz DQPUFZDBYWCJHT-QPUJVOFHSA-N 1 0 302.205 1.814 10 0 DDAERO CC[C@@H]1CN(C(=O)N[C@H](C)c2ccccn2)CC[N@@H+]1C[C@@H](C)O ZINC000248465439 539272045 /nfs/dbraw/zinc/27/20/45/539272045.db2.gz ZIKWDUQVJIJSPO-RBSFLKMASA-N 1 0 320.437 1.629 10 0 DDAERO C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)C1 ZINC000248126746 539271614 /nfs/dbraw/zinc/27/16/14/539271614.db2.gz NZQICIUBTGSHGB-INMHGKMJSA-N 1 0 309.454 1.665 10 0 DDAERO C[NH2+][C@@H](CS(=O)(=O)C(C)C)c1ccc2c(c1)OCCCO2 ZINC000081980107 192349506 /nfs/dbraw/zinc/34/95/06/192349506.db2.gz KBYVANHCHZIFQE-ZDUSSCGKSA-N 1 0 313.419 1.932 10 0 DDAERO COCCCS(=O)(=O)C[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000081986224 192349681 /nfs/dbraw/zinc/34/96/81/192349681.db2.gz SSBLSBXEBBEZKA-DQGBIZLVSA-N 1 0 315.479 1.981 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NC(=O)c1sccc1Br ZINC000090311425 185290454 /nfs/dbraw/zinc/29/04/54/185290454.db2.gz VVXKWPTXFXWYNC-HLTSFMKQSA-N 1 0 319.224 1.745 10 0 DDAERO Fc1c(F)c(F)c(N2CC(N3CC[NH2+]CC3)C2)c(F)c1F ZINC000090309745 185290514 /nfs/dbraw/zinc/29/05/14/185290514.db2.gz VNHKSSCTEAQUOT-UHFFFAOYSA-N 1 0 307.266 1.476 10 0 DDAERO CC(C)Cc1ccc(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000090321813 185290933 /nfs/dbraw/zinc/29/09/33/185290933.db2.gz GRXJMPBYOUBWEZ-GJZGRUSLSA-N 1 0 308.447 1.725 10 0 DDAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1CC(=O)Nc1ccc(F)cc1Cl ZINC000090327464 185291175 /nfs/dbraw/zinc/29/11/75/185291175.db2.gz WHAKCIWAWBXXEL-FOGDFJRCSA-N 1 0 311.788 1.957 10 0 DDAERO [NH3+][C@H]1COC[C@@H]1C(=O)Nc1c(F)cc(F)cc1Br ZINC000090379217 185293635 /nfs/dbraw/zinc/29/36/35/185293635.db2.gz HGOBZUGPDCYZMU-RCOVLWMOSA-N 1 0 321.121 1.640 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000090432818 185295819 /nfs/dbraw/zinc/29/58/19/185295819.db2.gz NEUJELYPSKFRNP-CMPLNLGQSA-N 1 0 312.753 1.300 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(Br)cn1 ZINC000090432132 185296028 /nfs/dbraw/zinc/29/60/28/185296028.db2.gz FBWAHMGDCJIJEC-RKDXNWHRSA-N 1 0 300.156 1.017 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cc(Br)ccc1C ZINC000090433743 185296353 /nfs/dbraw/zinc/29/63/53/185296353.db2.gz ANQGYWQOBQPZKH-CMPLNLGQSA-N 1 0 313.195 1.930 10 0 DDAERO CN(CCOc1ccc(Cl)cc1)C(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090590506 185305599 /nfs/dbraw/zinc/30/55/99/185305599.db2.gz KTYWISDPARXTTM-DZGCQCFKSA-N 1 0 312.797 1.541 10 0 DDAERO C[C@]1(C(=O)NCc2ccc(C(F)(F)F)cc2)COC[C@H]1[NH3+] ZINC000090603553 185306057 /nfs/dbraw/zinc/30/60/57/185306057.db2.gz ZNITVIZZQVPSDC-YPMHNXCESA-N 1 0 302.296 1.685 10 0 DDAERO C[C@]1(CN2CCN(c3ccc(Cl)cc3)CC2)COC[C@@H]1[NH3+] ZINC000090606517 185306565 /nfs/dbraw/zinc/30/65/65/185306565.db2.gz FOGXLMMTAAIKPD-HOTGVXAUSA-N 1 0 309.841 1.826 10 0 DDAERO C[C@]1(C(=O)Nc2ccc(F)cc2Br)COC[C@@H]1[NH3+] ZINC000090582222 185304793 /nfs/dbraw/zinc/30/47/93/185304793.db2.gz WRNCVLFTRDODTE-JQWIXIFHSA-N 1 0 317.158 1.891 10 0 DDAERO C[NH+](C)C[C@H]1CSCCCN1S(=O)(=O)c1cccs1 ZINC000090700305 185310703 /nfs/dbraw/zinc/31/07/03/185310703.db2.gz JHCCVGKWDNMEEU-NSHDSACASA-N 1 0 320.505 1.806 10 0 DDAERO Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1[C@@H](C)C[NH2+]C1CC1 ZINC000092320374 185311999 /nfs/dbraw/zinc/31/19/99/185311999.db2.gz ANVSBLAELCUQLX-HZMBPMFUSA-N 1 0 311.451 1.715 10 0 DDAERO O=C([C@H]1CCCN1Cc1cc(Cl)ccn1)N1CC[NH2+]CC1 ZINC000092417121 185317058 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C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C ZINC000092951473 185350374 /nfs/dbraw/zinc/35/03/74/185350374.db2.gz AEQYIZLKVSGPOF-KOLCDFICSA-N 1 0 309.797 1.978 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(C(=O)/C=C\c2cncc(C)c2)CC1 ZINC000255827516 282280029 /nfs/dbraw/zinc/28/00/29/282280029.db2.gz AVULRKDPWRBFHD-YIEVGGLXSA-N 1 0 303.406 1.318 10 0 DDAERO CN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000261918859 282289126 /nfs/dbraw/zinc/28/91/26/282289126.db2.gz ZEDCBYFIPCVFTB-QWRGUYRKSA-N 1 0 319.283 1.382 10 0 DDAERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@H]2CCc3ncnn3C2)C1 ZINC000156661329 290716620 /nfs/dbraw/zinc/71/66/20/290716620.db2.gz USUGJLHPYATBSZ-STQMWFEESA-N 1 0 321.425 1.582 10 0 DDAERO COC[C@H]([NH3+])CN(C)C(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000111368470 185588334 /nfs/dbraw/zinc/58/83/34/185588334.db2.gz HETKDRNLJRDLJD-RXMQYKEDSA-N 1 0 312.238 1.428 10 0 DDAERO CC(C)C[NH2+]CC1CCN(S(=O)(=O)c2cn(C)cn2)CC1 ZINC000111719165 185630733 /nfs/dbraw/zinc/63/07/33/185630733.db2.gz 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CCCN(CC(=O)NC)c1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334200 193360289 /nfs/dbraw/zinc/36/02/89/193360289.db2.gz DZMBVLZTQFZRPK-UHFFFAOYSA-N 1 0 304.316 1.522 10 0 DDAERO C[C@H]1CN(c2nc(C(F)(F)F)ccc2C(N)=S)CC[N@@H+]1C ZINC000094336196 193361320 /nfs/dbraw/zinc/36/13/20/193361320.db2.gz CYFHZTSZYBZWKF-QMMMGPOBSA-N 1 0 318.368 1.875 10 0 DDAERO C[C@H]1CN(c2ccc(C(F)(F)F)cc2C(N)=O)CC[C@@H]1[NH3+] ZINC000094342597 193362732 /nfs/dbraw/zinc/36/27/32/193362732.db2.gz ZYYAELWIKFFKIM-KWQFWETISA-N 1 0 301.312 1.978 10 0 DDAERO Cc1nn([C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c(C)c1C[C@@H](C)[NH3+] ZINC000094644143 193389431 /nfs/dbraw/zinc/38/94/31/193389431.db2.gz NVDJCQYQBUURES-LERXQTSPSA-N 1 0 313.467 1.918 10 0 DDAERO CS(=O)(=O)CCCN1C[C@H](C2CC2)[NH2+]Cc2ccccc21 ZINC000094421461 193368621 /nfs/dbraw/zinc/36/86/21/193368621.db2.gz YSNGXUKGGXYHBY-OAHLLOKOSA-N 1 0 308.447 1.810 10 0 DDAERO Cc1cccc(N)c1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000094457210 193371488 /nfs/dbraw/zinc/37/14/88/193371488.db2.gz 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C[C@@H]([NH3+])[C@H](c1ccccc1Br)N(CCO)CCO ZINC000043092462 183336098 /nfs/dbraw/zinc/33/60/98/183336098.db2.gz OJYRFLJQFNWTJQ-ZWNOBZJWSA-N 1 0 317.227 1.124 10 0 DDAERO C[C@@H](O)c1cccc(S(=O)(=O)NCC(C)(C)[NH+](C)C)c1 ZINC000043412608 183361199 /nfs/dbraw/zinc/36/11/99/183361199.db2.gz URQBDWRQDZESEO-LLVKDONJSA-N 1 0 300.424 1.358 10 0 DDAERO O=S(=O)(NC1CC1)c1ccc(NC[C@H]2CCC[NH2+]C2)cc1 ZINC000044503306 183415833 /nfs/dbraw/zinc/41/58/33/183415833.db2.gz SUORJIRLMDWLJO-LBPRGKRZSA-N 1 0 309.435 1.539 10 0 DDAERO C[C@H](NS(=O)(=O)c1ccc(CC[NH3+])cc1)c1ccncc1 ZINC000044594404 183426274 /nfs/dbraw/zinc/42/62/74/183426274.db2.gz LHKFYKVIBDQJIO-LBPRGKRZSA-N 1 0 305.403 1.622 10 0 DDAERO COc1cccc(NC(=O)CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000105821436 194138529 /nfs/dbraw/zinc/13/85/29/194138529.db2.gz OWKZDRQNEGWHEP-UONOGXRCSA-N 1 0 321.421 1.021 10 0 DDAERO CCCCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105803499 194131686 /nfs/dbraw/zinc/13/16/86/194131686.db2.gz 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194161909 /nfs/dbraw/zinc/16/19/09/194161909.db2.gz MBIOVUQENNEDIX-CYBMUJFWSA-N 1 0 319.409 1.116 10 0 DDAERO CCOc1ccnc(N2CC[NH+](CCCOC(C)C)CC2)n1 ZINC000105917208 194169847 /nfs/dbraw/zinc/16/98/47/194169847.db2.gz YYPYDIWXFOOYON-UHFFFAOYSA-N 1 0 308.426 1.812 10 0 DDAERO Cc1ccc(CNC(=O)CN2CCO[C@@H](C[NH+](C)C)C2)cc1F ZINC000105927144 194172025 /nfs/dbraw/zinc/17/20/25/194172025.db2.gz WYJFWNBYLAKVPJ-HNNXBMFYSA-N 1 0 323.412 1.013 10 0 DDAERO CCNS(=O)(=O)c1ccccc1N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000050163873 183776158 /nfs/dbraw/zinc/77/61/58/183776158.db2.gz LRWVZMUWQRSBCQ-QWHCGFSZSA-N 1 0 311.451 1.785 10 0 DDAERO CCNc1ncccc1S(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000050633292 183791574 /nfs/dbraw/zinc/79/15/74/183791574.db2.gz WMGFBZZRINTNQN-UHFFFAOYSA-N 1 0 314.455 1.380 10 0 DDAERO [NH3+]Cc1ccc(CNS(=O)(=O)c2ccccc2F)c(F)c1 ZINC000109540469 194272331 /nfs/dbraw/zinc/27/23/31/194272331.db2.gz ZAPGUFRTHSHOQU-UHFFFAOYSA-N 1 0 312.341 1.902 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H](Cc2ccccc2)C(N)=S)C1 ZINC000110272552 194319488 /nfs/dbraw/zinc/31/94/88/194319488.db2.gz JLJJGKXJOZFUJE-KGLIPLIRSA-N 1 0 305.447 1.294 10 0 DDAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@H]([NH3+])CCOC ZINC000110777560 194358198 /nfs/dbraw/zinc/35/81/98/194358198.db2.gz SNWCOURWSPOMAC-SNVBAGLBSA-N 1 0 300.380 1.536 10 0 DDAERO NC(=S)C1(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CCCC1 ZINC000110917921 194368456 /nfs/dbraw/zinc/36/84/56/194368456.db2.gz XBEYORHCMYXMPK-CYBMUJFWSA-N 1 0 309.479 1.920 10 0 DDAERO CCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)N(C)C1CCCCC1 ZINC000110941795 194372257 /nfs/dbraw/zinc/37/22/57/194372257.db2.gz OJZPNLRCKBZEKE-CQSZACIVSA-N 1 0 303.472 1.570 10 0 DDAERO CCCN(Cc1cc(=O)n2ccsc2n1)[C@@H]1CCC[NH2+]C1 ZINC000110946020 194373349 /nfs/dbraw/zinc/37/33/49/194373349.db2.gz JYZSFRRPAWDVOA-CYBMUJFWSA-N 1 0 306.435 1.720 10 0 DDAERO COc1ccc([C@@H](SCCS(C)(=O)=O)[C@@H](C)[NH3+])cc1 ZINC000111003934 194379757 /nfs/dbraw/zinc/37/97/57/194379757.db2.gz NJCHJBDFMFLHQQ-MFKMUULPSA-N 1 0 303.449 1.861 10 0 DDAERO COCC[NH2+]C[C@@H](CCS(C)(=O)=O)Cc1ccc(C)cc1 ZINC000054666697 183947779 /nfs/dbraw/zinc/94/77/79/183947779.db2.gz BVYFGYMUFHHVLW-INIZCTEOSA-N 1 0 313.463 1.824 10 0 DDAERO C[C@@H](C(=O)Nc1cccc(C(N)=S)c1)N(C)CC[NH+](C)C ZINC000111137358 194394727 /nfs/dbraw/zinc/39/47/27/194394727.db2.gz BGXZWNKSCOSNRQ-NSHDSACASA-N 1 0 308.451 1.141 10 0 DDAERO CCN[C@](C)(CC[N@H+](C)C[C@@H]1CCCOC1)C(=O)OCC ZINC000111169537 194397404 /nfs/dbraw/zinc/39/74/04/194397404.db2.gz BNZUOCBXNSWZKX-GOEBONIOSA-N 1 0 300.443 1.666 10 0 DDAERO CC(C)(C)OC(=O)NC1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000058041042 184070369 /nfs/dbraw/zinc/07/03/69/184070369.db2.gz AVIZMDYPFAPLEH-UHFFFAOYSA-N 1 0 311.426 1.502 10 0 DDAERO COCCN(C)CC[NH2+][C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000061376742 184169482 /nfs/dbraw/zinc/16/94/82/184169482.db2.gz NPTZDLOPDZURSQ-CQSZACIVSA-N 1 0 312.435 1.073 10 0 DDAERO CC[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C1CC1)c1cnn(C)c1 ZINC000061594545 184175944 /nfs/dbraw/zinc/17/59/44/184175944.db2.gz POEAVIOYJZEOHV-GHMZBOCLSA-N 1 0 308.411 1.211 10 0 DDAERO CCN(CC)c1nc(Cl)nc(N2CCC[C@@H]2C[NH+](C)C)n1 ZINC000061654805 184181041 /nfs/dbraw/zinc/18/10/41/184181041.db2.gz OXQTXXFHOCKAJJ-LLVKDONJSA-N 1 0 312.849 1.902 10 0 DDAERO C[NH2+][C@@H]1CCC2(C[C@H]1S(=O)(=O)c1ccccc1)OCCO2 ZINC000061702798 184184507 /nfs/dbraw/zinc/18/45/07/184184507.db2.gz GWSAFHDEQJLUBY-ZIAGYGMSSA-N 1 0 311.403 1.344 10 0 DDAERO CC[NH2+]Cc1cnc(N2CCN(CC(F)(F)F)CC2)s1 ZINC000061948512 184198098 /nfs/dbraw/zinc/19/80/98/184198098.db2.gz RHPRJCBVVWNYCE-UHFFFAOYSA-N 1 0 308.373 1.937 10 0 DDAERO C[C@H](c1ccccc1Cl)N(C)[C@@H]1CS(=O)(=O)C[C@@H]1[NH3+] ZINC000062014452 184201029 /nfs/dbraw/zinc/20/10/29/184201029.db2.gz RMHXATTWVAGEMW-JIMOISOXSA-N 1 0 302.827 1.457 10 0 DDAERO COCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C(N)=S)cc1 ZINC000062031578 184202451 /nfs/dbraw/zinc/20/24/51/184202451.db2.gz LKQOEFWJVPYYFY-NSHDSACASA-N 1 0 309.435 1.616 10 0 DDAERO CS(=O)(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000062113699 184206424 /nfs/dbraw/zinc/20/64/24/184206424.db2.gz RYLGXXIWZIWBPU-MRVPVSSYSA-N 1 0 317.798 1.260 10 0 DDAERO CNS(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCCCCC1 ZINC000062356674 184232073 /nfs/dbraw/zinc/23/20/73/184232073.db2.gz HAZYYFJWLHMOAX-LBPRGKRZSA-N 1 0 301.412 1.251 10 0 DDAERO COCC[NH2+]Cc1cc(Cl)ccc1O[C@H](C)C(=O)N(C)C ZINC000062731016 184251474 /nfs/dbraw/zinc/25/14/74/184251474.db2.gz ZLMOUPTUYHUQML-LLVKDONJSA-N 1 0 314.813 1.932 10 0 DDAERO COCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCCC(N)=O ZINC000062733008 184251483 /nfs/dbraw/zinc/25/14/83/184251483.db2.gz BYVURRXPXFDBLT-UHFFFAOYSA-N 1 0 321.204 1.984 10 0 DDAERO C[C@@H]1CN[C@@H](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C[NH2+]1 ZINC000062814708 184253982 /nfs/dbraw/zinc/25/39/82/184253982.db2.gz YLSLDNFLOKNUQQ-RDDDGLTNSA-N 1 0 305.275 1.733 10 0 DDAERO CCS(=O)(=O)c1ccc(NC(=O)C2(C)CC[NH2+]CC2)cc1 ZINC000062840121 184255554 /nfs/dbraw/zinc/25/55/54/184255554.db2.gz QNTLCYUJWJDOBP-UHFFFAOYSA-N 1 0 310.419 1.808 10 0 DDAERO CC(C)NC(=O)COc1ccc(CC[NH3+])cc1Br ZINC000062703676 184248284 /nfs/dbraw/zinc/24/82/84/184248284.db2.gz POJLPYYUILTDOJ-UHFFFAOYSA-N 1 0 315.211 1.854 10 0 DDAERO Cc1ccsc1C[NH2+]CCN1CC[C@@H](N2CCOCC2)C1 ZINC000062974914 184263824 /nfs/dbraw/zinc/26/38/24/184263824.db2.gz AEALANPJVVJBPE-OAHLLOKOSA-N 1 0 309.479 1.553 10 0 DDAERO CN(C)CC[NH2+]CCSc1ccc(S(C)(=O)=O)cc1 ZINC000063132038 184272732 /nfs/dbraw/zinc/27/27/32/184272732.db2.gz SVXYEFHGQKOMNS-UHFFFAOYSA-N 1 0 302.465 1.333 10 0 DDAERO CCOCCCNC(=O)c1nc(C)n(C2CC[NH+](C)CC2)c1C ZINC000065257296 184318730 /nfs/dbraw/zinc/31/87/30/184318730.db2.gz CEOHTCPLHUOVOV-UHFFFAOYSA-N 1 0 322.453 1.923 10 0 DDAERO CCC[NH+]1CCC(CNC(=O)NCCn2cc(C)cn2)CC1 ZINC000118068420 194865976 /nfs/dbraw/zinc/86/59/76/194865976.db2.gz XHTPDMIVFAYOJP-UHFFFAOYSA-N 1 0 307.442 1.613 10 0 DDAERO CCN(Cc1ccccc1)S(=O)(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000262772421 285116527 /nfs/dbraw/zinc/11/65/27/285116527.db2.gz WGOLKKYLNPACRS-GJZGRUSLSA-N 1 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[NH3+][C@@H]1CC[C@H](C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)C1 ZINC000223357109 407568722 /nfs/dbraw/zinc/56/87/22/407568722.db2.gz FXJKCBPDOJRRKF-JKSUJKDBSA-N 1 0 321.465 1.755 10 0 DDAERO C[C@@H]1C[C@H]1C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114414519 407569970 /nfs/dbraw/zinc/56/99/70/407569970.db2.gz KLGFPQMUQRUTED-UKRRQHHQSA-N 1 0 302.422 1.448 10 0 DDAERO CS(=O)(=O)C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)C1CC1 ZINC000330301013 286602027 /nfs/dbraw/zinc/60/20/27/286602027.db2.gz IUPAORYTNGNLQS-HZSPNIEDSA-N 1 0 319.492 1.454 10 0 DDAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cncc(Br)c1 ZINC000071190458 406833926 /nfs/dbraw/zinc/83/39/26/406833926.db2.gz OKLZKLSMRFZSHP-SNVBAGLBSA-N 1 0 312.211 1.868 10 0 DDAERO C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000029954527 406929314 /nfs/dbraw/zinc/92/93/14/406929314.db2.gz HKEDIRXXMJZGJH-DZGCQCFKSA-N 1 0 319.449 1.956 10 0 DDAERO C[C@@H]1CN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000045617546 407046576 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CC[C@@](C)(O)C[NH+]1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000123499511 407330026 /nfs/dbraw/zinc/33/00/26/407330026.db2.gz XEZCWKAKPIOFNW-GOSISDBHSA-N 1 0 304.434 1.843 10 0 DDAERO CC(C)C(=O)NCCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106903447 407365392 /nfs/dbraw/zinc/36/53/92/407365392.db2.gz MGCORXPUDCQPFR-OAHLLOKOSA-N 1 0 305.422 1.048 10 0 DDAERO CC(C)C(=O)NCCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106903448 407365781 /nfs/dbraw/zinc/36/57/81/407365781.db2.gz MGCORXPUDCQPFR-HNNXBMFYSA-N 1 0 305.422 1.048 10 0 DDAERO O[C@@H]1C[C@@](C[NH2+]CC2CCCC2)(COc2cccnc2)C[C@@H]1O ZINC000107283862 407371778 /nfs/dbraw/zinc/37/17/78/407371778.db2.gz YBVSNPIJNBAHBS-BCDXTJNWSA-N 1 0 320.433 1.742 10 0 DDAERO CC1CCC(N2C[C@H](C(=O)N3CC[C@@H]([NH+](C)C)C3)CC2=O)CC1 ZINC000108994245 407394093 /nfs/dbraw/zinc/39/40/93/407394093.db2.gz ILURODUFJDFZDY-GYTBAZASSA-N 1 0 321.465 1.576 10 0 DDAERO CCc1cc(N2CCN([C@@H](C)C(N)=O)CC2)c2ccccc2[nH+]1 ZINC000125924660 407400788 /nfs/dbraw/zinc/40/07/88/407400788.db2.gz 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ZINC000171076619 407590546 /nfs/dbraw/zinc/59/05/46/407590546.db2.gz BRIAGGQVTZDKPP-OAHLLOKOSA-N 1 0 318.421 1.994 10 0 DDAERO CCOc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)cc1F ZINC000170843729 407527140 /nfs/dbraw/zinc/52/71/40/407527140.db2.gz BCWUHHFTKODPIT-LBPRGKRZSA-N 1 0 323.368 1.325 10 0 DDAERO CN(C)C(=O)c1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000170856277 407531273 /nfs/dbraw/zinc/53/12/73/407531273.db2.gz QTJKFKDNIYJHBF-HNNXBMFYSA-N 1 0 301.390 1.309 10 0 DDAERO CC(C)(O)c1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000185936934 407545275 /nfs/dbraw/zinc/54/52/75/407545275.db2.gz VMNXFPWQWXKVII-MRXNPFEDSA-N 1 0 317.433 1.904 10 0 DDAERO [NH3+]C1(C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)CCOCC1 ZINC000261755888 407603636 /nfs/dbraw/zinc/60/36/36/407603636.db2.gz FPAKXSLJHYZTLM-UHFFFAOYSA-N 1 0 322.315 1.801 10 0 DDAERO [NH3+][C@H](C(=O)N1CCN(Cc2ccccc2)CC1)C1CCOCC1 ZINC000261784673 407614585 /nfs/dbraw/zinc/61/45/85/407614585.db2.gz NDBDTVUBRWSTML-KRWDZBQOSA-N 1 0 317.433 1.085 10 0 DDAERO CN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000226462787 407616897 /nfs/dbraw/zinc/61/68/97/407616897.db2.gz OMCJEKQPVCTSNF-CQSZACIVSA-N 1 0 300.399 1.729 10 0 DDAERO COC(=O)c1ccc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)[nH]1 ZINC000261833810 407635122 /nfs/dbraw/zinc/63/51/22/407635122.db2.gz OMPUXXVVVIYDSF-ZBFHGGJFSA-N 1 0 313.401 1.976 10 0 DDAERO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000261881356 407653221 /nfs/dbraw/zinc/65/32/21/407653221.db2.gz FHZFXFDFXHUWIJ-CABCVRRESA-N 1 0 320.437 1.139 10 0 DDAERO CN(C)C(=O)C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CCCC1 ZINC000261883938 407653673 /nfs/dbraw/zinc/65/36/73/407653673.db2.gz FQKLWUYKPISMGE-BZUAXINKSA-N 1 0 323.481 1.382 10 0 DDAERO C[C@H]1C[C@H](NC(=O)C2([NH3+])CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000261934843 407678311 /nfs/dbraw/zinc/67/83/11/407678311.db2.gz WQNPYGRLLXUEMW-HOCLYGCPSA-N 1 0 317.433 1.274 10 0 DDAERO Cc1cccc(C)c1OC[C@H](C)NC(=O)C1([NH3+])CCOCC1 ZINC000261939362 407682651 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CCOc1ccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1OC ZINC000116797755 407779245 /nfs/dbraw/zinc/77/92/45/407779245.db2.gz ZPDVTQDJUGKKPH-AWEZNQCLSA-N 1 0 322.405 1.497 10 0 DDAERO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCC3)CCO1 ZINC000116901083 407795427 /nfs/dbraw/zinc/79/54/27/407795427.db2.gz GQXZCXDDZDSRED-OAHLLOKOSA-N 1 0 324.446 1.126 10 0 DDAERO COC[C@H]([NH3+])C(=O)NCc1cc(F)cc(Br)c1 ZINC000262315866 407797740 /nfs/dbraw/zinc/79/77/40/407797740.db2.gz PSZAJJMCKHOZGL-JTQLQIEISA-N 1 0 305.147 1.178 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000262341650 407807424 /nfs/dbraw/zinc/80/74/24/407807424.db2.gz FPTOEPFPCGAFKW-LLVKDONJSA-N 1 0 313.785 1.089 10 0 DDAERO CC[C@H](Cc1ccccc1)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117044879 407810104 /nfs/dbraw/zinc/81/01/04/407810104.db2.gz GZGQGDOVBJAIIL-IAGOWNOFSA-N 1 0 319.449 1.980 10 0 DDAERO CC[C@H]1CN(C(=O)COCc2ccccc2)CCN1CCOC ZINC000172229890 407811708 /nfs/dbraw/zinc/81/17/08/407811708.db2.gz GTAVILAXTOUDLW-KRWDZBQOSA-N 1 0 320.433 1.772 10 0 DDAERO CCc1nsc(N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000262367072 407814531 /nfs/dbraw/zinc/81/45/31/407814531.db2.gz XFGYSPYXIXGLAO-NEPJUHHUSA-N 1 0 323.466 1.185 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000133280119 407826734 /nfs/dbraw/zinc/82/67/34/407826734.db2.gz PIJJOOVZDZSWKY-ILXRZTDVSA-N 1 0 324.469 1.415 10 0 DDAERO COCCN1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C[C@H]1C ZINC000117425162 407833926 /nfs/dbraw/zinc/83/39/26/407833926.db2.gz ZTTKHTZUZSEDLS-FPCVCCKLSA-N 1 0 311.470 1.427 10 0 DDAERO CC(=O)N1CCCN(CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000173181531 407867359 /nfs/dbraw/zinc/86/73/59/407867359.db2.gz SNXJWZOXPDIZBL-UHFFFAOYSA-N 1 0 307.413 1.812 10 0 DDAERO C[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1N1CCOCC1 ZINC000180236419 407867987 /nfs/dbraw/zinc/86/79/87/407867987.db2.gz OJZZHPCNNPMHFN-ZBFHGGJFSA-N 1 0 306.454 1.791 10 0 DDAERO COC(=O)c1cccc2[nH]c(NC(=O)[C@@H]([NH3+])CCSC)nc21 ZINC000262587135 407873745 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410866956 /nfs/dbraw/zinc/86/69/56/410866956.db2.gz RVPKUTDUDGCGRM-IRXDYDNUSA-N 1 0 301.390 1.762 10 0 DDAERO O[C@H]1C[NH2+][C@@H](c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000131715878 418514003 /nfs/dbraw/zinc/51/40/03/418514003.db2.gz PIZIFYDJRYGNEJ-NXEZZACHSA-N 1 0 310.151 1.894 10 0 DDAERO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CCN1CCO ZINC000188818252 222029241 /nfs/dbraw/zinc/02/92/41/222029241.db2.gz XAMVXWCVKYGPSN-MRVWCRGKSA-N 1 0 324.371 1.593 10 0 DDAERO O=C(NCc1cccc(O)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000193994613 418538597 /nfs/dbraw/zinc/53/85/97/418538597.db2.gz JDPXXOGZLZCXFS-OAHLLOKOSA-N 1 0 307.394 1.038 10 0 DDAERO Cc1nc(N2CCO[C@@H]([C@H](C)[NH3+])C2)ccc1Br ZINC000300486651 418588428 /nfs/dbraw/zinc/58/84/28/418588428.db2.gz ZEWAOKLPKKIISF-GZMMTYOYSA-N 1 0 300.200 1.705 10 0 DDAERO COc1nc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)ncc1Br ZINC000310892158 418590969 /nfs/dbraw/zinc/59/09/69/418590969.db2.gz KWGRNMHVUOUGDD-PRHODGIISA-N 1 0 315.215 1.669 10 0 DDAERO C[C@@H]1CCN(c2ccc(S(C)(=O)=O)cc2F)[C@H](C[NH3+])C1 ZINC000261769735 287603349 /nfs/dbraw/zinc/60/33/49/287603349.db2.gz OPVRWOXOMINEMR-MNOVXSKESA-N 1 0 300.399 1.793 10 0 DDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)COc1cccc(Br)c1 ZINC000423650997 420115501 /nfs/dbraw/zinc/11/55/01/420115501.db2.gz VBLAWDLLALUXPU-SKDRFNHKSA-N 1 0 313.195 1.776 10 0 DDAERO COc1ccc(/C=C\C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1O ZINC000492730967 420643371 /nfs/dbraw/zinc/64/33/71/420643371.db2.gz DBJLTSZRGWKWER-BRLPQQTGSA-N 1 0 302.374 1.721 10 0 DDAERO C[C@@H]1CN(C(=O)c2nscc2Br)C[C@@H]1C[NH3+] ZINC000630089296 421882249 /nfs/dbraw/zinc/88/22/49/421882249.db2.gz FHONDPYVUBAECF-RQJHMYQMSA-N 1 0 304.213 1.572 10 0 DDAERO Cn1cc(O[C@@H]2C[N@H+](Cc3cccc4cc[nH]c43)C[C@H]2O)cn1 ZINC000628376163 422155741 /nfs/dbraw/zinc/15/57/41/422155741.db2.gz IEOJFKFDZTWCML-HZPDHXFCSA-N 1 0 312.373 1.526 10 0 DDAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000638010327 422553614 /nfs/dbraw/zinc/55/36/14/422553614.db2.gz JEHWKBLKQICEOY-IKGGRYGDSA-N 1 0 319.449 1.113 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC000177012953 263349997 /nfs/dbraw/zinc/34/99/97/263349997.db2.gz GAIKVUGBPYXHKF-QWHCGFSZSA-N 1 0 313.442 1.842 10 0 DDAERO CN(C(=O)c1nn(C)cc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000662768466 424761086 /nfs/dbraw/zinc/76/10/86/424761086.db2.gz ADOOAOFBFPHGLC-SECBINFHSA-N 1 0 315.215 1.397 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N1CCc2cccc(Br)c2C1 ZINC000262191025 274044035 /nfs/dbraw/zinc/04/40/35/274044035.db2.gz CGVNLDFRFIVZRL-GFCCVEGCSA-N 1 0 313.195 1.308 10 0 DDAERO CC1(C)CN(C(=O)c2ccc(N3CCCC3)nc2)CC[C@H]1[NH3+] ZINC000261829914 276128816 /nfs/dbraw/zinc/12/88/16/276128816.db2.gz IEYSZDRSCKNOCT-CQSZACIVSA-N 1 0 302.422 1.881 10 0 DDAERO CC(=O)Nc1ccc(CNC(=O)C2(C[NH3+])CCOCC2)cc1 ZINC000262327265 277074885 /nfs/dbraw/zinc/07/48/85/277074885.db2.gz RYEGWFNBSJNPQE-UHFFFAOYSA-N 1 0 305.378 1.017 10 0 DDAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]12 ZINC000185998543 277202842 /nfs/dbraw/zinc/20/28/42/277202842.db2.gz IDSAOGLRKCSBQL-KWCYVHTRSA-N 1 0 323.437 1.500 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CNC(=O)c1ccc(F)cc1 ZINC000176775798 277477743 /nfs/dbraw/zinc/47/77/43/277477743.db2.gz DDDGBYLSWKKZMS-OAHLLOKOSA-N 1 0 323.412 1.648 10 0 DDAERO COc1nc(N2CCC[C@H](C)[C@@H]2C[NH3+])ncc1Br ZINC000235022403 278084518 /nfs/dbraw/zinc/08/45/18/278084518.db2.gz VXESITQODSAITJ-WPRPVWTQSA-N 1 0 315.215 1.811 10 0 DDAERO Cc1csc([C@@H]2CCC[N@H+](CCCC(=O)NC(N)=O)C2)n1 ZINC000195338759 279045844 /nfs/dbraw/zinc/04/58/44/279045844.db2.gz RIRBZTAYBTWNOV-LLVKDONJSA-N 1 0 310.423 1.606 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)C[C@H]1CCCCO1 ZINC000245412946 279301834 /nfs/dbraw/zinc/30/18/34/279301834.db2.gz AQXZZVAPSKZHSC-ZIAGYGMSSA-N 1 0 304.456 1.301 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)C1 ZINC000249611955 279322267 /nfs/dbraw/zinc/32/22/67/279322267.db2.gz ODVUZSVRCAOPQK-HBNTYKKESA-N 1 0 321.343 1.044 10 0 DDAERO [NH3+]C[C@H]1CCCN(c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000044531907 279650928 /nfs/dbraw/zinc/65/09/28/279650928.db2.gz HMXBQURMEPCPDT-SNVBAGLBSA-N 1 0 304.362 1.858 10 0 DDAERO C[C@@H]1C[N@H+](CCN(C)c2ccccc2)C[C@H]1N1CCOCC1 ZINC000246736625 288168011 /nfs/dbraw/zinc/16/80/11/288168011.db2.gz YAESDISTNYGQDF-SJLPKXTDSA-N 1 0 303.450 1.775 10 0 DDAERO C[C@@H]1CN([C@H](CNC(=O)[C@H]2CCC[NH2+]2)c2cccs2)CCO1 ZINC000245972434 288251358 /nfs/dbraw/zinc/25/13/58/288251358.db2.gz OEQWJNYNKMPGEK-MGPQQGTHSA-N 1 0 323.462 1.378 10 0 DDAERO CC[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CCN1CCOC ZINC000117301782 281140814 /nfs/dbraw/zinc/14/08/14/281140814.db2.gz NBMLQPDPVXYVBZ-HOTGVXAUSA-N 1 0 311.470 1.430 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(CCC(=O)N(C)c2ccccc2)C[C@@H]1C ZINC000247046029 282031504 /nfs/dbraw/zinc/03/15/04/282031504.db2.gz ZCBDTYRCDQSSJF-HOTGVXAUSA-N 1 0 319.449 1.426 10 0 DDAERO Cc1ccc(OC[C@H](O)CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc1 ZINC000247397743 282049848 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Cc1cc(F)cc(C)c1S(=O)(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000229327992 301303328 /nfs/dbraw/zinc/30/33/28/301303328.db2.gz HMDPOZOUIPBADP-AAEUAGOBSA-N 1 0 300.399 1.848 10 0 DDAERO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1c[nH]nc1[C@@H]1CCOC1 ZINC000376402628 302073517 /nfs/dbraw/zinc/07/35/17/302073517.db2.gz JUAIAGYHXHJDNL-MGPQQGTHSA-N 1 0 318.421 1.612 10 0 DDAERO COC[C@H](O)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400340948 302369450 /nfs/dbraw/zinc/36/94/50/302369450.db2.gz HJSFDSCGBIPMPO-BFHYXJOUSA-N 1 0 316.442 1.619 10 0 DDAERO Brc1cnc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)s1 ZINC000584530175 337356749 /nfs/dbraw/zinc/35/67/49/337356749.db2.gz OMGIODJOBNXLLA-RKDXNWHRSA-N 1 0 318.240 1.468 10 0 DDAERO CC(C)Oc1cc2c(ccnc2OC[C@@H]2CC[NH2+]2)cc1C(N)=O ZINC000584639762 337379834 /nfs/dbraw/zinc/37/98/34/337379834.db2.gz LXUPNHIXRYCTOO-LBPRGKRZSA-N 1 0 315.373 1.862 10 0 DDAERO CO[C@]1(CO)CCC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000401792551 484009195 /nfs/dbraw/zinc/00/91/95/484009195.db2.gz XGDJZBZZJZNWRI-IAGOWNOFSA-N 1 0 309.406 1.037 10 0 DDAERO CC(C)([NH3+])CC(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000178888211 484110200 /nfs/dbraw/zinc/11/02/00/484110200.db2.gz BYIWRHHOYBDRBE-UHFFFAOYSA-N 1 0 321.469 1.410 10 0 DDAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1cccc(OCc2ccccn2)c1 ZINC000262070896 484260918 /nfs/dbraw/zinc/26/09/18/484260918.db2.gz CDHMANULTMWERO-YJBOKZPZSA-N 1 0 313.401 1.331 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cccc(Nc2ccccc2)c1 ZINC000262340478 484269091 /nfs/dbraw/zinc/26/90/91/484269091.db2.gz TUAPHQGXSQDQGV-PBHICJAKSA-N 1 0 311.385 1.740 10 0 DDAERO CC(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000157858643 519787235 /nfs/dbraw/zinc/78/72/35/519787235.db2.gz HRJXTQWBOQOATE-DZGCQCFKSA-N 1 0 324.446 1.726 10 0 DDAERO CN(C)C(=O)[C@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000156353010 521912104 /nfs/dbraw/zinc/91/21/04/521912104.db2.gz HLEXLKDBHXFTPB-OAHLLOKOSA-N 1 0 303.406 1.441 10 0 DDAERO CSCC[C@@H]([NH3+])C(=O)NC[C@@H]1COC2(CCCCCC2)O1 ZINC000158242045 525545521 /nfs/dbraw/zinc/54/55/21/525545521.db2.gz OAEXEQFUBRGWEQ-CHWSQXEVSA-N 1 0 316.467 1.649 10 0 DDAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn3ccncc23)[C@H](C)C1 ZINC000329670643 527751304 /nfs/dbraw/zinc/75/13/04/527751304.db2.gz SYUDJOMBFSQQDP-TZMCWYRMSA-N 1 0 301.394 1.532 10 0 DDAERO CCCc1nc(C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)co1 ZINC000329784148 528692264 /nfs/dbraw/zinc/69/22/64/528692264.db2.gz PASDFCVWMSSTLE-CYBMUJFWSA-N 1 0 321.421 1.952 10 0 DDAERO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](NC(C)=O)C2)cc1 ZINC000079198943 536759620 /nfs/dbraw/zinc/75/96/20/536759620.db2.gz DBJFEJXLHWWMKV-HNNXBMFYSA-N 1 0 319.405 1.624 10 0 DDAERO CC[C@@H](C[NH3+])[C@H](O)c1ncc(I)s1 ZINC000308205599 563503356 /nfs/dbraw/zinc/50/33/56/563503356.db2.gz HOPHQOJDAKJTMJ-FSPLSTOPSA-N 1 0 312.176 1.766 10 0 DDAERO [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000123936867 696736618 /nfs/dbraw/zinc/73/66/18/696736618.db2.gz DZKCJOWOQMODTC-LDYMZIIASA-N 1 0 306.790 1.885 10 0 DDAERO CC(C)c1ccc(NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170845309 697351223 /nfs/dbraw/zinc/35/12/23/697351223.db2.gz SBSQHCFMUTVWNW-HNNXBMFYSA-N 1 0 303.406 1.911 10 0 DDAERO Cn1cc([C@H]2CCN(CN3CC4(CC3=O)CCOCC4)C2)cn1 ZINC000176760934 697406181 /nfs/dbraw/zinc/40/61/81/697406181.db2.gz KJYBRSLOEOKDJK-AWEZNQCLSA-N 1 0 318.421 1.196 10 0 DDAERO CNC(=O)[C@H]([NH2+]Cc1cc(=O)oc2c(C)c(O)ccc12)C(C)C ZINC000183659433 697491649 /nfs/dbraw/zinc/49/16/49/697491649.db2.gz BBIBOBIXHRDACI-OAHLLOKOSA-N 1 0 318.373 1.667 10 0 DDAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000183867657 697495483 /nfs/dbraw/zinc/49/54/83/697495483.db2.gz JDIGDPNFKYAZEG-KGLIPLIRSA-N 1 0 301.427 1.637 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1[nH]nc2c1CCCC2 ZINC000188380706 697558077 /nfs/dbraw/zinc/55/80/77/697558077.db2.gz WSPDEFMLBPDUHZ-QWHCGFSZSA-N 1 0 302.422 1.526 10 0 DDAERO CCCC(=O)N[C@@H]1CCC[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000191981978 697617554 /nfs/dbraw/zinc/61/75/54/697617554.db2.gz OHRUAPFIYWJZBL-KGLIPLIRSA-N 1 0 308.422 1.853 10 0 DDAERO C[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)NC(=O)OC(C)(C)C ZINC000194489797 697711710 /nfs/dbraw/zinc/71/17/10/697711710.db2.gz OEZXHTDTAIBJQT-RYUDHWBXSA-N 1 0 314.430 1.245 10 0 DDAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC000227658590 697770027 /nfs/dbraw/zinc/77/00/27/697770027.db2.gz XBRKPBXGHAEBIT-CHWSQXEVSA-N 1 0 311.426 1.502 10 0 DDAERO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)C1 ZINC000246212842 698345949 /nfs/dbraw/zinc/34/59/49/698345949.db2.gz FZVAUQVNJDAXRH-MPKXVKKWSA-N 1 0 316.323 1.680 10 0 DDAERO C[C@H]([NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)C(=O)N(C)C ZINC000246880065 698356863 /nfs/dbraw/zinc/35/68/63/698356863.db2.gz GPIONZIFTJJWJD-AVGNSLFASA-N 1 0 313.442 1.746 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cn1nc(C2CC2)n(C)c1=S ZINC000246998472 698359468 /nfs/dbraw/zinc/35/94/68/698359468.db2.gz IJAHZKVRPIABPZ-AAEUAGOBSA-N 1 0 307.467 1.954 10 0 DDAERO CC[C@@H]1CN(Cc2c(C)nn(C)c2Cl)CC[N@@H+]1C[C@H](C)O ZINC000247224438 698363229 /nfs/dbraw/zinc/36/32/29/698363229.db2.gz QUFOQAHVXLZWDO-WCQYABFASA-N 1 0 314.861 1.659 10 0 DDAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000249836933 698398166 /nfs/dbraw/zinc/39/81/66/698398166.db2.gz FNMQDBSHLVMJQV-OBJOEFQTSA-N 1 0 304.394 1.311 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC=C1c2ccccc2C(=O)NC1=O ZINC000255295319 698415151 /nfs/dbraw/zinc/41/51/51/698415151.db2.gz CSEHLCQYDNEJHR-CMHHUMAZSA-N 1 0 301.390 1.617 10 0 DDAERO Brc1cccnc1N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261566527 698427884 /nfs/dbraw/zinc/42/78/84/698427884.db2.gz IGAFSJVVOPARTF-LLVKDONJSA-N 1 0 311.227 1.328 10 0 DDAERO O=S(=O)(c1ccc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1)C(F)F ZINC000261601225 698428451 /nfs/dbraw/zinc/42/84/51/698428451.db2.gz BRKCMZHLJIPUIX-MFKMUULPSA-N 1 0 316.373 1.871 10 0 DDAERO C[NH2+][C@H](C)CNC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1 ZINC000261651282 698431278 /nfs/dbraw/zinc/43/12/78/698431278.db2.gz FCUKRNXGONNSSL-GFCCVEGCSA-N 1 0 305.422 1.800 10 0 DDAERO C[C@@H]([NH3+])CC(=O)Nc1cccc(NC(=O)[C@H](C)n2cccn2)c1 ZINC000261692542 698433042 /nfs/dbraw/zinc/43/30/42/698433042.db2.gz CCDBBFOXQPARMH-NEPJUHHUSA-N 1 0 315.377 1.759 10 0 DDAERO COc1cccc(N2CCN(C(=O)CC[C@H]3CCC[NH2+]3)CC2)c1 ZINC000261885565 698442812 /nfs/dbraw/zinc/44/28/12/698442812.db2.gz MYZNIDRYHNCONY-OAHLLOKOSA-N 1 0 317.433 1.876 10 0 DDAERO O=C(NC[C@@H]1CCCN(c2ccc(Cl)cn2)C1)[C@H]1CCC[NH2+]1 ZINC000262135833 698455710 /nfs/dbraw/zinc/45/57/10/698455710.db2.gz LZMSEHKHQHGHSX-GXTWGEPZSA-N 1 0 322.840 1.820 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C ZINC000262300327 698463846 /nfs/dbraw/zinc/46/38/46/698463846.db2.gz NUFMTXDHVMBWKW-LBPRGKRZSA-N 1 0 307.394 1.892 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000262402085 698467779 /nfs/dbraw/zinc/46/77/79/698467779.db2.gz ZWDPRDDIKCRUNZ-GXTWGEPZSA-N 1 0 324.421 1.881 10 0 DDAERO CO[C@H]1C[C@@H](C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)[N@H+](C)C1 ZINC000329070422 698750653 /nfs/dbraw/zinc/75/06/53/698750653.db2.gz YMKMUXFYHQAJQB-AVGNSLFASA-N 1 0 321.425 1.024 10 0 DDAERO O=C(NC[C@H]1CC[NH2+]C1)c1cc(Br)cnc1F ZINC000700869555 699223909 /nfs/dbraw/zinc/22/39/09/699223909.db2.gz LIXKJDNRUWTVQU-ZETCQYMHSA-N 1 0 302.147 1.323 10 0 DDAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+]Cc2cncs2)C1 ZINC000702836013 699233563 /nfs/dbraw/zinc/23/35/63/699233563.db2.gz FPBDTRNIHMIBDP-PWSUYJOCSA-N 1 0 313.423 1.461 10 0 DDAERO CC[C@](C)(C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)OC ZINC000702836526 699233598 /nfs/dbraw/zinc/23/35/98/699233598.db2.gz GDFOKRMXHNDMQX-DVOMOZLQSA-N 1 0 316.442 1.619 10 0 DDAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000705681631 699241989 /nfs/dbraw/zinc/24/19/89/699241989.db2.gz UFCCIIVHNQFOEC-IHRRRGAJSA-N 1 0 312.410 1.497 10 0 DDAERO CCn1cc(C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C2)nn1 ZINC000714947356 699273290 /nfs/dbraw/zinc/27/32/90/699273290.db2.gz GYCYQXKSFMQNTE-GFCCVEGCSA-N 1 0 309.414 1.645 10 0 DDAERO C[C@H]([NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1cn(C)nn1 ZINC000715924549 699277935 /nfs/dbraw/zinc/27/79/35/699277935.db2.gz WGSUHGJBLOQSTI-QWRGUYRKSA-N 1 0 309.414 1.721 10 0 DDAERO CC(C)(C)OC(=O)N(CC[NH2+]C1CC(C(N)=O)C1)C(C)(C)C ZINC000716699660 699284033 /nfs/dbraw/zinc/28/40/33/699284033.db2.gz TVCAOBYUWCSZKO-UHFFFAOYSA-N 1 0 313.442 1.876 10 0 DDAERO C[C@@H]1C[NH2+]C[C@H]1CCNc1cnn(C)c(=O)c1Br ZINC000721035227 699310673 /nfs/dbraw/zinc/31/06/73/699310673.db2.gz FNDFVYOQOOLPTL-RKDXNWHRSA-N 1 0 315.215 1.200 10 0 DDAERO CC(C)(C)[NH2+]CCC(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000826959460 705899603 /nfs/dbraw/zinc/89/96/03/705899603.db2.gz AGAZJBUPTSEBEX-CYBMUJFWSA-N 1 0 305.426 1.707 10 0 DDAERO CCN1CCO[C@@H](C[NH2+]Cc2conc2C)[C@@H]1c1ccnn1C ZINC000886081890 708694563 /nfs/dbraw/zinc/69/45/63/708694563.db2.gz BWPJKXNMSFAKFW-HOTGVXAUSA-N 1 0 319.409 1.268 10 0 DDAERO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3c[nH]nc3[C@@H]3CCOC3)C[C@@]2(C)C1 ZINC000913281002 713190184 /nfs/dbraw/zinc/19/01/84/713190184.db2.gz JQIVLJPMFLQQRT-JLZZUVOBSA-N 1 0 318.421 1.327 10 0 DDAERO c1c(C2CC2)nnn1[C@H]1CC[N@@H+](CCO[C@@H]2CCCCO2)C1 ZINC000931123245 714007847 /nfs/dbraw/zinc/00/78/47/714007847.db2.gz DGYKDNIQOZXQSJ-GOEBONIOSA-N 1 0 306.410 1.946 10 0 DDAERO C[NH2+][C@@H]1c2ccccc2CCC[C@H]1Sc1n[nH]c(=O)n1C ZINC000081880713 192333727 /nfs/dbraw/zinc/33/37/27/192333727.db2.gz UAYHKUMGWVOPPF-CHWSQXEVSA-N 1 0 304.419 1.866 10 0 DDAERO Cn1c(S[C@@H]2C[C@@H](c3ccccc3)CC[C@@H]2[NH3+])n[nH]c1=O ZINC000081880338 192334470 /nfs/dbraw/zinc/33/44/70/192334470.db2.gz DIHWITMMTLEEPX-RWMBFGLXSA-N 1 0 304.419 1.864 10 0 DDAERO C[NH2+][C@H](C)c1cccc(NC(=O)N[C@H](C)CS(C)(=O)=O)c1 ZINC000081905946 192337907 /nfs/dbraw/zinc/33/79/07/192337907.db2.gz INCIHSHXBGJRKK-GHMZBOCLSA-N 1 0 313.423 1.522 10 0 DDAERO CC[NH2+][C@@H]1CCOC[C@H]1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000081934459 192342797 /nfs/dbraw/zinc/34/27/97/192342797.db2.gz KODZCPPCPLETAK-CHWSQXEVSA-N 1 0 305.346 1.506 10 0 DDAERO CC[C@@H](CC[NH3+])CCC(=O)Nc1ccccc1S(N)(=O)=O ZINC000079211221 185161574 /nfs/dbraw/zinc/16/15/74/185161574.db2.gz UIIVLQFWOIDRKT-LLVKDONJSA-N 1 0 313.423 1.428 10 0 DDAERO C[N@@H+]1CCC[C@H]1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000082311615 185175241 /nfs/dbraw/zinc/17/52/41/185175241.db2.gz COXQPYSQYGSFBP-INIZCTEOSA-N 1 0 305.397 1.959 10 0 DDAERO CCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(Cl)cc1OC ZINC000087404046 185223869 /nfs/dbraw/zinc/22/38/69/185223869.db2.gz DBSMMTSGMSSXAL-SNVBAGLBSA-N 1 0 306.815 1.754 10 0 DDAERO CC[NH2+][C@@](C)(CCO)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000087564374 185228395 /nfs/dbraw/zinc/22/83/95/185228395.db2.gz CYVLONUDDJXHSY-AWEZNQCLSA-N 1 0 300.424 1.144 10 0 DDAERO CC(C)(CCN1CCn2c(nnc2C(F)(F)F)C1)C(N)=[NH2+] ZINC000087593994 185229121 /nfs/dbraw/zinc/22/91/21/185229121.db2.gz SIQMZVLRBHVZRX-UHFFFAOYSA-N 1 0 304.320 1.465 10 0 DDAERO Cc1nnc(S[C@H](C)C(=O)NC2CCCCC2)n1CC[NH3+] ZINC000087711367 185230866 /nfs/dbraw/zinc/23/08/66/185230866.db2.gz PDJKZZUPOOWDMO-SNVBAGLBSA-N 1 0 311.455 1.475 10 0 DDAERO Cc1nnc(SCc2nnc(-c3cccs3)o2)n1CC[NH3+] ZINC000087715117 185230915 /nfs/dbraw/zinc/23/09/15/185230915.db2.gz IIGLXIFPBJQAOI-UHFFFAOYSA-N 1 0 322.419 1.949 10 0 DDAERO NNc1cc(Nc2ccc(F)cc2Br)nc(N)[nH+]1 ZINC000087884795 185234443 /nfs/dbraw/zinc/23/44/43/185234443.db2.gz ZFBZMMAZHKAFCT-UHFFFAOYSA-N 1 0 313.134 1.990 10 0 DDAERO CCC[NH2+][C@H]1CCC(C)(C)C[C@H]1S(=O)(=O)CCC(=O)OC ZINC000081974790 192347575 /nfs/dbraw/zinc/34/75/75/192347575.db2.gz AYMDBGIIWVAAOU-QWHCGFSZSA-N 1 0 319.467 1.911 10 0 DDAERO CC[NH2+][C@@H](CS(=O)(=O)CC(=O)OCC)c1ccccc1C ZINC000081977571 192347812 /nfs/dbraw/zinc/34/78/12/192347812.db2.gz IVZRAHQKRBPLQF-AWEZNQCLSA-N 1 0 313.419 1.624 10 0 DDAERO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2cccnc2N)CC1 ZINC000088071010 185238793 /nfs/dbraw/zinc/23/87/93/185238793.db2.gz HCBJBNMNCWBLEU-UHFFFAOYSA-N 1 0 312.439 1.205 10 0 DDAERO CCO[C@@H](C[NH3+])C[S@](=O)c1ccc(Br)cc1 ZINC000088144586 185240694 /nfs/dbraw/zinc/24/06/94/185240694.db2.gz COBAFQVBAUTUPM-MGPLVRAMSA-N 1 0 306.225 1.921 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cnn(Cc3ccccn3)c2)C1 ZINC000175909606 539228829 /nfs/dbraw/zinc/22/88/29/539228829.db2.gz YOCABBDLXZKFDU-HNNXBMFYSA-N 1 0 314.393 1.494 10 0 DDAERO CC(C)Cc1nnc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCCO2)s1 ZINC000183130828 539240956 /nfs/dbraw/zinc/24/09/56/539240956.db2.gz AEGJGQPFBSRVFR-MNOVXSKESA-N 1 0 312.439 1.832 10 0 DDAERO COc1ccccc1C[C@H](C)N(C)S(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC000088244863 185243426 /nfs/dbraw/zinc/24/34/26/185243426.db2.gz KXOCFDNSHUKITN-GXTWGEPZSA-N 1 0 312.435 1.250 10 0 DDAERO [NH3+][C@H](Cc1ccccc1)[C@H](O)Cn1cc(Br)cn1 ZINC000088397796 185248421 /nfs/dbraw/zinc/24/84/21/185248421.db2.gz HJTBSVHJLQRCET-CHWSQXEVSA-N 1 0 310.195 1.577 10 0 DDAERO NNc1cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)cc[nH+]1 ZINC000088432969 185249728 /nfs/dbraw/zinc/24/97/28/185249728.db2.gz OYYKLFUJTJDINS-UHFFFAOYSA-N 1 0 324.328 1.330 10 0 DDAERO CN[C@@](C[NH+]1CCC(C(F)(F)F)CC1)(C(=O)OC)C1CC1 ZINC000088435458 185250339 /nfs/dbraw/zinc/25/03/39/185250339.db2.gz LEKOVXDRDUYLFQ-CYBMUJFWSA-N 1 0 308.344 1.802 10 0 DDAERO [NH3+]C[C@@H](C(=O)Nc1cnc(Br)cn1)c1ccccc1 ZINC000088446394 185251311 /nfs/dbraw/zinc/25/13/11/185251311.db2.gz WXKSAJBAORALHM-SNVBAGLBSA-N 1 0 321.178 1.920 10 0 DDAERO COC[C@H](C)CNS(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000088543104 185256237 /nfs/dbraw/zinc/25/62/37/185256237.db2.gz ACIMGIIYIWKQCK-GFCCVEGCSA-N 1 0 318.439 1.586 10 0 DDAERO CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1S(=O)(=O)CC(=O)OCC ZINC000081977977 192348906 /nfs/dbraw/zinc/34/89/06/192348906.db2.gz PXIRWUGWNQTVLA-IHRRRGAJSA-N 1 0 319.467 1.767 10 0 DDAERO C[NH2+][C@H](Cc1ncnn1C)Cc1cccc(Br)c1 ZINC000088581821 185258566 /nfs/dbraw/zinc/25/85/66/185258566.db2.gz RYGLUKFGFNPDAL-LBPRGKRZSA-N 1 0 309.211 1.951 10 0 DDAERO Cc1nn(C)c2sc(C(=O)N3CC[C@@H]([NH+](C)C)C3)c(N)c12 ZINC000088643357 185261186 /nfs/dbraw/zinc/26/11/86/185261186.db2.gz MYUJRTSGOLNYCM-SECBINFHSA-N 1 0 307.423 1.302 10 0 DDAERO C[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)S(=O)(=O)CCCOC ZINC000081986285 192349224 /nfs/dbraw/zinc/34/92/24/192349224.db2.gz KOWQIQBATULSMM-WFASDCNBSA-N 1 0 315.435 1.796 10 0 DDAERO COC[C@@H](O)C[NH+]1CCC(NC(=O)c2cscc2C)CC1 ZINC000089965775 185272443 /nfs/dbraw/zinc/27/24/43/185272443.db2.gz JPCDXKFRCNHDKD-ZDUSSCGKSA-N 1 0 312.435 1.258 10 0 DDAERO CCCN(CC[NH+](C)C)S(=O)(=O)c1ccc(CCO)cc1 ZINC000088895150 185270216 /nfs/dbraw/zinc/27/02/16/185270216.db2.gz FYLRBVWHPJVIMR-UHFFFAOYSA-N 1 0 314.451 1.184 10 0 DDAERO COc1cccc(COC[C@H](O)C[NH2+][C@H](C)[C@@H]2CCCO2)c1 ZINC000248616350 539272271 /nfs/dbraw/zinc/27/22/71/539272271.db2.gz RQUCWWWNWFTOAF-UNEWFSDZSA-N 1 0 309.406 1.730 10 0 DDAERO CCN(CC(=O)Nc1cccc(Br)c1)C1C[NH2+]C1 ZINC000090291953 185289751 /nfs/dbraw/zinc/28/97/51/185289751.db2.gz LLMHBMWPHRDAPZ-UHFFFAOYSA-N 1 0 312.211 1.681 10 0 DDAERO CCCN(C1C[NH2+]C1)S(=O)(=O)c1ccc(F)c(F)c1F ZINC000090293283 185289916 /nfs/dbraw/zinc/28/99/16/185289916.db2.gz GBUBKSDAMHOTFP-UHFFFAOYSA-N 1 0 308.325 1.476 10 0 DDAERO O=S(=O)(c1ccccc1N1C[C@H]2C[NH2+]C[C@@H]2C1)C(F)F ZINC000090322747 185291137 /nfs/dbraw/zinc/29/11/37/185291137.db2.gz FWOCLUMHALTSPN-NXEZZACHSA-N 1 0 302.346 1.339 10 0 DDAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000090326310 185291190 /nfs/dbraw/zinc/29/11/90/185291190.db2.gz XJUJEPLJRITZHJ-FXPVBKGRSA-N 1 0 302.346 1.193 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1ccc(C)cc1C ZINC000090331699 185291249 /nfs/dbraw/zinc/29/12/49/185291249.db2.gz LGDGEUKKMFFOLF-RBSFLKMASA-N 1 0 308.447 1.922 10 0 DDAERO Cc1nn(C)c(CN2C[C@@H]3C[NH2+]C[C@@H]3[C@@H]2C)c1Br ZINC000090327020 185291290 /nfs/dbraw/zinc/29/12/90/185291290.db2.gz JATXAGATOAWRFZ-GARJFASQSA-N 1 0 313.243 1.531 10 0 DDAERO Cc1cc(F)ccc1S(=O)(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000090336863 185291738 /nfs/dbraw/zinc/29/17/38/185291738.db2.gz RKUFVRYBMKNSQC-AAEUAGOBSA-N 1 0 312.410 1.753 10 0 DDAERO CCS(=O)(=O)c1ccccc1N1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000090338683 185291810 /nfs/dbraw/zinc/29/18/10/185291810.db2.gz JSHCGHCPIGPAQK-STQMWFEESA-N 1 0 308.447 1.914 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1S(=O)(=O)N1CCCCCC1 ZINC000090336963 185291823 /nfs/dbraw/zinc/29/18/23/185291823.db2.gz ZMPSDHWFXBWWFG-QWHCGFSZSA-N 1 0 301.456 1.037 10 0 DDAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1COC[C@@H]1[NH3+] ZINC000090382099 185293472 /nfs/dbraw/zinc/29/34/72/185293472.db2.gz KXDHCGXXQOGHOZ-JQWIXIFHSA-N 1 0 303.189 1.926 10 0 DDAERO C[C@H](NC(=O)[C@H]1COC[C@@H]1[NH3+])c1ccccc1Br ZINC000090379904 185293518 /nfs/dbraw/zinc/29/35/18/185293518.db2.gz KYRZPFQOFOOFQY-PEXQALLHSA-N 1 0 313.195 1.600 10 0 DDAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1COC[C@H]1[NH3+] ZINC000090382566 185293522 /nfs/dbraw/zinc/29/35/22/185293522.db2.gz NTWLZOLHAVECLJ-VXGBXAGGSA-N 1 0 303.189 1.926 10 0 DDAERO COc1ccc(NC(=O)[C@H]2COC[C@@H]2[NH3+])cc1OC(F)F ZINC000090381103 185293639 /nfs/dbraw/zinc/29/36/39/185293639.db2.gz COEMBSNDPLTXNT-IUCAKERBSA-N 1 0 302.277 1.209 10 0 DDAERO CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1COC[C@@H]1[NH2+]C ZINC000090434612 185296275 /nfs/dbraw/zinc/29/62/75/185296275.db2.gz GHYBQBRHRJWWOB-QWRGUYRKSA-N 1 0 302.827 1.984 10 0 DDAERO CC[NH2+][C@H](c1ccccc1)[C@H](C)S(=O)(=O)CCC(=O)OC ZINC000082004475 192353686 /nfs/dbraw/zinc/35/36/86/192353686.db2.gz JOGMVYQRUQELLZ-WFASDCNBSA-N 1 0 313.419 1.704 10 0 DDAERO CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1S(=O)(=O)CC(=O)OCC ZINC000082009989 192353713 /nfs/dbraw/zinc/35/37/13/192353713.db2.gz BIUICHCOLBYALO-IHRRRGAJSA-N 1 0 319.467 1.911 10 0 DDAERO C[C@]1(C(=O)N(Cc2ccco2)CC(F)(F)F)COC[C@H]1[NH3+] ZINC000090590742 185305353 /nfs/dbraw/zinc/30/53/53/185305353.db2.gz MWGWMDFVDLUVFT-PWSUYJOCSA-N 1 0 306.284 1.534 10 0 DDAERO C[C@@]1(C(=O)NCc2ccc(OC(F)F)cc2)COC[C@H]1[NH3+] ZINC000090598298 185305968 /nfs/dbraw/zinc/30/59/68/185305968.db2.gz BLBYOEKKVWIFDZ-BXUZGUMPSA-N 1 0 300.305 1.268 10 0 DDAERO Cn1c2ccc(Br)cc2nc1[C@]1(C)COC[C@H]1[NH3+] ZINC000090571759 185304401 /nfs/dbraw/zinc/30/44/01/185304401.db2.gz UKHDXSCNZNSWPC-DGCLKSJQSA-N 1 0 310.195 1.951 10 0 DDAERO CC[NH2+]C[C@H](C)c1c(C)nn(CCS(=O)(=O)CC)c1C ZINC000092323559 185312371 /nfs/dbraw/zinc/31/23/71/185312371.db2.gz OAAGCKVCRJNRHL-NSHDSACASA-N 1 0 301.456 1.648 10 0 DDAERO Cc1noc(C)c1[C@@H](C)NS(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000092339843 185313072 /nfs/dbraw/zinc/31/30/72/185313072.db2.gz SDFSKJGOXQDFNE-ZYHUDNBSSA-N 1 0 301.412 1.271 10 0 DDAERO CC(C)[NH2+]CCCN(C)S(=O)(=O)NCC1C(C)(C)C1(C)C ZINC000092833188 185344808 /nfs/dbraw/zinc/34/48/08/185344808.db2.gz MJFQWYQOWGKCLB-UHFFFAOYSA-N 1 0 319.515 1.823 10 0 DDAERO CC[NH2+][C@H](C)[C@H]1CCCCN1S(=O)(=O)c1cn(CC)cn1 ZINC000092889743 185348132 /nfs/dbraw/zinc/34/81/32/185348132.db2.gz KLMYBHFBESWGSS-CHWSQXEVSA-N 1 0 314.455 1.444 10 0 DDAERO C[N@H+](CCO)C1CCN(c2cc(N3CCCCC3)ncn2)CC1 ZINC000302041507 529920294 /nfs/dbraw/zinc/92/02/94/529920294.db2.gz NTXFEQAQVXIPNS-UHFFFAOYSA-N 1 0 319.453 1.360 10 0 DDAERO CCCn1cc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)nc1C ZINC000070120829 190859494 /nfs/dbraw/zinc/85/94/94/190859494.db2.gz WONKSISUPSUDGO-GFCCVEGCSA-N 1 0 300.428 1.022 10 0 DDAERO C[C@@H]1CC[C@@H](C[NH3+])CN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000070181305 190868952 /nfs/dbraw/zinc/86/89/52/190868952.db2.gz AWDAWMBRLXPNLO-ZJUUUORDSA-N 1 0 304.362 1.713 10 0 DDAERO C[C@H]1CC[C@H](C[NH3+])CN1S(=O)(=O)c1c(F)cccc1F ZINC000070181320 190868470 /nfs/dbraw/zinc/86/84/70/190868470.db2.gz RLBWCWJKEYISNB-VHSXEESVSA-N 1 0 304.362 1.713 10 0 DDAERO COc1ccc(OC)c(-c2cc(N3CCC[NH2+]CC3)n[nH]2)c1 ZINC000070460005 190897869 /nfs/dbraw/zinc/89/78/69/190897869.db2.gz WEECYZLPPWAYHS-UHFFFAOYSA-N 1 0 302.378 1.894 10 0 DDAERO CN(C)S(=O)(=O)c1ccc(N2CCCC[C@@H]2CC[NH3+])cc1 ZINC000070975409 190927751 /nfs/dbraw/zinc/92/77/51/190927751.db2.gz XRYSITWFPVMYRZ-CYBMUJFWSA-N 1 0 311.451 1.645 10 0 DDAERO C[NH2+]C[C@H]1CCN(c2ccc(C(N)=O)c(C(F)(F)F)c2)C1 ZINC000071148217 190936980 /nfs/dbraw/zinc/93/69/80/190936980.db2.gz DZMNFZQUNYPQHG-SECBINFHSA-N 1 0 301.312 1.850 10 0 DDAERO CCN(C1(C[NH3+])CCCCCC1)S(=O)(=O)CCCOC ZINC000071233547 190947195 /nfs/dbraw/zinc/94/71/95/190947195.db2.gz QHLPNHVSFQNYFU-UHFFFAOYSA-N 1 0 306.472 1.726 10 0 DDAERO [NH3+]Cc1ccn(Cc2ccc(I)cc2)n1 ZINC000083851665 192387884 /nfs/dbraw/zinc/38/78/84/192387884.db2.gz ATNVUIHANGQXOY-UHFFFAOYSA-N 1 0 313.142 1.995 10 0 DDAERO CC(C)(C)[C@@H]([NH3+])C[S@@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084055915 192397586 /nfs/dbraw/zinc/39/75/86/192397586.db2.gz MXAQKBVSERVZOR-SGTLLEGYSA-N 1 0 303.449 1.571 10 0 DDAERO CN1C[C@@H]([NH2+]Cc2ccc(O)c(Br)c2)CCC1=O ZINC000084063469 192399749 /nfs/dbraw/zinc/39/97/49/192399749.db2.gz JLEMQNDTRBANIM-JTQLQIEISA-N 1 0 313.195 1.865 10 0 DDAERO COC(=O)CCS(=O)(=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000084271048 192418424 /nfs/dbraw/zinc/41/84/24/192418424.db2.gz ZETJLLPSYFDRDF-JHJVBQTASA-N 1 0 319.467 1.754 10 0 DDAERO O=S(=O)(NC[C@@H]1CC[NH2+]C1)c1cc(Cl)ccc1Cl ZINC000133738154 186010645 /nfs/dbraw/zinc/01/06/45/186010645.db2.gz CGFPEQOYHUPJFZ-MRVPVSSYSA-N 1 0 309.218 1.881 10 0 DDAERO COCCO[C@H]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000187990173 186240206 /nfs/dbraw/zinc/24/02/06/186240206.db2.gz PAGWTXNCGRYDBP-DLBZAZTESA-N 1 0 320.433 1.423 10 0 DDAERO CCc1nc(CCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cs1 ZINC000171906668 198005777 /nfs/dbraw/zinc/00/57/77/198005777.db2.gz CTWBFDAAXHSZSZ-CYBMUJFWSA-N 1 0 308.451 1.738 10 0 DDAERO COc1cc(C[NH2+][C@@H]2CCOC[C@@H]2O)cc(Cl)c1OC ZINC000623764467 366042913 /nfs/dbraw/zinc/04/29/13/366042913.db2.gz FKCLISDFLSOLFV-NEPJUHHUSA-N 1 0 301.770 1.597 10 0 DDAERO Cc1nn(C)c(C)c1CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000173490602 198220434 /nfs/dbraw/zinc/22/04/34/198220434.db2.gz JSQPVJIQCZQMOS-SMDDNHRTSA-N 1 0 305.426 1.415 10 0 DDAERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)NCCOc1cccc(F)c1 ZINC000173702727 198242249 /nfs/dbraw/zinc/24/22/49/198242249.db2.gz IMWXBZIAFQOHMD-OAHLLOKOSA-N 1 0 321.396 1.101 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc3c(c2)CCO3)C1 ZINC000173883227 198263517 /nfs/dbraw/zinc/26/35/17/198263517.db2.gz PLDJZOMJNSGMGX-DOMZBBRYSA-N 1 0 324.446 1.629 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc3[nH]ccc3c2)C1 ZINC000174006905 198280375 /nfs/dbraw/zinc/28/03/75/198280375.db2.gz PMWSBBQQHHFTGY-CYBMUJFWSA-N 1 0 300.362 1.269 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(C[C@@H](O)COc2cccc(C)c2)CC1 ZINC000174078406 198287880 /nfs/dbraw/zinc/28/78/80/198287880.db2.gz FMGNORFOFWODHL-DLBZAZTESA-N 1 0 322.449 1.123 10 0 DDAERO C[C@H](CCOc1ccccc1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000174319871 198318992 /nfs/dbraw/zinc/31/89/92/198318992.db2.gz HGPZKMDUYZIXNJ-NVXWUHKLSA-N 1 0 320.433 1.881 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cn(C)c3ccccc23)C[C@@H]1C ZINC000174328844 198320142 /nfs/dbraw/zinc/32/01/42/198320142.db2.gz ZXSARSDFZJAEMI-UONOGXRCSA-N 1 0 315.417 1.705 10 0 DDAERO CC[C@@H]1CN(C(=O)CCc2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000174590094 198356415 /nfs/dbraw/zinc/35/64/15/198356415.db2.gz MIGFACZWTHEPGO-NVXWUHKLSA-N 1 0 304.434 1.923 10 0 DDAERO CC[C@H]1CN(C(=O)Cc2cccc(F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000174620065 198360691 /nfs/dbraw/zinc/36/06/91/198360691.db2.gz KUGIXRCIILHUTF-CJNGLKHVSA-N 1 0 308.397 1.672 10 0 DDAERO C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCC(Cn3cccn3)CC2)C1 ZINC000130015083 354088051 /nfs/dbraw/zinc/08/80/51/354088051.db2.gz QNXLKMNTTLKFTH-HOTGVXAUSA-N 1 0 319.453 1.787 10 0 DDAERO CCOCCN1CCN(C(=O)CCc2cnn(C)c2C)C[C@H]1C ZINC000135095074 354114543 /nfs/dbraw/zinc/11/45/43/354114543.db2.gz HFZNNKDAAOMQNL-CQSZACIVSA-N 1 0 322.453 1.230 10 0 DDAERO CCC[NH2+]C[C@H](O)COc1ccc(C(=O)NCC)cc1Cl ZINC000196470846 354299113 /nfs/dbraw/zinc/29/91/13/354299113.db2.gz MMZKLJKJQVKGGS-LBPRGKRZSA-N 1 0 314.813 1.829 10 0 DDAERO C[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)C(=O)N1CCCCC1 ZINC000246739931 354361616 /nfs/dbraw/zinc/36/16/16/354361616.db2.gz KLDIVJSYVZYEBW-KKUMJFAQSA-N 1 0 322.453 1.266 10 0 DDAERO 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1.926 10 0 DDAERO CC(=O)Nc1ccc(NC(=O)C2C[NH2+]C2)c(C(F)(F)F)c1 ZINC000091409000 193051909 /nfs/dbraw/zinc/05/19/09/193051909.db2.gz PSTXEYFIELUMAF-UHFFFAOYSA-N 1 0 301.268 1.822 10 0 DDAERO COCC[NH2+]C[C@@H](O)Cc1ccc(F)cc1Br ZINC000091469870 193060190 /nfs/dbraw/zinc/06/01/90/193060190.db2.gz XTIYIAJOJBHABD-NSHDSACASA-N 1 0 306.175 1.728 10 0 DDAERO C[NH2+][C@H](Cc1cccc(Br)c1)[C@H]1CN(C)CCO1 ZINC000091717797 193096876 /nfs/dbraw/zinc/09/68/76/193096876.db2.gz CELLEIPFXCNQGO-ZIAGYGMSSA-N 1 0 313.239 1.910 10 0 DDAERO CCc1nn(CC)c(C[C@@H]([NH3+])[C@@H]2CN(C)CCO2)c1Cl ZINC000091717414 193097481 /nfs/dbraw/zinc/09/74/81/193097481.db2.gz ABLFVFWPBDAWAD-MFKMUULPSA-N 1 0 300.834 1.319 10 0 DDAERO C[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000091752051 193102246 /nfs/dbraw/zinc/10/22/46/193102246.db2.gz XSJBVTNHIYVUGK-SBMIAAHKSA-N 1 0 314.842 1.499 10 0 DDAERO CCC[NH2+]C1CCC(N(C)S(=O)(=O)CCCOC)CC1 ZINC000091869869 193121219 /nfs/dbraw/zinc/12/12/19/193121219.db2.gz 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ZINC000261933505 203157912 /nfs/dbraw/zinc/15/79/12/203157912.db2.gz LZUHNMIQMSQSJT-OLZOCXBDSA-N 1 0 302.353 1.809 10 0 DDAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCc3sccc3C2)cn1 ZINC000261919686 203151762 /nfs/dbraw/zinc/15/17/62/203151762.db2.gz KEKFSFAKSAPPLY-KGLIPLIRSA-N 1 0 316.430 1.370 10 0 DDAERO O=C([C@H]1CCCN1Cc1cc(Cl)cs1)N1CC[NH2+]CC1 ZINC000093096132 193203510 /nfs/dbraw/zinc/20/35/10/193203510.db2.gz POORLWVNBBTMIR-CYBMUJFWSA-N 1 0 313.854 1.798 10 0 DDAERO O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)C1CC[NH2+]CC1 ZINC000262138419 203208422 /nfs/dbraw/zinc/20/84/22/203208422.db2.gz OLZIGBIDXVDECO-CQSZACIVSA-N 1 0 301.390 1.187 10 0 DDAERO Cc1cc(Br)ccc1CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262503701 203311533 /nfs/dbraw/zinc/31/15/33/203311533.db2.gz KZKNRXPYIVXEAC-RYUDHWBXSA-N 1 0 313.195 1.097 10 0 DDAERO CCC[C@H]([NH3+])C(=O)N1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000262465524 203301716 /nfs/dbraw/zinc/30/17/16/203301716.db2.gz LYDOHYPNJQZKHF-AVGNSLFASA-N 1 0 312.435 1.526 10 0 DDAERO CC(C)[N@@H+]1CC[C@H](CNc2ccc(S(N)(=O)=O)c(N)c2)C1 ZINC000093198890 193215890 /nfs/dbraw/zinc/21/58/90/193215890.db2.gz MQBPKSATPSMDOU-LLVKDONJSA-N 1 0 312.439 1.058 10 0 DDAERO CCC(CC)N(CC(C)C)C(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000093310737 193227820 /nfs/dbraw/zinc/22/78/20/193227820.db2.gz FHLWMWJGGOVQMH-CYBMUJFWSA-N 1 0 306.472 1.422 10 0 DDAERO CCOC(OCC)[C@H]([NH3+])Cc1c(Br)c(C)nn1C ZINC000093306619 193227091 /nfs/dbraw/zinc/22/70/91/193227091.db2.gz UXCXAMAFPJWWTC-SECBINFHSA-N 1 0 320.231 1.760 10 0 DDAERO C[NH+]1CCN(CCNc2ncc(N)cc2Br)CC1 ZINC000093432775 193250162 /nfs/dbraw/zinc/25/01/62/193250162.db2.gz ASZNUFPNTVIAQN-UHFFFAOYSA-N 1 0 314.231 1.086 10 0 DDAERO CC(C)(C[NH2+]CC(=O)NC1CCCCCC1)S(C)(=O)=O ZINC000093519729 193263148 /nfs/dbraw/zinc/26/31/48/193263148.db2.gz FWUHYIAAMSTPQL-UHFFFAOYSA-N 1 0 304.456 1.238 10 0 DDAERO CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1CC(C)(C)S(C)(=O)=O ZINC000093525875 193263562 /nfs/dbraw/zinc/26/35/62/193263562.db2.gz JLRJUWHTERMXIK-QWHCGFSZSA-N 1 0 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CCC(CC)[N@H+](CCN)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701947 193294888 /nfs/dbraw/zinc/29/48/88/193294888.db2.gz AVESHMPBSACGHP-ZDUSSCGKSA-N 1 0 305.488 1.107 10 0 DDAERO CC(C)C[NH2+]C[C@](C)(O)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702897 193295628 /nfs/dbraw/zinc/29/56/28/193295628.db2.gz YAZKRRHVJBOTNP-UONOGXRCSA-N 1 0 306.472 1.045 10 0 DDAERO CN[C@@]1(C(N)=O)CCC[C@@H]([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000093756699 193301246 /nfs/dbraw/zinc/30/12/46/193301246.db2.gz MRDVPRWHWRUFCH-YPMHNXCESA-N 1 0 307.360 1.647 10 0 DDAERO CCCCOCCO[C@H]1CCC[C@@]([NH2+]C(C)C)(C(N)=O)C1 ZINC000093761715 193301777 /nfs/dbraw/zinc/30/17/77/193301777.db2.gz BECOJYPUEIISRL-HOCLYGCPSA-N 1 0 300.443 1.984 10 0 DDAERO COC(=O)[C@]1([NH3+])CCC[C@H](Sc2n[nH]c(=O)n2C(C)C)C1 ZINC000093779647 193306120 /nfs/dbraw/zinc/30/61/20/193306120.db2.gz AVFJSLDMCQBCGH-ZANVPECISA-N 1 0 314.411 1.058 10 0 DDAERO CC[NH2+][C@@]1(CO)CCC[C@@H](Sc2nnc(N(C)C)s2)C1 ZINC000093786008 193307695 /nfs/dbraw/zinc/30/76/95/193307695.db2.gz 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ZINC000093859639 193319913 /nfs/dbraw/zinc/31/99/13/193319913.db2.gz RTVQVJHQFNXHQY-DZGCQCFKSA-N 1 0 313.419 1.362 10 0 DDAERO Cc1cc(S(=O)(=O)N(C)CC2CC[NH2+]CC2)c(C)s1 ZINC000094023791 193339076 /nfs/dbraw/zinc/33/90/76/193339076.db2.gz ZKKSCTVAXCQBCQ-UHFFFAOYSA-N 1 0 302.465 1.985 10 0 DDAERO Cc1nn(C)c(C[C@@H]([NH3+])[C@@H]2CN(C(C)C)CCO2)c1Cl ZINC000093926098 193328023 /nfs/dbraw/zinc/32/80/23/193328023.db2.gz RPTRSPWJQNSBAT-YPMHNXCESA-N 1 0 300.834 1.361 10 0 DDAERO CN(CCS(C)(=O)=O)[C@H](C[NH3+])c1ccc(Cl)c(F)c1 ZINC000094297689 193356988 /nfs/dbraw/zinc/35/69/88/193356988.db2.gz RLVNRAMLPLXJLI-GFCCVEGCSA-N 1 0 308.806 1.455 10 0 DDAERO CC1(C)CC[C@H](S(=O)(=O)c2ccc3c(c2)OCCO3)[C@@H]1[NH3+] ZINC000094311225 193358746 /nfs/dbraw/zinc/35/87/46/193358746.db2.gz FHPYJTYILFGIHZ-KBPBESRZSA-N 1 0 311.403 1.747 10 0 DDAERO CCC[NH2+]Cc1c(C)cc(C)nc1N(C)CCS(C)(=O)=O ZINC000094300721 193358857 /nfs/dbraw/zinc/35/88/57/193358857.db2.gz VLZITAWXAMQXOS-UHFFFAOYSA-N 1 0 313.467 1.679 10 0 DDAERO CC(C)[N@H+](C)CCNc1nc(C(F)(F)F)ccc1C(N)=O ZINC000094335270 193360208 /nfs/dbraw/zinc/36/02/08/193360208.db2.gz OYJJRZUEBFFADN-UHFFFAOYSA-N 1 0 304.316 1.951 10 0 DDAERO C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C(N)=O)[C@@H](C)C[NH2+]1 ZINC000094337513 193360909 /nfs/dbraw/zinc/36/09/09/193360909.db2.gz KMWJJQWVYTUPMO-SFYZADRCSA-N 1 0 302.300 1.386 10 0 DDAERO C[NH2+]Cc1cc(F)c(OCC(=O)NCC(F)(F)F)c(F)c1 ZINC000094346452 193363625 /nfs/dbraw/zinc/36/36/25/193363625.db2.gz RJOBAUAUYQVSDY-UHFFFAOYSA-N 1 0 312.238 1.742 10 0 DDAERO COCCCNC(=O)[C@H](C)Oc1c(F)cc(C[NH3+])cc1F ZINC000094345963 193363751 /nfs/dbraw/zinc/36/37/51/193363751.db2.gz FHTNNCSFJHNCRV-VIFPVBQESA-N 1 0 302.321 1.344 10 0 DDAERO [NH3+]CCCOC1CCN(c2ncncc2Br)CC1 ZINC000094073053 193343235 /nfs/dbraw/zinc/34/32/35/193343235.db2.gz GEOUUSCMHCUXQK-UHFFFAOYSA-N 1 0 315.215 1.573 10 0 DDAERO CCN(CCC[NH2+][C@@H]1CCc2cc(N)ccc21)S(C)(=O)=O ZINC000094087953 193344959 /nfs/dbraw/zinc/34/49/59/193344959.db2.gz IQVBKDYEUOEKEC-OAHLLOKOSA-N 1 0 311.451 1.517 10 0 DDAERO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CNC(=O)C1 ZINC000094122957 193346194 /nfs/dbraw/zinc/34/61/94/193346194.db2.gz ZJAAPUVGDSWXGO-AWEZNQCLSA-N 1 0 301.390 1.400 10 0 DDAERO CCC[NH2+]Cc1ccc(OCC(=O)NCC(F)(F)F)cn1 ZINC000094209874 193349714 /nfs/dbraw/zinc/34/97/14/193349714.db2.gz NWKHHEKMQVQIOV-UHFFFAOYSA-N 1 0 305.300 1.639 10 0 DDAERO C[NH+](C)[C@@H](CNC(=O)[C@@](C)(N)C(F)(F)F)c1ccccc1 ZINC000094236465 193353679 /nfs/dbraw/zinc/35/36/79/193353679.db2.gz JMTZFQSDJZXNLN-WCQYABFASA-N 1 0 303.328 1.685 10 0 DDAERO C[NH+](C)Cc1ccccc1CNC(=O)[C@@](C)(N)C(F)(F)F ZINC000094237001 193353917 /nfs/dbraw/zinc/35/39/17/193353917.db2.gz VQPIIRICUKGDGQ-CYBMUJFWSA-N 1 0 303.328 1.644 10 0 DDAERO CCC([NH3+])(CC)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000094245214 193354830 /nfs/dbraw/zinc/35/48/30/193354830.db2.gz RKNXFDBGQGEFJK-LLVKDONJSA-N 1 0 312.435 1.785 10 0 DDAERO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)cc1N ZINC000094639078 193387745 /nfs/dbraw/zinc/38/77/45/193387745.db2.gz KWNDKCJMDNSFOI-SNVBAGLBSA-N 1 0 317.842 1.555 10 0 DDAERO CC(C)[NH2+]Cc1ncnn1[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094644060 193389395 /nfs/dbraw/zinc/38/93/95/193389395.db2.gz YUQIKYGANYUZBS-NWDGAFQWSA-N 1 0 300.428 1.304 10 0 DDAERO CC[NH2+]C1CCC(O)([C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094645063 193389868 /nfs/dbraw/zinc/38/98/68/193389868.db2.gz BETCHRRCYJPKFQ-JLVJUDLZSA-N 1 0 303.468 1.873 10 0 DDAERO CCCn1cc(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+][C@@H]2C)nc1C ZINC000094665868 193390404 /nfs/dbraw/zinc/39/04/04/193390404.db2.gz LPXKQYNURGQOFP-NQBHXWOUSA-N 1 0 314.455 1.409 10 0 DDAERO CC(C)(C[NH2+][C@H]1CCOC2(CCOCC2)C1)S(C)(=O)=O ZINC000094375087 193366882 /nfs/dbraw/zinc/36/68/82/193366882.db2.gz XLDRDHSRFUOHPB-LBPRGKRZSA-N 1 0 305.440 1.127 10 0 DDAERO CCC[NH2+][C@@H](C(OC)OC)[C@H]1CCOC2(CCOCC2)C1 ZINC000094407956 193367617 /nfs/dbraw/zinc/36/76/17/193367617.db2.gz SQGWHELVGGKXAQ-UONOGXRCSA-N 1 0 301.427 1.949 10 0 DDAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1nc2sccn2c1CO ZINC000094446425 193371672 /nfs/dbraw/zinc/37/16/72/193371672.db2.gz OWDVQTFFNMFRJW-NWDGAFQWSA-N 1 0 306.435 1.951 10 0 DDAERO [NH3+][C@H](Cc1cc(Br)cs1)[C@H]1CN2CCN1CC2 ZINC000094508089 193375081 /nfs/dbraw/zinc/37/50/81/193375081.db2.gz VDSPKAORXNGHJS-VXGBXAGGSA-N 1 0 316.268 1.380 10 0 DDAERO [NH3+][C@@H](c1cc(Br)ccc1F)[C@@H]1CN2CCN1CC2 ZINC000094508885 193375135 /nfs/dbraw/zinc/37/51/35/193375135.db2.gz AJHFPKIDKTURDL-STQMWFEESA-N 1 0 314.202 1.588 10 0 DDAERO C[NH2+][C@H](c1cscc1Br)[C@H]1CN2CCN1CC2 ZINC000094509052 193375529 /nfs/dbraw/zinc/37/55/29/193375529.db2.gz NVUXZNKOJUFAKN-VXGBXAGGSA-N 1 0 316.268 1.771 10 0 DDAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)Nc2ccc3c(c2)NC(=O)CS3)O1 ZINC000094566705 193380491 /nfs/dbraw/zinc/38/04/91/193380491.db2.gz BMDKKKOFNOBKBE-ONGXEEELSA-N 1 0 307.375 1.176 10 0 DDAERO C[NH2+]C[C@@H]1CCCN(c2nc3ccc(Br)cn3n2)C1 ZINC000094607551 193384551 /nfs/dbraw/zinc/38/45/51/193384551.db2.gz GAGPSZUWEVEATD-JTQLQIEISA-N 1 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/nfs/dbraw/zinc/08/41/20/183084120.db2.gz QPWPUWOPRJNSQM-CQSZACIVSA-N 1 0 311.451 1.881 10 0 DDAERO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCc3sccc3[C@@H]2C2CC2)C1 ZINC000040634960 183112553 /nfs/dbraw/zinc/11/25/53/183112553.db2.gz VKJWBUVHHLCXST-KYOSRNDESA-N 1 0 306.431 1.961 10 0 DDAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2ccc(Br)s2)C1 ZINC000040636715 183113753 /nfs/dbraw/zinc/11/37/53/183113753.db2.gz OSZMULOCRBVYNU-VXNVDRBHSA-N 1 0 319.224 1.504 10 0 DDAERO CS(=O)(=O)Nc1cccc(NC(=O)C2CCC([NH3+])CC2)c1 ZINC000040831740 183139462 /nfs/dbraw/zinc/13/94/62/183139462.db2.gz BFPFRSCXLNVQMC-UHFFFAOYSA-N 1 0 311.407 1.514 10 0 DDAERO CN(C)Nc1[nH+]cnc(Nc2ccc3c(c2)OCCO3)c1N ZINC000040759924 183130589 /nfs/dbraw/zinc/13/05/89/183130589.db2.gz JJQDGXJNPONKDA-UHFFFAOYSA-N 1 0 302.338 1.462 10 0 DDAERO COCC[NH+]1[C@@H](C)CN(C(=O)NCc2ccccc2)C[C@@H]1C ZINC000041313604 183185072 /nfs/dbraw/zinc/18/50/72/183185072.db2.gz RSYUOIOUNIAJJZ-GJZGRUSLSA-N 1 0 305.422 1.937 10 0 DDAERO C[C@@H]1CN(C(=O)NCc2ccccc2)C[C@H](C)N1CC[NH+](C)C ZINC000041313754 183185251 /nfs/dbraw/zinc/18/52/51/183185251.db2.gz DZYPBRPRRREUKN-IYBDPMFKSA-N 1 0 318.465 1.852 10 0 DDAERO C[NH2+][C@H](C)c1ccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000041710130 183218348 /nfs/dbraw/zinc/21/83/48/183218348.db2.gz HHSIKWLLZKOYCQ-MFKMUULPSA-N 1 0 311.407 1.276 10 0 DDAERO CCCN(CC[NH+](C)C)S(=O)(=O)c1cnc(Cl)nc1 ZINC000041679106 183215831 /nfs/dbraw/zinc/21/58/31/183215831.db2.gz VHGKFZITGVRVIG-UHFFFAOYSA-N 1 0 306.819 1.092 10 0 DDAERO CCNC(=O)[C@@H](C)Oc1c(Br)cccc1C[NH3+] ZINC000042411328 183265002 /nfs/dbraw/zinc/26/50/02/183265002.db2.gz QERWAAMPMAJNKM-MRVPVSSYSA-N 1 0 301.184 1.811 10 0 DDAERO CCCO[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH3+])s2)C1 ZINC000042425702 183268318 /nfs/dbraw/zinc/26/83/18/183268318.db2.gz GLDKVUWCPJKJHJ-LLVKDONJSA-N 1 0 318.464 1.787 10 0 DDAERO C[NH2+]Cc1c(N(CC(N)=O)C2CCCC2)nc2sccn12 ZINC000042438410 183270295 /nfs/dbraw/zinc/27/02/95/183270295.db2.gz MYDMVIFSCIIBSK-UHFFFAOYSA-N 1 0 307.423 1.350 10 0 DDAERO CCN(C[C@H](C)C[NH3+])c1ccccc1S(=O)(=O)NC(C)C ZINC000042442512 183271203 /nfs/dbraw/zinc/27/12/03/183271203.db2.gz NWDUHFOFINJEBC-CYBMUJFWSA-N 1 0 313.467 1.794 10 0 DDAERO C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)CC(N)=O ZINC000043020453 183328686 /nfs/dbraw/zinc/32/86/86/183328686.db2.gz KERHRJMDRBWYDK-PRHODGIISA-N 1 0 300.200 1.255 10 0 DDAERO CNC(=O)CN(C)[C@@H](c1ccc(Br)s1)[C@@H](C)[NH3+] ZINC000043259857 183348833 /nfs/dbraw/zinc/34/88/33/183348833.db2.gz RVLHJPFJEXTIDR-RDDDGLTNSA-N 1 0 320.256 1.577 10 0 DDAERO Cn1nnnc1S[C@H](C[NH3+])c1cc(Br)cs1 ZINC000043290268 183351682 /nfs/dbraw/zinc/35/16/82/183351682.db2.gz NPWOEHBFRNRHKD-SSDOTTSWSA-N 1 0 320.241 1.826 10 0 DDAERO [NH3+]Cc1cccc(CS(=O)(=O)N2CCO[C@H]3CCC[C@@H]32)c1 ZINC000043426896 183361656 /nfs/dbraw/zinc/36/16/56/183361656.db2.gz GKHYABHRWNNEPC-GJZGRUSLSA-N 1 0 310.419 1.228 10 0 DDAERO Cc1cc(C)c(CNC(=O)NC[C@H]2CN(C)CCO2)c(C)c1 ZINC000104793072 194040439 /nfs/dbraw/zinc/04/04/39/194040439.db2.gz JXJQMSDNUATEJB-HNNXBMFYSA-N 1 0 305.422 1.742 10 0 DDAERO O=C(NCCOc1ccccc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105078984 194070531 /nfs/dbraw/zinc/07/05/31/194070531.db2.gz MPYZUHSRAOVPTJ-OAHLLOKOSA-N 1 0 303.406 1.945 10 0 DDAERO CCOc1ccccc1OCC[N@@H+]1CC[C@](O)(c2cn[nH]n2)C1 ZINC000284809724 218186417 /nfs/dbraw/zinc/18/64/17/218186417.db2.gz NGASJJCIUNSHDE-MRXNPFEDSA-N 1 0 318.377 1.176 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2cn3ccccc3n2)C[C@@H]1C ZINC000105834845 194142300 /nfs/dbraw/zinc/14/23/00/194142300.db2.gz JZOWGURPZAHIFJ-HNNXBMFYSA-N 1 0 302.422 1.877 10 0 DDAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)C(=O)N(C)Cc1ccccc1 ZINC000105870768 194151100 /nfs/dbraw/zinc/15/11/00/194151100.db2.gz YHDNTFZKDCNSDT-DZGCQCFKSA-N 1 0 313.405 1.230 10 0 DDAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000105874109 194152527 /nfs/dbraw/zinc/15/25/27/194152527.db2.gz XKBBMIRUUBFRNQ-GXTWGEPZSA-N 1 0 321.469 1.999 10 0 DDAERO COC(=O)c1cc(F)ccc1CN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000105911902 194168063 /nfs/dbraw/zinc/16/80/63/194168063.db2.gz JVBLKZYBTHZLFX-QWHCGFSZSA-N 1 0 324.396 1.499 10 0 DDAERO COCC[N@@H+]1CCN(Cc2noc(-c3ccccc3)n2)C[C@H]1C ZINC000105913809 194168631 /nfs/dbraw/zinc/16/86/31/194168631.db2.gz RUJVVSNGNFGLEC-CQSZACIVSA-N 1 0 316.405 1.889 10 0 DDAERO COCCCCC[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000105911256 194169114 /nfs/dbraw/zinc/16/91/14/194169114.db2.gz PPIASCITBRKEFU-UHFFFAOYSA-N 1 0 304.398 1.063 10 0 DDAERO C[C@H](C(=O)NCc1ccc(F)cc1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105926151 194171894 /nfs/dbraw/zinc/17/18/94/194171894.db2.gz VDVOORFZYFQVEU-CZUORRHYSA-N 1 0 323.412 1.093 10 0 DDAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)Nc1ccccc1Cl ZINC000105932723 194173681 /nfs/dbraw/zinc/17/36/81/194173681.db2.gz MBVDGMFTDILAEU-NEPJUHHUSA-N 1 0 311.813 1.587 10 0 DDAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)N1CCc2sccc2C1 ZINC000049632156 183749652 /nfs/dbraw/zinc/74/96/52/183749652.db2.gz GLLXCRMJZQDDNH-NSHDSACASA-N 1 0 300.449 1.436 10 0 DDAERO CC[C@H](C[NH3+])N1CCN(c2ncccc2Br)CC1 ZINC000109454961 194264417 /nfs/dbraw/zinc/26/44/17/194264417.db2.gz BKOFFXYZNLIGCP-LLVKDONJSA-N 1 0 313.243 1.703 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN(C(=O)[C@H]2CCCOC2)CC1 ZINC000109465024 194265723 /nfs/dbraw/zinc/26/57/23/194265723.db2.gz RTOSGVVNIVCYPM-QWHCGFSZSA-N 1 0 313.467 1.012 10 0 DDAERO CN(C)S(=O)(=O)c1ccccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000051918597 183842618 /nfs/dbraw/zinc/84/26/18/183842618.db2.gz SCNJLCWIGWMFSB-ZDUSSCGKSA-N 1 0 312.435 1.705 10 0 DDAERO CC[NH2+][C@@H](CCN1CCS(=O)(=O)CC1)c1ccccc1C ZINC000054018146 183920251 /nfs/dbraw/zinc/92/02/51/183920251.db2.gz OOXZGLKFUBWMLD-INIZCTEOSA-N 1 0 310.463 1.766 10 0 DDAERO [NH3+]CCN1CCC(NC(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000110826806 194362406 /nfs/dbraw/zinc/36/24/06/194362406.db2.gz YYILUMIGZIISLG-UHFFFAOYSA-N 1 0 301.312 1.257 10 0 DDAERO CCn1cnnc1[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000110753742 194356959 /nfs/dbraw/zinc/35/69/59/194356959.db2.gz UMNBHWUROMKERW-CABCVRRESA-N 1 0 319.453 1.878 10 0 DDAERO CCCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000110942310 194372164 /nfs/dbraw/zinc/37/21/64/194372164.db2.gz KZCNIBQTOWWDJS-QLFBSQMISA-N 1 0 317.499 1.673 10 0 DDAERO CS(=O)(=O)CCSCCOc1ccc(C(N)=[NH2+])cc1 ZINC000111005030 194381170 /nfs/dbraw/zinc/38/11/70/194381170.db2.gz XBYWRCLODBZWQL-UHFFFAOYSA-N 1 0 302.421 1.127 10 0 DDAERO O=C1CC[C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)CN1 ZINC000111019976 194384791 /nfs/dbraw/zinc/38/47/91/194384791.db2.gz QOPSKBLMUHAQCW-RYUDHWBXSA-N 1 0 313.195 1.351 10 0 DDAERO Cc1cnn(CCNC(=O)[C@H]([NH3+])[C@H](C)OCc2ccccc2)c1 ZINC000638278447 422799370 /nfs/dbraw/zinc/79/93/70/422799370.db2.gz QZTJKNXHVPYTNZ-GOEBONIOSA-N 1 0 316.405 1.240 10 0 DDAERO [NH3+]CCc1ccc(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000111095953 194391451 /nfs/dbraw/zinc/39/14/51/194391451.db2.gz RUHFNDIIDUCFKH-RRFJBIMHSA-N 1 0 308.447 1.902 10 0 DDAERO C[C@H](O)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2[N@@H+](C)C1 ZINC000059304588 184136723 /nfs/dbraw/zinc/13/67/23/184136723.db2.gz WYTJZJPVCDWOOI-KANYHAFZSA-N 1 0 311.385 1.492 10 0 DDAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000061232103 184166915 /nfs/dbraw/zinc/16/69/15/184166915.db2.gz WNUZFTZOFZIRGS-SECBINFHSA-N 1 0 308.773 1.500 10 0 DDAERO CSc1ccc([C@@H](C)NC(=O)CN2CCC[NH2+]CC2)cc1 ZINC000061270635 184167017 /nfs/dbraw/zinc/16/70/17/184167017.db2.gz BWTBITCHAKBMAF-CYBMUJFWSA-N 1 0 307.463 1.881 10 0 DDAERO C[C@H](Cc1ccccc1Cl)NC(=O)CN1CCC[NH2+]CC1 ZINC000061270290 184167184 /nfs/dbraw/zinc/16/71/84/184167184.db2.gz MOGSDXGZSGOPGR-CYBMUJFWSA-N 1 0 309.841 1.683 10 0 DDAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C1CC1)c1cccnc1 ZINC000061594730 184175910 /nfs/dbraw/zinc/17/59/10/184175910.db2.gz QIFUVTSCXDDXRE-NWDGAFQWSA-N 1 0 305.407 1.872 10 0 DDAERO COc1ccccc1[C@H](C[NH3+])Sc1n[nH]c(=O)n1C(C)C ZINC000061595069 184176688 /nfs/dbraw/zinc/17/66/88/184176688.db2.gz DINBDDVWNLDPGU-LBPRGKRZSA-N 1 0 308.407 1.953 10 0 DDAERO COCCN(C(=O)[C@H](C[NH3+])c1ccccc1)[C@@H]1CCSC1 ZINC000061612048 184178589 /nfs/dbraw/zinc/17/85/89/184178589.db2.gz CHDOVOVFKSQZMR-HUUCEWRRSA-N 1 0 308.447 1.709 10 0 DDAERO NNc1ccc(Cl)c(Cn2c(=O)cnc3ccccc32)[nH+]1 ZINC000061639227 184179991 /nfs/dbraw/zinc/17/99/91/184179991.db2.gz GIDVPDWVISGXIA-UHFFFAOYSA-N 1 0 301.737 1.779 10 0 DDAERO O=S(=O)(NCCC[NH+]1CCCC1)c1ccc2c(c1)CCN2 ZINC000062072967 184204467 /nfs/dbraw/zinc/20/44/67/184204467.db2.gz FLFUVGZHZYFSNT-UHFFFAOYSA-N 1 0 309.435 1.419 10 0 DDAERO CC(C)(C)[C@H]1CC[C@H]([NH3+])[C@H](N2CCN(S(C)(=O)=O)CC2)C1 ZINC000062083694 184204974 /nfs/dbraw/zinc/20/49/74/184204974.db2.gz QTVQEHJEQGDGTI-MELADBBJSA-N 1 0 317.499 1.106 10 0 DDAERO C[C@H]1CC(C)(C)C[C@@](C[NH3+])(N2CCN(S(C)(=O)=O)CC2)C1 ZINC000062082484 184205013 /nfs/dbraw/zinc/20/50/13/184205013.db2.gz RMSUWOMHMLBUNU-ZFWWWQNUSA-N 1 0 317.499 1.107 10 0 DDAERO CCC[NH2+][C@@H]1CCCC[C@@H]1CN1CCN(S(C)(=O)=O)CC1 ZINC000062096401 184205766 /nfs/dbraw/zinc/20/57/66/184205766.db2.gz IWZORHFNPFTHBL-HUUCEWRRSA-N 1 0 317.499 1.122 10 0 DDAERO O=C(Nc1ccccc1S(=O)(=O)C(F)F)[C@@H]1CC[NH2+]C1 ZINC000062114039 184206324 /nfs/dbraw/zinc/20/63/24/184206324.db2.gz DRRQHLCYYXILME-MRVPVSSYSA-N 1 0 304.318 1.231 10 0 DDAERO CCNS(=O)(=O)NC[C@@H](c1cccs1)[NH+](CC)CC ZINC000062359548 184232966 /nfs/dbraw/zinc/23/29/66/184232966.db2.gz YMFDOHYVEQNWJY-NSHDSACASA-N 1 0 305.469 1.575 10 0 DDAERO CC[C@@]1(C(=O)Nc2ccccc2SCC(N)=O)CC[NH2+]C1 ZINC000062893048 184258421 /nfs/dbraw/zinc/25/84/21/184258421.db2.gz PORPOVBDYRKFGI-OAHLLOKOSA-N 1 0 307.419 1.592 10 0 DDAERO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2c(N)cccc2Cl)C1 ZINC000062965434 184262734 /nfs/dbraw/zinc/26/27/34/184262734.db2.gz OHTMKQIUXZBNDR-VIFPVBQESA-N 1 0 303.815 1.247 10 0 DDAERO CN(Cc1ccccc1Cl)[C@@]1(C[NH3+])CCS(=O)(=O)C1 ZINC000062962539 184263095 /nfs/dbraw/zinc/26/30/95/184263095.db2.gz VXBIDQIYRJYTJE-CYBMUJFWSA-N 1 0 302.827 1.288 10 0 DDAERO Cc1ccc(C[NH2+]CCN2CC[C@@H](N3CCOCC3)C2)s1 ZINC000062974954 184263523 /nfs/dbraw/zinc/26/35/23/184263523.db2.gz GARXTSHJTCTRMI-OAHLLOKOSA-N 1 0 309.479 1.553 10 0 DDAERO CCOc1cccc(CC[NH3+])c1OCCCS(C)(=O)=O ZINC000063017520 184267112 /nfs/dbraw/zinc/26/71/12/184267112.db2.gz VIHNWMTXZPDAJO-UHFFFAOYSA-N 1 0 301.408 1.400 10 0 DDAERO CCOc1cccc(C[C@H](C)[NH3+])c1OCCCS(C)(=O)=O ZINC000063017570 184267586 /nfs/dbraw/zinc/26/75/86/184267586.db2.gz VWVKLNQRPVXYTE-LBPRGKRZSA-N 1 0 315.435 1.789 10 0 DDAERO Cc1ccnc(SCc2nc3c(cnn3C)c(NN)[nH+]2)n1 ZINC000063084372 184269834 /nfs/dbraw/zinc/26/98/34/184269834.db2.gz WGMPWEPQVSIUCS-UHFFFAOYSA-N 1 0 302.367 1.040 10 0 DDAERO Nc1nc(C(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)cs1 ZINC000063527831 184284814 /nfs/dbraw/zinc/28/48/14/184284814.db2.gz XPAKWMLPIZEVOE-JTQLQIEISA-N 1 0 310.423 1.004 10 0 DDAERO C[C@@H]([NH2+]CC(=O)Nc1cnccn1)c1ccccc1-n1cccn1 ZINC000065398714 184336579 /nfs/dbraw/zinc/33/65/79/184336579.db2.gz GJAWBMICLYCJAQ-CYBMUJFWSA-N 1 0 322.372 1.952 10 0 DDAERO CSCC[C@H]([NH3+])C(=O)NCC[S@@](=O)Cc1ccccc1 ZINC000159515650 197360082 /nfs/dbraw/zinc/36/00/82/197360082.db2.gz CXIRNRURWIRODJ-RBZFPXEDSA-N 1 0 314.476 1.132 10 0 DDAERO CC(C)[C@H](O)CC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000158840153 197305812 /nfs/dbraw/zinc/30/58/12/197305812.db2.gz NJRNRYABBZROMS-MRXNPFEDSA-N 1 0 308.422 1.650 10 0 DDAERO COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H](C)[NH3+] ZINC000157322730 197179369 /nfs/dbraw/zinc/17/93/69/197179369.db2.gz HOBGUGHRVDZCFE-SECBINFHSA-N 1 0 300.305 1.204 10 0 DDAERO Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000154053856 196934541 /nfs/dbraw/zinc/93/45/41/196934541.db2.gz YYGYEZPREPPCJN-HIFRSBDPSA-N 1 0 319.405 1.042 10 0 DDAERO CC[C@@H]1CN(Cc2ccc(OC)c(OC)c2)CC[N@@H+]1C[C@@H](C)O ZINC000120738854 195228101 /nfs/dbraw/zinc/22/81/01/195228101.db2.gz OPGYYFGTARABJH-GDBMZVCRSA-N 1 0 322.449 1.981 10 0 DDAERO CC[NH+](CC)CCNC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000152776447 196821969 /nfs/dbraw/zinc/82/19/69/196821969.db2.gz WBLGEUJPGRJQCU-UHFFFAOYSA-N 1 0 320.441 1.404 10 0 DDAERO Cn1cc(C[C@@H]2[C@H](O)CC[N@@H+]2Cc2ccc3c(c2)OCO3)cn1 ZINC000248159616 257107990 /nfs/dbraw/zinc/10/79/90/257107990.db2.gz WXNWFBGULIQLQC-HUUCEWRRSA-N 1 0 315.373 1.327 10 0 DDAERO O=C1CCCN1[C@H]1CCO[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC000247954864 257114169 /nfs/dbraw/zinc/11/41/69/257114169.db2.gz MPQQIGGBFKQMKR-WMZOPIPTSA-N 1 0 315.417 1.828 10 0 DDAERO O=C(c1ccccn1)N1C[C@H]2COC[C@@]2(C[NH+]2CCCCC2)C1 ZINC000247793369 257118270 /nfs/dbraw/zinc/11/82/70/257118270.db2.gz BDNKEXKVBKVKKX-MAUKXSAKSA-N 1 0 315.417 1.656 10 0 DDAERO C[N@@H+]1CCO[C@H]2CN(C(=O)NCc3ccccc3)CC[C@@H]2C1 ZINC000299842478 257103886 /nfs/dbraw/zinc/10/38/86/257103886.db2.gz GVCWUZOHJPDUCJ-CVEARBPZSA-N 1 0 303.406 1.549 10 0 DDAERO c1ccc(C[NH2+]C[C@@H]2Cn3nnc(-c4ccncc4)c3CO2)nc1 ZINC000096069356 257135266 /nfs/dbraw/zinc/13/52/66/257135266.db2.gz SDTPWBWJQVPKKM-OAHLLOKOSA-N 1 0 322.372 1.424 10 0 DDAERO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(F)cn1)C2 ZINC000503718402 257208628 /nfs/dbraw/zinc/20/86/28/257208628.db2.gz TYBVHCXAUGRMID-PBHICJAKSA-N 1 0 320.412 1.800 10 0 DDAERO Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1F ZINC000113305566 292180313 /nfs/dbraw/zinc/18/03/13/292180313.db2.gz ATQANGXWUHREGG-QWHCGFSZSA-N 1 0 312.410 1.991 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)C12CCOCC2 ZINC000248908200 286292729 /nfs/dbraw/zinc/29/27/29/286292729.db2.gz BOAZWGRTYNETTL-RRFJBIMHSA-N 1 0 324.465 1.950 10 0 DDAERO Brc1ccc(-n2nncc2CN2CC[NH2+]CC2)cc1 ZINC000070460986 406819051 /nfs/dbraw/zinc/81/90/51/406819051.db2.gz CSSSTZYGUFEZOW-UHFFFAOYSA-N 1 0 322.210 1.435 10 0 DDAERO CC(=O)N[C@H]1CCC[N@H+](CCOCCOc2ccccc2)C1 ZINC000076709573 406972528 /nfs/dbraw/zinc/97/25/28/406972528.db2.gz VSTWSZTXQOMPNR-INIZCTEOSA-N 1 0 306.406 1.683 10 0 DDAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C(=O)NC(=O)NC1CC1 ZINC000078245766 407021963 /nfs/dbraw/zinc/02/19/63/407021963.db2.gz WCAIIKDAHQVUTB-DTWKUNHWSA-N 1 0 311.332 1.992 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000078614902 407036441 /nfs/dbraw/zinc/03/64/41/407036441.db2.gz PYDRSDVSAQMCLX-CYBMUJFWSA-N 1 0 319.405 1.724 10 0 DDAERO CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCC[NH+](C)C ZINC000045164926 407041125 /nfs/dbraw/zinc/04/11/25/407041125.db2.gz RFJDBXNCKLCPTJ-HIFRSBDPSA-N 1 0 305.422 1.509 10 0 DDAERO CCOCCNC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000084696379 407093177 /nfs/dbraw/zinc/09/31/77/407093177.db2.gz SPMVHOUNTZFJSA-SJORKVTESA-N 1 0 320.433 1.727 10 0 DDAERO Cc1cncc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000079879576 407064731 /nfs/dbraw/zinc/06/47/31/407064731.db2.gz KLEAVRORILHRJK-AWEZNQCLSA-N 1 0 306.410 1.421 10 0 DDAERO CC[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cnn(C)c1 ZINC000089733254 407145088 /nfs/dbraw/zinc/14/50/88/407145088.db2.gz OCMVFUGVXHALBD-LSDHHAIUSA-N 1 0 300.410 1.920 10 0 DDAERO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000089732114 407145640 /nfs/dbraw/zinc/14/56/40/407145640.db2.gz 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301.188 1.436 10 0 DDAERO c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc2c1OCO2 ZINC000262041182 407720463 /nfs/dbraw/zinc/72/04/63/407720463.db2.gz YOSVHIGVQLVDMA-RBSFLKMASA-N 1 0 304.390 1.662 10 0 DDAERO CCNC(=O)CN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000262075771 407730728 /nfs/dbraw/zinc/73/07/28/407730728.db2.gz DGQYBGPIVYTHAG-AWEZNQCLSA-N 1 0 307.463 1.828 10 0 DDAERO CC(C)CC(=O)N[C@H](C(=O)N(C)CC[N@H+](C)C1CC1)C(C)C ZINC000186716457 407753332 /nfs/dbraw/zinc/75/33/32/407753332.db2.gz VLMDAAYRJWDSOM-INIZCTEOSA-N 1 0 311.470 1.726 10 0 DDAERO Cn1cc([C@H]2CC[N@H+](C[C@H](O)COCc3ccco3)C2)cn1 ZINC000116408043 407753818 /nfs/dbraw/zinc/75/38/18/407753818.db2.gz JOLVHVOKJKAQRQ-ZFWWWQNUSA-N 1 0 305.378 1.380 10 0 DDAERO Cn1cc([C@@H]2CC[N@H+](Cc3cc(=O)n4ccccc4n3)C2)cn1 ZINC000116321501 407742880 /nfs/dbraw/zinc/74/28/80/407742880.db2.gz VLDHCXKMCZFKFK-CYBMUJFWSA-N 1 0 309.373 1.418 10 0 DDAERO COC[C@@H]([NH3+])C(=O)NCCOc1ccccc1-c1ccccc1 ZINC000262181665 407758612 /nfs/dbraw/zinc/75/86/12/407758612.db2.gz BPEGVPZNSSUBNI-MRXNPFEDSA-N 1 0 314.385 1.822 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)Cn2ccc3ccccc32)CCO1 ZINC000116790732 407776734 /nfs/dbraw/zinc/77/67/34/407776734.db2.gz SMGGHWONHCEBTN-HNNXBMFYSA-N 1 0 301.390 1.430 10 0 DDAERO COC[C@H]([NH3+])C(=O)NCc1cccc(NC(=O)CC(C)C)c1 ZINC000262269051 407780269 /nfs/dbraw/zinc/78/02/69/407780269.db2.gz KEVLSUJKBDUXCF-AWEZNQCLSA-N 1 0 307.394 1.261 10 0 DDAERO COc1ccc(CCC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1F ZINC000116789844 407777166 /nfs/dbraw/zinc/77/71/66/407777166.db2.gz JWEHBJOKKJQPNQ-CQSZACIVSA-N 1 0 324.396 1.556 10 0 DDAERO CCOc1c(Cl)cc(CNC(=O)[C@H]([NH3+])COC)cc1OC ZINC000262257340 407777188 /nfs/dbraw/zinc/77/71/88/407777188.db2.gz JECXONPBUYWZAR-LLVKDONJSA-N 1 0 316.785 1.337 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(Cl)ccc2F)CCO1 ZINC000116792057 407779354 /nfs/dbraw/zinc/77/93/54/407779354.db2.gz STUMARNXKNVBPK-LLVKDONJSA-N 1 0 300.761 1.882 10 0 DDAERO CCC[C@H](C(=O)Nc1cn(Cc2ccccc2)nn1)[NH+](C)C 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DDAERO CCN(CC)C(=O)[C@@H](C)N1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000262565234 407868396 /nfs/dbraw/zinc/86/83/96/407868396.db2.gz ZYYSDNVHLOVMGX-ZIAGYGMSSA-N 1 0 313.442 1.114 10 0 DDAERO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000262731437 407911042 /nfs/dbraw/zinc/91/10/42/407911042.db2.gz CXYJVSIGWZZDFI-YDHLFZDLSA-N 1 0 318.421 1.925 10 0 DDAERO CCO[C@H]1C[C@H]([N@H+](C)CCCS(N)(=O)=O)C12CCCC2 ZINC000172670290 407845457 /nfs/dbraw/zinc/84/54/57/407845457.db2.gz BPDQJYDKUAHIFS-STQMWFEESA-N 1 0 304.456 1.335 10 0 DDAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000262824995 407947781 /nfs/dbraw/zinc/94/77/81/407947781.db2.gz TWIWUQGMKFEOOZ-RWMBFGLXSA-N 1 0 304.394 1.405 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000174086056 407913836 /nfs/dbraw/zinc/91/38/36/407913836.db2.gz YCBJNJWBRIXPHH-SWLSCSKDSA-N 1 0 314.376 1.387 10 0 DDAERO C[C@]1(C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CCCC[NH2+]1 ZINC000180970807 407940827 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O[C@H]1C[NH2+]C[C@@H]1CNCc1c(Cl)cccc1N1CCCC1 ZINC000263191637 408054038 /nfs/dbraw/zinc/05/40/38/408054038.db2.gz HZAJDVVXYMJJAC-LRDDRELGSA-N 1 0 309.841 1.610 10 0 DDAERO COC(=O)c1ccccc1NC(=O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245450757 407985615 /nfs/dbraw/zinc/98/56/15/407985615.db2.gz OXEQNNLNKWLWIA-ZDUSSCGKSA-N 1 0 317.389 1.192 10 0 DDAERO CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H](CNc3ccccn3)C2)C1=O ZINC000245465301 407991734 /nfs/dbraw/zinc/99/17/34/407991734.db2.gz INHROZLJQQOBFF-LSDHHAIUSA-N 1 0 302.422 1.825 10 0 DDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ncn(-c3ccccc3)n2)C1 ZINC000245542899 408011508 /nfs/dbraw/zinc/01/15/08/408011508.db2.gz QHJJCHXASPLJJZ-DZGCQCFKSA-N 1 0 313.405 1.726 10 0 DDAERO CCOCC[N@@H+]1CCN(c2cc(NCC3CC3)ncn2)C[C@H]1C ZINC000245582461 408021530 /nfs/dbraw/zinc/02/15/30/408021530.db2.gz CYHLINUWABWNDW-CQSZACIVSA-N 1 0 319.453 1.846 10 0 DDAERO Cc1ccn(-c2ccc(-c3nc([C@@H]4C[NH2+]CCN4C)no3)cc2)n1 ZINC000263210878 408058348 /nfs/dbraw/zinc/05/83/48/408058348.db2.gz 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C[NH2+][C@@H](CS(=O)(=O)CCOC)c1ccc(OC)c(OC)c1 ZINC000081943657 192343764 /nfs/dbraw/zinc/34/37/64/192343764.db2.gz SQUDHTBBTCCGKJ-LBPRGKRZSA-N 1 0 317.407 1.026 10 0 DDAERO Cc1ccc(C(=O)N2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000082348075 185176853 /nfs/dbraw/zinc/17/68/53/185176853.db2.gz DIMCGZCCFALQNM-UHFFFAOYSA-N 1 0 301.434 1.847 10 0 DDAERO CCC[NH2+][C@H]1CCC(C)(C)C[C@H]1S(=O)(=O)CC(=O)OCC ZINC000081977432 192347411 /nfs/dbraw/zinc/34/74/11/192347411.db2.gz INHOYPNXQUKNMQ-QWHCGFSZSA-N 1 0 319.467 1.911 10 0 DDAERO CCC[C@H](C[NH3+])NS(=O)(=O)c1cc(OC)ccc1OC ZINC000087403923 185223862 /nfs/dbraw/zinc/22/38/62/185223862.db2.gz ALHSHJSTIPGAHN-SNVBAGLBSA-N 1 0 302.396 1.110 10 0 DDAERO CCC[C@H](C[NH3+])NS(=O)(=O)c1cc(OC)c(OC)cc1C ZINC000087403937 185223913 /nfs/dbraw/zinc/22/39/13/185223913.db2.gz FVFABNRUWNZWLK-LLVKDONJSA-N 1 0 316.423 1.418 10 0 DDAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(OCC)c(C)c1 ZINC000087403928 185223955 /nfs/dbraw/zinc/22/39/55/185223955.db2.gz HIUVKXWUFSPPAY-LBPRGKRZSA-N 1 0 300.424 1.799 10 0 DDAERO COC(=O)c1ccc(C)c(S(=O)(=O)N[C@H](C[NH3+])C(C)C)c1 ZINC000087404996 185224130 /nfs/dbraw/zinc/22/41/30/185224130.db2.gz JHUIVYFVZIDQLD-GFCCVEGCSA-N 1 0 314.407 1.043 10 0 DDAERO O=S1(=O)CC[C@@H]([NH2+]CCc2c[nH]cn2)c2cc(F)ccc21 ZINC000087543998 185227837 /nfs/dbraw/zinc/22/78/37/185227837.db2.gz FRLXPWLHUADTLO-CYBMUJFWSA-N 1 0 309.366 1.600 10 0 DDAERO CC(C)(CC[NH3+])CCC(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000087685899 185230466 /nfs/dbraw/zinc/23/04/66/185230466.db2.gz AATRGYDAISQZGX-UHFFFAOYSA-N 1 0 313.423 1.579 10 0 DDAERO CN(CC(=O)NCC(F)(F)F)C(=O)CCC(C)(C)CC[NH3+] ZINC000087696313 185230799 /nfs/dbraw/zinc/23/07/99/185230799.db2.gz XAAVSQBMXOPBLO-UHFFFAOYSA-N 1 0 311.348 1.279 10 0 DDAERO Cc1nnc(S[C@H](C)C(=O)N2CCCCCC2)n1CC[NH3+] ZINC000087711385 185230863 /nfs/dbraw/zinc/23/08/63/185230863.db2.gz XMWBLZYKOSAAAA-LLVKDONJSA-N 1 0 311.455 1.428 10 0 DDAERO Cc1nnc(SCc2cc(C(N)=O)ccc2F)n1CC[NH3+] ZINC000087711351 185230951 /nfs/dbraw/zinc/23/09/51/185230951.db2.gz GCBLAKATPKHAIF-UHFFFAOYSA-N 1 0 309.370 1.076 10 0 DDAERO COc1ccc(Br)cc1[C@H](C[NH3+])NCCCO ZINC000087929826 185237673 /nfs/dbraw/zinc/23/76/73/185237673.db2.gz FPSHTBJCTKQCPB-NSHDSACASA-N 1 0 303.200 1.430 10 0 DDAERO NC[C@]1([NH2+]CCCO)CCc2cc(Br)ccc2C1 ZINC000087929832 185237694 /nfs/dbraw/zinc/23/76/94/185237694.db2.gz DHQGTOZTTIXQGR-AWEZNQCLSA-N 1 0 313.239 1.607 10 0 DDAERO C[C@@H](C[NH3+])S(=O)(=O)Cc1ccc(Br)cc1F ZINC000088068756 185238752 /nfs/dbraw/zinc/23/87/52/185238752.db2.gz AWOCYYKWDMFJPU-ZETCQYMHSA-N 1 0 310.188 1.850 10 0 DDAERO Nc1nc2ccc(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)cc2s1 ZINC000087847549 185233312 /nfs/dbraw/zinc/23/33/12/185233312.db2.gz FUKDCJPVUAPXLB-JTQLQIEISA-N 1 0 302.403 1.845 10 0 DDAERO CC1(C)C[NH2+]CCN1c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000088147085 185240578 /nfs/dbraw/zinc/24/05/78/185240578.db2.gz GOVTXFLWIKMVCS-UHFFFAOYSA-N 1 0 309.435 1.316 10 0 DDAERO CCC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@H](S(=O)(=O)CC(=O)OC)C1 ZINC000081976780 192347936 /nfs/dbraw/zinc/34/79/36/192347936.db2.gz JITIYRYDNNQVMU-GRYCIOLGSA-N 1 0 305.440 1.506 10 0 DDAERO CCC(CC)N1C[C@H](C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1=O ZINC000249866734 282196985 /nfs/dbraw/zinc/19/69/85/282196985.db2.gz ICTIBCIPOXNJAS-ZBFHGGJFSA-N 1 0 321.465 1.720 10 0 DDAERO C[C@@H]1CCC[C@H](CNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000249751997 282194104 /nfs/dbraw/zinc/19/41/04/282194104.db2.gz BFTPSXXKJXYTIT-OWCLPIDISA-N 1 0 311.470 1.959 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)N[C@H](C)c1ccccc1OC)C(C)C ZINC000183676100 539243135 /nfs/dbraw/zinc/24/31/35/539243135.db2.gz FMQORIGGJKGTPO-MLGOLLRUSA-N 1 0 321.421 1.233 10 0 DDAERO CCN(C(=O)C[C@H](C[NH3+])CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000088277108 185244576 /nfs/dbraw/zinc/24/45/76/185244576.db2.gz KAUPKVPZRQTCKG-CHWSQXEVSA-N 1 0 304.456 1.033 10 0 DDAERO C[C@H]([NH2+]CC(=O)NCCCOC1CCCCC1)[C@@H]1CCCO1 ZINC000183124501 539240842 /nfs/dbraw/zinc/24/08/42/539240842.db2.gz SVWJCFDLPCONIN-HOCLYGCPSA-N 1 0 312.454 1.999 10 0 DDAERO COC(=O)CCS(=O)(=O)C[C@@H]([NH3+])c1c(C)cc(C)cc1C ZINC000081974394 192348599 /nfs/dbraw/zinc/34/85/99/192348599.db2.gz NROSKXURRAVYPL-CYBMUJFWSA-N 1 0 313.419 1.590 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)Nc1cc(C)ccc1OC)C(C)C ZINC000183684879 539242855 /nfs/dbraw/zinc/24/28/55/539242855.db2.gz LDLULRCRGZETPE-OAHLLOKOSA-N 1 0 307.394 1.302 10 0 DDAERO CCCOc1ccc([C@H]([NH3+])CS(=O)(=O)CCCOC)cc1 ZINC000081985871 192348735 /nfs/dbraw/zinc/34/87/35/192348735.db2.gz TUJSMHJNECOGQF-OAHLLOKOSA-N 1 0 315.435 1.927 10 0 DDAERO C[NH2+][C@H](CS(=O)(=O)C(C)C)c1ccc(OC)c(OC)c1 ZINC000081980377 192349084 /nfs/dbraw/zinc/34/90/84/192349084.db2.gz SWQXJPFQRCNBIL-GFCCVEGCSA-N 1 0 301.408 1.788 10 0 DDAERO COc1ccc(C[C@@H](C)[NH2+][C@H]2C=CS(=O)(=O)C2)cc1OC ZINC000088853982 185267307 /nfs/dbraw/zinc/26/73/07/185267307.db2.gz ZAODRNBWVBUNKJ-YPMHNXCESA-N 1 0 311.403 1.535 10 0 DDAERO CCCN(CC[NH+](C)C)S(=O)(=O)Cc1cccc(CO)c1 ZINC000088895199 185270183 /nfs/dbraw/zinc/27/01/83/185270183.db2.gz KLIAQARPWQTELL-UHFFFAOYSA-N 1 0 314.451 1.282 10 0 DDAERO CC[NH2+][C@@H](C)[C@H](C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000081990713 192351196 /nfs/dbraw/zinc/35/11/96/192351196.db2.gz DQTSJHPLSRVFSB-QWRGUYRKSA-N 1 0 319.448 1.250 10 0 DDAERO CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1S(=O)(=O)CC(=O)OCC ZINC000082009991 192353216 /nfs/dbraw/zinc/35/32/16/192353216.db2.gz BIUICHCOLBYALO-RDBSUJKOSA-N 1 0 319.467 1.911 10 0 DDAERO CCN(C1C[NH2+]C1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000090291418 185289522 /nfs/dbraw/zinc/28/95/22/185289522.db2.gz KMARUOCBJJCORB-UHFFFAOYSA-N 1 0 309.218 1.976 10 0 DDAERO CCCN(C1C[NH2+]C1)S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000090293296 185290010 /nfs/dbraw/zinc/29/00/10/185290010.db2.gz QHBFCBBSCCJEKZ-UHFFFAOYSA-N 1 0 308.447 1.938 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NC(=O)c1ccc(OC(F)F)cc1 ZINC000090311269 185290437 /nfs/dbraw/zinc/29/04/37/185290437.db2.gz RCEPSSBOIDVSMT-UTUOFQBUSA-N 1 0 300.305 1.523 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1C(=O)c1cncc(Br)c1 ZINC000090335838 185291550 /nfs/dbraw/zinc/29/15/50/185291550.db2.gz PCCNJOIIXGDJGE-JQWIXIFHSA-N 1 0 324.222 1.914 10 0 DDAERO Cn1nccc1[C@H]1[C@H](C[N@H+](C)CCn2cccn2)CCCN1C ZINC000286597023 219073587 /nfs/dbraw/zinc/07/35/87/219073587.db2.gz AXSOMVRACLLBQQ-DOTOQJQBSA-N 1 0 316.453 1.632 10 0 DDAERO CCC(=O)Nc1ccc(Cl)c(NC(=O)[C@H]2COC[C@@H]2[NH3+])c1 ZINC000090379881 185293492 /nfs/dbraw/zinc/29/34/92/185293492.db2.gz SXYQNCDGTUGZBF-ONGXEEELSA-N 1 0 311.769 1.601 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(C)cc1Br ZINC000090431413 185295915 /nfs/dbraw/zinc/29/59/15/185295915.db2.gz GORWCSKJHFLZQE-CABZTGNLSA-N 1 0 313.195 1.930 10 0 DDAERO C[NH2+][C@H](C[S@@](=O)CCCOC)c1ccc(OC)c(OC)c1 ZINC000081998451 192353675 /nfs/dbraw/zinc/35/36/75/192353675.db2.gz BMFHDRJLAJSMMN-LRTDBIEQSA-N 1 0 315.435 1.750 10 0 DDAERO C[C@]1(C(=O)Nc2cc3c(cc2Cl)NC(=O)C3)COC[C@H]1[NH3+] ZINC000090586722 185305099 /nfs/dbraw/zinc/30/50/99/185305099.db2.gz BFJAVDQNMOVMJY-RISCZKNCSA-N 1 0 309.753 1.137 10 0 DDAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@H](C)c1sc(C)nc1C ZINC000090543138 185302040 /nfs/dbraw/zinc/30/20/40/185302040.db2.gz DLRWMNIVSASFRG-WCFLWFBJSA-N 1 0 311.451 1.952 10 0 DDAERO O=C(c1ccc(=O)[nH]c1)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000090700422 185310563 /nfs/dbraw/zinc/31/05/63/185310563.db2.gz PFMQKYBWUBKELF-AWEZNQCLSA-N 1 0 321.446 1.418 10 0 DDAERO CC[NH2+]CCc1c(CC)nn(CCS(=O)(=O)CC)c1CC ZINC000092323592 185312199 /nfs/dbraw/zinc/31/21/99/185312199.db2.gz WNVSYPSPMOLQFP-UHFFFAOYSA-N 1 0 315.483 1.595 10 0 DDAERO CCn1cc(S(=O)(=O)NCc2c(C)noc2C)cc1C[NH3+] ZINC000092344228 185313294 /nfs/dbraw/zinc/31/32/94/185313294.db2.gz SBDWPXARDMMTIG-UHFFFAOYSA-N 1 0 312.395 1.050 10 0 DDAERO C[NH2+][C@H]1c2cc(OC)ccc2CC[C@H]1Sc1nnnn1C ZINC000092389647 185315725 /nfs/dbraw/zinc/31/57/25/185315725.db2.gz BHYKGIHRTVAYDY-OLZOCXBDSA-N 1 0 305.407 1.586 10 0 DDAERO CC(C)[C@H](CO)[NH2+]C[C@H](O)COCc1ccccc1Cl ZINC000092395292 185315778 /nfs/dbraw/zinc/31/57/78/185315778.db2.gz JHNGXNOQODZOKR-ZFWWWQNUSA-N 1 0 301.814 1.824 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)/C=C\c2ccc3c(c2)OCO3)CCO1 ZINC000255299920 282244978 /nfs/dbraw/zinc/24/49/78/282244978.db2.gz GRZDTUOVLLHBDT-KXQLTZBTSA-N 1 0 318.373 1.218 10 0 DDAERO Cc1ccc(N)c(C)c1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000092622542 185329999 /nfs/dbraw/zinc/32/99/99/185329999.db2.gz JGCZKWZCDKFYIY-CYBMUJFWSA-N 1 0 311.451 1.600 10 0 DDAERO C[C@H](C1CC1)N(CC(F)(F)F)C(=O)CN1CCC([NH3+])CC1 ZINC000092714063 185336020 /nfs/dbraw/zinc/33/60/20/185336020.db2.gz PLTARGANWVOEII-SNVBAGLBSA-N 1 0 307.360 1.599 10 0 DDAERO CCn1cnc(S(=O)(=O)N[C@@H](C)c2ccc(C[NH3+])cc2)c1 ZINC000092889783 185348054 /nfs/dbraw/zinc/34/80/54/185348054.db2.gz CHRUUHFFTUBIAC-NSHDSACASA-N 1 0 308.407 1.401 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)Cc1ncc(Cl)n1C ZINC000181396840 199290060 /nfs/dbraw/zinc/29/00/60/199290060.db2.gz URCRDVOGBIHJMM-NSHDSACASA-N 1 0 315.849 1.945 10 0 DDAERO CS(=O)(=O)c1ccc(CNC(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000054292421 190684122 /nfs/dbraw/zinc/68/41/22/190684122.db2.gz QOICBTPIUPIFKD-CYBMUJFWSA-N 1 0 310.419 1.096 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](C)Cn1ccnc1C ZINC000157545227 290729658 /nfs/dbraw/zinc/72/96/58/290729658.db2.gz KBKYRUANOGJYTE-KBPBESRZSA-N 1 0 309.458 1.857 10 0 DDAERO C[NH2+][C@@H](C)[C@H]1CCCN(S(=O)(=O)c2ccccc2F)C1 ZINC000111713947 185629337 /nfs/dbraw/zinc/62/93/37/185629337.db2.gz YKKQRHSFCREUKR-RYUDHWBXSA-N 1 0 300.399 1.834 10 0 DDAERO CC[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000111719374 185630874 /nfs/dbraw/zinc/63/08/74/185630874.db2.gz VMRATUQDLLLKTN-LLVKDONJSA-N 1 0 318.389 1.975 10 0 DDAERO Cn1c(Sc2cc(C(N)=[NH2+])c3ccccc3n2)n[nH]c1=O ZINC000068798478 190783256 /nfs/dbraw/zinc/78/32/56/190783256.db2.gz YANKAECXFFLTEP-UHFFFAOYSA-N 1 0 300.347 1.092 10 0 DDAERO CC(C)(C)OC(=O)Nc1cccc([C@H]2CN(CCO)CC[NH2+]2)c1 ZINC000616632743 362764497 /nfs/dbraw/zinc/76/44/97/362764497.db2.gz YUWLIAQVLYBCMR-OAHLLOKOSA-N 1 0 321.421 1.972 10 0 DDAERO Cc1ccc(N2CC[C@@H]([NH2+]C[C@@H]3CN(C)CCO3)C2=O)cc1 ZINC000119321285 185726159 /nfs/dbraw/zinc/72/61/59/185726159.db2.gz VRYLLVUWJCLVPZ-HZPDHXFCSA-N 1 0 303.406 1.021 10 0 DDAERO CC(C)(C)OC(=O)NCCN1c2ccccc2NC[C@@H]1C[NH3+] ZINC000616684036 362779221 /nfs/dbraw/zinc/77/92/21/362779221.db2.gz KWCDYUCFPBMXBK-LBPRGKRZSA-N 1 0 306.410 1.771 10 0 DDAERO [NH3+]C1CCC2(CC1)CN(S(=O)(=O)C1CCCC1)CCO2 ZINC000725244543 539568728 /nfs/dbraw/zinc/56/87/28/539568728.db2.gz YVWVRBGZJLTAOY-UHFFFAOYSA-N 1 0 302.440 1.231 10 0 DDAERO C[C@@H]1CN(c2ccc(C(N)=O)c(C(F)(F)F)c2)C[C@@H](C)[NH2+]1 ZINC000070078732 190856256 /nfs/dbraw/zinc/85/62/56/190856256.db2.gz PVURNHVNJLDTRW-RKDXNWHRSA-N 1 0 301.312 1.991 10 0 DDAERO C[C@H]1CC[C@H](C[NH3+])CN1S(=O)(=O)Cc1ccc(F)cc1 ZINC000070181140 190868416 /nfs/dbraw/zinc/86/84/16/190868416.db2.gz FTRFEWQAZIUUGM-WCQYABFASA-N 1 0 300.399 1.715 10 0 DDAERO [NH3+]Cc1ccnn1Cc1ccc(I)cc1 ZINC000083851666 192387542 /nfs/dbraw/zinc/38/75/42/192387542.db2.gz XHBKQOCEDCJMQE-UHFFFAOYSA-N 1 0 313.142 1.995 10 0 DDAERO CC(C)([NH2+]Cc1ccc(I)cc1)C(N)=O ZINC000083849266 192386457 /nfs/dbraw/zinc/38/64/57/192386457.db2.gz CTZBAYSWHQKNLQ-UHFFFAOYSA-N 1 0 318.158 1.645 10 0 DDAERO CC(C)(C)[NH2+]CCC[S@@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084055902 192398260 /nfs/dbraw/zinc/39/82/60/192398260.db2.gz VKSSPZRQUFWKMM-IBGZPJMESA-N 1 0 317.476 1.976 10 0 DDAERO Nc1ccc2nc(CC(=O)N3CC[C@]4(CC[NH2+]C4)C3)ccc2c1 ZINC000071697956 191008373 /nfs/dbraw/zinc/00/83/73/191008373.db2.gz QWIZYRGXJWPRNZ-SFHVURJKSA-N 1 0 310.401 1.572 10 0 DDAERO CC(=O)c1sc(NC(=O)Cc2csc(C[NH3+])n2)nc1C ZINC000071696432 191008389 /nfs/dbraw/zinc/00/83/89/191008389.db2.gz YXJXGGDPYLOQPY-UHFFFAOYSA-N 1 0 310.404 1.751 10 0 DDAERO C[C@H](CNS(=O)(=O)/C=C/c1ccccc1)N1CC[NH+](C)CC1 ZINC000072294550 191110854 /nfs/dbraw/zinc/11/08/54/191110854.db2.gz HWBNLNHBYLCAFC-XETPBLJFSA-N 1 0 323.462 1.213 10 0 DDAERO COc1c(C[NH+]2CCC(Cn3cncn3)CC2)c(C)nn1C ZINC000189969837 186256567 /nfs/dbraw/zinc/25/65/67/186256567.db2.gz ZAARAABOTXKYJW-UHFFFAOYSA-N 1 0 304.398 1.241 10 0 DDAERO Cc1csc([C@@H]2CN(C(=O)NC3CC[NH+](C)CC3)CCO2)n1 ZINC000194283583 186276996 /nfs/dbraw/zinc/27/69/96/186276996.db2.gz BBRAGKAKBGEVSL-ZDUSSCGKSA-N 1 0 324.450 1.629 10 0 DDAERO O=C(NCCc1ccc(O)cc1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262878432 186318055 /nfs/dbraw/zinc/31/80/55/186318055.db2.gz YQPXRLCZSUZQCA-AWEZNQCLSA-N 1 0 314.389 1.486 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)NCCc2ccc3c(c2)CCO3)C1 ZINC000172078106 198036269 /nfs/dbraw/zinc/03/62/69/198036269.db2.gz TWLIHWGTNCGCOT-HNNXBMFYSA-N 1 0 303.406 1.510 10 0 DDAERO CNc1cc(N2CCC[C@@H]2CNC(=O)CCCOC)ncn1 ZINC000173410620 198211934 /nfs/dbraw/zinc/21/19/34/198211934.db2.gz QAXMAEUZYVYJDW-GFCCVEGCSA-N 1 0 307.398 1.030 10 0 DDAERO COC(=O)c1ccccc1OCCN1CCO[C@H](C[NH+](C)C)C1 ZINC000182149457 199393967 /nfs/dbraw/zinc/39/39/67/199393967.db2.gz SLRGXNJFRIIZCS-CQSZACIVSA-N 1 0 322.405 1.114 10 0 DDAERO COCC(=O)N1CC[C@](O)(c2ccccc2)[C@H]([NH+]2CCCC2)C1 ZINC000097942735 353920689 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O=C(CC1C[NH2+]C1)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000081747572 192320813 /nfs/dbraw/zinc/32/08/13/192320813.db2.gz XJEABBDBRSXHOU-UHFFFAOYSA-N 1 0 304.318 1.231 10 0 DDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1cccc(NC(=O)N(C)C)c1 ZINC000237081773 202146241 /nfs/dbraw/zinc/14/62/41/202146241.db2.gz YTRBJEFBTVLWJQ-SMDDNHRTSA-N 1 0 306.410 1.770 10 0 DDAERO [NH3+]C[C@@H](SC[C@@H](O)CO)c1ccc(Br)cc1 ZINC000086659394 192587754 /nfs/dbraw/zinc/58/77/54/192587754.db2.gz PHJOQROEHCYAPT-WDEREUQCSA-N 1 0 306.225 1.535 10 0 DDAERO CCOC(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2S(C)(=O)=O)CC1 ZINC000086670771 192587929 /nfs/dbraw/zinc/58/79/29/192587929.db2.gz BQQATTVWOCAEOW-CHWSQXEVSA-N 1 0 318.439 1.163 10 0 DDAERO COc1ccc(C(=O)N[C@@H](C(=O)NCC(C)(C)[NH3+])C(C)C)cc1 ZINC000237170259 202175159 /nfs/dbraw/zinc/17/51/59/202175159.db2.gz LNEATBYGJPPLHH-CQSZACIVSA-N 1 0 321.421 1.303 10 0 DDAERO CC[NH2+]Cc1sc(S(=O)(=O)N2CCO[C@@H](C)C2)cc1C ZINC000088913902 192654560 /nfs/dbraw/zinc/65/45/60/192654560.db2.gz LETROKFTEPXTEQ-NSHDSACASA-N 1 0 318.464 1.575 10 0 DDAERO CCC[C@@H](C(=O)Nc1cccc(CN2CCOCC2)n1)[NH+](C)C ZINC000179504216 199046396 /nfs/dbraw/zinc/04/63/96/199046396.db2.gz XGHXLHUJISWXET-HNNXBMFYSA-N 1 0 320.437 1.583 10 0 DDAERO NC(=O)[C@@H](O)C1CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000299745879 283314542 /nfs/dbraw/zinc/31/45/42/283314542.db2.gz TUJBXYSISIDRJI-GJZGRUSLSA-N 1 0 308.809 1.886 10 0 DDAERO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2cccc(C)n2)C1 ZINC000348009546 283331705 /nfs/dbraw/zinc/33/17/05/283331705.db2.gz PYBQMGGCJONIAR-GJZGRUSLSA-N 1 0 303.406 1.715 10 0 DDAERO OC[C@H]1C[C@@H](O)C[N@@H+]1CCc1cccc(OC(F)(F)F)c1 ZINC000185173212 199819349 /nfs/dbraw/zinc/81/93/49/199819349.db2.gz SECZODKXPBKYSS-VXGBXAGGSA-N 1 0 305.296 1.555 10 0 DDAERO COc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cc1OC ZINC000180500352 199167016 /nfs/dbraw/zinc/16/70/16/199167016.db2.gz ZVRBPRDJVZDQNF-UONOGXRCSA-N 1 0 308.422 1.993 10 0 DDAERO C[NH2+]CC1CCN(S(=O)(=O)NCc2ccc(C)s2)CC1 ZINC000089021384 192700047 /nfs/dbraw/zinc/70/00/47/192700047.db2.gz ZBUUYXAJNRBOPA-UHFFFAOYSA-N 1 0 317.480 1.322 10 0 DDAERO CCn1cc(S(=O)(=O)N2CCCO[C@@H](C)C2)cc1C[NH2+]C ZINC000089027362 192706289 /nfs/dbraw/zinc/70/62/89/192706289.db2.gz CTXOBTPXTCGVSN-LBPRGKRZSA-N 1 0 315.439 1.027 10 0 DDAERO CCC[NH2+]CC1CCN(S(=O)(=O)N2CCCC2(C)C)CC1 ZINC000089034941 192710576 /nfs/dbraw/zinc/71/05/76/192710576.db2.gz ZZWSZXWCQTXTDD-UHFFFAOYSA-N 1 0 317.499 1.817 10 0 DDAERO CC[NH2+]CCn1cc(S(=O)(=O)NC(CC)(CC)CC)cn1 ZINC000089049392 192720446 /nfs/dbraw/zinc/72/04/46/192720446.db2.gz LBDUIXGFWWOKES-UHFFFAOYSA-N 1 0 316.471 1.740 10 0 DDAERO C[C@@H]1CCCCN1S(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089132408 192731934 /nfs/dbraw/zinc/73/19/34/192731934.db2.gz KDISKSWHPFGKAH-MGPQQGTHSA-N 1 0 303.472 1.555 10 0 DDAERO CCc1nn(CC)c(C[C@@]2(O)CC[NH2+]C2)c1Br ZINC000089354248 192772348 /nfs/dbraw/zinc/77/23/48/192772348.db2.gz ZRBNRVBNOQANCH-LBPRGKRZSA-N 1 0 302.216 1.495 10 0 DDAERO NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089386196 192777664 /nfs/dbraw/zinc/77/76/64/192777664.db2.gz KYRDRPOUWDHGBN-MFKMUULPSA-N 1 0 311.407 1.038 10 0 DDAERO CN1c2ccc(CN3CCO[C@H](C[NH+](C)C)C3)cc2CCC1=O ZINC000186756544 200004787 /nfs/dbraw/zinc/00/47/87/200004787.db2.gz FTRJKQTZVLUVLD-MRXNPFEDSA-N 1 0 317.433 1.358 10 0 DDAERO COC(=O)C[C@@H](NC(=O)c1coc(C[NH3+])c1)c1ccccc1 ZINC000187279882 200087631 /nfs/dbraw/zinc/08/76/31/200087631.db2.gz MCTWNVDCSGRKJD-CQSZACIVSA-N 1 0 302.330 1.773 10 0 DDAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)C1 ZINC000237934674 202397508 /nfs/dbraw/zinc/39/75/08/202397508.db2.gz JKWUDCXZDMTKMR-HZPDHXFCSA-N 1 0 321.465 1.755 10 0 DDAERO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000193410848 201048468 /nfs/dbraw/zinc/04/84/68/201048468.db2.gz CDSPXARQXFZPHS-APPZFPTMSA-N 1 0 308.325 1.380 10 0 DDAERO CC(C)C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1nc(-c2nc[nH]n2)no1 ZINC000195101794 201340423 /nfs/dbraw/zinc/34/04/23/201340423.db2.gz ONCAFVQTBQFOHO-UTUOFQBUSA-N 1 0 320.397 1.957 10 0 DDAERO Cn1ccnc(N2CCC[C@H]([NH2+]C[C@H]3CC=CCC3)C2)c1=O ZINC000275625103 212446663 /nfs/dbraw/zinc/44/66/63/212446663.db2.gz RXSJZOIYWYFMDF-GJZGRUSLSA-N 1 0 302.422 1.695 10 0 DDAERO CCS(=O)(=O)[C@@H]1CSCCN1CC[NH2+][C@@H](C)C1CC1 ZINC000090928419 192951210 /nfs/dbraw/zinc/95/12/10/192951210.db2.gz QYHRJCLAYKYWOL-WCQYABFASA-N 1 0 306.497 1.184 10 0 DDAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCNC(=O)c3cccs3)C[C@H]12 ZINC000248613078 202750691 /nfs/dbraw/zinc/75/06/91/202750691.db2.gz LJZJKUJROPISEC-GRYCIOLGSA-N 1 0 307.419 1.064 10 0 DDAERO CCC[C@H](C(=O)N[C@H]1C[C@@H](OCC)C12CCOCC2)[NH+](C)C ZINC000248575131 283791794 /nfs/dbraw/zinc/79/17/94/283791794.db2.gz ORJKCAYBJLXRDK-QLFBSQMISA-N 1 0 312.454 1.807 10 0 DDAERO Cn1c(C[C@H]2C[NH2+]CCO2)nc2cc(Br)ccc21 ZINC000091293251 193033285 /nfs/dbraw/zinc/03/32/85/193033285.db2.gz BATABSLRHSWEDW-JTQLQIEISA-N 1 0 310.195 1.867 10 0 DDAERO CC[NH2+]CC[C@@](C)(O)Cc1c(Br)c(C)nn1C ZINC000091464997 193059045 /nfs/dbraw/zinc/05/90/45/193059045.db2.gz BYQACRUELAQAFS-GFCCVEGCSA-N 1 0 304.232 1.784 10 0 DDAERO C[C@@]1(n2ncc(C[NH2+]C3CC3)c2C2CC2)CCS(=O)(=O)C1 ZINC000091337276 193043708 /nfs/dbraw/zinc/04/37/08/193043708.db2.gz PZXJQQNQGIFVTJ-OAHLLOKOSA-N 1 0 309.435 1.546 10 0 DDAERO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cnc(Cl)s2)C1 ZINC000091393699 193050526 /nfs/dbraw/zinc/05/05/26/193050526.db2.gz CDAXBZQXHOYNTO-MRVPVSSYSA-N 1 0 309.844 1.511 10 0 DDAERO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCN3)C1 ZINC000091432265 193055357 /nfs/dbraw/zinc/05/53/57/193055357.db2.gz KFKIFQGTTMZKML-ZDUSSCGKSA-N 1 0 309.435 1.369 10 0 DDAERO CSC1(C(N)=S)CC[NH+]([C@H](C)C(=O)NC(C)C)CC1 ZINC000091488299 193063320 /nfs/dbraw/zinc/06/33/20/193063320.db2.gz XEFNQZVMYQSBJO-SNVBAGLBSA-N 1 0 303.497 1.383 10 0 DDAERO Cc1nc(NC(=O)[C@H]2C[NH2+]CCO2)ccc1Br ZINC000091507175 193066725 /nfs/dbraw/zinc/06/67/25/193066725.db2.gz RHUNXCSTVXZUMY-SECBINFHSA-N 1 0 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Cn1ccnc1[C@@H](NC(=O)CC[NH+](C)C)c1ccccc1F ZINC000041536440 183199682 /nfs/dbraw/zinc/19/96/82/183199682.db2.gz MYUCACZJJFPIJZ-HNNXBMFYSA-N 1 0 304.369 1.717 10 0 DDAERO [NH3+]Cc1cccc(Br)c1O[C@@H]1CCS(=O)(=O)C1 ZINC000042411421 183264958 /nfs/dbraw/zinc/26/49/58/183264958.db2.gz UJTLGTPRUNSTFB-SECBINFHSA-N 1 0 320.208 1.474 10 0 DDAERO CCO[C@H]1CCCN(S(=O)(=O)CCC2CC[NH2+]CC2)C1 ZINC000042425259 183268780 /nfs/dbraw/zinc/26/87/80/183268780.db2.gz SQXSQVGVFYOQCH-AWEZNQCLSA-N 1 0 304.456 1.207 10 0 DDAERO C[NH2+]Cc1ccc(Br)cc1N(C)C[C@H](O)COC ZINC000042511708 183278759 /nfs/dbraw/zinc/27/87/59/183278759.db2.gz RWXVQBOPKBKNJF-LBPRGKRZSA-N 1 0 317.227 1.612 10 0 DDAERO CCN([C@@H](C)COC)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000042768432 183306821 /nfs/dbraw/zinc/30/68/21/183306821.db2.gz MUXVLJKHKYYNTC-LBPRGKRZSA-N 1 0 300.424 1.332 10 0 DDAERO C[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)N1CCNC(=O)C1 ZINC000042952055 183320378 /nfs/dbraw/zinc/32/03/78/183320378.db2.gz BIYNVUOSNZCTBA-RNCFNFMXSA-N 1 0 312.211 1.269 10 0 DDAERO CN(C)C(=O)CN(C)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042953090 183321974 /nfs/dbraw/zinc/32/19/74/183321974.db2.gz KKBDVURGUCGPBV-GFCCVEGCSA-N 1 0 314.227 1.469 10 0 DDAERO C[C@@H]([NH3+])[C@@H](c1cccc(F)c1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000042972084 183324487 /nfs/dbraw/zinc/32/44/87/183324487.db2.gz KLUAAQQXVSNYMJ-HONMWMINSA-N 1 0 300.399 1.333 10 0 DDAERO O=S(=O)(CC[C@H]1CCCC[NH2+]1)N(CC(F)(F)F)C1CC1 ZINC000042782472 183309142 /nfs/dbraw/zinc/30/91/42/183309142.db2.gz HDBAVPAGDVQYQC-SNVBAGLBSA-N 1 0 314.373 1.875 10 0 DDAERO NS(=O)(=O)CCC[NH2+]Cc1ccccc1Br ZINC000045067164 183478878 /nfs/dbraw/zinc/47/88/78/183478878.db2.gz DUKAWIZIHKRXRA-UHFFFAOYSA-N 1 0 307.213 1.217 10 0 DDAERO CC(C)[NH2+][C@](C)(CCCn1ccc(C(F)(F)F)n1)C(N)=O ZINC000045459921 183509594 /nfs/dbraw/zinc/50/95/94/183509594.db2.gz BQAKYYQAXLRJIN-GFCCVEGCSA-N 1 0 306.332 1.924 10 0 DDAERO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000105620746 194115631 /nfs/dbraw/zinc/11/56/31/194115631.db2.gz 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CCN(CC)C(=O)[C@@H](C)[NH+]1CCC(c2nncn2CC)CC1 ZINC000105929152 194173406 /nfs/dbraw/zinc/17/34/06/194173406.db2.gz KHGLAPKKNNUREB-CYBMUJFWSA-N 1 0 307.442 1.734 10 0 DDAERO COCC[N@@H+]1CCN(Cc2cc(OC)ccc2OC)C[C@H]1C ZINC000106109140 194187646 /nfs/dbraw/zinc/18/76/46/194187646.db2.gz VBRRCADWTXWSSY-CQSZACIVSA-N 1 0 308.422 1.856 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2ccc(C(=O)OC)o2)C[C@@H]1CC ZINC000106119233 194188106 /nfs/dbraw/zinc/18/81/06/194188106.db2.gz MPWXZVMVSMXUOD-AWEZNQCLSA-N 1 0 324.421 1.999 10 0 DDAERO CCNS(=O)(=O)c1ccccc1N[C@@H](C[NH+](C)C)C(C)C ZINC000049218501 183720153 /nfs/dbraw/zinc/72/01/53/183720153.db2.gz UEOGLTJKWQNCMD-AWEZNQCLSA-N 1 0 313.467 1.983 10 0 DDAERO C[NH2+]Cc1cc(Cl)cc(Cl)c1OCC(=O)NCCOC ZINC000049277925 183723226 /nfs/dbraw/zinc/72/32/26/183723226.db2.gz WDKOBCWQOVRSIP-UHFFFAOYSA-N 1 0 321.204 1.854 10 0 DDAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)NCCc1ccc(F)cc1 ZINC000049632554 183749806 /nfs/dbraw/zinc/74/98/06/183749806.db2.gz UMBQJEJIKJRYJB-ZDUSSCGKSA-N 1 0 300.399 1.287 10 0 DDAERO C[NH+](C)CCCNC(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000049659078 183752916 /nfs/dbraw/zinc/75/29/16/183752916.db2.gz PQCKDXPKHZHTRR-UHFFFAOYSA-N 1 0 301.390 1.203 10 0 DDAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NC[C@H](O)C(C)(C)C ZINC000638277760 422797162 /nfs/dbraw/zinc/79/71/62/422797162.db2.gz CLXNWNNWCRNPLT-AEGPPILISA-N 1 0 308.422 1.442 10 0 DDAERO CCC[C@@H](C(N)=S)[NH+]1CCN(C(=O)c2ccc(C)o2)CC1 ZINC000109464310 194266288 /nfs/dbraw/zinc/26/62/88/194266288.db2.gz GTOOPEYBAMWLQR-LBPRGKRZSA-N 1 0 309.435 1.801 10 0 DDAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)N[C@@H]1CCOc2ccccc21 ZINC000051988056 183844290 /nfs/dbraw/zinc/84/42/90/183844290.db2.gz OEKAUEUXTHSYCA-GXTWGEPZSA-N 1 0 310.419 1.429 10 0 DDAERO CC[NH2+]C[C@H](CCOCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000052950679 183881726 /nfs/dbraw/zinc/88/17/26/183881726.db2.gz LTXQSADOOVGBFO-WDEREUQCSA-N 1 0 317.373 1.616 10 0 DDAERO CCNS(=O)(=O)c1ccc(NCC[C@H]2CCC[NH2+]C2)cc1 ZINC000110793466 194359386 /nfs/dbraw/zinc/35/93/86/194359386.db2.gz AXWPHFQQFPJREG-CYBMUJFWSA-N 1 0 311.451 1.786 10 0 DDAERO COc1ccc(Cl)cc1NC(=O)CN(C)[C@H]1CCC[NH2+]C1 ZINC000110929261 194371182 /nfs/dbraw/zinc/37/11/82/194371182.db2.gz BEOSDVIWPQGUJP-LBPRGKRZSA-N 1 0 311.813 1.971 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CCCOC2)cc1 ZINC000111179712 194399261 /nfs/dbraw/zinc/39/92/61/194399261.db2.gz JJOXOSWZJRVBCF-AWEZNQCLSA-N 1 0 312.435 1.453 10 0 DDAERO CSc1ccc([C@H](C)NC(=O)CN2CCC[NH2+]CC2)cc1 ZINC000061270634 184167050 /nfs/dbraw/zinc/16/70/50/184167050.db2.gz BWTBITCHAKBMAF-ZDUSSCGKSA-N 1 0 307.463 1.881 10 0 DDAERO Clc1nc(NCC[NH+]2CCCCC2)nc(-n2ccnc2)n1 ZINC000061539593 184173719 /nfs/dbraw/zinc/17/37/19/184173719.db2.gz OBKHXIZMHNUDQL-UHFFFAOYSA-N 1 0 307.789 1.609 10 0 DDAERO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cc(N)c(F)cc1F ZINC000061642493 184180130 /nfs/dbraw/zinc/18/01/30/184180130.db2.gz LLRWAGBMQGIHNZ-VIFPVBQESA-N 1 0 319.377 1.262 10 0 DDAERO C[NH+](C)CCN1CCN(c2nc3c(s2)C(=O)CCC3)CC1 ZINC000061655434 184181292 /nfs/dbraw/zinc/18/12/92/184181292.db2.gz FNJDYNZMAPUJDZ-UHFFFAOYSA-N 1 0 308.451 1.346 10 0 DDAERO CC[C@H](Oc1ccc(Br)cc1C[NH2+]C)C(N)=O ZINC000061675714 184181789 /nfs/dbraw/zinc/18/17/89/184181789.db2.gz RMLIPEQEQJULKA-JTQLQIEISA-N 1 0 301.184 1.811 10 0 DDAERO CN(C)CC[NH2+][C@@](C)(CO)c1ccc(F)c(Br)c1 ZINC000061689764 184182733 /nfs/dbraw/zinc/18/27/33/184182733.db2.gz WQRJOORHAKCDAR-ZDUSSCGKSA-N 1 0 319.218 1.947 10 0 DDAERO Nc1cc(Cl)cc(Cl)c1NC(=O)CC[N@@H+]1CC[C@H](O)C1 ZINC000061709619 184184655 /nfs/dbraw/zinc/18/46/55/184184655.db2.gz IVQAABCVDUVFSF-VIFPVBQESA-N 1 0 318.204 1.971 10 0 DDAERO COC(=O)[C@](C)(CCC[N@@H+]1CCCO[C@@H](C)C1)NC(C)C ZINC000061933247 184196885 /nfs/dbraw/zinc/19/68/85/184196885.db2.gz YDIIUHGPUOOOSI-HOCLYGCPSA-N 1 0 300.443 1.807 10 0 DDAERO CC[NH2+]C[C@H]1CC[C@H](CN2CCN(CC(F)(F)F)CC2)O1 ZINC000061948315 184198204 /nfs/dbraw/zinc/19/82/04/184198204.db2.gz BYIKAMCXGZVXAT-CHWSQXEVSA-N 1 0 309.376 1.323 10 0 DDAERO COCC[NH2+]Cc1cc(Cl)ccc1OC[C@@H](C)C(N)=O ZINC000062731027 184251171 /nfs/dbraw/zinc/25/11/71/184251171.db2.gz SWDMBGVNAUPWSJ-SNVBAGLBSA-N 1 0 300.786 1.576 10 0 DDAERO CCC1(C(=O)Nc2cccc(S(N)(=O)=O)c2)CC[NH2+]CC1 ZINC000062847678 184256485 /nfs/dbraw/zinc/25/64/85/184256485.db2.gz ALXVGDMGZYEGBB-UHFFFAOYSA-N 1 0 311.407 1.052 10 0 DDAERO Nc1ccccc1CS(=O)(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062940680 184260937 /nfs/dbraw/zinc/26/09/37/184260937.db2.gz HVERWCNGUBGKAJ-CQSZACIVSA-N 1 0 309.435 1.269 10 0 DDAERO Nc1nc(CN2CCC[N@@H+]3CCC[C@@H]3C2)nc2sccc21 ZINC000062941864 184261655 /nfs/dbraw/zinc/26/16/55/184261655.db2.gz QTSHILPIHUURAI-LLVKDONJSA-N 1 0 303.435 1.944 10 0 DDAERO CS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000063212231 184278423 /nfs/dbraw/zinc/27/84/23/184278423.db2.gz MDYVUHZWWUTRMK-KGLIPLIRSA-N 1 0 310.419 1.480 10 0 DDAERO [NH3+][C@@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000063213850 184278864 /nfs/dbraw/zinc/27/88/64/184278864.db2.gz ZVHZNYKGODKSFE-CHWSQXEVSA-N 1 0 304.362 1.903 10 0 DDAERO Cc1ccc([C@H]([C@H](C)[NH3+])N2CC[C@H](N3CCOCC3)C2)s1 ZINC000062977900 184264031 /nfs/dbraw/zinc/26/40/31/184264031.db2.gz YYSONKKUZANPPT-DZKIICNBSA-N 1 0 309.479 1.851 10 0 DDAERO NN=c1[nH]cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1Cl ZINC000062985120 184264815 /nfs/dbraw/zinc/26/48/15/184264815.db2.gz DLLMNKXVWQIDQE-NSHDSACASA-N 1 0 309.801 1.331 10 0 DDAERO [NH3+]C[C@@H](CO)c1ccc(F)cc1S(=O)(=O)C(F)(F)F ZINC000063065395 184268996 /nfs/dbraw/zinc/26/89/96/184268996.db2.gz UGYSEGOSNGENNW-LURJTMIESA-N 1 0 301.261 1.154 10 0 DDAERO Cc1cc(Br)ccc1OCCn1cc(C[NH3+])nn1 ZINC000063062532 184269046 /nfs/dbraw/zinc/26/90/46/184269046.db2.gz XKRJIMINPAJRJK-UHFFFAOYSA-N 1 0 311.183 1.887 10 0 DDAERO CNc1ccc(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)cc1 ZINC000063125213 184271555 /nfs/dbraw/zinc/27/15/55/184271555.db2.gz HUIGDBWOBGTQGB-UHFFFAOYSA-N 1 0 311.451 1.691 10 0 DDAERO C[C@@]([NH3+])(CCCSc1ccc(S(C)(=O)=O)cc1)C(N)=O ZINC000063131825 184272213 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C[C@@H]([NH3+])c1cccc(NC(=O)N[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000069146095 184501844 /nfs/dbraw/zinc/50/18/44/184501844.db2.gz FIETWNCEFMYCPH-ZWNOBZJWSA-N 1 0 311.407 1.405 10 0 DDAERO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000120105606 195097662 /nfs/dbraw/zinc/09/76/62/195097662.db2.gz ZPPQWJDPMLDMCN-YCPHGPKFSA-N 1 0 311.447 1.990 10 0 DDAERO Cn1nccc1C1CCN(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000155221433 197033726 /nfs/dbraw/zinc/03/37/26/197033726.db2.gz MKICDMKMWSMKTB-UHFFFAOYSA-N 1 0 305.426 1.403 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2ccc(F)c(F)c2)C[C@H]1C ZINC000120680447 195215344 /nfs/dbraw/zinc/21/53/44/195215344.db2.gz IPKIGMBRBVEKTM-VXGBXAGGSA-N 1 0 312.360 1.421 10 0 DDAERO CN(CC(=O)Nc1cccc(Cl)c1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000152024913 196760445 /nfs/dbraw/zinc/76/04/45/196760445.db2.gz ZJYJFSZUTNGZFG-CMPLNLGQSA-N 1 0 309.797 1.864 10 0 DDAERO CC(C)(O)C[NH+]1CCN(C(=O)N[C@H]2COc3ccccc32)CC1 ZINC000151530052 196693689 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O=C([C@@H]1CCCO1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC000247761542 257118678 /nfs/dbraw/zinc/11/86/78/257118678.db2.gz HUSYSCCFKNZBCK-HNNXBMFYSA-N 1 0 318.421 1.043 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COCC(C)C)C12CCOCC2 ZINC000249049001 286283340 /nfs/dbraw/zinc/28/33/40/286283340.db2.gz WLWRPGJDTUGSEI-BZUAXINKSA-N 1 0 315.454 1.584 10 0 DDAERO Cc1cc(S(C)(=O)=O)cc(C(=O)N2CC[C@H]([NH+](C)C)C2)c1C ZINC000128718304 407566961 /nfs/dbraw/zinc/56/69/61/407566961.db2.gz MEORKLSNSKNLHJ-ZDUSSCGKSA-N 1 0 324.446 1.483 10 0 DDAERO [NH3+][C@@H]1CCN(c2ccc(-c3nc(-c4ccccn4)no3)cn2)C1 ZINC000070457835 406816179 /nfs/dbraw/zinc/81/61/79/406816179.db2.gz OGWBGFRCMYCUDX-GFCCVEGCSA-N 1 0 308.345 1.731 10 0 DDAERO [NH3+]Cc1ccc(Cn2cc(I)cn2)o1 ZINC000070678977 406819833 /nfs/dbraw/zinc/81/98/33/406819833.db2.gz PDCGTILASRDCMD-UHFFFAOYSA-N 1 0 303.103 1.588 10 0 DDAERO COc1cccc(NC(=O)c2cn(CC[NH2+]CC(C)C)nn2)c1 ZINC000012127643 406835276 /nfs/dbraw/zinc/83/52/76/406835276.db2.gz 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C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2cnnc2)cc1 ZINC000113227213 407477984 /nfs/dbraw/zinc/47/79/84/407477984.db2.gz SFAHAXYIDJSEDM-XJKSGUPXSA-N 1 0 311.389 1.576 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CN(C)C(=O)OC(C)(C)C ZINC000113232503 407480978 /nfs/dbraw/zinc/48/09/78/407480978.db2.gz GIWMJSWQPMUZTM-CHWSQXEVSA-N 1 0 311.426 1.548 10 0 DDAERO Cc1cc(=O)n2nc(CN3C[C@H]4CCC[N@H+]4C[C@@H]3C)sc2n1 ZINC000113271068 407485310 /nfs/dbraw/zinc/48/53/10/407485310.db2.gz YXFNXMHNFBSHHG-NWDGAFQWSA-N 1 0 319.434 1.128 10 0 DDAERO C[C@H](CNC(=O)N[C@@H](C)c1nnc2n1CCCC2)[N@H+](C)C1CC1 ZINC000151759845 407492297 /nfs/dbraw/zinc/49/22/97/407492297.db2.gz UDYVBSOSRAPFOE-NEPJUHHUSA-N 1 0 320.441 1.457 10 0 DDAERO COc1ccc(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(C)c1 ZINC000170754567 407492634 /nfs/dbraw/zinc/49/26/34/407492634.db2.gz HCFNVEJTGBGLPA-CQSZACIVSA-N 1 0 321.421 1.972 10 0 DDAERO COc1ccc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000113305509 407494261 /nfs/dbraw/zinc/49/42/61/407494261.db2.gz CWAIFFJGTCDEGL-CHWSQXEVSA-N 1 0 310.419 1.552 10 0 DDAERO CC1(C)CO[C@@H](c2ccccc2)C[N@@H+]1CCCC(=O)NC(N)=O ZINC000170778927 407502703 /nfs/dbraw/zinc/50/27/03/407502703.db2.gz VQGWZPQDDFMEQV-CQSZACIVSA-N 1 0 319.405 1.814 10 0 DDAERO Cc1nn(-c2ccccc2)cc1CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000128189423 407506937 /nfs/dbraw/zinc/50/69/37/407506937.db2.gz IVMPCOZGUHSLTD-SFHVURJKSA-N 1 0 314.433 1.943 10 0 DDAERO [NH3+]C1(C(=O)NCc2ccc(Br)cc2)CCOCC1 ZINC000127724633 407459586 /nfs/dbraw/zinc/45/95/86/407459586.db2.gz XXPXBBKPXVEGSB-UHFFFAOYSA-N 1 0 313.195 1.573 10 0 DDAERO CNc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)nc(NC)[nH+]1 ZINC000253577383 407461988 /nfs/dbraw/zinc/46/19/88/407461988.db2.gz WZVFWDWGXLUYBD-UHFFFAOYSA-N 1 0 323.401 1.012 10 0 DDAERO Cc1nc(NC[C@@H]([NH3+])c2ccccc2)sc1S(N)(=O)=O ZINC000261669573 407574863 /nfs/dbraw/zinc/57/48/63/407574863.db2.gz FUYMNJKKEZMGEV-SNVBAGLBSA-N 1 0 312.420 1.211 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(N3CCOC3=O)cc2)C1 ZINC000171080388 407591643 /nfs/dbraw/zinc/59/16/43/407591643.db2.gz HYRKPZFMYPWVDM-AWEZNQCLSA-N 1 0 318.377 1.811 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC(=O)N1CCCCC1 ZINC000113590786 407518440 /nfs/dbraw/zinc/51/84/40/407518440.db2.gz NKNXNAOBLSWAJZ-LSDHHAIUSA-N 1 0 322.453 1.267 10 0 DDAERO CCN(Cc1cccc(F)c1)C(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178636974 407523048 /nfs/dbraw/zinc/52/30/48/407523048.db2.gz MSTBIOOUADPNBR-QGZVFWFLSA-N 1 0 319.424 1.954 10 0 DDAERO CCC[C@H](C(=O)NCc1cccc(C(=O)NCC)c1)[NH+](C)C ZINC000178648933 407528604 /nfs/dbraw/zinc/52/86/04/407528604.db2.gz BIGGHGCIZIPJFG-OAHLLOKOSA-N 1 0 305.422 1.783 10 0 DDAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170860977 407533564 /nfs/dbraw/zinc/53/35/64/407533564.db2.gz JOBYEBJCQIRGDU-JSGCOSHPSA-N 1 0 304.394 1.359 10 0 DDAERO COc1c(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c(C)nn1C ZINC000128472143 407537545 /nfs/dbraw/zinc/53/75/45/407537545.db2.gz DRLWYGOQNGBSPC-CYBMUJFWSA-N 1 0 304.398 1.241 10 0 DDAERO NC(=O)c1csc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000128479415 407542762 /nfs/dbraw/zinc/54/27/62/407542762.db2.gz CSVORGPFHPCTSN-NSHDSACASA-N 1 0 305.407 1.351 10 0 DDAERO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccccc2OC(F)F)C1 ZINC000170873439 407543041 /nfs/dbraw/zinc/54/30/41/407543041.db2.gz DPZJBAGOBDBVBM-JTQLQIEISA-N 1 0 320.361 1.613 10 0 DDAERO COCCn1cc(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000178929906 407661101 /nfs/dbraw/zinc/66/11/01/407661101.db2.gz DPTSMMMGTUNPOB-OAHLLOKOSA-N 1 0 323.441 1.771 10 0 DDAERO CCC[C@@H]([NH3+])C(=O)N1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC000178838876 407622095 /nfs/dbraw/zinc/62/20/95/407622095.db2.gz FZTWZVQXKYJRNK-NWDGAFQWSA-N 1 0 309.376 1.847 10 0 DDAERO CNC(=O)[C@H](NC(=O)c1ccccc1OCC[NH+](C)C)C(C)C ZINC000178858389 407631172 /nfs/dbraw/zinc/63/11/72/407631172.db2.gz IXXOJYYMLLTDSE-OAHLLOKOSA-N 1 0 321.421 1.127 10 0 DDAERO CCO[C@H]1C[C@@H]([NH2+]CCN(C)CCOC)C12CCOCC2 ZINC000186310585 407634982 /nfs/dbraw/zinc/63/49/82/407634982.db2.gz KMZAAZDKAMYMQA-CABCVRRESA-N 1 0 300.443 1.128 10 0 DDAERO CN(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)CC(F)(F)F ZINC000261894474 407660512 /nfs/dbraw/zinc/66/05/12/407660512.db2.gz GZQOVBMWHXOWPK-XQQFMLRXSA-N 1 0 309.376 1.227 10 0 DDAERO [NH3+]C1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCOCC1 ZINC000261889257 407657396 /nfs/dbraw/zinc/65/73/96/407657396.db2.gz QFANWRQBNRZGJG-MRXNPFEDSA-N 1 0 323.481 1.609 10 0 DDAERO Cc1cccc(NC(=O)NCC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000261912965 407669694 /nfs/dbraw/zinc/66/96/94/407669694.db2.gz YIUBIHYRONXUCO-CHWSQXEVSA-N 1 0 304.394 1.312 10 0 DDAERO O[C@H](COCc1cccs1)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000178973290 407679077 /nfs/dbraw/zinc/67/90/77/407679077.db2.gz QNPPHYJFOWJNRV-CABCVRRESA-N 1 0 310.463 1.796 10 0 DDAERO FC(F)Cn1cc(N[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cn1 ZINC000261967319 407696481 /nfs/dbraw/zinc/69/64/81/407696481.db2.gz QECFSYHQTIUDGS-YNEHKIRRSA-N 1 0 300.353 1.717 10 0 DDAERO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000171553454 407703434 /nfs/dbraw/zinc/70/34/34/407703434.db2.gz NAIZHTMQOHHIIV-UONOGXRCSA-N 1 0 319.453 1.680 10 0 DDAERO CC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)c1 ZINC000261990094 407703781 /nfs/dbraw/zinc/70/37/81/407703781.db2.gz SNCJQIKRZILIEC-KZNAEPCWSA-N 1 0 317.433 1.892 10 0 DDAERO COc1ccccc1[C@@H](C)NC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171642069 407730142 /nfs/dbraw/zinc/73/01/42/407730142.db2.gz XEIAHNPDCKAHRZ-HUUCEWRRSA-N 1 0 317.433 1.652 10 0 DDAERO C[NH2+][C@H](C(N)=O)c1ccc(Br)c(Br)c1 ZINC000234469172 407706848 /nfs/dbraw/zinc/70/68/48/407706848.db2.gz CQRNIAUZANEEKM-QMMMGPOBSA-N 1 0 322.000 1.957 10 0 DDAERO CC(C)(C)N1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CC1=O ZINC000262027733 407718154 /nfs/dbraw/zinc/71/81/54/407718154.db2.gz XFWHUTMZJRBYKO-KBUPBQIOSA-N 1 0 309.454 1.133 10 0 DDAERO CN(C)C(=O)c1cc(NC(=O)C2(C[NH3+])CCOCC2)ccc1F ZINC000262144544 407751789 /nfs/dbraw/zinc/75/17/89/407751789.db2.gz 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287597310 /nfs/dbraw/zinc/59/73/10/287597310.db2.gz DFRVWXCOTODERE-SCZZXKLOSA-N 1 0 322.352 1.852 10 0 DDAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CNC(=O)C1 ZINC000633796357 422085497 /nfs/dbraw/zinc/08/54/97/422085497.db2.gz GQLNAOGERVPPAG-VNQPRFMTSA-N 1 0 315.417 1.007 10 0 DDAERO COc1nc(N2CCCCC[C@@H]([NH3+])C2)ncc1Br ZINC000630550660 422174161 /nfs/dbraw/zinc/17/41/61/422174161.db2.gz WPYGWRYJFMBZPY-SECBINFHSA-N 1 0 315.215 1.955 10 0 DDAERO Cc1ccccc1OCC[N@@H+]1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583617964 422202201 /nfs/dbraw/zinc/20/22/01/422202201.db2.gz OCXDZODENBZXFA-INIZCTEOSA-N 1 0 302.378 1.476 10 0 DDAERO COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC(=O)N3CCCC[C@@H]13)CO2 ZINC000575603565 422304146 /nfs/dbraw/zinc/30/41/46/422304146.db2.gz VBNDLSHKLSWGIW-IMJJTQAJSA-N 1 0 316.401 1.742 10 0 DDAERO CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@@H](c2ccc(N)nc2)C1 ZINC000616612082 422516983 /nfs/dbraw/zinc/51/69/83/422516983.db2.gz MUQVKGXXNFSGLC-CYBMUJFWSA-N 1 0 306.410 1.978 10 0 DDAERO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H](C)COCc2ccccc2)C1 ZINC000638019960 422562243 /nfs/dbraw/zinc/56/22/43/422562243.db2.gz DTXGYQBTTNTLNQ-UKPHBRMFSA-N 1 0 306.406 1.475 10 0 DDAERO C[C@@H]1CN(C(=O)COc2ccc(F)cc2Cl)C[C@@H]1C[NH3+] ZINC000638885500 423175715 /nfs/dbraw/zinc/17/57/15/423175715.db2.gz IKVSFDXBNQBSMN-ZJUUUORDSA-N 1 0 300.761 1.911 10 0 DDAERO COCCC[C@H](C)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000182111180 263373146 /nfs/dbraw/zinc/37/31/46/263373146.db2.gz LRICNHNKFIWSRL-GJZGRUSLSA-N 1 0 314.470 1.600 10 0 DDAERO O=C(NCc1ccc(Br)s1)[C@@H]1C[NH2+]CCOC1 ZINC000643642302 423239673 /nfs/dbraw/zinc/23/96/73/423239673.db2.gz DMDMHTUQZQNJBU-MRVPVSSYSA-N 1 0 319.224 1.363 10 0 DDAERO CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](CC)C2)cc1 ZINC000194148712 263505838 /nfs/dbraw/zinc/50/58/38/263505838.db2.gz NVROXFSRBNFBPQ-CQSZACIVSA-N 1 0 319.405 1.624 10 0 DDAERO CC(C)[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CCS1 ZINC000653102127 423311948 /nfs/dbraw/zinc/31/19/48/423311948.db2.gz 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DDAERO Cc1cnc(N2CCO[C@@H](C[NH+](C)C)C2)c(Br)c1 ZINC000194317883 539262544 /nfs/dbraw/zinc/26/25/44/539262544.db2.gz VRFKNOGGXHEAQA-NSHDSACASA-N 1 0 314.227 1.919 10 0 DDAERO NNc1cc(S(=O)(=O)Nc2c(F)cc(F)cc2F)cc[nH+]1 ZINC000088722819 185263433 /nfs/dbraw/zinc/26/34/33/185263433.db2.gz PXAVAQBULPRFOM-UHFFFAOYSA-N 1 0 318.280 1.585 10 0 DDAERO CC(C)(C(N)=S)[NH+]1CCN(C(=O)CCC(F)(F)F)CC1 ZINC000088833806 185266493 /nfs/dbraw/zinc/26/64/93/185266493.db2.gz PNKWPKUAJCAQHC-UHFFFAOYSA-N 1 0 311.373 1.538 10 0 DDAERO CNC(=O)[C@@H]1CCCN1C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000245779446 539268746 /nfs/dbraw/zinc/26/87/46/539268746.db2.gz HKQMDSRFOSLXNQ-CABCVRRESA-N 1 0 324.469 1.419 10 0 DDAERO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248156675 539271606 /nfs/dbraw/zinc/27/16/06/539271606.db2.gz RKTDJGNODDHDBC-DOTOQJQBSA-N 1 0 320.437 1.006 10 0 DDAERO C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)C1 ZINC000248126744 539271651 /nfs/dbraw/zinc/27/16/51/539271651.db2.gz 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185290168 /nfs/dbraw/zinc/29/01/68/185290168.db2.gz LQATYZXXVFPLIS-UHFFFAOYSA-N 1 0 304.419 1.493 10 0 DDAERO Brc1cccc(CN2CCN(C3C[NH2+]C3)CC2)c1 ZINC000090306607 185290297 /nfs/dbraw/zinc/29/02/97/185290297.db2.gz NKCGNAMFVRLYQB-UHFFFAOYSA-N 1 0 310.239 1.539 10 0 DDAERO CCCS(=O)(=O)c1ccc(N[C@@H]2[C@@H]([NH3+])C[C@@H]2OCC)cc1 ZINC000090313515 185290769 /nfs/dbraw/zinc/29/07/69/185290769.db2.gz CQZDVMAWQFHKLM-SOUVJXGZSA-N 1 0 312.435 1.787 10 0 DDAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1c1ccc(S(=O)(=O)CC)cc1 ZINC000090334229 185291488 /nfs/dbraw/zinc/29/14/88/185291488.db2.gz OVTSUOZECIRHLY-UHOFOFEASA-N 1 0 308.447 1.914 10 0 DDAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cc(Cl)ccc1N(C)C ZINC000090489462 185298779 /nfs/dbraw/zinc/29/87/79/185298779.db2.gz FVIXECVRRKFHIC-WCQYABFASA-N 1 0 311.813 1.969 10 0 DDAERO [NH3+][C@H]1COC[C@@H]1C(=O)Nc1cc(Br)ccc1F ZINC000090379309 185293615 /nfs/dbraw/zinc/29/36/15/185293615.db2.gz JEAAICSTOIREQB-CBAPKCEASA-N 1 0 303.131 1.500 10 0 DDAERO 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Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1 ZINC000194145997 201185397 /nfs/dbraw/zinc/18/53/97/201185397.db2.gz AYUHRUOIYXWKQU-STQMWFEESA-N 1 0 302.378 1.024 10 0 DDAERO [NH3+][C@H]1CCCN(C(=O)CCc2nc(-c3ccsc3)no2)C1 ZINC000195114735 201340830 /nfs/dbraw/zinc/34/08/30/201340830.db2.gz ZURPIOQYDRUPHJ-NSHDSACASA-N 1 0 306.391 1.680 10 0 DDAERO CCC[NH2+]C[C@@](C)(O)COc1ccc(S(C)(=O)=O)cc1 ZINC000090824077 192938340 /nfs/dbraw/zinc/93/83/40/192938340.db2.gz CDPOWJLVOMVEFP-CQSZACIVSA-N 1 0 301.408 1.220 10 0 DDAERO Cc1cc(N2CCSC[C@H]2S(C)(=O)=O)ccc1CC[NH3+] ZINC000090924600 192948973 /nfs/dbraw/zinc/94/89/73/192948973.db2.gz PTKKVRDCIOZMRG-CQSZACIVSA-N 1 0 314.476 1.420 10 0 DDAERO CCC[NH2+][C@@](CSC[C@H](C)CO)(C(N)=O)c1ccccc1 ZINC000091258932 193027526 /nfs/dbraw/zinc/02/75/26/193027526.db2.gz AENUHZFJBMMTIC-CZUORRHYSA-N 1 0 310.463 1.728 10 0 DDAERO CCC(CC)[N@H+](CCOC)[C@H](CN)CC(=O)N(CC)CC ZINC000091322836 193039702 /nfs/dbraw/zinc/03/97/02/193039702.db2.gz 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/nfs/dbraw/zinc/14/78/76/193147876.db2.gz BUPPDVFPHXSSIS-GFCCVEGCSA-N 1 0 313.199 1.742 10 0 DDAERO CN1CCO[C@@H](COc2ccc(C[NH3+])cc2C(F)(F)F)C1 ZINC000092054595 193149957 /nfs/dbraw/zinc/14/99/57/193149957.db2.gz XMWDEKPDXBAYIZ-LLVKDONJSA-N 1 0 304.312 1.874 10 0 DDAERO CCC[NH2+]Cc1[nH]nc(C)c1S(=O)(=O)N1C[C@H](C)[C@H](C)C1 ZINC000092113928 193161087 /nfs/dbraw/zinc/16/10/87/193161087.db2.gz JLPCXWBWTSLNKL-PHIMTYICSA-N 1 0 314.455 1.494 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000092115487 193163545 /nfs/dbraw/zinc/16/35/45/193163545.db2.gz NGVHPSHDZYHSRL-GHMZBOCLSA-N 1 0 316.398 1.343 10 0 DDAERO C[C@@H](NC(N)=O)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000176124386 296110355 /nfs/dbraw/zinc/11/03/55/296110355.db2.gz MEOFQGBJFFRDEJ-CYBMUJFWSA-N 1 0 318.421 1.166 10 0 DDAERO CC(C)Oc1cccc([C@H](O)CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)c1 ZINC000261628829 203082772 /nfs/dbraw/zinc/08/27/72/203082772.db2.gz CTSLLXREFHAUHA-OAGGEKHMSA-N 1 0 322.405 1.130 10 0 DDAERO O=C(c1ccc(-c2ncon2)cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261782885 203116210 /nfs/dbraw/zinc/11/62/10/203116210.db2.gz LGDNIRGHAABTPY-UHFFFAOYSA-N 1 0 312.373 1.952 10 0 DDAERO [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@H](O)c2ccc3ccccc3c2)O1 ZINC000261820594 203125379 /nfs/dbraw/zinc/12/53/79/203125379.db2.gz PJWHJHWNLCELFP-IKGGRYGDSA-N 1 0 314.385 1.496 10 0 DDAERO CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261901799 203147821 /nfs/dbraw/zinc/14/78/21/203147821.db2.gz WNJAUDNGWLDALE-DOMZBBRYSA-N 1 0 319.405 1.517 10 0 DDAERO C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000262008228 203172329 /nfs/dbraw/zinc/17/23/29/203172329.db2.gz NXJBHEHNQONAAO-LBVBVRPMSA-N 1 0 324.446 1.450 10 0 DDAERO COCC[NH2+]C[C@H](c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000093138007 193207368 /nfs/dbraw/zinc/20/73/68/193207368.db2.gz LHQSSEAXQUWDID-HZPDHXFCSA-N 1 0 311.447 1.749 10 0 DDAERO CN[C@H](C(=O)NCc1ccc(C)c(OC)c1)c1cnn(C)c1 ZINC000262259353 203242523 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CCS(=O)(=O)[C@@H]1CSCCN1CC1CCC(C[NH3+])CC1 ZINC000093426498 193250118 /nfs/dbraw/zinc/25/01/18/193250118.db2.gz OCPLECBJAOUUIX-JXQTWKCFSA-N 1 0 320.524 1.561 10 0 DDAERO CCNS(=O)(=O)c1ccccc1N[C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000093463948 193256437 /nfs/dbraw/zinc/25/64/37/193256437.db2.gz PQTXYXDEHLXPHT-OLZOCXBDSA-N 1 0 311.451 1.927 10 0 DDAERO C[NH2+][C@]1(C(N)=O)CCC[C@H]1CCn1ccc(C(F)(F)F)n1 ZINC000093598783 193272197 /nfs/dbraw/zinc/27/21/97/193272197.db2.gz PIEXJOOMZDOBPT-JOYOIKCWSA-N 1 0 304.316 1.536 10 0 DDAERO CS(=O)(=O)c1cccc(OCC[C@@H]2CCC[C@@]2([NH3+])CO)c1 ZINC000093621839 193275793 /nfs/dbraw/zinc/27/57/93/193275793.db2.gz CHTXYWVEHFPYHM-SWLSCSKDSA-N 1 0 313.419 1.349 10 0 DDAERO CCC(CC)([C@@H](O)C[C@@H]1CCCN(S(C)(=O)=O)C1)[NH+](C)C ZINC000093699742 193293529 /nfs/dbraw/zinc/29/35/29/193293529.db2.gz HUKBAUPRFJHLPN-KBPBESRZSA-N 1 0 320.499 1.529 10 0 DDAERO CC[C@@H](C[NH2+]CCOC)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701582 193295123 /nfs/dbraw/zinc/29/51/23/193295123.db2.gz CEBLVYREPLYRIR-ZIAGYGMSSA-N 1 0 306.472 1.310 10 0 DDAERO NC(=O)[C@]1([NH3+])CCC[C@@H](Sc2ncnc3ccccc32)C1 ZINC000093778570 193306706 /nfs/dbraw/zinc/30/67/06/193306706.db2.gz VYPIYQUMODWXOB-BMIGLBTASA-N 1 0 302.403 1.847 10 0 DDAERO CC(C)OCCS(=O)(=O)N1CCC(C[NH2+]C(C)(C)C)CC1 ZINC000093667716 193287550 /nfs/dbraw/zinc/28/75/50/193287550.db2.gz GXBKSMADDMOPQJ-UHFFFAOYSA-N 1 0 320.499 1.841 10 0 DDAERO C[C@@H]1CCCN(S(=O)(=O)NC2C(C)(C)C([NH3+])C2(C)C)C1 ZINC000094006446 193338635 /nfs/dbraw/zinc/33/86/35/193338635.db2.gz YORSJJUZERZTTD-VOMCLLRMSA-N 1 0 303.472 1.315 10 0 DDAERO NC(=O)[C@]1([NH2+]C2CC2)CC[C@@H](n2cc(C(F)(F)F)cn2)C1 ZINC000093834073 193314460 /nfs/dbraw/zinc/31/44/60/193314460.db2.gz YLRBAQSCXUMGPU-PWSUYJOCSA-N 1 0 302.300 1.603 10 0 DDAERO CN(CC(=O)NCCSc1ccccc1)CC(C)(C)C[NH3+] ZINC000093874084 193322588 /nfs/dbraw/zinc/32/25/88/193322588.db2.gz OMGAQOVLXRCAIR-UHFFFAOYSA-N 1 0 309.479 1.812 10 0 DDAERO CCN1CCO[C@H](c2noc(-c3sc(C[NH3+])nc3C)n2)C1 ZINC000093897122 193325337 /nfs/dbraw/zinc/32/53/37/193325337.db2.gz SOEVOWSAVSKUMM-VIFPVBQESA-N 1 0 309.395 1.353 10 0 DDAERO CC(C)[C@H]1CCC[C@](C[NH3+])(N(C)CCS(C)(=O)=O)CC1 ZINC000094297711 193356874 /nfs/dbraw/zinc/35/68/74/193356874.db2.gz CASWEWHGYUCVCF-GJZGRUSLSA-N 1 0 304.500 1.897 10 0 DDAERO CCC[NH2+]Cc1cc(CN(C)CCS(C)(=O)=O)c(C)o1 ZINC000094300818 193358545 /nfs/dbraw/zinc/35/85/45/193358545.db2.gz TXJZZBIIPSKWHI-UHFFFAOYSA-N 1 0 302.440 1.564 10 0 DDAERO CCN1CCO[C@@H](COc2c(F)cc(CC[NH3+])cc2F)C1 ZINC000094349790 193363457 /nfs/dbraw/zinc/36/34/57/193363457.db2.gz AQDDVXZFTQXABO-GFCCVEGCSA-N 1 0 300.349 1.566 10 0 DDAERO CCC[C@H](C(=O)N[C@@H]1COc2c(cccc2OC)C1)[NH+](C)C ZINC000094106082 193345649 /nfs/dbraw/zinc/34/56/49/193345649.db2.gz YTUKVYIMKQDNJD-UONOGXRCSA-N 1 0 306.406 1.845 10 0 DDAERO CC[C@](C)([NH3+])C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000094236855 193353440 /nfs/dbraw/zinc/35/34/40/193353440.db2.gz HCNKIZMIDYWVAZ-AWEZNQCLSA-N 1 0 313.423 1.311 10 0 DDAERO Cc1cc(Cl)c(S(=O)(=O)NC[C@H](C)[NH+](C)C)cc1N ZINC000094638321 193388037 /nfs/dbraw/zinc/38/80/37/193388037.db2.gz UYTCDXMSXNPLGN-VIFPVBQESA-N 1 0 305.831 1.459 10 0 DDAERO C[NH2+]CCc1c(C)nn([C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1C ZINC000094644418 193389551 /nfs/dbraw/zinc/38/95/51/193389551.db2.gz YRRWBXAMMUTOEI-UONOGXRCSA-N 1 0 313.467 1.790 10 0 DDAERO CN1CCO[C@H](C[NH2+][C@@H]2CCOC3(CCSCC3)C2)C1 ZINC000094374882 193366632 /nfs/dbraw/zinc/36/66/32/193366632.db2.gz GWLPJUGUCMAXDV-ZIAGYGMSSA-N 1 0 300.468 1.351 10 0 DDAERO CS(=O)(=O)CCN1CC2(CCCC2)[NH2+]Cc2ccccc21 ZINC000094421091 193368781 /nfs/dbraw/zinc/36/87/81/193368781.db2.gz KWSVGDRCZAAOAP-UHFFFAOYSA-N 1 0 308.447 1.954 10 0 DDAERO CC[NH2+]CCCCS(=O)(=O)N1C[C@@H]2CCCCN2C[C@@H]1C ZINC000094445774 193371986 /nfs/dbraw/zinc/37/19/86/193371986.db2.gz OLFQXAANQDYCGC-GJZGRUSLSA-N 1 0 317.499 1.265 10 0 DDAERO C[C@H]1C[C@H]([NH3+])CN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000094550414 193378909 /nfs/dbraw/zinc/37/89/09/193378909.db2.gz UGNXSQRDTUHRGQ-IUCAKERBSA-N 1 0 306.790 1.837 10 0 DDAERO CCC[NH2+][C@@H](CCCS(C)(=O)=O)Cc1ccc(OC)nc1 ZINC000094633273 193385037 /nfs/dbraw/zinc/38/50/37/193385037.db2.gz STDDNJCCAXEWSY-AWEZNQCLSA-N 1 0 314.451 1.826 10 0 DDAERO Cc1cc(F)c(N)cc1S(=O)(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000094779510 193396741 /nfs/dbraw/zinc/39/67/41/193396741.db2.gz MBUMLEGBHARDDC-CYBMUJFWSA-N 1 0 317.430 1.581 10 0 DDAERO CC(C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000016518539 182048460 /nfs/dbraw/zinc/04/84/60/182048460.db2.gz YLFOZQQSOLBZCN-GHMZBOCLSA-N 1 0 313.423 1.295 10 0 DDAERO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)Nc1cccc2ccccc21 ZINC000020563496 182232131 /nfs/dbraw/zinc/23/21/31/182232131.db2.gz WNBZCGOKWUGQSJ-CYBMUJFWSA-N 1 0 306.387 1.540 10 0 DDAERO CCSCC[C@@H](C)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000173624855 248345444 /nfs/dbraw/zinc/34/54/44/248345444.db2.gz VKSJCCXFARXOQF-ZIAGYGMSSA-N 1 0 317.499 1.664 10 0 DDAERO CN(C)CC[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000037851786 182931846 /nfs/dbraw/zinc/93/18/46/182931846.db2.gz XOICAFZAHOZZBH-JTQLQIEISA-N 1 0 307.221 1.884 10 0 DDAERO CC(=O)c1cccc(S(=O)(=O)NC[C@@H](C(C)C)[NH+](C)C)c1 ZINC000040429978 183066024 /nfs/dbraw/zinc/06/60/24/183066024.db2.gz HOXBRLVPHYPZPF-HNNXBMFYSA-N 1 0 312.435 1.754 10 0 DDAERO CCc1nc(CN2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)cs1 ZINC000040508431 183085984 /nfs/dbraw/zinc/08/59/84/183085984.db2.gz GMBOUGPZVINTQN-CYBMUJFWSA-N 1 0 308.451 1.102 10 0 DDAERO Cc1n[nH]cc1S(=O)(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040670927 183115605 /nfs/dbraw/zinc/11/56/05/183115605.db2.gz ZKWKPFRVNAVEAX-BXUZGUMPSA-N 1 0 314.455 1.507 10 0 DDAERO C[C@@H]1CCN(C(=O)NCCc2cn3c(n2)SCC3)[C@@H](C[NH3+])C1 ZINC000333835498 249122239 /nfs/dbraw/zinc/12/22/39/249122239.db2.gz UFIMDXMARQOTOH-DGCLKSJQSA-N 1 0 323.466 1.300 10 0 DDAERO CCOc1ccc([C@H](CNS(C)(=O)=O)[NH+]2CCCC2)cc1 ZINC000040614652 183109001 /nfs/dbraw/zinc/10/90/01/183109001.db2.gz OAFKAKMTHQSOEC-HNNXBMFYSA-N 1 0 312.435 1.771 10 0 DDAERO CC(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(F)c(N)c2)C1 ZINC000040620983 183109539 /nfs/dbraw/zinc/10/95/39/183109539.db2.gz UDWDDXWYOUYCMY-LLVKDONJSA-N 1 0 315.414 1.417 10 0 DDAERO Cc1ccc(N)cc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040620919 183109831 /nfs/dbraw/zinc/10/98/31/183109831.db2.gz YDTBUUMEZQKPMH-ZDUSSCGKSA-N 1 0 311.451 1.586 10 0 DDAERO O=S(=O)(Nc1cccc(-n2cccc2)c1)N1CC[NH2+]CC1 ZINC000040861070 183143727 /nfs/dbraw/zinc/14/37/27/183143727.db2.gz ABGIQAXDOAURKY-UHFFFAOYSA-N 1 0 306.391 1.039 10 0 DDAERO O=C(C[C@@H]1CCC[NH2+]1)Nc1cc(-n2cnnn2)ccc1Cl ZINC000042166939 183238468 /nfs/dbraw/zinc/23/84/68/183238468.db2.gz OQJGRUPCJCXDID-VIFPVBQESA-N 1 0 306.757 1.396 10 0 DDAERO NC(=O)CCOc1c(Br)cccc1C[NH2+]C1CC1 ZINC000042411960 183265973 /nfs/dbraw/zinc/26/59/73/183265973.db2.gz PUSPAUWAYBQVKE-UHFFFAOYSA-N 1 0 313.195 1.955 10 0 DDAERO CCCNS(=O)(=O)c1ccccc1N(CC)C[C@@H](C)C[NH3+] ZINC000042442384 183270967 /nfs/dbraw/zinc/27/09/67/183270967.db2.gz NVVYBPSRSOUBCH-ZDUSSCGKSA-N 1 0 313.467 1.796 10 0 DDAERO COCCN(CC(C)C)S(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000042370885 183260124 /nfs/dbraw/zinc/26/01/24/183260124.db2.gz DAZANKVEWYZFBL-ZDUSSCGKSA-N 1 0 314.451 1.999 10 0 DDAERO [NH3+]CCCN1CCCN(c2ncccc2Br)CC1 ZINC000042375910 183262076 /nfs/dbraw/zinc/26/20/76/183262076.db2.gz JXMCKCNBVGLBCQ-UHFFFAOYSA-N 1 0 313.243 1.705 10 0 DDAERO CC[C@H](C)N(CCOC)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000042594182 183289374 /nfs/dbraw/zinc/28/93/74/183289374.db2.gz PKMMGDCPSMVMGI-NSHDSACASA-N 1 0 320.480 1.685 10 0 DDAERO COCCN([C@@H](C)C1CC1)S(=O)(=O)c1ccccc1C[NH3+] ZINC000042680568 183296545 /nfs/dbraw/zinc/29/65/45/183296545.db2.gz JDBKBORLTLHYFP-LBPRGKRZSA-N 1 0 312.435 1.581 10 0 DDAERO C[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N(C)CC(N)=O ZINC000042953042 183321933 /nfs/dbraw/zinc/32/19/33/183321933.db2.gz CIQXMIKBCJROPZ-PRHODGIISA-N 1 0 300.200 1.255 10 0 DDAERO CCN(CC(=O)NC)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042953414 183322377 /nfs/dbraw/zinc/32/23/77/183322377.db2.gz 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ZINC000043412606 183360626 /nfs/dbraw/zinc/36/06/26/183360626.db2.gz URQBDWRQDZESEO-NSHDSACASA-N 1 0 300.424 1.358 10 0 DDAERO C[NH2+][C@H]1CCC2(C[C@@H]1N(CC(F)(F)F)C1CC1)OCCO2 ZINC000043982675 183391797 /nfs/dbraw/zinc/39/17/97/183391797.db2.gz SHGKOEJDDXYPSV-RYUDHWBXSA-N 1 0 308.344 1.897 10 0 DDAERO [NH3+]CCc1ccc(S(=O)(=O)N(CC(F)(F)F)C2CC2)cc1 ZINC000044594641 183426270 /nfs/dbraw/zinc/42/62/70/183426270.db2.gz MQFGOAACPUOGSX-UHFFFAOYSA-N 1 0 322.352 1.903 10 0 DDAERO C[C@H](NS(=O)(=O)c1ccc(CC[NH3+])cc1)c1ccccn1 ZINC000044594406 183426292 /nfs/dbraw/zinc/42/62/92/183426292.db2.gz KMNYPASJGWTKCG-LBPRGKRZSA-N 1 0 305.403 1.622 10 0 DDAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)NC[C@H]2CCCOC2)cc1 ZINC000044934344 183460772 /nfs/dbraw/zinc/46/07/72/183460772.db2.gz HDOXCEZHZWTYNV-CHWSQXEVSA-N 1 0 312.435 1.672 10 0 DDAERO Cc1cc(C)cc(OCCNC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000104791772 194040340 /nfs/dbraw/zinc/04/03/40/194040340.db2.gz OYRPVJPSDFNYGU-INIZCTEOSA-N 1 0 321.421 1.312 10 0 DDAERO O=C(CCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)N1CCCCC1 ZINC000105123516 194075618 /nfs/dbraw/zinc/07/56/18/194075618.db2.gz VSCTZWHQKTXAKK-OAHLLOKOSA-N 1 0 322.453 1.269 10 0 DDAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000105325347 194096904 /nfs/dbraw/zinc/09/69/04/194096904.db2.gz ZNYAGUOHOYQEQI-ZFWWWQNUSA-N 1 0 318.421 1.749 10 0 DDAERO COCC[N@@H+]1CCN(C[C@H](O)c2ccc(F)cc2F)C[C@H]1C ZINC000105833822 194141237 /nfs/dbraw/zinc/14/12/37/194141237.db2.gz YPZYMPSODJJCRN-WBMJQRKESA-N 1 0 314.376 1.651 10 0 DDAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)CC2 ZINC000105874048 194153580 /nfs/dbraw/zinc/15/35/80/194153580.db2.gz RPTPKNDQNARLQZ-HIFRSBDPSA-N 1 0 313.405 1.533 10 0 DDAERO O=S(=O)(CC[C@@H]1CCCC[NH2+]1)NCCc1ccsc1 ZINC000049645655 183751856 /nfs/dbraw/zinc/75/18/56/183751856.db2.gz FFAPQSPSINKHKE-ZDUSSCGKSA-N 1 0 302.465 1.742 10 0 DDAERO [NH3+]C[C@H]1CCN(CC(=O)c2sccc2Br)C1 ZINC000050250408 183779498 /nfs/dbraw/zinc/77/94/98/183779498.db2.gz 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ZINC000111179776 194399441 /nfs/dbraw/zinc/39/94/41/194399441.db2.gz GLYYAEDMWHBXCU-UHFFFAOYSA-N 1 0 312.435 1.453 10 0 DDAERO CS(=O)(=O)C[C@H]([NH3+])Cc1cc(F)ccc1Br ZINC000060705319 184154636 /nfs/dbraw/zinc/15/46/36/184154636.db2.gz UPXJJQVQERAUAA-SECBINFHSA-N 1 0 310.188 1.503 10 0 DDAERO Cc1nc2ccc(NC(=O)CN3CCC[NH2+]CC3)cc2s1 ZINC000061270402 184167305 /nfs/dbraw/zinc/16/73/05/184167305.db2.gz OKNDQLLTLRCKBF-UHFFFAOYSA-N 1 0 304.419 1.839 10 0 DDAERO C[NH2+]C(C)(C)C(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000061316384 184168510 /nfs/dbraw/zinc/16/85/10/184168510.db2.gz IFMSDLFQUFNXBB-UHFFFAOYSA-N 1 0 306.334 1.619 10 0 DDAERO Nc1cc(Cl)c(NC(=O)CC[N@@H+]2CC[C@H](O)C2)c(Cl)c1 ZINC000061709655 184184863 /nfs/dbraw/zinc/18/48/63/184184863.db2.gz GNOQGCMCRPOLAN-VIFPVBQESA-N 1 0 318.204 1.971 10 0 DDAERO C[C@H]([NH3+])[C@@H](c1cccnc1)N1CCN(CC(F)(F)F)CC1 ZINC000061940856 184197265 /nfs/dbraw/zinc/19/72/65/184197265.db2.gz KVXQHIFEEFGAIE-AAEUAGOBSA-N 1 0 302.344 1.650 10 0 DDAERO C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000061950896 184198540 /nfs/dbraw/zinc/19/85/40/184198540.db2.gz NARXXHSWWDZNSG-GRYCIOLGSA-N 1 0 307.360 1.456 10 0 DDAERO NC(=O)[C@]1(Nc2ccccc2Br)CC[N@@H+](C2CC2)C1 ZINC000061991015 184199639 /nfs/dbraw/zinc/19/96/39/184199639.db2.gz WCVKLUCDCNXDIL-AWEZNQCLSA-N 1 0 324.222 1.953 10 0 DDAERO NC(=O)[C@@]1(Nc2ccc(Br)cc2)CC[N@@H+](C2CC2)C1 ZINC000061991018 184199715 /nfs/dbraw/zinc/19/97/15/184199715.db2.gz CTKDODURVPWDOB-CQSZACIVSA-N 1 0 324.222 1.953 10 0 DDAERO C[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000062037923 184202963 /nfs/dbraw/zinc/20/29/63/184202963.db2.gz XGNMJXDFQHHFSV-FZMZJTMJSA-N 1 0 300.399 1.428 10 0 DDAERO C[C@@H](CNS(=O)(=O)c1cc(N)cs1)C[NH+]1CCCC1 ZINC000062069448 184204581 /nfs/dbraw/zinc/20/45/81/184204581.db2.gz PJXUUHBDGAXVNZ-JTQLQIEISA-N 1 0 303.453 1.341 10 0 DDAERO Cc1ccc([C@@H]([C@H](C)[NH3+])N2CCN(S(C)(=O)=O)CC2)s1 ZINC000062081668 184205050 /nfs/dbraw/zinc/20/50/50/184205050.db2.gz QHSMAKWHIAWBPN-WCQYABFASA-N 1 0 317.480 1.022 10 0 DDAERO CCNS(=O)(=O)NC[C@@H](c1ccccc1C)[NH+]1CCCC1 ZINC000062370301 184233090 /nfs/dbraw/zinc/23/30/90/184233090.db2.gz MMCQKNWUXPMYGI-HNNXBMFYSA-N 1 0 311.451 1.576 10 0 DDAERO COCC[NH2+]Cc1cc(Cl)cc(Cl)c1O[C@H](C)C(N)=O ZINC000062733005 184251456 /nfs/dbraw/zinc/25/14/56/184251456.db2.gz IDPLCXFHOKDWIJ-MRVPVSSYSA-N 1 0 321.204 1.982 10 0 DDAERO COCC[NH2+]Cc1cc(Br)ccc1OCCCO ZINC000062730180 184251557 /nfs/dbraw/zinc/25/15/57/184251557.db2.gz NRZRTHGQYXBIKX-UHFFFAOYSA-N 1 0 318.211 1.946 10 0 DDAERO COC(=O)C[C@@H](NC(=O)C1(C)CC[NH2+]CC1)c1cccs1 ZINC000062840246 184255680 /nfs/dbraw/zinc/25/56/80/184255680.db2.gz PBVMMJLLWQJDSP-LLVKDONJSA-N 1 0 310.419 1.858 10 0 DDAERO C[C@]1(C(=O)Nc2cccc(Cl)c2-n2cncn2)CC[NH2+]C1 ZINC000062893189 184258912 /nfs/dbraw/zinc/25/89/12/184258912.db2.gz ABLFHZOFZFZWJQ-AWEZNQCLSA-N 1 0 305.769 1.859 10 0 DDAERO CCC[C@@]1(C(=O)N2CCSC[C@H]2C(=O)OCC)CC[NH2+]C1 ZINC000062894854 184258965 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CC1CCC(C[NH3+])(N(C)S(=O)(=O)C[C@@H]2CCCO2)CC1 ZINC000063154974 184274194 /nfs/dbraw/zinc/27/41/94/184274194.db2.gz JGSVVKNBHVVPFV-MOKVOYLWSA-N 1 0 304.456 1.335 10 0 DDAERO [NH3+][C@H]1CCC[C@@H]1NS(=O)(=O)c1cncc(Br)c1 ZINC000063176422 184276515 /nfs/dbraw/zinc/27/65/15/184276515.db2.gz PBUBJOUPMYXENJ-UWVGGRQHSA-N 1 0 320.212 1.002 10 0 DDAERO [NH3+][C@H]1CCC[C@@H]1N1C(=O)c2ccc(Br)cc2C1=O ZINC000063178168 184276627 /nfs/dbraw/zinc/27/66/27/184276627.db2.gz OKUWKVRMDKNTOY-QWRGUYRKSA-N 1 0 309.163 1.925 10 0 DDAERO [NH3+]Cc1cn(C2CCN(C(=O)CCc3cccs3)CC2)nn1 ZINC000063855423 184289569 /nfs/dbraw/zinc/28/95/69/184289569.db2.gz KAFWKPUHTMCOMS-UHFFFAOYSA-N 1 0 319.434 1.595 10 0 DDAERO Cc1noc(C)c1CCNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000120097330 195095829 /nfs/dbraw/zinc/09/58/29/195095829.db2.gz DTCGDONGALPVFX-NHYWBVRUSA-N 1 0 308.426 1.862 10 0 DDAERO CC(C)[N@H+]1C[C@H](NC(=O)Cc2cn3ccccc3n2)[C@@H](C)C1 ZINC000158950176 197313317 /nfs/dbraw/zinc/31/33/17/197313317.db2.gz 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10 0 DDAERO CCOC(C)(C)CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000249049260 282129118 /nfs/dbraw/zinc/12/91/18/282129118.db2.gz AAXQBOJFELCBNU-KBPBESRZSA-N 1 0 315.458 1.288 10 0 DDAERO Fc1cc(F)cc(CN2CC[NH+](CCn3ccnc3)CC2)c1 ZINC000077120251 185110313 /nfs/dbraw/zinc/11/03/13/185110313.db2.gz WBKQKOOJYMOOOM-UHFFFAOYSA-N 1 0 306.360 1.979 10 0 DDAERO C[NH2+][C@H](CS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CC1 ZINC000081936096 192342537 /nfs/dbraw/zinc/34/25/37/192342537.db2.gz PLPHDWCNYRPRGS-CYBMUJFWSA-N 1 0 311.403 1.620 10 0 DDAERO CN(C)[C@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000116787419 282138938 /nfs/dbraw/zinc/13/89/38/282138938.db2.gz QBCQFWYEVOMQKG-HOTGVXAUSA-N 1 0 305.422 1.078 10 0 DDAERO C[NH2+][C@H]1CCC[C@H]1S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000081936127 192343228 /nfs/dbraw/zinc/34/32/28/192343228.db2.gz FTPGINPKPFQFMB-SWLSCSKDSA-N 1 0 311.403 1.762 10 0 DDAERO C[N@H+](C[C@@H](O)COC(C)(C)C)C[C@H]1COc2ccccc2O1 ZINC000249379239 282146937 /nfs/dbraw/zinc/14/69/37/282146937.db2.gz OHELNNRAJCOXMF-KGLIPLIRSA-N 1 0 309.406 1.934 10 0 DDAERO CCC[C@H]1CCCN(CC[NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000079412943 185170269 /nfs/dbraw/zinc/17/02/69/185170269.db2.gz ZAEOFHYGZVGDJW-LSDHHAIUSA-N 1 0 302.484 1.665 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC000249551311 282170874 /nfs/dbraw/zinc/17/08/74/282170874.db2.gz IBCYLRHOCUMZHF-KBPBESRZSA-N 1 0 311.470 1.870 10 0 DDAERO CCCc1nnsc1C(=O)Nc1nc2c(s1)C[NH2+]CC2 ZINC000087455271 185225586 /nfs/dbraw/zinc/22/55/86/185225586.db2.gz FWRUYYPOUFLSSJ-UHFFFAOYSA-N 1 0 309.420 1.845 10 0 DDAERO CC(C)[C@@H](C[NH3+])C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000087517847 185227500 /nfs/dbraw/zinc/22/75/00/185227500.db2.gz LVNGQNLWQCJVSE-SNVBAGLBSA-N 1 0 318.826 1.913 10 0 DDAERO CC(C)[C@H](C[NH3+])C(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000087521858 185227769 /nfs/dbraw/zinc/22/77/69/185227769.db2.gz ZHVHAIRSZUMZFG-VIFPVBQESA-N 1 0 320.361 1.852 10 0 DDAERO O=S1(=O)CC[C@H]([NH2+]CCc2c[nH]cn2)c2cc(F)ccc21 ZINC000087544000 185227979 /nfs/dbraw/zinc/22/79/79/185227979.db2.gz FRLXPWLHUADTLO-ZDUSSCGKSA-N 1 0 309.366 1.600 10 0 DDAERO CN(Cc1ccccc1Br)C(=O)CN1CC([NH3+])C1 ZINC000087590185 185229134 /nfs/dbraw/zinc/22/91/34/185229134.db2.gz UAICJRMLLDMWRC-UHFFFAOYSA-N 1 0 312.211 1.050 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN(c2nc(C3CC3)ns2)CC1 ZINC000087639961 185229736 /nfs/dbraw/zinc/22/97/36/185229736.db2.gz KYSMJCVJZQLEMQ-SNVBAGLBSA-N 1 0 311.480 1.602 10 0 DDAERO [NH3+]CCNS(=O)(=O)c1cc(Cl)c(Br)s1 ZINC000087665485 185230155 /nfs/dbraw/zinc/23/01/55/185230155.db2.gz SJPVBUIEOSKNMO-UHFFFAOYSA-N 1 0 319.633 1.401 10 0 DDAERO CNC(=O)[C@@H]1CCCN1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000155836954 539210001 /nfs/dbraw/zinc/21/00/01/539210001.db2.gz PNAVACWULKHBHJ-LSDHHAIUSA-N 1 0 324.469 1.417 10 0 DDAERO C[C@H](C[NH3+])S(=O)(=O)Cc1cc(Br)ccc1F ZINC000088068743 185238657 /nfs/dbraw/zinc/23/86/57/185238657.db2.gz HTWQXGIIEUHQIM-SSDOTTSWSA-N 1 0 310.188 1.850 10 0 DDAERO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2cccnc2N)CC1 ZINC000088070820 185238912 /nfs/dbraw/zinc/23/89/12/185238912.db2.gz VQBBPUPUUMVEER-UHFFFAOYSA-N 1 0 312.439 1.157 10 0 DDAERO Cc1cccc(CNc2nc(NN)[nH+]cc2Br)n1 ZINC000087869210 185234034 /nfs/dbraw/zinc/23/40/34/185234034.db2.gz BOFSVZTUXJIKOB-UHFFFAOYSA-N 1 0 309.171 1.840 10 0 DDAERO CCc1nn(C)cc1C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000180080272 539235290 /nfs/dbraw/zinc/23/52/90/539235290.db2.gz IYEDOJRCRHOVJO-UHFFFAOYSA-N 1 0 314.437 1.873 10 0 DDAERO CCc1nn(C)cc1C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000180079219 539235345 /nfs/dbraw/zinc/23/53/45/539235345.db2.gz RYLYRZMDAFWTAE-OAHLLOKOSA-N 1 0 314.437 1.873 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2cnn(CC3CC3)c2)CCO1 ZINC000181223891 539237683 /nfs/dbraw/zinc/23/76/83/539237683.db2.gz IOALCDQDZQZVIX-AWEZNQCLSA-N 1 0 307.398 1.087 10 0 DDAERO O=C(CN1CC[NH2+]CC1)Nc1c2nsnc2ccc1Cl ZINC000088126492 185240313 /nfs/dbraw/zinc/24/03/13/185240313.db2.gz BPNWCTBLDKGURC-UHFFFAOYSA-N 1 0 311.798 1.188 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1C)C(C)C ZINC000183670732 539243140 /nfs/dbraw/zinc/24/31/40/539243140.db2.gz GNEKBVILTHLBKE-CQSZACIVSA-N 1 0 311.813 1.947 10 0 DDAERO CC(C)C[C@H](C[NH3+])CC(=O)NCCCOC[C@@H]1CCCO1 ZINC000088277973 185244668 /nfs/dbraw/zinc/24/46/68/185244668.db2.gz NNFVZUVMHXXRDU-GJZGRUSLSA-N 1 0 300.443 1.699 10 0 DDAERO CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccccn2)CC[N@@H+]1C[C@@H](C)O ZINC000184709103 539244600 /nfs/dbraw/zinc/24/46/00/539244600.db2.gz ZIKWDUQVJIJSPO-QLFBSQMISA-N 1 0 320.437 1.629 10 0 DDAERO C[C@H]([NH2+]CC(=O)NCCCOC1CCCCC1)[C@H]1CCCO1 ZINC000183124532 539241013 /nfs/dbraw/zinc/24/10/13/539241013.db2.gz SVWJCFDLPCONIN-GOEBONIOSA-N 1 0 312.454 1.999 10 0 DDAERO CCOC(=O)CS(=O)(=O)[C@@H](C(C)C)[C@@H]([NH3+])c1ccccc1 ZINC000081977072 192348655 /nfs/dbraw/zinc/34/86/55/192348655.db2.gz HGOZYDLJIQPABN-GJZGRUSLSA-N 1 0 313.419 1.689 10 0 DDAERO CCOCc1ccccc1CNC(=O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183138405 539241273 /nfs/dbraw/zinc/24/12/73/539241273.db2.gz GSCMUVYSCHDDLV-RHSMWYFYSA-N 1 0 320.433 1.996 10 0 DDAERO CCCCc1nc(Cl)c(C[NH2+]CCCS(N)(=O)=O)[nH]1 ZINC000088399162 185248382 /nfs/dbraw/zinc/24/83/82/185248382.db2.gz KPKIUJNMBUZSEH-UHFFFAOYSA-N 1 0 308.835 1.174 10 0 DDAERO CN(CCC(F)(F)F)S(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000088419131 185249578 /nfs/dbraw/zinc/24/95/78/185249578.db2.gz QIXHVBOOTLUWEJ-UHFFFAOYSA-N 1 0 314.304 1.857 10 0 DDAERO O=S(=O)(C1CC[NH2+]CC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000088433036 185249850 /nfs/dbraw/zinc/24/98/50/185249850.db2.gz HYHPPUMGLOIJNR-SECBINFHSA-N 1 0 300.346 1.343 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(CC)[C@@H](C)COC)o1 ZINC000088544088 185256853 /nfs/dbraw/zinc/25/68/53/185256853.db2.gz NJFKFHZWVYQEHU-NSHDSACASA-N 1 0 304.412 1.435 10 0 DDAERO CCN(CCOC)S(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000088544291 185256704 /nfs/dbraw/zinc/25/67/04/185256704.db2.gz ZRRNONSLBOLZEG-UHFFFAOYSA-N 1 0 318.439 1.682 10 0 DDAERO NC(=O)[C@H]1C[NH2+]CCN1Cc1sc2ccccc2c1Cl ZINC000088668569 185262284 /nfs/dbraw/zinc/26/22/84/185262284.db2.gz DSATXPLTWLAZAC-SNVBAGLBSA-N 1 0 309.822 1.814 10 0 DDAERO CC[C@@H]1CN(C(=O)N[C@H](C)[C@@H]2CCCO2)CC[N@@H+]1C[C@@H](C)O ZINC000248458747 539272021 /nfs/dbraw/zinc/27/20/21/539272021.db2.gz QPQYRYNYRCTBNB-TUVASFSCSA-N 1 0 313.442 1.041 10 0 DDAERO C[NH2+]C[C@H](Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000088790139 185265773 /nfs/dbraw/zinc/26/57/73/185265773.db2.gz RAARUGNXPYNJEP-RYUDHWBXSA-N 1 0 302.827 1.548 10 0 DDAERO Fc1c(F)c(F)c(N2CCN(C3C[NH2+]C3)CC2)c(F)c1F ZINC000090307949 185290268 /nfs/dbraw/zinc/29/02/68/185290268.db2.gz DKIJYAXDOKNYIT-UHFFFAOYSA-N 1 0 307.266 1.476 10 0 DDAERO Clc1cc(CN2CCN(C3C[NH2+]C3)CC2)cc2c1OCO2 ZINC000090307625 185290279 /nfs/dbraw/zinc/29/02/79/185290279.db2.gz FZFHKAWCZMYRKD-UHFFFAOYSA-N 1 0 309.797 1.158 10 0 DDAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NC(=O)c1cc(Br)cn1C ZINC000090311855 185290384 /nfs/dbraw/zinc/29/03/84/185290384.db2.gz RBCKEPWPQYFYRM-GDPRMGEGSA-N 1 0 316.199 1.022 10 0 DDAERO O=S(=O)(c1ccc2c(c1)CCCC2)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090322122 185290881 /nfs/dbraw/zinc/29/08/81/185290881.db2.gz QVWSQGAFSHYYMO-HUUCEWRRSA-N 1 0 306.431 1.405 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1CC(=O)Nc1cccnc1Cl ZINC000090337882 185291868 /nfs/dbraw/zinc/29/18/68/185291868.db2.gz LWTHJVGHUJARQM-WDEREUQCSA-N 1 0 308.813 1.603 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1Cc1cc(=O)n2ccsc2n1 ZINC000090337695 185291872 /nfs/dbraw/zinc/29/18/72/185291872.db2.gz LKZYXIUDIMXYHR-JQWIXIFHSA-N 1 0 304.419 1.186 10 0 DDAERO C[C@@H]([NH3+])CCSCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000090346763 185292038 /nfs/dbraw/zinc/29/20/38/185292038.db2.gz ASIBCQJQXDCUQL-LLVKDONJSA-N 1 0 302.465 1.907 10 0 DDAERO C[C@H](NC(=O)[C@H]1COC[C@@H]1[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000090381002 185293582 /nfs/dbraw/zinc/29/35/82/185293582.db2.gz NLDLDELRLAZDGM-UWJYBYFXSA-N 1 0 302.296 1.856 10 0 DDAERO [NH3+][C@@H]1COC[C@H]1C(=O)Nc1cccc(Cl)c1-n1cccn1 ZINC000090381450 185293671 /nfs/dbraw/zinc/29/36/71/185293671.db2.gz JXORLWKLPLAEEB-MWLCHTKSSA-N 1 0 306.753 1.438 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000090431953 185296053 /nfs/dbraw/zinc/29/60/53/185296053.db2.gz UFLAUGDBVZHLFS-MNOVXSKESA-N 1 0 304.268 1.758 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000090434215 185296220 /nfs/dbraw/zinc/29/62/20/185296220.db2.gz FLZRUJDTLYACFF-SCZZXKLOSA-N 1 0 304.268 1.600 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000090434672 185296257 /nfs/dbraw/zinc/29/62/57/185296257.db2.gz NMVGTFQIFDXSGD-MNOVXSKESA-N 1 0 306.284 1.405 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1cccc(-c2nccs2)c1 ZINC000090434265 185296447 /nfs/dbraw/zinc/29/64/47/185296447.db2.gz DKPVFUAYROYXBK-OLZOCXBDSA-N 1 0 303.387 1.983 10 0 DDAERO C[C@@]1(C(=O)NCc2cccc(C(F)(F)F)c2)COC[C@H]1[NH3+] ZINC000090580466 185304789 /nfs/dbraw/zinc/30/47/89/185304789.db2.gz FNAPHEZLISDPOI-DGCLKSJQSA-N 1 0 302.296 1.685 10 0 DDAERO O=S(=O)(C1CC1)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000090701084 185310419 /nfs/dbraw/zinc/31/04/19/185310419.db2.gz VYXFCQICOHXONU-GFCCVEGCSA-N 1 0 304.481 1.382 10 0 DDAERO CN(CC(=O)Nc1ccc(N)cc1Cl)C[C@H]1CCC[N@@H+]1C ZINC000092621638 185329666 /nfs/dbraw/zinc/32/96/66/185329666.db2.gz MQVSNNBSVDEBPC-GFCCVEGCSA-N 1 0 310.829 1.887 10 0 DDAERO CN(C[C@H]1CCC[N@@H+]1C)c1nc2c(cc1C(N)=S)CCC2 ZINC000092631976 185330185 /nfs/dbraw/zinc/33/01/85/185330185.db2.gz OEWSGILEANLXAU-GFCCVEGCSA-N 1 0 304.463 1.735 10 0 DDAERO CN(C[C@H]1CCC[N@@H+]1C)c1ncc(Br)cc1CO ZINC000092633778 185330473 /nfs/dbraw/zinc/33/04/73/185330473.db2.gz IPEQJORBVVEAGO-GFCCVEGCSA-N 1 0 314.227 1.867 10 0 DDAERO O=C(Nc1ccc(Br)cc1)c1cn(C2C[NH2+]C2)nn1 ZINC000092700160 185333705 /nfs/dbraw/zinc/33/37/05/185333705.db2.gz QLXFWIWZMYENLC-UHFFFAOYSA-N 1 0 322.166 1.437 10 0 DDAERO O=C(CC[NH2+][C@H]1CCS(=O)(=O)c2ccccc21)NC1CC1 ZINC000092986793 185351012 /nfs/dbraw/zinc/35/10/12/185351012.db2.gz SVBHMXHYDWZQPP-ZDUSSCGKSA-N 1 0 308.403 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C[C@@H]1C[C@@H]([NH3+])CN(S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000094550184 193378998 /nfs/dbraw/zinc/37/89/98/193378998.db2.gz CFCCAWMFGWKPKO-PSASIEDQSA-N 1 0 306.790 1.837 10 0 DDAERO CCOCCCN(CC(F)(F)F)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094568434 193380793 /nfs/dbraw/zinc/38/07/93/193380793.db2.gz KBPKCAZFJMZSHN-MNOVXSKESA-N 1 0 312.332 1.310 10 0 DDAERO [NH3+]C[C@@H]1CC[C@H](C(=O)NCc2ccc(Br)cc2)O1 ZINC000094564352 193380958 /nfs/dbraw/zinc/38/09/58/193380958.db2.gz YQFNKPJIMDGLME-NWDGAFQWSA-N 1 0 313.195 1.572 10 0 DDAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2ccc3c(c2)NC(=O)CS3)O1 ZINC000094566704 193381138 /nfs/dbraw/zinc/38/11/38/193381138.db2.gz BMDKKKOFNOBKBE-MWLCHTKSSA-N 1 0 307.375 1.176 10 0 DDAERO COc1ncnc2c1[nH]c(=S)n2C[C@H](C)[NH+]1CCCCC1 ZINC000094739017 193394497 /nfs/dbraw/zinc/39/44/97/193394497.db2.gz HAWDOCPUXPJKJD-JTQLQIEISA-N 1 0 307.423 1.998 10 0 DDAERO C[NH+](C)CCCNCC(=O)Nc1ccc(Br)cc1 ZINC000020054159 182184095 /nfs/dbraw/zinc/18/40/95/182184095.db2.gz 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CO[C@H]1C[NH2+][C@@H](C(=O)NCc2ccccc2OC(F)F)C1 ZINC000040856709 183143302 /nfs/dbraw/zinc/14/33/02/183143302.db2.gz VPITUWZNIISXFG-GHMZBOCLSA-N 1 0 300.305 1.281 10 0 DDAERO CC[C@H]([NH3+])c1cccc(S(=O)(=O)N[C@H]2CCCN(C)C2)c1 ZINC000040716250 183123085 /nfs/dbraw/zinc/12/30/85/183123085.db2.gz AFBFREPNKIKWDT-ZFWWWQNUSA-N 1 0 311.451 1.469 10 0 DDAERO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC(=O)OC)cc1 ZINC000041041300 183159499 /nfs/dbraw/zinc/15/94/99/183159499.db2.gz FRZPYUFHIOFFFT-NSHDSACASA-N 1 0 314.407 1.199 10 0 DDAERO COCCN([C@H](C)COC)[C@@H](C[NH3+])c1ccc(F)cc1F ZINC000042603313 183290566 /nfs/dbraw/zinc/29/05/66/183290566.db2.gz JAECHGXYGCTNEB-ABAIWWIYSA-N 1 0 302.365 1.948 10 0 DDAERO CCCN(CC(=O)OC)S(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000042718685 183301574 /nfs/dbraw/zinc/30/15/74/183301574.db2.gz DGBWHCKVSMNWDI-NSHDSACASA-N 1 0 314.407 1.280 10 0 DDAERO CCN(C[C@@H](O)COc1cccc(C[NH3+])c1)CC(F)(F)F ZINC000042739711 183303787 /nfs/dbraw/zinc/30/37/87/183303787.db2.gz VNIXGVQVQAGWSO-GFCCVEGCSA-N 1 0 306.328 1.769 10 0 DDAERO C[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N1CCNC(=O)C1 ZINC000042952051 183320565 /nfs/dbraw/zinc/32/05/65/183320565.db2.gz BIYNVUOSNZCTBA-ZANVPECISA-N 1 0 312.211 1.269 10 0 DDAERO C[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N(C)CC(N)=O ZINC000042953039 183321724 /nfs/dbraw/zinc/32/17/24/183321724.db2.gz CIQXMIKBCJROPZ-QPUJVOFHSA-N 1 0 300.200 1.255 10 0 DDAERO CCNC(=O)CN(C)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000043021457 183329666 /nfs/dbraw/zinc/32/96/66/183329666.db2.gz KOTGIIGDVCPHQO-GFCCVEGCSA-N 1 0 314.227 1.517 10 0 DDAERO CCN(CC(F)(F)F)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000042768393 183307121 /nfs/dbraw/zinc/30/71/21/183307121.db2.gz VNSQNVZHANSXOF-UHFFFAOYSA-N 1 0 310.341 1.859 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)N(CC(F)(F)F)C2CC2)cc1 ZINC000042768542 183307143 /nfs/dbraw/zinc/30/71/43/183307143.db2.gz OYCMOEXYSHBAJF-UHFFFAOYSA-N 1 0 308.325 1.861 10 0 DDAERO [NH3+]C[C@@H](c1ccc(Br)s1)N1CCC(O)CC1 ZINC000043258796 183348320 /nfs/dbraw/zinc/34/83/20/183348320.db2.gz QDJMWMZSDHCVGY-VIFPVBQESA-N 1 0 305.241 1.967 10 0 DDAERO C[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043253014 183348441 /nfs/dbraw/zinc/34/84/41/183348441.db2.gz RTOWBNRIWCEDAQ-YGOYTEALSA-N 1 0 322.883 1.909 10 0 DDAERO [NH3+]C[C@H](c1ccc(Br)s1)N1CCC[C@@H]1CO ZINC000043261326 183348909 /nfs/dbraw/zinc/34/89/09/183348909.db2.gz AOJPJLCSDQOHJD-RKDXNWHRSA-N 1 0 305.241 1.967 10 0 DDAERO CC[C@H]([NH3+])[C@@H](c1cc(Br)cs1)N(C)CC(N)=O ZINC000043285402 183350702 /nfs/dbraw/zinc/35/07/02/183350702.db2.gz MWIYIRFDVNXHSA-KWQFWETISA-N 1 0 320.256 1.706 10 0 DDAERO [NH3+][C@@H](c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300015 183351918 /nfs/dbraw/zinc/35/19/18/183351918.db2.gz BBFNLYGGQYHXMU-ONGXEEELSA-N 1 0 304.209 1.884 10 0 DDAERO C[NH2+][C@H](c1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300408 183352278 /nfs/dbraw/zinc/35/22/78/183352278.db2.gz BLKCLFDINBMBMG-ZYHUDNBSSA-N 1 0 305.346 1.983 10 0 DDAERO CC[NH2+][C@@H]1CCC2(C[C@H]1N(CC)[C@@H](C)COC)OCCO2 ZINC000043981503 183391255 /nfs/dbraw/zinc/39/12/55/183391255.db2.gz VBPGECNEORMBLF-RRFJBIMHSA-N 1 0 300.443 1.617 10 0 DDAERO [NH3+]C[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000044529152 183418401 /nfs/dbraw/zinc/41/84/01/183418401.db2.gz QMDZVPREGIUDSM-MRVPVSSYSA-N 1 0 308.325 1.463 10 0 DDAERO CS(=O)(=O)c1ccc(CNC(=O)C[C@@H]2CCCC[NH2+]2)cc1 ZINC000045174258 183487858 /nfs/dbraw/zinc/48/78/58/183487858.db2.gz LAPGJWNRXBPQJQ-ZDUSSCGKSA-N 1 0 310.419 1.239 10 0 DDAERO CCC(CC)NC(=O)[C@H](C)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000105826767 194138007 /nfs/dbraw/zinc/13/80/07/194138007.db2.gz FIXNBCRRKPFPJD-IJEWVQPXSA-N 1 0 313.486 1.457 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2ccc(C(N)=O)cc2)C[C@H]1CC ZINC000105838024 194143755 /nfs/dbraw/zinc/14/37/55/194143755.db2.gz HHDNPTCXHKJPNE-QGZVFWFLSA-N 1 0 319.449 1.718 10 0 DDAERO CC[C@@H]1C[N@H+](C[C@](C)(O)c2ccccc2)CCN1CCOC ZINC000105837325 194143858 /nfs/dbraw/zinc/14/38/58/194143858.db2.gz IDPZFRFXVWPURT-MSOLQXFVSA-N 1 0 306.450 1.937 10 0 DDAERO CCOCC[N@@H+]1CCN(CC(=O)N(C)CC2CC2)C[C@@H]1CC ZINC000105838413 194144786 /nfs/dbraw/zinc/14/47/86/194144786.db2.gz MMVDXMHQKSYWKE-INIZCTEOSA-N 1 0 311.470 1.288 10 0 DDAERO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000105898127 194162262 /nfs/dbraw/zinc/16/22/62/194162262.db2.gz KDUNSFOAQITCIC-HNNXBMFYSA-N 1 0 300.362 1.902 10 0 DDAERO COC(=O)c1cc(F)ccc1CN1CCO[C@H](C[NH+](C)C)C1 ZINC000105924192 194171682 /nfs/dbraw/zinc/17/16/82/194171682.db2.gz AIVRJIYTVSZCJR-CQSZACIVSA-N 1 0 310.369 1.375 10 0 DDAERO CN(Cc1ccc(F)cc1)C(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000105926203 194171822 /nfs/dbraw/zinc/17/18/22/194171822.db2.gz OMUDSKTYSZKFLP-MRXNPFEDSA-N 1 0 323.412 1.047 10 0 DDAERO COc1ccc(OCCCN2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000105926851 194173168 /nfs/dbraw/zinc/17/31/68/194173168.db2.gz HNFJAAPBWDNWMV-QGZVFWFLSA-N 1 0 308.422 1.727 10 0 DDAERO Cc1ccc(NC(=O)[C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)cc1C ZINC000105932821 194173471 /nfs/dbraw/zinc/17/34/71/194173471.db2.gz WRFYWCPHGOWEPJ-ZBFHGGJFSA-N 1 0 305.422 1.551 10 0 DDAERO CC[C@H]1CN(Cc2ccc(C(=O)OC)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000106102715 194185104 /nfs/dbraw/zinc/18/51/04/194185104.db2.gz JCDMREINMNEXLY-PBHICJAKSA-N 1 0 320.433 1.750 10 0 DDAERO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccccc1NN ZINC000049560601 183741968 /nfs/dbraw/zinc/74/19/68/183741968.db2.gz JYBUUGZUCYZQOP-LBPRGKRZSA-N 1 0 314.455 1.227 10 0 DDAERO CN(Cc1ccc(F)cc1)S(=O)(=O)C[C@H]1CCC[NH2+]C1 ZINC000049644557 183751167 /nfs/dbraw/zinc/75/11/67/183751167.db2.gz GMIQMRFCDSYVAK-ZDUSSCGKSA-N 1 0 300.399 1.587 10 0 DDAERO CN(Cc1ccccc1F)S(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000049644544 183751367 /nfs/dbraw/zinc/75/13/67/183751367.db2.gz JADMQZZWWRFXAW-GFCCVEGCSA-N 1 0 300.399 1.587 10 0 DDAERO Nc1[nH+]c2cc(Br)ccc2n1[C@@H]1CCCNC1=O ZINC000050396832 183785111 /nfs/dbraw/zinc/78/51/11/183785111.db2.gz WNBDMIMFHUQFOK-SNVBAGLBSA-N 1 0 309.167 1.832 10 0 DDAERO CCN[C@H](C[NH3+])c1cc(Br)c2c(c1)OCCO2 ZINC000050270297 183781444 /nfs/dbraw/zinc/78/14/44/183781444.db2.gz BEJKUMDDUCWYBM-SNVBAGLBSA-N 1 0 301.184 1.830 10 0 DDAERO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)cnc2N)C1 ZINC000050704370 183800842 /nfs/dbraw/zinc/80/08/42/183800842.db2.gz OYNKRDIHFTYNSQ-QMMMGPOBSA-N 1 0 313.199 1.108 10 0 DDAERO [NH3+]Cc1cccc(CS(=O)(=O)N2Cc3ccccc3C2)c1 ZINC000050911934 183807626 /nfs/dbraw/zinc/80/76/26/183807626.db2.gz FIDCOTMQMOHGRZ-UHFFFAOYSA-N 1 0 302.399 1.991 10 0 DDAERO Cc1cc(N2CC[NH+]([C@@H](C)C(N)=S)CC2)nc(C(C)C)n1 ZINC000109471173 194266844 /nfs/dbraw/zinc/26/68/44/194266844.db2.gz YFVHGHXRTSYAFN-LBPRGKRZSA-N 1 0 307.467 1.705 10 0 DDAERO C[NH+](C)C[C@@H](NC(=O)c1cc(C(N)=O)cs1)c1ccccc1 ZINC000053149809 183889908 /nfs/dbraw/zinc/88/99/08/183889908.db2.gz OHPUGZBVIRKGDC-CYBMUJFWSA-N 1 0 317.414 1.880 10 0 DDAERO CCOCCCC[NH2+]CCN1CCN(c2nccs2)CC1 ZINC000053345455 183899298 /nfs/dbraw/zinc/89/92/98/183899298.db2.gz YCGICUKIQRUHMD-UHFFFAOYSA-N 1 0 312.483 1.671 10 0 DDAERO CCOCCC[NH2+]C[C@@H](C)N1CCN(c2nccs2)CC1 ZINC000053488383 183903918 /nfs/dbraw/zinc/90/39/18/183903918.db2.gz HYGOFQPECVTOFR-CQSZACIVSA-N 1 0 312.483 1.670 10 0 DDAERO COCC[NH2+]CCCCOc1ccc(S(C)(=O)=O)cc1 ZINC000053589089 183907383 /nfs/dbraw/zinc/90/73/83/183907383.db2.gz HXNPVKVUJYNADD-UHFFFAOYSA-N 1 0 301.408 1.485 10 0 DDAERO C[N@@H+]1CCN(c2nc3c(cc2C(N)=S)CCC3)CC1(C)C ZINC000110756269 194356590 /nfs/dbraw/zinc/35/65/90/194356590.db2.gz GZGURVLIKWVICJ-UHFFFAOYSA-N 1 0 304.463 1.735 10 0 DDAERO C[NH2+][C@H](CCN1CCS(=O)(=O)CC1)c1ccc(F)cc1 ZINC000053980137 183918942 /nfs/dbraw/zinc/91/89/42/183918942.db2.gz IJFKYUIDPSKGEU-CQSZACIVSA-N 1 0 300.399 1.207 10 0 DDAERO O=S(=O)(NCC[C@@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1F ZINC000110792308 194358929 /nfs/dbraw/zinc/35/89/29/194358929.db2.gz UASFVCAJVCRYKB-VIFPVBQESA-N 1 0 322.352 1.772 10 0 DDAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCN(C)[C@@H](C)C2)cc1 ZINC000110763448 194357002 /nfs/dbraw/zinc/35/70/02/194357002.db2.gz CECQURLGQAQIHY-QWHCGFSZSA-N 1 0 311.451 1.292 10 0 DDAERO CN(c1ccc(C(F)(F)F)cc1C(N)=O)[C@@H]1CCC[NH2+]C1 ZINC000110932480 194371440 /nfs/dbraw/zinc/37/14/40/194371440.db2.gz PNGWEBAVGJXIAF-SNVBAGLBSA-N 1 0 301.312 1.993 10 0 DDAERO CCN(Cc1nn2c(nc(C)cc2=O)s1)[C@H]1CCC[NH2+]C1 ZINC000110944083 194371771 /nfs/dbraw/zinc/37/17/71/194371771.db2.gz XIAWVIXHESYKON-NSHDSACASA-N 1 0 307.423 1.033 10 0 DDAERO C[NH2+][C@@H]1CC(C)(C)Cc2nc(N3CCS(=O)CC3)sc21 ZINC000054907470 183954704 /nfs/dbraw/zinc/95/47/04/183954704.db2.gz JEAUTMOITXDXFU-SNVBAGLBSA-N 1 0 313.492 1.945 10 0 DDAERO CN(CCC[NH+](C)C)S(=O)(=O)c1ccc2c(c1)CCCN2 ZINC000111141417 194394741 /nfs/dbraw/zinc/39/47/41/194394741.db2.gz GNGUSXLAWCPKKC-UHFFFAOYSA-N 1 0 311.451 1.617 10 0 DDAERO CCCNc1ccc(S(=O)(=O)N(C)CC[NH+](C)C)cn1 ZINC000111150717 194396348 /nfs/dbraw/zinc/39/63/48/194396348.db2.gz NXNIKEDDQXNAMP-UHFFFAOYSA-N 1 0 300.428 1.086 10 0 DDAERO CCCN[C@@](C)(CC[N@H+](C)C[C@@H]1CCCOC1)C(=O)OC ZINC000111169777 194398309 /nfs/dbraw/zinc/39/83/09/194398309.db2.gz JKRLXETYGQTGKG-HOCLYGCPSA-N 1 0 300.443 1.666 10 0 DDAERO CN(C[C@@H]1CCCOC1)S(=O)(=O)CCC1CC[NH2+]CC1 ZINC000111178846 194399191 /nfs/dbraw/zinc/39/91/91/194399191.db2.gz CRZBXVKVRHRGQX-AWEZNQCLSA-N 1 0 304.456 1.064 10 0 DDAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC000061291945 184167572 /nfs/dbraw/zinc/16/75/72/184167572.db2.gz VMFYYEAMYRMUCO-UHFFFAOYSA-N 1 0 313.423 1.230 10 0 DDAERO C[C@@H](C[NH+]1CCCC1)Nc1nc(Cl)nc(-n2ccnc2)n1 ZINC000061539155 184173222 /nfs/dbraw/zinc/17/32/22/184173222.db2.gz NRYSUHPCYUBMIA-JTQLQIEISA-N 1 0 307.789 1.607 10 0 DDAERO C[N@@H+]1CCCC[C@H]1CNc1nc(Cl)nc(-n2ccnc2)n1 ZINC000061540829 184173747 /nfs/dbraw/zinc/17/37/47/184173747.db2.gz YZJQJAMFSQUVRE-JTQLQIEISA-N 1 0 307.789 1.607 10 0 DDAERO Cc1ccc(N)c(C)c1S(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061642618 184180266 /nfs/dbraw/zinc/18/02/66/184180266.db2.gz YAKSMPUWOFTDDZ-ZDUSSCGKSA-N 1 0 311.451 1.600 10 0 DDAERO C[C@@H](CCNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1ccccc1 ZINC000061911028 184194548 /nfs/dbraw/zinc/19/45/48/184194548.db2.gz PUTYSDUCDDCHJB-JSGCOSHPSA-N 1 0 312.435 1.058 10 0 DDAERO C[C@H]([NH3+])[C@H](c1ccccn1)N1CCN(CC(F)(F)F)CC1 ZINC000061940822 184197506 /nfs/dbraw/zinc/19/75/06/184197506.db2.gz SAUZKFZFBQXQFH-WCQYABFASA-N 1 0 302.344 1.650 10 0 DDAERO CC[NH2+]C[C@@H]1CC[C@H](CN2CCN(CC(F)(F)F)CC2)O1 ZINC000061948313 184197912 /nfs/dbraw/zinc/19/79/12/184197912.db2.gz BYIKAMCXGZVXAT-QWHCGFSZSA-N 1 0 309.376 1.323 10 0 DDAERO C[C@H](Cc1ccc(F)cc1)NS(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000062037910 184203183 /nfs/dbraw/zinc/20/31/83/184203183.db2.gz AMYNCKOWXYIUDB-TZMCWYRMSA-N 1 0 314.426 1.676 10 0 DDAERO Cc1c(N)cccc1S(=O)(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000062069417 184204072 /nfs/dbraw/zinc/20/40/72/184204072.db2.gz UEWWARBDAWGVFG-LBPRGKRZSA-N 1 0 311.451 1.587 10 0 DDAERO CCC(CC)(C[NH2+]C1CC1)CN1CCN(S(C)(=O)=O)CC1 ZINC000062086285 184205468 /nfs/dbraw/zinc/20/54/68/184205468.db2.gz CMTHZQRQGJMYIW-UHFFFAOYSA-N 1 0 317.499 1.122 10 0 DDAERO CC[NH2+][C@@H]1CCCCC[C@H]1CN1CCN(S(C)(=O)=O)CC1 ZINC000062096379 184205930 /nfs/dbraw/zinc/20/59/30/184205930.db2.gz MWFDHUDCBUBPNI-LSDHHAIUSA-N 1 0 317.499 1.122 10 0 DDAERO C[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc[nH+]c(NN)c1 ZINC000062190482 184217624 /nfs/dbraw/zinc/21/76/24/184217624.db2.gz NXTNJHVBQFZWTQ-NSHDSACASA-N 1 0 306.391 1.277 10 0 DDAERO CC1(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)CC[NH2+]CC1 ZINC000062840638 184255566 /nfs/dbraw/zinc/25/55/66/184255566.db2.gz SFJJVEUADWLTEX-KGLIPLIRSA-N 1 0 312.479 1.889 10 0 DDAERO CC[C@]1(C(=O)Nc2ccc(S(=O)(=O)CC)cc2)CC[NH2+]C1 ZINC000062892418 184258653 /nfs/dbraw/zinc/25/86/53/184258653.db2.gz LKSKHPYMUZDKJM-HNNXBMFYSA-N 1 0 310.419 1.808 10 0 DDAERO Cc1cc(NC(=O)[C@@]2(C)CC[NH2+]C2)ccc1NS(C)(=O)=O ZINC000062893210 184258850 /nfs/dbraw/zinc/25/88/50/184258850.db2.gz HIYAXHKHYXRUKG-AWEZNQCLSA-N 1 0 311.407 1.305 10 0 DDAERO CCCOc1nc(Cl)nc(N2CCC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000062943386 184261718 /nfs/dbraw/zinc/26/17/18/184261718.db2.gz BOPFFBYMBZOZFG-LLVKDONJSA-N 1 0 311.817 1.988 10 0 DDAERO C[C@@H](COc1ccc(CC[NH3+])cc1Br)C(N)=O ZINC000062703791 184247940 /nfs/dbraw/zinc/24/79/40/184247940.db2.gz PFLFPDOKSQXXGJ-QMMMGPOBSA-N 1 0 301.184 1.451 10 0 DDAERO [NH3+][C@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(F)cc1F ZINC000063213985 184279059 /nfs/dbraw/zinc/27/90/59/184279059.db2.gz VIKKKRWRDCEMAY-NWDGAFQWSA-N 1 0 304.362 1.903 10 0 DDAERO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2N)C1 ZINC000062965254 184262779 /nfs/dbraw/zinc/26/27/79/184262779.db2.gz HFAPKKSWTWVYCJ-JTQLQIEISA-N 1 0 303.815 1.247 10 0 DDAERO C[C@@H](C(=O)Nc1ccc(Cl)cc1N)N1CC[C@H]([NH+](C)C)C1 ZINC000062963759 184262860 /nfs/dbraw/zinc/26/28/60/184262860.db2.gz WAPGMBQLCIXFJS-JQWIXIFHSA-N 1 0 310.829 1.885 10 0 DDAERO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2N)C1 ZINC000062965416 184262871 /nfs/dbraw/zinc/26/28/71/184262871.db2.gz NURHBGGCOVAARH-JTQLQIEISA-N 1 0 303.815 1.247 10 0 DDAERO CCCNc1ccc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000062984580 184264872 /nfs/dbraw/zinc/26/48/72/184264872.db2.gz XYOYZDAITBIDSY-AWEZNQCLSA-N 1 0 311.451 1.833 10 0 DDAERO COc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCC[C@@H]1[NH3+] ZINC000063175064 184276109 /nfs/dbraw/zinc/27/61/09/184276109.db2.gz AUIQOBRNDAUCQX-UWVGGRQHSA-N 1 0 304.799 1.507 10 0 DDAERO CCSc1nnc(NC(=O)C[NH2+]CCc2ccccn2)s1 ZINC000065492196 184354294 /nfs/dbraw/zinc/35/42/94/184354294.db2.gz BOHUDRIWMINIKG-UHFFFAOYSA-N 1 0 323.447 1.816 10 0 DDAERO CCC(=O)Nc1cc(NC(=O)C[NH2+]CCCOC)ccc1C ZINC000066068416 184386392 /nfs/dbraw/zinc/38/63/92/184386392.db2.gz NCCQXLNPFFRPHZ-UHFFFAOYSA-N 1 0 307.394 1.908 10 0 DDAERO C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1CCCC[C@H]1O ZINC000155442786 197055455 /nfs/dbraw/zinc/05/54/55/197055455.db2.gz JPLFKOBNSUDKNL-GDBMZVCRSA-N 1 0 320.433 1.908 10 0 DDAERO Cc1ccn(C)c(=O)c1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000155394335 197050568 /nfs/dbraw/zinc/05/05/68/197050568.db2.gz JBMMYWJJKUGIQD-STQMWFEESA-N 1 0 306.410 1.544 10 0 DDAERO CNC(=O)CCC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000155262757 197037571 /nfs/dbraw/zinc/03/75/71/197037571.db2.gz CVKLWMQACJVBKI-UONOGXRCSA-N 1 0 305.422 1.710 10 0 DDAERO COc1cc(CCNC(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1C ZINC000120666974 195211804 /nfs/dbraw/zinc/21/18/04/195211804.db2.gz SDRSMCKHVFBYOR-OAHLLOKOSA-N 1 0 305.422 1.892 10 0 DDAERO COCC[N@@H+]1CCN(Cc2cnc3c(C)cccn23)C[C@H]1C ZINC000120826073 195245643 /nfs/dbraw/zinc/24/56/43/195245643.db2.gz IUWGGQRPKISXSR-OAHLLOKOSA-N 1 0 302.422 1.795 10 0 DDAERO c1cncc(C[C@@H]2[C@@H](N3CCOCC3)CC[N@@H+]2[C@@H]2CCOC2)c1 ZINC000249701935 257106881 /nfs/dbraw/zinc/10/68/81/257106881.db2.gz YSLUKORKHPWPAH-FGTMMUONSA-N 1 0 317.433 1.188 10 0 DDAERO Cn1cc(CN2CCO[C@H]3C[N@H+](Cc4ccoc4)C[C@H]3C2)cn1 ZINC000248165771 257107270 /nfs/dbraw/zinc/10/72/70/257107270.db2.gz ZTAOZHLJYJURIM-SJORKVTESA-N 1 0 316.405 1.346 10 0 DDAERO C[NH+](C)CC(=O)N1C[C@@H]2CCC[C@]2(COCC2CCOCC2)C1 ZINC000247985342 257112951 /nfs/dbraw/zinc/11/29/51/257112951.db2.gz 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ZINC000075717487 406940857 /nfs/dbraw/zinc/94/08/57/406940857.db2.gz DRVJROGESCEVNC-UHFFFAOYSA-N 1 0 306.439 1.308 10 0 DDAERO C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000076097696 406954920 /nfs/dbraw/zinc/95/49/20/406954920.db2.gz IYYIWVSHOCXUHT-CJNGLKHVSA-N 1 0 315.417 1.788 10 0 DDAERO c1cc(-c2noc(-c3ccc(N4CC[NH2+]CC4)nc3)n2)ccn1 ZINC000040351995 407002617 /nfs/dbraw/zinc/00/26/17/407002617.db2.gz BXOWOFXIENFGAQ-UHFFFAOYSA-N 1 0 308.345 1.603 10 0 DDAERO C[C@@H]1CN(C(=O)C[NH+]2CCC(Cn3cccn3)CC2)C[C@H](C)O1 ZINC000090473430 407168664 /nfs/dbraw/zinc/16/86/64/407168664.db2.gz GPITWGAZVDDCCK-GASCZTMLSA-N 1 0 320.437 1.231 10 0 DDAERO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000103595302 407342775 /nfs/dbraw/zinc/34/27/75/407342775.db2.gz FRSQITYDTWIUOR-AWEZNQCLSA-N 1 0 312.458 1.227 10 0 DDAERO C[C@H]1CC[C@H](C(=O)NCc2ccnc(OCC[NH+](C)C)c2)O1 ZINC000124146220 407349765 /nfs/dbraw/zinc/34/97/65/407349765.db2.gz CSKBKVPDBFTPIN-GXTWGEPZSA-N 1 0 307.394 1.206 10 0 DDAERO O=C(C[NH+]1CCC(Cn2cccn2)CC1)NC(C1CC1)C1CC1 ZINC000105886811 407357937 /nfs/dbraw/zinc/35/79/37/407357937.db2.gz ZJGNBHQFMZIRIA-UHFFFAOYSA-N 1 0 316.449 1.900 10 0 DDAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111816609 407416669 /nfs/dbraw/zinc/41/66/69/407416669.db2.gz NRJFRERIFDCDLN-CABCVRRESA-N 1 0 323.441 1.024 10 0 DDAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2cccnc2)CC1 ZINC000112712088 407437168 /nfs/dbraw/zinc/43/71/68/407437168.db2.gz RHOZRVLZXURUIK-CYBMUJFWSA-N 1 0 306.410 1.638 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCN1C(=O)c2ccccc2C1=O ZINC000113267787 407485090 /nfs/dbraw/zinc/48/50/90/407485090.db2.gz DZBUNHPOUCHCMH-UONOGXRCSA-N 1 0 313.401 1.451 10 0 DDAERO COCCc1cc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)n(C)n1 ZINC000128304356 407521211 /nfs/dbraw/zinc/52/12/11/407521211.db2.gz GKWJNWUQUVGDDH-AWEZNQCLSA-N 1 0 321.425 1.311 10 0 DDAERO CC(=O)c1ccc(NC(=O)CCN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000178636117 407522009 /nfs/dbraw/zinc/52/20/09/407522009.db2.gz KSCMSOTVFUOKAG-QGZVFWFLSA-N 1 0 315.417 1.998 10 0 DDAERO CCC[C@H](C(=O)N1CCC(CC(=O)N2CCCC2)CC1)[NH+](C)C ZINC000178649109 407529047 /nfs/dbraw/zinc/52/90/47/407529047.db2.gz KYUFQJMYNQGPIF-MRXNPFEDSA-N 1 0 323.481 1.968 10 0 DDAERO COc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCOCC2)cc1OC ZINC000128524137 407544802 /nfs/dbraw/zinc/54/48/02/407544802.db2.gz PEPPXYPVDWBXDN-ZFWWWQNUSA-N 1 0 324.421 1.048 10 0 DDAERO C[C@]1(C[NH3+])CCN(CC(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000261755979 407604832 /nfs/dbraw/zinc/60/48/32/407604832.db2.gz LKDZGDSLPZHMNL-OAHLLOKOSA-N 1 0 308.451 1.631 10 0 DDAERO [NH3+][C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)C1CCOCC1 ZINC000261784675 407613413 /nfs/dbraw/zinc/61/34/13/407613413.db2.gz NDBDTVUBRWSTML-QGZVFWFLSA-N 1 0 317.433 1.085 10 0 DDAERO COc1cccc2sc(NC(=O)[C@@H]([NH3+])C3CCOCC3)nc21 ZINC000261778349 407613998 /nfs/dbraw/zinc/61/39/98/407613998.db2.gz MUIUWGYENQKQTI-LBPRGKRZSA-N 1 0 321.402 1.997 10 0 DDAERO CCn1cnnc1[C@H]1CCCN(C(=O)C[N@H+](CC)C2CC2)C1 ZINC000152332650 407614069 /nfs/dbraw/zinc/61/40/69/407614069.db2.gz PZBPKIYPUSPPJG-ZDUSSCGKSA-N 1 0 305.426 1.488 10 0 DDAERO C[C@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152390225 407629124 /nfs/dbraw/zinc/62/91/24/407629124.db2.gz AZRNIWXOZIYRCH-ZBFHGGJFSA-N 1 0 303.406 1.936 10 0 DDAERO [NH3+]C[C@@H]1CN(CC(=O)NC2CCCC2)C[C@H]1c1ccccc1 ZINC000261864831 407647914 /nfs/dbraw/zinc/64/79/14/407647914.db2.gz WUPWFIOLGDBIKO-WBVHZDCISA-N 1 0 301.434 1.720 10 0 DDAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000114562873 407592222 /nfs/dbraw/zinc/59/22/22/407592222.db2.gz WZFYOOHYGSGSAZ-VNQPRFMTSA-N 1 0 306.406 1.150 10 0 DDAERO CCN(C)C(=O)CC[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000130345635 407680836 /nfs/dbraw/zinc/68/08/36/407680836.db2.gz ZVNMZRJKPHYSPS-UHFFFAOYSA-N 1 0 305.426 1.166 10 0 DDAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1cnc(C2CC2)nc1 ZINC000171518545 407695726 /nfs/dbraw/zinc/69/57/26/407695726.db2.gz RDCZSOLLLOJAPI-AWEZNQCLSA-N 1 0 319.409 1.322 10 0 DDAERO [NH3+][C@@H]1CN(c2ccc(Cl)cc2I)C1=O ZINC000232261102 407701930 /nfs/dbraw/zinc/70/19/30/407701930.db2.gz PCNPDLABZRHVLI-SSDOTTSWSA-N 1 0 322.533 1.619 10 0 DDAERO Cn1ccnc1[C@H]1C[N@H+](Cc2cccc3c2NCC3)CCN1C ZINC000262000871 407708749 /nfs/dbraw/zinc/70/87/49/407708749.db2.gz UBLBKRPTKVFXIS-MRXNPFEDSA-N 1 0 311.433 1.877 10 0 DDAERO CCNC(=O)C(C)(C)CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000130974911 407714935 /nfs/dbraw/zinc/71/49/35/407714935.db2.gz WUMUEMNYEMOAQA-ZDUSSCGKSA-N 1 0 312.458 1.274 10 0 DDAERO C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@@H]1[NH3+] ZINC000235656201 407720328 /nfs/dbraw/zinc/72/03/28/407720328.db2.gz KCWCSPMNSJMIRN-XVKPBYJWSA-N 1 0 309.218 1.961 10 0 DDAERO O=C(N[C@H]1COc2ccccc2C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171637604 407730765 /nfs/dbraw/zinc/73/07/65/407730765.db2.gz ZMZHAFMNDKKUFF-HZPDHXFCSA-N 1 0 315.417 1.870 10 0 DDAERO [NH3+][C@H](C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F)C1CCOCC1 ZINC000262105236 407740035 /nfs/dbraw/zinc/74/00/35/407740035.db2.gz VHVFAZATBOANRO-XEGUGMAKSA-N 1 0 310.344 1.691 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000262238020 407773718 /nfs/dbraw/zinc/77/37/18/407773718.db2.gz HNBPWPNCRMONRX-CHWSQXEVSA-N 1 0 316.760 1.353 10 0 DDAERO CC(C)Oc1cccc(CC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000116787330 407777518 /nfs/dbraw/zinc/77/75/18/407777518.db2.gz WBIWYXKYYHAEPZ-KRWDZBQOSA-N 1 0 320.433 1.805 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N(Cc1cc(OC)ccc1OC)C1CC1 ZINC000262308800 407794835 /nfs/dbraw/zinc/79/48/35/407794835.db2.gz OTPOXSRMQIITDA-CQSZACIVSA-N 1 0 308.378 1.169 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)NC2CCOCC2)C[C@@H]1CC ZINC000117036356 407805305 /nfs/dbraw/zinc/80/53/05/407805305.db2.gz HMCUGXZNSQRUMP-HNNXBMFYSA-N 1 0 313.442 1.308 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(-n2nc(C)cc2C)cc1 ZINC000262342429 407806727 /nfs/dbraw/zinc/80/67/27/407806727.db2.gz SXMCTWGFIHCZDG-XJKSGUPXSA-N 1 0 316.405 1.640 10 0 DDAERO CC[C@@H]1CN(C(=O)Cc2ccccc2O)CC[N@@H+]1CCOC ZINC000117426015 407834457 /nfs/dbraw/zinc/83/44/57/407834457.db2.gz QXKBVSRMQFUIEX-OAHLLOKOSA-N 1 0 306.406 1.504 10 0 DDAERO COC(=O)C1CCC(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000180123174 407859371 /nfs/dbraw/zinc/85/93/71/407859371.db2.gz RCPUMWXJNPQYIU-UHFFFAOYSA-N 1 0 310.438 1.814 10 0 DDAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCCNC(=O)C(F)(F)F ZINC000180705267 407912244 /nfs/dbraw/zinc/91/22/44/407912244.db2.gz XCESOMZSYVVBJS-LBPRGKRZSA-N 1 0 318.343 1.725 10 0 DDAERO C[NH2+]C[C@H](C)C(=O)N1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000262611915 407882102 /nfs/dbraw/zinc/88/21/02/407882102.db2.gz DJWOAXQYACKBTN-YNEHKIRRSA-N 1 0 312.435 1.255 10 0 DDAERO Cc1cnn(CCNC(=O)NCCC[NH2+]C2CCCCC2)c1 ZINC000118080421 407884261 /nfs/dbraw/zinc/88/42/61/407884261.db2.gz QNSMISFQOIRLIF-UHFFFAOYSA-N 1 0 307.442 1.803 10 0 DDAERO CCOCCN1CCN(C(=O)/C=C/c2cccc(O)c2)C[C@@H]1C ZINC000153742994 407891848 /nfs/dbraw/zinc/89/18/48/407891848.db2.gz TZZZAZBSIRWLKH-KIUWMYQTSA-N 1 0 318.417 1.975 10 0 DDAERO COCCN1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@@H]1C ZINC000173663516 407893780 /nfs/dbraw/zinc/89/37/80/407893780.db2.gz XKDBOHGZEUUKQS-JKSUJKDBSA-N 1 0 311.470 1.430 10 0 DDAERO C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173943877 407905819 /nfs/dbraw/zinc/90/58/19/407905819.db2.gz FLPRYDXQBMDBHD-HOTGVXAUSA-N 1 0 309.454 1.040 10 0 DDAERO COc1cc(OC)c(OC)cc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262473171 407846462 /nfs/dbraw/zinc/84/64/62/407846462.db2.gz JKBVCWPBLUCOAZ-FPMFFAJLSA-N 1 0 306.406 1.882 10 0 DDAERO CC(C)[NH+]1CCC(C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)CC1 ZINC000245445281 407982974 /nfs/dbraw/zinc/98/29/74/407982974.db2.gz YSKZZZRJWLVOLT-CABCVRRESA-N 1 0 311.470 1.020 10 0 DDAERO CC1(C)CC[C@H](CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)O1 ZINC000188189296 407922195 /nfs/dbraw/zinc/92/21/95/407922195.db2.gz QKVCUEBATDOBRD-UONOGXRCSA-N 1 0 313.442 1.090 10 0 DDAERO O=C(NCCc1cccc(O)c1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262804145 407939961 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COc1ccc(OC)c([C@@H](C)NC(=O)C2([NH3+])CCOCC2)c1 ZINC000262105240 698454726 /nfs/dbraw/zinc/45/47/26/698454726.db2.gz JFDDPMJEIWXWTJ-LLVKDONJSA-N 1 0 308.378 1.389 10 0 DDAERO O=S(=O)(Cc1ccccc1C(F)(F)F)NC[C@H]1CC[NH2+]C1 ZINC000262209048 698459393 /nfs/dbraw/zinc/45/93/93/698459393.db2.gz DUYGPVCSZWAXFC-JTQLQIEISA-N 1 0 322.352 1.734 10 0 DDAERO C[C@H](CS(C)(=O)=O)[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000309878499 698667890 /nfs/dbraw/zinc/66/78/90/698667890.db2.gz XYMVDISFLZSHKE-MNOVXSKESA-N 1 0 308.444 1.265 10 0 DDAERO CON1CCC([NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000323100661 698739046 /nfs/dbraw/zinc/73/90/46/698739046.db2.gz CGVSMWQVYNJACS-CYBMUJFWSA-N 1 0 313.442 1.859 10 0 DDAERO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC000705680026 699241897 /nfs/dbraw/zinc/24/18/97/699241897.db2.gz LMLRAXZPZBPEIQ-GXTWGEPZSA-N 1 0 307.394 1.399 10 0 DDAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@H]2CCOC[C@@H]2O)C1(C)C ZINC000706699050 699243944 /nfs/dbraw/zinc/24/39/44/699243944.db2.gz HANLLBKUQBKOPJ-ZDEQEGDKSA-N 1 0 314.426 1.418 10 0 DDAERO C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CCOC[C@H]1O ZINC000706724044 699244204 /nfs/dbraw/zinc/24/42/04/699244204.db2.gz MAKIXHJQKWOMNT-HZSPNIEDSA-N 1 0 316.442 1.809 10 0 DDAERO C[C@@H](NC(=O)c1cc(Br)cn1C)C1CC[NH2+]CC1 ZINC000716572763 699283013 /nfs/dbraw/zinc/28/30/13/699283013.db2.gz ULICIKGBWRDCNY-SECBINFHSA-N 1 0 314.227 1.906 10 0 DDAERO CC(C)S(=O)(=O)CCCN1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717015514 699285537 /nfs/dbraw/zinc/28/55/37/699285537.db2.gz VMFSOCIUXUCXEZ-MNOVXSKESA-N 1 0 316.389 1.411 10 0 DDAERO C[NH+](C)Cc1cc(O[C@@H]2CCN(Cc3ccon3)C2)ccn1 ZINC000886026734 708683935 /nfs/dbraw/zinc/68/39/35/708683935.db2.gz RRCFFKIFJZWTCF-MRXNPFEDSA-N 1 0 302.378 1.785 10 0 DDAERO Cc1ccncc1C[N@H+]1CCC[C@@](O)(Cc2nncn2C)C1 ZINC000886088911 708695994 /nfs/dbraw/zinc/69/59/94/708695994.db2.gz PIVPZKWOWJPHMN-MRXNPFEDSA-N 1 0 301.394 1.088 10 0 DDAERO CC(C)OCCC(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000888095379 709211726 /nfs/dbraw/zinc/21/17/26/709211726.db2.gz XTPNMATWSCOLPQ-TXCZRRACSA-N 1 0 312.454 1.397 10 0 DDAERO CCN1C(=O)N=NC1[C@@H]1C[C@@H](O)[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000888097867 709213168 /nfs/dbraw/zinc/21/31/68/709213168.db2.gz RCJYWZIVYJUXFB-YNEHKIRRSA-N 1 0 317.393 1.674 10 0 DDAERO C[C@@H]1[C@@H](O)CCCN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000908697060 712837062 /nfs/dbraw/zinc/83/70/62/712837062.db2.gz KQLBDEVMSIRZQB-LMPOIIKSSA-N 1 0 310.438 1.249 10 0 DDAERO Cc1nc2ccccc2nc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173953023 282083875 /nfs/dbraw/zinc/08/38/75/282083875.db2.gz NDXRZUJTGIUBBF-OAHLLOKOSA-N 1 0 312.417 1.845 10 0 DDAERO CC(C)[N@H+](C)CCNC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000077001387 185064753 /nfs/dbraw/zinc/06/47/53/185064753.db2.gz ZNSHRWAWDQOTNH-ZDUSSCGKSA-N 1 0 313.442 1.700 10 0 DDAERO C[C@H](CS(C)(=O)=O)Nc1c(C(N)=S)c[nH+]c2ccccc21 ZINC000081904320 192337096 /nfs/dbraw/zinc/33/70/96/192337096.db2.gz JOBBGGLEDAYABN-SECBINFHSA-N 1 0 323.443 1.714 10 0 DDAERO COC(=O)[C@](C)(c1ccc(F)cc1Cl)N1CC[NH2+]CC1 ZINC000078901486 185126295 /nfs/dbraw/zinc/12/62/95/185126295.db2.gz ODRPRWGRYLRXOT-AWEZNQCLSA-N 1 0 300.761 1.773 10 0 DDAERO Cc1cccc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1F ZINC000181287224 199276883 /nfs/dbraw/zinc/27/68/83/199276883.db2.gz VYAXENPZADADPT-STQMWFEESA-N 1 0 312.410 1.991 10 0 DDAERO CCCOc1ccc([C@@H](CS(=O)(=O)CCOC)[NH2+]C)cc1 ZINC000081943170 192344666 /nfs/dbraw/zinc/34/46/66/192344666.db2.gz GLFFSNYIPJPIMB-OAHLLOKOSA-N 1 0 315.435 1.797 10 0 DDAERO C[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)[C@H](C(=O)OC)C1 ZINC000079025978 185147346 /nfs/dbraw/zinc/14/73/46/185147346.db2.gz BGXMDTSDUZOVKO-KBPBESRZSA-N 1 0 306.362 1.549 10 0 DDAERO C[C@@H](CC[NH3+])CCC(=O)Nc1cccc(NS(C)(=O)=O)c1 ZINC000079119432 185159358 /nfs/dbraw/zinc/15/93/58/185159358.db2.gz WSEQGSBLMMPYLM-LLVKDONJSA-N 1 0 313.423 1.762 10 0 DDAERO CC(C)(C)[C@H]1CCCN(CC[NH2+]CCS(C)(=O)=O)CC1 ZINC000079415751 185170632 /nfs/dbraw/zinc/17/06/32/185170632.db2.gz VAFVADQMXSRKPG-AWEZNQCLSA-N 1 0 304.500 1.769 10 0 DDAERO CC[NH2+][C@@H](CCSc1ccc(Br)cn1)C(N)=O ZINC000079447703 185172100 /nfs/dbraw/zinc/17/21/00/185172100.db2.gz REHCMCHZJKXXCE-VIFPVBQESA-N 1 0 318.240 1.790 10 0 DDAERO CCC[C@H]1CCCN(S(=O)(=O)c2cc[nH+]c(NN)c2)CC1 ZINC000079357880 185166888 /nfs/dbraw/zinc/16/68/88/185166888.db2.gz ZFJLYESEFXLHQB-LBPRGKRZSA-N 1 0 312.439 1.958 10 0 DDAERO C[C@]1(C(=O)N2CCCN(Cc3cccs3)CC2)CCC[NH2+]1 ZINC000079517364 185173719 /nfs/dbraw/zinc/17/37/19/185173719.db2.gz STASFHQOGKVDAM-MRXNPFEDSA-N 1 0 307.463 1.925 10 0 DDAERO COc1ccc(C(=O)N2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000082348091 185176804 /nfs/dbraw/zinc/17/68/04/185176804.db2.gz OVCVKYCORXXTHO-UHFFFAOYSA-N 1 0 317.433 1.547 10 0 DDAERO [NH3+][C@H]1CCOC[C@H]1[S@](=O)c1ccccc1Br ZINC000082747290 185202023 /nfs/dbraw/zinc/20/20/23/185202023.db2.gz LBOBKNGDAPWFFE-ZXLZKYRFSA-N 1 0 304.209 1.673 10 0 DDAERO CN(C)[C@@H](Cc1ccccc1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246338729 282182080 /nfs/dbraw/zinc/18/20/80/282182080.db2.gz KZTVISGQZHNSFF-IRXDYDNUSA-N 1 0 301.434 1.466 10 0 DDAERO C[C@H](CCC[NH3+])Nc1ncncc1I ZINC000087362228 185222685 /nfs/dbraw/zinc/22/26/85/185222685.db2.gz SJEIWYDXBISFDK-SSDOTTSWSA-N 1 0 306.151 1.621 10 0 DDAERO C[C@@H](C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)N1CCSCC1 ZINC000132898406 539189930 /nfs/dbraw/zinc/18/99/30/539189930.db2.gz YVJZYMRMNDHYMM-HOCLYGCPSA-N 1 0 321.490 1.843 10 0 DDAERO Cc1ccc(NC(=O)C(C)(C)C(C)(C)[NH3+])cc1S(N)(=O)=O ZINC000087628840 185229481 /nfs/dbraw/zinc/22/94/81/185229481.db2.gz NTKBQGHBHRQVNU-UHFFFAOYSA-N 1 0 313.423 1.344 10 0 DDAERO CC(C)([NH3+])C(C)(C)C(=O)Nc1cccc(NS(C)(=O)=O)c1 ZINC000087628930 185229647 /nfs/dbraw/zinc/22/96/47/185229647.db2.gz AWHLNLXJSMFCPV-UHFFFAOYSA-N 1 0 313.423 1.760 10 0 DDAERO OCC(CO)[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000087750528 185231374 /nfs/dbraw/zinc/23/13/74/185231374.db2.gz BMMBEHOWHTVDIC-GFCCVEGCSA-N 1 0 316.195 1.606 10 0 DDAERO Cc1nn(C)c(C[S@@](=O)CC(C)(C)[NH3+])c1Br ZINC000088071988 185238856 /nfs/dbraw/zinc/23/88/56/185238856.db2.gz WYYLEPNWACEZFW-INIZCTEOSA-N 1 0 308.245 1.477 10 0 DDAERO COc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1C(N)=S ZINC000087832378 185232390 /nfs/dbraw/zinc/23/23/90/185232390.db2.gz UJYHPRJQJJUOPN-UHFFFAOYSA-N 1 0 307.419 1.027 10 0 DDAERO C[NH+]1CCN(CCNc2cc(Br)ccc2N)CC1 ZINC000087835035 185232863 /nfs/dbraw/zinc/23/28/63/185232863.db2.gz FWQXXGOVKMBSFB-UHFFFAOYSA-N 1 0 313.243 1.691 10 0 DDAERO COc1ccc(S(=O)(=O)N2CC[NH2+]CC2(C)C)c(OC)c1 ZINC000088139562 185240642 /nfs/dbraw/zinc/24/06/42/185240642.db2.gz RYYXHLXBYFYGDC-UHFFFAOYSA-N 1 0 314.407 1.076 10 0 DDAERO [NH3+]CCS(=O)(=O)Nc1cc(Cl)ccc1Br ZINC000088122453 185240205 /nfs/dbraw/zinc/24/02/05/185240205.db2.gz OAOCINVAPFLSDG-UHFFFAOYSA-N 1 0 313.604 1.803 10 0 DDAERO CNC(=O)[C@H]([NH2+]C[C@@H](O)COCc1ccccc1F)C(C)C ZINC000183677415 539243089 /nfs/dbraw/zinc/24/30/89/539243089.db2.gz DIUVQIZGZNLINV-UKRRQHHQSA-N 1 0 312.385 1.063 10 0 DDAERO CNC(=O)[C@H]([NH2+]C[C@@H](O)COc1cc(C)ccc1C)C(C)C ZINC000183647851 539242720 /nfs/dbraw/zinc/24/27/20/539242720.db2.gz HSVGQTKZFLRCOK-GDBMZVCRSA-N 1 0 308.422 1.403 10 0 DDAERO COC[C@H](C)n1ccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)n1 ZINC000251436518 282201479 /nfs/dbraw/zinc/20/14/79/282201479.db2.gz CASPPZQQZQWABQ-HZSPNIEDSA-N 1 0 323.441 1.941 10 0 DDAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N(C)[C@@H](C)COC)o1 ZINC000088544131 185256751 /nfs/dbraw/zinc/25/67/51/185256751.db2.gz GVIVUSLJNFAHRW-NSHDSACASA-N 1 0 304.412 1.435 10 0 DDAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)o1 ZINC000088543481 185256948 /nfs/dbraw/zinc/25/69/48/185256948.db2.gz DHBCKRKJPNDCBX-RYUDHWBXSA-N 1 0 316.423 1.576 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N[C@H]2C[C@H]2c2ccccc2)o1 ZINC000088543047 185256054 /nfs/dbraw/zinc/25/60/54/185256054.db2.gz VNWLONUGSKFODZ-KBPBESRZSA-N 1 0 306.387 1.833 10 0 DDAERO NC(=O)[C@H]1C[NH2+]CCN1Cc1csc(-c2ccsc2)n1 ZINC000088668762 185261981 /nfs/dbraw/zinc/26/19/81/185261981.db2.gz FUUPFDNWLWDBFJ-LLVKDONJSA-N 1 0 308.432 1.131 10 0 DDAERO CCOC(=O)[C@H]1C[NH2+]CCN1c1ncccc1Br ZINC000088673302 185262001 /nfs/dbraw/zinc/26/20/01/185262001.db2.gz JGFLHRAYLWAJEC-SNVBAGLBSA-N 1 0 314.183 1.185 10 0 DDAERO NC(=O)[C@H]1C[NH2+]CCN1Cc1cc(Cl)ccc1OC(F)F ZINC000088672539 185262214 /nfs/dbraw/zinc/26/22/14/185262214.db2.gz SQAJKNPRWFQYAY-SNVBAGLBSA-N 1 0 319.739 1.201 10 0 DDAERO Cc1ccc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1CO ZINC000088876087 185267927 /nfs/dbraw/zinc/26/79/27/185267927.db2.gz ZVHLMZIJQJPQOJ-UHFFFAOYSA-N 1 0 312.435 1.202 10 0 DDAERO CC(C)(C)[C@@H]([NH3+])CS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000081990773 192350792 /nfs/dbraw/zinc/35/07/92/192350792.db2.gz GVQXZKSZARNINQ-LBPRGKRZSA-N 1 0 319.448 1.237 10 0 DDAERO C[NH2+][C@H]1CCC[C@@H]1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000081990676 192351216 /nfs/dbraw/zinc/35/12/16/192351216.db2.gz HQHVAYHOONOARP-STQMWFEESA-N 1 0 317.432 1.004 10 0 DDAERO CCc1ccc([C@@H](C[S@](=O)CCS(C)(=O)=O)[NH2+]C)cc1 ZINC000081993123 192351674 /nfs/dbraw/zinc/35/16/74/192351674.db2.gz XKGJYRSNYQSTKI-KUHUBIRLSA-N 1 0 317.476 1.303 10 0 DDAERO CS(=O)(=O)CC[S@@](=O)[C@@H]1CCCc2ccccc2[C@@H]1[NH3+] ZINC000081992368 192352078 /nfs/dbraw/zinc/35/20/78/192352078.db2.gz SHXFWXVIPGQOOV-TYILLQQXSA-N 1 0 315.460 1.185 10 0 DDAERO C[NH2+][C@@H](C[S@](=O)CCS(C)(=O)=O)c1ccc(C)cc1C ZINC000081992085 192352292 /nfs/dbraw/zinc/35/22/92/192352292.db2.gz NDAAJVVIKYSAKV-LIRRHRJNSA-N 1 0 317.476 1.357 10 0 DDAERO OC[C@H](O)C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000090281928 185289366 /nfs/dbraw/zinc/28/93/66/185289366.db2.gz XZRRCLQXRGRXDM-ZYHUDNBSSA-N 1 0 316.195 1.606 10 0 DDAERO C[C@@](O)(CO)C[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000090288504 185289606 /nfs/dbraw/zinc/28/96/06/185289606.db2.gz PCFBSOIHJPXMJW-LBPRGKRZSA-N 1 0 307.177 1.265 10 0 DDAERO CCN(C1C[NH2+]C1)S(=O)(=O)c1cccc(Br)c1 ZINC000090291402 185289629 /nfs/dbraw/zinc/28/96/29/185289629.db2.gz SWZSKQOEJSAUNR-UHFFFAOYSA-N 1 0 319.224 1.432 10 0 DDAERO CCc1nn(CC)c(CN(C)C2C[NH2+]C2)c1Br ZINC000090290155 185289655 /nfs/dbraw/zinc/28/96/55/185289655.db2.gz WASRLSIASYXSMY-UHFFFAOYSA-N 1 0 301.232 1.632 10 0 DDAERO CCN(C1C[NH2+]C1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000090291380 185289681 /nfs/dbraw/zinc/28/96/81/185289681.db2.gz SEEMDWMDFVBJKQ-UHFFFAOYSA-N 1 0 308.325 1.688 10 0 DDAERO CCCN(C1C[NH2+]C1)S(=O)(=O)c1cc(OC)ccc1OC ZINC000090293209 185289780 /nfs/dbraw/zinc/28/97/80/185289780.db2.gz GIIHTYBBSNXCLZ-UHFFFAOYSA-N 1 0 314.407 1.076 10 0 DDAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000090312917 185290804 /nfs/dbraw/zinc/29/08/04/185290804.db2.gz QUASOMDSZWLMSB-MJBXVCDLSA-N 1 0 312.435 1.395 10 0 DDAERO Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2)c1C ZINC000090321987 185290961 /nfs/dbraw/zinc/29/09/61/185290961.db2.gz GLWJEHIHIFAGLG-HUUCEWRRSA-N 1 0 308.447 1.760 10 0 DDAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cc(Br)c[nH]1 ZINC000090331276 185291445 /nfs/dbraw/zinc/29/14/45/185291445.db2.gz JUUAKPAVHCAWTO-UBHAPETDSA-N 1 0 312.211 1.847 10 0 DDAERO CCOC(=O)c1nc(CN2C[C@H]3C[NH2+]C[C@@H]3C2(C)C)cs1 ZINC000090337779 185291837 /nfs/dbraw/zinc/29/18/37/185291837.db2.gz RPFPBFMXGAYOLT-PWSUYJOCSA-N 1 0 309.435 1.750 10 0 DDAERO CSc1nc2ccc(NC(=O)[C@@H]3COC[C@@H]3[NH3+])cc2s1 ZINC000090379998 185293683 /nfs/dbraw/zinc/29/36/83/185293683.db2.gz UMEFZJJUZKEJHV-BDAKNGLRSA-N 1 0 309.416 1.930 10 0 DDAERO CSc1nc2ccc(NC(=O)[C@@H]3COC[C@H]3[NH3+])cc2s1 ZINC000090380000 185293796 /nfs/dbraw/zinc/29/37/96/185293796.db2.gz UMEFZJJUZKEJHV-RKDXNWHRSA-N 1 0 309.416 1.930 10 0 DDAERO CN(Cc1ccc(Br)cc1)C(=O)[C@H]1COC[C@@H]1[NH3+] ZINC000090381711 185293803 /nfs/dbraw/zinc/29/38/03/185293803.db2.gz JZKHWABBOJBTNW-RYUDHWBXSA-N 1 0 313.195 1.381 10 0 DDAERO C[C@]1(C(=O)Nc2ccc(Br)c(F)c2)COC[C@H]1[NH3+] ZINC000090605877 185306466 /nfs/dbraw/zinc/30/64/66/185306466.db2.gz YQCUOXVFRPGRMN-PWSUYJOCSA-N 1 0 317.158 1.891 10 0 DDAERO Cc1cccc(Cl)c1NC(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000090537646 185301569 /nfs/dbraw/zinc/30/15/69/185301569.db2.gz VIBCXQBBHODJEG-SNVBAGLBSA-N 1 0 304.799 1.349 10 0 DDAERO CN(C)S(=O)(=O)c1cccc(CSCC2C[NH2+]C2)c1 ZINC000090713183 185311213 /nfs/dbraw/zinc/31/12/13/185311213.db2.gz VBKQXNVJICREOH-UHFFFAOYSA-N 1 0 300.449 1.390 10 0 DDAERO O=C(Nc1cccc(Br)c1)c1cn(C2C[NH2+]C2)nn1 ZINC000092700165 185333849 /nfs/dbraw/zinc/33/38/49/185333849.db2.gz HZXONOQCOLGCLW-UHFFFAOYSA-N 1 0 322.166 1.437 10 0 DDAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)NCC1C(C)(C)C1(C)C ZINC000092833174 185344844 /nfs/dbraw/zinc/34/48/44/185344844.db2.gz PWMIUTRBRINHDF-GFCCVEGCSA-N 1 0 317.499 1.577 10 0 DDAERO CCN(c1ccc(C[NH3+])cc1)S(=O)(=O)c1cn(CC)cn1 ZINC000092889780 185348110 /nfs/dbraw/zinc/34/81/10/185348110.db2.gz JEFISTXUMDCCHG-UHFFFAOYSA-N 1 0 308.407 1.577 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000181413873 199292469 /nfs/dbraw/zinc/29/24/69/199292469.db2.gz XTNJRNBGKQUXQN-UONOGXRCSA-N 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CCNS(=O)(=O)c1ccc(N2CCC(CC[NH3+])CC2)cc1 ZINC000070188705 190869685 /nfs/dbraw/zinc/86/96/85/190869685.db2.gz YDGNKCNNURIZEX-UHFFFAOYSA-N 1 0 311.451 1.550 10 0 DDAERO [NH3+][C@@H]1CCN(c2ccc(-c3nc(-c4ccncc4)no3)cn2)C1 ZINC000070457863 190897453 /nfs/dbraw/zinc/89/74/53/190897453.db2.gz HUJOXTJTDGJLBG-CYBMUJFWSA-N 1 0 308.345 1.731 10 0 DDAERO CC[C@H](C)[C@@H]1CN(CCCS(C)(=O)=O)[C@H](C2CC2)C[NH2+]1 ZINC000071355285 190962030 /nfs/dbraw/zinc/96/20/30/190962030.db2.gz DWQOQSAKRXYFFV-QEJZJMRPSA-N 1 0 302.484 1.520 10 0 DDAERO C[NH+]1CCC(CNS(=O)(=O)c2cc(N)cc(F)c2)CC1 ZINC000071402965 190967606 /nfs/dbraw/zinc/96/76/06/190967606.db2.gz DOWGCCLFVWPQLG-UHFFFAOYSA-N 1 0 301.387 1.028 10 0 DDAERO NS(=O)(=O)c1ccc(N(CCC[NH3+])C2CCCC2)c(F)c1 ZINC000071390860 190965068 /nfs/dbraw/zinc/96/50/68/190965068.db2.gz CYLSXGBVFANITD-UHFFFAOYSA-N 1 0 315.414 1.571 10 0 DDAERO C[NH2+][C@@H](C[S@](=O)CCOC)c1ccc(OC)c(OC)c1 ZINC000084035544 192396116 /nfs/dbraw/zinc/39/61/16/192396116.db2.gz LONABTXHHLJYHM-YUNKPMOVSA-N 1 0 301.408 1.359 10 0 DDAERO CC[NH2+][C@@H](CC)C[S@@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084055495 192397341 /nfs/dbraw/zinc/39/73/41/192397341.db2.gz DUIVNQMNMJLHCE-VOJFVSQTSA-N 1 0 303.449 1.586 10 0 DDAERO C[NH2+]CC(=O)N1CCO[C@H](c2ccc3cc(OC)ccc3c2)C1 ZINC000071765130 191027385 /nfs/dbraw/zinc/02/73/85/191027385.db2.gz VFRFDGATZGKNJZ-KRWDZBQOSA-N 1 0 314.385 1.968 10 0 DDAERO COc1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1O ZINC000171902381 198005420 /nfs/dbraw/zinc/00/54/20/198005420.db2.gz FTCIXLVQSRHEIA-ZDUSSCGKSA-N 1 0 305.378 1.390 10 0 DDAERO COCc1cc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccc1F ZINC000171908027 198005827 /nfs/dbraw/zinc/00/58/27/198005827.db2.gz SWYGTBMXSIAXFO-OAHLLOKOSA-N 1 0 321.396 1.962 10 0 DDAERO CC(=O)N(c1nc(CN2CC[N@@H+]3CCC[C@@H]3C2)cs1)C1CC1 ZINC000172163406 198049725 /nfs/dbraw/zinc/04/97/25/198049725.db2.gz LAZQGTLNIHCDCB-OAHLLOKOSA-N 1 0 320.462 1.938 10 0 DDAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000623764288 366042211 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CC[C@@H](O)C[NH+]1CCN(C[C@H](O)COc2ccccc2C)CC1 ZINC000174093671 198290287 /nfs/dbraw/zinc/29/02/87/198290287.db2.gz FKUCUWURGWQELJ-SJORKVTESA-N 1 0 322.449 1.123 10 0 DDAERO Nc1nc2ccc(NC(=O)C[NH3+])cc2c(-c2ccccc2O)n1 ZINC000117415635 353994267 /nfs/dbraw/zinc/99/42/67/353994267.db2.gz NPEJTMDZONPIOW-UHFFFAOYSA-N 1 0 309.329 1.482 10 0 DDAERO CCOC(=O)c1c(C)cc(OC[C@H](O)C[NH+](CC)CC)nc1C ZINC000003604853 181039461 /nfs/dbraw/zinc/03/94/61/181039461.db2.gz WUWPMNXFQYGPBW-CQSZACIVSA-N 1 0 324.421 1.957 10 0 DDAERO COc1cc2c(cc1OC[C@H]1CCC[N@H+](C)C1)nc[nH]c2=O ZINC000144917814 354155828 /nfs/dbraw/zinc/15/58/28/354155828.db2.gz OPCISTOVOFVQIH-NSHDSACASA-N 1 0 303.362 1.652 10 0 DDAERO CCC[NH2+]CCNC(=O)[C@H](NC(=O)c1ccccc1F)C(C)C ZINC000236801102 202016183 /nfs/dbraw/zinc/01/61/83/202016183.db2.gz PFHLDAYZWNRRBA-OAHLLOKOSA-N 1 0 323.412 1.696 10 0 DDAERO OCCN1CCC[C@@H]([NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000384744775 354630041 /nfs/dbraw/zinc/63/00/41/354630041.db2.gz RGXVISYPRLFDSS-LJQANCHMSA-N 1 0 317.477 1.697 10 0 DDAERO CN1c2cc(C(=O)NCCC[NH+](C)C)ccc2OCCC1=O ZINC000074953602 191394934 /nfs/dbraw/zinc/39/49/34/191394934.db2.gz SLLUDKGLLKTZPF-UHFFFAOYSA-N 1 0 305.378 1.113 10 0 DDAERO CC[C@@H]1Nc2cc3c(cc2N(CCC[NH+](C)C)C1=O)OCCO3 ZINC000075275089 191455519 /nfs/dbraw/zinc/45/55/19/191455519.db2.gz MUUSFOJKFLTPRK-LBPRGKRZSA-N 1 0 319.405 1.947 10 0 DDAERO O=C(Nc1ccnn1C1CC[NH2+]CC1)c1ccc2c(c1)OCO2 ZINC000004993061 181186752 /nfs/dbraw/zinc/18/67/52/181186752.db2.gz MQWMZKBOTKCCCM-UHFFFAOYSA-N 1 0 314.345 1.789 10 0 DDAERO CCOC(=O)CN(Cc1ccccc1)C(=O)C[C@@H]([NH3+])C(C)C ZINC000592228404 355543978 /nfs/dbraw/zinc/54/39/78/355543978.db2.gz FOSZNCWIUBBXRZ-OAHLLOKOSA-N 1 0 306.406 1.952 10 0 DDAERO C[C@@]([NH3+])(CO)CCCSc1ccc(S(C)(=O)=O)cc1 ZINC000085290274 192487338 /nfs/dbraw/zinc/48/73/38/192487338.db2.gz BTRKFKKWKDMBIG-ZDUSSCGKSA-N 1 0 303.449 1.672 10 0 DDAERO C[C@H](O)[C@@H]([NH3+])CNC(=O)c1cc(Br)ccc1Cl ZINC000080698170 192183243 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C[C@H](C[NH2+]C(C)(C)C)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081542758 192287982 /nfs/dbraw/zinc/28/79/82/192287982.db2.gz GMDWPPCLRBTTOM-SECBINFHSA-N 1 0 305.348 1.889 10 0 DDAERO CC[NH2+]CCCCCN1CCn2c(nnc2C(F)(F)F)C1 ZINC000081542817 192288336 /nfs/dbraw/zinc/28/83/36/192288336.db2.gz CTOFMCWXOMDSPN-UHFFFAOYSA-N 1 0 305.348 1.892 10 0 DDAERO CCCN(c1ncncc1I)C1C[NH2+]C1 ZINC000085467228 192509910 /nfs/dbraw/zinc/50/99/10/192509910.db2.gz XJHLOLCLRABCAB-UHFFFAOYSA-N 1 0 318.162 1.269 10 0 DDAERO CCS(=O)(=O)N1CCC([NH2+][C@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085631037 192519170 /nfs/dbraw/zinc/51/91/70/192519170.db2.gz SCPNMRWLSYYEFB-RDBSUJKOSA-N 1 0 316.467 1.204 10 0 DDAERO CCC[C@@H]([NH3+])C(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1 ZINC000236937508 202081340 /nfs/dbraw/zinc/08/13/40/202081340.db2.gz PTHDNMRBDWNCHZ-CQSZACIVSA-N 1 0 315.377 1.054 10 0 DDAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000236919507 202072190 /nfs/dbraw/zinc/07/21/90/202072190.db2.gz BUEMYYTZFKJQHA-RISCZKNCSA-N 1 0 302.378 1.029 10 0 DDAERO CCc1ccc([C@@H](C)[NH2+]Cc2cn(C)c(=O)n(C)c2=O)cc1 ZINC000236957079 202093967 /nfs/dbraw/zinc/09/39/67/202093967.db2.gz KAPQXRISWPPEEV-GFCCVEGCSA-N 1 0 301.390 1.497 10 0 DDAERO CCC[C@H]([NH3+])C(=O)N(C)CC(=O)Nc1ccccc1SC ZINC000237035152 202130033 /nfs/dbraw/zinc/13/00/33/202130033.db2.gz YDPKSHQLWFVAOF-NSHDSACASA-N 1 0 309.435 1.933 10 0 DDAERO C[NH2+]CC1CCN(C(=O)c2ccc(-c3ncon3)cc2)CC1 ZINC000237086352 202149019 /nfs/dbraw/zinc/14/90/19/202149019.db2.gz BQESMYFUXKPBFK-UHFFFAOYSA-N 1 0 300.362 1.808 10 0 DDAERO Cc1ccc(CN(C)[C@@]2(C[NH3+])CCC[C@@H]2S(C)(=O)=O)cc1 ZINC000086676428 192590851 /nfs/dbraw/zinc/59/08/51/192590851.db2.gz MGALQDZZEUABLA-JKSUJKDBSA-N 1 0 310.463 1.721 10 0 DDAERO C[NH2+]CCCC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000237208681 202190001 /nfs/dbraw/zinc/19/00/01/202190001.db2.gz KJZNXWXLTGMUCL-SNVBAGLBSA-N 1 0 316.398 1.406 10 0 DDAERO CC[C@]1(C)C[NH2+][C@H](C2CC2)CN1CCCS(=O)(=O)CC ZINC000086982729 192606654 /nfs/dbraw/zinc/60/66/54/192606654.db2.gz JIKYFJRAILMBFB-LSDHHAIUSA-N 1 0 302.484 1.664 10 0 DDAERO C[NH2+]Cc1cc(S(=O)(=O)N2CCO[C@@H](C)C2)c(C)s1 ZINC000088914320 192655011 /nfs/dbraw/zinc/65/50/11/192655011.db2.gz DEWHUVFAWBOJIU-VIFPVBQESA-N 1 0 304.437 1.185 10 0 DDAERO C[NH2+]Cc1cccc(CS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000088912218 192652831 /nfs/dbraw/zinc/65/28/31/192652831.db2.gz ZBPFVSVUGZDUIA-STQMWFEESA-N 1 0 312.435 1.345 10 0 DDAERO CCC[NH2+]CCn1cc(S(=O)(=O)N(C)[C@H](C)CC)cn1 ZINC000088949172 192665824 /nfs/dbraw/zinc/66/58/24/192665824.db2.gz GHLRNEXTURNXKP-GFCCVEGCSA-N 1 0 302.444 1.302 10 0 DDAERO C[NH2+]CCCn1nc(C)c(S(=O)(=O)N2CCC[C@H]2C)c1C ZINC000088972144 192676187 /nfs/dbraw/zinc/67/61/87/192676187.db2.gz YVCBRGOWOAMBSV-LLVKDONJSA-N 1 0 314.455 1.282 10 0 DDAERO C[NH2+]CCn1nc(C)c(S(=O)(=O)N(C)[C@@H](C)C(C)C)c1C ZINC000088963010 192671489 /nfs/dbraw/zinc/67/14/89/192671489.db2.gz VWDUKKAQPCOBQJ-LBPRGKRZSA-N 1 0 316.471 1.384 10 0 DDAERO CC[C@H]1COCCN1S(=O)(=O)c1ccc(CC[NH2+]C)s1 ZINC000088970354 192673565 /nfs/dbraw/zinc/67/35/65/192673565.db2.gz SXDAWQBYAYBBKT-NSHDSACASA-N 1 0 318.464 1.310 10 0 DDAERO COc1ccc(S(=O)(=O)NC(C)C)c(CC[NH2+]C2CC2)c1 ZINC000088976959 192677786 /nfs/dbraw/zinc/67/77/86/192677786.db2.gz BLWUGAXMUJJRBR-UHFFFAOYSA-N 1 0 312.435 1.676 10 0 DDAERO CCC[C@@H](C(=O)NCCNC(=O)c1ccc(C)cc1)[NH+](C)C ZINC000179584145 199058509 /nfs/dbraw/zinc/05/85/09/199058509.db2.gz KDCSLVFMZHLXQU-HNNXBMFYSA-N 1 0 305.422 1.571 10 0 DDAERO Cn1cc(C[N@@H+]2CCC[C@@H](OCCO)C2)c(-c2ccncc2)n1 ZINC000179579488 199059109 /nfs/dbraw/zinc/05/91/09/199059109.db2.gz GYMWRSCIUSUCES-MRXNPFEDSA-N 1 0 316.405 1.455 10 0 DDAERO C[C@H]1C[C@H](C[NH3+])CN1c1ccccc1S(=O)(=O)C(F)F ZINC000216205215 291122340 /nfs/dbraw/zinc/12/23/40/291122340.db2.gz NMSXBPBDLUEBLC-VHSXEESVSA-N 1 0 304.362 1.856 10 0 DDAERO CO[C@@]1(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)CCOC1 ZINC000276717424 213065129 /nfs/dbraw/zinc/06/51/29/213065129.db2.gz PNFAVWDECDCBJO-YOEHRIQHSA-N 1 0 306.406 1.429 10 0 DDAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(-n2cncn2)cc1 ZINC000180590400 199180262 /nfs/dbraw/zinc/18/02/62/199180262.db2.gz WWBFELXWMIJHLY-OCCSQVGLSA-N 1 0 309.377 1.524 10 0 DDAERO COCCc1nc(C)c([C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)s1 ZINC000180608376 199184247 /nfs/dbraw/zinc/18/42/47/199184247.db2.gz SANBCDGQPKPPAH-PWSUYJOCSA-N 1 0 321.450 1.898 10 0 DDAERO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000180676961 199195205 /nfs/dbraw/zinc/19/52/05/199195205.db2.gz JNLHGVACAOZHOD-NEPJUHHUSA-N 1 0 315.377 1.367 10 0 DDAERO CN(CCOCC[NH3+])c1ccc(I)cn1 ZINC000600955495 358355604 /nfs/dbraw/zinc/35/56/04/358355604.db2.gz AKMFGIVMXILIJO-UHFFFAOYSA-N 1 0 321.162 1.098 10 0 DDAERO Cc1cc(N)ccc1NC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000005934843 181297683 /nfs/dbraw/zinc/29/76/83/181297683.db2.gz SUURJZLLNKVRKP-UHFFFAOYSA-N 1 0 304.379 1.262 10 0 DDAERO CN(C)S(=O)(=O)c1ccc(NC[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089501270 192804022 /nfs/dbraw/zinc/80/40/22/192804022.db2.gz WAPAWYXXRXMRNE-STQMWFEESA-N 1 0 311.451 1.724 10 0 DDAERO COc1ccc(S(=O)(=O)NC[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089532207 192811256 /nfs/dbraw/zinc/81/12/56/192811256.db2.gz DBUXGNCRGWHGKZ-QWHCGFSZSA-N 1 0 312.435 1.739 10 0 DDAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000237934646 202396350 /nfs/dbraw/zinc/39/63/50/202396350.db2.gz PEWQJMIBYRTBOB-HUUCEWRRSA-N 1 0 307.438 1.365 10 0 DDAERO COC(=O)COc1c(C)cc(C(=O)N2CC[NH2+][C@H](C)C2)cc1C ZINC000189014296 200335933 /nfs/dbraw/zinc/33/59/33/200335933.db2.gz RIULZNBSDUNJAZ-CYBMUJFWSA-N 1 0 320.389 1.289 10 0 DDAERO C[C@@H]([NH3+])CCNS(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000193253801 201014651 /nfs/dbraw/zinc/01/46/51/201014651.db2.gz FXAPYACKVCOOLQ-LLVKDONJSA-N 1 0 306.391 1.159 10 0 DDAERO C[C@@H](C[NH2+]CCCc1ccc2c(c1)CCO2)N1CCOCC1 ZINC000193267619 201017189 /nfs/dbraw/zinc/01/71/89/201017189.db2.gz HAIIEAGAIKVITB-HNNXBMFYSA-N 1 0 304.434 1.864 10 0 DDAERO COc1cc(C)c(S(=O)(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1C ZINC000193459485 201055541 /nfs/dbraw/zinc/05/55/41/201055541.db2.gz IPZQYRJJWQVBTG-QWHCGFSZSA-N 1 0 312.435 1.731 10 0 DDAERO CCCCOC[C@@H](O)C[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000195189233 201356608 /nfs/dbraw/zinc/35/66/08/201356608.db2.gz ZUFUWQZKERPERA-SFHVURJKSA-N 1 0 322.449 1.687 10 0 DDAERO CCN(C)C(=O)CC[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195299161 201375708 /nfs/dbraw/zinc/37/57/08/201375708.db2.gz ZHMGLUBSNQWNPO-KRWDZBQOSA-N 1 0 318.465 1.704 10 0 DDAERO CCC[NH2+]CC(C)(C)CN1CCSC[C@@H]1S(C)(=O)=O ZINC000090923747 192948089 /nfs/dbraw/zinc/94/80/89/192948089.db2.gz MLPFYDONPOUIOJ-LBPRGKRZSA-N 1 0 308.513 1.432 10 0 DDAERO CCS(=O)(=O)[C@H]1CSCCN1[C@@H](C)C[NH2+]CC(C)C ZINC000090928170 192950166 /nfs/dbraw/zinc/95/01/66/192950166.db2.gz BUGFZECDWLQKSC-STQMWFEESA-N 1 0 308.513 1.430 10 0 DDAERO CCC1(CN2CCSC[C@@H]2S(=O)(=O)CC)CC[NH2+]CC1 ZINC000090929437 192951845 /nfs/dbraw/zinc/95/18/45/192951845.db2.gz OQVARNXYIROKNK-ZDUSSCGKSA-N 1 0 320.524 1.576 10 0 DDAERO C[C@@H](N)c1nc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cs1 ZINC000090950623 192961994 /nfs/dbraw/zinc/96/19/94/192961994.db2.gz YDXAPPHENIOBIB-NEPJUHHUSA-N 1 0 308.451 1.863 10 0 DDAERO Cn1ccnc(N2CCC[C@@H]([NH2+]Cc3ccsc3)C2)c1=O ZINC000275481594 212361280 /nfs/dbraw/zinc/36/12/80/212361280.db2.gz IJJADPVPBGMWSK-CYBMUJFWSA-N 1 0 304.419 1.600 10 0 DDAERO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C2 ZINC000091303026 193035839 /nfs/dbraw/zinc/03/58/39/193035839.db2.gz KEPLUTFWEJFEIK-JBBSTSQOSA-N 1 0 310.394 1.252 10 0 DDAERO O=C(c1ccc(Br)nc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000091448076 193057779 /nfs/dbraw/zinc/05/77/79/193057779.db2.gz QJVHLBBLWALZLR-LLVKDONJSA-N 1 0 310.195 1.764 10 0 DDAERO CCCc1c(C[NH2+]CC(C)C)cnn1[C@H]1CCS(=O)(=O)C1 ZINC000091336121 193041936 /nfs/dbraw/zinc/04/19/36/193041936.db2.gz XYHFTOWFSATUJC-AWEZNQCLSA-N 1 0 313.467 1.941 10 0 DDAERO COCC[NH2+]Cc1cnn([C@H]2CCS(=O)(=O)C2)c1C(C)C ZINC000091336192 193043161 /nfs/dbraw/zinc/04/31/61/193043161.db2.gz GBQUOYVPTOZQRZ-ZDUSSCGKSA-N 1 0 315.439 1.102 10 0 DDAERO CCS(=O)(=O)CCn1ncc(C[NH2+]C(C)C)c1C(C)C ZINC000091339827 193043242 /nfs/dbraw/zinc/04/32/42/193043242.db2.gz YWMASEIDLHCCIO-UHFFFAOYSA-N 1 0 301.456 1.939 10 0 DDAERO CCC[NH2+]Cc1cnn([C@@H]2CCS(=O)(=O)C2)c1C(F)F ZINC000091336306 193043493 /nfs/dbraw/zinc/04/34/93/193043493.db2.gz JGCLICUVFSMXOL-SNVBAGLBSA-N 1 0 307.366 1.680 10 0 DDAERO CS(=O)(=O)c1ccc(F)c(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000091546215 193071511 /nfs/dbraw/zinc/07/15/11/193071511.db2.gz TVOVJXBEJZMOIM-IUCAKERBSA-N 1 0 300.355 1.295 10 0 DDAERO CCC[NH2+]C[C@@H](O)Cc1c(Br)c(C)nn1CC ZINC000091466556 193060542 /nfs/dbraw/zinc/06/05/42/193060542.db2.gz DLGHVODPYPEMLV-JTQLQIEISA-N 1 0 304.232 1.877 10 0 DDAERO Cc1cc([C@@H](C(N)=O)N2CC[NH2+]CC2)ccc1Br ZINC000091471528 193061189 /nfs/dbraw/zinc/06/11/89/193061189.db2.gz AVLOAQIAFPJESZ-LBPRGKRZSA-N 1 0 312.211 1.189 10 0 DDAERO CSC1(C(N)=S)CC[NH+]([C@H](C)C(=O)NC(C)(C)C)CC1 ZINC000091478935 193062330 /nfs/dbraw/zinc/06/23/30/193062330.db2.gz VEFFTKWOJDZFCY-SNVBAGLBSA-N 1 0 317.524 1.773 10 0 DDAERO Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[NH2+][C@H](C)CN1 ZINC000091480297 193062527 /nfs/dbraw/zinc/06/25/27/193062527.db2.gz PJWSLSBTGGTMDF-SKDRFNHKSA-N 1 0 301.312 1.902 10 0 DDAERO C[NH2+][C@@H](Cc1sccc1Br)[C@H]1CN(C)CCO1 ZINC000091717848 193097086 /nfs/dbraw/zinc/09/70/86/193097086.db2.gz LGNGQJVRLPKNAZ-WDEREUQCSA-N 1 0 319.268 1.972 10 0 DDAERO C[NH2+][C@@H](CCCS(C)(=O)=O)C1(N2CCCC2)CCCC1 ZINC000091641023 193083256 /nfs/dbraw/zinc/08/32/56/193083256.db2.gz FBGRBXUOMZHFSQ-AWEZNQCLSA-N 1 0 302.484 1.808 10 0 DDAERO CCC[C@@H]1CN(Cc2c(C)nn(C)c2OC)CC[N@@H+]1CCOC ZINC000091858503 193118739 /nfs/dbraw/zinc/11/87/39/193118739.db2.gz MRUXKSZKVBQDBF-OAHLLOKOSA-N 1 0 324.469 1.670 10 0 DDAERO CCC[NH2+]Cc1nc(C)ccc1OCCS(=O)(=O)CC ZINC000091995252 193137993 /nfs/dbraw/zinc/13/79/93/193137993.db2.gz LUQAWZXNMAUOBE-UHFFFAOYSA-N 1 0 300.424 1.703 10 0 DDAERO Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1N ZINC000092001379 193139207 /nfs/dbraw/zinc/13/92/07/193139207.db2.gz UUTLIKZXRSXGIY-OLZOCXBDSA-N 1 0 309.435 1.434 10 0 DDAERO C[NH2+]Cc1ccc(OC)c(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)c1 ZINC000092113693 193161324 /nfs/dbraw/zinc/16/13/24/193161324.db2.gz GNPBNOHHTOWBQA-RYUDHWBXSA-N 1 0 312.435 1.691 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)NC[C@@H]2CCCCO2)c(F)c1 ZINC000092115991 193163798 /nfs/dbraw/zinc/16/37/98/193163798.db2.gz KPOJTNKYDZQXRK-NSHDSACASA-N 1 0 302.371 1.132 10 0 DDAERO CCN(CC(C)(C)O)S(=O)(=O)c1cccc(F)c1C[NH3+] ZINC000092971607 193190641 /nfs/dbraw/zinc/19/06/41/193190641.db2.gz NXUVQDDNLQQLEZ-UHFFFAOYSA-N 1 0 304.387 1.066 10 0 DDAERO CC[N@H+](CC(=O)Nc1ccccc1C(N)=S)CC(C)(C)O ZINC000092967233 193189961 /nfs/dbraw/zinc/18/99/61/193189961.db2.gz QBEJNLNVNUKBIZ-UHFFFAOYSA-N 1 0 309.435 1.352 10 0 DDAERO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2nnc(-c3ccccn3)s2)O1 ZINC000261850345 203133998 /nfs/dbraw/zinc/13/39/98/203133998.db2.gz RMKPWKMEUYMPIP-SCZZXKLOSA-N 1 0 305.363 1.045 10 0 DDAERO Cc1cnc([C@@H](C)NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)s1 ZINC000262150346 203211157 /nfs/dbraw/zinc/21/11/57/203211157.db2.gz HQRCSASEMBZGFZ-RTXFEEFZSA-N 1 0 319.434 1.365 10 0 DDAERO O=C(Nc1cccc(CCC(F)(F)F)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262355053 203272952 /nfs/dbraw/zinc/27/29/52/203272952.db2.gz HUNYZGFSYGVQBI-RYUDHWBXSA-N 1 0 302.296 1.843 10 0 DDAERO COCC[NH2+]C[C@H](CCS(C)(=O)=O)c1ccccc1F ZINC000093179348 193212645 /nfs/dbraw/zinc/21/26/45/193212645.db2.gz YTWQYGMGBZGVPA-LBPRGKRZSA-N 1 0 303.399 1.580 10 0 DDAERO Cc1cc(Br)ccc1CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262503699 203312023 /nfs/dbraw/zinc/31/20/23/203312023.db2.gz KZKNRXPYIVXEAC-NEPJUHHUSA-N 1 0 313.195 1.097 10 0 DDAERO CCOC(=O)CC[NH2+][C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000093208127 193216490 /nfs/dbraw/zinc/21/64/90/193216490.db2.gz SSMKJCUZZKOQEC-NEPJUHHUSA-N 1 0 300.399 1.975 10 0 DDAERO C[C@H](C[C@H]1CCCC[NH2+]1)NCc1cccc(S(N)(=O)=O)c1 ZINC000093486043 193257913 /nfs/dbraw/zinc/25/79/13/193257913.db2.gz VLQKHKTUMSTFHL-TZMCWYRMSA-N 1 0 311.451 1.344 10 0 DDAERO Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H](C)N3CCOCC3)c(C)n2n1 ZINC000093371642 193241113 /nfs/dbraw/zinc/24/11/13/193241113.db2.gz PBKIPHALZCIGTG-ZIAGYGMSSA-N 1 0 317.437 1.717 10 0 DDAERO COCCN1C(=[NH2+])NC[C@H]1c1ccc(Br)cc1F ZINC000093380047 193241225 /nfs/dbraw/zinc/24/12/25/193241225.db2.gz RAHFCLOCRRAGRL-NSHDSACASA-N 1 0 316.174 1.906 10 0 DDAERO CC(C)[C@@H]1CN(CC(C)(C)S(C)(=O)=O)[C@@H](C(C)C)C[NH2+]1 ZINC000093525762 193264330 /nfs/dbraw/zinc/26/43/30/193264330.db2.gz MIMJKXJMRSOINI-UONOGXRCSA-N 1 0 304.500 1.764 10 0 DDAERO CC(C)[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCN(C)CC(F)(F)F ZINC000093589390 193271760 /nfs/dbraw/zinc/27/17/60/193271760.db2.gz PNOFMRCQEOJLOC-DGCLKSJQSA-N 1 0 309.376 1.893 10 0 DDAERO CS(=O)(=O)CCSCC[C@@H]1CCC[C@]1(CO)[NH2+]C1CC1 ZINC000093621989 193275114 /nfs/dbraw/zinc/27/51/14/193275114.db2.gz IAQQUSIYDMHOKA-GXTWGEPZSA-N 1 0 321.508 1.438 10 0 DDAERO Cc1nnc(SCC[C@H]2CCC[C@]2([NH2+]C(C)C)C(N)=O)o1 ZINC000093630237 193277016 /nfs/dbraw/zinc/27/70/16/193277016.db2.gz VHCQVGWCYUMCCL-BXUZGUMPSA-N 1 0 312.439 1.882 10 0 DDAERO CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCSc1cnccn1 ZINC000093630841 193277388 /nfs/dbraw/zinc/27/73/88/193277388.db2.gz OVOXHHJFTDLMOU-DOMZBBRYSA-N 1 0 308.451 1.981 10 0 DDAERO Cc1ccc(C[NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)s1 ZINC000093696769 193291631 /nfs/dbraw/zinc/29/16/31/193291631.db2.gz ALTNNVGZFHVQBU-LBPRGKRZSA-N 1 0 302.465 1.818 10 0 DDAERO CC[NH2+][C@H](C)c1ccn(C[C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000093698570 193292724 /nfs/dbraw/zinc/29/27/24/193292724.db2.gz MSANKNIVVXOPAJ-KGLIPLIRSA-N 1 0 313.467 1.830 10 0 DDAERO C[NH+](C)C1([C@@H](O)C[C@H]2CCCN(S(C)(=O)=O)C2)CCCC1 ZINC000093699748 193293214 /nfs/dbraw/zinc/29/32/14/193293214.db2.gz FQOXTSOKLZNFLP-KGLIPLIRSA-N 1 0 318.483 1.283 10 0 DDAERO Cc1ccccc1C[C@@H]([NH3+])C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700138 193294376 /nfs/dbraw/zinc/29/43/76/193294376.db2.gz FYUFZZSHNZMHIY-ZBFHGGJFSA-N 1 0 310.463 1.927 10 0 DDAERO CCC[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C(OC)OC ZINC000093700835 193295080 /nfs/dbraw/zinc/29/50/80/193295080.db2.gz RWKQFAMIDAKNRC-STQMWFEESA-N 1 0 322.471 1.035 10 0 DDAERO CS(=O)(=O)N1CCC[C@H](C[C@@H](C[NH3+])c2cccc(F)c2)C1 ZINC000093701663 193295167 /nfs/dbraw/zinc/29/51/67/193295167.db2.gz ZVYYUQYTAAIOJK-OCCSQVGLSA-N 1 0 314.426 1.930 10 0 DDAERO COC(=O)C(C)(C)CSc1nnnn1CC[NH2+]CC(C)C ZINC000093728563 193296187 /nfs/dbraw/zinc/29/61/87/193296187.db2.gz MTHVVFCNTUAJHZ-UHFFFAOYSA-N 1 0 315.443 1.210 10 0 DDAERO Cc1cc(C)nc(S[C@H]2CC[C@]([NH2+]C3CC3)(C(N)=O)C2)n1 ZINC000093852366 193318450 /nfs/dbraw/zinc/31/84/50/193318450.db2.gz MAVPCSIFWWVHDF-SWLSCSKDSA-N 1 0 306.435 1.714 10 0 DDAERO Cc1nnc(S[C@H]2CC[C@]([NH2+]C(C)C)(C(N)=O)C2)s1 ZINC000093851494 193318485 /nfs/dbraw/zinc/31/84/85/193318485.db2.gz PMNDCQJQVBYGLY-JOYOIKCWSA-N 1 0 300.453 1.713 10 0 DDAERO CCn1nc(C)c(Cl)c1C[C@@H]([NH2+]C)[C@@H]1CN(C)CCN1C ZINC000093894752 193324424 /nfs/dbraw/zinc/32/44/24/193324424.db2.gz WDJWBTVTSRNJKZ-OCCSQVGLSA-N 1 0 313.877 1.241 10 0 DDAERO CCn1nc(C)c(Cl)c1C[C@@H]([NH3+])[C@H]1CN(CC)CCO1 ZINC000093913898 193327514 /nfs/dbraw/zinc/32/75/14/193327514.db2.gz JIKIZHJSAYTREX-DGCLKSJQSA-N 1 0 300.834 1.455 10 0 DDAERO Cc1cc(F)ccc1S(=O)(=O)N(C)CC1CC[NH2+]CC1 ZINC000094023784 193339199 /nfs/dbraw/zinc/33/91/99/193339199.db2.gz BGJQPCOLPLXTSQ-UHFFFAOYSA-N 1 0 300.399 1.754 10 0 DDAERO CC(C)N(CC1CC[NH2+]CC1)C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000094023087 193339393 /nfs/dbraw/zinc/33/93/93/193339393.db2.gz JCUJOVBFAPPSCN-AWEZNQCLSA-N 1 0 316.467 1.048 10 0 DDAERO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(N)cc(F)c1C ZINC000094360407 193365873 /nfs/dbraw/zinc/36/58/73/193365873.db2.gz XKUXMARQIRTABL-JTQLQIEISA-N 1 0 317.430 1.725 10 0 DDAERO CC[NH2+]C[C@@]1(CN(C)CCS(C)(=O)=O)CCC[C@@H](C)C1 ZINC000094300489 193358677 /nfs/dbraw/zinc/35/86/77/193358677.db2.gz MKEZEFWMOHLPIQ-HUUCEWRRSA-N 1 0 304.500 1.769 10 0 DDAERO COCCN(CCOC)c1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334131 193360700 /nfs/dbraw/zinc/36/07/00/193360700.db2.gz NOZUEAUBJFGBRO-UHFFFAOYSA-N 1 0 307.316 1.658 10 0 DDAERO NC(=O)c1ccc(C(F)(F)F)nc1NC1CCC([NH3+])CC1 ZINC000094336436 193361072 /nfs/dbraw/zinc/36/10/72/193361072.db2.gz VCWHEHNMFCAVCX-UHFFFAOYSA-N 1 0 302.300 1.881 10 0 DDAERO Cc1cc(N)c(C)c(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)c1 ZINC000094358693 193364684 /nfs/dbraw/zinc/36/46/84/193364684.db2.gz UVVWEFUHEWWMTH-ZDUSSCGKSA-N 1 0 311.451 1.600 10 0 DDAERO CCC([NH3+])(CC)C(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000094244191 193354701 /nfs/dbraw/zinc/35/47/01/193354701.db2.gz BUQMJOFTMZDUEA-UHFFFAOYSA-N 1 0 319.814 1.443 10 0 DDAERO COc1ccc(O[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c(C[NH3+])c1 ZINC000094634430 193385583 /nfs/dbraw/zinc/38/55/83/193385583.db2.gz DQKPVVIVXXBCSA-KGLIPLIRSA-N 1 0 313.419 1.889 10 0 DDAERO CS(=O)(=O)[C@@H]1CCC[C@@H]([N@H+](CCC(N)=S)C2CC2)C1 ZINC000094636609 193387154 /nfs/dbraw/zinc/38/71/54/193387154.db2.gz QRKLXJPHMRQOLR-VXGBXAGGSA-N 1 0 304.481 1.483 10 0 DDAERO C[C@H](C(N)=S)N1CC[NH+]([C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000094376069 193367168 /nfs/dbraw/zinc/36/71/68/193367168.db2.gz SUZMVGDFOFSITL-ZIAGYGMSSA-N 1 0 311.495 1.770 10 0 DDAERO CC[NH2+][C@H]1[C@@H](CN2CCS(=O)CC2)C(C)(C)OC1(C)C ZINC000094428387 193368600 /nfs/dbraw/zinc/36/86/00/193368600.db2.gz IWNLWWVUNLEEHG-OLZOCXBDSA-N 1 0 302.484 1.232 10 0 DDAERO C[C@H]1SCCC[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000094475430 193372394 /nfs/dbraw/zinc/37/23/94/193372394.db2.gz VLYYHSKCAPTXSR-ZWNOBZJWSA-N 1 0 300.449 1.708 10 0 DDAERO [NH3+]C1(c2nc(-c3nc([C@@H]4CSCCO4)no3)c[nH]2)CCC1 ZINC000094502162 193374718 /nfs/dbraw/zinc/37/47/18/193374718.db2.gz ZARLYBBHSNRGNL-VIFPVBQESA-N 1 0 307.379 1.602 10 0 DDAERO [NH3+]C1(c2nc(-c3nc([C@H]4CSCCO4)no3)c[nH]2)CCC1 ZINC000094502163 193374855 /nfs/dbraw/zinc/37/48/55/193374855.db2.gz ZARLYBBHSNRGNL-SECBINFHSA-N 1 0 307.379 1.602 10 0 DDAERO C[C@H]1C[C@@H]([NH3+])CN(S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000094550185 193379025 /nfs/dbraw/zinc/37/90/25/193379025.db2.gz CFCCAWMFGWKPKO-WCBMZHEXSA-N 1 0 306.790 1.837 10 0 DDAERO C[C@]1(C(=O)Nc2cc(Br)ccc2O)COC[C@H]1[NH3+] ZINC000094573749 193381394 /nfs/dbraw/zinc/38/13/94/193381394.db2.gz HDGGDXTYABLGQW-PWSUYJOCSA-N 1 0 315.167 1.457 10 0 DDAERO C[C@@H](CNC(=O)c1cccc(C(F)(F)F)c1NN)[NH+](C)C ZINC000094599456 193382840 /nfs/dbraw/zinc/38/28/40/193382840.db2.gz QLFGGZXYZSNTRM-QMMMGPOBSA-N 1 0 304.316 1.671 10 0 DDAERO Brc1ccc2nc(NCC[C@H]3CC[NH2+]C3)nn2c1 ZINC000094608183 193384496 /nfs/dbraw/zinc/38/44/96/193384496.db2.gz WQQXPHALDICMFT-SECBINFHSA-N 1 0 310.199 1.903 10 0 DDAERO C[NH2+][C@H]1CCCN(c2nc3c(Br)cccn3n2)C1 ZINC000094607776 193384662 /nfs/dbraw/zinc/38/46/62/193384662.db2.gz GOBLUNZQVDTQJB-VIFPVBQESA-N 1 0 310.199 1.680 10 0 DDAERO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(N)c(F)cc2C)C1 ZINC000094779440 193396603 /nfs/dbraw/zinc/39/66/03/193396603.db2.gz HQFQITITASWMFC-NSHDSACASA-N 1 0 315.414 1.479 10 0 DDAERO Cc1cc(F)c(N)cc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000094779557 193397036 /nfs/dbraw/zinc/39/70/36/193397036.db2.gz GPFRYDALQFLUIP-NSHDSACASA-N 1 0 315.414 1.336 10 0 DDAERO CCC[NH2+]Cc1c[nH]nc1S(=O)(=O)N1CCC(C)(C)C1 ZINC000094814913 193399963 /nfs/dbraw/zinc/39/99/63/193399963.db2.gz XBRSOVKUCMODDD-UHFFFAOYSA-N 1 0 300.428 1.330 10 0 DDAERO COc1ccccc1Cc1cc(=O)[nH]c(N[C@@H](C)C[NH+](C)C)n1 ZINC000019455949 182123522 /nfs/dbraw/zinc/12/35/22/182123522.db2.gz FSBXYNVXJGAROW-LBPRGKRZSA-N 1 0 316.405 1.731 10 0 DDAERO CO[C@@H](C(C)C)[C@@H](NN)c1c(Cl)cnn1CC[NH+](C)C ZINC000097649601 193743120 /nfs/dbraw/zinc/74/31/20/193743120.db2.gz HEDBSHQXDVVURZ-AAEUAGOBSA-N 1 0 303.838 1.274 10 0 DDAERO [NH3+]Cc1cc(Br)ccc1O[C@@H]1CCCCNC1=O ZINC000020483434 182223040 /nfs/dbraw/zinc/22/30/40/182223040.db2.gz CXXUYAMTCGDNSH-GFCCVEGCSA-N 1 0 313.195 1.955 10 0 DDAERO NC(=S)c1cccc(NC(=O)CC[NH+]2CCC(O)CC2)c1 ZINC000021513843 182277189 /nfs/dbraw/zinc/27/71/89/182277189.db2.gz SWAHDZHAIWBBBG-UHFFFAOYSA-N 1 0 307.419 1.106 10 0 DDAERO O=C([C@@H]1CSCN1)N1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC000096268275 284516242 /nfs/dbraw/zinc/51/62/42/284516242.db2.gz MKDBEMDVNWILFN-HNNXBMFYSA-N 1 0 317.458 1.313 10 0 DDAERO C[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(=O)c1cncc(Br)c1 ZINC000036259927 182811310 /nfs/dbraw/zinc/81/13/10/182811310.db2.gz RFGYVWIJZBHHNB-PTRXPTGYSA-N 1 0 310.195 1.667 10 0 DDAERO COc1cc(C[NH3+])cc(Br)c1OCc1ncon1 ZINC000037711809 182919277 /nfs/dbraw/zinc/91/92/77/182919277.db2.gz AWUNDEMOBNTMKO-UHFFFAOYSA-N 1 0 314.139 1.878 10 0 DDAERO CC[C@H](C)NC(=O)CC[NH2+]C[C@@H](O)COC1CCCCC1 ZINC000038014366 182964048 /nfs/dbraw/zinc/96/40/48/182964048.db2.gz OPRPBKQVGDJMGX-UONOGXRCSA-N 1 0 300.443 1.591 10 0 DDAERO CC(=O)c1ccc(S(=O)(=O)NC[C@@H](C(C)C)[NH+](C)C)cc1 ZINC000040429974 183066020 /nfs/dbraw/zinc/06/60/20/183066020.db2.gz RJERIMXZOQFZEG-HNNXBMFYSA-N 1 0 312.435 1.754 10 0 DDAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)N[C@H]1CCO[C@@H]1c1cccnc1 ZINC000333811885 249114713 /nfs/dbraw/zinc/11/47/13/249114713.db2.gz JMAAFWJPWGYXPC-REBRKWNGSA-N 1 0 304.394 1.351 10 0 DDAERO CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000333851593 249126615 /nfs/dbraw/zinc/12/66/15/249126615.db2.gz QBXGEAOHFCAUCH-XUXIUFHCSA-N 1 0 321.425 1.173 10 0 DDAERO CC1CC[NH+](CCNc2ccc(S(C)(=O)=O)cc2N)CC1 ZINC000040771501 183131714 /nfs/dbraw/zinc/13/17/14/183131714.db2.gz DUZCHSZIHHXFFZ-UHFFFAOYSA-N 1 0 311.451 1.816 10 0 DDAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cccc(Cl)c1 ZINC000040749847 183129026 /nfs/dbraw/zinc/12/90/26/183129026.db2.gz GCQASZCNIJCBQD-YOGCLGLASA-N 1 0 300.811 1.983 10 0 DDAERO Nc1csc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000041068401 183162511 /nfs/dbraw/zinc/16/25/11/183162511.db2.gz LBFHQTXLOPOQCT-GFCCVEGCSA-N 1 0 315.464 1.579 10 0 DDAERO CCOc1cc(Cl)c([C@H]([NH3+])COCC(N)=O)cc1OCC ZINC000041072146 183163428 /nfs/dbraw/zinc/16/34/28/183163428.db2.gz CCYMOIUQUSFUSR-LLVKDONJSA-N 1 0 316.785 1.639 10 0 DDAERO CC[NH+](CC)[C@H](CNC(=O)CCNC(C)=O)c1ccccc1 ZINC000041309086 183184731 /nfs/dbraw/zinc/18/47/31/183184731.db2.gz LFONRVAZLCPOFB-MRXNPFEDSA-N 1 0 305.422 1.712 10 0 DDAERO O=C1c2ccccc2C(=O)N1CCC[N@H+]1CC[C@@H](CCO)C1 ZINC000336861069 249269258 /nfs/dbraw/zinc/26/92/58/249269258.db2.gz XDHZGCSRQJNOQC-ZDUSSCGKSA-N 1 0 302.374 1.377 10 0 DDAERO COc1cccc(-n2nc(C(=O)NCC[NH+](C)C)cc2C)c1 ZINC000041455487 183192434 /nfs/dbraw/zinc/19/24/34/183192434.db2.gz FCWFOHIKVYJZML-UHFFFAOYSA-N 1 0 302.378 1.481 10 0 DDAERO CNC(=O)[C@@H](C)Oc1c(Br)cccc1C[NH2+]C ZINC000042411509 183265298 /nfs/dbraw/zinc/26/52/98/183265298.db2.gz PIEQOEHCVWCGRB-MRVPVSSYSA-N 1 0 301.184 1.682 10 0 DDAERO C[C@@H]([NH3+])Cc1cccc(Br)c1OC[C@H](C)C(N)=O ZINC000042412815 183266782 /nfs/dbraw/zinc/26/67/82/183266782.db2.gz HGIYQOCINYMFEK-DTWKUNHWSA-N 1 0 315.211 1.839 10 0 DDAERO CCO[C@@H]1CCCN(S(=O)(=O)c2ccc(CC[NH3+])s2)C1 ZINC000042425734 183268581 /nfs/dbraw/zinc/26/85/81/183268581.db2.gz VCCCCIHQYQHVAZ-LLVKDONJSA-N 1 0 318.464 1.439 10 0 DDAERO CCO[C@H]1CCCN(S(=O)(=O)CC[C@@H]2CCCC[NH2+]2)C1 ZINC000042425257 183268708 /nfs/dbraw/zinc/26/87/08/183268708.db2.gz LBURTBXRXNNNDH-KBPBESRZSA-N 1 0 304.456 1.349 10 0 DDAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(C(N)=S)ccc1F ZINC000042428950 183269441 /nfs/dbraw/zinc/26/94/41/183269441.db2.gz WAPXREXLHPPSGU-GXSJLCMTSA-N 1 0 309.410 1.546 10 0 DDAERO C[NH2+]Cc1c(N2C[C@H](C(N)=O)CC[C@@H]2C)nc2sccn12 ZINC000042438282 183270060 /nfs/dbraw/zinc/27/00/60/183270060.db2.gz LNAFCUXOGDGKMU-VHSXEESVSA-N 1 0 307.423 1.205 10 0 DDAERO CO[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000042477471 183274278 /nfs/dbraw/zinc/27/42/78/183274278.db2.gz ZZUCUCKNSRQBPA-GJZGRUSLSA-N 1 0 312.435 1.424 10 0 DDAERO CNC(=O)[C@H](C)[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000042341805 183256695 /nfs/dbraw/zinc/25/66/95/183256695.db2.gz IBLYNVRWTTYFAD-ZETCQYMHSA-N 1 0 317.183 1.387 10 0 DDAERO CC[NH2+]Cc1c(N2CCC[C@@H]2C(=O)NC)nc2sccn12 ZINC000042395922 183263256 /nfs/dbraw/zinc/26/32/56/183263256.db2.gz VQPJHYUPLUFPLI-SNVBAGLBSA-N 1 0 307.423 1.220 10 0 DDAERO CN1CC[C@@H]([NH2+]Cc2ccc(I)o2)C1 ZINC000042545734 183283369 /nfs/dbraw/zinc/28/33/69/183283369.db2.gz ZZJGYKMTBFNWGC-MRVPVSSYSA-N 1 0 306.147 1.678 10 0 DDAERO CCn1cc(Br)cc1C(=O)N[C@H]1CC[N@H+](C)C1 ZINC000042549371 183283804 /nfs/dbraw/zinc/28/38/04/183283804.db2.gz NJCRNRGVSFEBMO-JTQLQIEISA-N 1 0 300.200 1.704 10 0 DDAERO CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(C)CC(N)=O ZINC000042953045 183321950 /nfs/dbraw/zinc/32/19/50/183321950.db2.gz XBGKOVRDKHQXKL-WCQYABFASA-N 1 0 314.227 1.645 10 0 DDAERO C[C@@H]([NH3+])[C@@H](c1ccccc1F)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043044129 183332132 /nfs/dbraw/zinc/33/21/32/183332132.db2.gz SLZCDBKWNRABLL-GYSYKLTISA-N 1 0 300.399 1.333 10 0 DDAERO Cc1nnc(N(CC[NH+](C)C)CC(C)C)c(C(N)=S)c1C ZINC000042781013 183308425 /nfs/dbraw/zinc/30/84/25/183308425.db2.gz VQOGVYAKSDIMTE-UHFFFAOYSA-N 1 0 309.483 1.752 10 0 DDAERO COc1ccccc1[C@H](Sc1nc(N)cc(=O)[nH]1)[C@@H](C)[NH3+] ZINC000043102001 183338371 /nfs/dbraw/zinc/33/83/71/183338371.db2.gz XLSFYJPBGHVZCR-AMIZOPFISA-N 1 0 306.391 1.541 10 0 DDAERO NC(=O)[C@H]1CCCN1[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000043259442 183348885 /nfs/dbraw/zinc/34/88/85/183348885.db2.gz WIXNRBUEQOBTHG-SFYZADRCSA-N 1 0 318.240 1.460 10 0 DDAERO CCC[NH2+][C@@H](c1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000043301474 183352452 /nfs/dbraw/zinc/35/24/52/183352452.db2.gz TWICPWFQJAOFPT-DOMZBBRYSA-N 1 0 311.403 1.891 10 0 DDAERO [NH3+][C@@H](c1cc2c(c(Cl)c1)OCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000043300081 183352563 /nfs/dbraw/zinc/35/25/63/183352563.db2.gz XMWVAZMLCRKJTG-RDDDGLTNSA-N 1 0 303.767 1.503 10 0 DDAERO CC[C@H]([NH3+])[C@@H](N1CCN(c2nccs2)CC1)C(F)(F)F ZINC000043376707 183357055 /nfs/dbraw/zinc/35/70/55/183357055.db2.gz NJUMGELLSWUQLD-VHSXEESVSA-N 1 0 308.373 1.933 10 0 DDAERO COC[C@@H](C)NC(=O)COc1ccc(C[C@H](C)[NH3+])cc1Cl ZINC000043491643 183366303 /nfs/dbraw/zinc/36/63/03/183366303.db2.gz FJABYDCKMZPMJC-WDEREUQCSA-N 1 0 314.813 1.760 10 0 DDAERO C[NH+]1CCC(n2ncc(I)c2N)CC1 ZINC000043666568 183377445 /nfs/dbraw/zinc/37/74/45/183377445.db2.gz BLINHRGWFMHWIK-UHFFFAOYSA-N 1 0 306.151 1.337 10 0 DDAERO COc1cc(Cl)c(NC(=O)[C@H]2C[NH2+]CCO2)cc1OC ZINC000043708812 183382897 /nfs/dbraw/zinc/38/28/97/183382897.db2.gz IEIVHRZMKKHLEE-GFCCVEGCSA-N 1 0 300.742 1.284 10 0 DDAERO CC(C)C[C@H](NS(=O)(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000044374966 183406883 /nfs/dbraw/zinc/40/68/83/183406883.db2.gz WNMHQULSBNGCKF-HNNXBMFYSA-N 1 0 311.451 1.513 10 0 DDAERO C[NH2+][C@@](C)(CCCSc1ncnc2ccccc21)C(N)=O ZINC000045594790 183518011 /nfs/dbraw/zinc/51/80/11/183518011.db2.gz YFPURDPEWSEEFZ-HNNXBMFYSA-N 1 0 304.419 1.966 10 0 DDAERO CC(C)[N@H+](C)CCCCNS(=O)(=O)c1cc(N)ccc1F ZINC000045665655 183522938 /nfs/dbraw/zinc/52/29/38/183522938.db2.gz VHGONIJQWYCDGR-UHFFFAOYSA-N 1 0 317.430 1.807 10 0 DDAERO Cc1cncc(C[N@H+]2CC[C@](O)(c3cn(C(C)C)nn3)C2)c1 ZINC000284521708 218062984 /nfs/dbraw/zinc/06/29/84/218062984.db2.gz CSQWOOUCJMYHAE-MRXNPFEDSA-N 1 0 301.394 1.656 10 0 DDAERO C[C@@](O)(C[NH+]1CCC(N2CCCC2=O)CC1)c1ccccc1 ZINC000104730950 194030677 /nfs/dbraw/zinc/03/06/77/194030677.db2.gz QEWVQGMWTYKZFT-GOSISDBHSA-N 1 0 302.418 1.981 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2nnc(C(C)C)n2C)C[C@@H]1C ZINC000105835598 194142190 /nfs/dbraw/zinc/14/21/90/194142190.db2.gz BEMLWNVDPPBTMM-AWEZNQCLSA-N 1 0 309.458 1.481 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2nnc(C)n2C2CC2)C[C@@H]1CC ZINC000105838602 194143902 /nfs/dbraw/zinc/14/39/02/194143902.db2.gz UIMRDQFKLAKCDC-HNNXBMFYSA-N 1 0 321.469 1.854 10 0 DDAERO CCCc1nc(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)no1 ZINC000105862685 194149316 /nfs/dbraw/zinc/14/93/16/194149316.db2.gz NZFQTLFMDSBNGJ-CYBMUJFWSA-N 1 0 310.442 1.547 10 0 DDAERO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cc1 ZINC000105871272 194151915 /nfs/dbraw/zinc/15/19/15/194151915.db2.gz QPJCFAAAEWTWIW-DGCLKSJQSA-N 1 0 315.377 1.218 10 0 DDAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000105874113 194153864 /nfs/dbraw/zinc/15/38/64/194153864.db2.gz XKBBMIRUUBFRNQ-JSGCOSHPSA-N 1 0 321.469 1.999 10 0 DDAERO CN(C(=O)C[N@@H+]1CCC[C@H](Cn2cncn2)C1)c1ccccc1 ZINC000105883040 194156383 /nfs/dbraw/zinc/15/63/83/194156383.db2.gz NYOBPSWZQZINKB-HNNXBMFYSA-N 1 0 313.405 1.653 10 0 DDAERO Cc1ccc(NC(=O)[C@H](C)[NH2+]C[C@H]2CN(C)CCO2)cc1F ZINC000105932598 194173548 /nfs/dbraw/zinc/17/35/48/194173548.db2.gz YVSYGVJPQPJKQM-JSGCOSHPSA-N 1 0 309.385 1.381 10 0 DDAERO COCC[N@@H+]1CCN(Cc2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000106106880 194185380 /nfs/dbraw/zinc/18/53/80/194185380.db2.gz HVYXFLCKFVENTM-AWEZNQCLSA-N 1 0 306.406 1.610 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2ccoc2C(=O)OC)C[C@@H]1CC ZINC000106118014 194188260 /nfs/dbraw/zinc/18/82/60/194188260.db2.gz RIJHMVMIVFQHJU-HNNXBMFYSA-N 1 0 324.421 1.999 10 0 DDAERO COCC[NH2+]CCCCOc1cccc(S(C)(=O)=O)c1 ZINC000053589241 183907329 /nfs/dbraw/zinc/90/73/29/183907329.db2.gz KBZBZPRHDXQQMK-UHFFFAOYSA-N 1 0 301.408 1.485 10 0 DDAERO CN(C(=O)Cc1ccc(C(N)=S)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000110615497 194342457 /nfs/dbraw/zinc/34/24/57/194342457.db2.gz GYQVJEOCFQJWEZ-AWEZNQCLSA-N 1 0 305.447 1.416 10 0 DDAERO CC[NH2+][C@H](CCN(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000053933703 183916111 /nfs/dbraw/zinc/91/61/11/183916111.db2.gz RUHGZRQDVUHIPP-HZPDHXFCSA-N 1 0 310.463 1.846 10 0 DDAERO COC(=O)CCN(CC(F)(F)F)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054308035 183933614 /nfs/dbraw/zinc/93/36/14/183933614.db2.gz LHILBQQCIXEVBV-JTQLQIEISA-N 1 0 310.316 1.330 10 0 DDAERO Cc1ccc(S(=O)(=O)NC2CCN(CC[NH3+])CC2)cc1C ZINC000110826962 194362190 /nfs/dbraw/zinc/36/21/90/194362190.db2.gz LOCILDPMBDBFLX-UHFFFAOYSA-N 1 0 311.451 1.005 10 0 DDAERO NC(=S)C[NH+]1CCC(NC(=O)c2ccccc2Cl)CC1 ZINC000110825755 194362420 /nfs/dbraw/zinc/36/24/20/194362420.db2.gz XHEPQYBHJWDBNL-UHFFFAOYSA-N 1 0 311.838 1.820 10 0 DDAERO CNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000059917585 184142496 /nfs/dbraw/zinc/14/24/96/184142496.db2.gz OBKNHNVZHOFIQL-MRVPVSSYSA-N 1 0 303.284 1.639 10 0 DDAERO CCC[NH2+][C@@H](Cc1ncc(C)c(OC)c1C)CS(C)(=O)=O ZINC000060706334 184154706 /nfs/dbraw/zinc/15/47/06/184154706.db2.gz HLQBLIWJMCAYTR-ZDUSSCGKSA-N 1 0 314.451 1.662 10 0 DDAERO CC[NH2+]CCC(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000061298827 184167778 /nfs/dbraw/zinc/16/77/78/184167778.db2.gz CGUJRQPZOIYZDV-UHFFFAOYSA-N 1 0 313.423 1.311 10 0 DDAERO CC[NH2+]C(C)(C)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000061291009 184167995 /nfs/dbraw/zinc/16/79/95/184167995.db2.gz IXWMFHATLMKWIC-UHFFFAOYSA-N 1 0 313.423 1.277 10 0 DDAERO C[NH2+]C(C)(C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000061318560 184168298 /nfs/dbraw/zinc/16/82/98/184168298.db2.gz DMVCJBFNRJERSE-UHFFFAOYSA-N 1 0 313.423 1.182 10 0 DDAERO COc1cccc([C@H](C[NH3+])Sc2n[nH]c(=O)n2C(C)C)c1 ZINC000061595065 184176642 /nfs/dbraw/zinc/17/66/42/184176642.db2.gz QPZWCPJNUWVHJC-LBPRGKRZSA-N 1 0 308.407 1.953 10 0 DDAERO Cc1cc(N)cc(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)c1C ZINC000061642514 184180472 /nfs/dbraw/zinc/18/04/72/184180472.db2.gz VCPKFDXGBKRJQV-AWEZNQCLSA-N 1 0 311.451 1.600 10 0 DDAERO CC[C@H](Oc1c(Br)cc(C[NH3+])cc1OC)C(N)=O ZINC000061675952 184181926 /nfs/dbraw/zinc/18/19/26/184181926.db2.gz MPYYMLKLYQQUEC-VIFPVBQESA-N 1 0 317.183 1.559 10 0 DDAERO C[C@H]1CCC[C@@H](C(=O)N2CCN(CC(F)(F)F)CC2)[C@@H]1[NH3+] ZINC000061950883 184198465 /nfs/dbraw/zinc/19/84/65/184198465.db2.gz BAHZQAXNILIDSB-QJPTWQEYSA-N 1 0 307.360 1.456 10 0 DDAERO CN(C)S(=O)(=O)c1cccc(N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000061981673 184199483 /nfs/dbraw/zinc/19/94/83/184199483.db2.gz UMNSMDPEISBLPC-CYBMUJFWSA-N 1 0 309.435 1.586 10 0 DDAERO CCC[NH2+][C@@H]1CCC2(C[C@H]1N(C)CCCOC)OCCO2 ZINC000062031290 184202146 /nfs/dbraw/zinc/20/21/46/184202146.db2.gz KCCBIYWNOWMRQI-HUUCEWRRSA-N 1 0 300.443 1.619 10 0 DDAERO CC[C@@H]([NH3+])[C@@H](c1ccsc1)N1CCN(S(C)(=O)=O)CC1 ZINC000062081598 184205003 /nfs/dbraw/zinc/20/50/03/184205003.db2.gz RMLDBCLLLZESET-CHWSQXEVSA-N 1 0 317.480 1.104 10 0 DDAERO C[C@@H]1CC(C)(C)C[C@@](C[NH3+])(N2CCN(S(C)(=O)=O)CC2)C1 ZINC000062082480 184205057 /nfs/dbraw/zinc/20/50/57/184205057.db2.gz RMSUWOMHMLBUNU-HIFRSBDPSA-N 1 0 317.499 1.107 10 0 DDAERO CC(C)[NH2+]Cc1c(N2CCNC(=O)CC2)nc2sccn12 ZINC000062101568 184205965 /nfs/dbraw/zinc/20/59/65/184205965.db2.gz DKVASSRNMWNKQA-UHFFFAOYSA-N 1 0 307.423 1.220 10 0 DDAERO C[C@@H]([NH3+])Cc1ccc(OCC(=O)N(C)C)c(Br)c1 ZINC000062704185 184248646 /nfs/dbraw/zinc/24/86/46/184248646.db2.gz ZKQUBXSSMLRWJF-SECBINFHSA-N 1 0 315.211 1.806 10 0 DDAERO CC[C@@H](Oc1ccc(C[C@@H](C)[NH3+])cc1Br)C(N)=O ZINC000062704020 184248878 /nfs/dbraw/zinc/24/88/78/184248878.db2.gz BHJNKDSOLRTJRX-LDYMZIIASA-N 1 0 315.211 1.982 10 0 DDAERO NNc1cc(S(=O)(=O)N2CCC3(CCCC3)CC2)cc[nH+]1 ZINC000062960041 184262236 /nfs/dbraw/zinc/26/22/36/184262236.db2.gz AGICLEIDXRDXSA-UHFFFAOYSA-N 1 0 310.423 1.712 10 0 DDAERO COCC[NH2+]Cc1c(N2CCC[C@@H]2CO)nc2sccn12 ZINC000062736781 184251559 /nfs/dbraw/zinc/25/15/59/184251559.db2.gz CPZWVQUJSFUKTH-LLVKDONJSA-N 1 0 310.423 1.093 10 0 DDAERO C[C@@H]1CN[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C[NH2+]1 ZINC000062813884 184254294 /nfs/dbraw/zinc/25/42/94/184254294.db2.gz ILZWOXXISWWIPZ-LDYMZIIASA-N 1 0 303.284 1.474 10 0 DDAERO CC[C@@]1(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)CC[NH2+]C1 ZINC000062895378 184258839 /nfs/dbraw/zinc/25/88/39/184258839.db2.gz WZLJZZJGGRSMPY-IIAWOOMASA-N 1 0 312.479 1.889 10 0 DDAERO CC[C@@]1(C(=O)N2CCN(Cc3ccsc3)CC2)CC[NH2+]C1 ZINC000062894720 184259000 /nfs/dbraw/zinc/25/90/00/184259000.db2.gz SQAHKPGUSHWDBA-MRXNPFEDSA-N 1 0 307.463 1.782 10 0 DDAERO [NH3+]C[C@]1(N(Cc2cccs2)C2CC2)CCS(=O)(=O)C1 ZINC000062962613 184262837 /nfs/dbraw/zinc/26/28/37/184262837.db2.gz DPVHENAZLWSKGF-CYBMUJFWSA-N 1 0 300.449 1.229 10 0 DDAERO Cc1nc(Cl)sc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000062970722 184263470 /nfs/dbraw/zinc/26/34/70/184263470.db2.gz GSKPCPNLPRVIJU-MRVPVSSYSA-N 1 0 309.844 1.430 10 0 DDAERO [NH3+][C@H]1CCC[C@@H]1NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000063175482 184276289 /nfs/dbraw/zinc/27/62/89/184276289.db2.gz PVYJJUUMJCJTMU-IUCAKERBSA-N 1 0 324.324 1.743 10 0 DDAERO [NH3+][C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000063175309 184276320 /nfs/dbraw/zinc/27/63/20/184276320.db2.gz POOCRCDFCMLNNS-GHMZBOCLSA-N 1 0 308.325 1.864 10 0 DDAERO COCC1CC[NH+](CC[C@@](C)(NC(C)C)C(=O)OC)CC1 ZINC000069507529 184520760 /nfs/dbraw/zinc/52/07/60/184520760.db2.gz XRYPTCZQSYEZNE-MRXNPFEDSA-N 1 0 300.443 1.665 10 0 DDAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc2c(c1)[C@H](C)C(=O)N2 ZINC000115687153 194697715 /nfs/dbraw/zinc/69/77/15/194697715.db2.gz NLNSLJDRWXQLRG-UWVGGRQHSA-N 1 0 311.407 1.148 10 0 DDAERO Cn1cc([C@H]2CCN(C(=O)NCCC3CC[NH+](C)CC3)C2)cn1 ZINC000116545130 194755197 /nfs/dbraw/zinc/75/51/97/194755197.db2.gz NMOUNOIZFILYFY-HNNXBMFYSA-N 1 0 319.453 1.651 10 0 DDAERO COC(=O)c1ccc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)s1 ZINC000119686865 195017017 /nfs/dbraw/zinc/01/70/17/195017017.db2.gz TYCKMRSCZQKPSZ-OCCSQVGLSA-N 1 0 324.446 1.687 10 0 DDAERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)C3CC=CC3)CC2)C1 ZINC000119907465 195059792 /nfs/dbraw/zinc/05/97/92/195059792.db2.gz CBSTXXYYXURAMX-KRWDZBQOSA-N 1 0 321.465 1.206 10 0 DDAERO Cc1cc(C)cc(CCNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000156178297 197093162 /nfs/dbraw/zinc/09/31/62/197093162.db2.gz IFERFEDCDZBSOW-KRWDZBQOSA-N 1 0 319.449 1.818 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CN(C)C(=O)OC(C)(C)C ZINC000177029478 285234688 /nfs/dbraw/zinc/23/46/88/285234688.db2.gz YEEPFLLHCGZYPB-CYBMUJFWSA-N 1 0 313.442 1.796 10 0 DDAERO CC[C@@H]1CN(Cc2cccc3c2OCO3)CC[N@@H+]1CCOC ZINC000120927812 195266238 /nfs/dbraw/zinc/26/62/38/195266238.db2.gz NDIAXPHLJLTMLF-OAHLLOKOSA-N 1 0 306.406 1.958 10 0 DDAERO Cc1ccc(CN2CCO[C@@H]3C[N@@H+](C4CCOCC4)C[C@@H]32)o1 ZINC000248117158 257108681 /nfs/dbraw/zinc/10/86/81/257108681.db2.gz SUVFLCCKDXZXLR-DLBZAZTESA-N 1 0 306.406 1.652 10 0 DDAERO Cc1cc(CN2CC[C@]3(CC[N@@H+]3C[C@H]3CCCO3)C2)n(C)n1 ZINC000248003124 257112266 /nfs/dbraw/zinc/11/22/66/257112266.db2.gz BCSJKJMPHOESIL-SJORKVTESA-N 1 0 304.438 1.558 10 0 DDAERO c1coc(CN2CCO[C@H]3C[N@@H+](C4CCOCC4)C[C@H]3C2)c1 ZINC000247948573 257114413 /nfs/dbraw/zinc/11/44/13/257114413.db2.gz XPKSEAABUIKEIZ-PBHICJAKSA-N 1 0 306.406 1.591 10 0 DDAERO COC[C@@H]1CNC(=O)[C@H]2CC[N@H+](Cc3ccccn3)CC[C@@H]12 ZINC000247839824 257116282 /nfs/dbraw/zinc/11/62/82/257116282.db2.gz KLALVELRFYTAPV-BPUTZDHNSA-N 1 0 303.406 1.302 10 0 DDAERO O=C(NCC1CCOCC1)[C@@H]1C[C@H]2CC[N@H+](CC3CC3)C[C@@H]2O1 ZINC000247483112 257119056 /nfs/dbraw/zinc/11/90/56/257119056.db2.gz JUJAOAOJNVWUPM-IKGGRYGDSA-N 1 0 322.449 1.419 10 0 DDAERO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c2cccnc12 ZINC000189319873 292182774 /nfs/dbraw/zinc/18/27/74/292182774.db2.gz IHIWROILJHQKSB-TZMCWYRMSA-N 1 0 319.430 1.962 10 0 DDAERO [NH3+][C@H]1CCN(c2cc(-c3nc(-c4cccnc4)no3)ccn2)C1 ZINC000070458228 406816586 /nfs/dbraw/zinc/81/65/86/406816586.db2.gz SRLCWFQTYIHBNT-ZDUSSCGKSA-N 1 0 308.345 1.731 10 0 DDAERO [NH3+][C@H]1CCN(c2ccc(-c3nc(-c4cccnc4)no3)cn2)C1 ZINC000070457848 406816853 /nfs/dbraw/zinc/81/68/53/406816853.db2.gz OMZBBEDYLKKTIT-ZDUSSCGKSA-N 1 0 308.345 1.731 10 0 DDAERO CNC(=O)C1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000078344675 407024877 /nfs/dbraw/zinc/02/48/77/407024877.db2.gz ZIRKMYAGDLPQQO-MRXNPFEDSA-N 1 0 306.406 1.022 10 0 DDAERO O=C(C[N@H+]1CCC[C@H]1CCCO)N1CCc2sccc2C1 ZINC000052762938 407156260 /nfs/dbraw/zinc/15/62/60/407156260.db2.gz KVMBFAXKHQALCS-AWEZNQCLSA-N 1 0 308.447 1.870 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC000123525713 407330758 /nfs/dbraw/zinc/33/07/58/407330758.db2.gz OEAZQPVRKJPGCF-QGZVFWFLSA-N 1 0 318.465 1.570 10 0 DDAERO Cc1cnc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)s1 ZINC000124004890 407345190 /nfs/dbraw/zinc/34/51/90/407345190.db2.gz VXZZRSPQZLSHLF-ONGXEEELSA-N 1 0 310.423 1.235 10 0 DDAERO Cc1[nH]c2c(cccc2C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c1C ZINC000124096534 407348442 /nfs/dbraw/zinc/34/84/42/407348442.db2.gz HLGLTDZZHBGKFN-JKSUJKDBSA-N 1 0 313.401 1.940 10 0 DDAERO CC[C@@H]1CN(C[C@H](O)c2ccc(F)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000105826688 407355824 /nfs/dbraw/zinc/35/58/24/407355824.db2.gz SEKKYOBBIJMVIX-XYPHTWIQSA-N 1 0 310.413 1.636 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CCOc3ccccc32)C1 ZINC000108931608 407393096 /nfs/dbraw/zinc/39/30/96/407393096.db2.gz WKOVHKZTGWMBGG-UONOGXRCSA-N 1 0 303.406 1.898 10 0 DDAERO CCC[C@@H](C(=O)NCC(=O)NCCc1ccccc1)[NH+](C)C ZINC000125882435 407400031 /nfs/dbraw/zinc/40/00/31/407400031.db2.gz NCTFOUCDUNXDAI-HNNXBMFYSA-N 1 0 305.422 1.192 10 0 DDAERO COc1ccc(Cl)c(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000112362184 407427327 /nfs/dbraw/zinc/42/73/27/407427327.db2.gz VQEHPUVQWXLQFE-JTQLQIEISA-N 1 0 318.826 1.673 10 0 DDAERO CC[C@H]1CN(C(=O)NC[C@@H]2CCCS2)CC[N@@H+]1CCOC ZINC000127133365 407428319 /nfs/dbraw/zinc/42/83/19/407428319.db2.gz 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ZINC000630368536 422055786 /nfs/dbraw/zinc/05/57/86/422055786.db2.gz HLMHFXXVMKOISM-JLJPHGGASA-N 1 0 306.406 1.556 10 0 DDAERO CN1CCO[C@@H](C[NH2+]Cc2ccncc2Br)C1 ZINC000631065916 422501176 /nfs/dbraw/zinc/50/11/76/422501176.db2.gz WRPVIZDXXUICLF-NSHDSACASA-N 1 0 300.200 1.264 10 0 DDAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1n[nH]cc1Br ZINC000643493386 423177071 /nfs/dbraw/zinc/17/70/71/423177071.db2.gz VQRHLSLLRRTXED-SFYZADRCSA-N 1 0 301.188 1.177 10 0 DDAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1ccc2c(c1)CCO2 ZINC000193025254 263479216 /nfs/dbraw/zinc/47/92/16/263479216.db2.gz LFHIZYUQQHXUKH-OAHLLOKOSA-N 1 0 319.405 1.590 10 0 DDAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C[C@H]2COCCO2)C1 ZINC000227658097 263546996 /nfs/dbraw/zinc/54/69/96/263546996.db2.gz XMVLAUQVHIYRCO-KBPBESRZSA-N 1 0 314.426 1.639 10 0 DDAERO CC[C@@H](C(=O)N1CCC[C@@H]1c1ccc(N(C)C)nn1)[NH+](C)C ZINC000643907047 423401738 /nfs/dbraw/zinc/40/17/38/423401738.db2.gz CTXVOGKXRUTFOM-UONOGXRCSA-N 1 0 305.426 1.546 10 0 DDAERO O[C@@H]1C[N@H+](CCCOc2ccc(Cl)cc2)C[C@H]1n1ccnn1 ZINC000639740334 423703284 /nfs/dbraw/zinc/70/32/84/423703284.db2.gz CDTRBCTXQQOXOU-HUUCEWRRSA-N 1 0 322.796 1.618 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000174089669 273754507 /nfs/dbraw/zinc/75/45/07/273754507.db2.gz FLCDFPGQOXLUCG-XJKSGUPXSA-N 1 0 314.376 1.387 10 0 DDAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)CC(=O)N(CC)CC)CC2 ZINC000180609003 273775996 /nfs/dbraw/zinc/77/59/96/273775996.db2.gz CDQLITATUJYZLX-OLZOCXBDSA-N 1 0 307.442 1.392 10 0 DDAERO CC1(C)CN(c2ccccc2S(=O)(=O)C(F)F)CC[NH2+]1 ZINC000212779481 276136036 /nfs/dbraw/zinc/13/60/36/276136036.db2.gz UVDQEKKDAIGLLE-UHFFFAOYSA-N 1 0 304.362 1.871 10 0 DDAERO CN(C)c1nc2c(c(N3CCc4ccccc4C3)n1)CC[NH2+]C2 ZINC000067676311 276896098 /nfs/dbraw/zinc/89/60/98/276896098.db2.gz OWXQHIVLIMWCAN-UHFFFAOYSA-N 1 0 309.417 1.751 10 0 DDAERO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ncc(C(F)(F)F)cc1Cl ZINC000091412392 277010096 /nfs/dbraw/zinc/01/00/96/277010096.db2.gz YLTGWPSQNXDISR-APPZFPTMSA-N 1 0 322.718 1.406 10 0 DDAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCC(=O)N1CCOCC1 ZINC000194216971 277371117 /nfs/dbraw/zinc/37/11/17/277371117.db2.gz ZJIBSKXTAUZNSE-ILXRZTDVSA-N 1 0 324.421 1.041 10 0 DDAERO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC000189002103 287960436 /nfs/dbraw/zinc/96/04/36/287960436.db2.gz GBHNNWGTQLZQTO-DJSGYFEHSA-N 1 0 319.380 1.165 10 0 DDAERO CO[C@@H]1CCN(CC(=O)Nc2c(C)cc(C)cc2C)[C@@H](C[NH3+])C1 ZINC000261895479 277655412 /nfs/dbraw/zinc/65/54/12/277655412.db2.gz OHCKRTFFJPZQLF-HZPDHXFCSA-N 1 0 319.449 1.988 10 0 DDAERO C[C@H]1CCN(CC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C[NH3+])C1 ZINC000262547787 278367329 /nfs/dbraw/zinc/36/73/29/278367329.db2.gz RYLUUNJZIDKMOF-WCQYABFASA-N 1 0 305.378 1.413 10 0 DDAERO CC[N@H+](CC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1)C1CC1 ZINC000152785013 279047950 /nfs/dbraw/zinc/04/79/50/279047950.db2.gz RPGLMRLDXJNZQX-OAHLLOKOSA-N 1 0 317.437 1.388 10 0 DDAERO CC[N@H+](CCNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)C1CC1 ZINC000121618301 279196956 /nfs/dbraw/zinc/19/69/56/279196956.db2.gz JDQLENQQKJXSRD-RHSMWYFYSA-N 1 0 309.454 1.807 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000177004729 279297292 /nfs/dbraw/zinc/29/72/92/279297292.db2.gz FAMFRVDQQBBQKQ-CYBMUJFWSA-N 1 0 316.467 1.144 10 0 DDAERO O=C(c1cc(Cl)ccc1Cl)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424056981 280162546 /nfs/dbraw/zinc/16/25/46/280162546.db2.gz LIRUXOONEIHKMT-NWDGAFQWSA-N 1 0 301.173 1.806 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)/C=C/c2cncc(C(=O)NC)c2)C1 ZINC000110720132 281059113 /nfs/dbraw/zinc/05/91/13/281059113.db2.gz JOJHFAAZBUYWMI-LQYUOIDQSA-N 1 0 316.405 1.055 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2cccc(OCCF)c2)C1 ZINC000128858375 281324306 /nfs/dbraw/zinc/32/43/06/281324306.db2.gz YUKPYCYASUBYPC-ZDUSSCGKSA-N 1 0 323.368 1.136 10 0 DDAERO CC(C)(C(=O)N1CCC(C(F)(F)F)CC1)N1CC[NH2+]CC1 ZINC000129780389 281357659 /nfs/dbraw/zinc/35/76/59/281357659.db2.gz HEVLQFNSSJMAFC-UHFFFAOYSA-N 1 0 307.360 1.471 10 0 DDAERO C[C@@](C[NH3+])(NS(=O)(=O)c1ccccc1-c1ccno1)C1CC1 ZINC000261989649 289109036 /nfs/dbraw/zinc/10/90/36/289109036.db2.gz DRBSLEBREWFAPQ-HNNXBMFYSA-N 1 0 321.402 1.747 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000170855083 298222924 /nfs/dbraw/zinc/22/29/24/298222924.db2.gz NRVOVIIXIGTRLH-KBPBESRZSA-N 1 0 309.454 1.434 10 0 DDAERO C[C@@H]([NH2+]CCC(=O)N(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400500229 302369927 /nfs/dbraw/zinc/36/99/27/302369927.db2.gz BVTVJSYPRVLTOC-OLZOCXBDSA-N 1 0 313.442 1.700 10 0 DDAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000392915317 307294760 /nfs/dbraw/zinc/29/47/60/307294760.db2.gz GUTCETSKGUOGCN-DGCLKSJQSA-N 1 0 311.426 1.643 10 0 DDAERO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]CCn1cncn1 ZINC000394382253 307295496 /nfs/dbraw/zinc/29/54/96/307295496.db2.gz RHIRZYRSYSBRIB-ZDUSSCGKSA-N 1 0 311.430 1.665 10 0 DDAERO COC[C@H](C)C[NH2+]Cc1c(C(C)C)nn(C)c1N1CCOCC1 ZINC000195520419 325714480 /nfs/dbraw/zinc/71/44/80/325714480.db2.gz HNVXNWKUXJJGKK-CQSZACIVSA-N 1 0 324.469 1.752 10 0 DDAERO C[C@@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000396398221 483994319 /nfs/dbraw/zinc/99/43/19/483994319.db2.gz WQQDLJITQDVCKO-CRAIPNDOSA-N 1 0 301.434 1.861 10 0 DDAERO [NH3+]C1(C(=O)N2CCN(c3nc4ccccc4o3)CC2)CCCC1 ZINC000178772084 484110213 /nfs/dbraw/zinc/11/02/13/484110213.db2.gz YDKMROITNZXUEN-UHFFFAOYSA-N 1 0 314.389 1.748 10 0 DDAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000261622432 484252859 /nfs/dbraw/zinc/25/28/59/484252859.db2.gz AXBJKCKJSWGSGY-ZWNOBZJWSA-N 1 0 306.797 1.979 10 0 DDAERO CCN(c1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1)C(C)C ZINC000262068382 484261001 /nfs/dbraw/zinc/26/10/01/484261001.db2.gz BKDRFGGSKNUBQB-HOCLYGCPSA-N 1 0 305.422 1.231 10 0 DDAERO CCN1CCO[C@@H](CNC2=[NH+]CCCN2)[C@@H]1c1ccccc1 ZINC000262194661 484265123 /nfs/dbraw/zinc/26/51/23/484265123.db2.gz ZEBXSWHRMULYCB-HOTGVXAUSA-N 1 0 302.422 1.387 10 0 DDAERO O=C(CCc1ccc(-c2ccccc2)o1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262221966 484265721 /nfs/dbraw/zinc/26/57/21/484265721.db2.gz JNNXOBADSPSMLX-GDBMZVCRSA-N 1 0 314.385 1.576 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000262237018 484266783 /nfs/dbraw/zinc/26/67/83/484266783.db2.gz KRBYSPGZMFJWPK-YGRLFVJLSA-N 1 0 320.780 1.040 10 0 DDAERO O=C(CCSc1ccccc1Cl)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262294624 484268290 /nfs/dbraw/zinc/26/82/90/484268290.db2.gz OYGWSHAUAUGQIV-PWSUYJOCSA-N 1 0 314.838 1.519 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc(F)c(Cl)cc1Cl ZINC000262298085 484268410 /nfs/dbraw/zinc/26/84/10/484268410.db2.gz PHTDMZIDRRWHPX-UPONEAKYSA-N 1 0 307.152 1.443 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(Cl)c2cccnc12 ZINC000262368146 484269855 /nfs/dbraw/zinc/26/98/55/484269855.db2.gz VUULJFXYWVDERI-NOZJJQNGSA-N 1 0 305.765 1.198 10 0 DDAERO CCCOc1ccc(Cl)cc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262380799 484269885 /nfs/dbraw/zinc/26/98/85/484269885.db2.gz WZBGYCALUUCBLZ-ZWNOBZJWSA-N 1 0 312.797 1.439 10 0 DDAERO OCC[NH+]1CCC(NCc2ncc(Br)s2)CC1 ZINC000679846633 486011653 /nfs/dbraw/zinc/01/16/53/486011653.db2.gz DPVDTMNHOXVNRY-UHFFFAOYSA-N 1 0 320.256 1.452 10 0 DDAERO Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@@H]2CCSC2)no1 ZINC000328627850 534369873 /nfs/dbraw/zinc/36/98/73/534369873.db2.gz GQMFAAOUPKQPKG-TUAOUCFPSA-N 1 0 300.403 1.386 10 0 DDAERO CCCC[C@@H](C[NH3+])Nc1cnn(C)c(=O)c1Br ZINC000159837681 521049047 /nfs/dbraw/zinc/04/90/47/521049047.db2.gz RCWAIJGBLHODOL-QMMMGPOBSA-N 1 0 303.204 1.472 10 0 DDAERO CC[S@](=O)CC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000134864382 696842506 /nfs/dbraw/zinc/84/25/06/696842506.db2.gz IRLLQDHGIXQNCZ-YEJXKQKISA-N 1 0 318.483 1.992 10 0 DDAERO COCC[N@@H+]1CCN(C[C@H](O)c2ccc(F)c(F)c2)C[C@@H]1C ZINC000105833841 696625156 /nfs/dbraw/zinc/62/51/56/696625156.db2.gz DQDWDBQWGRQKPC-LRDDRELGSA-N 1 0 314.376 1.651 10 0 DDAERO Cc1nn(CN2CC[C@@H]([NH+](C)C)C2)c(C)c1Br ZINC000109316350 696637366 /nfs/dbraw/zinc/63/73/66/696637366.db2.gz GUSHXYNWHYKCMA-LLVKDONJSA-N 1 0 301.232 1.856 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)CC2(C)OCCO2)C1 ZINC000119731173 696684540 /nfs/dbraw/zinc/68/45/40/696684540.db2.gz PSXTVIOLECCHDW-KBPBESRZSA-N 1 0 313.442 1.559 10 0 DDAERO C[C@@H](NC(=O)C[C@H]([NH3+])C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000123945951 696736578 /nfs/dbraw/zinc/73/65/78/696736578.db2.gz XMMODNVBFWETBF-YGRLFVJLSA-N 1 0 310.419 1.395 10 0 DDAERO Cc1ccc2c(CC(=O)NC[C@@H]3CN(C)CCO3)c[nH]c2c1 ZINC000171135510 697354569 /nfs/dbraw/zinc/35/45/69/697354569.db2.gz ZHODQKWPOFZZSP-CQSZACIVSA-N 1 0 301.390 1.466 10 0 DDAERO S=c1nc(-c2ccccn2)[nH]n1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172503262 697368331 /nfs/dbraw/zinc/36/83/31/697368331.db2.gz IIMKMDIDMJYHEI-GFCCVEGCSA-N 1 0 316.434 1.740 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1[nH]nc2c1CCCC2 ZINC000188403213 697558426 /nfs/dbraw/zinc/55/84/26/697558426.db2.gz IXNYMIDXXAUMDJ-UONOGXRCSA-N 1 0 316.449 1.916 10 0 DDAERO CCOC1CC(CC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](CC)C2)C1 ZINC000188661172 697562279 /nfs/dbraw/zinc/56/22/79/697562279.db2.gz ZSWCFJIZISYTSX-CIDNJEQPSA-N 1 0 312.454 1.495 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](O)c2ccc(F)cc2)C1 ZINC000194176121 697696433 /nfs/dbraw/zinc/69/64/33/697696433.db2.gz KUSCLPNGIMHFDZ-GJZGRUSLSA-N 1 0 309.385 1.643 10 0 DDAERO O=C(NCC1(C[NH+]2CCCC2)CC1)[C@@H]1CO[C@H]2C=CC=C[C@@H]2O1 ZINC000223544908 697762062 /nfs/dbraw/zinc/76/20/62/697762062.db2.gz OGUMDVDOXCGXBP-JYJNAYRXSA-N 1 0 318.417 1.257 10 0 DDAERO CC(C)CNC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000236805838 697800351 /nfs/dbraw/zinc/80/03/51/697800351.db2.gz NMOWQIDQGOCEOX-ZIAGYGMSSA-N 1 0 310.442 1.014 10 0 DDAERO O=c1c(Cl)c(Cl)cnn1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246972638 698358524 /nfs/dbraw/zinc/35/85/24/698358524.db2.gz GTNDCTGTUSNXJO-VIFPVBQESA-N 1 0 303.193 1.288 10 0 DDAERO CC[C@H]1CN(C[C@H]2CC3(CCC3)C(=O)O2)CC[N@@H+]1CCOC ZINC000248828778 698381601 /nfs/dbraw/zinc/38/16/01/698381601.db2.gz HQTGNYJVOFDYIE-LSDHHAIUSA-N 1 0 310.438 1.515 10 0 DDAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(Br)cc1 ZINC000261568877 698427466 /nfs/dbraw/zinc/42/74/66/698427466.db2.gz FWTZHBHJWQKPJA-QMMMGPOBSA-N 1 0 307.213 1.335 10 0 DDAERO CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000261612408 698428869 /nfs/dbraw/zinc/42/88/69/698428869.db2.gz CDPKFVHEJMZHJK-TZMCWYRMSA-N 1 0 303.406 1.866 10 0 DDAERO O=C(NC[C@H]1CCCN(c2ncccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261641379 698430238 /nfs/dbraw/zinc/43/02/38/698430238.db2.gz ACVHQUKEXOQJFJ-TZMCWYRMSA-N 1 0 322.840 1.820 10 0 DDAERO CCc1noc2ncc(S(=O)(=O)N[C@@H]3CCC[NH2+][C@H]3C)cc12 ZINC000261682270 698432632 /nfs/dbraw/zinc/43/26/32/698432632.db2.gz LVOFBSPLYKTVCI-TVQRCGJNSA-N 1 0 324.406 1.204 10 0 DDAERO FC(F)(F)c1cccc(N2CCN([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000261738298 698435355 /nfs/dbraw/zinc/43/53/55/698435355.db2.gz RWEFGCKYZISTJA-LLVKDONJSA-N 1 0 300.328 1.584 10 0 DDAERO CNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)c1 ZINC000261944370 698446650 /nfs/dbraw/zinc/44/66/50/698446650.db2.gz NKMGOWYMKDCKLS-BBWFWOEESA-N 1 0 317.433 1.293 10 0 DDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000701413460 699226809 /nfs/dbraw/zinc/22/68/09/699226809.db2.gz UPODKYZBWGUMDJ-LDYMZIIASA-N 1 0 316.810 1.305 10 0 DDAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)[C@H](C)O1 ZINC000702821162 699233053 /nfs/dbraw/zinc/23/30/53/699233053.db2.gz WZSIVKANIXBHMV-XHJNMGKDSA-N 1 0 314.426 1.370 10 0 DDAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+][C@@H]2CCCOCC2)C1 ZINC000702843398 699233851 /nfs/dbraw/zinc/23/38/51/699233851.db2.gz RPNDTGLEZGUHEZ-MCIONIFRSA-N 1 0 314.426 1.373 10 0 DDAERO CCn1cc(C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nn1 ZINC000714947357 699273245 /nfs/dbraw/zinc/27/32/45/699273245.db2.gz GYCYQXKSFMQNTE-LBPRGKRZSA-N 1 0 309.414 1.645 10 0 DDAERO C[C@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000716714516 699283937 /nfs/dbraw/zinc/28/39/37/699283937.db2.gz BAHDRINDPDAKKV-WTIISPKJSA-N 1 0 311.426 1.485 10 0 DDAERO Cn1ncc(N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c(Cl)c1=O ZINC000717093342 699286081 /nfs/dbraw/zinc/28/60/81/699286081.db2.gz PBUNUEXYKYETPZ-NKWVEPMBSA-N 1 0 310.707 1.150 10 0 DDAERO Cc1sc(C)c(S(=O)(=O)N2C[C@H](C)[C@H](C[NH3+])C2)c1C ZINC000722600475 699319593 /nfs/dbraw/zinc/31/95/93/699319593.db2.gz LOSQKLFPYJEEPZ-QPUJVOFHSA-N 1 0 302.465 1.889 10 0 DDAERO CN(c1cncc(Br)c1)C1(C[NH3+])CCOCC1 ZINC000725002662 699329324 /nfs/dbraw/zinc/32/93/24/699329324.db2.gz YDVGGPRPLCDQIM-UHFFFAOYSA-N 1 0 300.200 1.788 10 0 DDAERO CNC(=O)c1nc(C2CC[NH+]([C@H](C)c3ccncc3)CC2)n[nH]1 ZINC000818241244 702613782 /nfs/dbraw/zinc/61/37/82/702613782.db2.gz FHSJLPCMPMECLW-LLVKDONJSA-N 1 0 314.393 1.500 10 0 DDAERO Cc1cc(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc(Cl)n1 ZINC000898074945 708534325 /nfs/dbraw/zinc/53/43/25/708534325.db2.gz AZZCFRONKOBRDZ-CHWSQXEVSA-N 1 0 309.797 1.523 10 0 DDAERO CCn1nccc1CC[N@@H+]1CCC[C@@](O)(Cc2nc(C)no2)C1 ZINC000886079944 708694240 /nfs/dbraw/zinc/69/42/40/708694240.db2.gz FDPMALIVYLHWOQ-MRXNPFEDSA-N 1 0 319.409 1.207 10 0 DDAERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)Cc2nnnn2C2CC2)C1 ZINC000886082632 708694937 /nfs/dbraw/zinc/69/49/37/708694937.db2.gz ZURKONXFGFGRPO-ZNMIVQPWSA-N 1 0 320.441 1.082 10 0 DDAERO Cn1nccc1CCC(=O)Nc1ccc([C@@H]2CCC[NH2+]2)nn1 ZINC000886085225 708695414 /nfs/dbraw/zinc/69/54/14/708695414.db2.gz HPVATUNDFOVCGN-LBPRGKRZSA-N 1 0 300.366 1.206 10 0 DDAERO COCc1ccc(CN2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)o1 ZINC000888078033 709210277 /nfs/dbraw/zinc/21/02/77/709210277.db2.gz CZUUYKYCDZDGQV-CABCVRRESA-N 1 0 305.382 1.005 10 0 DDAERO CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@H]([NH+]3CCC3)C2)C1 ZINC000912916915 713123468 /nfs/dbraw/zinc/12/34/68/713123468.db2.gz SXJLZJSLYBNWSP-KGLIPLIRSA-N 1 0 323.437 1.550 10 0 DDAERO O=C(N[C@@H]1CCOc2ccccc21)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895484013 711524038 /nfs/dbraw/zinc/52/40/38/711524038.db2.gz WEKWHAQIWKXSPJ-UKRRQHHQSA-N 1 0 302.374 1.347 10 0 DDAERO CCC[N@@H+]1CCC[C@H](C(=O)N2CCO[C@H](c3noc(C)n3)C2)C1 ZINC000907257271 712524825 /nfs/dbraw/zinc/52/48/25/712524825.db2.gz ODGQVRLJBNKDJJ-KBPBESRZSA-N 1 0 322.409 1.400 10 0 DDAERO C[NH2+][C@H](CSCCS(C)(=O)=O)c1cccc(OC)c1 ZINC000081769090 192323086 /nfs/dbraw/zinc/32/30/86/192323086.db2.gz ZREOPLBRLALCPO-CYBMUJFWSA-N 1 0 303.449 1.734 10 0 DDAERO CC[C@@H](C)NC(=O)CN1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248662992 282097324 /nfs/dbraw/zinc/09/73/24/282097324.db2.gz YZWUJWMRSCEBSB-WBVHZDCISA-N 1 0 318.465 1.750 10 0 DDAERO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN([C@H](C)C(=O)N(C)C)C1 ZINC000248661166 282097480 /nfs/dbraw/zinc/09/74/80/282097480.db2.gz WRSCMWIWQHERFX-ZIAGYGMSSA-N 1 0 324.494 1.682 10 0 DDAERO CCCn1c(=O)[nH]nc1S[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C ZINC000081879105 192333157 /nfs/dbraw/zinc/33/31/57/192333157.db2.gz LXZVIHGXRQNKLN-OLZOCXBDSA-N 1 0 304.419 1.959 10 0 DDAERO C[NH2+][C@H](CSc1n[nH]c(C)n1)c1ccc2c(c1)OCCO2 ZINC000081890793 192334386 /nfs/dbraw/zinc/33/43/86/192334386.db2.gz DJYAHDLUZYZATB-LLVKDONJSA-N 1 0 306.391 1.937 10 0 DDAERO Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NC[C@H]([NH3+])[C@@H](C)O ZINC000096767848 185387028 /nfs/dbraw/zinc/38/70/28/185387028.db2.gz BARHKVDAXAQTFM-YPMHNXCESA-N 1 0 314.451 1.279 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](OCCOC)C2)C1 ZINC000249275202 282140563 /nfs/dbraw/zinc/14/05/63/282140563.db2.gz KTNXVZDPXUIOMR-LSDHHAIUSA-N 1 0 313.442 1.308 10 0 DDAERO [NH3+][C@]1(C(=O)NCc2ccc(Br)s2)CCOC1 ZINC000082963812 185209769 /nfs/dbraw/zinc/20/97/69/185209769.db2.gz QGDZENYKMCOSSW-SNVBAGLBSA-N 1 0 305.197 1.245 10 0 DDAERO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]([C@H]3CCN(C4CC4)C3=O)C2)n1 ZINC000328648873 231284737 /nfs/dbraw/zinc/28/47/37/231284737.db2.gz IOQOWIMOUFTJGB-ZBFHGGJFSA-N 1 0 317.437 1.370 10 0 DDAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@](C)(O)c1ccco1 ZINC000173675924 282182046 /nfs/dbraw/zinc/18/20/46/282182046.db2.gz MMCAUZWBKDZAOD-YJBOKZPZSA-N 1 0 316.401 1.776 10 0 DDAERO Cn1cc(CC[NH+]2CCC(c3ccnn3CCO)CC2)cn1 ZINC000328675814 231303404 /nfs/dbraw/zinc/30/34/04/231303404.db2.gz RCZXRTWWJVSKJA-UHFFFAOYSA-N 1 0 303.410 1.031 10 0 DDAERO CC(C)[C@@H](C[NH3+])NS(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000087404634 185224195 /nfs/dbraw/zinc/22/41/95/185224195.db2.gz VUHVKBLPPVQKQP-GFCCVEGCSA-N 1 0 310.375 1.055 10 0 DDAERO C[C@H](C[NH3+])c1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)c[nH]1 ZINC000087536482 185227908 /nfs/dbraw/zinc/22/79/08/185227908.db2.gz YNCALXYCMRALHU-SNVBAGLBSA-N 1 0 308.407 1.389 10 0 DDAERO [NH3+][C@H]1COC[C@H]1C(=O)NCc1sccc1Br ZINC000087575752 185228793 /nfs/dbraw/zinc/22/87/93/185228793.db2.gz IACMIOCRNOCEKD-SVRRBLITSA-N 1 0 305.197 1.101 10 0 DDAERO C[C@H]([NH3+])CCC[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000087682583 185230608 /nfs/dbraw/zinc/23/06/08/185230608.db2.gz LTVKLWIINYKRNI-QWRGUYRKSA-N 1 0 313.423 1.426 10 0 DDAERO NNc1nc(NC2CCC(O)CC2)c(Br)c[nH+]1 ZINC000087904488 185237292 /nfs/dbraw/zinc/23/72/92/185237292.db2.gz KOMBMEBPLWWHBS-UHFFFAOYSA-N 1 0 302.176 1.240 10 0 DDAERO [NH3+]C[C@@]1(Nc2cccc(Br)c2)CCS(=O)(=O)C1 ZINC000087915262 185237357 /nfs/dbraw/zinc/23/73/57/185237357.db2.gz FWUFDEARVAIJSG-NSHDSACASA-N 1 0 319.224 1.377 10 0 DDAERO COc1cc(CN2CC[NH2+][C@H](C)C2)cc(Br)c1O ZINC000088058632 185238266 /nfs/dbraw/zinc/23/82/66/185238266.db2.gz UFSVIFLSKJMWOY-SECBINFHSA-N 1 0 315.211 1.957 10 0 DDAERO C[C@@H]([NH3+])C[S@](=O)CCOc1cccc(Br)c1 ZINC000088069455 185238598 /nfs/dbraw/zinc/23/85/98/185238598.db2.gz AVQPAVDHQCGIFU-ABKXIKBNSA-N 1 0 306.225 1.924 10 0 DDAERO C[NH+]1CCC(CNC(=O)c2ccc3nc(N)sc3c2)CC1 ZINC000087847536 185233418 /nfs/dbraw/zinc/23/34/18/185233418.db2.gz CFBWWPZQRUQHRM-UHFFFAOYSA-N 1 0 304.419 1.950 10 0 DDAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc2nc(N)sc2c1 ZINC000087847696 185233458 /nfs/dbraw/zinc/23/34/58/185233458.db2.gz IVWVSHJOXQXQRP-SNVBAGLBSA-N 1 0 304.419 1.902 10 0 DDAERO C[NH2+][C@@H](Cc1ccc(Br)cc1)[C@H]1COCCO1 ZINC000087857644 185233659 /nfs/dbraw/zinc/23/36/59/185233659.db2.gz YYYLOSAMSCUCPB-QWHCGFSZSA-N 1 0 300.196 1.995 10 0 DDAERO CN(Cc1ccncc1)c1nc(NN)[nH+]cc1Br ZINC000087854124 185233688 /nfs/dbraw/zinc/23/36/88/185233688.db2.gz BFDFJPAIQCNVEL-UHFFFAOYSA-N 1 0 309.171 1.556 10 0 DDAERO CCc1c(NN)[nH+]cnc1-n1nc(C)c(Br)c1C ZINC000087867507 185233761 /nfs/dbraw/zinc/23/37/61/185233761.db2.gz KFPMLZJSWPPTLN-UHFFFAOYSA-N 1 0 311.187 1.890 10 0 DDAERO CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1S(=O)(=O)CCC(=O)OC ZINC000081975350 192347948 /nfs/dbraw/zinc/34/79/48/192347948.db2.gz QFKONQCWWIJQOY-RDBSUJKOSA-N 1 0 319.467 1.767 10 0 DDAERO O=C(Nc1c(Cl)cccc1Cl)C(=O)N1CCC[NH2+]CC1 ZINC000088172176 185240818 /nfs/dbraw/zinc/24/08/18/185240818.db2.gz MNPHFTIHMAVGLA-UHFFFAOYSA-N 1 0 316.188 1.754 10 0 DDAERO CC[NH2+]Cc1nnnn1-c1cc(OC)ccc1Br ZINC000088322384 185245677 /nfs/dbraw/zinc/24/56/77/185245677.db2.gz OLNCOJXSANJOND-UHFFFAOYSA-N 1 0 312.171 1.543 10 0 DDAERO CCOC(=O)CS(=O)(=O)[C@H](C)[C@@H]([NH3+])c1ccc(CC)cc1 ZINC000081977251 192348389 /nfs/dbraw/zinc/34/83/89/192348389.db2.gz BMOAFCJXPZFJBP-IAQYHMDHSA-N 1 0 313.419 1.615 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1)C(C)C ZINC000183653145 539242750 /nfs/dbraw/zinc/24/27/50/539242750.db2.gz KCYWPQFUPARMIH-IAGOWNOFSA-N 1 0 317.433 1.614 10 0 DDAERO CCC[C@@H](COC)[NH2+]Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000088540854 185255648 /nfs/dbraw/zinc/25/56/48/185255648.db2.gz XTOAPZBNWQKDMO-NSHDSACASA-N 1 0 304.412 1.435 10 0 DDAERO CC(C)C[NH2+]CCc1nnc(C(C)(C)S(C)(=O)=O)s1 ZINC000088824124 185266486 /nfs/dbraw/zinc/26/64/86/185266486.db2.gz GURYZSLJEZABFX-UHFFFAOYSA-N 1 0 305.469 1.606 10 0 DDAERO CC[C@@H](C(N)=S)[NH+]1CCN(C(=O)CCC(F)(F)F)CC1 ZINC000088833802 185266605 /nfs/dbraw/zinc/26/66/05/185266605.db2.gz OFOKSXSNXULCJA-VIFPVBQESA-N 1 0 311.373 1.538 10 0 DDAERO O=S(=O)(C[C@@H]1CCC[NH2+]C1)Nc1c(F)cc(F)cc1F ZINC000088722835 185263306 /nfs/dbraw/zinc/26/33/06/185263306.db2.gz MTLVOJBHUAJOCH-MRVPVSSYSA-N 1 0 308.325 1.845 10 0 DDAERO CC(C)CN(CC[NH+](C)C)S(=O)(=O)c1csc(CO)c1 ZINC000088892468 185269922 /nfs/dbraw/zinc/26/99/22/185269922.db2.gz POXGGEMWHZVIJE-UHFFFAOYSA-N 1 0 320.480 1.449 10 0 DDAERO [NH3+][C@@H](CS(=O)(=O)C1CCOCC1)c1ccc2c(c1)OCO2 ZINC000081989572 192351365 /nfs/dbraw/zinc/35/13/65/192351365.db2.gz UGVZWKHZPORZDY-LBPRGKRZSA-N 1 0 313.375 1.009 10 0 DDAERO C[NH2+][C@@H]1CCC2(C[C@@H]1S(=O)(=O)CC1CCCC1)OCCO2 ZINC000081991064 192351672 /nfs/dbraw/zinc/35/16/72/192351672.db2.gz HCVOCLVNTHUJRW-KGLIPLIRSA-N 1 0 317.451 1.475 10 0 DDAERO CCC[NH2+][C@@H](C[S@](=O)CCS(C)(=O)=O)c1ccccc1 ZINC000081992125 192352193 /nfs/dbraw/zinc/35/21/93/192352193.db2.gz DMLJBGOGVIITGF-LIRRHRJNSA-N 1 0 317.476 1.521 10 0 DDAERO CN(c1ccc(F)cc1S(=O)(=O)C(F)(F)F)C1C[NH2+]C1 ZINC000090290630 185289589 /nfs/dbraw/zinc/28/95/89/185289589.db2.gz JJAAYTJHVXBHIS-UHFFFAOYSA-N 1 0 312.288 1.527 10 0 DDAERO C[C@](O)(CO)C[NH2+]CCOc1cccc(Br)c1 ZINC000090288505 185289656 /nfs/dbraw/zinc/28/96/56/185289656.db2.gz JVPMFCNPRDRHNK-GFCCVEGCSA-N 1 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193360817 /nfs/dbraw/zinc/36/08/17/193360817.db2.gz UNUWZUDLEUVBBU-QMMMGPOBSA-N 1 0 302.300 1.388 10 0 DDAERO COc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c(OC)c1 ZINC000094341081 193361456 /nfs/dbraw/zinc/36/14/56/193361456.db2.gz MWDHCFLPVKGQEQ-JQWIXIFHSA-N 1 0 314.407 1.062 10 0 DDAERO Cc1c(NCCC[NH+]2CCCC2)cc(N)cc1S(N)(=O)=O ZINC000094360329 193365784 /nfs/dbraw/zinc/36/57/84/193365784.db2.gz SGFRLLDKCBTBNH-UHFFFAOYSA-N 1 0 312.439 1.122 10 0 DDAERO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Br)cc2N)C1 ZINC000094043285 193340751 /nfs/dbraw/zinc/34/07/51/193340751.db2.gz BDUQYRTZWUZHIO-VIFPVBQESA-N 1 0 312.211 1.713 10 0 DDAERO CS(=O)(=O)[C@H]1CCC[C@H](N2CC[NH2+]CC23CCCCC3)C1 ZINC000094638785 193388052 /nfs/dbraw/zinc/38/80/52/193388052.db2.gz BVASOAGSUYMDMZ-GJZGRUSLSA-N 1 0 314.495 1.950 10 0 DDAERO CC(C)([C@H](O)[C@@H]1CCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC000094641326 193388642 /nfs/dbraw/zinc/38/86/42/193388642.db2.gz CHUHCWKDCPYPLX-HZSPNIEDSA-N 1 0 303.468 1.825 10 0 DDAERO CC[NH2+]C1CCC(O)([C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094645064 193389634 /nfs/dbraw/zinc/38/96/34/193389634.db2.gz BETCHRRCYJPKFQ-LQULJDIASA-N 1 0 303.468 1.873 10 0 DDAERO O=S1(=O)CCC([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000094367967 193366745 /nfs/dbraw/zinc/36/67/45/193366745.db2.gz PQTLXDIQIXBURW-CHWSQXEVSA-N 1 0 305.465 1.208 10 0 DDAERO CCC[NH2+][C@H]1[C@H](CN2CCS(=O)CC2)C(C)(C)OC1(C)C ZINC000094428389 193368648 /nfs/dbraw/zinc/36/86/48/193368648.db2.gz OCPRTTVMGORKPI-KBPBESRZSA-N 1 0 316.511 1.623 10 0 DDAERO NNc1[nH+]cc(C(=O)N2CCN3CCCC[C@H]3C2)cc1Cl ZINC000094444648 193369444 /nfs/dbraw/zinc/36/94/44/193369444.db2.gz OZTWFZQDZLOQOO-NSHDSACASA-N 1 0 309.801 1.331 10 0 DDAERO CC[NH2+]CCCCS(=O)(=O)N1C[C@H]2CCCCN2C[C@@H]1C ZINC000094445775 193370897 /nfs/dbraw/zinc/37/08/97/193370897.db2.gz OLFQXAANQDYCGC-LSDHHAIUSA-N 1 0 317.499 1.265 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccnc(Cl)c1 ZINC000094459469 193371167 /nfs/dbraw/zinc/37/11/67/193371167.db2.gz JNRNPAZTPVKJLY-GHMZBOCLSA-N 1 0 315.826 1.592 10 0 DDAERO C(OC1CC[NH2+]CC1)c1nc([C@@H]2CSCCS2)no1 ZINC000094496003 193373677 /nfs/dbraw/zinc/37/36/77/193373677.db2.gz ULOXNWFYDFJIKT-JTQLQIEISA-N 1 0 301.437 1.859 10 0 DDAERO COCCCN(CCOC)[C@@]1(C[NH3+])CSCC(C)(C)C1 ZINC000094489383 193374078 /nfs/dbraw/zinc/37/40/78/193374078.db2.gz IVLKYSLKAQSBEZ-HNNXBMFYSA-N 1 0 304.500 1.832 10 0 DDAERO COC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1CC[C@H](C[NH3+])O1 ZINC000094570404 193380519 /nfs/dbraw/zinc/38/05/19/193380519.db2.gz IVBUKBSKAFQPPH-NXEZZACHSA-N 1 0 312.391 1.596 10 0 DDAERO C[C@]1(C(=O)Nc2cc(Br)ccc2O)COC[C@@H]1[NH3+] ZINC000094573747 193381753 /nfs/dbraw/zinc/38/17/53/193381753.db2.gz HDGGDXTYABLGQW-JQWIXIFHSA-N 1 0 315.167 1.457 10 0 DDAERO C[N@@H+]1CC[C@H](CNc2nc3ccc(Br)cn3n2)C1 ZINC000094603177 193383764 /nfs/dbraw/zinc/38/37/64/193383764.db2.gz NCFINEHAPKMTGR-SECBINFHSA-N 1 0 310.199 1.855 10 0 DDAERO C[C@@H]1CCN(c2nc3c(Br)cccn3n2)C[C@@H]1[NH3+] ZINC000094608350 193384547 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Cc1ccc(C)c(N2C[C@@H](C(=O)NCCC[NH+](C)C)CC2=O)c1 ZINC000015453219 182002964 /nfs/dbraw/zinc/00/29/64/182002964.db2.gz HSRQCLSFRHXYOO-HNNXBMFYSA-N 1 0 317.433 1.724 10 0 DDAERO [NH3+]C1CCN(CC(=O)Nc2cccc(Br)c2)CC1 ZINC000019688456 182136401 /nfs/dbraw/zinc/13/64/01/182136401.db2.gz JNKKDQLSXJFNPX-UHFFFAOYSA-N 1 0 312.211 1.811 10 0 DDAERO O=S(=O)(c1ccc([C@@H]2CSCC[NH2+]2)cc1)N1CCCC1 ZINC000019772789 182145596 /nfs/dbraw/zinc/14/55/96/182145596.db2.gz QUBFWKADXUIVRY-AWEZNQCLSA-N 1 0 312.460 1.849 10 0 DDAERO CN(CCO)c1ccc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000019885083 182160762 /nfs/dbraw/zinc/16/07/62/182160762.db2.gz PZCOOOCWSCMKGZ-QGZVFWFLSA-N 1 0 317.433 1.425 10 0 DDAERO C[C@@H]([NH2+]CCc1ccc(Cl)cc1Cl)C(=O)NC(N)=O ZINC000020308934 182204992 /nfs/dbraw/zinc/20/49/92/182204992.db2.gz MGMVAIBLIYKKSJ-SSDOTTSWSA-N 1 0 304.177 1.709 10 0 DDAERO CS(=O)(=O)c1cccc(C(=O)NCC[C@H]2CCCC[NH2+]2)c1 ZINC000020567389 182233288 /nfs/dbraw/zinc/23/32/88/182233288.db2.gz OTPMBBKWIFSTFJ-CYBMUJFWSA-N 1 0 310.419 1.352 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nn(C)cc1Br ZINC000393613543 307295190 /nfs/dbraw/zinc/29/51/90/307295190.db2.gz KEBZEHVYBJLFRS-WDEREUQCSA-N 1 0 313.243 1.851 10 0 DDAERO CC[NH+](CC)CCNCc1cc(Cl)ccc1OCC(N)=O ZINC000020873390 182250660 /nfs/dbraw/zinc/25/06/60/182250660.db2.gz RCVXACSDFLYWDV-UHFFFAOYSA-N 1 0 313.829 1.636 10 0 DDAERO C[NH+](C)CCCNCc1c(OCC(N)=O)ccc2ccccc21 ZINC000020872813 182250754 /nfs/dbraw/zinc/25/07/54/182250754.db2.gz DHANNHJUNMOVBW-UHFFFAOYSA-N 1 0 315.417 1.745 10 0 DDAERO COCC[NH2+]CCN(C)c1ncc(C)cc1Br ZINC000097847226 193764318 /nfs/dbraw/zinc/76/43/18/193764318.db2.gz ZPQJKZAQWOVOBE-UHFFFAOYSA-N 1 0 302.216 1.825 10 0 DDAERO Cc1sc2ncnc(NCC(=O)NCC[NH+](C)C)c2c1C ZINC000031868571 182627513 /nfs/dbraw/zinc/62/75/13/182627513.db2.gz PRVVTYHTLJTBAX-UHFFFAOYSA-N 1 0 307.423 1.398 10 0 DDAERO Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C[NH2+][C@H](C)C(C)C ZINC000035161956 182758160 /nfs/dbraw/zinc/75/81/60/182758160.db2.gz PHLRIPYYGPQMFK-RISCZKNCSA-N 1 0 313.467 1.994 10 0 DDAERO CCNS(=O)(=O)c1ccccc1NC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000037028402 182862864 /nfs/dbraw/zinc/86/28/64/182862864.db2.gz KNOJLBYIGGZQRV-GWCFXTLKSA-N 1 0 313.423 1.297 10 0 DDAERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2cccc(N(C)C)n2)[C@@H](C)C1 ZINC000152652094 248298020 /nfs/dbraw/zinc/29/80/20/248298020.db2.gz IWCZPWVWGJLOOT-STQMWFEESA-N 1 0 305.426 1.998 10 0 DDAERO C[C@@H](O)CN1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000173290976 248332718 /nfs/dbraw/zinc/33/27/18/248332718.db2.gz CMZLXKOSBCWFFR-LSDHHAIUSA-N 1 0 319.449 1.275 10 0 DDAERO Cc1cc(F)cc(C)c1S(=O)(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000333610109 249041453 /nfs/dbraw/zinc/04/14/53/249041453.db2.gz WOYKKBTYZUSTTL-ZDUSSCGKSA-N 1 0 316.398 1.099 10 0 DDAERO O=C([C@H]1CCCN1Cc1cccc(Cl)c1)N1CC[NH2+]CC1 ZINC000040508133 183085391 /nfs/dbraw/zinc/08/53/91/183085391.db2.gz NGNDZPFZCOWPTI-OAHLLOKOSA-N 1 0 307.825 1.736 10 0 DDAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ncc(Br)s2)C1 ZINC000040633756 183111726 /nfs/dbraw/zinc/11/17/26/183111726.db2.gz YPDOSLOAKUEVKO-RITPCOANSA-N 1 0 306.185 1.221 10 0 DDAERO CO[C@H]1C[NH2+][C@H](C(=O)N(Cc2ccco2)CC(F)(F)F)C1 ZINC000040634741 183112465 /nfs/dbraw/zinc/11/24/65/183112465.db2.gz RKKUALLXQRUIMX-MNOVXSKESA-N 1 0 306.284 1.547 10 0 DDAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccc(Br)cc2F)C1 ZINC000040630120 183110673 /nfs/dbraw/zinc/11/06/73/183110673.db2.gz ZEUABZPTGAVWPM-KCJUWKMLSA-N 1 0 317.158 1.904 10 0 DDAERO CC[C@@H](C)Cn1c2nnn(CC[NH+](CC)CC)c2c(=O)[nH]c1=O ZINC000040791442 183134664 /nfs/dbraw/zinc/13/46/64/183134664.db2.gz UGUYJDCWNSTCTG-LLVKDONJSA-N 1 0 322.413 1.082 10 0 DDAERO CCCN(CC(=O)NCC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748514 183128582 /nfs/dbraw/zinc/12/85/82/183128582.db2.gz JLKQVXAJFIDUNB-FOSCPWQOSA-N 1 0 307.360 1.660 10 0 DDAERO CC(C)[C@@H](CNC(=O)c1sccc1N)N1CC[NH+](C)CC1 ZINC000040769959 183131249 /nfs/dbraw/zinc/13/12/49/183131249.db2.gz FGLRUALNNNJVBI-CYBMUJFWSA-N 1 0 310.467 1.332 10 0 DDAERO Cc1[nH]c(=O)sc1S(=O)(=O)NCCCC[N@@H+](C)C(C)C ZINC000041684693 183216804 /nfs/dbraw/zinc/21/68/04/183216804.db2.gz PRKIOEMPXWHIEP-UHFFFAOYSA-N 1 0 321.468 1.144 10 0 DDAERO NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000042167585 183238220 /nfs/dbraw/zinc/23/82/20/183238220.db2.gz XWNYRJUPEQTDCL-MRVPVSSYSA-N 1 0 317.798 1.068 10 0 DDAERO CN(Cc1csc(Br)c1)S(=O)(=O)CC[NH3+] ZINC000042363557 183258807 /nfs/dbraw/zinc/25/88/07/183258807.db2.gz OVJQWBATQPPDIQ-UHFFFAOYSA-N 1 0 313.242 1.231 10 0 DDAERO CNc1ccc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)cc1 ZINC000042388848 183262756 /nfs/dbraw/zinc/26/27/56/183262756.db2.gz DGQXDEYTTCZYDN-UHFFFAOYSA-N 1 0 311.451 1.691 10 0 DDAERO C[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CCS(=O)(=O)CC1 ZINC000042945291 183319670 /nfs/dbraw/zinc/31/96/70/183319670.db2.gz LKQQNAKNTOQYOL-MFKMUULPSA-N 1 0 302.827 1.459 10 0 DDAERO CCN([C@H](C)COC)S(=O)(=O)Cc1ccccc1C[NH3+] ZINC000042768476 183307042 /nfs/dbraw/zinc/30/70/42/183307042.db2.gz ORKNLRJVPSTUTO-GFCCVEGCSA-N 1 0 300.424 1.332 10 0 DDAERO CC(C)CN(CC[NH+](C)C)S(=O)(=O)c1ccc(NN)cc1 ZINC000042782273 183308279 /nfs/dbraw/zinc/30/82/79/183308279.db2.gz ISNAHAXYDIKILI-UHFFFAOYSA-N 1 0 314.455 1.181 10 0 DDAERO C[C@@H]([NH3+])[C@@H](c1ccc(Br)s1)N(CCO)CCO ZINC000043261272 183349145 /nfs/dbraw/zinc/34/91/45/183349145.db2.gz BQJIASUZOMKWMC-KCJUWKMLSA-N 1 0 323.256 1.186 10 0 DDAERO C[C@@H]([NH3+])[C@H](Oc1cccc(S(C)(=O)=O)c1)c1ccccn1 ZINC000043343874 183355975 /nfs/dbraw/zinc/35/59/75/183355975.db2.gz YQSCIQFESPQZBX-ABAIWWIYSA-N 1 0 306.387 1.952 10 0 DDAERO C[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1c(N)cccc1Cl ZINC000045166654 183487471 /nfs/dbraw/zinc/48/74/71/183487471.db2.gz VKLSHKLKYOEORG-SNVBAGLBSA-N 1 0 317.842 1.685 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(CC(=O)N(C)c2ccccc2)C[C@H]1C ZINC000105821591 194138169 /nfs/dbraw/zinc/13/81/69/194138169.db2.gz HGSBNCWJBUIAAY-HUUCEWRRSA-N 1 0 305.422 1.036 10 0 DDAERO CCc1noc([C@@H](C)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000105862521 194149810 /nfs/dbraw/zinc/14/98/10/194149810.db2.gz UFFDHBVYZFQIIQ-CHWSQXEVSA-N 1 0 310.442 1.718 10 0 DDAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)N(C)Cc2cccc(F)c2)c1 ZINC000105881322 194155728 /nfs/dbraw/zinc/15/57/28/194155728.db2.gz ACKORDHFRRLLCR-AWEZNQCLSA-N 1 0 318.396 1.967 10 0 DDAERO CCc1nccn1[C@H]1CCC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC000105897451 194161842 /nfs/dbraw/zinc/16/18/42/194161842.db2.gz UNAVWFKLJOZHQK-ZDUSSCGKSA-N 1 0 304.394 1.231 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(CCC(=O)Nc2ccccc2)C[C@@H]1C ZINC000105902552 194167413 /nfs/dbraw/zinc/16/74/13/194167413.db2.gz SGFHSSJPTJSYAP-LSDHHAIUSA-N 1 0 305.422 1.402 10 0 DDAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)Nc1ccccc1Cl ZINC000105932716 194173458 /nfs/dbraw/zinc/17/34/58/194173458.db2.gz MBVDGMFTDILAEU-NWDGAFQWSA-N 1 0 311.813 1.587 10 0 DDAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)N(C)Cc1cccc(F)c1 ZINC000105932767 194173518 /nfs/dbraw/zinc/17/35/18/194173518.db2.gz ATUBFMWFDRMNTD-XJKSGUPXSA-N 1 0 323.412 1.093 10 0 DDAERO Cc1ccc(CN(C)S(=O)(=O)CC[C@@H]2CCCC[NH2+]2)o1 ZINC000049643319 183751368 /nfs/dbraw/zinc/75/13/68/183751368.db2.gz XOTNRIUSSZLGKJ-ZDUSSCGKSA-N 1 0 300.424 1.882 10 0 DDAERO C[C@H](C(N)=S)[NH+]1CCN(c2cnnc3ccccc32)CC1 ZINC000110548482 194337967 /nfs/dbraw/zinc/33/79/67/194337967.db2.gz RQSMBICZTYTZCG-LLVKDONJSA-N 1 0 301.419 1.426 10 0 DDAERO Cc1ccc(F)cc1C(=O)NC1CC[NH+](CC(N)=S)CC1 ZINC000110825889 194362556 /nfs/dbraw/zinc/36/25/56/194362556.db2.gz CHAWDUYHDLKYDE-UHFFFAOYSA-N 1 0 309.410 1.614 10 0 DDAERO CC[N@@H+]1CCN(C(=O)[C@H](C(N)=S)c2ccccc2)C[C@@H]1C ZINC000110753078 194357273 /nfs/dbraw/zinc/35/72/73/194357273.db2.gz PQALOONQFWZHMF-JSGCOSHPSA-N 1 0 305.447 1.609 10 0 DDAERO CN(C(=O)c1ccc(Br)cc1O)[C@H]1CCC[NH2+]C1 ZINC000110927433 194370018 /nfs/dbraw/zinc/37/00/18/194370018.db2.gz SZVNCOKKRQOSPY-JTQLQIEISA-N 1 0 313.195 1.979 10 0 DDAERO COc1ccc(S(=O)(=O)N(C)[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000110928406 194370281 /nfs/dbraw/zinc/37/02/81/194370281.db2.gz ILEBQHMCZZASGS-NSHDSACASA-N 1 0 314.407 1.076 10 0 DDAERO CN(Cc1cc(=O)n2cc(Cl)ccc2n1)[C@H]1CCC[NH2+]C1 ZINC000110932048 194371092 /nfs/dbraw/zinc/37/10/92/194371092.db2.gz CSMALJWBDFONRY-ZDUSSCGKSA-N 1 0 306.797 1.532 10 0 DDAERO CCNS(=O)(=O)c1ccc(N(CC)[C@H]2CCC[NH2+]C2)cc1 ZINC000110947381 194373281 /nfs/dbraw/zinc/37/32/81/194373281.db2.gz JLDHLKZPMGRKPH-AWEZNQCLSA-N 1 0 311.451 1.563 10 0 DDAERO CS(=O)(=O)CCSc1nc2c(cc1C[NH3+])CCCC2 ZINC000111005453 194380708 /nfs/dbraw/zinc/38/07/08/194380708.db2.gz CURNUTXUXCDJGZ-UHFFFAOYSA-N 1 0 300.449 1.556 10 0 DDAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)NCC2CCOCC2)cc1 ZINC000111179562 194399514 /nfs/dbraw/zinc/39/95/14/194399514.db2.gz HHQJDAGGPXKNFO-GFCCVEGCSA-N 1 0 312.435 1.672 10 0 DDAERO CC[NH2+]C(C)(C)C(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000061298833 184167762 /nfs/dbraw/zinc/16/77/62/184167762.db2.gz AKDNVEXNVGETOZ-UHFFFAOYSA-N 1 0 309.435 1.421 10 0 DDAERO C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(=O)c1ccc(Br)cn1 ZINC000061863872 184190631 /nfs/dbraw/zinc/19/06/31/184190631.db2.gz HGVMXMFRDYEOLO-LNLATYFQSA-N 1 0 310.195 1.667 10 0 DDAERO CN(c1nc(Cl)nc(-n2cccn2)n1)[C@H]1CCC[N@H+](C)C1 ZINC000061542598 184174254 /nfs/dbraw/zinc/17/42/54/184174254.db2.gz XXWSUPJOLWQHCA-JTQLQIEISA-N 1 0 307.789 1.241 10 0 DDAERO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1N ZINC000061642483 184180360 /nfs/dbraw/zinc/18/03/60/184180360.db2.gz SIRNWAYAWNQGQY-LLVKDONJSA-N 1 0 317.842 1.637 10 0 DDAERO C[NH+](C)C[C@H]1CCCN1CC(=O)Nc1ccc(Cl)c(N)c1 ZINC000061641657 184180493 /nfs/dbraw/zinc/18/04/93/184180493.db2.gz VWLZGPSGSIQVTF-GFCCVEGCSA-N 1 0 310.829 1.887 10 0 DDAERO [NH3+]Cc1ccccc1CNS(=O)(=O)c1cc(F)cc(F)c1 ZINC000061841341 184189206 /nfs/dbraw/zinc/18/92/06/184189206.db2.gz HZRNEKLGEQHHNE-UHFFFAOYSA-N 1 0 312.341 1.902 10 0 DDAERO C[C@H](c1ccccc1F)N(C)S(=O)(=O)N(C)CCC[NH3+] ZINC000062015096 184201661 /nfs/dbraw/zinc/20/16/61/184201661.db2.gz KLMZXFJYZWTJHI-LLVKDONJSA-N 1 0 303.403 1.344 10 0 DDAERO C[C@@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2F)C[NH2+]1 ZINC000062037509 184202680 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O=S1(=O)CCC(NC2=[NH+][C@H](c3ccccc3)CS2)CC1 ZINC000063002029 184265484 /nfs/dbraw/zinc/26/54/84/184265484.db2.gz ZDTMTPGOVAUWJC-ZDUSSCGKSA-N 1 0 310.444 1.997 10 0 DDAERO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(F)c(NN)c(F)c1 ZINC000063007793 184265868 /nfs/dbraw/zinc/26/58/68/184265868.db2.gz GXLCFBJURDYYFH-SECBINFHSA-N 1 0 300.353 1.711 10 0 DDAERO Cc1n[nH]cc1S(=O)(=O)N1CCC[C@@H](C[NH2+]C(C)C)C1 ZINC000063138553 184273223 /nfs/dbraw/zinc/27/32/23/184273223.db2.gz GXSGUAYLDHHIRI-LBPRGKRZSA-N 1 0 300.428 1.117 10 0 DDAERO CCOCCS(=O)(=O)N(CCC[NH3+])c1ccc(C)cc1 ZINC000063153250 184273712 /nfs/dbraw/zinc/27/37/12/184273712.db2.gz VKSVYGUDTYVMKV-UHFFFAOYSA-N 1 0 300.424 1.517 10 0 DDAERO COc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2[NH3+])cc1Cl ZINC000063175137 184276266 /nfs/dbraw/zinc/27/62/66/184276266.db2.gz UPEWMLDYBZVDTR-MNOVXSKESA-N 1 0 304.799 1.507 10 0 DDAERO CC(=O)NC1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000114562669 194671085 /nfs/dbraw/zinc/67/10/85/194671085.db2.gz DUJBABIQXXXCTM-QGZVFWFLSA-N 1 0 306.406 1.165 10 0 DDAERO CC/C=C(/C)C(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000159135364 197330248 /nfs/dbraw/zinc/33/02/48/197330248.db2.gz UQFAIIFWUGDKCP-ZRBJYGNNSA-N 1 0 302.418 1.878 10 0 DDAERO CCc1ccc([C@H](C)NC(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000120297330 195138266 /nfs/dbraw/zinc/13/82/66/195138266.db2.gz ONVYWTHKANXUAO-GUYCJALGSA-N 1 0 307.438 1.922 10 0 DDAERO CCn1c(CN2CCO[C@H](C[NH+](C)C)C2)nc2c1cccc2F ZINC000155333636 197045622 /nfs/dbraw/zinc/04/56/22/197045622.db2.gz WJPZNIJOPRAWQH-CYBMUJFWSA-N 1 0 320.412 1.958 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N1CCc2ccccc2C1 ZINC000175362001 285239278 /nfs/dbraw/zinc/23/92/78/285239278.db2.gz POUKSKLFCJGHDB-GOSISDBHSA-N 1 0 315.461 1.987 10 0 DDAERO Cc1cnn(CC[NH2+][C@H]2CCN(c3c(F)cccc3F)C2=O)c1 ZINC000120564595 195191234 /nfs/dbraw/zinc/19/12/34/195191234.db2.gz SDVRFHPKXCZVDG-AWEZNQCLSA-N 1 0 320.343 1.865 10 0 DDAERO COCC[N@@H+]1CCN(Cc2ccccc2C(=O)OC)C[C@@H]1C ZINC000120773518 195235286 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COc1ccc(CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000049189458 407116392 /nfs/dbraw/zinc/11/63/92/407116392.db2.gz FHVZZTYEZGZMRW-HNNXBMFYSA-N 1 0 321.421 1.341 10 0 DDAERO COCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000079306311 407052542 /nfs/dbraw/zinc/05/25/42/407052542.db2.gz PMZQPGRITPOPIM-STQMWFEESA-N 1 0 324.421 1.896 10 0 DDAERO COC(=O)CCCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000047859385 407082701 /nfs/dbraw/zinc/08/27/01/407082701.db2.gz GHXJMJVLBDDCRB-CQSZACIVSA-N 1 0 307.394 1.542 10 0 DDAERO C[NH+](C)C[C@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)c1ccccc1 ZINC000052567356 407152798 /nfs/dbraw/zinc/15/27/98/407152798.db2.gz IIEVPNNZZOHNBD-CABCVRRESA-N 1 0 318.421 1.196 10 0 DDAERO O=S(=O)(C[C@H]1CCCC[NH2+]1)c1cccc(Br)n1 ZINC000095092374 407206898 /nfs/dbraw/zinc/20/68/98/407206898.db2.gz GLGUBDMKASRHHQ-SECBINFHSA-N 1 0 319.224 1.760 10 0 DDAERO C[NH+](C)C[C@@H](NC(=O)CCOC[C@H]1CCCO1)c1ccccc1 ZINC000097326822 407290913 /nfs/dbraw/zinc/29/09/13/407290913.db2.gz PMSRXKPIDCAICS-IAGOWNOFSA-N 1 0 320.433 1.991 10 0 DDAERO Cc1cnn(-c2ccc(C(N)=O)cc2NC2CC[NH+](C)CC2)c1 ZINC000097378092 407292930 /nfs/dbraw/zinc/29/29/30/407292930.db2.gz VSNANFQBEWXGKQ-UHFFFAOYSA-N 1 0 313.405 1.786 10 0 DDAERO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000122887989 407313660 /nfs/dbraw/zinc/31/36/60/407313660.db2.gz XWBSLAIFBYTREL-CHWSQXEVSA-N 1 0 320.418 1.045 10 0 DDAERO CCOCC[N@@H+]1CCN(C[C@H](O)COC(C)(C)C)C[C@H]1CC ZINC000105914903 407357114 /nfs/dbraw/zinc/35/71/14/407357114.db2.gz KSYHINWGSYEDKK-CVEARBPZSA-N 1 0 316.486 1.595 10 0 DDAERO Cc1cnn([C@@H]2CCC[N@H+](CCC(=O)N3CCOCC3)C2)c1 ZINC000105901360 407357124 /nfs/dbraw/zinc/35/71/24/407357124.db2.gz HGQGOQAMHSMVHU-OAHLLOKOSA-N 1 0 306.410 1.077 10 0 DDAERO CCc1ccc([C@H]2CCCC[N@@H+]2CCN2C(=O)CNC2=O)o1 ZINC000124899020 407373003 /nfs/dbraw/zinc/37/30/03/407373003.db2.gz PJVVOIJAWZOUFJ-CYBMUJFWSA-N 1 0 305.378 1.921 10 0 DDAERO COC(=O)CNC(=O)CC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000111211419 407400548 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C[C@@H]([NH3+])CCNC(=O)c1cc(Br)cnc1N(C)C ZINC000178693280 407552027 /nfs/dbraw/zinc/55/20/27/407552027.db2.gz QBZIFIOUSIVJRP-MRVPVSSYSA-N 1 0 315.215 1.377 10 0 DDAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCN2CCCC[C@H]2C1 ZINC000261624194 407556957 /nfs/dbraw/zinc/55/69/57/407556957.db2.gz CJKSOXQNRPCYIW-OIPACUDHSA-N 1 0 321.465 1.216 10 0 DDAERO Cc1ccccc1CCNC(=O)[C@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178623258 407515227 /nfs/dbraw/zinc/51/52/27/407515227.db2.gz RKMSUKUUPDIJNM-FUHWJXTLSA-N 1 0 315.461 1.822 10 0 DDAERO C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178635962 407520008 /nfs/dbraw/zinc/52/00/08/407520008.db2.gz NZFOMANXPDQBDC-WCQYABFASA-N 1 0 308.813 1.842 10 0 DDAERO CN(C(=O)C1CC1)c1ccccc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170865716 407538598 /nfs/dbraw/zinc/53/85/98/407538598.db2.gz RHADWYKLTHBQIL-CQSZACIVSA-N 1 0 315.417 1.836 10 0 DDAERO CC(=O)N1CCCc2cc(NC(=O)C3([NH3+])CCOCC3)ccc21 ZINC000261820193 407627771 /nfs/dbraw/zinc/62/77/71/407627771.db2.gz KFQQGTUVPDBAGP-UHFFFAOYSA-N 1 0 317.389 1.432 10 0 DDAERO [NH3+]CCNC(=O)[C@H]1CCCN(c2cccc(C(F)(F)F)n2)C1 ZINC000261821840 407628299 /nfs/dbraw/zinc/62/82/99/407628299.db2.gz ASLCQFDTXYYZNJ-JTQLQIEISA-N 1 0 316.327 1.392 10 0 DDAERO C[C@H]1OCCN[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000261845345 407638951 /nfs/dbraw/zinc/63/89/51/407638951.db2.gz ATTCYCCEBPDRNU-CVEARBPZSA-N 1 0 323.481 1.668 10 0 DDAERO CN(C)C(=O)c1cccc(NC(=O)[C@H]([NH3+])C2CCOCC2)c1 ZINC000261853356 407641764 /nfs/dbraw/zinc/64/17/64/407641764.db2.gz RRNSQGOWLLQEJP-CQSZACIVSA-N 1 0 305.378 1.081 10 0 DDAERO CCO[C@H]1C[C@H]([NH2+]CCN(C)CCCOC)C12CCOCC2 ZINC000186358652 407647725 /nfs/dbraw/zinc/64/77/25/407647725.db2.gz DPYQTIFZBRLVFI-HOTGVXAUSA-N 1 0 314.470 1.519 10 0 DDAERO CN1CCO[C@H](CNC(=O)c2ccn(-c3ccc(F)cc3)n2)C1 ZINC000171287766 407647878 /nfs/dbraw/zinc/64/78/78/407647878.db2.gz BPNCNAUMELNPBP-CQSZACIVSA-N 1 0 318.352 1.072 10 0 DDAERO [NH3+][C@H](C(=O)N[C@@H]1COc2ccc(Cl)cc21)C1CCOCC1 ZINC000261731084 407594683 /nfs/dbraw/zinc/59/46/83/407594683.db2.gz JWFFRZBRBBNUTB-OCCSQVGLSA-N 1 0 310.781 1.644 10 0 DDAERO Cc1ccn2cc(CN[C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)nc2c1 ZINC000261915757 407669161 /nfs/dbraw/zinc/66/91/61/407669161.db2.gz JPAGLCZDCQJDQE-ZACQAIPSSA-N 1 0 314.433 1.889 10 0 DDAERO C[C@]1(C(=O)N2CCN(c3ccccc3O)CC2)CCCC[NH2+]1 ZINC000262062507 407729467 /nfs/dbraw/zinc/72/94/67/407729467.db2.gz FDMDXWPUSLOUHA-QGZVFWFLSA-N 1 0 303.406 1.573 10 0 DDAERO [NH3+]C1(C(=O)NC2CCN(c3ccccc3)CC2)CCOCC1 ZINC000261945981 407684000 /nfs/dbraw/zinc/68/40/00/407684000.db2.gz YFOYQXIOWKFFNI-UHFFFAOYSA-N 1 0 303.406 1.280 10 0 DDAERO c1cn2c(cccc2C[NH2+][C@@H]2CCCN(c3cccnn3)C2)n1 ZINC000179036596 407699638 /nfs/dbraw/zinc/69/96/38/407699638.db2.gz KPLBFVNTUAFVOB-CQSZACIVSA-N 1 0 308.389 1.883 10 0 DDAERO C[C@@H]1C[C@@H](NC(=O)N2CCC(c3cc[nH]n3)CC2)C[N@@H+]1C1CC1 ZINC000130626613 407699972 /nfs/dbraw/zinc/69/99/72/407699972.db2.gz BJINLWRFOIXREB-TZMCWYRMSA-N 1 0 317.437 1.924 10 0 DDAERO Cn1nc(CC(C)(C)C)cc1NC(=O)C1(C[NH3+])CCOCC1 ZINC000261901973 407662337 /nfs/dbraw/zinc/66/23/37/407662337.db2.gz HVMYMSARJLZVMO-UHFFFAOYSA-N 1 0 308.426 1.703 10 0 DDAERO CC(=O)Nc1ccc(C)c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000186682939 407740315 /nfs/dbraw/zinc/74/03/15/407740315.db2.gz ANUYXRSZBPWDLG-OAHLLOKOSA-N 1 0 301.390 1.874 10 0 DDAERO CCc1nnc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1C ZINC000179181346 407747536 /nfs/dbraw/zinc/74/75/36/407747536.db2.gz FBJRWTLSBMXSFQ-HIFRSBDPSA-N 1 0 303.454 1.826 10 0 DDAERO COCCO[C@@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000179287405 407765668 /nfs/dbraw/zinc/76/56/68/407765668.db2.gz BFRBRBCXVSTJEE-ZWKOTPCHSA-N 1 0 323.433 1.692 10 0 DDAERO COC[C@@H]([NH3+])C(=O)NCC1(c2c(F)cccc2F)CCCC1 ZINC000262233829 407771295 /nfs/dbraw/zinc/77/12/95/407771295.db2.gz HCBVGXQCMLNQOI-CYBMUJFWSA-N 1 0 312.360 1.867 10 0 DDAERO COc1cccc(-c2noc(N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)n2)c1 ZINC000153194550 407771697 /nfs/dbraw/zinc/77/16/97/407771697.db2.gz NPGNJYAHVUPDLA-KBPBESRZSA-N 1 0 316.361 1.264 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)Cn2ccc3ccccc32)CCO1 ZINC000116790729 407775407 /nfs/dbraw/zinc/77/54/07/407775407.db2.gz SMGGHWONHCEBTN-OAHLLOKOSA-N 1 0 301.390 1.430 10 0 DDAERO COC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccn1 ZINC000262248984 407776320 /nfs/dbraw/zinc/77/63/20/407776320.db2.gz ILTCVGPPQBODSJ-RDJZCZTQSA-N 1 0 313.401 1.764 10 0 DDAERO Cc1ccc(OCC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1C ZINC000116796444 407780744 /nfs/dbraw/zinc/78/07/44/407780744.db2.gz LHFZOZWOUHQUBU-INIZCTEOSA-N 1 0 306.406 1.471 10 0 DDAERO Cc1cccnc1NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000171843570 407782249 /nfs/dbraw/zinc/78/22/49/407782249.db2.gz OAFPABCXDPHQAT-AWEZNQCLSA-N 1 0 320.437 1.947 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)Cc2c[nH]c3ccccc23)CCO1 ZINC000116784659 407777325 /nfs/dbraw/zinc/77/73/25/407777325.db2.gz JNUKUSMCGRFDSB-AWEZNQCLSA-N 1 0 301.390 1.499 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)CCC(=O)c2ccccc2)CCO1 ZINC000116796303 407778796 /nfs/dbraw/zinc/77/87/96/407778796.db2.gz ILZJPUAFXYEOJK-HNNXBMFYSA-N 1 0 304.390 1.439 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(-n3cccc3)cc2)CCO1 ZINC000116793955 407778962 /nfs/dbraw/zinc/77/89/62/407778962.db2.gz RMHQVPPHPITURF-QGZVFWFLSA-N 1 0 313.401 1.880 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCOc3ccccc32)CCO1 ZINC000116792765 407780011 /nfs/dbraw/zinc/78/00/11/407780011.db2.gz WYJUUTBPQMMQIQ-UKRRQHHQSA-N 1 0 304.390 1.342 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)NCc2cc3ccccc3o2)CCO1 ZINC000117035196 407806577 /nfs/dbraw/zinc/80/65/77/407806577.db2.gz QTIFTRMFWIMCHQ-HNNXBMFYSA-N 1 0 317.389 1.905 10 0 DDAERO CC[C@@H]1CN(C(=O)NC(C2CC2)C2CC2)CC[N@@H+]1CCOC ZINC000117474073 407840140 /nfs/dbraw/zinc/84/01/40/407840140.db2.gz OEMXKMCPWVCPHC-OAHLLOKOSA-N 1 0 309.454 1.927 10 0 DDAERO CCN(CC)C(=O)[C@H](C)N1CCC[C@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000262565230 407868209 /nfs/dbraw/zinc/86/82/09/407868209.db2.gz ZYYSDNVHLOVMGX-KBPBESRZSA-N 1 0 313.442 1.114 10 0 DDAERO CC(C)C[C@H](C(=O)N[C@H]1CCC[C@H]1C[NH3+])N1CCCCC1=O ZINC000262643747 407889136 /nfs/dbraw/zinc/88/91/36/407889136.db2.gz UABDQOWFLWEINM-SOUVJXGZSA-N 1 0 309.454 1.657 10 0 DDAERO CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000262649318 407892413 /nfs/dbraw/zinc/89/24/13/407892413.db2.gz WTGFCXNUISUNTQ-IHRRRGAJSA-N 1 0 309.454 1.515 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000174089678 407914601 /nfs/dbraw/zinc/91/46/01/407914601.db2.gz FLCDFPGQOXLUCG-CZUORRHYSA-N 1 0 314.376 1.387 10 0 DDAERO CC1(C)CC[C@@H](CNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)O1 ZINC000188189363 407922113 /nfs/dbraw/zinc/92/21/13/407922113.db2.gz QKVCUEBATDOBRD-KGLIPLIRSA-N 1 0 313.442 1.090 10 0 DDAERO Cc1[nH]nc2nc(C)cc(-c3nc([C@@H]4C[NH2+]CCN4C)no3)c12 ZINC000263177636 408047319 /nfs/dbraw/zinc/04/73/19/408047319.db2.gz GHWKSUBTSRZLIQ-NSHDSACASA-N 1 0 313.365 1.201 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(CCCCC(=O)OC(C)(C)C)CC1 ZINC000181922862 408054176 /nfs/dbraw/zinc/05/41/76/408054176.db2.gz DPPHQXRKQPVYRY-HNNXBMFYSA-N 1 0 314.470 1.887 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](C)C(=O)OC(C)C ZINC000245473190 407992648 /nfs/dbraw/zinc/99/26/48/407992648.db2.gz PSVPXGIRGVEFKK-KBPBESRZSA-N 1 0 313.442 1.700 10 0 DDAERO FC(F)C(F)(F)COCC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000189219254 408004016 /nfs/dbraw/zinc/00/40/16/408004016.db2.gz DZSKURJNLXSCPO-JTQLQIEISA-N 1 0 310.295 1.832 10 0 DDAERO COCCOc1cccc(CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1 ZINC000245746796 408061840 /nfs/dbraw/zinc/06/18/40/408061840.db2.gz MWTRSFFNBGTAFS-HOTGVXAUSA-N 1 0 322.449 1.599 10 0 DDAERO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000175185137 408071139 /nfs/dbraw/zinc/07/11/39/408071139.db2.gz YLMDNBIZILBTGL-AWEZNQCLSA-N 1 0 305.426 1.244 10 0 DDAERO CNc1c(Cl)ncnc1NC[C@H](c1cnn(C)c1)[NH+](C)C ZINC000136048078 408072351 /nfs/dbraw/zinc/07/23/51/408072351.db2.gz LQSHMVQLBLCKPW-SNVBAGLBSA-N 1 0 309.805 1.620 10 0 DDAERO CC[C@@H]1CN(Cc2nc([C@@H](C)OC)no2)CC[N@@H+]1CCOC ZINC000175190388 408072638 /nfs/dbraw/zinc/07/26/38/408072638.db2.gz QCACUTNYWDSEEI-CHWSQXEVSA-N 1 0 312.414 1.320 10 0 DDAERO CO[C@H](C)c1nc(CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cs1 ZINC000175188798 408074687 /nfs/dbraw/zinc/07/46/87/408074687.db2.gz ADYLXRKHYFSSNO-YNEHKIRRSA-N 1 0 313.467 1.737 10 0 DDAERO COc1cc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)cc(OC)c1C ZINC000263287575 408089194 /nfs/dbraw/zinc/08/91/94/408089194.db2.gz VFHPYMRIKXUESQ-LBPRGKRZSA-N 1 0 318.377 1.638 10 0 DDAERO CCn1cc(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)cn1 ZINC000120183315 408121232 /nfs/dbraw/zinc/12/12/32/408121232.db2.gz ORRKGJZLZDYQSZ-HNNXBMFYSA-N 1 0 300.410 1.794 10 0 DDAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C)O2)[C@H](C)C1 ZINC000155088686 408124290 /nfs/dbraw/zinc/12/42/90/408124290.db2.gz WMHWIGCJCAIFAU-UGUYLWEFSA-N 1 0 312.454 1.807 10 0 DDAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCC2(C)CCC2)CC1 ZINC000181929561 408054657 /nfs/dbraw/zinc/05/46/57/408054657.db2.gz FQRFOHFHLJBIQD-AWEZNQCLSA-N 1 0 311.470 1.911 10 0 DDAERO CC(C)(C)S(=O)(=O)c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000246059921 408132050 /nfs/dbraw/zinc/13/20/50/408132050.db2.gz AQUKYXWGQXQRNM-AWEZNQCLSA-N 1 0 323.462 1.938 10 0 DDAERO CC(C)Cn1ccnc1CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000175470288 408140371 /nfs/dbraw/zinc/14/03/71/408140371.db2.gz HIKMLILJAIIBPE-AWEZNQCLSA-N 1 0 323.441 1.011 10 0 DDAERO CCO[C@H]1C[C@@H]([N@H+](C)CCNS(=O)(=O)CC)C12CCCC2 ZINC000121117349 408155254 /nfs/dbraw/zinc/15/52/54/408155254.db2.gz CDCCCRKEPQBSPY-KGLIPLIRSA-N 1 0 318.483 1.595 10 0 DDAERO Cc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1C ZINC000190078352 408159348 /nfs/dbraw/zinc/15/93/48/408159348.db2.gz AACYJYLUHKJWJE-GOEBONIOSA-N 1 0 315.417 1.937 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(OC)c(O)c(OC)c2)C1 ZINC000137947273 408163275 /nfs/dbraw/zinc/16/32/75/408163275.db2.gz VBNIDSJNNYLNOB-LBPRGKRZSA-N 1 0 308.378 1.624 10 0 DDAERO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000175605683 408172918 /nfs/dbraw/zinc/17/29/18/408172918.db2.gz VRUUYGDNSSEQRI-HYVNUMGLSA-N 1 0 302.418 1.848 10 0 DDAERO COc1ccc(NC(=O)[C@@H](C)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000246212584 408180287 /nfs/dbraw/zinc/18/02/87/408180287.db2.gz AQEHVUNUGLHEEI-HIFRSBDPSA-N 1 0 303.406 1.802 10 0 DDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2cccc(C(N)=O)c2)C1 ZINC000246240391 408187236 /nfs/dbraw/zinc/18/72/36/408187236.db2.gz OAFBPUMIDQHOEJ-SMDDNHRTSA-N 1 0 304.394 1.636 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCn2ccnc2C1 ZINC000246414439 408249743 /nfs/dbraw/zinc/24/97/43/408249743.db2.gz BTJQVQQFAXYRNT-KFWWJZLASA-N 1 0 302.422 1.531 10 0 DDAERO O=C(N[C@H]1COc2ccccc21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246431794 408256717 /nfs/dbraw/zinc/25/67/17/408256717.db2.gz MZDZBYAREUZMBY-ZFWWWQNUSA-N 1 0 301.390 2.000 10 0 DDAERO C[C@H]1CC[C@@H](C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)O1 ZINC000150831125 408207479 /nfs/dbraw/zinc/20/74/79/408207479.db2.gz NENHARIPMOZZMB-YOEHRIQHSA-N 1 0 317.433 1.940 10 0 DDAERO C[NH+](C)C[C@H](NC(=O)COCC(F)(F)F)c1ccccc1 ZINC000121445115 408212942 /nfs/dbraw/zinc/21/29/42/408212942.db2.gz WPLQWCFVOANNRI-LBPRGKRZSA-N 1 0 304.312 1.984 10 0 DDAERO COc1ccc(OC)c(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000246355829 408231521 /nfs/dbraw/zinc/23/15/21/408231521.db2.gz GGHBEFGPNWBLHF-RHSMWYFYSA-N 1 0 320.433 1.856 10 0 DDAERO CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000246476834 408265923 /nfs/dbraw/zinc/26/59/23/408265923.db2.gz RDGFWJIBVOWSIP-CVEARBPZSA-N 1 0 306.406 1.165 10 0 DDAERO COC(=O)C(C)(C)CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000158038896 408324134 /nfs/dbraw/zinc/32/41/34/408324134.db2.gz XWFNAUUNEHADBF-AWEZNQCLSA-N 1 0 306.406 1.475 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCCC(=O)NC2CC2)C1 ZINC000158142717 408326873 /nfs/dbraw/zinc/32/68/73/408326873.db2.gz VPCSLQIFVYDMJY-OCCSQVGLSA-N 1 0 310.442 1.073 10 0 DDAERO 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C[C@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cn(C)nn1 ZINC000715839162 699277311 /nfs/dbraw/zinc/27/73/11/699277311.db2.gz SKGLSDVQRQFLCH-RYUDHWBXSA-N 1 0 309.414 1.723 10 0 DDAERO O[C@@H](COCc1ccccc1)C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000718986909 699296694 /nfs/dbraw/zinc/29/66/94/699296694.db2.gz FXMPQTCTFDNQHC-JKSUJKDBSA-N 1 0 307.390 1.259 10 0 DDAERO CC(C)(C)OC(=O)N1C[C@@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CO1 ZINC000724643631 699327415 /nfs/dbraw/zinc/32/74/15/699327415.db2.gz MXZYJWQDHIYEIY-XQHKEYJVSA-N 1 0 312.410 1.940 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CCc1cnn(C)n1 ZINC000826794120 705873130 /nfs/dbraw/zinc/87/31/30/705873130.db2.gz NMGFXYKGCWLMGR-CABCVRRESA-N 1 0 305.426 1.223 10 0 DDAERO Cc1cc(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc(Cl)n1 ZINC000898074947 708534607 /nfs/dbraw/zinc/53/46/07/708534607.db2.gz AZZCFRONKOBRDZ-QWHCGFSZSA-N 1 0 309.797 1.523 10 0 DDAERO CO[C@@H]1C[N@H+](Cc2cccc3c2OCO3)C[C@H]1c1cn(C)nn1 ZINC000886093478 708696906 /nfs/dbraw/zinc/69/69/06/708696906.db2.gz ZPGYGRCXKXQSIX-SWLSCSKDSA-N 1 0 316.361 1.158 10 0 DDAERO Cc1ccc(-c2noc(CN3CCCC[C@@H]([NH3+])C3=O)n2)cn1 ZINC000888078373 709210258 /nfs/dbraw/zinc/21/02/58/709210258.db2.gz MELILDBNYZUZKA-GFCCVEGCSA-N 1 0 301.350 1.280 10 0 DDAERO Cc1c[nH]c(C[NH2+][C@@H]2CCCC[C@@H]2CC2N=NC(=O)N2C)n1 ZINC000888098986 709213088 /nfs/dbraw/zinc/21/30/88/709213088.db2.gz OKEPDTQCPNRHJN-VXGBXAGGSA-N 1 0 304.398 1.443 10 0 DDAERO Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)C2)n1 ZINC000900604190 709673578 /nfs/dbraw/zinc/67/35/78/709673578.db2.gz RFTSDFSGABBRHE-BFYDXBDKSA-N 1 0 320.437 1.119 10 0 DDAERO Cc1ccn2cc(CN3CC4(CC[NH2+]CC4)OC3=O)nc2c1 ZINC000095502550 185374995 /nfs/dbraw/zinc/37/49/95/185374995.db2.gz LOCNBCUDGAHPEN-UHFFFAOYSA-N 1 0 300.362 1.717 10 0 DDAERO C[NH2+][C@H](CSc1nccc(=O)[nH]1)c1ccc2c(c1)OCO2 ZINC000081775152 192322716 /nfs/dbraw/zinc/32/27/16/192322716.db2.gz YVNGXCPHXYHYET-SNVBAGLBSA-N 1 0 305.359 1.964 10 0 DDAERO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN([C@H](C)C(=O)N(C)C)C1 ZINC000248661165 282097591 /nfs/dbraw/zinc/09/75/91/282097591.db2.gz WRSCMWIWQHERFX-KGLIPLIRSA-N 1 0 324.494 1.682 10 0 DDAERO C[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)Sc1n[nH]c(=O)n1C ZINC000081880630 192334077 /nfs/dbraw/zinc/33/40/77/192334077.db2.gz FDRBCIBGYWFQNR-SKDRFNHKSA-N 1 0 308.407 1.558 10 0 DDAERO C[NH2+][C@@H]1CCOC[C@@H]1Sc1ccc(S(C)(=O)=O)cc1 ZINC000081892272 192334569 /nfs/dbraw/zinc/33/45/69/192334569.db2.gz ZBEPLQFPHCOTIH-OLZOCXBDSA-N 1 0 301.433 1.559 10 0 DDAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)CS(=O)(=O)CC)C12CCOCC2 ZINC000249011394 282127200 /nfs/dbraw/zinc/12/72/00/282127200.db2.gz OUQWDUORKZJIEZ-HZSPNIEDSA-N 1 0 319.467 1.373 10 0 DDAERO C[C@@H](c1ccc(F)cc1Cl)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000078902993 185126270 /nfs/dbraw/zinc/12/62/70/185126270.db2.gz XASCFNJUPYOIIP-NSHDSACASA-N 1 0 313.804 1.904 10 0 DDAERO COc1ccc(F)cc1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000181287662 199276879 /nfs/dbraw/zinc/27/68/79/199276879.db2.gz UHTAAWUMCXZCDD-LBPRGKRZSA-N 1 0 311.357 1.629 10 0 DDAERO CC[NH2+][C@H]1CCOC[C@@H]1S(=O)(=O)c1cc(F)ccc1F ZINC000081945937 192345487 /nfs/dbraw/zinc/34/54/87/192345487.db2.gz FQCZEARGXAODPY-AAEUAGOBSA-N 1 0 305.346 1.506 10 0 DDAERO C[NH+]1CCC(N2CCN(C(=O)c3cccc(F)c3)CC2)CC1 ZINC000082348079 185176763 /nfs/dbraw/zinc/17/67/63/185176763.db2.gz AKAQYHBKTKULHW-UHFFFAOYSA-N 1 0 305.397 1.678 10 0 DDAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1cccc2nsnc21 ZINC000087404366 185223835 /nfs/dbraw/zinc/22/38/35/185223835.db2.gz JBVRAPPULQADQH-QMMMGPOBSA-N 1 0 300.409 1.097 10 0 DDAERO CCC[C@H](C[NH3+])C(=O)Nc1cc(S(=O)(=O)NC)ccc1C ZINC000087516270 185227526 /nfs/dbraw/zinc/22/75/26/185227526.db2.gz SQETUUQWWCBWQW-LLVKDONJSA-N 1 0 313.423 1.217 10 0 DDAERO CC(C)(O)C[NH+]1CCN(CCCC(C)(C)C(N)=S)CC1 ZINC000087608133 185229257 /nfs/dbraw/zinc/22/92/57/185229257.db2.gz GAFWPFDTZNCAAR-UHFFFAOYSA-N 1 0 301.500 1.467 10 0 DDAERO CC[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)S(=O)(=O)CC(=O)OC ZINC000081976577 192347860 /nfs/dbraw/zinc/34/78/60/192347860.db2.gz PXXQWPWZOZZIGH-IUODEOHRSA-N 1 0 313.419 1.622 10 0 DDAERO NNc1nc(Oc2ccccc2CO)c(Br)c[nH+]1 ZINC000087889389 185234645 /nfs/dbraw/zinc/23/46/45/185234645.db2.gz MPQGVLDHGKPVQK-UHFFFAOYSA-N 1 0 311.139 1.809 10 0 DDAERO [NH3+]C[C@@H](NC[C@@H]1CCCO1)c1cc(Cl)c2c(c1)OCCO2 ZINC000087928482 185237681 /nfs/dbraw/zinc/23/76/81/185237681.db2.gz CJXIHILAQQSNRQ-WCQYABFASA-N 1 0 312.797 1.880 10 0 DDAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc2nc(N)sc2c1 ZINC000087847695 185233323 /nfs/dbraw/zinc/23/33/23/185233323.db2.gz IVWVSHJOXQXQRP-JTQLQIEISA-N 1 0 304.419 1.902 10 0 DDAERO CN(C[C@H]1CCCCO1)c1nc(NN)[nH+]cc1Br ZINC000087864460 185233774 /nfs/dbraw/zinc/23/37/74/185233774.db2.gz DQFOZQIBNKFPBX-MRVPVSSYSA-N 1 0 316.203 1.530 10 0 DDAERO COc1ccc(Br)c(CN2CCC[NH2+]CC2=O)c1 ZINC000087882136 185234381 /nfs/dbraw/zinc/23/43/81/185234381.db2.gz UJLOXJDHJOBGFG-UHFFFAOYSA-N 1 0 313.195 1.780 10 0 DDAERO CCCc1ccc([C@@H]([NH3+])CS(=O)(=O)CC(=O)OCC)cc1 ZINC000081977454 192347966 /nfs/dbraw/zinc/34/79/66/192347966.db2.gz OWLAJHLBPPSIHV-AWEZNQCLSA-N 1 0 313.419 1.617 10 0 DDAERO C[C@@H](NC(=O)Nc1ccccc1)C(=O)N(C)CCC[NH+](C)C ZINC000181990127 539238758 /nfs/dbraw/zinc/23/87/58/539238758.db2.gz HVIRZNCOTZNJBT-CYBMUJFWSA-N 1 0 306.410 1.607 10 0 DDAERO CCOc1cccc(CNC(=O)C[NH2+][C@@H](C(=O)NC)C(C)C)c1 ZINC000183687321 539243051 /nfs/dbraw/zinc/24/30/51/539243051.db2.gz YZWWXHMSPWOWNF-MRXNPFEDSA-N 1 0 321.421 1.062 10 0 DDAERO CC(C)C[C@@H](C[NH3+])CC(=O)N1CCN(CC(F)(F)F)CC1 ZINC000088278043 185244558 /nfs/dbraw/zinc/24/45/58/185244558.db2.gz QLUOZFCZRXMBJR-GFCCVEGCSA-N 1 0 309.376 1.704 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)N1CCCc2ccccc21)C(C)C ZINC000183632855 539242501 /nfs/dbraw/zinc/24/25/01/539242501.db2.gz MGPWSQHVNQKXCK-MRXNPFEDSA-N 1 0 303.406 1.326 10 0 DDAERO COC[C@H](C)n1ccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)n1 ZINC000251437025 282201406 /nfs/dbraw/zinc/20/14/06/282201406.db2.gz CASPPZQQZQWABQ-MELADBBJSA-N 1 0 323.441 1.941 10 0 DDAERO CCC[NH2+][C@@](C)(CCN1CCC(C(F)(F)F)CC1)C(N)=O ZINC000088435443 185250439 /nfs/dbraw/zinc/25/04/39/185250439.db2.gz DOWKPBZCVNCMMD-ZDUSSCGKSA-N 1 0 309.376 1.894 10 0 DDAERO CCOCCCNS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088542152 185256024 /nfs/dbraw/zinc/25/60/24/185256024.db2.gz VALLOYHBDQDZKP-UHFFFAOYSA-N 1 0 304.412 1.483 10 0 DDAERO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CNc3nc(CC[NH3+])nn32)C1 ZINC000232498741 539267033 /nfs/dbraw/zinc/26/70/33/539267033.db2.gz PPKQVUQDPOSZGA-MNOVXSKESA-N 1 0 322.413 1.003 10 0 DDAERO CC(C)(C)OC(=O)N1CCC([NH2+][C@H]2C=CS(=O)(=O)C2)CC1 ZINC000088854797 185267213 /nfs/dbraw/zinc/26/72/13/185267213.db2.gz YTGHXHOFITTZST-LBPRGKRZSA-N 1 0 316.423 1.286 10 0 DDAERO O=S(=O)(c1cccc(CO)c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000088873232 185267759 /nfs/dbraw/zinc/26/77/59/185267759.db2.gz XZGGARSXUYKYJV-CQSZACIVSA-N 1 0 310.419 1.038 10 0 DDAERO COCCCS(=O)(=O)[C@@H](C)[C@@H]([NH3+])c1ccc(OC)cc1 ZINC000081985892 192349518 /nfs/dbraw/zinc/34/95/18/192349518.db2.gz HBCDPQAVZVLMAW-SMDDNHRTSA-N 1 0 301.408 1.535 10 0 DDAERO Cc1csc2nc(C)c(C[NH2+][C@H]3CCC(=O)N(C)C3=O)n12 ZINC000090025493 185278856 /nfs/dbraw/zinc/27/88/56/185278856.db2.gz CMGOXHGFZLNKBC-JTQLQIEISA-N 1 0 306.391 1.250 10 0 DDAERO Nc1c[nH+]c2ccc(Br)cc2c1NC[C@@H](O)CO ZINC000090282678 185289240 /nfs/dbraw/zinc/28/92/40/185289240.db2.gz ICSNBPUKIHVFPB-MRVPVSSYSA-N 1 0 312.167 1.345 10 0 DDAERO CCCN(CC(=O)NCCc1cccc(Cl)c1)C1C[NH2+]C1 ZINC000090293938 185289951 /nfs/dbraw/zinc/28/99/51/185289951.db2.gz VJOIEFNBTLGZAN-UHFFFAOYSA-N 1 0 309.841 1.683 10 0 DDAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000090313409 185290801 /nfs/dbraw/zinc/29/08/01/185290801.db2.gz ARJDBPJUIBHGLE-TUAOUCFPSA-N 1 0 320.361 1.600 10 0 DDAERO Cc1ccc(C)c([C@H]([NH3+])C[S@](=O)CCS(C)(=O)=O)c1 ZINC000081992393 192352619 /nfs/dbraw/zinc/35/26/19/192352619.db2.gz KJPVQQKOBIMBCK-ACJLOTCBSA-N 1 0 303.449 1.097 10 0 DDAERO O=S(=O)(c1cccc2cnccc21)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090321880 185290882 /nfs/dbraw/zinc/29/08/82/185290882.db2.gz LJYZUFHIBICCTN-STQMWFEESA-N 1 0 303.387 1.075 10 0 DDAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)Cc1ccc(F)cc1 ZINC000090331867 185291672 /nfs/dbraw/zinc/29/16/72/185291672.db2.gz ZJWRJSVKWALCGM-VHDGCEQUSA-N 1 0 312.410 1.585 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1cc(C)ccc1C ZINC000090331925 185291691 /nfs/dbraw/zinc/29/16/91/185291691.db2.gz AUBKTDMAWVCCLJ-RBSFLKMASA-N 1 0 308.447 1.922 10 0 DDAERO COc1ccc(OC(F)F)c(NC(=O)[C@@H]2COC[C@H]2[NH3+])c1 ZINC000090380372 185293443 /nfs/dbraw/zinc/29/34/43/185293443.db2.gz AYACOCIBZCRQOT-RKDXNWHRSA-N 1 0 302.277 1.209 10 0 DDAERO [NH3+][C@H]1COC[C@@H]1C(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000090381891 185293470 /nfs/dbraw/zinc/29/34/70/185293470.db2.gz IUJZSXSLLQUFFX-RYUDHWBXSA-N 1 0 302.296 1.551 10 0 DDAERO CSc1nc2ccc(NC(=O)[C@H]3COC[C@@H]3[NH3+])cc2s1 ZINC000090379999 185293619 /nfs/dbraw/zinc/29/36/19/185293619.db2.gz UMEFZJJUZKEJHV-IUCAKERBSA-N 1 0 309.416 1.930 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)N(C)Cc1ccc(Br)o1 ZINC000090435431 185296373 /nfs/dbraw/zinc/29/63/73/185296373.db2.gz HLFZHSKBNXYYKM-NXEZZACHSA-N 1 0 317.183 1.235 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1CN1CCN(c2ccccc2Cl)CC1 ZINC000090438663 185296599 /nfs/dbraw/zinc/29/65/99/185296599.db2.gz UOLCWPNBFIHRNT-DZGCQCFKSA-N 1 0 309.841 1.696 10 0 DDAERO COc1cc(NC(=O)[C@]2(C)COC[C@@H]2[NH3+])c(OC)cc1Cl ZINC000090580374 185304867 /nfs/dbraw/zinc/30/48/67/185304867.db2.gz JGIRRMLSOOPSFN-GXTWGEPZSA-N 1 0 314.769 1.660 10 0 DDAERO C[NH2+]CCn1nnnc1SCc1ccnc2ccccc12 ZINC000092365427 185313975 /nfs/dbraw/zinc/31/39/75/185313975.db2.gz FXZKBOOPLXOBFN-UHFFFAOYSA-N 1 0 300.391 1.733 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(C(=O)/C=C\c2cncc(F)c2)CC1 ZINC000255223560 282241299 /nfs/dbraw/zinc/24/12/99/282241299.db2.gz NRMMHLZPVOEUQI-JZIMQPMSSA-N 1 0 307.369 1.149 10 0 DDAERO CCNc1ncccc1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000092672737 185332993 /nfs/dbraw/zinc/33/29/93/185332993.db2.gz BYEVNXCXEYRUNX-LBPRGKRZSA-N 1 0 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DDAERO CCc1nc(-n2nc(C)cc2C)nc(N2CC[NH2+]CC2)c1C ZINC000073662884 191339449 /nfs/dbraw/zinc/33/94/49/191339449.db2.gz WZIDTPFLGQWLRP-UHFFFAOYSA-N 1 0 300.410 1.560 10 0 DDAERO [NH3+][C@@H]1CCN(Cc2cc(=O)[nH]c(-c3cccc(Cl)c3)n2)C1 ZINC000073696155 191342660 /nfs/dbraw/zinc/34/26/60/191342660.db2.gz LNLJDXJUMCEEKG-GFCCVEGCSA-N 1 0 304.781 1.623 10 0 DDAERO CCOC(=O)[C@@H]1CCCN(C(=O)CCCC[n+]2ccccc2)C1 ZINC000075304504 191459540 /nfs/dbraw/zinc/45/95/40/191459540.db2.gz ZCHXJIJXJHXWSW-MRXNPFEDSA-N 1 0 319.425 1.946 10 0 DDAERO C[C@H](c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O)N1CC[NH2+]CC1 ZINC000075270995 191453609 /nfs/dbraw/zinc/45/36/09/191453609.db2.gz SPXMMNVCQOZBTL-QWHCGFSZSA-N 1 0 323.462 1.363 10 0 DDAERO C[C@H](O)[C@@H]([NH3+])CNc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000080740935 192186749 /nfs/dbraw/zinc/18/67/49/192186749.db2.gz RSHVQGREFHUTTO-XVKPBYJWSA-N 1 0 312.313 1.100 10 0 DDAERO CC[C@@](C)([NH3+])COc1ccccc1S(=O)(=O)NC(C)C ZINC000080843758 192195720 /nfs/dbraw/zinc/19/57/20/192195720.db2.gz AWQLCPTWQOCHIU-CQSZACIVSA-N 1 0 300.424 1.880 10 0 DDAERO CCC[NH2+][C@@H](CC)CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000081533474 192284464 /nfs/dbraw/zinc/28/44/64/192284464.db2.gz YJWXXRPJLXEERG-JTQLQIEISA-N 1 0 305.348 1.891 10 0 DDAERO CC(C)C[C@](C)(C[NH3+])N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081532259 192284543 /nfs/dbraw/zinc/28/45/43/192284543.db2.gz WCVVBLCHJJTBJX-GFCCVEGCSA-N 1 0 305.348 1.876 10 0 DDAERO C[NH2+]Cc1csc(N2CCn3c(nnc3C(F)(F)F)C2)n1 ZINC000081549670 192288693 /nfs/dbraw/zinc/28/86/93/192288693.db2.gz FEXPOTYMZPOEKM-UHFFFAOYSA-N 1 0 318.328 1.493 10 0 DDAERO CCC[C@H]([NH3+])C(=O)N1CCN(c2cccc(OCC)n2)CC1 ZINC000236828804 202029947 /nfs/dbraw/zinc/02/99/47/202029947.db2.gz DWWLIKCBBABZCK-ZDUSSCGKSA-N 1 0 306.410 1.256 10 0 DDAERO CCN(CC(=O)NCc1ccc(F)cc1)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000236895816 202058876 /nfs/dbraw/zinc/05/88/76/202058876.db2.gz BMVRYQHQBMLUQI-LSDHHAIUSA-N 1 0 321.396 1.418 10 0 DDAERO C[C@@]1(C2CC2)CN(Cc2ccc(S(C)(=O)=O)cc2)CC[NH2+]1 ZINC000086146596 192549266 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ZINC000180486434 199165304 /nfs/dbraw/zinc/16/53/04/199165304.db2.gz GZYDKWCANSKRNG-QAPCUYQASA-N 1 0 314.433 1.913 10 0 DDAERO COC(=O)c1cncc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000180586201 199180595 /nfs/dbraw/zinc/18/05/95/199180595.db2.gz DUIQZESHUFXUHJ-CQSZACIVSA-N 1 0 318.377 1.570 10 0 DDAERO C[C@@H]1CN(c2ncc(I)cn2)C[C@@H]1C[NH3+] ZINC000600961698 358358216 /nfs/dbraw/zinc/35/82/16/358358216.db2.gz UZFVHAFAZYGXIN-SFYZADRCSA-N 1 0 318.162 1.112 10 0 DDAERO CO[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCOC1 ZINC000276482074 212909539 /nfs/dbraw/zinc/90/95/39/212909539.db2.gz SBYLWSJLWVSBLS-DOTOQJQBSA-N 1 0 304.390 1.183 10 0 DDAERO Cc1ccc(CNS(=O)(=O)c2n[nH]c(C)c2C[NH3+])s1 ZINC000089021454 192699388 /nfs/dbraw/zinc/69/93/88/192699388.db2.gz ZMCVRHCJGVXHLF-UHFFFAOYSA-N 1 0 300.409 1.025 10 0 DDAERO CCC[NH2+]Cc1c(C)[nH]nc1S(=O)(=O)NC[C@@H](C)CC ZINC000089025726 192704714 /nfs/dbraw/zinc/70/47/14/192704714.db2.gz WRVYISBCYSSGIC-JTQLQIEISA-N 1 0 302.444 1.542 10 0 DDAERO C[NH2+]CC1CCN(S(=O)(=O)N2CCC(C)(C)CC2)CC1 ZINC000089027050 192706262 /nfs/dbraw/zinc/70/62/62/192706262.db2.gz FULFITZZOJIOFI-UHFFFAOYSA-N 1 0 303.472 1.285 10 0 DDAERO CCC[NH2+]CCS(=O)(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000089049916 192720250 /nfs/dbraw/zinc/72/02/50/192720250.db2.gz BIJLUOYYKMBZMP-JTQLQIEISA-N 1 0 302.362 1.590 10 0 DDAERO CNC(=O)[C@H]1C[NH2+]CCN1c1ncc(C(F)(F)F)cc1Cl ZINC000089087764 192723957 /nfs/dbraw/zinc/72/39/57/192723957.db2.gz HOFUESQVAQQGGP-SECBINFHSA-N 1 0 322.718 1.278 10 0 DDAERO CCNC(=O)[C@@H]1C[NH2+]CCN1Cc1ccc(Cl)cc1Cl ZINC000089088955 192724657 /nfs/dbraw/zinc/72/46/57/192724657.db2.gz CWUAUWWQYJKNDS-ZDUSSCGKSA-N 1 0 316.232 1.903 10 0 DDAERO CCC[NH2+]C[C@@H](Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 ZINC000089205607 192741953 /nfs/dbraw/zinc/74/19/53/192741953.db2.gz LERSVUHUBDHZHH-UONOGXRCSA-N 1 0 313.467 1.322 10 0 DDAERO CCc1nn(C)c(C[C@@H]([NH3+])[C@@H]2COCCO2)c1Br ZINC000089329224 192768523 /nfs/dbraw/zinc/76/85/23/192768523.db2.gz UAQICKQMGFXKHN-KCJUWKMLSA-N 1 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/nfs/dbraw/zinc/08/47/26/201084726.db2.gz ZGPOHKYXCXKQPG-WMLDXEAASA-N 1 0 317.433 1.682 10 0 DDAERO O[C@@H](C[NH2+]C[C@@H]1CCC=CO1)CN1CCc2ccccc2C1 ZINC000194202672 201197790 /nfs/dbraw/zinc/19/77/90/201197790.db2.gz OOOJDDPWVAQVBE-ROUUACIJSA-N 1 0 302.418 1.688 10 0 DDAERO CS(=O)(=O)[C@@H]1CSCCN1Cc1ccc(CC[NH3+])cc1 ZINC000090925388 192949235 /nfs/dbraw/zinc/94/92/35/192949235.db2.gz YTRVPFANFNSJFE-CQSZACIVSA-N 1 0 314.476 1.107 10 0 DDAERO CN(Cc1ccc([S@](C)=O)cc1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000246744986 202617078 /nfs/dbraw/zinc/61/70/78/202617078.db2.gz ZIBWQZGPXWQNBH-QTCYRWPVSA-N 1 0 308.447 1.900 10 0 DDAERO O=C([C@@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccoc2)C1)N1CCCCO1 ZINC000096064934 296075852 /nfs/dbraw/zinc/07/58/52/296075852.db2.gz XFVRKDLQJYGKCI-BZUAXINKSA-N 1 0 320.389 1.813 10 0 DDAERO C[C@H]1C[NH+](CCCn2cnc3c2ncnc3N)C[C@H](C)S1 ZINC000091332460 193041655 /nfs/dbraw/zinc/04/16/55/193041655.db2.gz NQYRRRZVMRFPTA-QWRGUYRKSA-N 1 0 306.439 1.624 10 0 DDAERO CCCc1c(C[NH2+]C(C)C)cnn1[C@@]1(C)CCS(=O)(=O)C1 ZINC000091337227 193043462 /nfs/dbraw/zinc/04/34/62/193043462.db2.gz MMXQIQWXKPKNFS-HNNXBMFYSA-N 1 0 313.467 1.867 10 0 DDAERO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccnc(Cl)c2)C1 ZINC000091391531 193049997 /nfs/dbraw/zinc/04/99/97/193049997.db2.gz SRYMOUTWZHSACB-JTQLQIEISA-N 1 0 303.815 1.450 10 0 DDAERO CC(C)C[NH2+]Cc1ccc(S(=O)(=O)NCC2CC(O)C2)o1 ZINC000091524724 193068663 /nfs/dbraw/zinc/06/86/63/193068663.db2.gz RFHLYWYMTKHWLE-UHFFFAOYSA-N 1 0 316.423 1.074 10 0 DDAERO CCc1nn(C)c(C[NH2+]CC2CC(O)C2)c1Br ZINC000091525838 193069643 /nfs/dbraw/zinc/06/96/43/193069643.db2.gz AJRZPVFNDAHKEB-UHFFFAOYSA-N 1 0 302.216 1.606 10 0 DDAERO CN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000091544893 193071333 /nfs/dbraw/zinc/07/13/33/193071333.db2.gz BBPAXRADNHNTAG-QWRGUYRKSA-N 1 0 311.407 1.003 10 0 DDAERO Cc1nn(C)c(C[C@H](O)C[NH2+]C(C)(C)C)c1Br ZINC000091469835 193060637 /nfs/dbraw/zinc/06/06/37/193060637.db2.gz DXRANBZGLFMXMW-VIFPVBQESA-N 1 0 304.232 1.783 10 0 DDAERO C[NH2+][C@@H](CCCS(C)(=O)=O)C1(N(C)C)CCC(C)CC1 ZINC000091649236 193085372 /nfs/dbraw/zinc/08/53/72/193085372.db2.gz JFGSRAILTGXYFE-SLTAFYQDSA-N 1 0 304.500 1.910 10 0 DDAERO CN1CCO[C@H](C[NH2+]Cc2ccc(O)c(Br)c2)C1 ZINC000091667712 193088017 /nfs/dbraw/zinc/08/80/17/193088017.db2.gz OWNVTILQOMQDDO-LLVKDONJSA-N 1 0 315.211 1.575 10 0 DDAERO CCc1nn(CC)c(C[C@H]([NH2+]C)[C@@H]2CN(C)CCO2)c1Cl ZINC000091718106 193097094 /nfs/dbraw/zinc/09/70/94/193097094.db2.gz NHBPIOZSOOUHMS-JSGCOSHPSA-N 1 0 314.861 1.580 10 0 DDAERO CN1CCO[C@H](COc2ccc(Br)cc2C[NH3+])C1 ZINC000092053991 193149441 /nfs/dbraw/zinc/14/94/41/193149441.db2.gz OMLTVWZAFYVZIE-LBPRGKRZSA-N 1 0 315.211 1.617 10 0 DDAERO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000092133146 193167055 /nfs/dbraw/zinc/16/70/55/193167055.db2.gz CQIJLDMVEPRHSD-MRVPVSSYSA-N 1 0 306.334 1.477 10 0 DDAERO Cc1ccccc1CN(C)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261932187 203155758 /nfs/dbraw/zinc/15/57/58/203155758.db2.gz LTSTUZADJRCMLK-SJORKVTESA-N 1 0 312.417 1.690 10 0 DDAERO Cc1ccc(CCNC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)cc1 ZINC000262204228 203228820 /nfs/dbraw/zinc/22/88/20/203228820.db2.gz IKFZTBWIYSJWCO-SJORKVTESA-N 1 0 312.417 1.390 10 0 DDAERO C[C@H](C[NH3+])C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000262319373 203259893 /nfs/dbraw/zinc/25/98/93/203259893.db2.gz COLCTHKPAYNWFV-RKDXNWHRSA-N 1 0 302.371 1.001 10 0 DDAERO O=S1(=O)CC[C@@H](C2(Cc3ccc(F)cc3F)C[NH2+]C2)C1 ZINC000093195403 193214561 /nfs/dbraw/zinc/21/45/61/193214561.db2.gz DLRRSWDDEWDFBH-LLVKDONJSA-N 1 0 301.358 1.532 10 0 DDAERO CN(CC(C)(C)C[NH3+])C(=O)CCCc1ccc2c(c1)CC(=O)N2 ZINC000262571435 203334610 /nfs/dbraw/zinc/33/46/10/203334610.db2.gz BBHWJCLBNQTAHO-UHFFFAOYSA-N 1 0 317.433 1.947 10 0 DDAERO C[C@@H](Cc1cccs1)N(C)C1(C[NH3+])CCS(=O)(=O)CC1 ZINC000093267365 193222960 /nfs/dbraw/zinc/22/29/60/193222960.db2.gz GMJYWBJJRZAMDO-LBPRGKRZSA-N 1 0 316.492 1.517 10 0 DDAERO CC[C@@H](C)CN(CC)S(=O)(=O)c1cnn(CCC[NH3+])c1 ZINC000093265922 193223238 /nfs/dbraw/zinc/22/32/38/193223238.db2.gz HTWHJFKNEAAGEF-GFCCVEGCSA-N 1 0 302.444 1.289 10 0 DDAERO C[C@H](Cc1cccs1)N(C)S(=O)(=O)c1n[nH]cc1C[NH3+] ZINC000093294572 193226973 /nfs/dbraw/zinc/22/69/73/193226973.db2.gz IZWXUMYFBAGJOJ-SECBINFHSA-N 1 0 314.436 1.182 10 0 DDAERO C[C@H](C[C@H]1CCCC[NH2+]1)Nc1ccc(CS(N)(=O)=O)cc1 ZINC000093485877 193258446 /nfs/dbraw/zinc/25/84/46/193258446.db2.gz RPYPXLTZYFSWQN-IUODEOHRSA-N 1 0 311.451 1.808 10 0 DDAERO CNS(=O)(=O)c1ccc(N[C@H](C)C[C@@H]2CCCC[NH2+]2)cc1 ZINC000093485831 193258848 /nfs/dbraw/zinc/25/88/48/193258848.db2.gz WFGKVDSOTXKNHP-OCCSQVGLSA-N 1 0 311.451 1.927 10 0 DDAERO C[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)C(=O)NC1CCCCC1 ZINC000093519600 193263179 /nfs/dbraw/zinc/26/31/79/193263179.db2.gz MLCCHGBZQKKXRF-LLVKDONJSA-N 1 0 304.456 1.237 10 0 DDAERO CC(C)[C@H]1C[NH2+][C@@](C)(C2CC2)CN1CC(C)(C)S(C)(=O)=O ZINC000093525877 193263940 /nfs/dbraw/zinc/26/39/40/193263940.db2.gz JONHKJBLVFKSKE-GDBMZVCRSA-N 1 0 316.511 1.908 10 0 DDAERO C[NH2+][C@]1(CO)CCC[C@H]1CCSc1nnc(N(C)C)s1 ZINC000093622017 193275219 /nfs/dbraw/zinc/27/52/19/193275219.db2.gz KVWVWEHHWXVMBK-GWCFXTLKSA-N 1 0 316.496 1.837 10 0 DDAERO Cc1nc(SCC[C@@H]2CCC[C@]2([NH2+]C(C)C)C(N)=O)n[nH]1 ZINC000093630056 193276819 /nfs/dbraw/zinc/27/68/19/193276819.db2.gz GYKIIIAINSWNSZ-SMDDNHRTSA-N 1 0 311.455 1.618 10 0 DDAERO CC1CCC(C[NH3+])(OC[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093695768 193290811 /nfs/dbraw/zinc/29/08/11/193290811.db2.gz BXLUIYMVIOWEOX-SLTAFYQDSA-N 1 0 318.483 1.582 10 0 DDAERO CC[NH2+][C@H](C)c1ccn(C[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000093698572 193292716 /nfs/dbraw/zinc/29/27/16/193292716.db2.gz MSANKNIVVXOPAJ-ZIAGYGMSSA-N 1 0 313.467 1.830 10 0 DDAERO Cc1noc(C)c1C[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697182 193292804 /nfs/dbraw/zinc/29/28/04/193292804.db2.gz DIBUMLRKPIWSLN-GFCCVEGCSA-N 1 0 301.412 1.053 10 0 DDAERO C[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ncccc1C ZINC000093700149 193294094 /nfs/dbraw/zinc/29/40/94/193294094.db2.gz RAAVSMUYSUOQDZ-UONOGXRCSA-N 1 0 311.451 1.712 10 0 DDAERO CCN[C@]1(C(=O)OCC)CCC[C@H]([N@H+](C)CCCOC)C1 ZINC000093753907 193300212 /nfs/dbraw/zinc/30/02/12/193300212.db2.gz XHVSWYHXRDOZFX-GOEBONIOSA-N 1 0 300.443 1.809 10 0 DDAERO Cc1cc(N)cc(C)c1S(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000093648992 193284933 /nfs/dbraw/zinc/28/49/33/193284933.db2.gz XLXOZOSSYQVBCW-AWEZNQCLSA-N 1 0 311.451 1.600 10 0 DDAERO C[NH2+][C@]1(C(N)=O)CC[C@@H](Sc2nnc3n2CCCCC3)C1 ZINC000093850563 193317593 /nfs/dbraw/zinc/31/75/93/193317593.db2.gz SWQVSPHXFQDKLK-QMTHXVAHSA-N 1 0 309.439 1.093 10 0 DDAERO C[NH2+][C@]1(C(N)=O)CC[C@H](Sc2ncnc3ccccc32)C1 ZINC000093851649 193318552 /nfs/dbraw/zinc/31/85/52/193318552.db2.gz NJZUTPIXDZIWNU-ZUZCIYMTSA-N 1 0 302.403 1.718 10 0 DDAERO CC[NH2+][C@@]1(C(N)=O)CC[C@@H](Sc2nc(C)c(C)c(C)n2)C1 ZINC000093854140 193320353 /nfs/dbraw/zinc/32/03/53/193320353.db2.gz HOPJVKHJQDCUOQ-DOMZBBRYSA-N 1 0 308.451 1.880 10 0 DDAERO CCN1CCO[C@@H](c2noc(-c3csc([C@@H](C)[NH3+])n3)n2)C1 ZINC000093897181 193325497 /nfs/dbraw/zinc/32/54/97/193325497.db2.gz UCGVHBHQQURLHJ-PSASIEDQSA-N 1 0 309.395 1.606 10 0 DDAERO CCc1nn(C)c(C[C@@H]([NH3+])[C@H]2CN(CC)CCO2)c1Cl ZINC000093913760 193327253 /nfs/dbraw/zinc/32/72/53/193327253.db2.gz INRSKHNWJLYGLJ-ZWNOBZJWSA-N 1 0 300.834 1.226 10 0 DDAERO CN(CC1CC[NH2+]CC1)S(=O)(=O)c1cccc(Cl)c1 ZINC000094023831 193339446 /nfs/dbraw/zinc/33/94/46/193339446.db2.gz LGMVTVFYVPCKQA-UHFFFAOYSA-N 1 0 302.827 1.960 10 0 DDAERO CC(C)[NH2+]Cc1cc(F)c(OCC(=O)NC(N)=O)c(F)c1 ZINC000094347441 193363137 /nfs/dbraw/zinc/36/31/37/193363137.db2.gz SAEYBFKBNVBWKI-UHFFFAOYSA-N 1 0 301.293 1.037 10 0 DDAERO Cc1c(OC[C@@H]2CCCC[N@H+]2C)cc(N)cc1S(N)(=O)=O ZINC000094361170 193365830 /nfs/dbraw/zinc/36/58/30/193365830.db2.gz YPJLRTTULHPWHT-LBPRGKRZSA-N 1 0 313.423 1.088 10 0 DDAERO Cc1noc(C)c1S(=O)(=O)N(CC1CC[NH2+]CC1)C1CC1 ZINC000094024231 193340194 /nfs/dbraw/zinc/34/01/94/193340194.db2.gz VNJJBRHDAQSQNX-UHFFFAOYSA-N 1 0 313.423 1.444 10 0 DDAERO CC[C@](C)([NH3+])C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000094233490 193352793 /nfs/dbraw/zinc/35/27/93/193352793.db2.gz OZPNSNSNLOVWNR-LBPRGKRZSA-N 1 0 319.814 1.777 10 0 DDAERO CC(C)([C@H](O)[C@H]1CCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC000094641328 193388708 /nfs/dbraw/zinc/38/87/08/193388708.db2.gz CHUHCWKDCPYPLX-MELADBBJSA-N 1 0 303.468 1.825 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN(Cc2ccc(O)cc2)CC1 ZINC000094680145 193391486 /nfs/dbraw/zinc/39/14/86/193391486.db2.gz KPWAMLXEXULBDG-OAHLLOKOSA-N 1 0 307.463 1.965 10 0 DDAERO O=S(=O)(CC[C@@H]1CCCC[NH2+]1)N1CCN2CCCC[C@@H]2C1 ZINC000094440159 193370211 /nfs/dbraw/zinc/37/02/11/193370211.db2.gz FXIUIVUJBLHVFN-LSDHHAIUSA-N 1 0 315.483 1.019 10 0 DDAERO Cc1cc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)ccc1N ZINC000094457312 193370664 /nfs/dbraw/zinc/37/06/64/193370664.db2.gz JZQJUVHGQKPILR-QWHCGFSZSA-N 1 0 309.435 1.434 10 0 DDAERO CCN(CCC[NH2+][C@H]1CSCCC1(C)C)S(C)(=O)=O ZINC000094483390 193372708 /nfs/dbraw/zinc/37/27/08/193372708.db2.gz WAWKVBXWPZYNMY-LBPRGKRZSA-N 1 0 308.513 1.779 10 0 DDAERO [NH3+][C@H](c1cccc(OC(F)(F)F)c1)[C@@H]1CN2CCN1CC2 ZINC000094508325 193375291 /nfs/dbraw/zinc/37/52/91/193375291.db2.gz IGHDETCFVTWKOD-QWHCGFSZSA-N 1 0 301.312 1.585 10 0 DDAERO CC(C)C[C@@H](C[NH3+])C(=O)Nc1cnc(Br)cn1 ZINC000094700800 193392685 /nfs/dbraw/zinc/39/26/85/193392685.db2.gz UKAYGQBMOUKVCW-QMMMGPOBSA-N 1 0 301.188 1.799 10 0 DDAERO COc1cc(NC(=O)[C@H]2CC[C@@H](C[NH3+])O2)c(OC)cc1Cl ZINC000094563019 193379945 /nfs/dbraw/zinc/37/99/45/193379945.db2.gz WGLLKHCARWLUGQ-GZMMTYOYSA-N 1 0 314.769 1.802 10 0 DDAERO CN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1CC[C@@H](C[NH3+])O1 ZINC000094567678 193380719 /nfs/dbraw/zinc/38/07/19/193380719.db2.gz ZEWUUEZVIODUDL-ZANVPECISA-N 1 0 300.761 1.944 10 0 DDAERO CN(CC[NH+](C)C)C(=O)c1cccc(C(F)(F)F)c1NN ZINC000094599598 193383258 /nfs/dbraw/zinc/38/32/58/193383258.db2.gz YSSRNKXMURTXNG-UHFFFAOYSA-N 1 0 304.316 1.625 10 0 DDAERO COC[C@@H]([NH3+])CN(C)C(=O)c1cccc(C(F)(F)F)c1F ZINC000094600364 193383930 /nfs/dbraw/zinc/38/39/30/193383930.db2.gz UJJIIZPCNVKXHQ-QMMMGPOBSA-N 1 0 308.275 1.890 10 0 DDAERO C[C@]1(CNS(=O)(=O)c2ccc(F)c(C[NH3+])c2)CCCO1 ZINC000094801030 193399055 /nfs/dbraw/zinc/39/90/55/193399055.db2.gz VCBOYJXPVMRTET-CYBMUJFWSA-N 1 0 302.371 1.132 10 0 DDAERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC[C@]2(C)CCCO2)cc1 ZINC000094805067 193399224 /nfs/dbraw/zinc/39/92/24/193399224.db2.gz RDDJVUUFEIIWAS-WFASDCNBSA-N 1 0 312.435 1.814 10 0 DDAERO Cc1nc(Cl)ccc1S(=O)(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000288336718 220092627 /nfs/dbraw/zinc/09/26/27/220092627.db2.gz XMNTXUCYYDPMQG-ONGXEEELSA-N 1 0 317.842 1.614 10 0 DDAERO Cc1nc([C@@H](NN)c2c(Cl)cnn2CC[NH+](C)C)cs1 ZINC000097783652 193757474 /nfs/dbraw/zinc/75/74/74/193757474.db2.gz HPFYTMJIQAODFY-LLVKDONJSA-N 1 0 314.846 1.416 10 0 DDAERO COc1ccc(N)cc1S(=O)(=O)NCC1([NH+](C)C)CCC1 ZINC000097926022 193767728 /nfs/dbraw/zinc/76/77/28/193767728.db2.gz KMNHHLCOAFQPFR-UHFFFAOYSA-N 1 0 313.423 1.040 10 0 DDAERO COC(=O)C[C@H]([NH3+])c1cc2c(c(Br)c1)OCO2 ZINC000036897265 182851648 /nfs/dbraw/zinc/85/16/48/182851648.db2.gz AWNFDIXPDMFHKW-QMMMGPOBSA-N 1 0 302.124 1.741 10 0 DDAERO COC(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038050009 182981576 /nfs/dbraw/zinc/98/15/76/182981576.db2.gz UHUQPGXYNNZCMI-NWDGAFQWSA-N 1 0 312.391 1.021 10 0 DDAERO CCNC(=O)C[NH+]1CCC(Cn2cnc3ccccc32)CC1 ZINC000038535477 183001416 /nfs/dbraw/zinc/00/14/16/183001416.db2.gz PMRPGNKWFWIUSF-UHFFFAOYSA-N 1 0 300.406 1.884 10 0 DDAERO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CCC[C@@](F)(CO)C1 ZINC000333697261 249074586 /nfs/dbraw/zinc/07/45/86/249074586.db2.gz QJRUYBWDKZPPCT-UXLLHSPISA-N 1 0 321.396 1.248 10 0 DDAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2cc(Br)ccc2F)C1 ZINC000040632033 183112010 /nfs/dbraw/zinc/11/20/10/183112010.db2.gz NIIZCBHPUMCCAE-KWQFWETISA-N 1 0 317.158 1.904 10 0 DDAERO COc1ccc(CCNc2nc[nH+]c(NN)c2N)cc1OC ZINC000040683896 183117096 /nfs/dbraw/zinc/11/70/96/183117096.db2.gz CCCYRKPAEBFPHL-UHFFFAOYSA-N 1 0 304.354 1.016 10 0 DDAERO Cc1ccc([C@H](C)N(C)S(=O)(=O)N2CC[NH2+]CC2)s1 ZINC000040860823 183144081 /nfs/dbraw/zinc/14/40/81/183144081.db2.gz WBGMSGOJRGOSQL-NSHDSACASA-N 1 0 303.453 1.199 10 0 DDAERO CC(=O)Nc1ccc(Nc2nc[nH+]c(NN(C)C)c2N)cc1 ZINC000040760081 183130517 /nfs/dbraw/zinc/13/05/17/183130517.db2.gz WOZZIXCOADVNDW-UHFFFAOYSA-N 1 0 301.354 1.649 10 0 DDAERO Cc1c(N)cccc1NC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000041023447 183156422 /nfs/dbraw/zinc/15/64/22/183156422.db2.gz YVCJMQNPLVXQGI-UHFFFAOYSA-N 1 0 304.379 1.262 10 0 DDAERO O=C(NCc1cc(Br)ccc1F)[C@@H]1CCC[NH2+]1 ZINC000041064977 183161936 /nfs/dbraw/zinc/16/19/36/183161936.db2.gz OHRYKSTYIJAHTA-NSHDSACASA-N 1 0 301.159 1.956 10 0 DDAERO CC(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2cc(N)cs2)C1 ZINC000041068612 183162703 /nfs/dbraw/zinc/16/27/03/183162703.db2.gz FOMQJLKAILPQGU-SNVBAGLBSA-N 1 0 303.453 1.339 10 0 DDAERO C[C@H]([NH3+])c1cccc(NC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000041716925 183218532 /nfs/dbraw/zinc/21/85/32/183218532.db2.gz 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/nfs/dbraw/zinc/26/73/88/194267388.db2.gz ITWMSWCYMROXOX-HNNXBMFYSA-N 1 0 306.479 1.697 10 0 DDAERO Cc1nnc(SCCCC[C@@](C)([NH2+]C(C)C)C(N)=O)n1C ZINC000110034444 194305380 /nfs/dbraw/zinc/30/53/80/194305380.db2.gz HFMBNSGGSBXQMI-CQSZACIVSA-N 1 0 313.471 1.628 10 0 DDAERO COCC[C@H]([NH3+])C(=O)Nc1cc(C(=O)OC)c(F)cc1F ZINC000052792719 183873639 /nfs/dbraw/zinc/87/36/39/183873639.db2.gz ZGPFRKLYPSOKJP-JTQLQIEISA-N 1 0 302.277 1.054 10 0 DDAERO CCC[NH2+]C[C@H](CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000052951060 183881650 /nfs/dbraw/zinc/88/16/50/183881650.db2.gz OJINJXYMIBRCSC-GJZGRUSLSA-N 1 0 303.468 1.854 10 0 DDAERO CCCN(C1=NS(=O)(=O)c2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000110948210 194373371 /nfs/dbraw/zinc/37/33/71/194373371.db2.gz MIGVCXAJCRAXCF-GFCCVEGCSA-N 1 0 307.419 1.600 10 0 DDAERO C[NH2+]Cc1sc(N2CCS(=O)CC2)nc1C(C)(C)C ZINC000054999546 183957212 /nfs/dbraw/zinc/95/72/12/183957212.db2.gz SKEVZYVQKALOAC-UHFFFAOYSA-N 1 0 301.481 1.729 10 0 DDAERO CN(CCC[NH+](C)C)CCOc1ccc(CC(N)=S)cc1 ZINC000111137500 194393939 /nfs/dbraw/zinc/39/39/39/194393939.db2.gz SMQRXWPYBAIASK-UHFFFAOYSA-N 1 0 309.479 1.778 10 0 DDAERO COC(=O)[C@](C)(CC[N@H+](C)C[C@@H]1CCCOC1)NC(C)C ZINC000111169711 194398647 /nfs/dbraw/zinc/39/86/47/194398647.db2.gz DNPNTEGDYGCJQH-HOCLYGCPSA-N 1 0 300.443 1.665 10 0 DDAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC000061270837 184167293 /nfs/dbraw/zinc/16/72/93/184167293.db2.gz JMZAQVPPISBSPW-NSHDSACASA-N 1 0 313.423 1.230 10 0 DDAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C)c1cccc(OC)c1 ZINC000061592617 184175492 /nfs/dbraw/zinc/17/54/92/184175492.db2.gz HUBBSLNKYSILRD-RYUDHWBXSA-N 1 0 308.407 1.688 10 0 DDAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C1CC1)c1ccccn1 ZINC000061594708 184176008 /nfs/dbraw/zinc/17/60/08/184176008.db2.gz JXIQIOCSFFZRLO-CMPLNLGQSA-N 1 0 305.407 1.872 10 0 DDAERO NC(=S)c1ccccc1NC(=O)CC[N@@H+]1CCCOCC1 ZINC000061918562 184195078 /nfs/dbraw/zinc/19/50/78/184195078.db2.gz VKHVMRIOBGHHIY-UHFFFAOYSA-N 1 0 307.419 1.372 10 0 DDAERO NC(=[NH2+])c1ncccc1CN1CCN(CC(F)(F)F)CC1 ZINC000061941524 184197245 /nfs/dbraw/zinc/19/72/45/184197245.db2.gz VSMWQYPVKBLOFE-UHFFFAOYSA-N 1 0 301.316 1.046 10 0 DDAERO C[C@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000061950888 184198532 /nfs/dbraw/zinc/19/85/32/184198532.db2.gz GGAULHWVRHBZMO-TUAOUCFPSA-N 1 0 307.360 1.456 10 0 DDAERO C[C@H](c1ccccc1F)N(C)S(=O)(=O)C1CC[NH2+]CC1 ZINC000062027855 184202185 /nfs/dbraw/zinc/20/21/85/184202185.db2.gz QVEDCBDJBMMRMF-LLVKDONJSA-N 1 0 300.399 1.900 10 0 DDAERO Cc1ccc(CNS(=O)(=O)Cc2ccc(C[NH3+])cc2)cn1 ZINC000062054363 184203327 /nfs/dbraw/zinc/20/33/27/184203327.db2.gz XGKQVDIDOLINPS-UHFFFAOYSA-N 1 0 305.403 1.468 10 0 DDAERO CC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@H](N2CCN(S(C)(=O)=O)CC2)C1 ZINC000062083693 184204940 /nfs/dbraw/zinc/20/49/40/184204940.db2.gz QTVQEHJEQGDGTI-HZSPNIEDSA-N 1 0 317.499 1.106 10 0 DDAERO CC[C@@H]([NH3+])[C@H](c1ccsc1)N1CCN(S(C)(=O)=O)CC1 ZINC000062081604 184205051 /nfs/dbraw/zinc/20/50/51/184205051.db2.gz RMLDBCLLLZESET-OLZOCXBDSA-N 1 0 317.480 1.104 10 0 DDAERO CC[NH2+]C[C@@H](Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000062337375 184230904 /nfs/dbraw/zinc/23/09/04/184230904.db2.gz AGPZEYSBUPJOLE-VXGBXAGGSA-N 1 0 302.465 1.654 10 0 DDAERO C[C@H](COc1ccc(C[C@H](C)[NH3+])cc1Br)C(N)=O ZINC000062704221 184248759 /nfs/dbraw/zinc/24/87/59/184248759.db2.gz PTJOTEVDQHOPJN-BDAKNGLRSA-N 1 0 315.211 1.839 10 0 DDAERO COCC[NH2+]Cc1c(N2CCO[C@@H](C)C2)nc2sccn12 ZINC000062734438 184251059 /nfs/dbraw/zinc/25/10/59/184251059.db2.gz ZPBUJNFOCDKCGS-NSHDSACASA-N 1 0 310.423 1.357 10 0 DDAERO O=c1ccc(Br)cn1CC[NH2+]C1CCOCC1 ZINC000062767936 184252802 /nfs/dbraw/zinc/25/28/02/184252802.db2.gz LHKZMTYSMNLUHH-UHFFFAOYSA-N 1 0 301.184 1.379 10 0 DDAERO C[C@]1(C(=O)Nc2ccc(Sc3nc[nH]n3)cc2)CC[NH2+]C1 ZINC000062893519 184259046 /nfs/dbraw/zinc/25/90/46/184259046.db2.gz NVVSOSITPDJYGG-AWEZNQCLSA-N 1 0 303.391 1.894 10 0 DDAERO CC[C@@H](Oc1ccc(CC[NH3+])cc1Br)C(N)=O ZINC000062703712 184247938 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ZINC000063132143 184272865 /nfs/dbraw/zinc/27/28/65/184272865.db2.gz MEODLKWRSDDVRP-UHFFFAOYSA-N 1 0 303.449 1.808 10 0 DDAERO CCOCCS(=O)(=O)N(CC)C1(C[NH3+])CCC(C)CC1 ZINC000063153357 184274343 /nfs/dbraw/zinc/27/43/43/184274343.db2.gz ZJLMJBJVLDBUNO-UHFFFAOYSA-N 1 0 306.472 1.582 10 0 DDAERO CCOC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000063175323 184276260 /nfs/dbraw/zinc/27/62/60/184276260.db2.gz VUODYAMJWZVEFY-QWHCGFSZSA-N 1 0 312.391 1.021 10 0 DDAERO CC[NH+](CC)CC(=O)Nc1ccc(C(=O)NCCCOC)cc1 ZINC000066212128 184397143 /nfs/dbraw/zinc/39/71/43/184397143.db2.gz ORMROUSPYFKHGJ-UHFFFAOYSA-N 1 0 321.421 1.733 10 0 DDAERO Cc1cnn(CCNC(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000118053931 194865017 /nfs/dbraw/zinc/86/50/17/194865017.db2.gz SBHYLWUIJACGLO-UHFFFAOYSA-N 1 0 307.442 1.755 10 0 DDAERO Cc1cnc([C@@H](C)NC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)o1 ZINC000638281968 422802626 /nfs/dbraw/zinc/80/26/26/422802626.db2.gz WDGRXKLNVZXHRJ-HIFRSBDPSA-N 1 0 316.405 1.620 10 0 DDAERO 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407647112 /nfs/dbraw/zinc/64/71/12/407647112.db2.gz KRQLHJRGUPFMMK-UHFFFAOYSA-N 1 0 317.389 1.507 10 0 DDAERO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000186503918 407684958 /nfs/dbraw/zinc/68/49/58/407684958.db2.gz BBLMUAGUQSYWOC-QWHCGFSZSA-N 1 0 322.453 1.027 10 0 DDAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NS(=O)(=O)c1cnc2n1CCC2 ZINC000261988552 407703828 /nfs/dbraw/zinc/70/38/28/407703828.db2.gz DOVMNSQBHRPSFZ-QOARYFPJSA-N 1 0 324.450 1.014 10 0 DDAERO NC(=O)c1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000171564001 407704576 /nfs/dbraw/zinc/70/45/76/407704576.db2.gz DHXVWJCXAIIXSA-AWEZNQCLSA-N 1 0 302.378 1.488 10 0 DDAERO C[NH2+]C[C@@H]1CCCN(c2ncc(Br)c(OC)n2)C1 ZINC000234395611 407708607 /nfs/dbraw/zinc/70/86/07/407708607.db2.gz OOQFVOMOAJCYJT-VIFPVBQESA-N 1 0 315.215 1.684 10 0 DDAERO CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cncn2C)ncn1 ZINC000171627075 407723986 /nfs/dbraw/zinc/72/39/86/407723986.db2.gz JVDPXYMOBDMFRC-GFCCVEGCSA-N 1 0 301.398 1.010 10 0 DDAERO CCO[C@H]1C[C@H]([NH2+]CCCNC(=O)C(C)C)C12CCOCC2 ZINC000186434160 407664934 /nfs/dbraw/zinc/66/49/34/407664934.db2.gz OCNKPPCTRYOZER-GJZGRUSLSA-N 1 0 312.454 1.713 10 0 DDAERO CN1CCO[C@@H](CNC(=O)Nc2cc(F)cc(Cl)c2)C1 ZINC000153026623 407736869 /nfs/dbraw/zinc/73/68/69/407736869.db2.gz WZPNNXLNUUMWHV-LBPRGKRZSA-N 1 0 301.749 1.931 10 0 DDAERO CC(C)[C@H](SCc1ccccc1)C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262138883 407751326 /nfs/dbraw/zinc/75/13/26/407751326.db2.gz HAOWGWYHPKJDKC-OAGGEKHMSA-N 1 0 322.474 1.641 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)CCn2cc(C)cn2)C[C@H]1CC ZINC000116769147 407771760 /nfs/dbraw/zinc/77/17/60/407771760.db2.gz VTLFGCNPZTUMSQ-MRXNPFEDSA-N 1 0 322.453 1.541 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000262233323 407772380 /nfs/dbraw/zinc/77/23/80/407772380.db2.gz HBAHWWXZWGBWPL-HNNXBMFYSA-N 1 0 308.378 1.404 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)Cc2ccc(C)nc2)C[C@@H]1CC ZINC000116767850 407773277 /nfs/dbraw/zinc/77/32/77/407773277.db2.gz 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ZINC000706737801 699244377 /nfs/dbraw/zinc/24/43/77/699244377.db2.gz AFFZTPOWKJILPO-HRCADAONSA-N 1 0 320.389 1.137 10 0 DDAERO [NH3+]C[C@H]1C[C@H](C(=O)NCc2ccccc2Br)CO1 ZINC000713799001 699266969 /nfs/dbraw/zinc/26/69/69/699266969.db2.gz YSRATROILHWCLB-WDEREUQCSA-N 1 0 313.195 1.429 10 0 DDAERO C[C@@H](C[NH2+]C[C@H]1COC(C)(C)O1)N(C)C(=O)OC(C)(C)C ZINC000715151140 699274599 /nfs/dbraw/zinc/27/45/99/699274599.db2.gz PMHGKIARAUUAAL-RYUDHWBXSA-N 1 0 302.415 1.983 10 0 DDAERO C[NH+](C)[C@@H]1CN(Cc2cc3cccnc3o2)C[C@@H]1n1ccnn1 ZINC000862497635 705724861 /nfs/dbraw/zinc/72/48/61/705724861.db2.gz JDIGMCBHUAXHBP-CABCVRRESA-N 1 0 312.377 1.406 10 0 DDAERO CCn1cnnc1[C@H]1CN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CCO1 ZINC000897471607 708343176 /nfs/dbraw/zinc/34/31/76/708343176.db2.gz PITODQOJTFLQPE-CHWSQXEVSA-N 1 0 321.425 1.071 10 0 DDAERO CCn1nnc(C)c1C[NH2+]C[C@@H]1CCCO[C@H]1c1cnn(C)c1 ZINC000886081994 708694632 /nfs/dbraw/zinc/69/46/32/708694632.db2.gz QGOOVNNKZSDIIF-XJKSGUPXSA-N 1 0 318.425 1.597 10 0 DDAERO CCn1nccc1[C@H]1NC(=O)CC[C@H]1[NH2+]CC1CCOCC1 ZINC000886088503 708695959 /nfs/dbraw/zinc/69/59/59/708695959.db2.gz HTGHVUTUDCJONA-CJNGLKHVSA-N 1 0 306.410 1.239 10 0 DDAERO C[NH+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3ccc[nH]3)C2)ccn1 ZINC000886095279 708697181 /nfs/dbraw/zinc/69/71/81/708697181.db2.gz QFPKEHDXYRPHOL-OAHLLOKOSA-N 1 0 314.389 1.765 10 0 DDAERO COCCn1cc([C@H]2OCC[C@@H]2[NH2+]Cc2cccnc2C)cn1 ZINC000888076020 709209288 /nfs/dbraw/zinc/20/92/88/709209288.db2.gz OTZGXZRPHATKHM-DLBZAZTESA-N 1 0 316.405 1.853 10 0 DDAERO C[N@@H+]1CCC[C@@H]1[C@](C)(O)c1ccc(OC[C@@H]2CNC(=O)C2)cc1 ZINC000902443384 710756097 /nfs/dbraw/zinc/75/60/97/710756097.db2.gz FUYBDOAYKXMBOU-FDQGKXFDSA-N 1 0 318.417 1.503 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C/c2cccc(O)c2)C[C@@H]1C ZINC000248402280 282081563 /nfs/dbraw/zinc/08/15/63/282081563.db2.gz NAIOQAIEDUWLOQ-AGKLADILSA-N 1 0 304.390 1.319 10 0 DDAERO O=C(CC[NH+]1CCCC1)Nc1ccccc1N1CCOCC1 ZINC000074693699 185010031 /nfs/dbraw/zinc/01/00/31/185010031.db2.gz QOXXIXPHYZQKFK-UHFFFAOYSA-N 1 0 303.406 1.948 10 0 DDAERO CCC[NH2+][C@H]1CCOC[C@@H]1Sc1n[nH]c(=O)n1C(C)C ZINC000081879586 192334310 /nfs/dbraw/zinc/33/43/10/192334310.db2.gz PQQXISASTJOUOC-QWRGUYRKSA-N 1 0 300.428 1.402 10 0 DDAERO CCC[NH2+][C@@H]1CCC2(C[C@@H]1Sc1n[nH]c(C)n1)OCCO2 ZINC000081890508 192334339 /nfs/dbraw/zinc/33/43/39/192334339.db2.gz YTVMGBPAPFSYAT-NEPJUHHUSA-N 1 0 312.439 1.869 10 0 DDAERO CC[NH2+][C@@H]1CCC[C@H]1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000081935437 192343303 /nfs/dbraw/zinc/34/33/03/192343303.db2.gz XYVAGQHTDRUOBK-IUODEOHRSA-N 1 0 311.403 1.762 10 0 DDAERO COc1ccc(CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)cn1 ZINC000079052282 185149881 /nfs/dbraw/zinc/14/98/81/185149881.db2.gz RXMLWLQLJSYUAM-CQSZACIVSA-N 1 0 308.426 1.866 10 0 DDAERO C[C@H](CC[NH3+])CCC(=O)Nc1ccc(CS(N)(=O)=O)cc1 ZINC000079117762 185159447 /nfs/dbraw/zinc/15/94/47/185159447.db2.gz REAHVWRZJDSHHX-NSHDSACASA-N 1 0 313.423 1.179 10 0 DDAERO CC(=O)N[C@@H]1CCCN(C(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000079121897 185159663 /nfs/dbraw/zinc/15/96/63/185159663.db2.gz DCDSJAIVCRCMKD-OAHLLOKOSA-N 1 0 312.458 1.415 10 0 DDAERO CC(C)(C)[C@@H](CC[NH3+])CCC(=O)NC1CCS(=O)(=O)CC1 ZINC000079290429 185163581 /nfs/dbraw/zinc/16/35/81/185163581.db2.gz HTVRZMCUNDYNFR-GFCCVEGCSA-N 1 0 318.483 1.471 10 0 DDAERO C[N@@H+]1CCC[C@@H]1CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000082311174 185174868 /nfs/dbraw/zinc/17/48/68/185174868.db2.gz IHADVEBKYXRTTL-QGZVFWFLSA-N 1 0 301.434 1.815 10 0 DDAERO O=C(Cc1cc(Br)ccc1F)N1CC[NH2+]CC1 ZINC000083256424 185221507 /nfs/dbraw/zinc/22/15/07/185221507.db2.gz MPUHKUXETUQBIS-UHFFFAOYSA-N 1 0 301.159 1.563 10 0 DDAERO CCOC(=O)c1ccc(S(=O)(=O)N[C@H](C[NH3+])C(C)C)cc1 ZINC000087404865 185224029 /nfs/dbraw/zinc/22/40/29/185224029.db2.gz VPUDQIHOTDUXRS-CYBMUJFWSA-N 1 0 314.407 1.125 10 0 DDAERO Cc1cc([C@H]([NH3+])c2ccc3[nH]c(=O)c(=O)[nH]c3c2)sc1C ZINC000087565885 185228498 /nfs/dbraw/zinc/22/84/98/185228498.db2.gz HCZWGAKWJMQNKV-CYBMUJFWSA-N 1 0 301.371 1.943 10 0 DDAERO Cc1ccc(Br)cc1C(=O)NC[C@@H]([NH3+])[C@@H](C)O ZINC000087744272 185231190 /nfs/dbraw/zinc/23/11/90/185231190.db2.gz MBQJNYPCKSOWLR-LDYMZIIASA-N 1 0 301.184 1.195 10 0 DDAERO COC(=O)CCS(=O)(=O)[C@@H](C(C)C)[C@@H]([NH3+])c1ccccc1 ZINC000081974483 192347516 /nfs/dbraw/zinc/34/75/16/192347516.db2.gz NYOHOWKYZMPPAX-GJZGRUSLSA-N 1 0 313.419 1.689 10 0 DDAERO CCC[NH2+][C@H](c1ccccc1)[C@@H](C)S(=O)(=O)CC(=O)OC ZINC000081975729 192347636 /nfs/dbraw/zinc/34/76/36/192347636.db2.gz QDZHSLSWJULRHK-DOMZBBRYSA-N 1 0 313.419 1.704 10 0 DDAERO CCC[NH2+][C@@H]1CCC(C)(C)C[C@H]1S(=O)(=O)CCC(=O)OC ZINC000081974787 192347722 /nfs/dbraw/zinc/34/77/22/192347722.db2.gz AYMDBGIIWVAAOU-CHWSQXEVSA-N 1 0 319.467 1.911 10 0 DDAERO Cc1ccc2[nH]c(SC[C@H](O)CN3CC[NH2+]CC3)nc2c1 ZINC000088062106 185238547 /nfs/dbraw/zinc/23/85/47/185238547.db2.gz QQTLRZWYDOKDNF-GFCCVEGCSA-N 1 0 306.435 1.230 10 0 DDAERO [NH3+][C@@]1(C(=O)Nc2ccc(Br)c(F)c2)CCOC1 ZINC000088083777 185239246 /nfs/dbraw/zinc/23/92/46/185239246.db2.gz BQEGIXUYJGRKKX-NSHDSACASA-N 1 0 303.131 1.645 10 0 DDAERO COC(=O)CS(=O)(=O)C[C@H]([NH3+])c1ccc2ccccc2c1 ZINC000081975560 192347925 /nfs/dbraw/zinc/34/79/25/192347925.db2.gz BXBNOMBEPBYJDP-AWEZNQCLSA-N 1 0 307.371 1.427 10 0 DDAERO Cc1nn(C)c(C[S@](=O)C[C@H](C)C[NH3+])c1Br ZINC000088089964 185239698 /nfs/dbraw/zinc/23/96/98/185239698.db2.gz SRXBSWDJJXATJM-QZTNRIJFSA-N 1 0 308.245 1.335 10 0 DDAERO C[NH2+][C@@H]1c2ccccc2CC[C@@H]1S(=O)(=O)CCC(=O)OC ZINC000081974581 192348370 /nfs/dbraw/zinc/34/83/70/192348370.db2.gz SZHYXOQRXFRFIM-DZGCQCFKSA-N 1 0 311.403 1.240 10 0 DDAERO CCOc1ccc(NS(=O)(=O)[C@@H](C)C[NH3+])cc1OCC ZINC000088472134 185252331 /nfs/dbraw/zinc/25/23/31/185252331.db2.gz BBPKCXNHWFEXAR-JTQLQIEISA-N 1 0 302.396 1.573 10 0 DDAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H](CC)COC)o1 ZINC000088551305 185257396 /nfs/dbraw/zinc/25/73/96/185257396.db2.gz HJJICXHPNOPGBS-NSHDSACASA-N 1 0 304.412 1.483 10 0 DDAERO CC[NH+](CC)C[C@H](C)NCc1ccc(S(=O)(=O)NC)o1 ZINC000088540603 185255828 /nfs/dbraw/zinc/25/58/28/185255828.db2.gz IPWWZUXUQFGNFM-NSHDSACASA-N 1 0 303.428 1.008 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)N[C@@H]2CCc3ccccc3C2)o1 ZINC000088542485 185256146 /nfs/dbraw/zinc/25/61/46/185256146.db2.gz ZDZHASLYJSSXEC-CYBMUJFWSA-N 1 0 306.387 1.574 10 0 DDAERO COCC[C@@H](C)NS(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000088551406 185257543 /nfs/dbraw/zinc/25/75/43/185257543.db2.gz QLWWSRNDXGDYIK-GFCCVEGCSA-N 1 0 318.439 1.729 10 0 DDAERO C[NH2+]Cc1ncnn1CCOc1cccc(Br)c1 ZINC000088628673 185260353 /nfs/dbraw/zinc/26/03/53/185260353.db2.gz WWIZRERJEREXOP-UHFFFAOYSA-N 1 0 311.183 1.839 10 0 DDAERO CC[N@@H+]1CC[C@H](CNC(=O)c2sc3nccnc3c2N)C1 ZINC000088640944 185260648 /nfs/dbraw/zinc/26/06/48/185260648.db2.gz UXTBJHMZSSJBIK-SECBINFHSA-N 1 0 305.407 1.345 10 0 DDAERO O=S(=O)(NCC[NH+]1CCCC1)c1cnc2ccc(F)cc2c1 ZINC000329219577 231473808 /nfs/dbraw/zinc/47/38/08/231473808.db2.gz SPNRGHOHWKWEDU-UHFFFAOYSA-N 1 0 323.393 1.748 10 0 DDAERO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248156677 539271625 /nfs/dbraw/zinc/27/16/25/539271625.db2.gz RKTDJGNODDHDBC-RDJZCZTQSA-N 1 0 320.437 1.006 10 0 DDAERO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1cccc(S(N)(=O)=O)c1 ZINC000252873294 539274889 /nfs/dbraw/zinc/27/48/89/539274889.db2.gz PKBHAFGQZWGBRE-NILFDRSVSA-N 1 0 312.435 1.678 10 0 DDAERO Cc1oc2nc[nH]c(=O)c2c1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000253552281 539274995 /nfs/dbraw/zinc/27/49/95/539274995.db2.gz ZXOIFBJCTNATQU-KOLCDFICSA-N 1 0 318.377 1.695 10 0 DDAERO Cc1cccc(S(=O)(=O)[C@@H]2CC3(CC[C@H]2[NH3+])OCCO3)c1 ZINC000081987054 192350717 /nfs/dbraw/zinc/35/07/17/192350717.db2.gz FXDFTEMESWRCEH-ZIAGYGMSSA-N 1 0 311.403 1.392 10 0 DDAERO Cc1cncc(/C=C\C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1 ZINC000254952605 282220171 /nfs/dbraw/zinc/22/01/71/282220171.db2.gz UHGZWQXOJFFWJC-NWRQEBOHSA-N 1 0 303.406 1.317 10 0 DDAERO C[NH2+][C@H]1CCC2(C[C@@H]1S(=O)(=O)CC1CCCC1)OCCO2 ZINC000081991066 192352075 /nfs/dbraw/zinc/35/20/75/192352075.db2.gz HCVOCLVNTHUJRW-KBPBESRZSA-N 1 0 317.451 1.475 10 0 DDAERO Cc1ccc(C)c([C@@H]([NH3+])C[S@@](=O)CCS(C)(=O)=O)c1 ZINC000081992391 192352396 /nfs/dbraw/zinc/35/23/96/192352396.db2.gz KJPVQQKOBIMBCK-SCLBCKFNSA-N 1 0 303.449 1.097 10 0 DDAERO CCC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1S(=O)(=O)CC(=O)OC ZINC000082009970 192353419 /nfs/dbraw/zinc/35/34/19/192353419.db2.gz DPCPQNUKSVLXMS-RDBSUJKOSA-N 1 0 319.467 1.767 10 0 DDAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NS(=O)(=O)c1cccc(Cl)c1C ZINC000090313173 185290724 /nfs/dbraw/zinc/29/07/24/185290724.db2.gz PLWDIORKGADBMO-LOWVWBTDSA-N 1 0 318.826 1.431 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1S(=O)(=O)c1cc(F)ccc1F ZINC000090336824 185291742 /nfs/dbraw/zinc/29/17/42/185291742.db2.gz DZACFGXHUXBIOR-GXSJLCMTSA-N 1 0 316.373 1.583 10 0 DDAERO Cc1ccc(C)c(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@@H]3C2(C)C)c1 ZINC000090337092 185291896 /nfs/dbraw/zinc/29/18/96/185291896.db2.gz ZCQWFGKMPUDMDG-KBPBESRZSA-N 1 0 308.447 1.922 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000090432819 185296047 /nfs/dbraw/zinc/29/60/47/185296047.db2.gz NEUJELYPSKFRNP-JQWIXIFHSA-N 1 0 312.753 1.300 10 0 DDAERO C[C@@]1(C(=O)NCc2cc(Br)cs2)COC[C@@H]1[NH3+] ZINC000090605216 185306073 /nfs/dbraw/zinc/30/60/73/185306073.db2.gz VBAGHPPMNROLFC-GXSJLCMTSA-N 1 0 319.224 1.491 10 0 DDAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090604461 185306089 /nfs/dbraw/zinc/30/60/89/185306089.db2.gz SEPIDKWAQPBXMI-QMTHXVAHSA-N 1 0 312.391 1.536 10 0 DDAERO O=C(c1ccc(=O)[nH]n1)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000090700456 185310437 /nfs/dbraw/zinc/31/04/37/185310437.db2.gz TUJGKUMOUDZUDI-LBPRGKRZSA-N 1 0 322.434 1.226 10 0 DDAERO COCC[NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cccn1 ZINC000092495680 185322491 /nfs/dbraw/zinc/32/24/91/185322491.db2.gz PVZGPZAXHXYZRZ-UHFFFAOYSA-N 1 0 308.769 1.700 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1c(N)cccc1F ZINC000092622673 185329657 /nfs/dbraw/zinc/32/96/57/185329657.db2.gz QILUVWIDCOEIDN-LLVKDONJSA-N 1 0 315.414 1.513 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cccc(N)c1C ZINC000092622707 185329749 /nfs/dbraw/zinc/32/97/49/185329749.db2.gz OWDCYOIJHUNDCW-ZDUSSCGKSA-N 1 0 311.451 1.682 10 0 DDAERO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(N)cc(F)c1F ZINC000092621926 185329812 /nfs/dbraw/zinc/32/98/12/185329812.db2.gz KPMBHPCRUPQOON-SNVBAGLBSA-N 1 0 319.377 1.262 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(F)cc1N ZINC000092622696 185330077 /nfs/dbraw/zinc/33/00/77/185330077.db2.gz GQMWGMVOGLKSFZ-GFCCVEGCSA-N 1 0 315.414 1.513 10 0 DDAERO CC[NH2+][C@H](C)[C@@H]1CCCCN1S(=O)(=O)c1cn(CC)cn1 ZINC000092889741 185348155 /nfs/dbraw/zinc/34/81/55/185348155.db2.gz KLMYBHFBESWGSS-OLZOCXBDSA-N 1 0 314.455 1.444 10 0 DDAERO CC[NH2+][C@@H]1c2cc(OC)ccc2C[C@@H]1Sc1nnnn1C ZINC000092860401 185347089 /nfs/dbraw/zinc/34/70/89/185347089.db2.gz GTOAYMGVHWXATE-QWHCGFSZSA-N 1 0 305.407 1.586 10 0 DDAERO CNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000181403325 199292021 /nfs/dbraw/zinc/29/20/21/199292021.db2.gz IQHIWSIFILOLND-LBPRGKRZSA-N 1 0 307.394 1.828 10 0 DDAERO CC(C)C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cccnc2)C1 ZINC000111719956 185631228 /nfs/dbraw/zinc/63/12/28/185631228.db2.gz JXUOVFJKCMEICX-AWEZNQCLSA-N 1 0 311.451 1.728 10 0 DDAERO CC(C)(C[NH3+])N1CCN(c2ncc(Br)cn2)CC1 ZINC000111750876 185633182 /nfs/dbraw/zinc/63/31/82/185633182.db2.gz GYQHRAQDTRORKO-UHFFFAOYSA-N 1 0 314.231 1.098 10 0 DDAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@@H]1OC(F)(F)F ZINC000616637185 362764931 /nfs/dbraw/zinc/76/49/31/362764931.db2.gz RXCURDXAHVPTLB-VIFPVBQESA-N 1 0 313.320 1.279 10 0 DDAERO O=C(c1cn[nH]c1[C@H]1CCCC[NH2+]1)N1CCc2nccnc2C1 ZINC000685941639 539565202 /nfs/dbraw/zinc/56/52/02/539565202.db2.gz FKDBVDADJXPKBC-CYBMUJFWSA-N 1 0 312.377 1.213 10 0 DDAERO C[C@@H](NS(=O)(=O)c1ccc(F)c(C[NH3+])c1)[C@H]1CCCO1 ZINC000071240018 190947466 /nfs/dbraw/zinc/94/74/66/190947466.db2.gz BBESJJKEWFNIEB-NOZJJQNGSA-N 1 0 302.371 1.130 10 0 DDAERO NS(=O)(=O)c1ccc(N[C@@H]2CC[NH2+]C3(CCC3)C2)c(F)c1 ZINC000071391164 190965758 /nfs/dbraw/zinc/96/57/58/190965758.db2.gz VBTVXAAMRCLKMY-SNVBAGLBSA-N 1 0 313.398 1.560 10 0 DDAERO CC[NH2+][C@H](C[S@@](=O)CCOC)c1ccc(OC)c(OC)c1 ZINC000084036242 192396122 /nfs/dbraw/zinc/39/61/22/192396122.db2.gz DJSDAHGFKGNHRJ-LRTDBIEQSA-N 1 0 315.435 1.750 10 0 DDAERO CCC[C@@H](C[S@](=O)c1ccc(S(C)(=O)=O)cc1)[NH2+]CC ZINC000084055951 192397688 /nfs/dbraw/zinc/39/76/88/192397688.db2.gz PMHAZOIHMTYDKI-HXPMCKFVSA-N 1 0 317.476 1.976 10 0 DDAERO COc1ccc([C@H]([NH3+])C[S@](=O)C2CCOCC2)cc1OC ZINC000084054552 192398090 /nfs/dbraw/zinc/39/80/90/192398090.db2.gz XJOYPCVUDZZYMZ-LRTDBIEQSA-N 1 0 313.419 1.631 10 0 DDAERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccc(C(N)=O)nc2)[C@@H](C)C1 ZINC000164276288 186154665 /nfs/dbraw/zinc/15/46/65/186154665.db2.gz ZSQZGSOOULWQTE-GWCFXTLKSA-N 1 0 305.382 1.031 10 0 DDAERO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000164417560 186158856 /nfs/dbraw/zinc/15/88/56/186158856.db2.gz CKZFCELMEKPMTO-GXTWGEPZSA-N 1 0 319.405 1.399 10 0 DDAERO 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NS(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCC[C@H]2[NH3+])c1 ZINC000085363890 192495776 /nfs/dbraw/zinc/49/57/76/192495776.db2.gz YYHWFUYPSCEJQR-WCBMZHEXSA-N 1 0 317.798 1.053 10 0 DDAERO COC(=O)CNC(=O)[C@@H](C)[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000183640450 291090746 /nfs/dbraw/zinc/09/07/46/291090746.db2.gz BJHUAIIQUOXHTJ-DYLQFAQQSA-N 1 0 322.449 1.859 10 0 DDAERO CC[NH2+][C@@H]1CCC[C@@H]1N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081533746 192284446 /nfs/dbraw/zinc/28/44/46/192284446.db2.gz AAGWHCAOSWZUSC-ZJUUUORDSA-N 1 0 303.332 1.643 10 0 DDAERO CCCCOCCOC[C@@H](O)C[NH2+]CCCC(=O)OCC ZINC000081545876 192287163 /nfs/dbraw/zinc/28/71/63/192287163.db2.gz QTPXVVSCPITKKB-AWEZNQCLSA-N 1 0 305.415 1.114 10 0 DDAERO CCNC(=O)COc1cccc(NC(=O)C2CC[NH2+]CC2)c1 ZINC000236899843 202060549 /nfs/dbraw/zinc/06/05/49/202060549.db2.gz AKSGOQIQOSHMKV-UHFFFAOYSA-N 1 0 305.378 1.140 10 0 DDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1nc2c(cccc2C(=O)OC)[nH]1 ZINC000236921362 202071728 /nfs/dbraw/zinc/07/17/28/202071728.db2.gz 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ZINC000088949316 192666389 /nfs/dbraw/zinc/66/63/89/192666389.db2.gz QDRNMUQKFRHGAE-ZDUSSCGKSA-N 1 0 316.471 1.690 10 0 DDAERO CC[NH2+]C[C@H]1CCCN(S(=O)(=O)N2CCCCCCC2)C1 ZINC000088936676 192662045 /nfs/dbraw/zinc/66/20/45/192662045.db2.gz ODMBDRWEANRMJC-OAHLLOKOSA-N 1 0 317.499 1.819 10 0 DDAERO CC[C@H](C)N(C)S(=O)(=O)c1ccc(OC)cc1CC[NH3+] ZINC000088948707 192664458 /nfs/dbraw/zinc/66/44/58/192664458.db2.gz QCNVZFIIXXXEDO-NSHDSACASA-N 1 0 300.424 1.615 10 0 DDAERO CC[NH2+]Cc1cc(S(=O)(=O)N2CCC[C@@H]2C)ccc1OC ZINC000088972234 192675838 /nfs/dbraw/zinc/67/58/38/192675838.db2.gz KQPBYOSZJGTZRD-LBPRGKRZSA-N 1 0 312.435 1.978 10 0 DDAERO C[NH2+]Cc1sccc1S(=O)(=O)N(C)C[C@H]1CCCO1 ZINC000088992933 192685030 /nfs/dbraw/zinc/68/50/30/192685030.db2.gz JMKQRULAWRAGAO-SNVBAGLBSA-N 1 0 304.437 1.267 10 0 DDAERO C[NH2+]Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H](C)COC)c1 ZINC000088997183 192689405 /nfs/dbraw/zinc/68/94/05/192689405.db2.gz DOXWLRLKTAYAKL-LBPRGKRZSA-N 1 0 300.424 1.370 10 0 DDAERO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(Cc2cnc(N(C)C)nc2)C1 ZINC000348022089 283339580 /nfs/dbraw/zinc/33/95/80/283339580.db2.gz KTINQPOEYPNIOZ-HOTGVXAUSA-N 1 0 319.453 1.228 10 0 DDAERO C[C@@H](C[NH2+]Cc1ccc(Br)o1)N1CCOCC1 ZINC000237359872 202242614 /nfs/dbraw/zinc/24/26/14/202242614.db2.gz ZNASXFCNASUKPF-JTQLQIEISA-N 1 0 303.200 1.852 10 0 DDAERO CC[NH2+]CC1CCN(S(=O)(=O)N(C)[C@@H](C)C(C)(C)C)CC1 ZINC000089007419 192693807 /nfs/dbraw/zinc/69/38/07/192693807.db2.gz NXCMXFIPMNBHPM-ZDUSSCGKSA-N 1 0 319.515 1.919 10 0 DDAERO CC[NH2+]C[C@@H]1CCCN(S(=O)(=O)NC2(C)CCCCC2)C1 ZINC000089013327 192698758 /nfs/dbraw/zinc/69/87/58/192698758.db2.gz RIAHAEIDDKWPRY-AWEZNQCLSA-N 1 0 317.499 1.865 10 0 DDAERO C[NH2+]Cc1cccc(CS(=O)(=O)N[C@@H]2CCC[C@@H]2OC)c1 ZINC000089021961 192701933 /nfs/dbraw/zinc/70/19/33/192701933.db2.gz KXXOHNHTRNDJLK-CABCVRRESA-N 1 0 312.435 1.393 10 0 DDAERO CCC[NH2+]CCCN(C)S(=O)(=O)N1CCC(C)(C)CC1 ZINC000089027161 192706861 /nfs/dbraw/zinc/70/68/61/192706861.db2.gz YHZFAJNKGOFVSD-UHFFFAOYSA-N 1 0 305.488 1.675 10 0 DDAERO CC[NH2+]C[C@H]1CCCN(S(=O)(=O)N2CCC(C)(C)CC2)C1 ZINC000089027171 192707285 /nfs/dbraw/zinc/70/72/85/192707285.db2.gz DGJNFFNGTXUPJH-CQSZACIVSA-N 1 0 317.499 1.675 10 0 DDAERO CCc1nn(C)c(C[C@](C)(C[NH3+])[C@@H](C)O)c1Br ZINC000089346804 192771125 /nfs/dbraw/zinc/77/11/25/192771125.db2.gz KPMBYSLJXFXSQQ-PRHODGIISA-N 1 0 304.232 1.633 10 0 DDAERO CCCCOC(=O)CSc1nnnn1CC[NH2+]CC(C)C ZINC000089690860 192844030 /nfs/dbraw/zinc/84/40/30/192844030.db2.gz RVZBGYFKEBJXHS-UHFFFAOYSA-N 1 0 315.443 1.354 10 0 DDAERO [NH3+]CCn1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)nn1 ZINC000089698203 192844940 /nfs/dbraw/zinc/84/49/40/192844940.db2.gz DWVYVROZGKMRAD-UHFFFAOYSA-N 1 0 300.149 1.796 10 0 DDAERO CC[N@H+](CCO)CCNC(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000187409764 200108386 /nfs/dbraw/zinc/10/83/86/200108386.db2.gz SLFWCKLETOFKGN-YOEHRIQHSA-N 1 0 319.449 1.842 10 0 DDAERO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000173333861 283482113 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CS(=O)(=O)[C@@H]1CSCCN1CC1(C[NH3+])CCCCC1 ZINC000090923675 192948214 /nfs/dbraw/zinc/94/82/14/192948214.db2.gz AYZGEBGMZUNHRA-GFCCVEGCSA-N 1 0 306.497 1.315 10 0 DDAERO [NH3+]CCc1nc(-c2nc(Cc3ccc(O)cc3)no2)cs1 ZINC000090938561 192957136 /nfs/dbraw/zinc/95/71/36/192957136.db2.gz AXHLSEFXTFLUJQ-UHFFFAOYSA-N 1 0 302.359 1.991 10 0 DDAERO FC(F)(F)c1nnc2n1CCN(CC[C@H]1CSCC[NH2+]1)C2 ZINC000091292348 193032439 /nfs/dbraw/zinc/03/24/39/193032439.db2.gz IOPSNRBTRGMVEW-VIFPVBQESA-N 1 0 321.372 1.208 10 0 DDAERO CCc1nn(C)c(COC2CC(C[NH3+])C2)c1Br ZINC000091451070 193058735 /nfs/dbraw/zinc/05/87/35/193058735.db2.gz LERDXQYHCZMQGT-UHFFFAOYSA-N 1 0 302.216 1.999 10 0 DDAERO CSC1(C[NH3+])CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000091472539 193061420 /nfs/dbraw/zinc/06/14/20/193061420.db2.gz ZUTCQIYZMZFGCC-UHFFFAOYSA-N 1 0 300.449 1.532 10 0 DDAERO CC(C)(C(N)=S)[NH+]1CCN(C(=O)C2C(C)(C)C2(C)C)CC1 ZINC000091491929 193064216 /nfs/dbraw/zinc/06/42/16/193064216.db2.gz TVAHUXNBGPDTQU-UHFFFAOYSA-N 1 0 311.495 1.878 10 0 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O=C(NCc1ccc(O)c(F)c1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262707991 203389734 /nfs/dbraw/zinc/38/97/34/203389734.db2.gz DRZRDRMFMRXKFO-GFCCVEGCSA-N 1 0 318.352 1.582 10 0 DDAERO C[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCn1cc(Br)cn1 ZINC000093598367 193272441 /nfs/dbraw/zinc/27/24/41/193272441.db2.gz RIGHHUALUIVOOW-BXKDBHETSA-N 1 0 315.215 1.279 10 0 DDAERO [NH3+]C[C@@]1(O)CCC[C@@H]1CCN1CCN(CC(F)(F)F)CC1 ZINC000093626897 193276679 /nfs/dbraw/zinc/27/66/79/193276679.db2.gz FAFZAPSFZJIZOF-OLZOCXBDSA-N 1 0 309.376 1.046 10 0 DDAERO CCc1nn(C)c(C[C@H]([NH2+]C)[C@@H](C)OC)c1Br ZINC000093690193 193289701 /nfs/dbraw/zinc/28/97/01/193289701.db2.gz XIACIXRELGMXOV-SCZZXKLOSA-N 1 0 304.232 1.910 10 0 DDAERO CS(=O)(=O)N1CCC[C@@H](C[NH2+][C@@H]2COc3ccccc32)C1 ZINC000093696975 193291866 /nfs/dbraw/zinc/29/18/66/193291866.db2.gz GHNYKJMDZJVLQZ-GXTWGEPZSA-N 1 0 310.419 1.381 10 0 DDAERO C[C@H](Cc1ccsc1)[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696550 193291895 /nfs/dbraw/zinc/29/18/95/193291895.db2.gz HTGHNPYSAJLGKW-TZMCWYRMSA-N 1 0 316.492 1.940 10 0 DDAERO C[C@@H](Cc1ccco1)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696447 193291947 /nfs/dbraw/zinc/29/19/47/193291947.db2.gz WJWFWUJGJLCACX-STQMWFEESA-N 1 0 300.424 1.472 10 0 DDAERO CC[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccco1 ZINC000093700234 193293812 /nfs/dbraw/zinc/29/38/12/193293812.db2.gz RZDXGPCBCIQLDF-CHWSQXEVSA-N 1 0 300.424 1.992 10 0 DDAERO Cc1ccccc1C[C@H]([NH3+])C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700137 193293871 /nfs/dbraw/zinc/29/38/71/193293871.db2.gz FYUFZZSHNZMHIY-GDBMZVCRSA-N 1 0 310.463 1.927 10 0 DDAERO Cc1ccc(C[C@H]([NH3+])C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000093700193 193294016 /nfs/dbraw/zinc/29/40/16/193294016.db2.gz VTTJUGPJVZRONC-HOTGVXAUSA-N 1 0 310.463 1.927 10 0 DDAERO CCC[NH2+][C@H](COCCC)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700169 193294404 /nfs/dbraw/zinc/29/44/04/193294404.db2.gz OKRHPYGKQOPQGD-CABCVRRESA-N 1 0 320.499 1.843 10 0 DDAERO CC[NH+](CC)C(C)(C)[C@@H](N)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700718 193294550 /nfs/dbraw/zinc/29/45/50/193294550.db2.gz AFZFSIUNTSKECV-KGLIPLIRSA-N 1 0 319.515 1.496 10 0 DDAERO CCC[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H](C)OC ZINC000093700862 193295141 /nfs/dbraw/zinc/29/51/41/193295141.db2.gz UINPFLZVBUUOOE-HZSPNIEDSA-N 1 0 306.472 1.451 10 0 DDAERO CCC[NH2+]CC[C@@](C)(O)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702854 193295247 /nfs/dbraw/zinc/29/52/47/193295247.db2.gz ODOQKHAYQVEYGT-UONOGXRCSA-N 1 0 306.472 1.189 10 0 DDAERO Cc1nnc(S[C@@H]2CCC[C@]([NH2+]C3CC3)(C(N)=O)C2)n1C ZINC000093779988 193306042 /nfs/dbraw/zinc/30/60/42/193306042.db2.gz HKTRLNNRPWYBQH-BXUZGUMPSA-N 1 0 309.439 1.134 10 0 DDAERO C[NH2+][C@@]1(C(N)=O)CCC[C@H](Sc2nc(C)c(C)c(C)n2)C1 ZINC000093780491 193307297 /nfs/dbraw/zinc/30/72/97/193307297.db2.gz OJBLNKWHPQXJCW-WFASDCNBSA-N 1 0 308.451 1.880 10 0 DDAERO CC(C)OCCS(=O)(=O)N1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000093665944 193287648 /nfs/dbraw/zinc/28/76/48/193287648.db2.gz PRQPYHMVAFWCEB-CQSZACIVSA-N 1 0 304.456 1.205 10 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GJNNPDDWOICAHD-HIFRSBDPSA-N 1 0 314.451 1.450 10 0 DDAERO CCCOc1ccc([C@@H](C[NH3+])N(C)CCS(C)(=O)=O)cc1 ZINC000094297725 193357268 /nfs/dbraw/zinc/35/72/68/193357268.db2.gz WUQQJPAKXHOQLE-OAHLLOKOSA-N 1 0 314.451 1.452 10 0 DDAERO C[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)N(C)CCS(C)(=O)=O ZINC000094298260 193357809 /nfs/dbraw/zinc/35/78/09/193357809.db2.gz GOIRVKQAWNYLOZ-DOMZBBRYSA-N 1 0 314.451 1.321 10 0 DDAERO CCCc1ccc([C@H](CN(C)CCS(C)(=O)=O)[NH2+]C)cc1 ZINC000094298258 193357834 /nfs/dbraw/zinc/35/78/34/193357834.db2.gz KIZUMTZOWBMNMM-INIZCTEOSA-N 1 0 312.479 1.876 10 0 DDAERO CC[NH2+][C@@H]1c2ccccc2OC[C@@H]1N(C)CCS(C)(=O)=O ZINC000094298251 193357865 /nfs/dbraw/zinc/35/78/65/193357865.db2.gz JFTQIPFKGQQQME-DZGCQCFKSA-N 1 0 312.435 1.075 10 0 DDAERO CC[NH2+][C@@H](c1ccccc1)[C@@H](C)CN(C)CCS(C)(=O)=O ZINC000094300496 193358841 /nfs/dbraw/zinc/35/88/41/193358841.db2.gz AWBFMTRPZHYFIS-GOEBONIOSA-N 1 0 312.479 1.950 10 0 DDAERO C[NH+](C)C(C)(C)COc1nc(C(F)(F)F)ccc1C(N)=O ZINC000094335810 193360046 /nfs/dbraw/zinc/36/00/46/193360046.db2.gz GMZILRDNUDGODA-UHFFFAOYSA-N 1 0 305.300 1.918 10 0 DDAERO CC1(C)C(=O)N(c2ccc(C[NH3+])cc2C(F)(F)F)S1(=O)=O ZINC000094343938 193362274 /nfs/dbraw/zinc/36/22/74/193362274.db2.gz OQZUDFXYIQZOLT-UHFFFAOYSA-N 1 0 322.308 1.619 10 0 DDAERO C[C@@H]1CN(CC(=O)NC(=O)c2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000094342232 193362346 /nfs/dbraw/zinc/36/23/46/193362346.db2.gz GEURYOZUGLPQCP-MFKMUULPSA-N 1 0 309.797 1.266 10 0 DDAERO COCC[NH2+]Cc1cc(F)c(OCCC(=O)OC)c(F)c1 ZINC000094348205 193363233 /nfs/dbraw/zinc/36/32/33/193363233.db2.gz XSYQHCXNESDRPH-UHFFFAOYSA-N 1 0 303.305 1.643 10 0 DDAERO Cc1c(F)cc(N)cc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000094360985 193365807 /nfs/dbraw/zinc/36/58/07/193365807.db2.gz ULGVVLIHJKDUFI-GFCCVEGCSA-N 1 0 315.414 1.431 10 0 DDAERO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CNC(=O)C1 ZINC000094122956 193346694 /nfs/dbraw/zinc/34/66/94/193346694.db2.gz ZJAAPUVGDSWXGO-CQSZACIVSA-N 1 0 301.390 1.400 10 0 DDAERO C[NH+](C)C[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(F)c(F)c1F ZINC000094184924 193347941 /nfs/dbraw/zinc/34/79/41/193347941.db2.gz XIYVFUUIJBWUBN-DTWKUNHWSA-N 1 0 302.296 1.241 10 0 DDAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C1(C(N)=S)CCCC1 ZINC000094447284 193372010 /nfs/dbraw/zinc/37/20/10/193372010.db2.gz OBDNYNOIAUMUBP-CHWSQXEVSA-N 1 0 309.479 1.918 10 0 DDAERO CC1(C)CCSC[C@@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000094482032 193372335 /nfs/dbraw/zinc/37/23/35/193372335.db2.gz OQEOWTUCDVHFJF-LBPRGKRZSA-N 1 0 306.497 1.532 10 0 DDAERO CC1(C)CCSC[C@H]1[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000094483156 193372791 /nfs/dbraw/zinc/37/27/91/193372791.db2.gz LLJQECALXJXBBC-CYBMUJFWSA-N 1 0 314.476 1.955 10 0 DDAERO C[NH2+][C@H]([C@@H]1CCOC2(CCOCC2)C1)[C@@H]1CSCCO1 ZINC000094503266 193374902 /nfs/dbraw/zinc/37/49/02/193374902.db2.gz ZUZLBQUFJJIPML-HZSPNIEDSA-N 1 0 301.452 1.682 10 0 DDAERO Brc1ccc2nc(NCC[NH+]3CCCC3)nn2c1 ZINC000094605530 193383707 /nfs/dbraw/zinc/38/37/07/193383707.db2.gz UMLGNAZWCYOLHG-UHFFFAOYSA-N 1 0 310.199 2.000 10 0 DDAERO C[C@@H]1CN(c2nc3c(Br)cccn3n2)C[C@H](C)[NH2+]1 ZINC000094608261 193384821 /nfs/dbraw/zinc/38/48/21/193384821.db2.gz ANWHDLPYORAVOP-DTORHVGOSA-N 1 0 310.199 1.678 10 0 DDAERO COc1cccc(C[NH3+])c1O[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094634474 193385328 /nfs/dbraw/zinc/38/53/28/193385328.db2.gz CNXKWARTPLSITE-OLZOCXBDSA-N 1 0 313.419 1.889 10 0 DDAERO CN(CC(=O)NCC(F)(F)F)C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000094751519 193395328 /nfs/dbraw/zinc/39/53/28/193395328.db2.gz DNMGIQZQCMVJOX-ZJUUUORDSA-N 1 0 309.332 1.031 10 0 DDAERO [NH3+][C@@H]1CCCCC[C@H]1C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000094752619 193395400 /nfs/dbraw/zinc/39/54/00/193395400.db2.gz SMERGALOFQXQRL-VXGBXAGGSA-N 1 0 307.360 1.601 10 0 DDAERO Cc1cc(F)c(N)cc1S(=O)(=O)NCC1CC[NH+](C)CC1 ZINC000094779556 193397115 /nfs/dbraw/zinc/39/71/15/193397115.db2.gz GFPHSTGXWLZKAT-UHFFFAOYSA-N 1 0 315.414 1.336 10 0 DDAERO Cc1nn(C)c(C[C@@H]([NH3+])[C@@]2(C)CCCO2)c1Br ZINC000094782832 193398078 /nfs/dbraw/zinc/39/80/78/193398078.db2.gz HBARKMYZWNGXBK-ZYHUDNBSSA-N 1 0 302.216 1.930 10 0 DDAERO CC[NH+](CC)CC(=O)N[C@@H]1CCCc2nc(N(C)C)ncc21 ZINC000012458726 181765253 /nfs/dbraw/zinc/76/52/53/181765253.db2.gz FBKJNVCTEWKMNL-CYBMUJFWSA-N 1 0 305.426 1.378 10 0 DDAERO C[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cnc(C)cn1 ZINC000097309331 193707250 /nfs/dbraw/zinc/70/72/50/193707250.db2.gz ZSHYGTLXMNPGNA-QWHCGFSZSA-N 1 0 312.439 1.107 10 0 DDAERO C[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cncc(F)c1 ZINC000097309544 193706622 /nfs/dbraw/zinc/70/66/22/193706622.db2.gz GKCWJGYJSHEJMF-SMDDNHRTSA-N 1 0 315.414 1.543 10 0 DDAERO COc1cc(C[NH2+]CCNC(C)=O)cc(Br)c1O ZINC000020148711 182192662 /nfs/dbraw/zinc/19/26/62/182192662.db2.gz AUGJRCYVVDQDRE-UHFFFAOYSA-N 1 0 317.183 1.389 10 0 DDAERO COC[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103435595 248244320 /nfs/dbraw/zinc/24/43/20/248244320.db2.gz ZZOHVYBILCWEAU-WBVHZDCISA-N 1 0 304.434 1.950 10 0 DDAERO COC[C@@H](C)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103435597 248246004 /nfs/dbraw/zinc/24/60/04/248246004.db2.gz ZZOHVYBILCWEAU-NVXWUHKLSA-N 1 0 304.434 1.950 10 0 DDAERO OC[C@H](c1cc(Br)ccc1F)N1CC[NH2+]CC1 ZINC000038120769 182992709 /nfs/dbraw/zinc/99/27/09/182992709.db2.gz FOXFCDZNZAKBST-GFCCVEGCSA-N 1 0 303.175 1.527 10 0 DDAERO [NH3+][C@H]1CCCC[C@H]1Nc1ccccc1S(=O)(=O)NC1CC1 ZINC000038050858 182982833 /nfs/dbraw/zinc/98/28/33/182982833.db2.gz GCCGJVAIBUPNQJ-QWHCGFSZSA-N 1 0 309.435 1.809 10 0 DDAERO CCOC(=O)C1(C(=O)OCC)SCC([NH+](C)C)CS1 ZINC000039612610 183021038 /nfs/dbraw/zinc/02/10/38/183021038.db2.gz XLHKHTLKIJYPAZ-UHFFFAOYSA-N 1 0 307.437 1.219 10 0 DDAERO CCCCN(C(=O)[C@@H]([NH3+])[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000040490615 183079729 /nfs/dbraw/zinc/07/97/29/183079729.db2.gz MNBBPMKECFRKAC-UPJWGTAASA-N 1 0 304.456 1.176 10 0 DDAERO CC[N@@H+]1CCC[C@@H](Nc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000040503140 183084538 /nfs/dbraw/zinc/08/45/38/183084538.db2.gz VKKCYOLHCVAOKR-CQSZACIVSA-N 1 0 311.451 1.833 10 0 DDAERO CO[C@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CCSc3ccc(F)cc32)C1 ZINC000040632938 183111755 /nfs/dbraw/zinc/11/17/55/183111755.db2.gz ZAFVPKALTORNFO-RAIGVLPGSA-N 1 0 310.394 1.856 10 0 DDAERO CC(C)C[C@H](CNS(=O)(=O)c1cnc(Cl)nc1)[NH+](C)C ZINC000040805769 183136301 /nfs/dbraw/zinc/13/63/01/183136301.db2.gz HFUCXBNMNJKECL-SNVBAGLBSA-N 1 0 320.846 1.385 10 0 DDAERO CCCN(CC[NH+](C)C)S(=O)(=O)c1ccc([C@@H](C)O)cc1 ZINC000041684819 183217122 /nfs/dbraw/zinc/21/71/22/183217122.db2.gz QKZMZXJIKDPBAE-CYBMUJFWSA-N 1 0 314.451 1.702 10 0 DDAERO C[NH2+]Cc1cnn([C@H]2CCS(=O)(=O)C2)c1-c1ccccc1 ZINC000042188568 183238752 /nfs/dbraw/zinc/23/87/52/183238752.db2.gz YYQMPRBWLQSDSK-AWEZNQCLSA-N 1 0 305.403 1.629 10 0 DDAERO C[NH2+]Cc1cccc(Br)c1OC[C@H]1CNC(=O)O1 ZINC000042411570 183266189 /nfs/dbraw/zinc/26/61/89/183266189.db2.gz RAWQOENXSMDLRU-SECBINFHSA-N 1 0 315.167 1.656 10 0 DDAERO CCN(C[C@@H](C)C[NH3+])c1ccccc1S(=O)(=O)NC1CC1 ZINC000042442364 183270964 /nfs/dbraw/zinc/27/09/64/183270964.db2.gz XTDHPXVPGCQVCQ-LBPRGKRZSA-N 1 0 311.451 1.548 10 0 DDAERO CCC(CC)N(CCO)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000042514354 183279034 /nfs/dbraw/zinc/27/90/34/183279034.db2.gz KFGGBAGPOHNSEN-UHFFFAOYSA-N 1 0 314.451 1.458 10 0 DDAERO C[C@H]1c2ccsc2CCN1S(=O)(=O)N1CCC[NH2+]CC1 ZINC000042770920 183306801 /nfs/dbraw/zinc/30/68/01/183306801.db2.gz AGYNJMXISWEMFT-NSHDSACASA-N 1 0 315.464 1.207 10 0 DDAERO CC[C@H](C)N(CCOC)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000042589097 183288637 /nfs/dbraw/zinc/28/86/37/183288637.db2.gz CJRIHVSJNZTTCV-ZDUSSCGKSA-N 1 0 314.451 1.722 10 0 DDAERO CC[NH2+]Cc1cc2c(cc1O[C@@H]1CCS(=O)(=O)C1)OCO2 ZINC000042874628 183316126 /nfs/dbraw/zinc/31/61/26/183316126.db2.gz XAVJWKNISJVVAI-LLVKDONJSA-N 1 0 313.375 1.091 10 0 DDAERO CCN(CC(=O)NC)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043020675 183330029 /nfs/dbraw/zinc/33/00/29/183330029.db2.gz CGXWRJHLVWVZBE-LBPRGKRZSA-N 1 0 314.227 1.517 10 0 DDAERO C[C@@H]([NH3+])[C@H](c1ccc(Br)s1)N(C)CC(N)=O ZINC000043259829 183349148 /nfs/dbraw/zinc/34/91/48/183349148.db2.gz IQHPXSYGOBLSQD-LHLIQPBNSA-N 1 0 306.229 1.316 10 0 DDAERO CNC(=O)CN(C)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000043259835 183349260 /nfs/dbraw/zinc/34/92/60/183349260.db2.gz RXFPMQRJBPVRPN-SSDOTTSWSA-N 1 0 306.229 1.188 10 0 DDAERO C[NH2+][C@H](c1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000043300582 183352758 /nfs/dbraw/zinc/35/27/58/183352758.db2.gz ZLNXBCXHQPQXPE-CABZTGNLSA-N 1 0 305.346 1.983 10 0 DDAERO C[C@@H]([NH3+])[C@H](Oc1ccc(S(C)(=O)=O)cc1)c1ccccn1 ZINC000043343864 183356191 /nfs/dbraw/zinc/35/61/91/183356191.db2.gz MFJLVNXIBJNGJR-ABAIWWIYSA-N 1 0 306.387 1.952 10 0 DDAERO CC[NH+](CC)CCN[C@H](C(N)=O)c1ccc(Cl)c(F)c1 ZINC000043390826 183358736 /nfs/dbraw/zinc/35/87/36/183358736.db2.gz ISXGSRHPVCRGKH-ZDUSSCGKSA-N 1 0 301.793 1.937 10 0 DDAERO COC[C@@H](C)NC(=O)COc1ccc(C[C@@H](C)[NH3+])cc1Cl ZINC000043491646 183366873 /nfs/dbraw/zinc/36/68/73/183366873.db2.gz FJABYDCKMZPMJC-GHMZBOCLSA-N 1 0 314.813 1.760 10 0 DDAERO CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043800959 183386397 /nfs/dbraw/zinc/38/63/97/183386397.db2.gz LBSBSIDDSZBOOW-JTQLQIEISA-N 1 0 312.391 1.469 10 0 DDAERO O=C(c1cc(F)ccc1F)N1CC[N+](=c2ccccn2O)CC1 ZINC000104173310 193988872 /nfs/dbraw/zinc/98/88/72/193988872.db2.gz SQVGYHSLZYVHOF-UHFFFAOYSA-N 1 0 320.319 1.452 10 0 DDAERO CC[C@H]1CN(CCOc2ccc(OC)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000105825094 194136930 /nfs/dbraw/zinc/13/69/30/194136930.db2.gz NDGPZHGTEANBJO-CVEARBPZSA-N 1 0 322.449 1.851 10 0 DDAERO C[C@](O)(C[N@@H+]1CCCN(c2cccnn2)CC1)c1ccccc1 ZINC000105800422 194131787 /nfs/dbraw/zinc/13/17/87/194131787.db2.gz DLBVMZWNCXSBID-SFHVURJKSA-N 1 0 312.417 1.896 10 0 DDAERO CCc1noc([C@H](C)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000105862522 194149804 /nfs/dbraw/zinc/14/98/04/194149804.db2.gz UFFDHBVYZFQIIQ-OLZOCXBDSA-N 1 0 310.442 1.718 10 0 DDAERO CC[C@H]1CN(CC(=O)N2CCC(C)CC2)CC[N@@H+]1CCOC ZINC000105836208 194141143 /nfs/dbraw/zinc/14/11/43/194141143.db2.gz FCLQGSBBZOPKPX-INIZCTEOSA-N 1 0 311.470 1.288 10 0 DDAERO CC[C@@H]1CN(Cc2ccc(C(=O)OC)o2)CC[N@@H+]1CCOC ZINC000105835788 194142446 /nfs/dbraw/zinc/14/24/46/194142446.db2.gz YTKZWTQRDBQBQU-CYBMUJFWSA-N 1 0 310.394 1.609 10 0 DDAERO CC[C@H]1CN(Cc2ccc(C(=O)OC)o2)CC[N@@H+]1CCOC ZINC000105835790 194142472 /nfs/dbraw/zinc/14/24/72/194142472.db2.gz YTKZWTQRDBQBQU-ZDUSSCGKSA-N 1 0 310.394 1.609 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2nnc(C)n2C2CC2)C[C@@H]1C ZINC000105835596 194143074 /nfs/dbraw/zinc/14/30/74/194143074.db2.gz DETOAJXLBWCGJH-ZDUSSCGKSA-N 1 0 307.442 1.464 10 0 DDAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)C(=O)N[C@@H](C)c1ccccc1 ZINC000105870706 194151834 /nfs/dbraw/zinc/15/18/34/194151834.db2.gz SLQASDLPVJWBAV-KCQAQPDRSA-N 1 0 313.405 1.448 10 0 DDAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CC(=O)NC(C)(C)C)C2)n1 ZINC000105884713 194157485 /nfs/dbraw/zinc/15/74/85/194157485.db2.gz RRMIQHLZKJHPCC-CQSZACIVSA-N 1 0 307.442 1.522 10 0 DDAERO CCc1ccccc1NC(=O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000105927204 194173292 /nfs/dbraw/zinc/17/32/92/194173292.db2.gz QKEHAPGLEPXDNF-HNNXBMFYSA-N 1 0 305.422 1.450 10 0 DDAERO COCC[N@@H+]1CCN(Cc2ccc(C(=O)OC)cc2)C[C@H]1C ZINC000106108238 194185549 /nfs/dbraw/zinc/18/55/49/194185549.db2.gz RCAXNNSALCUTKR-CQSZACIVSA-N 1 0 306.406 1.626 10 0 DDAERO CC[C@@H]([NH3+])c1cccc(S(=O)(=O)N2CCOCC2(C)C)c1 ZINC000048946313 183697904 /nfs/dbraw/zinc/69/79/04/183697904.db2.gz SZIFXBGAPSXRKJ-CQSZACIVSA-N 1 0 312.435 1.896 10 0 DDAERO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000048983210 183700579 /nfs/dbraw/zinc/70/05/79/183700579.db2.gz INUFBRLJFAFUQN-HTQZYQBOSA-N 1 0 301.749 1.974 10 0 DDAERO CC[C@@H]([NH3+])Cc1cc(Cl)ccc1OCC(=O)NCCOC ZINC000049279202 183723071 /nfs/dbraw/zinc/72/30/71/183723071.db2.gz DAVCVXXHLAFYEI-CYBMUJFWSA-N 1 0 314.813 1.761 10 0 DDAERO Cn1cnnc1CC[NH2+]C[C@H](O)c1cc(Cl)ccc1Cl ZINC000109424024 194262933 /nfs/dbraw/zinc/26/29/33/194262933.db2.gz JCSWXYZWPWIRJU-LBPRGKRZSA-N 1 0 315.204 1.988 10 0 DDAERO NC(=S)C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000109442846 194264008 /nfs/dbraw/zinc/26/40/08/194264008.db2.gz YSFYSQRZFNLRCU-UHFFFAOYSA-N 1 0 304.341 1.509 10 0 DDAERO CC[C@@H](C[NH3+])N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000109450953 194265085 /nfs/dbraw/zinc/26/50/85/194265085.db2.gz QUABNGLYWLBZJR-AWEZNQCLSA-N 1 0 311.451 1.039 10 0 DDAERO COCCN(CCC(N)=[NH2+])c1ccc(Br)cn1 ZINC000110443223 194330138 /nfs/dbraw/zinc/33/01/38/194330138.db2.gz AWPHSYZBVPSQAH-UHFFFAOYSA-N 1 0 301.188 1.623 10 0 DDAERO C[C@@H](C[NH2+]C[C@@H]1CCCO1)N1CCN(CC(F)(F)F)CC1 ZINC000053489178 183903980 /nfs/dbraw/zinc/90/39/80/183903980.db2.gz TVOUOFQMNMWWMC-STQMWFEESA-N 1 0 309.376 1.323 10 0 DDAERO CC[NH2+][C@@](CSc1cnccn1)(C(N)=O)c1ccccc1 ZINC000110914690 194368780 /nfs/dbraw/zinc/36/87/80/194368780.db2.gz FHMIVXMBDHPFHP-OAHLLOKOSA-N 1 0 302.403 1.559 10 0 DDAERO CN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1cccc(Cl)c1F ZINC000110927770 194370624 /nfs/dbraw/zinc/37/06/24/194370624.db2.gz CSRCWNCSOHBLBN-SECBINFHSA-N 1 0 306.790 1.852 10 0 DDAERO [NH3+]CCCn1cc(Br)cc(Br)c1=O ZINC000057832398 184055827 /nfs/dbraw/zinc/05/58/27/184055827.db2.gz FDYUODPIKRRSHS-UHFFFAOYSA-N 1 0 309.989 1.722 10 0 DDAERO CC[NH2+]C[C@@H](C)C(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000061267454 184167216 /nfs/dbraw/zinc/16/72/16/184167216.db2.gz GHYLHIRXOSCWHE-GFCCVEGCSA-N 1 0 309.435 1.278 10 0 DDAERO CC[N@@H+]1CC[C@H](CNc2nc(Cl)nc(N3CCCC3)n2)C1 ZINC000061538141 184172810 /nfs/dbraw/zinc/17/28/10/184172810.db2.gz OMTGRWMUEMGQCG-LLVKDONJSA-N 1 0 310.833 1.879 10 0 DDAERO C[NH+]1CCC(CNc2nc(Cl)nc(-n3cccn3)n2)CC1 ZINC000061540781 184173752 /nfs/dbraw/zinc/17/37/52/184173752.db2.gz CSZAQJYIIXPACG-UHFFFAOYSA-N 1 0 307.789 1.464 10 0 DDAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C)c1ccc(OC)cc1 ZINC000061592632 184175711 /nfs/dbraw/zinc/17/57/11/184175711.db2.gz QBWDCCMHISBLNY-NEPJUHHUSA-N 1 0 308.407 1.688 10 0 DDAERO CCC[NH+]1CCN(C(=O)[C@H](C(N)=S)c2ccccc2)CC1 ZINC000061615890 184178627 /nfs/dbraw/zinc/17/86/27/184178627.db2.gz WUAGGKDUHKXERN-AWEZNQCLSA-N 1 0 305.447 1.611 10 0 DDAERO CCOC(=O)[C@@H]1CCCN(Cc2[nH+]c(NN)ccc2Cl)C1 ZINC000061638844 184179913 /nfs/dbraw/zinc/17/99/13/184179913.db2.gz VFFQSJDDVIYKQB-SNVBAGLBSA-N 1 0 312.801 1.796 10 0 DDAERO C[C@@H](O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061655574 184181407 /nfs/dbraw/zinc/18/14/07/184181407.db2.gz FQXFVNHMJZXOAD-TZMCWYRMSA-N 1 0 312.435 1.455 10 0 DDAERO CC[C@H](Oc1ccc(Br)cc1C[C@@H](C)[NH3+])C(N)=O ZINC000061678367 184181655 /nfs/dbraw/zinc/18/16/55/184181655.db2.gz UXNSGWFNCPIHDC-KCJUWKMLSA-N 1 0 315.211 1.982 10 0 DDAERO CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CCN(S(C)(=O)=O)CC1 ZINC000062083853 184204999 /nfs/dbraw/zinc/20/49/99/184204999.db2.gz HSVCECLSKLLJCC-KKUMJFAQSA-N 1 0 317.499 1.120 10 0 DDAERO CC[C@H]([NH3+])[C@@H](c1ccsc1)N1CCN(S(C)(=O)=O)CC1 ZINC000062081593 184205041 /nfs/dbraw/zinc/20/50/41/184205041.db2.gz RMLDBCLLLZESET-QWHCGFSZSA-N 1 0 317.480 1.104 10 0 DDAERO C[C@@H](CNC(=O)c1cccc(C(N)=S)c1)C[NH+]1CCCC1 ZINC000062079883 184205070 /nfs/dbraw/zinc/20/50/70/184205070.db2.gz LCWDFZGZWZZYDL-LBPRGKRZSA-N 1 0 305.447 1.783 10 0 DDAERO Cc1ccsc1[C@@H]([C@H](C)[NH3+])N1CCN(S(C)(=O)=O)CC1 ZINC000062081751 184205124 /nfs/dbraw/zinc/20/51/24/184205124.db2.gz JUNBAIXZQMGKFB-NWDGAFQWSA-N 1 0 317.480 1.022 10 0 DDAERO CCN(CC(F)(F)F)c1c(C[NH2+]CCOC)c(C)nn1C ZINC000062737856 184252242 /nfs/dbraw/zinc/25/22/42/184252242.db2.gz JJZLCTTYKMXBHS-UHFFFAOYSA-N 1 0 308.348 1.853 10 0 DDAERO CS(=O)(=O)c1ccc(N2CCC[N@@H+]3CCC[C@@H]3C2)c(N)c1 ZINC000062940791 184261440 /nfs/dbraw/zinc/26/14/40/184261440.db2.gz WIOPRCCOQHIGSG-GFCCVEGCSA-N 1 0 309.435 1.347 10 0 DDAERO COc1ccc(C)cc1S(=O)(=O)NOCC[NH+]1CCCC1 ZINC000062578389 184244279 /nfs/dbraw/zinc/24/42/79/184244279.db2.gz IKJZWZXEUAYVNR-UHFFFAOYSA-N 1 0 314.407 1.309 10 0 DDAERO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)N(C)Cc1ccccc1 ZINC000063194049 184277812 /nfs/dbraw/zinc/27/78/12/184277812.db2.gz TVBHQJMOTLPFAB-HIFRSBDPSA-N 1 0 311.451 1.565 10 0 DDAERO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2cc(N)ccc2Cl)C1 ZINC000062965266 184263150 /nfs/dbraw/zinc/26/31/50/184263150.db2.gz SADUYINMTVDKNT-JTQLQIEISA-N 1 0 303.815 1.247 10 0 DDAERO NC(=[NH2+])c1cc(Cl)ccc1N1CC[C@H](N2CCOCC2)C1 ZINC000062980613 184264144 /nfs/dbraw/zinc/26/41/44/184264144.db2.gz QYXHZDLSEVNYDC-LBPRGKRZSA-N 1 0 308.813 1.535 10 0 DDAERO CNc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000062984646 184265038 /nfs/dbraw/zinc/26/50/38/184265038.db2.gz KUHLMQMAXNFJRY-AWEZNQCLSA-N 1 0 309.435 1.587 10 0 DDAERO COc1ccc(OCCCS(C)(=O)=O)c(C[C@@H](C)[NH3+])c1 ZINC000063017524 184267134 /nfs/dbraw/zinc/26/71/34/184267134.db2.gz GYMPJIJOKYYKNY-LLVKDONJSA-N 1 0 301.408 1.398 10 0 DDAERO C[C@@H]1CCC[C@@](C[NH3+])(N(C)S(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000063154978 184274366 /nfs/dbraw/zinc/27/43/66/184274366.db2.gz GOCLTOHXYCETDK-HZSPNIEDSA-N 1 0 304.456 1.335 10 0 DDAERO COc1ccc(Cl)cc1Cn1nc2c(cc1=O)C[NH2+]CC2 ZINC000063169791 184275845 /nfs/dbraw/zinc/27/58/45/184275845.db2.gz 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DDAERO CC(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(C=O)o2)C1 ZINC000088541183 185255767 /nfs/dbraw/zinc/25/57/67/185255767.db2.gz IIJRDQVRJFKVCF-NSHDSACASA-N 1 0 300.380 1.101 10 0 DDAERO COCCCNS(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000088542216 185256465 /nfs/dbraw/zinc/25/64/65/185256465.db2.gz XKEZBCGIKALRHZ-UHFFFAOYSA-N 1 0 304.412 1.340 10 0 DDAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CCc1c[nH]cn1 ZINC000189556671 539253804 /nfs/dbraw/zinc/25/38/04/539253804.db2.gz SMCLVCDFQWFIET-AWEZNQCLSA-N 1 0 300.406 1.979 10 0 DDAERO C[NH2+][C@@H](Cc1ncnn1C)Cc1ccc(Br)cc1 ZINC000088581726 185258580 /nfs/dbraw/zinc/25/85/80/185258580.db2.gz OLWQTICPJLLQSD-GFCCVEGCSA-N 1 0 309.211 1.951 10 0 DDAERO COC1(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CCOCC1 ZINC000246099020 539269492 /nfs/dbraw/zinc/26/94/92/539269492.db2.gz KJFZUWVFUCIVLU-KBPBESRZSA-N 1 0 311.426 1.060 10 0 DDAERO O=S1(=O)C=C[C@H]([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000088855066 185267316 /nfs/dbraw/zinc/26/73/16/185267316.db2.gz PREUIEVIDAXZOL-CVEARBPZSA-N 1 0 306.431 1.551 10 0 DDAERO CC(C)CN(CC[NH+](C)C)S(=O)(=O)c1cccc(CO)c1 ZINC000088873135 185267427 /nfs/dbraw/zinc/26/74/27/185267427.db2.gz XPOQFCBRQQGLFQ-UHFFFAOYSA-N 1 0 314.451 1.387 10 0 DDAERO CCOC(=O)CS(=O)(=O)C[C@H]([NH2+]C)c1cc(C)ccc1C ZINC000081977877 192349638 /nfs/dbraw/zinc/34/96/38/192349638.db2.gz UJJOYYSCWJARMY-AWEZNQCLSA-N 1 0 313.419 1.542 10 0 DDAERO Cc1ccc([C@@H]([NH3+])C[S@](=O)CCS(C)(=O)=O)c(C)c1 ZINC000081992766 192351949 /nfs/dbraw/zinc/35/19/49/192351949.db2.gz MKXUOOIILKCOJF-UGSOOPFHSA-N 1 0 303.449 1.097 10 0 DDAERO CCOC(=O)CS(=O)(=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH2+]C ZINC000082010004 192353065 /nfs/dbraw/zinc/35/30/65/192353065.db2.gz MAFRROCPZAWLKY-FRRDWIJNSA-N 1 0 319.467 1.767 10 0 DDAERO CCC[NH2+][C@@H](CCC)[C@H](CC)S(=O)(=O)CC(=O)OCC ZINC000082009994 192353298 /nfs/dbraw/zinc/35/32/98/192353298.db2.gz PQXPJNJMTVQXST-STQMWFEESA-N 1 0 307.456 1.911 10 0 DDAERO CCN(Cc1cc(Br)c(O)c(OC)c1)C1C[NH2+]C1 ZINC000090290763 185289502 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C[NH2+][C@@H](C[S@@](=O)CCCOC)c1ccc(OC)cc1OC ZINC000081999608 192353644 /nfs/dbraw/zinc/35/36/44/192353644.db2.gz BQGPQIAFKPZTJX-LHSJRXKWSA-N 1 0 315.435 1.750 10 0 DDAERO C[NH2+]Cc1ccccc1S(=O)(=O)NCc1c(C)noc1C ZINC000092344173 185313321 /nfs/dbraw/zinc/31/33/21/185313321.db2.gz XZINPFPFVLUVHC-UHFFFAOYSA-N 1 0 309.391 1.489 10 0 DDAERO Cc1noc(C)c1[C@H](C)NS(=O)(=O)CCC[NH2+]C1CC1 ZINC000092344120 185313337 /nfs/dbraw/zinc/31/33/37/185313337.db2.gz NVYCOVQZLZCQRX-JTQLQIEISA-N 1 0 301.412 1.414 10 0 DDAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C)CC2 ZINC000092389918 185315733 /nfs/dbraw/zinc/31/57/33/185315733.db2.gz SZPQYGDNGMAAQH-NWDGAFQWSA-N 1 0 306.391 1.224 10 0 DDAERO CCNc1cc[nH+]c(CN2CCSC[C@H]2S(C)(=O)=O)c1 ZINC000092419461 185317152 /nfs/dbraw/zinc/31/71/52/185317152.db2.gz PDYIJXALPQNYCS-CYBMUJFWSA-N 1 0 315.464 1.433 10 0 DDAERO O=C(/C=C\c1cnc2ccccc2n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000255161431 282238332 /nfs/dbraw/zinc/23/83/32/282238332.db2.gz 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320.433 1.585 10 0 DDAERO CC(C)CCO[C@@H]1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000236755003 201995211 /nfs/dbraw/zinc/99/52/11/201995211.db2.gz DYXBRIXNUQVHLY-ZIAGYGMSSA-N 1 0 300.468 1.745 10 0 DDAERO [NH3+]C[C@H]1CCCN(c2ncc(I)cn2)C1 ZINC000126173318 354052058 /nfs/dbraw/zinc/05/20/58/354052058.db2.gz GIERXZBMIWPAJG-MRVPVSSYSA-N 1 0 318.162 1.256 10 0 DDAERO C[NH+](C)C[C@@H](NC(=O)COC[C@H]1CCCO1)c1ccccc1 ZINC000126309804 354052923 /nfs/dbraw/zinc/05/29/23/354052923.db2.gz DDKHMRULQUDZAF-HZPDHXFCSA-N 1 0 306.406 1.601 10 0 DDAERO C[NH2+]C[C@@H](O)c1ncc(Br)cc1Br ZINC000130119476 354089158 /nfs/dbraw/zinc/08/91/58/354089158.db2.gz ZCSKVCLBVLGMFU-SSDOTTSWSA-N 1 0 309.989 1.859 10 0 DDAERO CC(C)COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(N)=O)cc1 ZINC000131502753 354100485 /nfs/dbraw/zinc/10/04/85/354100485.db2.gz UTNYXGFXJCHRIY-NWDGAFQWSA-N 1 0 307.394 1.955 10 0 DDAERO CN([C@H]1CCC[NH2+]CC1)S(=O)(=O)c1cc(F)ccc1F ZINC000226465092 354319945 /nfs/dbraw/zinc/31/99/45/354319945.db2.gz 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CCC[NH2+]CCCCS(=O)(=O)N(CCOC)[C@@H](C)C1CC1 ZINC000089006810 192692974 /nfs/dbraw/zinc/69/29/74/192692974.db2.gz ODGNIYBTKHXKOF-AWEZNQCLSA-N 1 0 320.499 1.843 10 0 DDAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(N2CCOC2=O)cc1 ZINC000180489604 199166046 /nfs/dbraw/zinc/16/60/46/199166046.db2.gz XWGURGPRENVQPA-XJKSGUPXSA-N 1 0 319.405 1.624 10 0 DDAERO CC[NH2+]CCCCS(=O)(=O)N(C)c1cccc(OC)c1 ZINC000089014919 192700466 /nfs/dbraw/zinc/70/04/66/192700466.db2.gz RTVBFJBVCSJACK-UHFFFAOYSA-N 1 0 300.424 1.851 10 0 DDAERO CCC[NH2+]CCCS(=O)(=O)N1CCN(C)c2ccccc21 ZINC000089037767 192714122 /nfs/dbraw/zinc/71/41/22/192714122.db2.gz CIIWOGPSTUKWSC-UHFFFAOYSA-N 1 0 311.451 1.662 10 0 DDAERO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000089091694 192723752 /nfs/dbraw/zinc/72/37/52/192723752.db2.gz HACTVSHDZAADAT-UFBFGSQYSA-N 1 0 306.790 1.885 10 0 DDAERO Cc1nn(C)c(C)c1S(=O)(=O)NC[C@H]1CCCC[C@H]1C[NH3+] ZINC000089532127 192811721 /nfs/dbraw/zinc/81/17/21/192811721.db2.gz XDJLOKONVGKADF-QWHCGFSZSA-N 1 0 314.455 1.080 10 0 DDAERO CC[NH2+]C[C@@]1(CN2CCS(=O)(=O)CC2)CCC[C@H](C)C1 ZINC000089616386 192827292 /nfs/dbraw/zinc/82/72/92/192827292.db2.gz QNPIKKRBBGLSCY-LSDHHAIUSA-N 1 0 302.484 1.523 10 0 DDAERO O=C(C[C@H]1CC[NH2+]C1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000089741916 192854861 /nfs/dbraw/zinc/85/48/61/192854861.db2.gz YADGRENMKMBLJD-SNVBAGLBSA-N 1 0 305.769 1.859 10 0 DDAERO FC(F)(F)CN1CCC([NH2+]Cc2nnc3ccccn32)CC1 ZINC000237856846 202372204 /nfs/dbraw/zinc/37/22/04/202372204.db2.gz XLERHJGLZSBQDW-UHFFFAOYSA-N 1 0 313.327 1.846 10 0 DDAERO O[C@H](C[NH+]1CCC(Nc2cccnn2)CC1)CC(F)(F)F ZINC000189138322 200354681 /nfs/dbraw/zinc/35/46/81/200354681.db2.gz VMOBFEWIHDIXIH-NSHDSACASA-N 1 0 304.316 1.666 10 0 DDAERO CCC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000193450723 201053907 /nfs/dbraw/zinc/05/39/07/201053907.db2.gz WHWTZXJMFSMBTO-SMDDNHRTSA-N 1 0 310.419 1.698 10 0 DDAERO C[NH2+][C@@H]1CCCN(c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000053204851 283660078 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CCS(=O)(=O)[C@@H]1CSCCN1Cc1ccccc1C[NH3+] ZINC000090926638 192948926 /nfs/dbraw/zinc/94/89/26/192948926.db2.gz KAWZSNXYXZESAK-CQSZACIVSA-N 1 0 314.476 1.455 10 0 DDAERO CCS(=O)(=O)[C@H]1CSCCN1c1ccc(CC[NH3+])cc1 ZINC000090928782 192951170 /nfs/dbraw/zinc/95/11/70/192951170.db2.gz MIRWWYLNZNEFEA-AWEZNQCLSA-N 1 0 314.476 1.502 10 0 DDAERO CS(=O)(=O)c1ccc(CNCC[C@H]2CSCC[NH2+]2)cc1 ZINC000091292206 193032594 /nfs/dbraw/zinc/03/25/94/193032594.db2.gz OCHVGOGICIWJJE-ZDUSSCGKSA-N 1 0 314.476 1.275 10 0 DDAERO CCC1CCC(O)(CNC(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000091291731 193033530 /nfs/dbraw/zinc/03/35/30/193033530.db2.gz PSDKEKVTHMUFRP-OWYJLGKBSA-N 1 0 300.468 1.529 10 0 DDAERO [NH3+]C[C@@H](CC(=O)NC1CC1)Nc1ccc(Br)cc1 ZINC000091320219 193037735 /nfs/dbraw/zinc/03/77/35/193037735.db2.gz IDMIUJGFSNTNCF-GFCCVEGCSA-N 1 0 312.211 1.857 10 0 DDAERO [NH3+]CCCn1nnnc1-c1cc(F)cc(Br)c1 ZINC000091331871 193041333 /nfs/dbraw/zinc/04/13/33/193041333.db2.gz CXGBBVSBJQUNEF-UHFFFAOYSA-N 1 0 300.135 1.591 10 0 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COc1cc(Br)c(CCOCC[NH3+])c(OC)c1 ZINC000094652305 193390705 /nfs/dbraw/zinc/39/07/05/193390705.db2.gz HANZDDUTCXZQND-UHFFFAOYSA-N 1 0 304.184 1.984 10 0 DDAERO CC(C)[NH2+]C[C@H](Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 ZINC000094688047 193391582 /nfs/dbraw/zinc/39/15/82/193391582.db2.gz YIWCNIMRDHWMGE-GJZGRUSLSA-N 1 0 311.447 1.984 10 0 DDAERO CC(C)[NH2+]C[C@@H](Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000094688044 193391621 /nfs/dbraw/zinc/39/16/21/193391621.db2.gz YIWCNIMRDHWMGE-HUUCEWRRSA-N 1 0 311.447 1.984 10 0 DDAERO C[C@H]1SCCC[C@@H]1[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000094477790 193372515 /nfs/dbraw/zinc/37/25/15/193372515.db2.gz RVARTYAANGIJCU-MFKMUULPSA-N 1 0 300.449 1.708 10 0 DDAERO Cc1ccsc1CNS(=O)(=O)N1CCCC[C@@H]1C[NH3+] ZINC000094886795 193405316 /nfs/dbraw/zinc/40/53/16/193405316.db2.gz BCHBDGZQLLKDIU-LLVKDONJSA-N 1 0 303.453 1.204 10 0 DDAERO COC(=O)[C@@](C)(NCC[NH+](C)C)c1cc(F)c(C)cc1F ZINC000094737630 193393893 /nfs/dbraw/zinc/39/38/93/193393893.db2.gz HTZGRXBYNSWADQ-HNNXBMFYSA-N 1 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DDAERO COc1cccc(C[C@@H](C)NC(=O)[C@H]([NH3+])C2CCOCC2)c1 ZINC000261712084 407590062 /nfs/dbraw/zinc/59/00/62/407590062.db2.gz IUUCJOXDSCZNEB-MLGOLLRUSA-N 1 0 306.406 1.496 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCc1cnn(C)c1 ZINC000113612415 407519945 /nfs/dbraw/zinc/51/99/45/407519945.db2.gz MAFGNTRAZDHGCZ-UKRRQHHQSA-N 1 0 305.426 1.231 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000170861610 407532965 /nfs/dbraw/zinc/53/29/65/407532965.db2.gz NVARVKXWXAVSOK-HNNXBMFYSA-N 1 0 301.390 1.590 10 0 DDAERO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCOCC2)cc1OC ZINC000128524870 407545648 /nfs/dbraw/zinc/54/56/48/407545648.db2.gz PEPPXYPVDWBXDN-UKRRQHHQSA-N 1 0 324.421 1.048 10 0 DDAERO CN(Cc1noc(CN)n1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261748434 407601939 /nfs/dbraw/zinc/60/19/39/407601939.db2.gz NEKXUFLGXSONGE-HNNXBMFYSA-N 1 0 315.421 1.482 10 0 DDAERO CSc1ccc(F)cc1CNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261758017 407604850 /nfs/dbraw/zinc/60/48/50/407604850.db2.gz LOLNAKWQPQQVOU-AWEZNQCLSA-N 1 0 312.410 1.918 10 0 DDAERO Cc1ccn(C)c(=O)c1NC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000129720321 407622594 /nfs/dbraw/zinc/62/25/94/407622594.db2.gz LKKXBOBZFWBUEL-CQSZACIVSA-N 1 0 320.437 1.936 10 0 DDAERO CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)CC2 ZINC000114862712 407629376 /nfs/dbraw/zinc/62/93/76/407629376.db2.gz BIAPEJBNPGXXFY-STQMWFEESA-N 1 0 305.426 1.146 10 0 DDAERO CN(C)C(=O)c1cc(NC(=O)[C@H]([NH3+])C2CCOCC2)ccc1F ZINC000261829962 407631481 /nfs/dbraw/zinc/63/14/81/407631481.db2.gz IFNCHRRTPKHJSP-CQSZACIVSA-N 1 0 323.368 1.220 10 0 DDAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C[C@@H]2COCCO2)C1 ZINC000227658093 407634700 /nfs/dbraw/zinc/63/47/00/407634700.db2.gz XMVLAUQVHIYRCO-ZIAGYGMSSA-N 1 0 314.426 1.639 10 0 DDAERO [NH3+][C@H]1CN(c2ccc(Br)cc2Br)C1=O ZINC000227621373 407635612 /nfs/dbraw/zinc/63/56/12/407635612.db2.gz MBRWNFAGBPNOEV-ZETCQYMHSA-N 1 0 319.984 1.886 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](c3cc[nH]n3)C2)C1 ZINC000114940374 407643164 /nfs/dbraw/zinc/64/31/64/407643164.db2.gz VFJDUKXJNGWMCP-UONOGXRCSA-N 1 0 305.426 1.783 10 0 DDAERO COc1ccc(C[C@H](C)NC(=O)C2([NH3+])CCOCC2)cc1OC ZINC000261857701 407644242 /nfs/dbraw/zinc/64/42/42/407644242.db2.gz MYQASKIVGCYGDW-LBPRGKRZSA-N 1 0 322.405 1.259 10 0 DDAERO c1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)OCCO2 ZINC000261871946 407650167 /nfs/dbraw/zinc/65/01/67/407650167.db2.gz DGVJWEOWMWNGGH-XHSDSOJGSA-N 1 0 318.417 1.705 10 0 DDAERO C[C@H](CNC(=O)C1([NH3+])CCOCC1)N1CCc2ccccc21 ZINC000261914974 407668227 /nfs/dbraw/zinc/66/82/27/407668227.db2.gz UEVDXWQKWZOGQW-CYBMUJFWSA-N 1 0 303.406 1.062 10 0 DDAERO CCS[C@@H]1CCC[C@@H](NC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000261914436 407669325 /nfs/dbraw/zinc/66/93/25/407669325.db2.gz JNIFGBVODZWLET-CHWSQXEVSA-N 1 0 300.468 1.922 10 0 DDAERO CCN(CCNC(=O)[C@@H]([NH3+])C1CCOCC1)c1cccc(C)c1 ZINC000261929473 407675571 /nfs/dbraw/zinc/67/55/71/407675571.db2.gz ZRIIBKQYCJBEOP-KRWDZBQOSA-N 1 0 319.449 1.691 10 0 DDAERO COc1c(C[N@@H+]2CCSC3(CCOCC3)C2)c(C)nn1C ZINC000186481857 407679311 /nfs/dbraw/zinc/67/93/11/407679311.db2.gz HYMYOLNBWAPNQR-UHFFFAOYSA-N 1 0 311.451 1.835 10 0 DDAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)OC(C)(C)C ZINC000115462786 407684094 /nfs/dbraw/zinc/68/40/94/407684094.db2.gz XTNFEYYUIRHOHE-AWEZNQCLSA-N 1 0 306.406 1.617 10 0 DDAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCNC(=O)C(C)(C)C ZINC000171615723 407719878 /nfs/dbraw/zinc/71/98/78/407719878.db2.gz IFIWVAJEFPVDQX-HNNXBMFYSA-N 1 0 319.449 1.438 10 0 DDAERO CCOC(=O)c1cc2cc(NC(=O)[C@@H]([NH3+])COC)ccc2s1 ZINC000262036512 407720259 /nfs/dbraw/zinc/72/02/59/407720259.db2.gz FRKDDZIQGGZXFW-NSHDSACASA-N 1 0 322.386 1.990 10 0 DDAERO [NH3+]C1(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)CCOCC1 ZINC000261900723 407664350 /nfs/dbraw/zinc/66/43/50/407664350.db2.gz RPWXNDOPVLADJV-AWEZNQCLSA-N 1 0 306.362 1.301 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)n[nH]2)CCO1 ZINC000116784319 407776409 /nfs/dbraw/zinc/77/64/09/407776409.db2.gz UFGTYHWQIAPGTR-CQSZACIVSA-N 1 0 314.389 1.479 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC(=O)NC2CCCCC2)C1 ZINC000132177704 407769618 /nfs/dbraw/zinc/76/96/18/407769618.db2.gz GZOFFXWHVPXUJZ-HIFRSBDPSA-N 1 0 324.469 1.463 10 0 DDAERO C[C@H](Cc1cccc(F)c1)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116793318 407780861 /nfs/dbraw/zinc/78/08/61/407780861.db2.gz HFTUSWKFLILZMZ-CJNGLKHVSA-N 1 0 308.397 1.793 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)CSCc2ccncc2)CCO1 ZINC000116793283 407781084 /nfs/dbraw/zinc/78/10/84/407781084.db2.gz ZPSQPVDGZYFFRS-CQSZACIVSA-N 1 0 309.435 1.104 10 0 DDAERO COc1ccc(OC)c(CC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000116796036 407781164 /nfs/dbraw/zinc/78/11/64/407781164.db2.gz AFEVLMQYPDCMPD-OAHLLOKOSA-N 1 0 322.405 1.035 10 0 DDAERO C[C@@H](CNC(=O)C1(C[NH3+])CCOCC1)c1ccc(F)cc1F ZINC000262280278 407781251 /nfs/dbraw/zinc/78/12/51/407781251.db2.gz NVJZQLPWRYIFAY-NSHDSACASA-N 1 0 312.360 1.940 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1 ZINC000262271332 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CC[C@@H]1CN(C(=O)/C=C/c2ccc(O)cc2)CC[N@@H+]1C[C@H](C)O ZINC000248391921 282080621 /nfs/dbraw/zinc/08/06/21/282080621.db2.gz JTONIWHASQURCM-BILQUBDUSA-N 1 0 318.417 1.709 10 0 DDAERO CN(C)c1nnc(S[C@H]2CC3(CC[C@H]2[NH3+])OCCO3)s1 ZINC000081769379 192323424 /nfs/dbraw/zinc/32/34/24/192323424.db2.gz FJVIABUAOJSNMD-BDAKNGLRSA-N 1 0 316.452 1.319 10 0 DDAERO C[NH2+][C@@H]1CCC2(C[C@H]1Sc1nc(C)cc(=O)[nH]1)OCCO2 ZINC000081868716 192332712 /nfs/dbraw/zinc/33/27/12/192332712.db2.gz OMNWMJHSKUYOKR-GHMZBOCLSA-N 1 0 311.407 1.054 10 0 DDAERO COc1ccc(C[NH3+])cc1CSc1n[nH]c(=O)n1C(C)C ZINC000081879434 192334271 /nfs/dbraw/zinc/33/42/71/192334271.db2.gz SNAKVJRHKTWDIG-UHFFFAOYSA-N 1 0 308.407 1.912 10 0 DDAERO [NH3+]CCSCC(=O)NC1=NN=C(c2ccccc2)CS1 ZINC000096751729 185386207 /nfs/dbraw/zinc/38/62/07/185386207.db2.gz SFLDZLBODAOUEK-UHFFFAOYSA-N 1 0 308.432 1.302 10 0 DDAERO CCC[NH2+][C@@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(OC)cc1 ZINC000081923253 192339782 /nfs/dbraw/zinc/33/97/82/192339782.db2.gz AGGSQVOPLVASGA-CABCVRRESA-N 1 0 313.419 1.626 10 0 DDAERO CC[NH2+][C@H]1CCOC[C@H]1S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000081930843 192340644 /nfs/dbraw/zinc/34/06/44/192340644.db2.gz OLNXZAJUTQDUOE-JKSUJKDBSA-N 1 0 309.431 1.716 10 0 DDAERO CCC[C@H](CC[NH3+])CCC(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000079242597 185162225 /nfs/dbraw/zinc/16/22/25/185162225.db2.gz VYEWUODPNLYHTP-QWHCGFSZSA-N 1 0 304.456 1.225 10 0 DDAERO CCC[C@@H](CC[NH3+])CCC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000079238175 185162257 /nfs/dbraw/zinc/16/22/57/185162257.db2.gz KPMHSYVHCNQUMG-KGLIPLIRSA-N 1 0 318.483 1.567 10 0 DDAERO NNc1[nH+]cc(Br)cc1C(=O)N[C@@H]1CCCOC1 ZINC000082431650 185181855 /nfs/dbraw/zinc/18/18/55/185181855.db2.gz UDSHOQVCOZSTOJ-MRVPVSSYSA-N 1 0 315.171 1.039 10 0 DDAERO CC[C@H](C[NH3+])NS(=O)(=O)c1cc(C(=O)OC)ccc1Cl ZINC000087386469 185223387 /nfs/dbraw/zinc/22/33/87/185223387.db2.gz JTBAGISKTNULBI-SECBINFHSA-N 1 0 320.798 1.142 10 0 DDAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)NCc1sccc1Br ZINC000087575727 185228626 /nfs/dbraw/zinc/22/86/26/185228626.db2.gz TWPGGOZRBYUECF-SFYZADRCSA-N 1 0 303.225 1.982 10 0 DDAERO CCOC(=O)[C@@H]1CSCCN1C(=O)[C@@H](C)CCC[C@@H](C)[NH3+] ZINC000087695507 185230777 /nfs/dbraw/zinc/23/07/77/185230777.db2.gz KRIOKVMHHVCCRC-XQQFMLRXSA-N 1 0 316.467 1.647 10 0 DDAERO Cc1nnc(SCC(=O)NCc2cccs2)n1CC[NH3+] ZINC000087711536 185230873 /nfs/dbraw/zinc/23/08/73/185230873.db2.gz FGJBDHLBKNMVTF-UHFFFAOYSA-N 1 0 311.436 1.015 10 0 DDAERO CCC[NH2+][C@@H]1CCCCC[C@@H]1S(=O)(=O)CC(=O)OCC ZINC000081977693 192347848 /nfs/dbraw/zinc/34/78/48/192347848.db2.gz GBFPBFPIFXMMET-OLZOCXBDSA-N 1 0 305.440 1.665 10 0 DDAERO CC[C@H](CCO)CNc1nc(NN)[nH+]cc1Br ZINC000087895973 185235670 /nfs/dbraw/zinc/23/56/70/185235670.db2.gz JCVYHVZWPRUJHZ-SSDOTTSWSA-N 1 0 304.192 1.345 10 0 DDAERO O=S(=O)(NCc1ccccc1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000088056767 185238169 /nfs/dbraw/zinc/23/81/69/185238169.db2.gz OBHOIBAUBCOLHA-SNVBAGLBSA-N 1 0 308.325 1.487 10 0 DDAERO [NH3+]CC[S@](=O)CC(=O)Nc1ccc(Br)cc1 ZINC000088062846 185238551 /nfs/dbraw/zinc/23/85/51/185238551.db2.gz JDIUGTGTXQNSTJ-MRXNPFEDSA-N 1 0 305.197 1.095 10 0 DDAERO O[C@@H](COc1cccc(Br)c1)CN1CC[NH2+]CC1 ZINC000088061549 185238738 /nfs/dbraw/zinc/23/87/38/185238738.db2.gz KHWJPLFQFGLVNP-GFCCVEGCSA-N 1 0 315.211 1.094 10 0 DDAERO Cc1nn(C)c(C[S@](=O)[C@@H](C)CC[NH3+])c1Br ZINC000088087922 185239321 /nfs/dbraw/zinc/23/93/21/185239321.db2.gz MDYGGZKTIRXEQP-HYORBCNSSA-N 1 0 308.245 1.477 10 0 DDAERO CC[NH2+][C@H]1CC(C)(C)Cc2c1cnn2[C@@H]1CCS(=O)(=O)C1 ZINC000087861951 185233803 /nfs/dbraw/zinc/23/38/03/185233803.db2.gz PRQRYSGITMWPGY-YPMHNXCESA-N 1 0 311.451 1.866 10 0 DDAERO CCC[NH2+][C@H]1CCCc2nc(N3CCCNC(=O)C3)sc21 ZINC000087885610 185234279 /nfs/dbraw/zinc/23/42/79/185234279.db2.gz LWYYFLGPHLERHJ-NSHDSACASA-N 1 0 308.451 1.846 10 0 DDAERO CC1(C)C[NH2+]CCN1CC(=O)NCCSc1ccccc1 ZINC000088140172 185240695 /nfs/dbraw/zinc/24/06/95/185240695.db2.gz VOCZAQDCKRVQEE-UHFFFAOYSA-N 1 0 307.463 1.579 10 0 DDAERO O=S(=O)(CC[C@@H]1CCCO1)N1CCN2CCCC[C@H]2C1 ZINC000177520511 539230556 /nfs/dbraw/zinc/23/05/56/539230556.db2.gz XEZWFRNZZUSSPS-KBPBESRZSA-N 1 0 302.440 1.055 10 0 DDAERO CN(C)S(=O)(=O)c1ccc(-c2c[nH]c(C(C)(C)[NH3+])n2)cc1 ZINC000088131152 185240391 /nfs/dbraw/zinc/24/03/91/185240391.db2.gz IXPYOXLZDSNIQM-UHFFFAOYSA-N 1 0 308.407 1.521 10 0 DDAERO COCC[C@H]([NH3+])C(=O)Nc1c2nsnc2ccc1Cl ZINC000088126417 185240418 /nfs/dbraw/zinc/24/04/18/185240418.db2.gz CTQTXYJULAYJJY-ZETCQYMHSA-N 1 0 300.771 1.647 10 0 DDAERO [NH3+]C[C@]1(N2CCCCc3ccccc32)CCCS(=O)(=O)C1 ZINC000088332941 185246140 /nfs/dbraw/zinc/24/61/40/185246140.db2.gz ZUJHMGUNZYDNGP-MRXNPFEDSA-N 1 0 308.447 1.735 10 0 DDAERO CCC[NH2+][C@H]1CCCCC[C@@H]1S(=O)(=O)CC(=O)OCC ZINC000081977697 192348437 /nfs/dbraw/zinc/34/84/37/192348437.db2.gz GBFPBFPIFXMMET-STQMWFEESA-N 1 0 305.440 1.665 10 0 DDAERO C[C@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCCO1 ZINC000183231644 539241469 /nfs/dbraw/zinc/24/14/69/539241469.db2.gz JIGIUZPDPIGTPF-SRVKXCTJSA-N 1 0 308.344 1.944 10 0 DDAERO CC[C@@H](C[NH3+])S(=O)(=O)NCc1ccccc1C(F)(F)F ZINC000088473893 185252316 /nfs/dbraw/zinc/25/23/16/185252316.db2.gz OWBYBICSGLBKRU-JTQLQIEISA-N 1 0 310.341 1.862 10 0 DDAERO O=S1(=O)CC[C@@H]([NH2+]CCN2CCC(C(F)(F)F)CC2)C1 ZINC000088438326 185250710 /nfs/dbraw/zinc/25/07/10/185250710.db2.gz FISGKYCMXMVHMS-LLVKDONJSA-N 1 0 314.373 1.037 10 0 DDAERO C[NH+](C)CC1CCN(S(=O)(=O)c2ccc(C=O)o2)CC1 ZINC000088541468 185255582 /nfs/dbraw/zinc/25/55/82/185255582.db2.gz FLEBPGWWNWTKBT-UHFFFAOYSA-N 1 0 300.380 1.054 10 0 DDAERO CN1CC[C@@H](NS(=O)(=O)c2ccc(C[NH2+]C(C)(C)C)o2)C1 ZINC000088543118 185256046 /nfs/dbraw/zinc/25/60/46/185256046.db2.gz FXCYICVWRXWQMA-LLVKDONJSA-N 1 0 315.439 1.150 10 0 DDAERO C[NH+](C)CC(C)(C)CNC(=O)c1sc2nccnc2c1N ZINC000088639302 185260505 /nfs/dbraw/zinc/26/05/05/185260505.db2.gz YXAYXZWOFAFAMB-UHFFFAOYSA-N 1 0 307.423 1.591 10 0 DDAERO CC[NH+](CC)CCCNC(=O)c1sc2nccnc2c1N ZINC000088639506 185260626 /nfs/dbraw/zinc/26/06/26/185260626.db2.gz JPGDYMHUXZEDLP-UHFFFAOYSA-N 1 0 307.423 1.735 10 0 DDAERO C[NH2+]C[C@H]1CCCN(C(=O)c2sc3nccnc3c2N)C1 ZINC000088641330 185261125 /nfs/dbraw/zinc/26/11/25/185261125.db2.gz DTHWYQFBALQDNR-SECBINFHSA-N 1 0 305.407 1.345 10 0 DDAERO Cc1nnc2sc(C(=O)N3CC[C@@H](C[NH3+])C3)c(N)c2c1C ZINC000088642735 185261275 /nfs/dbraw/zinc/26/12/75/185261275.db2.gz QAPANLGGPPLQLH-VIFPVBQESA-N 1 0 305.407 1.311 10 0 DDAERO C[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[NH2+]C[C@@H]1C(N)=O ZINC000088659564 185261723 /nfs/dbraw/zinc/26/17/23/185261723.db2.gz CZZVTUMECQDHPF-QPUJVOFHSA-N 1 0 302.205 1.814 10 0 DDAERO CCC[NH2+]CCCc1nnc(C(C)(C)S(C)(=O)=O)s1 ZINC000088812350 185266326 /nfs/dbraw/zinc/26/63/26/185266326.db2.gz NHABPPTZAJPUDO-UHFFFAOYSA-N 1 0 305.469 1.750 10 0 DDAERO CCCN(CC[NH+](C)C)S(=O)(=O)c1ccc(CO)s1 ZINC000088895191 185270068 /nfs/dbraw/zinc/27/00/68/185270068.db2.gz DQVKQYBRRPACAQ-UHFFFAOYSA-N 1 0 306.453 1.203 10 0 DDAERO [NH3+][C@H](CS(=O)(=O)C1CCOCC1)c1ccc2c(c1)OCO2 ZINC000081989569 192350641 /nfs/dbraw/zinc/35/06/41/192350641.db2.gz UGVZWKHZPORZDY-GFCCVEGCSA-N 1 0 313.375 1.009 10 0 DDAERO C[NH2+][C@@H]1CCC[C@@H]1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000081990673 192351070 /nfs/dbraw/zinc/35/10/70/192351070.db2.gz HQHVAYHOONOARP-OLZOCXBDSA-N 1 0 317.432 1.004 10 0 DDAERO O=C1CC[C@H]([NH2+]C[C@H](O)c2cc(Cl)ccc2Cl)C(=O)N1 ZINC000090016436 185278395 /nfs/dbraw/zinc/27/83/95/185278395.db2.gz KYRPWXHEAXVDNI-QWRGUYRKSA-N 1 0 317.172 1.422 10 0 DDAERO C[C@@](O)(CO)C[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000090285870 185289430 /nfs/dbraw/zinc/28/94/30/185289430.db2.gz KXJBAOIQIPLBQZ-KGLIPLIRSA-N 1 0 314.223 1.639 10 0 DDAERO Brc1ccc(CN2CCN(C3C[NH2+]C3)CC2)cc1 ZINC000090306602 185290171 /nfs/dbraw/zinc/29/01/71/185290171.db2.gz FLULBFAUDQQOKG-UHFFFAOYSA-N 1 0 310.239 1.539 10 0 DDAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1ccccc1Cl ZINC000090331717 185291291 /nfs/dbraw/zinc/29/12/91/185291291.db2.gz HLKBJFWQUAETPS-NTZNESFSSA-N 1 0 314.838 1.959 10 0 DDAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1c1ccc(S(=O)(=O)NC)cc1 ZINC000090333763 185291524 /nfs/dbraw/zinc/29/15/24/185291524.db2.gz VNLAKTHHCZVRQU-BYCMXARLSA-N 1 0 309.435 1.029 10 0 DDAERO CNS(=O)(=O)c1ccc(N2C[C@@H]3C[NH2+]C[C@@H]3C2(C)C)cc1 ZINC000090338628 185291766 /nfs/dbraw/zinc/29/17/66/185291766.db2.gz LECSRMZZAXXEEH-FZMZJTMJSA-N 1 0 309.435 1.029 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)CC1CCCCC1 ZINC000090336970 185291818 /nfs/dbraw/zinc/29/18/18/185291818.db2.gz PNMPHFXFDSGVNT-KGLIPLIRSA-N 1 0 300.468 1.826 10 0 DDAERO Cc1ccc(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@@H]3C2(C)C)cc1F ZINC000090336947 185292004 /nfs/dbraw/zinc/29/20/04/185292004.db2.gz BLNJUMNAWGKPAX-AAEUAGOBSA-N 1 0 312.410 1.753 10 0 DDAERO C[C@@H](CC[NH3+])SCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000090355070 185292350 /nfs/dbraw/zinc/29/23/50/185292350.db2.gz WEXVKKNJIQXEPO-NSHDSACASA-N 1 0 302.465 1.907 10 0 DDAERO COC(=O)c1ccc(Cl)cc1NC(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090585838 185305054 /nfs/dbraw/zinc/30/50/54/185305054.db2.gz ZVYLXIULEZPZNK-BXUZGUMPSA-N 1 0 312.753 1.429 10 0 DDAERO CNC(=O)c1cc(NC(=O)[C@@]2(C)COC[C@H]2[NH3+])ccc1Cl ZINC000090590016 185305573 /nfs/dbraw/zinc/30/55/73/185305573.db2.gz BNEGFWKGENOFEB-RISCZKNCSA-N 1 0 311.769 1.002 10 0 DDAERO C[NH+](C)C[C@@H]1CSCCCN1S(=O)(=O)c1cccs1 ZINC000090700304 185310515 /nfs/dbraw/zinc/31/05/15/185310515.db2.gz JHCCVGKWDNMEEU-LLVKDONJSA-N 1 0 320.505 1.806 10 0 DDAERO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@H](C)C[NH2+]C1CC1 ZINC000092320376 185312146 /nfs/dbraw/zinc/31/21/46/185312146.db2.gz ANVSBLAELCUQLX-QMTHXVAHSA-N 1 0 311.451 1.715 10 0 DDAERO Cc1nn([C@]2(C)CCS(=O)(=O)C2)c(C)c1CC[NH2+]C(C)C ZINC000092321867 185312351 /nfs/dbraw/zinc/31/23/51/185312351.db2.gz OZIQTQSJTDFXDW-OAHLLOKOSA-N 1 0 313.467 1.574 10 0 DDAERO COCC[NH2+]CC(=O)Nc1ccc(OC)c(OC(F)F)c1 ZINC000092495590 185322313 /nfs/dbraw/zinc/32/23/13/185322313.db2.gz PUBRJTVTRAVEMW-UHFFFAOYSA-N 1 0 304.293 1.471 10 0 DDAERO COCC[NH2+]CC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000092495303 185322315 /nfs/dbraw/zinc/32/23/15/185322315.db2.gz GEPQOYZVIKBOBJ-JTQLQIEISA-N 1 0 315.211 1.862 10 0 DDAERO CCNc1cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)ccn1 ZINC000092672870 185332840 /nfs/dbraw/zinc/33/28/40/185332840.db2.gz BZVZSQADMNEJPF-LBPRGKRZSA-N 1 0 312.439 1.228 10 0 DDAERO CN(CC(=O)Nc1ccc(N)cc1Cl)C[C@@H]1CCC[N@@H+]1C ZINC000092621640 185329760 /nfs/dbraw/zinc/32/97/60/185329760.db2.gz MQVSNNBSVDEBPC-LBPRGKRZSA-N 1 0 310.829 1.887 10 0 DDAERO [NH3+]C1CCN(CC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000092713926 185335981 /nfs/dbraw/zinc/33/59/81/185335981.db2.gz SVQOJGNERQVQBN-PWSUYJOCSA-N 1 0 307.360 1.647 10 0 DDAERO CC[NH2+][C@@H]1c2cc(OC)ccc2C[C@H]1Sc1nnnn1C ZINC000092860406 185347180 /nfs/dbraw/zinc/34/71/80/185347180.db2.gz GTOAYMGVHWXATE-CHWSQXEVSA-N 1 0 305.407 1.586 10 0 DDAERO CC(C)c1cc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc(=O)[nH]1 ZINC000181386053 199289413 /nfs/dbraw/zinc/28/94/13/199289413.db2.gz JHQWCBGSQCWBPS-CYBMUJFWSA-N 1 0 307.394 1.313 10 0 DDAERO CC(C)COc1ccc([C@H](C)[NH2+]CC(=O)N2CCNC2=O)cc1 ZINC000181394815 199290481 /nfs/dbraw/zinc/29/04/81/199290481.db2.gz NXBOWYNNCMKCEG-ZDUSSCGKSA-N 1 0 319.405 1.924 10 0 DDAERO O=C(CC[NH2+]Cc1ccc(O)c(Br)c1)NC1CC1 ZINC000092986934 185350837 /nfs/dbraw/zinc/35/08/37/185350837.db2.gz OTLLDPMIPRPERL-UHFFFAOYSA-N 1 0 313.195 1.913 10 0 DDAERO Cc1nn(C)c2ncc(C(=O)N3CC[C@@H](C)C[C@@H]3C[NH3+])cc12 ZINC000261817252 282286595 /nfs/dbraw/zinc/28/65/95/282286595.db2.gz NTOPFWWMLLPCSC-ZWNOBZJWSA-N 1 0 301.394 1.476 10 0 DDAERO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCCO2)cc1 ZINC000183111679 199538344 /nfs/dbraw/zinc/53/83/44/199538344.db2.gz YNCHVZBLNGMXPZ-ABAIWWIYSA-N 1 0 305.378 1.741 10 0 DDAERO CCCCN(CC[NH3+])c1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000111374272 185589981 /nfs/dbraw/zinc/58/99/81/185589981.db2.gz WXVUYRBEUPOCPV-UHFFFAOYSA-N 1 0 313.467 1.939 10 0 DDAERO CC[C@@H]([NH3+])Cc1c(N2CCS(=O)CC2)nc2ccccn21 ZINC000111504145 185609738 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CC[C@](C)(O)C[NH+]1CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC000123634007 185827670 /nfs/dbraw/zinc/82/76/70/185827670.db2.gz PSLNKQHADVZMIS-SFHVURJKSA-N 1 0 322.449 1.982 10 0 DDAERO C[C@H]1CCC[C@@H](C[NH3+])N1S(=O)(=O)c1ccc(F)cc1F ZINC000070153907 190863764 /nfs/dbraw/zinc/86/37/64/190863764.db2.gz SQAUMEBJLOYYLL-ONGXEEELSA-N 1 0 304.362 1.855 10 0 DDAERO CCCn1cc(Br)cc1C(=O)N(C)CC[NH2+]C ZINC000070303508 190879906 /nfs/dbraw/zinc/87/99/06/190879906.db2.gz AEOGUJNVZGOZNF-UHFFFAOYSA-N 1 0 302.216 1.952 10 0 DDAERO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(Br)cn2C)C1 ZINC000071143376 190935760 /nfs/dbraw/zinc/93/57/60/190935760.db2.gz SLTRLWNQSVACEP-VIFPVBQESA-N 1 0 300.200 1.469 10 0 DDAERO C[C@H]1CCC[C@@](C[NH3+])(Nc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000071391594 190965845 /nfs/dbraw/zinc/96/58/45/190965845.db2.gz NXPXGOIPZUGSBQ-IINYFYTJSA-N 1 0 315.414 1.793 10 0 DDAERO COc1ccc([C@@H]([NH3+])C[S@@](=O)C2CCOCC2)cc1OC ZINC000084054544 192397648 /nfs/dbraw/zinc/39/76/48/192397648.db2.gz XJOYPCVUDZZYMZ-ZSEKCTLFSA-N 1 0 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C[NH2+]CC1(CN2CCSC[C@H]2S(C)(=O)=O)CCCC1 ZINC000090923662 192948526 /nfs/dbraw/zinc/94/85/26/192948526.db2.gz PVJJRTXGVKHLLO-GFCCVEGCSA-N 1 0 306.497 1.186 10 0 DDAERO CCS(=O)(=O)[C@H]1CSCCN1C[C@@H](C)C[NH2+]C(C)(C)C ZINC000090927736 192950063 /nfs/dbraw/zinc/95/00/63/192950063.db2.gz VHDVFISBICYLNR-STQMWFEESA-N 1 0 322.540 1.820 10 0 DDAERO Cc1ccc(N)c(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)c1C ZINC000091395734 193050479 /nfs/dbraw/zinc/05/04/79/193050479.db2.gz SRGPQZAAJPZSEB-CYBMUJFWSA-N 1 0 311.451 1.600 10 0 DDAERO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(CO)c2)C1 ZINC000091427541 193053647 /nfs/dbraw/zinc/05/36/47/193053647.db2.gz CHOBXTYYUQFVBZ-LBPRGKRZSA-N 1 0 316.398 1.033 10 0 DDAERO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc(CO)ccc2F)C1 ZINC000091429246 193054724 /nfs/dbraw/zinc/05/47/24/193054724.db2.gz NBLFPQZIUBVKOR-GFCCVEGCSA-N 1 0 316.398 1.033 10 0 DDAERO CSC1(C[NH3+])CCN(CC(=O)Nc2cccc(F)c2)CC1 ZINC000091471162 193060197 /nfs/dbraw/zinc/06/01/97/193060197.db2.gz 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/nfs/dbraw/zinc/16/42/45/193164245.db2.gz JAEQUDVBYCMKHU-UHFFFAOYSA-N 1 0 315.395 1.480 10 0 DDAERO CCN(CC(F)(F)F)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115981 193164279 /nfs/dbraw/zinc/16/42/79/193164279.db2.gz MNOZIXVDLJHSBB-UHFFFAOYSA-N 1 0 314.304 1.857 10 0 DDAERO CS(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)c1 ZINC000092202651 193173193 /nfs/dbraw/zinc/17/31/93/193173193.db2.gz XITVCQNSRZRRLM-BDAKNGLRSA-N 1 0 314.794 1.585 10 0 DDAERO C[NH+](C)C[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSc2ccccc21 ZINC000092238975 193178325 /nfs/dbraw/zinc/17/83/25/193178325.db2.gz VIHLCUGMSQZEFJ-OUCADQQQSA-N 1 0 306.431 1.399 10 0 DDAERO CN(CCCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccccc1F ZINC000261847152 203133148 /nfs/dbraw/zinc/13/31/48/203133148.db2.gz RDWFEEAWTJEQGA-DOMZBBRYSA-N 1 0 309.385 1.275 10 0 DDAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H](c2ccccc2)C2CC2)cn1 ZINC000261904625 203149351 /nfs/dbraw/zinc/14/93/51/203149351.db2.gz IAKQHPVWCJYGIE-SQNIBIBYSA-N 1 0 324.428 1.991 10 0 DDAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2cccc(F)c2F)cn1 ZINC000261961496 203161557 /nfs/dbraw/zinc/16/15/57/203161557.db2.gz POLKXIDUNODKKJ-MNOVXSKESA-N 1 0 306.316 1.640 10 0 DDAERO CN([C@@H](C[NH3+])c1cc(Cl)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000093095372 193202746 /nfs/dbraw/zinc/20/27/46/193202746.db2.gz WFPHCCICUDKWBE-ZJUUUORDSA-N 1 0 308.856 1.520 10 0 DDAERO O=S1(=O)CC[C@H](C2(Cc3ccc(Cl)s3)C[NH2+]C2)C1 ZINC000093195400 193214807 /nfs/dbraw/zinc/21/48/07/193214807.db2.gz TWFXVVITFWUDOW-VIFPVBQESA-N 1 0 305.852 1.968 10 0 DDAERO O=S1(=O)CC[C@@H](C2(C[C@@H]3COc4ccccc43)C[NH2+]C2)C1 ZINC000093195361 193214812 /nfs/dbraw/zinc/21/48/12/193214812.db2.gz CTRYNWOMNNWOHA-CHWSQXEVSA-N 1 0 307.415 1.577 10 0 DDAERO CS(=O)(=O)c1ccc(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000093451751 193254295 /nfs/dbraw/zinc/25/42/95/193254295.db2.gz NGMMPSNDBPQXAK-MELADBBJSA-N 1 0 309.435 1.818 10 0 DDAERO CS(=O)(=O)N1CCC[C@H](C[NH2+]CCOc2ccccc2)C1 ZINC000093696679 193291648 /nfs/dbraw/zinc/29/16/48/193291648.db2.gz OAIUDVTVMRFZCP-CQSZACIVSA-N 1 0 312.435 1.327 10 0 DDAERO Cc1ncc(C[NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)s1 ZINC000093696479 193291793 /nfs/dbraw/zinc/29/17/93/193291793.db2.gz RUSKPRFPIDNEFR-NSHDSACASA-N 1 0 303.453 1.213 10 0 DDAERO CCCOC[C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)[NH2+]CC ZINC000093700164 193293974 /nfs/dbraw/zinc/29/39/74/193293974.db2.gz KPFWIYDOJDYMSP-KBPBESRZSA-N 1 0 306.472 1.453 10 0 DDAERO CC1(C)CN(C[C@H]2CCCN(S(C)(=O)=O)C2)C(C)(C)C[NH2+]1 ZINC000093702626 193295402 /nfs/dbraw/zinc/29/54/02/193295402.db2.gz MQFYGVPUTCGAOI-CYBMUJFWSA-N 1 0 317.499 1.120 10 0 DDAERO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)CC[NH2+]1 ZINC000262754184 203399348 /nfs/dbraw/zinc/39/93/48/203399348.db2.gz CSOPXAKHESLHIK-MNOVXSKESA-N 1 0 323.343 1.138 10 0 DDAERO Cc1cc(N)cc(C)c1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000093648452 193283507 /nfs/dbraw/zinc/28/35/07/193283507.db2.gz LVKKUDIPFWQTAI-UHFFFAOYSA-N 1 0 311.451 1.650 10 0 DDAERO COc1ccc(S(=O)(=O)NC2C(C)(C)C([NH3+])C2(C)C)cc1 ZINC000094006485 193338372 /nfs/dbraw/zinc/33/83/72/193338372.db2.gz PTYAZRUDCJIJRJ-UHFFFAOYSA-N 1 0 312.435 1.735 10 0 DDAERO CC(C)[NH2+][C@@]1(C(N)=O)CC[C@@H](n2cc(Br)cn2)C1 ZINC000093833170 193314857 /nfs/dbraw/zinc/31/48/57/193314857.db2.gz DIYRXBUVQVOSMR-PWSUYJOCSA-N 1 0 315.215 1.593 10 0 DDAERO CCOC(=O)[C@@]1([NH3+])CC[C@H](Sc2nnc3ccccn32)C1 ZINC000093852822 193318381 /nfs/dbraw/zinc/31/83/81/193318381.db2.gz MFYFAONODZVSRX-IINYFYTJSA-N 1 0 306.391 1.635 10 0 DDAERO CC[NH2+][C@@]1(CO)CC[C@@H](Oc2ccc(S(C)(=O)=O)cc2)C1 ZINC000093859654 193320237 /nfs/dbraw/zinc/32/02/37/193320237.db2.gz GBTLCDDWKVNFAC-HIFRSBDPSA-N 1 0 313.419 1.362 10 0 DDAERO CCCN(CC(C)(C)C[NH3+])C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000093877636 193322153 /nfs/dbraw/zinc/32/21/53/193322153.db2.gz DJLWSCGEQCSBFW-LBPRGKRZSA-N 1 0 304.456 1.035 10 0 DDAERO CC(C)N1CCO[C@@H](c2noc(C[C@@H]3CSCC[NH2+]3)n2)C1 ZINC000093922855 193328759 /nfs/dbraw/zinc/32/87/59/193328759.db2.gz WMBUOVQVLATOOR-VXGBXAGGSA-N 1 0 312.439 1.099 10 0 DDAERO CC(C)[NH2+]Cc1c(SC[C@H](O)CO)nc2sccn12 ZINC000093960666 193331817 /nfs/dbraw/zinc/33/18/17/193331817.db2.gz HPSDXTVNMTYTKJ-SECBINFHSA-N 1 0 301.437 1.339 10 0 DDAERO CC[NH2+]Cc1sc(N(C)CCS(C)(=O)=O)nc1C(C)C ZINC000094301191 193358337 /nfs/dbraw/zinc/35/83/37/193358337.db2.gz IXUMEPSLGUJJQV-UHFFFAOYSA-N 1 0 319.496 1.857 10 0 DDAERO CC[NH2+]Cc1nc(N(C)CCS(C)(=O)=O)ccc1Cl ZINC000094300719 193358513 /nfs/dbraw/zinc/35/85/13/193358513.db2.gz YRLXOASAQNYERJ-UHFFFAOYSA-N 1 0 305.831 1.325 10 0 DDAERO C[N@@H+]1CC[C@@H](Nc2nc(C(F)(F)F)ccc2C(N)=S)C1 ZINC000094336045 193361191 /nfs/dbraw/zinc/36/11/91/193361191.db2.gz XVWNJLCNPWSFJV-SSDOTTSWSA-N 1 0 304.341 1.851 10 0 DDAERO CC[C@@H]([NH3+])Cc1cc(F)c(O[C@@H]2CCS(=O)(=O)C2)c(F)c1 ZINC000094350637 193364609 /nfs/dbraw/zinc/36/46/09/193364609.db2.gz NMBFIRYVSRHBNN-GHMZBOCLSA-N 1 0 319.373 1.811 10 0 DDAERO CCCN(CC1CC[NH2+]CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000094043698 193341144 /nfs/dbraw/zinc/34/11/44/193341144.db2.gz LOUZHISOLFXYGQ-UHFFFAOYSA-N 1 0 311.451 1.550 10 0 DDAERO CC[C@@](C)([NH3+])C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000094232596 193353047 /nfs/dbraw/zinc/35/30/47/193353047.db2.gz BROYSJYNVTUIQJ-GFCCVEGCSA-N 1 0 304.799 1.809 10 0 DDAERO CC[C@](C)([NH3+])C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000094237045 193353753 /nfs/dbraw/zinc/35/37/53/193353753.db2.gz YXPLGNRHVKGLFN-AWEZNQCLSA-N 1 0 311.407 1.193 10 0 DDAERO COc1cc(C[NH3+])ccc1O[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094634043 193385474 /nfs/dbraw/zinc/38/54/74/193385474.db2.gz PHMBHPXUSQSPMX-STQMWFEESA-N 1 0 313.419 1.889 10 0 DDAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094635583 193386375 /nfs/dbraw/zinc/38/63/75/193386375.db2.gz MQHLOQXMXYHGIF-KFWWJZLASA-N 1 0 304.500 1.908 10 0 DDAERO CS(=O)(=O)[C@H]1CCC[C@@H](Sc2nc(N)cc(N)[nH+]2)C1 ZINC000094637413 193386948 /nfs/dbraw/zinc/38/69/48/193386948.db2.gz RWIXOTIPMWZMGS-SFYZADRCSA-N 1 0 302.425 1.089 10 0 DDAERO CS(=O)(=O)[C@@H]1CCC[C@H]([NH+]2CCC3(CC2)OCCO3)C1 ZINC000094679970 193391427 /nfs/dbraw/zinc/39/14/27/193391427.db2.gz MFTJOHOEMLQPLZ-QWHCGFSZSA-N 1 0 303.424 1.181 10 0 DDAERO [NH3+]Cc1cccc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000094439525 193370465 /nfs/dbraw/zinc/37/04/65/193370465.db2.gz CLSMBDPYKJILON-CQSZACIVSA-N 1 0 309.435 1.004 10 0 DDAERO C(c1nc([C@@H]2CSCCS2)no1)N1CCC[NH2+]CC1 ZINC000094495740 193373162 /nfs/dbraw/zinc/37/31/62/193373162.db2.gz SYCNANCTDKVKBQ-JTQLQIEISA-N 1 0 300.453 1.386 10 0 DDAERO [NH3+][C@H]([C@@H]1CCOC2(CCSCC2)C1)[C@@H]1CN2CCN1CC2 ZINC000094508618 193375743 /nfs/dbraw/zinc/37/57/43/193375743.db2.gz DLPNZLWSYCAMMQ-QLFBSQMISA-N 1 0 311.495 1.006 10 0 DDAERO C[C@@H]1C[C@H]([NH3+])CN(S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000094550182 193378825 /nfs/dbraw/zinc/37/88/25/193378825.db2.gz CFCCAWMFGWKPKO-SCZZXKLOSA-N 1 0 306.790 1.837 10 0 DDAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2ncccc2Br)O1 ZINC000094572862 193381744 /nfs/dbraw/zinc/38/17/44/193381744.db2.gz YGKLYPMTZBHIGE-VXNVDRBHSA-N 1 0 300.156 1.289 10 0 DDAERO Brc1cccn2nc(NCC[C@H]3CC[NH2+]C3)nc12 ZINC000094608191 193384593 /nfs/dbraw/zinc/38/45/93/193384593.db2.gz KYHHMRGABBLFMF-SECBINFHSA-N 1 0 310.199 1.903 10 0 DDAERO COc1ccc(C[NH3+])cc1O[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094634419 193385221 /nfs/dbraw/zinc/38/52/21/193385221.db2.gz IXCVMOLNQFHJRQ-STQMWFEESA-N 1 0 313.419 1.889 10 0 DDAERO O=S1(=O)N=C(OCCC[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000095073740 193416167 /nfs/dbraw/zinc/41/61/67/193416167.db2.gz WNXLISWGQHZOLF-GFCCVEGCSA-N 1 0 308.403 1.932 10 0 DDAERO COCCN(C(=O)[C@@H]1CCCCC[C@@H]1[NH3+])[C@@H]1CCSC1 ZINC000094751423 193395517 /nfs/dbraw/zinc/39/55/17/193395517.db2.gz ABKCRKONWRAQFW-MCIONIFRSA-N 1 0 300.468 1.875 10 0 DDAERO Cc1cc(F)c(N)cc1S(=O)(=O)N[C@H](C)C[NH+]1CCCC1 ZINC000094779499 193396658 /nfs/dbraw/zinc/39/66/58/193396658.db2.gz CVRSTHIOJAGKNH-LLVKDONJSA-N 1 0 315.414 1.479 10 0 DDAERO Cc1nn(C)c(C[C@H]([NH3+])[C@]2(C)CCCO2)c1Br ZINC000094782829 193397751 /nfs/dbraw/zinc/39/77/51/193397751.db2.gz HBARKMYZWNGXBK-JQWIXIFHSA-N 1 0 302.216 1.930 10 0 DDAERO CC[NH2+][C@H](Cc1csc(C)n1)C[C@@H]1CCS(=O)(=O)C1 ZINC000097274453 193702933 /nfs/dbraw/zinc/70/29/33/193702933.db2.gz KDGZXISNXHWEPE-RYUDHWBXSA-N 1 0 302.465 1.797 10 0 DDAERO CCNC(=S)NC(=[NH2+])N1CCN(Cc2ccccc2)CC1 ZINC000017031245 182069164 /nfs/dbraw/zinc/06/91/64/182069164.db2.gz FJZJWIJZJKSXQY-UHFFFAOYSA-N 1 0 305.451 1.223 10 0 DDAERO C[C@H](Oc1ccc(Br)cc1C[NH3+])C(=O)N(C)C ZINC000020483410 182223167 /nfs/dbraw/zinc/22/31/67/182223167.db2.gz NIDCZIJWGJTWEZ-QMMMGPOBSA-N 1 0 301.184 1.763 10 0 DDAERO Cc1n[nH]c(CCC[N@@H+]2CC[C@@](O)(c3ccccc3C)C2)n1 ZINC000020908236 182253429 /nfs/dbraw/zinc/25/34/29/182253429.db2.gz UGUSMJJEQFKUDP-KRWDZBQOSA-N 1 0 300.406 1.948 10 0 DDAERO CC(C)C(=O)NCC(C)(C)[NH2+]C[C@H](O)COc1ccccc1 ZINC000028265716 182518539 /nfs/dbraw/zinc/51/85/39/182518539.db2.gz BQYSVNWXLVDCBO-AWEZNQCLSA-N 1 0 308.422 1.567 10 0 DDAERO CCCCS(=O)(=O)N1C[C@H](C)N(CCC[NH+](C)C)[C@@H](C)C1 ZINC000036125210 182804609 /nfs/dbraw/zinc/80/46/09/182804609.db2.gz YSHCDOXNRPGZRT-GJZGRUSLSA-N 1 0 319.515 1.463 10 0 DDAERO [NH3+][C@@H]1CCCC[C@@H]1Nc1ccccc1S(=O)(=O)NC1CC1 ZINC000038050861 182982286 /nfs/dbraw/zinc/98/22/86/182982286.db2.gz GCCGJVAIBUPNQJ-OLZOCXBDSA-N 1 0 309.435 1.809 10 0 DDAERO O=C([C@@H]1COCCN1CC1CCC1)N1CC[C@@H](O)CC12CCC2 ZINC000333560714 249023799 /nfs/dbraw/zinc/02/37/99/249023799.db2.gz KWRSBRLMPMJFRH-CVEARBPZSA-N 1 0 322.449 1.393 10 0 DDAERO COCc1c(Br)cccc1NC[C@@H](O)C[NH+](C)C ZINC000040491599 183079868 /nfs/dbraw/zinc/07/98/68/183079868.db2.gz NMQDWDJWNLLSMN-SNVBAGLBSA-N 1 0 317.227 1.930 10 0 DDAERO COC(=O)c1cc(Cl)ccc1NC(=O)[C@@H]1C[C@H](OC)C[NH2+]1 ZINC000040632794 183111544 /nfs/dbraw/zinc/11/15/44/183111544.db2.gz PLGHYPAFAUYRGU-CABZTGNLSA-N 1 0 312.753 1.442 10 0 DDAERO CO[C@@H]1C[NH2+][C@H](C(=O)NCc2ccc(Br)s2)C1 ZINC000040636718 183113135 /nfs/dbraw/zinc/11/31/35/183113135.db2.gz OSZMULOCRBVYNU-CBAPKCEASA-N 1 0 319.224 1.504 10 0 DDAERO Cc1n[nH]c(C)c1S(=O)(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000040809476 183136661 /nfs/dbraw/zinc/13/66/61/183136661.db2.gz PRKNVXICWAFHCP-ZDUSSCGKSA-N 1 0 314.455 1.425 10 0 DDAERO CN1CCN(Nc2[nH+]cnc(NNc3ccccc3)c2N)CC1 ZINC000040756830 183129374 /nfs/dbraw/zinc/12/93/74/183129374.db2.gz PEKYTGMWLQOLNF-UHFFFAOYSA-N 1 0 314.397 1.072 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N2C[C@@H](C)OC(C)(C)C2)cc1 ZINC000041681920 183216725 /nfs/dbraw/zinc/21/67/25/183216725.db2.gz XRWNNGQSVDWCDS-GFCCVEGCSA-N 1 0 312.435 1.594 10 0 DDAERO C[NH2+]Cc1cnn([C@@H]2CCS(=O)(=O)C2)c1-c1ccccc1 ZINC000042188566 183238763 /nfs/dbraw/zinc/23/87/63/183238763.db2.gz YYQMPRBWLQSDSK-CQSZACIVSA-N 1 0 305.403 1.629 10 0 DDAERO CCCN(C1CCS(=O)(=O)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000042333162 183254945 /nfs/dbraw/zinc/25/49/45/183254945.db2.gz KFXGGXJVIWTJLK-NNQSOWQGSA-N 1 0 300.468 1.559 10 0 DDAERO CNC(=O)[C@@H](C)Oc1c(Br)cccc1C[C@H](C)[NH3+] ZINC000042412832 183266885 /nfs/dbraw/zinc/26/68/85/183266885.db2.gz VNAIQADDDPVHBD-DTWKUNHWSA-N 1 0 315.211 1.852 10 0 DDAERO CNC(=O)[C@@H](C)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000042341907 183256594 /nfs/dbraw/zinc/25/65/94/183256594.db2.gz KFCIRRUJZBEAHL-SSDOTTSWSA-N 1 0 315.167 1.402 10 0 DDAERO CC[C@@H]([NH3+])c1cccc(S(=O)(=O)N(C)CCC(=O)OC)c1 ZINC000042552017 183283797 /nfs/dbraw/zinc/28/37/97/183283797.db2.gz MKRATZMRRKJWIZ-CYBMUJFWSA-N 1 0 314.407 1.280 10 0 DDAERO COCCN([C@@H](C[NH3+])c1cc(F)ccc1F)[C@@H](C)COC ZINC000042602972 183290532 /nfs/dbraw/zinc/29/05/32/183290532.db2.gz FMJHLPAMQJATNH-NHYWBVRUSA-N 1 0 302.365 1.948 10 0 DDAERO CCC(CC)[N@H+](CCOC)CC(=O)N[C@H](C(C)=O)C(C)C ZINC000042680585 183296266 /nfs/dbraw/zinc/29/62/66/183296266.db2.gz VICPWVUIKLLQGT-INIZCTEOSA-N 1 0 300.443 1.853 10 0 DDAERO CS(=O)(=O)CCOc1cc2c(cc1C[NH2+]C1CC1)OCO2 ZINC000042875048 183316020 /nfs/dbraw/zinc/31/60/20/183316020.db2.gz LTGFFEBCBYJNSM-UHFFFAOYSA-N 1 0 313.375 1.091 10 0 DDAERO COc1ccc([C@@H](Sc2nc(N)cc(=O)[nH]2)[C@@H](C)[NH3+])cc1 ZINC000042965242 183324495 /nfs/dbraw/zinc/32/44/95/183324495.db2.gz BKCFXJNCSRRNNP-OQPBUACISA-N 1 0 306.391 1.541 10 0 DDAERO CC(C)N(CC(F)(F)F)S(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000042782507 183308941 /nfs/dbraw/zinc/30/89/41/183308941.db2.gz NIEWYZPEGWBGRC-SNVBAGLBSA-N 1 0 302.362 1.731 10 0 DDAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)NC[C@H]2CCCCO2)cc1 ZINC000042825722 183313096 /nfs/dbraw/zinc/31/30/96/183313096.db2.gz HOJIKPAHMKLIDQ-TZMCWYRMSA-N 1 0 312.435 1.814 10 0 DDAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCS(=O)(=O)CC1 ZINC000043252825 183347887 /nfs/dbraw/zinc/34/78/87/183347887.db2.gz ZAJGHZCRAGVAKP-JOYOIKCWSA-N 1 0 322.883 1.910 10 0 DDAERO C[C@H]([NH3+])[C@H](c1cc(Br)cs1)N(C)CC(N)=O ZINC000043285398 183350207 /nfs/dbraw/zinc/35/02/07/183350207.db2.gz LWGVETJZDGSKAB-QUBYGPBYSA-N 1 0 306.229 1.316 10 0 DDAERO CNC(=O)CN(C)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091481 183336251 /nfs/dbraw/zinc/33/62/51/183336251.db2.gz MUPXDGJAGTVWDZ-NOZJJQNGSA-N 1 0 314.227 1.515 10 0 DDAERO C[NH+](C)C(C)(C)CNS(=O)(=O)c1cc(N)ccc1Cl ZINC000043411104 183360146 /nfs/dbraw/zinc/36/01/46/183360146.db2.gz WAIWKKVTCMAXLM-UHFFFAOYSA-N 1 0 305.831 1.541 10 0 DDAERO COCCCNC(=O)[C@@H](C)[N@H+](CCC(N)=S)CC(C)C ZINC000043418454 183360989 /nfs/dbraw/zinc/36/09/89/183360989.db2.gz FNSWPIQPEZKICO-GFCCVEGCSA-N 1 0 303.472 1.162 10 0 DDAERO [NH3+]Cc1cccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000043426940 183361896 /nfs/dbraw/zinc/36/18/96/183361896.db2.gz ZOFSMKZMNXAMHJ-LSDHHAIUSA-N 1 0 310.419 1.477 10 0 DDAERO CO[C@@H]1C[C@@H](CO)N(CC(=O)Nc2ccnn2C2CCCC2)C1 ZINC000284591986 218091491 /nfs/dbraw/zinc/09/14/91/218091491.db2.gz KRPGIYLMGHIIQD-UONOGXRCSA-N 1 0 322.409 1.018 10 0 DDAERO CCOc1ncccc1CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105118453 194075526 /nfs/dbraw/zinc/07/55/26/194075526.db2.gz VYTRBNWIDDHHFA-OAHLLOKOSA-N 1 0 318.421 1.860 10 0 DDAERO CC[C@@H]1CN(Cc2ccoc2C(=O)OC)CC[N@@H+]1C[C@@H](C)O ZINC000105826529 194136923 /nfs/dbraw/zinc/13/69/23/194136923.db2.gz DLYXIXXCGNNDBV-TZMCWYRMSA-N 1 0 310.394 1.343 10 0 DDAERO CC(C)CCNC(=O)[C@H](C)[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000105874102 194153180 /nfs/dbraw/zinc/15/31/80/194153180.db2.gz AGRSWVXWQHHXKL-KBPBESRZSA-N 1 0 321.469 1.857 10 0 DDAERO CCCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105883907 194156943 /nfs/dbraw/zinc/15/69/43/194156943.db2.gz RDLORTKGUPYTCR-CABCVRRESA-N 1 0 307.442 1.685 10 0 DDAERO CCc1nccn1[C@@H]1CCC[N@H+](CC(=O)N(C)CC2CC2)C1 ZINC000105897656 194162731 /nfs/dbraw/zinc/16/27/31/194162731.db2.gz WAVPYWVYKODXIX-OAHLLOKOSA-N 1 0 304.438 1.951 10 0 DDAERO COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000105901048 194164768 /nfs/dbraw/zinc/16/47/68/194164768.db2.gz IXRBOKIMELEUCI-LSDHHAIUSA-N 1 0 308.426 1.370 10 0 DDAERO C[C@H](C(=O)N1CCCCC1)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105909210 194166594 /nfs/dbraw/zinc/16/65/94/194166594.db2.gz GJWTWDAGERIOBU-OAHLLOKOSA-N 1 0 317.437 1.390 10 0 DDAERO CC[C@H]1CN(Cc2cn3cc(C)ccc3n2)CC[N@@H+]1C[C@@H](C)O ZINC000105912697 194168219 /nfs/dbraw/zinc/16/82/19/194168219.db2.gz JYGBOGWCOXACFN-WBVHZDCISA-N 1 0 316.449 1.920 10 0 DDAERO C[C@H](O)C[NH+]1CCC(CN(C)CC(=O)OC(C)(C)C)CC1 ZINC000105915407 194169083 /nfs/dbraw/zinc/16/90/83/194169083.db2.gz VEMNQNBPJLIPCF-ZDUSSCGKSA-N 1 0 300.443 1.353 10 0 DDAERO COC(=O)c1cccc(OCCN2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000105923889 194170398 /nfs/dbraw/zinc/17/03/98/194170398.db2.gz CCCPXCLKHMDXCA-INIZCTEOSA-N 1 0 322.405 1.114 10 0 DDAERO Cc1ccc(NC(=O)[C@@H](C)N2CCO[C@H](C[NH+](C)C)C2)c(F)c1 ZINC000105925942 194171093 /nfs/dbraw/zinc/17/10/93/194171093.db2.gz GWCJOAHLSKWXHV-ZIAGYGMSSA-N 1 0 323.412 1.724 10 0 DDAERO CCc1ccccc1NC(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000105927200 194172569 /nfs/dbraw/zinc/17/25/69/194172569.db2.gz QKEHAPGLEPXDNF-OAHLLOKOSA-N 1 0 305.422 1.450 10 0 DDAERO Cc1ccc(CNC(=O)[C@@H](C)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000105926722 194173389 /nfs/dbraw/zinc/17/33/89/194173389.db2.gz PLRYKRMZWUOGMO-NVXWUHKLSA-N 1 0 319.449 1.262 10 0 DDAERO COCC[N@@H+]1CCN(Cc2cnn(-c3ccccc3)n2)C[C@@H]1C ZINC000106107650 194185828 /nfs/dbraw/zinc/18/58/28/194185828.db2.gz UZYLRSFGZLLDAQ-HNNXBMFYSA-N 1 0 315.421 1.420 10 0 DDAERO COCc1ccccc1C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000285088095 218285598 /nfs/dbraw/zinc/28/55/98/218285598.db2.gz DKXHQECFDSVLMT-JKSUJKDBSA-N 1 0 304.390 1.378 10 0 DDAERO COc1ccc(NS(=O)(=O)CCC[NH2+]C(C)C)c(OC)c1 ZINC000049632502 183749665 /nfs/dbraw/zinc/74/96/65/183749665.db2.gz KJEKZOOQDFJQHZ-UHFFFAOYSA-N 1 0 316.423 1.834 10 0 DDAERO CC[NH2+]CCS(=O)(=O)NCc1cccc(Br)c1 ZINC000049644502 183751254 /nfs/dbraw/zinc/75/12/54/183751254.db2.gz FSHOMGYYUMPHDU-UHFFFAOYSA-N 1 0 321.240 1.478 10 0 DDAERO CC[C@H](C[NH3+])N1CCN(S(=O)(=O)C2CCCCC2)CC1 ZINC000109451151 194264977 /nfs/dbraw/zinc/26/49/77/194264977.db2.gz CURSCLVMGGDMRA-CYBMUJFWSA-N 1 0 303.472 1.004 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN(C(=O)c2ccncc2)CC1 ZINC000109463328 194265322 /nfs/dbraw/zinc/26/53/22/194265322.db2.gz ZXBWVUNKYQKFJZ-CYBMUJFWSA-N 1 0 306.435 1.294 10 0 DDAERO CCC[C@@H](C(N)=S)[NH+]1CCN(C(=O)C2CCOCC2)CC1 ZINC000109464918 194265531 /nfs/dbraw/zinc/26/55/31/194265531.db2.gz JMOFVPJNKVXBDP-ZDUSSCGKSA-N 1 0 313.467 1.012 10 0 DDAERO CC[C@@H]([NH2+]C)c1cccc(S(=O)(=O)N[C@H]2CCCOC2)c1 ZINC000109550578 194273029 /nfs/dbraw/zinc/27/30/29/194273029.db2.gz ZTKCJQMJWZSDRI-DZGCQCFKSA-N 1 0 312.435 1.814 10 0 DDAERO O=c1cc(CN2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nc2sccn21 ZINC000051359546 183825458 /nfs/dbraw/zinc/82/54/58/183825458.db2.gz ACPWVZDQMMAHHI-QWHCGFSZSA-N 1 0 304.419 1.472 10 0 DDAERO Cc1cccc(CNS(=O)(=O)c2ccc([C@@H](C)[NH3+])cc2)n1 ZINC000051577282 183830054 /nfs/dbraw/zinc/83/00/54/183830054.db2.gz LKHCBULMCUVNJR-GFCCVEGCSA-N 1 0 305.403 1.888 10 0 DDAERO CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1CN1CCS(=O)(=O)CC1 ZINC000053867723 183914626 /nfs/dbraw/zinc/91/46/26/183914626.db2.gz BQVLQVYWHBDZSG-RRFJBIMHSA-N 1 0 302.484 1.521 10 0 DDAERO C[NH+](C)C[C@@H]1CCCN1C(=O)Cc1ccc(C(N)=S)cc1 ZINC000110615542 194342948 /nfs/dbraw/zinc/34/29/48/194342948.db2.gz JZFPDRCJYUFOHH-AWEZNQCLSA-N 1 0 305.447 1.416 10 0 DDAERO CC(C)NS(=O)(=O)c1ccc(NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000110798932 194360166 /nfs/dbraw/zinc/36/01/66/194360166.db2.gz VYOPKMBPMGPQPU-ZDUSSCGKSA-N 1 0 311.451 1.785 10 0 DDAERO COc1ccc([C@H]([NH3+])[C@H]2CCS(=O)(=O)C2)c(Cl)c1OC ZINC000110828498 194361854 /nfs/dbraw/zinc/36/18/54/194361854.db2.gz DRYVQROKJPZNKX-QPUJVOFHSA-N 1 0 319.810 1.792 10 0 DDAERO Cc1cc(C)cc(C(=O)NC2CC[NH+](CC(N)=S)CC2)c1 ZINC000110825704 194361966 /nfs/dbraw/zinc/36/19/66/194361966.db2.gz GEIHTHFGIGTQOL-UHFFFAOYSA-N 1 0 305.447 1.784 10 0 DDAERO Cc1ccc(C(=O)NC2CC[NH+](CC(N)=S)CC2)c(C)n1 ZINC000110825768 194362099 /nfs/dbraw/zinc/36/20/99/194362099.db2.gz RINPYSHKZRHNOJ-UHFFFAOYSA-N 1 0 306.435 1.179 10 0 DDAERO CC[C@H]1CN(C(=O)c2cc(Br)c[nH]2)CC[N@@H+]1C ZINC000110759240 194357293 /nfs/dbraw/zinc/35/72/93/194357293.db2.gz ALBLYHMHNAXFKH-JTQLQIEISA-N 1 0 300.200 1.943 10 0 DDAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc2c1OCC(=O)N2 ZINC000110993538 194379306 /nfs/dbraw/zinc/37/93/06/194379306.db2.gz OAWFJSSRQBYPTN-LBPRGKRZSA-N 1 0 317.389 1.622 10 0 DDAERO C[C@@H]([NH3+])c1cccc(S(=O)(=O)N(C)CC2CCOCC2)c1 ZINC000111179546 194399634 /nfs/dbraw/zinc/39/96/34/194399634.db2.gz OAQRTDYHXZBQFC-GFCCVEGCSA-N 1 0 312.435 1.753 10 0 DDAERO CC1CCC(CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000056818956 184019749 /nfs/dbraw/zinc/01/97/49/184019749.db2.gz JOWZIMGNUBOLSV-GPANFISMSA-N 1 0 311.470 1.959 10 0 DDAERO CC[NH2+]C[C@H](C)C(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000061236423 184166792 /nfs/dbraw/zinc/16/67/92/184166792.db2.gz OXOLYIOEZLRTFD-BFHYXJOUSA-N 1 0 300.468 1.745 10 0 DDAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C1CC1)c1cnn(C)c1 ZINC000061594547 184176076 /nfs/dbraw/zinc/17/60/76/184176076.db2.gz POEAVIOYJZEOHV-MNOVXSKESA-N 1 0 308.411 1.211 10 0 DDAERO CC[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C(C)C)c1cnn(C)c1 ZINC000061595084 184176434 /nfs/dbraw/zinc/17/64/34/184176434.db2.gz VNXACAJJRWTKQR-GHMZBOCLSA-N 1 0 310.427 1.457 10 0 DDAERO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1c(N)cccc1Cl ZINC000061642661 184180136 /nfs/dbraw/zinc/18/01/36/184180136.db2.gz BVARXIVJEZEJBL-JTQLQIEISA-N 1 0 317.842 1.637 10 0 DDAERO C[C@@H]1CN(S(=O)(=O)c2ccc(CC[NH3+])s2)CCCO1 ZINC000061936862 184196660 /nfs/dbraw/zinc/19/66/60/184196660.db2.gz HSJYOGIHUZEMPT-SNVBAGLBSA-N 1 0 304.437 1.049 10 0 DDAERO C[C@@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)c(F)c2)C[NH2+]1 ZINC000062037513 184202843 /nfs/dbraw/zinc/20/28/43/184202843.db2.gz AFTACZWOWNROPI-ZJUUUORDSA-N 1 0 304.362 1.631 10 0 DDAERO C[C@H]1CC[C@H](CNC(=O)c2cccc(S(C)(=O)=O)c2)C[NH2+]1 ZINC000062036696 184203037 /nfs/dbraw/zinc/20/30/37/184203037.db2.gz WBRGIBQDEYKDPS-RYUDHWBXSA-N 1 0 310.419 1.208 10 0 DDAERO CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC[NH+](C)C ZINC000062066270 184203905 /nfs/dbraw/zinc/20/39/05/184203905.db2.gz YGTGKULZKNCPHO-OLZOCXBDSA-N 1 0 315.458 1.994 10 0 DDAERO CCCC1CCC(C[NH3+])(N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000062082571 184205079 /nfs/dbraw/zinc/20/50/79/184205079.db2.gz XHUGFDIUCGYSQU-UHFFFAOYSA-N 1 0 317.499 1.251 10 0 DDAERO C[C@H]1CC(C)(C)C[C@](C[NH3+])(N2CCN(S(C)(=O)=O)CC2)C1 ZINC000062082488 184205150 /nfs/dbraw/zinc/20/51/50/184205150.db2.gz RMSUWOMHMLBUNU-DZGCQCFKSA-N 1 0 317.499 1.107 10 0 DDAERO Nc1cc(Cl)ccc1NC(=O)CC[N@@H+]1CCNC(=O)CC1 ZINC000062099609 184206101 /nfs/dbraw/zinc/20/61/01/184206101.db2.gz ITHMSABMVIIVRU-UHFFFAOYSA-N 1 0 310.785 1.073 10 0 DDAERO Cc1nn(CC[C@H]([NH2+]C2CC2)C(N)=O)c(C)c1Br ZINC000062538436 184241613 /nfs/dbraw/zinc/24/16/13/184241613.db2.gz RVHAKMIMPKNDDV-JTQLQIEISA-N 1 0 315.215 1.258 10 0 DDAERO C[C@H]([NH3+])c1ccc(S(=O)(=O)N(C)Cc2nccn2C)cc1 ZINC000062324791 184230626 /nfs/dbraw/zinc/23/06/26/184230626.db2.gz BTAYOUJJEOYNMB-NSHDSACASA-N 1 0 308.407 1.261 10 0 DDAERO CC(C)(C)[NH2+]Cc1ccc(O[C@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000062728781 184250758 /nfs/dbraw/zinc/25/07/58/184250758.db2.gz MQZVESLRNLTSRD-KGLIPLIRSA-N 1 0 313.419 1.111 10 0 DDAERO COCC[NH2+]Cc1ccc(OCC(=O)N(C)C)c(Cl)c1 ZINC000062730460 184251597 /nfs/dbraw/zinc/25/15/97/184251597.db2.gz CXRVMKAEAFEEFM-UHFFFAOYSA-N 1 0 300.786 1.543 10 0 DDAERO COCC[NH2+]Cc1c(N(C)[C@@H](C)COC)nc2sccn12 ZINC000062737341 184251807 /nfs/dbraw/zinc/25/18/07/184251807.db2.gz MNKIJRMMXUYXKK-NSHDSACASA-N 1 0 312.439 1.603 10 0 DDAERO C[C@@H]1CN[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2F)C[NH2+]1 ZINC000062815764 184254195 /nfs/dbraw/zinc/25/41/95/184254195.db2.gz KTCLBWQDHRPAJC-RDDDGLTNSA-N 1 0 305.275 1.733 10 0 DDAERO Nc1cc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)ccc1F ZINC000062940550 184261104 /nfs/dbraw/zinc/26/11/04/184261104.db2.gz MAGGQACAFAGKOZ-LLVKDONJSA-N 1 0 313.398 1.267 10 0 DDAERO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(N)ccc2F)C1 ZINC000062975673 184263396 /nfs/dbraw/zinc/26/33/96/184263396.db2.gz RJABTRHMPSWVPE-GFCCVEGCSA-N 1 0 315.414 1.513 10 0 DDAERO C[NH2+]Cc1c(Cl)cccc1N1CC[C@H](N2CCOCC2)C1 ZINC000062981934 184264200 /nfs/dbraw/zinc/26/42/00/184264200.db2.gz KLKSAJHGMFYRPH-ZDUSSCGKSA-N 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/nfs/dbraw/zinc/54/31/23/407543123.db2.gz BHAIEVBALRHSBE-GFCCVEGCSA-N 1 0 322.386 1.118 10 0 DDAERO C[C@@H]1CC[C@H](C(=O)NCc2cccc(OCC[NH+](C)C)c2)O1 ZINC000152004282 407544321 /nfs/dbraw/zinc/54/43/21/407544321.db2.gz WGWKEYKUIULPNK-CZUORRHYSA-N 1 0 306.406 1.811 10 0 DDAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ncccc3Br)C[C@H]12 ZINC000261588063 407545207 /nfs/dbraw/zinc/54/52/07/407545207.db2.gz VKSRCKKAIPWFEX-WCABBAIRSA-N 1 0 310.195 1.653 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000261757339 407604451 /nfs/dbraw/zinc/60/44/51/407604451.db2.gz PMEAXQJXAIVHMU-HOCLYGCPSA-N 1 0 314.433 1.638 10 0 DDAERO [NH3+]C1(C(=O)NCc2ccccc2Cn2ccnc2)CCOCC1 ZINC000261774920 407610027 /nfs/dbraw/zinc/61/00/27/407610027.db2.gz GYIULWQYWOUUKL-UHFFFAOYSA-N 1 0 314.389 1.056 10 0 DDAERO [NH3+]C1(C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)CCOCC1 ZINC000261802593 407618335 /nfs/dbraw/zinc/61/83/35/407618335.db2.gz JAKNLMWBAZUVBG-AWEZNQCLSA-N 1 0 321.396 1.419 10 0 DDAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C[C@H]2COCCO2)C1 ZINC000227658101 407636348 /nfs/dbraw/zinc/63/63/48/407636348.db2.gz XMVLAUQVHIYRCO-KGLIPLIRSA-N 1 0 314.426 1.639 10 0 DDAERO [NH3+]C1(C(=O)NCc2ccc(Cn3cccn3)cc2)CCOCC1 ZINC000261868172 407648147 /nfs/dbraw/zinc/64/81/47/407648147.db2.gz NWLAISZYAZDTED-UHFFFAOYSA-N 1 0 314.389 1.056 10 0 DDAERO CN1C(=O)CC[C@@H](C(=O)NCC[NH+](C)C)[C@H]1c1ccccc1 ZINC000178903288 407649335 /nfs/dbraw/zinc/64/93/35/407649335.db2.gz IHSFIUCKFWBXLM-GDBMZVCRSA-N 1 0 303.406 1.274 10 0 DDAERO CNC(=O)c1ccc(Cl)c(NC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000171077964 407592438 /nfs/dbraw/zinc/59/24/38/407592438.db2.gz LMWBFUNNRXAJDI-NSHDSACASA-N 1 0 324.812 1.867 10 0 DDAERO Cc1ccc2oc(N3CCN(C(=O)CC(C)(C)[NH3+])CC3)nc2c1 ZINC000178772990 407596184 /nfs/dbraw/zinc/59/61/84/407596184.db2.gz UGXSVKZZYDXYJS-UHFFFAOYSA-N 1 0 316.405 1.912 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)COc1ccc(C=O)cc1 ZINC000171396866 407680461 /nfs/dbraw/zinc/68/04/61/407680461.db2.gz 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ICUFNHDFSLLBNR-BBRMVZONSA-N 1 0 311.389 1.576 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc(C(=O)NC)c1 ZINC000176276975 408329162 /nfs/dbraw/zinc/32/91/62/408329162.db2.gz UXGZLWVXIIRXNF-HNNXBMFYSA-N 1 0 318.421 1.994 10 0 DDAERO COc1cccc(OCCN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1 ZINC000246479084 408267085 /nfs/dbraw/zinc/26/70/85/408267085.db2.gz AABZHBUMYFWRMP-GJZGRUSLSA-N 1 0 308.422 1.461 10 0 DDAERO O[C@@H](COCc1ccccc1)C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000246511088 408275950 /nfs/dbraw/zinc/27/59/50/408275950.db2.gz CRENCMFDPSYBNX-KGLIPLIRSA-N 1 0 319.323 1.563 10 0 DDAERO COC(=O)c1ccccc1N(C)C(=O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183121417 408331727 /nfs/dbraw/zinc/33/17/27/408331727.db2.gz RMGNZZPHXLAWTG-WFASDCNBSA-N 1 0 320.389 1.593 10 0 DDAERO COc1cccc(C[C@@H]([NH2+]C[C@@H]2CN(C)CCO2)C2CC2)c1 ZINC000246538237 408286303 /nfs/dbraw/zinc/28/63/03/408286303.db2.gz VUHZGKYCJRSDKG-QZTJIDSGSA-N 1 0 304.434 1.937 10 0 DDAERO Cc1nn(C)c(Cl)c1C[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 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1 0 306.225 1.959 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)C(C)C ZINC000183641178 539242543 /nfs/dbraw/zinc/24/25/43/539242543.db2.gz QEZKCECWXGOTFG-CQSZACIVSA-N 1 0 311.813 1.316 10 0 DDAERO CC[C@@H](C[NH3+])S(=O)(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000088474058 185252118 /nfs/dbraw/zinc/25/21/18/185252118.db2.gz KMYSEYHDVGPAHE-AWEZNQCLSA-N 1 0 313.423 1.002 10 0 DDAERO NS(=O)(=O)c1ccc(N2CC[NH2+]CC23CCCCC3)cc1 ZINC000088396721 185248541 /nfs/dbraw/zinc/24/85/41/185248541.db2.gz FFHYAAIHMDVTHF-UHFFFAOYSA-N 1 0 309.435 1.447 10 0 DDAERO CC(C)(C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCOCC2)o1 ZINC000088544562 185257170 /nfs/dbraw/zinc/25/71/70/185257170.db2.gz LHRWNQCLMDJHGV-UHFFFAOYSA-N 1 0 316.423 1.579 10 0 DDAERO CCC[NH2+]Cc1ccc(S(=O)(=O)NCCCCOC)o1 ZINC000088542992 185256158 /nfs/dbraw/zinc/25/61/58/185256158.db2.gz ZOORNUGIDLZQMW-UHFFFAOYSA-N 1 0 304.412 1.484 10 0 DDAERO Nc1c2nccnc2sc1C(=O)NCCC[NH+]1CCCC1 ZINC000088643328 185261412 /nfs/dbraw/zinc/26/14/12/185261412.db2.gz SJAJRQGULBTGHE-UHFFFAOYSA-N 1 0 305.407 1.489 10 0 DDAERO NC(=O)[C@@H]1C[NH2+]CCN1Cc1cc2ccccc2nc1Cl ZINC000088668298 185262154 /nfs/dbraw/zinc/26/21/54/185262154.db2.gz XWFPMCJZYYSAKB-ZDUSSCGKSA-N 1 0 304.781 1.147 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H]1CCO ZINC000253203124 282212717 /nfs/dbraw/zinc/21/27/17/282212717.db2.gz FHDQMUYLNIJVAB-ARFHVFGLSA-N 1 0 311.470 1.957 10 0 DDAERO COCCC[S@](=O)C[C@@H]([NH3+])c1cc(OC)ccc1OC ZINC000081998904 192352923 /nfs/dbraw/zinc/35/29/23/192352923.db2.gz XYVCOJVSRYMLEV-ZUOKHONESA-N 1 0 301.408 1.489 10 0 DDAERO CC[NH2+][C@@H](CC)CS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000082011684 192352949 /nfs/dbraw/zinc/35/29/49/192352949.db2.gz XPPFXDYHHLVBBD-NSHDSACASA-N 1 0 319.448 1.252 10 0 DDAERO CCN(C1C[NH2+]C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000090291421 185289526 /nfs/dbraw/zinc/28/95/26/185289526.db2.gz RFMXGVFNHRNDOG-UHFFFAOYSA-N 1 0 308.325 1.688 10 0 DDAERO CCN(C(=O)c1cc(OC)ccc1Br)C1C[NH2+]C1 ZINC000090291046 185289549 /nfs/dbraw/zinc/28/95/49/185289549.db2.gz FPBSDWDTVLZMHU-UHFFFAOYSA-N 1 0 313.195 1.892 10 0 DDAERO CC[NH2+]Cc1cn(CC(=O)Nc2ccc(Cl)cc2F)nn1 ZINC000090296377 185289932 /nfs/dbraw/zinc/28/99/32/185289932.db2.gz FMXKJARRTXALSQ-UHFFFAOYSA-N 1 0 311.748 1.819 10 0 DDAERO O=C(c1cc(Cl)cc(Cl)c1)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308643 185290111 /nfs/dbraw/zinc/29/01/11/185290111.db2.gz DYMWXRYZBIIKFT-UHFFFAOYSA-N 1 0 314.216 1.723 10 0 DDAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NC(=O)c1ccc(Br)s1 ZINC000090311407 185290565 /nfs/dbraw/zinc/29/05/65/185290565.db2.gz DYKOARRIAVWKFQ-PJKMHFRUSA-N 1 0 319.224 1.745 10 0 DDAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cncc(Br)c1 ZINC000090324850 185291130 /nfs/dbraw/zinc/29/11/30/185291130.db2.gz NLPOGFMYCZNFDF-UISBYWKRSA-N 1 0 310.195 1.524 10 0 DDAERO COc1ccc(C)cc1S(=O)(=O)N1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C ZINC000090326289 185291244 /nfs/dbraw/zinc/29/12/44/185291244.db2.gz NIMCULTURSEPJC-RWMBFGLXSA-N 1 0 310.419 1.232 10 0 DDAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1CC(=O)NCc1ccc(Cl)cc1 ZINC000090327052 185291322 /nfs/dbraw/zinc/29/13/22/185291322.db2.gz YIMKZKJOXMAABW-UXIGCNINSA-N 1 0 307.825 1.496 10 0 DDAERO Cc1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2(C)C)cc1F ZINC000090336948 185291821 /nfs/dbraw/zinc/29/18/21/185291821.db2.gz BLNJUMNAWGKPAX-YPMHNXCESA-N 1 0 312.410 1.753 10 0 DDAERO CC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cccc(Cl)c1N(C)C ZINC000090489043 185298787 /nfs/dbraw/zinc/29/87/87/185298787.db2.gz MSRJROYRJIMSOU-GWCFXTLKSA-N 1 0 311.813 1.969 10 0 DDAERO C[C@]1(C(=O)Nc2c3nsnc3ccc2Cl)COC[C@H]1[NH3+] ZINC000090605882 185306552 /nfs/dbraw/zinc/30/65/52/185306552.db2.gz KZFXDYOGDFGOBJ-PELKAZGASA-N 1 0 312.782 1.647 10 0 DDAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090604454 185306071 /nfs/dbraw/zinc/30/60/71/185306071.db2.gz SEPIDKWAQPBXMI-IINYFYTJSA-N 1 0 312.391 1.536 10 0 DDAERO O=C(c1ccc[nH]c1=O)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000090700424 185310474 /nfs/dbraw/zinc/31/04/74/185310474.db2.gz 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QMYQMXBUYUDLCU-JTQLQIEISA-N 1 0 311.382 1.267 10 0 DDAERO FC(F)(F)c1cc(Cl)c2nnc(C[C@H]3C[NH2+]CCO3)n2c1 ZINC000091294638 193032907 /nfs/dbraw/zinc/03/29/07/193032907.db2.gz LZKMGATUFJNSID-QMMMGPOBSA-N 1 0 320.702 1.932 10 0 DDAERO COC(=O)c1ccc(Cl)c(NC(=O)C[C@@H]2C[NH2+]CCO2)c1 ZINC000091300052 193034690 /nfs/dbraw/zinc/03/46/90/193034690.db2.gz IVYSHCFUOLTHFV-SNVBAGLBSA-N 1 0 312.753 1.444 10 0 DDAERO CNC(=O)C[C@@H](C[NH3+])N(C)Cc1ccccc1Br ZINC000091315141 193038900 /nfs/dbraw/zinc/03/89/00/193038900.db2.gz JUDBNUSIPKSPRW-NSHDSACASA-N 1 0 314.227 1.344 10 0 DDAERO CC(C)c1c(C[NH2+]C(C)(C)C)cnn1CCS(C)(=O)=O ZINC000091339698 193043604 /nfs/dbraw/zinc/04/36/04/193043604.db2.gz SZHAOMKSZZEIAK-UHFFFAOYSA-N 1 0 301.456 1.939 10 0 DDAERO COCC[NH2+]Cc1cnn([C@@H]2CCS(=O)(=O)C2)c1C(C)C ZINC000091336191 193043954 /nfs/dbraw/zinc/04/39/54/193043954.db2.gz GBQUOYVPTOZQRZ-CYBMUJFWSA-N 1 0 315.439 1.102 10 0 DDAERO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1c[nH]c2cc(N)ccc21 ZINC000091499893 193065154 /nfs/dbraw/zinc/06/51/54/193065154.db2.gz XEROOCZTXDBXHM-JTQLQIEISA-N 1 0 310.423 1.369 10 0 DDAERO CS(=O)(=O)c1ccc(-c2csc([C@H]3C[NH2+]CCO3)n2)cc1 ZINC000091499640 193065406 /nfs/dbraw/zinc/06/54/06/193065406.db2.gz ZHQZEBUKXASOTJ-CYBMUJFWSA-N 1 0 324.427 1.875 10 0 DDAERO C[NH2+][C@H](CCCS(C)(=O)=O)C1(N(C)C)CCC(C)CC1 ZINC000091649235 193084664 /nfs/dbraw/zinc/08/46/64/193084664.db2.gz JFGSRAILTGXYFE-SHARSMKWSA-N 1 0 304.500 1.910 10 0 DDAERO CCc1nn(CC)c(C[C@H]([NH3+])CN(C)C)c1Br ZINC000091719612 193096655 /nfs/dbraw/zinc/09/66/55/193096655.db2.gz HVBYVDGNGDLKLT-VIFPVBQESA-N 1 0 303.248 1.659 10 0 DDAERO CCn1nc(C)c(Cl)c1C[C@H](O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091715514 193097128 /nfs/dbraw/zinc/09/71/28/193097128.db2.gz BQLFFLPFSURRDR-XBFCOCLRSA-N 1 0 313.829 1.631 10 0 DDAERO C[NH2+]C1CCC(N(C)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000091869975 193121186 /nfs/dbraw/zinc/12/11/86/193121186.db2.gz UQENTGNJRKEWOZ-UHFFFAOYSA-N 1 0 300.399 1.977 10 0 DDAERO COc1ccc([C@@H](O)[C@]2(C[NH3+])CCOC2)cc1OC(F)F ZINC000091909132 193124691 /nfs/dbraw/zinc/12/46/91/193124691.db2.gz OXCCBIMLMLZYEC-OCCSQVGLSA-N 1 0 303.305 1.695 10 0 DDAERO CC(C)(C)C1CCC(C[NH3+])([C@]2(O)CCS(=O)(=O)C2)CC1 ZINC000091907470 193125008 /nfs/dbraw/zinc/12/50/08/193125008.db2.gz MOYJYJOBBJMNOH-ZALBZXLWSA-N 1 0 303.468 1.717 10 0 DDAERO Brc1cn2c(C[NH2+]C3CCOCC3)cnc2cn1 ZINC000092049295 193148538 /nfs/dbraw/zinc/14/85/38/193148538.db2.gz FSGANZYEGVTGBS-UHFFFAOYSA-N 1 0 311.183 1.760 10 0 DDAERO Cc1n[nH]c(C[NH2+]C2CC2)c1S(=O)(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000092113761 193161090 /nfs/dbraw/zinc/16/10/90/193161090.db2.gz XEHZDDAUSXULLE-NXEZZACHSA-N 1 0 312.439 1.247 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N(C)[C@@H](C)C2CC2)c(F)c1 ZINC000092115691 193163425 /nfs/dbraw/zinc/16/34/25/193163425.db2.gz IEFRZZNBVODHLI-JTQLQIEISA-N 1 0 300.399 1.964 10 0 DDAERO CCN([C@@H](C)COC)S(=O)(=O)c1ccc(C[NH2+]C)cc1F ZINC000092115982 193164154 /nfs/dbraw/zinc/16/41/54/193164154.db2.gz ALHXTUWOLQLUJH-NSHDSACASA-N 1 0 318.414 1.591 10 0 DDAERO CCOc1cccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)c1 ZINC000261885441 203144827 /nfs/dbraw/zinc/14/48/27/203144827.db2.gz FWAVPGNLWXDWDL-CVEARBPZSA-N 1 0 314.389 1.761 10 0 DDAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2cccc3[nH]ccc32)cn1 ZINC000261904727 203149747 /nfs/dbraw/zinc/14/97/47/203149747.db2.gz ICPQQDNFQBDJBQ-KGLIPLIRSA-N 1 0 309.373 1.843 10 0 DDAERO CCS(=O)(=O)CC[C@H](C[NH2+]CCOC)c1cccc(F)c1 ZINC000093165132 193209729 /nfs/dbraw/zinc/20/97/29/193209729.db2.gz FUOJDAHZJBNZRO-CQSZACIVSA-N 1 0 317.426 1.970 10 0 DDAERO [NH3+]C[C@H](c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000093151704 193208746 /nfs/dbraw/zinc/20/87/46/193208746.db2.gz GCMXPZOQCOVPLF-CMPLNLGQSA-N 1 0 318.236 1.926 10 0 DDAERO Cc1ccc(O)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)c1 ZINC000262359324 203272289 /nfs/dbraw/zinc/27/22/89/203272289.db2.gz VBYDYFIOWORSMY-OLZOCXBDSA-N 1 0 300.362 1.376 10 0 DDAERO COCC[NH2+]C[C@@H](CCS(C)(=O)=O)c1cccc(F)c1 ZINC000093165147 193210001 /nfs/dbraw/zinc/21/00/01/193210001.db2.gz OWKLPDTXVCUAGI-CYBMUJFWSA-N 1 0 303.399 1.580 10 0 DDAERO COC(=O)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000093210909 193216654 /nfs/dbraw/zinc/21/66/54/193216654.db2.gz JTDZNAPUVDAXOH-VXGBXAGGSA-N 1 0 300.399 1.975 10 0 DDAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC000093207548 193216825 /nfs/dbraw/zinc/21/68/25/193216825.db2.gz NLXXSYJUTRVERY-GHMZBOCLSA-N 1 0 306.428 1.066 10 0 DDAERO CN1C(=[NH2+])NC[C@H]1c1cc(Br)c2c(c1)OCCO2 ZINC000093357612 193236832 /nfs/dbraw/zinc/23/68/32/193236832.db2.gz FZUVYEJCGCXBPG-VIFPVBQESA-N 1 0 312.167 1.522 10 0 DDAERO COc1ccc([C@H](O)CNC(=O)[C@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000262671526 203374971 /nfs/dbraw/zinc/37/49/71/203374971.db2.gz RUVVYLHWYQSFGQ-IAGOWNOFSA-N 1 0 314.385 1.853 10 0 DDAERO CNS(=O)(=O)c1ccc(C)c(N[C@@H](C)C[C@H]2CCC[NH2+]2)c1 ZINC000093464903 193255791 /nfs/dbraw/zinc/25/57/91/193255791.db2.gz QVUGPYKKWMIPNJ-QWHCGFSZSA-N 1 0 311.451 1.846 10 0 DDAERO CC(C)(CN1CC[NH2+][C@@](C)(c2ccccc2)C1)S(C)(=O)=O ZINC000093525835 193264096 /nfs/dbraw/zinc/26/40/96/193264096.db2.gz UJNAENUKIGICRF-MRXNPFEDSA-N 1 0 310.463 1.630 10 0 DDAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@H]1CCN(C)CC(F)(F)F ZINC000093589444 193271367 /nfs/dbraw/zinc/27/13/67/193271367.db2.gz ZWMALUTXHPCYLR-WCQYABFASA-N 1 0 309.376 1.894 10 0 DDAERO C[NH2+][C@]1(C(N)=O)CCC[C@H]1CCn1cc(Br)cn1 ZINC000093598369 193273231 /nfs/dbraw/zinc/27/32/31/193273231.db2.gz RIGHHUALUIVOOW-JOYOIKCWSA-N 1 0 315.215 1.279 10 0 DDAERO CS(=O)(=O)N1CCC[C@H](C[NH2+]CCc2ccc(F)cc2)C1 ZINC000093696079 193291877 /nfs/dbraw/zinc/29/18/77/193291877.db2.gz KSJQSLZBWGYNTH-CQSZACIVSA-N 1 0 314.426 1.629 10 0 DDAERO CC[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccn(C)n1 ZINC000093700531 193294194 /nfs/dbraw/zinc/29/41/94/193294194.db2.gz OKJXRMJOHSGMHL-JSGCOSHPSA-N 1 0 314.455 1.132 10 0 DDAERO CC(C)(C)[NH2+]CC[C@](C)(O)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702861 193295345 /nfs/dbraw/zinc/29/53/45/193295345.db2.gz QNHBIZKPFVFGAM-ZFWWWQNUSA-N 1 0 320.499 1.577 10 0 DDAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@H](Sc2nncs2)C1 ZINC000093777989 193304485 /nfs/dbraw/zinc/30/44/85/193304485.db2.gz VQWMQXQPNRMPCO-CABZTGNLSA-N 1 0 300.453 1.797 10 0 DDAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2ccc(C(=O)NC3CC3)cc2)C1 ZINC000093987513 193335682 /nfs/dbraw/zinc/33/56/82/193335682.db2.gz QVFKFQPUGDTRDC-HZPDHXFCSA-N 1 0 315.417 1.791 10 0 DDAERO CC[NH2+][C@]1(C(N)=O)CC[C@H](N2CCC(C(F)(F)F)CC2)C1 ZINC000093831908 193314416 /nfs/dbraw/zinc/31/44/16/193314416.db2.gz HKVFLANDKKBBOV-WCQYABFASA-N 1 0 307.360 1.647 10 0 DDAERO CCOC(=O)[C@@]1([NH3+])CC[C@H](Sc2ncnc3[nH]cnc32)C1 ZINC000093852126 193319012 /nfs/dbraw/zinc/31/90/12/193319012.db2.gz ZVFQXAZZQQIFQD-ISVAXAHUSA-N 1 0 307.379 1.258 10 0 DDAERO NC(=O)[C@@]1([NH3+])CC[C@@H](Sc2ccc(Br)cn2)C1 ZINC000093853933 193320027 /nfs/dbraw/zinc/32/00/27/193320027.db2.gz PEPHZTHBPFXJCL-LDYMZIIASA-N 1 0 316.224 1.672 10 0 DDAERO CCN(Cc1cc(=O)n2c(C)csc2n1)CC(C)(C)C[NH3+] ZINC000093891496 193324234 /nfs/dbraw/zinc/32/42/34/193324234.db2.gz VCBHPPKGUCWMDC-UHFFFAOYSA-N 1 0 308.451 1.871 10 0 DDAERO CC1CCN(S(=O)(=O)N(CC2CC[NH2+]CC2)C2CC2)CC1 ZINC000094024152 193339234 /nfs/dbraw/zinc/33/92/34/193339234.db2.gz ZBJZBMZKCUXVSF-UHFFFAOYSA-N 1 0 315.483 1.427 10 0 DDAERO CN(CCS(C)(=O)=O)[C@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000094297860 193356740 /nfs/dbraw/zinc/35/67/40/193356740.db2.gz LPAFJCRIRVXIGE-GFCCVEGCSA-N 1 0 324.368 1.682 10 0 DDAERO CC[NH2+][C@@H](CN(C)CCS(C)(=O)=O)c1ccccc1OC ZINC000094298391 193358010 /nfs/dbraw/zinc/35/80/10/193358010.db2.gz IBPFPPMHPCCKQS-AWEZNQCLSA-N 1 0 314.451 1.322 10 0 DDAERO CCC[NH2+][C@H]1[C@H](S(=O)(=O)CC(=O)OCC)CCC1(C)C ZINC000094311370 193358262 /nfs/dbraw/zinc/35/82/62/193358262.db2.gz XLOLOKJTOUVUQD-YPMHNXCESA-N 1 0 305.440 1.521 10 0 DDAERO CC[C@H]([NH3+])Cc1cc(F)ccc1N(C)CCS(C)(=O)=O ZINC000094301361 193358340 /nfs/dbraw/zinc/35/83/40/193358340.db2.gz ZKNAEEKYAFLTHB-ZDUSSCGKSA-N 1 0 302.415 1.586 10 0 DDAERO CN(CCS(C)(=O)=O)c1nc2ccccc2cc1CC[NH3+] ZINC000094301391 193358506 /nfs/dbraw/zinc/35/85/06/193358506.db2.gz YQKHPVJNMPYXQL-UHFFFAOYSA-N 1 0 307.419 1.217 10 0 DDAERO CN(CCS(C)(=O)=O)C[C@]1(C[NH2+]C(C)(C)C)CCCOC1 ZINC000094300594 193358687 /nfs/dbraw/zinc/35/86/87/193358687.db2.gz QZWFXHZQXGFGRI-OAHLLOKOSA-N 1 0 320.499 1.148 10 0 DDAERO CC[NH2+][C@@H]1CCCc2sc(N(C)CCS(C)(=O)=O)nc21 ZINC000094301122 193358697 /nfs/dbraw/zinc/35/86/97/193358697.db2.gz BPZBQYQOYFZHKQ-SNVBAGLBSA-N 1 0 317.480 1.611 10 0 DDAERO NC(=O)c1ccc(C(F)(F)F)nc1N1CCCC[C@@H]1C[NH3+] ZINC000094337357 193361349 /nfs/dbraw/zinc/36/13/49/193361349.db2.gz YCLUVBSIHKPSSU-MRVPVSSYSA-N 1 0 302.300 1.517 10 0 DDAERO NC(=O)c1ccc(C(F)(F)F)nc1N[C@H]1CCC[C@H]1C[NH3+] ZINC000094337547 193361373 /nfs/dbraw/zinc/36/13/73/193361373.db2.gz KOVWGLMNECYGDH-CBAPKCEASA-N 1 0 302.300 1.739 10 0 DDAERO CS(=O)(=O)c1ccccc1N1CCC(OCCC[NH3+])CC1 ZINC000094073192 193342938 /nfs/dbraw/zinc/34/29/38/193342938.db2.gz DTCFYVUCQCEWQL-UHFFFAOYSA-N 1 0 312.435 1.424 10 0 DDAERO CCC([NH3+])(CC)C(=O)Nc1ccc(NS(=O)(=O)CC)cc1 ZINC000094244409 193354758 /nfs/dbraw/zinc/35/47/58/193354758.db2.gz KDRRUNVXEMCIKF-UHFFFAOYSA-N 1 0 313.423 1.904 10 0 DDAERO CNS(=O)(=O)c1ccc(NC(=O)[C@H](C[NH3+])CC(C)C)cc1 ZINC000094697919 193391972 /nfs/dbraw/zinc/39/19/72/193391972.db2.gz YPPCRWZCVWYZDP-NSHDSACASA-N 1 0 313.423 1.154 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(N)cs1 ZINC000094457291 193370832 /nfs/dbraw/zinc/37/08/32/193370832.db2.gz YGHLASZMPXYAEG-GXSJLCMTSA-N 1 0 301.437 1.188 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(F)ccc1N ZINC000094457278 193371926 /nfs/dbraw/zinc/37/19/26/193371926.db2.gz CVIPJHZHAGTWFI-ZYHUDNBSSA-N 1 0 313.398 1.265 10 0 DDAERO CCN(CCC[NH2+][C@H]1CSCC(C)(C)C1)S(C)(=O)=O ZINC000094488439 193373824 /nfs/dbraw/zinc/37/38/24/193373824.db2.gz MRDBTUFGPNQASF-GFCCVEGCSA-N 1 0 308.513 1.779 10 0 DDAERO C[C@H]1C[C@@H]([NH3+])CN(S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000094550132 193378861 /nfs/dbraw/zinc/37/88/61/193378861.db2.gz JPOWDGYJEZXPHL-JGVFFNPUSA-N 1 0 308.325 1.462 10 0 DDAERO C[C@@H]1C[C@@H]([NH3+])CN(c2nc(C(F)(F)F)ccc2C(N)=O)C1 ZINC000094553382 193379217 /nfs/dbraw/zinc/37/92/17/193379217.db2.gz OSISAAKOVSTQBC-HTQZYQBOSA-N 1 0 302.300 1.373 10 0 DDAERO COc1cc(Cl)c(NC(=O)[C@H]2CC[C@H](C[NH3+])O2)cc1OC ZINC000094566483 193380605 /nfs/dbraw/zinc/38/06/05/193380605.db2.gz UCYCGYGQFIXYSW-LDYMZIIASA-N 1 0 314.769 1.802 10 0 DDAERO CNC(=O)c1cc(NC(=O)[C@H]2CC[C@H](C[NH3+])O2)ccc1Cl ZINC000094567515 193380878 /nfs/dbraw/zinc/38/08/78/193380878.db2.gz ABLJFVSEZSLSHG-BXKDBHETSA-N 1 0 311.769 1.144 10 0 DDAERO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000094596905 193382492 /nfs/dbraw/zinc/38/24/92/193382492.db2.gz SSVKJUQQVNPJLV-QWRGUYRKSA-N 1 0 306.259 1.561 10 0 DDAERO [NH3+]C[C@H]1CCCN(c2nc3ccc(Br)cn3n2)C1 ZINC000094607663 193384649 /nfs/dbraw/zinc/38/46/49/193384649.db2.gz TVMFLWZZVQFKDA-SECBINFHSA-N 1 0 310.199 1.667 10 0 DDAERO CC(C)(C)[NH2+]Cc1ccc(CN2CCS(=O)(=O)CC2)nc1 ZINC000094756894 193395372 /nfs/dbraw/zinc/39/53/72/193395372.db2.gz FONKQUFDCNLBEI-UHFFFAOYSA-N 1 0 311.451 1.200 10 0 DDAERO CCC[C@@H](C(N)=S)[NH+]1CCN(C(=O)[C@]2(C)CCCO2)CC1 ZINC000094789355 193398340 /nfs/dbraw/zinc/39/83/40/193398340.db2.gz RSROSRPKXHUTGW-WFASDCNBSA-N 1 0 313.467 1.155 10 0 DDAERO Cc1ccc(C(=O)CCC(=O)OCCN2CC[NH2+]CC2)cc1 ZINC000096586859 193681351 /nfs/dbraw/zinc/68/13/51/193681351.db2.gz OFJHXSUKSQVMHV-UHFFFAOYSA-N 1 0 304.390 1.406 10 0 DDAERO CC(C)(O)C[NH+]1CCN(c2cc(F)c(Cl)cc2N)CC1 ZINC000097361978 193710858 /nfs/dbraw/zinc/71/08/58/193710858.db2.gz HWZTVEZFKYDFCL-UHFFFAOYSA-N 1 0 301.793 1.954 10 0 DDAERO C[C@H](C(=O)Nc1ccc(Br)cn1)N1CC[NH2+]CC1 ZINC000020521390 182226768 /nfs/dbraw/zinc/22/67/68/182226768.db2.gz HQYXBEUPJSGTHZ-SECBINFHSA-N 1 0 313.199 1.076 10 0 DDAERO CC[NH+](CC)CCNC(=O)/C(=C\c1ccccc1C)NC(C)=O ZINC000020609497 182238526 /nfs/dbraw/zinc/23/85/26/182238526.db2.gz PLWPBNQIYSXKKT-GHRIWEEISA-N 1 0 317.433 1.930 10 0 DDAERO CCC[NH+]1CCN(CC(=O)Nc2ccc(N)cc2Cl)CC1 ZINC000021807928 182291718 /nfs/dbraw/zinc/29/17/18/182291718.db2.gz IKEMBBMMWGQASQ-UHFFFAOYSA-N 1 0 310.829 1.888 10 0 DDAERO CCCSCC(=O)N1CCC[C@H](Cn2cc(C[NH3+])nn2)C1 ZINC000023543767 182363069 /nfs/dbraw/zinc/36/30/69/182363069.db2.gz IPWUDSBTUCNDER-LBPRGKRZSA-N 1 0 311.455 1.119 10 0 DDAERO Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C[NH2+][C@@H](C)C(C)C ZINC000035161954 182758163 /nfs/dbraw/zinc/75/81/63/182758163.db2.gz PHLRIPYYGPQMFK-FZMZJTMJSA-N 1 0 313.467 1.994 10 0 DDAERO Cn1cc(Br)cc1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261588557 248576193 /nfs/dbraw/zinc/57/61/93/248576193.db2.gz VTZRYCXEDIDQFL-ONGXEEELSA-N 1 0 312.211 1.612 10 0 DDAERO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CC[NH3+] ZINC000037720880 182920270 /nfs/dbraw/zinc/92/02/70/182920270.db2.gz YLHIFTROGLGFDS-QMMMGPOBSA-N 1 0 301.184 1.464 10 0 DDAERO OC[C@@H](c1ccc(Br)cc1F)N1CCC[NH2+]CC1 ZINC000038117496 182992837 /nfs/dbraw/zinc/99/28/37/182992837.db2.gz NPSLEIRABZLLHR-ZDUSSCGKSA-N 1 0 317.202 1.917 10 0 DDAERO Cc1ncsc1CCOC[C@H](O)C[NH2+]C[C@@H]1CCCOC1 ZINC000038045392 182979066 /nfs/dbraw/zinc/97/90/66/182979066.db2.gz UTRKQIRIYOLSKT-UONOGXRCSA-N 1 0 314.451 1.388 10 0 DDAERO CS(=O)(=O)CCC[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000040671505 183115450 /nfs/dbraw/zinc/11/54/50/183115450.db2.gz SKUUKRNYLLKCRL-INIZCTEOSA-N 1 0 310.463 1.328 10 0 DDAERO CC(C)(C)c1cc(NC(=O)CN2CC[C@@]3(CCC[NH2+]3)C2)on1 ZINC000333822532 249118568 /nfs/dbraw/zinc/11/85/68/249118568.db2.gz HXEVVYWSWNKQIR-INIZCTEOSA-N 1 0 306.410 1.739 10 0 DDAERO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(Br)cn2C)C1 ZINC000040595960 183106976 /nfs/dbraw/zinc/10/69/76/183106976.db2.gz GJGICMHBYGJNRW-JTQLQIEISA-N 1 0 314.227 1.859 10 0 DDAERO Cc1cc(N)cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000040621172 183109721 /nfs/dbraw/zinc/10/97/21/183109721.db2.gz ARRSMMWJWYMBCJ-CYBMUJFWSA-N 1 0 311.451 1.586 10 0 DDAERO CC[C@H]([NH3+])C(=O)NCCc1ccc(OC(F)F)c(OC)c1 ZINC000040832969 183139488 /nfs/dbraw/zinc/13/94/88/183139488.db2.gz IVQIOXMFBVGIGM-JTQLQIEISA-N 1 0 302.321 1.693 10 0 DDAERO CC(C)CN(CC[NH+](C)C)S(=O)(=O)c1cc(N)cs1 ZINC000041068407 183162642 /nfs/dbraw/zinc/16/26/42/183162642.db2.gz ZFLZBQOQRYWGQO-UHFFFAOYSA-N 1 0 305.469 1.539 10 0 DDAERO CCOC(=O)CCNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C)c1 ZINC000041681734 183216399 /nfs/dbraw/zinc/21/63/99/183216399.db2.gz ZZGJVCSBKZEVNK-LLVKDONJSA-N 1 0 314.407 1.199 10 0 DDAERO [NH3+]CC1(N2CCc3sccc3C2)CCS(=O)(=O)CC1 ZINC000042332183 183255111 /nfs/dbraw/zinc/25/51/11/183255111.db2.gz LNDADZJYCQTTKY-UHFFFAOYSA-N 1 0 300.449 1.012 10 0 DDAERO CCN(C[C@H](C)C[NH3+])S(=O)(=O)c1cccc2cnccc21 ZINC000042441983 183271084 /nfs/dbraw/zinc/27/10/84/183271084.db2.gz PJCWUPUCMBAGPF-GFCCVEGCSA-N 1 0 307.419 1.840 10 0 DDAERO CC(C)[NH2+]CCCS(=O)(=O)NCCOc1ccccc1 ZINC000042898221 183317233 /nfs/dbraw/zinc/31/72/33/183317233.db2.gz JRBBISRANCDVAF-UHFFFAOYSA-N 1 0 300.424 1.373 10 0 DDAERO Cn1nnnc1S[C@H](C[NH3+])c1ccccc1Br ZINC000043095707 183337371 /nfs/dbraw/zinc/33/73/71/183337371.db2.gz AJJAUPSJIXYULP-SECBINFHSA-N 1 0 314.212 1.765 10 0 DDAERO CC(=O)N1CCCN([C@H](C[NH3+])c2ccc(Cl)s2)CC1 ZINC000043254129 183347817 /nfs/dbraw/zinc/34/78/17/183347817.db2.gz BYPYFEYJAJWXTF-LLVKDONJSA-N 1 0 301.843 1.956 10 0 DDAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Br)N(CCO)CCO ZINC000043092457 183335651 /nfs/dbraw/zinc/33/56/51/183335651.db2.gz OJYRFLJQFNWTJQ-MFKMUULPSA-N 1 0 317.227 1.124 10 0 DDAERO COCCCNC(=O)COc1ccc(CC[NH3+])cc1Cl ZINC000043490935 183366320 /nfs/dbraw/zinc/36/63/20/183366320.db2.gz CKUBJZQZPRXTCS-UHFFFAOYSA-N 1 0 300.786 1.373 10 0 DDAERO COCCCNC(=O)[C@H](C)[N@H+](CCC(N)=S)CC(C)C ZINC000043418452 183360862 /nfs/dbraw/zinc/36/08/62/183360862.db2.gz FNSWPIQPEZKICO-LBPRGKRZSA-N 1 0 303.472 1.162 10 0 DDAERO C[NH2+][C@@H]1CCC2(C[C@@H]1N(CC(F)(F)F)C1CC1)OCCO2 ZINC000043982671 183392318 /nfs/dbraw/zinc/39/23/18/183392318.db2.gz SHGKOEJDDXYPSV-NEPJUHHUSA-N 1 0 308.344 1.897 10 0 DDAERO [NH3+]CC1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000044514738 183417606 /nfs/dbraw/zinc/41/76/06/183417606.db2.gz XNOFDRGHMUFGJN-UHFFFAOYSA-N 1 0 304.362 1.858 10 0 DDAERO Cc1ccncc1NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000105533142 194109904 /nfs/dbraw/zinc/10/99/04/194109904.db2.gz CLTNBSXNAASXII-CYBMUJFWSA-N 1 0 306.410 1.421 10 0 DDAERO COCC[NH2+]CC(=O)Nc1cc(C(=O)OC)ccc1Cl ZINC000105785346 194127578 /nfs/dbraw/zinc/12/75/78/194127578.db2.gz MNEZCVHNSVLQQP-UHFFFAOYSA-N 1 0 300.742 1.301 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cnn(-c3ccccc3)c2)C[C@H]1C ZINC000105823249 194138444 /nfs/dbraw/zinc/13/84/44/194138444.db2.gz FZMKUOUXIYGUTE-HZPDHXFCSA-N 1 0 314.433 1.759 10 0 DDAERO CC[C@H]1CN(Cc2cc(C(=O)OC)c(C)o2)CC[N@@H+]1C[C@@H](C)O ZINC000105825056 194138865 /nfs/dbraw/zinc/13/88/65/194138865.db2.gz WDDZUQYQLKYNGI-OCCSQVGLSA-N 1 0 324.421 1.652 10 0 DDAERO COCC[N@@H+]1CCN(Cc2cn3cc(C)ccc3n2)C[C@H]1C ZINC000105913630 194168817 /nfs/dbraw/zinc/16/88/17/194168817.db2.gz FFOHZWKCHJAYFN-OAHLLOKOSA-N 1 0 302.422 1.795 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)NCCOc2ccc(F)cc2F)C1 ZINC000106563929 194231054 /nfs/dbraw/zinc/23/10/54/194231054.db2.gz MESNNYRAJSWEOA-GFCCVEGCSA-N 1 0 313.348 1.689 10 0 DDAERO Cc1nc(C)c([C@H](C)NS(=O)(=O)C[C@H]2CCC[NH2+]2)s1 ZINC000049646255 183751648 /nfs/dbraw/zinc/75/16/48/183751648.db2.gz NTKGINDPXYXQPW-GXSJLCMTSA-N 1 0 303.453 1.492 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN(C(=O)Nc2ccccc2)CC1 ZINC000109466547 194266472 /nfs/dbraw/zinc/26/64/72/194266472.db2.gz RLFBSYAPQXRTAZ-CYBMUJFWSA-N 1 0 306.435 1.901 10 0 DDAERO CC[NH2+][C@H](C)c1cccc(S(=O)(=O)N[C@H]2CCCOC2)c1 ZINC000109550555 194272569 /nfs/dbraw/zinc/27/25/69/194272569.db2.gz XALSADHCIJYVGW-OCCSQVGLSA-N 1 0 312.435 1.814 10 0 DDAERO C[C@@H](C(N)=S)[NH+]1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000109466459 194267334 /nfs/dbraw/zinc/26/73/34/194267334.db2.gz UALGCVJEUNTUFV-JTQLQIEISA-N 1 0 310.398 1.650 10 0 DDAERO CCC[NH2+][C@H]1CCCC[C@@H]1c1nc(CS(C)(=O)=O)no1 ZINC000109512644 194270288 /nfs/dbraw/zinc/27/02/88/194270288.db2.gz DCABARLAXCAYDC-QWRGUYRKSA-N 1 0 301.412 1.640 10 0 DDAERO CC[C@H](C[NH3+])N1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000110779096 194357908 /nfs/dbraw/zinc/35/79/08/194357908.db2.gz QEFALPIRHLJQOA-GFCCVEGCSA-N 1 0 305.451 1.859 10 0 DDAERO CN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(Cl)cc1F ZINC000110928353 194370115 /nfs/dbraw/zinc/37/01/15/194370115.db2.gz MXUWFQJGPYPUIP-SNVBAGLBSA-N 1 0 306.790 1.852 10 0 DDAERO COc1ccc(S(=O)(=O)N(C)[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000110928402 194370506 /nfs/dbraw/zinc/37/05/06/194370506.db2.gz ILEBQHMCZZASGS-LLVKDONJSA-N 1 0 314.407 1.076 10 0 DDAERO CCCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1cncc(F)c1 ZINC000110942410 194372487 /nfs/dbraw/zinc/37/24/87/194372487.db2.gz WTHGIVOPVBPEFH-GFCCVEGCSA-N 1 0 301.387 1.373 10 0 DDAERO Cc1ccc([C@@H](C[NH3+])N(C)[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000110977194 194376222 /nfs/dbraw/zinc/37/62/22/194376222.db2.gz UYAKBUBRSUGSDO-TZMCWYRMSA-N 1 0 300.399 1.253 10 0 DDAERO COc1cccc([C@H](SCCS(C)(=O)=O)[C@H](C)[NH3+])c1 ZINC000111004177 194380879 /nfs/dbraw/zinc/38/08/79/194380879.db2.gz RTMNXZGVGFHIBA-GXFFZTMASA-N 1 0 303.449 1.861 10 0 DDAERO COCCCN(CCOC)[C@@H](C[NH3+])c1cccc(F)c1F ZINC000111039681 194386603 /nfs/dbraw/zinc/38/66/03/194386603.db2.gz FUBWHDUUFSTBPT-AWEZNQCLSA-N 1 0 302.365 1.950 10 0 DDAERO CCOCCN(CC)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000111121518 194391956 /nfs/dbraw/zinc/39/19/56/194391956.db2.gz FAAIMEXQTZCUPR-UHFFFAOYSA-N 1 0 300.424 1.334 10 0 DDAERO CC[NH+](CC)CCCNC(=O)C(=O)N1c2ccccc2C[C@H]1C ZINC000059768169 184141034 /nfs/dbraw/zinc/14/10/34/184141034.db2.gz IWCQQNYATMMBLV-CQSZACIVSA-N 1 0 317.433 1.812 10 0 DDAERO C[NH2+][C@@H](Cc1cc(Br)cs1)CS(C)(=O)=O ZINC000060705778 184154722 /nfs/dbraw/zinc/15/47/22/184154722.db2.gz GWPPWPWCIHCEFR-QMMMGPOBSA-N 1 0 312.254 1.686 10 0 DDAERO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1ccc(Br)cn1 ZINC000061873013 184190669 /nfs/dbraw/zinc/19/06/69/184190669.db2.gz NLIBGYJLLIXWNY-GFCCVEGCSA-N 1 0 310.195 1.668 10 0 DDAERO CN(c1nc(Cl)nc(N2CCCC2)n1)C1CC[NH+](C)CC1 ZINC000061535187 184172373 /nfs/dbraw/zinc/17/23/73/184172373.db2.gz AFMOPWDLUCJXHG-UHFFFAOYSA-N 1 0 310.833 1.656 10 0 DDAERO CC(C)[C@@H](C[NH+](C)C)Nc1nc(Cl)nc(-n2cncn2)n1 ZINC000061539293 184173716 /nfs/dbraw/zinc/17/37/16/184173716.db2.gz ITGZRKRVRXWWJZ-SECBINFHSA-N 1 0 310.793 1.104 10 0 DDAERO Cn1c(Sc2ccc(C(F)(F)F)cc2C(N)=[NH2+])n[nH]c1=O ZINC000061592863 184175629 /nfs/dbraw/zinc/17/56/29/184175629.db2.gz UCFBKTVRAGIHLF-UHFFFAOYSA-N 1 0 317.296 1.562 10 0 DDAERO CC[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C1CC1)c1ccncc1 ZINC000061594549 184176221 /nfs/dbraw/zinc/17/62/21/184176221.db2.gz GEEPTAVGLQEVHF-VXGBXAGGSA-N 1 0 305.407 1.872 10 0 DDAERO NC(=S)c1ccccc1NC(=O)CCC[N@@H+]1CC[C@@H](O)C1 ZINC000061710440 184185062 /nfs/dbraw/zinc/18/50/62/184185062.db2.gz ZQKSXLXSAQJPGA-LLVKDONJSA-N 1 0 307.419 1.106 10 0 DDAERO C[C@H]1CN(c2ncc(Br)cc2C[NH3+])CCCO1 ZINC000061935287 184196579 /nfs/dbraw/zinc/19/65/79/184196579.db2.gz ZSFRQZAITCECMP-VIFPVBQESA-N 1 0 300.200 1.918 10 0 DDAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N2CCCOCC2)cc1 ZINC000061936925 184196965 /nfs/dbraw/zinc/19/69/65/184196965.db2.gz IBCQMFUIITXWFW-UHFFFAOYSA-N 1 0 312.435 1.597 10 0 DDAERO Cc1nn(C)c(C)c1S(=O)(=O)N(C)c1cccc(C[NH3+])c1 ZINC000061950505 184198380 /nfs/dbraw/zinc/19/83/80/184198380.db2.gz MLJAASQZDGKWQH-UHFFFAOYSA-N 1 0 308.407 1.321 10 0 DDAERO C[C@H]1CC[C@@H](C(=O)N2CCN(CC(F)(F)F)CC2)C[C@@H]1[NH3+] ZINC000061950847 184198528 /nfs/dbraw/zinc/19/85/28/184198528.db2.gz ISBUOTGLHZNJCZ-TUAOUCFPSA-N 1 0 307.360 1.456 10 0 DDAERO Clc1ccc(-n2cnnn2)cc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000061981491 184199803 /nfs/dbraw/zinc/19/98/03/184199803.db2.gz CRCNVZGSUPKJIR-SNVBAGLBSA-N 1 0 304.785 1.964 10 0 DDAERO C[C@H]1CC[C@@H](CNS(=O)(=O)c2ccc(F)c(F)c2)C[NH2+]1 ZINC000062037516 184202669 /nfs/dbraw/zinc/20/26/69/184202669.db2.gz AFTACZWOWNROPI-VHSXEESVSA-N 1 0 304.362 1.631 10 0 DDAERO Cc1ccc(CNS(=O)(=O)c2ccc(CC[NH3+])s2)cn1 ZINC000062037937 184202770 /nfs/dbraw/zinc/20/27/70/184202770.db2.gz QYOCWOCPIXXDCP-UHFFFAOYSA-N 1 0 311.432 1.431 10 0 DDAERO CCC[NH2+][C@@H]1CCCCC[C@H]1N1CCN(S(C)(=O)=O)CC1 ZINC000062083991 184205078 /nfs/dbraw/zinc/20/50/78/184205078.db2.gz AWHKMUPIYJGYBU-HUUCEWRRSA-N 1 0 317.499 1.265 10 0 DDAERO C[NH+](C)CCC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000062187203 184216822 /nfs/dbraw/zinc/21/68/22/184216822.db2.gz LJBBSZYNIVCCOI-UHFFFAOYSA-N 1 0 323.824 1.576 10 0 DDAERO CCCN[C@H](CC[N@@H+]1CCC[C@H](OCC)C1)C(=O)OCC ZINC000062527194 184241475 /nfs/dbraw/zinc/24/14/75/184241475.db2.gz ARPRIUBKKVDSTB-LSDHHAIUSA-N 1 0 300.443 1.809 10 0 DDAERO C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCC(=O)N1c1ccccc1 ZINC000062364789 184232757 /nfs/dbraw/zinc/23/27/57/184232757.db2.gz ISKMWPZUQVUVEC-AWEZNQCLSA-N 1 0 303.406 1.638 10 0 DDAERO CCNS(=O)(=O)NC[C@H](c1ccc(C)cc1)[NH+](CC)CC ZINC000062361704 184233131 /nfs/dbraw/zinc/23/31/31/184233131.db2.gz MIJQUKMCKLBMRT-OAHLLOKOSA-N 1 0 313.467 1.822 10 0 DDAERO CCCNS(=O)(=O)NC[C@@H](c1cccs1)[NH+](CC)CC ZINC000062359555 184233269 /nfs/dbraw/zinc/23/32/69/184233269.db2.gz CXZXHFKIDWYAQS-LBPRGKRZSA-N 1 0 319.496 1.965 10 0 DDAERO COCC[NH2+]Cc1cc(Cl)c(O[C@@H](C)C(N)=O)c(OC)c1 ZINC000062727873 184250840 /nfs/dbraw/zinc/25/08/40/184250840.db2.gz CMLSWSVAEVPGNR-VIFPVBQESA-N 1 0 316.785 1.337 10 0 DDAERO C[C@]1(C(=O)Nc2cc(S(C)(=O)=O)ccc2F)CC[NH2+]C1 ZINC000062892887 184258391 /nfs/dbraw/zinc/25/83/91/184258391.db2.gz GROYYUXMJTWIDB-ZDUSSCGKSA-N 1 0 300.355 1.167 10 0 DDAERO CCC[C@]1(C(=O)N2CCN(CC(F)(F)F)CC2)CC[NH2+]C1 ZINC000062900294 184258906 /nfs/dbraw/zinc/25/89/06/184258906.db2.gz YJKATULZAXBMDD-ZDUSSCGKSA-N 1 0 307.360 1.473 10 0 DDAERO CCCn1cc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])nc1C ZINC000063193931 184277480 /nfs/dbraw/zinc/27/74/80/184277480.db2.gz BDZWCLRTLAOXIC-YPMHNXCESA-N 1 0 314.455 1.492 10 0 DDAERO [NH3+]C[C@@H](c1ccc(Cl)s1)N1CC[C@H](N2CCOCC2)C1 ZINC000062977902 184264392 /nfs/dbraw/zinc/26/43/92/184264392.db2.gz MYEPGXDKRLNSEH-RYUDHWBXSA-N 1 0 315.870 1.808 10 0 DDAERO CC(C)Oc1nc(Cl)nc(N2CC[C@H]([NH+]3CCCC3)C2)n1 ZINC000062983367 184264466 /nfs/dbraw/zinc/26/44/66/184264466.db2.gz LREXQOLUKAMKDE-NSHDSACASA-N 1 0 311.817 1.987 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(Br)cnc2N)C1 ZINC000062984682 184265162 /nfs/dbraw/zinc/26/51/62/184265162.db2.gz SOUPYBXPMVMSIR-SECBINFHSA-N 1 0 313.199 1.202 10 0 DDAERO Cn1ccc(S(=O)(=O)N2C[C@@H](CC[NH3+])c3ccccc32)c1 ZINC000063128371 184271903 /nfs/dbraw/zinc/27/19/03/184271903.db2.gz RWGHMYUCLLPYMW-GFCCVEGCSA-N 1 0 305.403 1.666 10 0 DDAERO CS(=O)(=O)c1ccc(SC[C@H](O)C[NH2+]C2CC2)cc1 ZINC000063131395 184272398 /nfs/dbraw/zinc/27/23/98/184272398.db2.gz AYDKXTGXEKNAKM-LLVKDONJSA-N 1 0 301.433 1.295 10 0 DDAERO [NH3+]CCNC(=O)[C@@H]1CCCN(c2ncc(Cl)cc2Cl)C1 ZINC000063180747 184276581 /nfs/dbraw/zinc/27/65/81/184276581.db2.gz LRJXWALBRVGOIQ-SECBINFHSA-N 1 0 317.220 1.680 10 0 DDAERO Cc1cc(CN2CC[C@]3(CC[N@@H+]3C[C@@H]3CCCO3)C2)n(C)n1 ZINC000063527352 184284554 /nfs/dbraw/zinc/28/45/54/184284554.db2.gz 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257209980 /nfs/dbraw/zinc/20/99/80/257209980.db2.gz FLZIGGFPJGPBJU-IAGOWNOFSA-N 1 0 317.433 1.775 10 0 DDAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(-n3ccnn3)cc2)[C@@H](C)C1 ZINC000121038996 195285586 /nfs/dbraw/zinc/28/55/86/195285586.db2.gz UOQUXHAKOCYQOZ-BBRMVZONSA-N 1 0 313.405 1.726 10 0 DDAERO C[NH2+]CCCNC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C ZINC000121130513 195297337 /nfs/dbraw/zinc/29/73/37/195297337.db2.gz NJRISYQLOUOERN-AWEZNQCLSA-N 1 0 309.385 1.306 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@]1(O)CCc2ccccc21 ZINC000121645386 195323475 /nfs/dbraw/zinc/32/34/75/195323475.db2.gz LDAQFJAXCVHYHN-KSSFIOAISA-N 1 0 319.449 1.850 10 0 DDAERO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1CCc2ncnn2C1 ZINC000122888202 195516530 /nfs/dbraw/zinc/51/65/30/195516530.db2.gz XWBSLAIFBYTREL-STQMWFEESA-N 1 0 320.418 1.045 10 0 DDAERO CCC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000124537734 195652246 /nfs/dbraw/zinc/65/22/46/195652246.db2.gz QASBXONXTUKYCQ-TZMCWYRMSA-N 1 0 310.419 1.685 10 0 DDAERO C[C@H]1CC[C@H](C[NH3+])CN1c1ccccc1S(=O)(=O)N(C)C ZINC000053704514 134770969 /nfs/dbraw/zinc/77/09/69/134770969.db2.gz WAKRACRUOKPKCL-QWHCGFSZSA-N 1 0 311.451 1.501 10 0 DDAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](CCO)CSC)C12CCOCC2 ZINC000186353915 286396349 /nfs/dbraw/zinc/39/63/49/286396349.db2.gz NYNCJOHOOYUFCP-MELADBBJSA-N 1 0 303.468 1.664 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(=O)[nH]c(C3CC3)c2)C1 ZINC000186075787 407569978 /nfs/dbraw/zinc/56/99/78/407569978.db2.gz IUUFUHAVQJIFIJ-ABAIWWIYSA-N 1 0 303.406 1.711 10 0 DDAERO C[C@H]1C[C@H]1C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114414520 407570066 /nfs/dbraw/zinc/57/00/66/407570066.db2.gz KLGFPQMUQRUTED-DZGCQCFKSA-N 1 0 302.422 1.448 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc3c(c2)C(=O)NC3=O)C1 ZINC000068636019 406654969 /nfs/dbraw/zinc/65/49/69/406654969.db2.gz FESFNFTVMJOUTM-LLVKDONJSA-N 1 0 316.361 1.176 10 0 DDAERO [NH3+]C[C@@H](c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 ZINC000008037371 406777916 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COc1cccc([C@H](CNC(=O)[C@@H]2CC[C@@H](C)O2)[NH+](C)C)c1 ZINC000124581441 407362522 /nfs/dbraw/zinc/36/25/22/407362522.db2.gz WPNGDFOLUSAUIV-KCXAZCMYSA-N 1 0 306.406 1.982 10 0 DDAERO CS[C@H](C)CC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000125631999 407393753 /nfs/dbraw/zinc/39/37/53/407393753.db2.gz BEOCZWUEOQEQJZ-QWHCGFSZSA-N 1 0 302.484 1.679 10 0 DDAERO CC(C)(C[NH2+]Cc1ccnc2ccccc12)NS(C)(=O)=O ZINC000111789058 407416471 /nfs/dbraw/zinc/41/64/71/407416471.db2.gz OUNWADOYOVEAHL-UHFFFAOYSA-N 1 0 307.419 1.652 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)C1 ZINC000112196718 407422510 /nfs/dbraw/zinc/42/25/10/407422510.db2.gz OBMJICUIFLESNN-NHYWBVRUSA-N 1 0 323.343 1.620 10 0 DDAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2cccnc2)CC1 ZINC000112712087 407436970 /nfs/dbraw/zinc/43/69/70/407436970.db2.gz RHOZRVLZXURUIK-ZDUSSCGKSA-N 1 0 306.410 1.638 10 0 DDAERO Cc1cc(=O)n2nc(CN3C[C@@H]4CCC[N@H+]4C[C@@H]3C)sc2n1 ZINC000113271066 407486110 /nfs/dbraw/zinc/48/61/10/407486110.db2.gz YXFNXMHNFBSHHG-RYUDHWBXSA-N 1 0 319.434 1.128 10 0 DDAERO O=C(N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1CO)c1ccncc1 ZINC000257194398 407488216 /nfs/dbraw/zinc/48/82/16/407488216.db2.gz TZJUTAWSTLBNDB-DLBZAZTESA-N 1 0 317.433 1.684 10 0 DDAERO COCCn1cc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cn1 ZINC000113367096 407496712 /nfs/dbraw/zinc/49/67/12/407496712.db2.gz VJCAQDBMMMLVFK-TZMCWYRMSA-N 1 0 307.398 1.230 10 0 DDAERO CCCCOC[C@@H](O)C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000195219500 407442717 /nfs/dbraw/zinc/44/27/17/407442717.db2.gz SCHCBICXUCCLNS-AWEZNQCLSA-N 1 0 303.468 1.762 10 0 DDAERO [NH3+]C1(C(=O)NCCc2ccc(F)cc2Cl)CCOCC1 ZINC000261673135 407574846 /nfs/dbraw/zinc/57/48/46/407574846.db2.gz BZTOLIWSFUDSMK-UHFFFAOYSA-N 1 0 300.761 1.646 10 0 DDAERO CCc1c(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cnn1CC(C)C ZINC000152219126 407587482 /nfs/dbraw/zinc/58/74/82/407587482.db2.gz TUIABVMXIFRANU-AWEZNQCLSA-N 1 0 322.453 1.504 10 0 DDAERO C[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1nc2ccccc2[nH]1 ZINC000170826584 407518744 /nfs/dbraw/zinc/51/87/44/407518744.db2.gz ZLYQTOMMYAFLJW-VXGBXAGGSA-N 1 0 301.394 1.969 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000170861607 407534201 /nfs/dbraw/zinc/53/42/01/407534201.db2.gz NVARVKXWXAVSOK-OAHLLOKOSA-N 1 0 301.390 1.590 10 0 DDAERO COc1ccc2c(c1)ncc(C(=O)N1CC[C@@H]([NH+](C)C)C1)c2O ZINC000170859961 407534397 /nfs/dbraw/zinc/53/43/97/407534397.db2.gz NQMHDLMFSXIYQO-LLVKDONJSA-N 1 0 315.373 1.725 10 0 DDAERO CCC[C@H](C(=O)NCCc1nn(C)c2ccccc12)[NH+](C)C ZINC000186192349 407601107 /nfs/dbraw/zinc/60/11/07/407601107.db2.gz LIHQGODSMURSNH-MRXNPFEDSA-N 1 0 302.422 1.962 10 0 DDAERO COc1cccc(F)c1[C@@H](C)NC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261851895 407641510 /nfs/dbraw/zinc/64/15/10/407641510.db2.gz RPNQORURSZFWRP-BMIGLBTASA-N 1 0 310.369 1.765 10 0 DDAERO CN1CCO[C@H](CNC(=O)CSc2nc3ccccc3o2)C1 ZINC000171288156 407649027 /nfs/dbraw/zinc/64/90/27/407649027.db2.gz FUFASFKJXPLBCN-LLVKDONJSA-N 1 0 321.402 1.367 10 0 DDAERO C[C@H](NC(=O)C1(C[NH3+])CCOCC1)c1nc(C(C)(C)C)no1 ZINC000261896683 407661016 /nfs/dbraw/zinc/66/10/16/407661016.db2.gz HDYCXTVWDZNAMN-JTQLQIEISA-N 1 0 310.398 1.300 10 0 DDAERO CCS[C@@H]1CCC[C@H](NC(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261737219 407595888 /nfs/dbraw/zinc/59/58/88/407595888.db2.gz KFTRFYVQUXQCAT-MJBXVCDLSA-N 1 0 300.468 1.921 10 0 DDAERO Cc1cccc(C)c1OC[C@@H](C)NC(=O)C1([NH3+])CCOCC1 ZINC000261939364 407682699 /nfs/dbraw/zinc/68/26/99/407682699.db2.gz XDOWKYIGLMSPDM-CQSZACIVSA-N 1 0 306.406 1.695 10 0 DDAERO C[C@H]1CN(Cc2ccccc2OCC(=O)NCC2CC2)C[C@H]1[NH3+] ZINC000262002404 407706451 /nfs/dbraw/zinc/70/64/51/407706451.db2.gz LKEHOUKDGMGQJY-XJKSGUPXSA-N 1 0 317.433 1.371 10 0 DDAERO C[C@@H]1CN(S(=O)(=O)c2ccccc2Br)C[C@@H]1[NH3+] ZINC000235369310 407721358 /nfs/dbraw/zinc/72/13/58/407721358.db2.gz ZNSFCHGHOHHSRQ-SCZZXKLOSA-N 1 0 319.224 1.417 10 0 DDAERO Cn1cc([C@@H]2CC[N@H+](CC(=O)N3CCc4ccccc4C3)C2)cn1 ZINC000116321913 407742046 /nfs/dbraw/zinc/74/20/46/407742046.db2.gz MIWOIJNWRCIAJY-QGZVFWFLSA-N 1 0 324.428 1.794 10 0 DDAERO OC[C@H]1C[C@H](O)C[N@@H+]1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000179170345 407743567 /nfs/dbraw/zinc/74/35/67/407743567.db2.gz MMGCFZHIVYLXEW-CVEARBPZSA-N 1 0 323.396 1.929 10 0 DDAERO COC(=O)CCCN1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000116395765 407749744 /nfs/dbraw/zinc/74/97/44/407749744.db2.gz XNVZPTDTJGNWPK-MRXNPFEDSA-N 1 0 306.406 1.291 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000262233126 407773154 /nfs/dbraw/zinc/77/31/54/407773154.db2.gz QRUUMAZFEFNBJZ-OAHLLOKOSA-N 1 0 319.405 1.615 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000262263397 407777774 /nfs/dbraw/zinc/77/77/74/407777774.db2.gz JPODMFDLJDJNQA-LSDHHAIUSA-N 1 0 310.369 1.307 10 0 DDAERO COC[C@@H]([NH3+])C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000262313741 407794014 /nfs/dbraw/zinc/79/40/14/407794014.db2.gz PLIAOXGLVRTMAJ-OAHLLOKOSA-N 1 0 319.405 1.405 10 0 DDAERO Cc1ccc(CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1F ZINC000116928711 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185230880 /nfs/dbraw/zinc/23/08/80/185230880.db2.gz WQMMDJPGCSDBED-UHFFFAOYSA-N 1 0 310.379 1.607 10 0 DDAERO Cc1nnc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)n1CC[NH3+] ZINC000087711530 185231038 /nfs/dbraw/zinc/23/10/38/185231038.db2.gz VRDYLPBNGHPJTF-CMPLNLGQSA-N 1 0 311.455 1.332 10 0 DDAERO CCC[C@@H](COC)Nc1nc(NN)[nH+]cc1Br ZINC000087880795 185234495 /nfs/dbraw/zinc/23/44/95/185234495.db2.gz ZQKABGUAXPTGRH-ZETCQYMHSA-N 1 0 304.192 1.752 10 0 DDAERO CCCCS(=O)(=O)[C@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000081973598 192347607 /nfs/dbraw/zinc/34/76/07/192347607.db2.gz VVQAMMONDLPJEN-STQMWFEESA-N 1 0 305.440 1.475 10 0 DDAERO CCOC(=O)CS(=O)(=O)[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C ZINC000081977169 192347852 /nfs/dbraw/zinc/34/78/52/192347852.db2.gz QYOCLZQPLXIJAI-HIFRSBDPSA-N 1 0 311.403 1.240 10 0 DDAERO COc1ccc(CC[NH2+]CC(C)(C)NS(C)(=O)=O)cc1 ZINC000088102135 185239561 /nfs/dbraw/zinc/23/95/61/185239561.db2.gz BOKYLWRNFVORTG-UHFFFAOYSA-N 1 0 300.424 1.155 10 0 DDAERO Nc1ccc(SC[C@H](O)CN2CC[NH2+]CC2)c(Cl)c1 ZINC000088062002 185238621 /nfs/dbraw/zinc/23/86/21/185238621.db2.gz MCMUKJYAGKFVCU-LLVKDONJSA-N 1 0 301.843 1.280 10 0 DDAERO COc1ccc(CN2CC[N@H+](C)C(C)(C)C2)cc1C(N)=S ZINC000087832662 185232724 /nfs/dbraw/zinc/23/27/24/185232724.db2.gz SCKTXSGGWZKBRW-UHFFFAOYSA-N 1 0 307.463 1.855 10 0 DDAERO COc1ccc(CN(C)[C@@H]2CCC[N@H+](C)C2)cc1C(N)=S ZINC000087832630 185232750 /nfs/dbraw/zinc/23/27/50/185232750.db2.gz SPJDGLDUIXKABT-CYBMUJFWSA-N 1 0 307.463 1.855 10 0 DDAERO Cc1cnc(CNc2nc(NN)[nH+]cc2Br)cn1 ZINC000087869963 185234166 /nfs/dbraw/zinc/23/41/66/185234166.db2.gz JGBAPOTWPYFXJJ-UHFFFAOYSA-N 1 0 310.159 1.235 10 0 DDAERO NNc1cc(NCc2cc(Br)cs2)nc(N)[nH+]1 ZINC000087880220 185234412 /nfs/dbraw/zinc/23/44/12/185234412.db2.gz UHGIEPXMXCPMMP-UHFFFAOYSA-N 1 0 315.200 1.781 10 0 DDAERO COc1ccnc(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000176449509 539229477 /nfs/dbraw/zinc/22/94/77/539229477.db2.gz RHMCGVCLNOVVGV-ZDUSSCGKSA-N 1 0 321.421 1.255 10 0 DDAERO CC[C@H](C[NH3+])S(=O)(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000088471995 185251910 /nfs/dbraw/zinc/25/19/10/185251910.db2.gz LACKPZRLTLTADI-SNVBAGLBSA-N 1 0 318.395 1.191 10 0 DDAERO CC(C)[NH2+]CCCC(=O)Nc1cnc(Br)cn1 ZINC000088446418 185251309 /nfs/dbraw/zinc/25/13/09/185251309.db2.gz GXHYVWQGRNPREA-UHFFFAOYSA-N 1 0 301.188 1.956 10 0 DDAERO CC[NH+](CC)CCC[C@@H](C)NS(=O)(=O)c1ccc(C=O)o1 ZINC000088541040 185255853 /nfs/dbraw/zinc/25/58/53/185255853.db2.gz DWWGVMPJJRKYPC-GFCCVEGCSA-N 1 0 316.423 1.881 10 0 DDAERO CC[C@@H]1CO[C@@H](C)CN1S(=O)(=O)c1ccc(C[NH2+]C)o1 ZINC000088544358 185256630 /nfs/dbraw/zinc/25/66/30/185256630.db2.gz MVOZTINTPKOBPA-WDEREUQCSA-N 1 0 302.396 1.187 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)c2sc3nccnc3c2N)C1 ZINC000088641882 185261039 /nfs/dbraw/zinc/26/10/39/185261039.db2.gz QHIYIFLTVUINHP-VIFPVBQESA-N 1 0 305.407 1.488 10 0 DDAERO C[N@@H+]1CCC[C@H](CNC(=O)c2sc3nccnc3c2N)C1 ZINC000088642400 185261218 /nfs/dbraw/zinc/26/12/18/185261218.db2.gz GXEMTIHUEWZDNW-SECBINFHSA-N 1 0 305.407 1.345 10 0 DDAERO CCOC(=O)[C@H]1C[NH2+]CCN1Cc1c(F)cccc1Cl ZINC000088658011 185261888 /nfs/dbraw/zinc/26/18/88/185261888.db2.gz LPRGGWJPZSKCQI-CYBMUJFWSA-N 1 0 300.761 1.816 10 0 DDAERO CCOC(=O)[C@@H]1C[NH2+]CCN1c1ncc(Cl)cc1Cl ZINC000088673101 185262261 /nfs/dbraw/zinc/26/22/61/185262261.db2.gz CPQHSDCCQXXWGP-JTQLQIEISA-N 1 0 304.177 1.730 10 0 DDAERO CCc1nc(CC)n(-c2nc3sccn3c2C[C@@H](C)[NH3+])n1 ZINC000088746246 185263522 /nfs/dbraw/zinc/26/35/22/185263522.db2.gz QQCHKPPALLPLPM-SECBINFHSA-N 1 0 304.423 1.991 10 0 DDAERO CCOCCC[N@@H+]1CC[C@H](NCc2nnc(C)n2CC)[C@H](C)C1 ZINC000253295747 282214288 /nfs/dbraw/zinc/21/42/88/282214288.db2.gz HEGARLXHEBYOQS-ZBFHGGJFSA-N 1 0 323.485 1.833 10 0 DDAERO C[NH2+][C@@H]1CCC2(C[C@@H]1S(=O)(=O)C1CCCC1)OCCO2 ZINC000081988261 192350407 /nfs/dbraw/zinc/35/04/07/192350407.db2.gz UPJXBWVNCBVUID-OLZOCXBDSA-N 1 0 303.424 1.227 10 0 DDAERO CCCc1ccc([C@H]([NH3+])C[S@](=O)CCS(C)(=O)=O)cc1 ZINC000081992364 192351745 /nfs/dbraw/zinc/35/17/45/192351745.db2.gz SQTDBCDPEPJTJF-KUHUBIRLSA-N 1 0 317.476 1.432 10 0 DDAERO Cc1csc2nc(C)c(C[NH2+][C@@H]3CCC(=O)N(C)C3=O)n12 ZINC000090025489 185278848 /nfs/dbraw/zinc/27/88/48/185278848.db2.gz CMGOXHGFZLNKBC-SNVBAGLBSA-N 1 0 306.391 1.250 10 0 DDAERO C[C@](O)(CO)C[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000090284266 185289245 /nfs/dbraw/zinc/28/92/45/185289245.db2.gz DZRPYUIWNKXLMH-DGCLKSJQSA-N 1 0 316.195 1.606 10 0 DDAERO CCN(CC(=O)Nc1ccc(Br)cn1)C1C[NH2+]C1 ZINC000090291570 185289496 /nfs/dbraw/zinc/28/94/96/185289496.db2.gz METCDAHMNGKTRD-UHFFFAOYSA-N 1 0 313.199 1.076 10 0 DDAERO CCCNS(=O)(=O)c1ccccc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090322836 185291124 /nfs/dbraw/zinc/29/11/24/185291124.db2.gz YWWSIHAOOVMLAT-BETUJISGSA-N 1 0 309.435 1.031 10 0 DDAERO Cc1csc2nc(CN3C[C@@H]4C[NH2+]C[C@@H]4[C@@H]3C)cc(=O)n12 ZINC000090328027 185291241 /nfs/dbraw/zinc/29/12/41/185291241.db2.gz QBSVEVIYAVTYGL-GMXVVIOVSA-N 1 0 304.419 1.104 10 0 DDAERO CC(C)(C)c1nnsc1C(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1(C)C ZINC000090335725 185291561 /nfs/dbraw/zinc/29/15/61/185291561.db2.gz KLJJGBHBHLFGDN-VHSXEESVSA-N 1 0 308.451 1.906 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1c(F)cccc1F ZINC000090337055 185291855 /nfs/dbraw/zinc/29/18/55/185291855.db2.gz YVSVKUVDEUEOFO-NXEZZACHSA-N 1 0 316.373 1.583 10 0 DDAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000090489048 185298768 /nfs/dbraw/zinc/29/87/68/185298768.db2.gz BSDMBNONRABPFL-MGPQQGTHSA-N 1 0 306.431 1.964 10 0 DDAERO [NH3+][C@@H]1COC[C@@H]1C(=O)NCCc1ccc(Cl)cc1Cl ZINC000090378999 185293593 /nfs/dbraw/zinc/29/35/93/185293593.db2.gz YUWMMWNBRHEBSA-CMPLNLGQSA-N 1 0 303.189 1.626 10 0 DDAERO C[C@H](NC(=O)[C@H]1COC[C@@H]1[NH3+])c1cccc(Br)c1 ZINC000090379714 185293743 /nfs/dbraw/zinc/29/37/43/185293743.db2.gz KIOQLXSFWSWGJA-UWJYBYFXSA-N 1 0 313.195 1.600 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cc(Br)ccc1F ZINC000090432432 185296011 /nfs/dbraw/zinc/29/60/11/185296011.db2.gz ZWFWKSRVNDMAQE-LDYMZIIASA-N 1 0 317.158 1.761 10 0 DDAERO COc1cc(Cl)c(NC(=O)[C@]2(C)COC[C@@H]2[NH3+])cc1OC ZINC000090587278 185305211 /nfs/dbraw/zinc/30/52/11/185305211.db2.gz OWIBAMXWSPVMER-GXTWGEPZSA-N 1 0 314.769 1.660 10 0 DDAERO CN(Cc1nc2ccccc2s1)C(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090590901 185305535 /nfs/dbraw/zinc/30/55/35/185305535.db2.gz PISAWICCRIRUNX-IUODEOHRSA-N 1 0 305.403 1.619 10 0 DDAERO CNC(=O)c1cc(NC(=O)[C@@]2(C)COC[C@@H]2[NH3+])ccc1Cl ZINC000090590014 185305661 /nfs/dbraw/zinc/30/56/61/185305661.db2.gz BNEGFWKGENOFEB-FZMZJTMJSA-N 1 0 311.769 1.002 10 0 DDAERO C[C@@]1(CN2CCN(c3ccccc3Cl)CC2)COC[C@@H]1[NH3+] ZINC000090606500 185306389 /nfs/dbraw/zinc/30/63/89/185306389.db2.gz YIGYIJOAGXJNKY-JKSUJKDBSA-N 1 0 309.841 1.826 10 0 DDAERO CC[NH2+]CCCc1c(C)nn([C@]2(C)CCS(=O)(=O)C2)c1C ZINC000092321814 185312375 /nfs/dbraw/zinc/31/23/75/185312375.db2.gz MIMHYKNCBPCORM-OAHLLOKOSA-N 1 0 313.467 1.576 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc(N)ccc1C ZINC000092622671 185330066 /nfs/dbraw/zinc/33/00/66/185330066.db2.gz YTWRUHGUNQRWNS-AWEZNQCLSA-N 1 0 311.451 1.682 10 0 DDAERO Cc1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc(N)c1C ZINC000092622523 185330131 /nfs/dbraw/zinc/33/01/31/185330131.db2.gz JRMXFTWQEBDFAC-CYBMUJFWSA-N 1 0 311.451 1.600 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(C(N)=S)cc1 ZINC000092631800 185330638 /nfs/dbraw/zinc/33/06/38/185330638.db2.gz QSNCVHRHBKQBDS-AWEZNQCLSA-N 1 0 305.447 1.877 10 0 DDAERO CCC(CC)[C@H](C(=O)N[C@H]1CCC[NH2+][C@H]1C)N1CCOCC1 ZINC000248854008 282257502 /nfs/dbraw/zinc/25/75/02/282257502.db2.gz KLOZEWNGGMBKCN-CWRNSKLLSA-N 1 0 311.470 1.380 10 0 DDAERO CCn1cc(S(=O)(=O)NC2C(C)(C)C2(C)C)cc1C[NH2+]C ZINC000092833240 185344869 /nfs/dbraw/zinc/34/48/69/185344869.db2.gz LVNXBZOYNUYEGD-UHFFFAOYSA-N 1 0 313.467 1.940 10 0 DDAERO COc1ccc([C@H](C)[NH2+]CC(C)(C)NS(C)(=O)=O)cc1F ZINC000109040781 185547724 /nfs/dbraw/zinc/54/77/24/185547724.db2.gz PCZQSQBBWIQRFA-JTQLQIEISA-N 1 0 318.414 1.813 10 0 DDAERO CCNS(=O)(=O)c1ccc(N2CCCC[C@H]2CC[NH3+])cc1 ZINC000111375016 185590049 /nfs/dbraw/zinc/59/00/49/185590049.db2.gz PGGAPDPWSDHGKN-ZDUSSCGKSA-N 1 0 311.451 1.693 10 0 DDAERO CC[C@H]([NH3+])Cc1c(Sc2n[nH]c(=O)n2C)nc2sccn21 ZINC000111586280 185614868 /nfs/dbraw/zinc/61/48/68/185614868.db2.gz ATVBFXCNUPDMER-ZETCQYMHSA-N 1 0 324.435 1.249 10 0 DDAERO C[NH2+][C@H](C)C1CCN(S(=O)(=O)CCc2ccccn2)CC1 ZINC000111714427 185629178 /nfs/dbraw/zinc/62/91/78/185629178.db2.gz RPYJTMPRQGSKBX-CYBMUJFWSA-N 1 0 311.451 1.274 10 0 DDAERO CCC[C@H](C(=O)N1CCC[C@H](CNC(=O)C(C)C)C1)[NH+](C)C ZINC000161925923 290790749 /nfs/dbraw/zinc/79/07/49/290790749.db2.gz OFUVQULVRBPVHI-HUUCEWRRSA-N 1 0 311.470 1.728 10 0 DDAERO CC(C)(C)OC(=O)NCCN1CC[NH2+][C@H](c2ccc(N)cc2)C1 ZINC000616633946 362764409 /nfs/dbraw/zinc/76/44/09/362764409.db2.gz HUAOLQJHQHVUTP-HNNXBMFYSA-N 1 0 320.437 1.740 10 0 DDAERO C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)S(=O)(=O)C1CCCCC1 ZINC000261738497 290804269 /nfs/dbraw/zinc/80/42/69/290804269.db2.gz MFYJWNSIOUJUHY-JSGCOSHPSA-N 1 0 318.483 1.483 10 0 DDAERO COCCOC[C@H]([NH3+])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000725255152 539569383 /nfs/dbraw/zinc/56/93/83/539569383.db2.gz ARQXMVYFPHKOHI-ZDUSSCGKSA-N 1 0 302.415 1.624 10 0 DDAERO Cc1ccc(N(CCC[NH3+])C(=O)C(C)(C)S(C)(=O)=O)cc1 ZINC000070127144 190859511 /nfs/dbraw/zinc/85/95/11/190859511.db2.gz PWOBLJIJCPNLHP-UHFFFAOYSA-N 1 0 312.435 1.500 10 0 DDAERO CC[C@H](C[NH3+])NS(=O)(=O)c1cccc(Br)c1 ZINC000083566333 192373700 /nfs/dbraw/zinc/37/37/00/192373700.db2.gz RONWQAPSGWVCDD-SECBINFHSA-N 1 0 307.213 1.465 10 0 DDAERO COc1cc(C[C@H](C)[NH3+])cc(Cl)c1O[C@H]1CCN(C)C1=O ZINC000071184729 190938308 /nfs/dbraw/zinc/93/83/08/190938308.db2.gz WWTRWNSNAPVRAV-CABZTGNLSA-N 1 0 312.797 1.848 10 0 DDAERO Clc1cc(C[NH2+]CCCc2nnc[nH]2)cc2c1OCCO2 ZINC000080567758 192167709 /nfs/dbraw/zinc/16/77/09/192167709.db2.gz AAAQQRZQJRTXFZ-UHFFFAOYSA-N 1 0 308.769 1.952 10 0 DDAERO CC(C)C[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCS(C)(=O)=O ZINC000071347707 190961574 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C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000390178434 307293635 /nfs/dbraw/zinc/29/36/35/307293635.db2.gz IZTSQRXJKSHYHF-YOEHRIQHSA-N 1 0 312.417 1.936 10 0 DDAERO COCC[N@H+](C)C[C@@H](O)CN[C@H](C)c1ccc(Cl)s1 ZINC000382271480 483961550 /nfs/dbraw/zinc/96/15/50/483961550.db2.gz BRTSOUZAVZMEHD-MNOVXSKESA-N 1 0 306.859 1.991 10 0 DDAERO COc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000089091713 484008192 /nfs/dbraw/zinc/00/81/92/484008192.db2.gz HPUHNCIUBZBRKG-GXSJLCMTSA-N 1 0 318.826 1.754 10 0 DDAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCN(Cc2ccsc2)CC1 ZINC000089455600 484010667 /nfs/dbraw/zinc/01/06/67/484010667.db2.gz JMOJQYLXUFHHPM-HUUCEWRRSA-N 1 0 307.463 1.767 10 0 DDAERO CCCCN(C(=O)C[C@H]([NH3+])C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000136382387 484035797 /nfs/dbraw/zinc/03/57/97/484035797.db2.gz IHMYVQIMUDNLAH-STQMWFEESA-N 1 0 304.456 1.176 10 0 DDAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000261757078 484255948 /nfs/dbraw/zinc/25/59/48/484255948.db2.gz NCWDVFRRNVHESO-HZPDHXFCSA-N 1 0 321.465 1.613 10 0 DDAERO CCCOc1ccc(CNC[C@@H]2C[NH2+]C[C@@H]2O)c(OCCC)c1 ZINC000262073000 484261341 /nfs/dbraw/zinc/26/13/41/484261341.db2.gz CTKOYQREOFCOQP-WBVHZDCISA-N 1 0 322.449 1.934 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1csc(-c2ccccc2)n1 ZINC000262086067 484262248 /nfs/dbraw/zinc/26/22/48/484262248.db2.gz CRGBZIBCBJSESN-DGCLKSJQSA-N 1 0 303.387 1.120 10 0 DDAERO COc1ccc(C2(C(=O)NC[C@@H]3C[NH2+]C[C@@H]3O)CCCC2)cc1 ZINC000262092700 484262464 /nfs/dbraw/zinc/26/24/64/484262464.db2.gz DDGNVXCLQDHGGB-BBRMVZONSA-N 1 0 318.417 1.204 10 0 DDAERO O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262096314 484262527 /nfs/dbraw/zinc/26/25/27/484262527.db2.gz DKPKWFADQPRKGL-QZTJIDSGSA-N 1 0 310.397 1.593 10 0 DDAERO Cc1c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)oc2c1c(C)ccc2C ZINC000262206076 484264887 /nfs/dbraw/zinc/26/48/87/484264887.db2.gz INWUCDWSRAMWOD-CHWSQXEVSA-N 1 0 302.374 1.668 10 0 DDAERO Cc1nc(NCc2nc(C[NH3+])cc(=O)[nH]2)ccc1Br ZINC000663277055 484780714 /nfs/dbraw/zinc/78/07/14/484780714.db2.gz IGRKYLGHAULLJF-UHFFFAOYSA-N 1 0 324.182 1.719 10 0 DDAERO CCCn1cc(C[NH2+][C@H]2CCCN(c3ncc[nH]c3=O)C2)cn1 ZINC000328628660 528846790 /nfs/dbraw/zinc/84/67/90/528846790.db2.gz HLLWGKSVWQZZMH-AWEZNQCLSA-N 1 0 316.409 1.547 10 0 DDAERO C[NH2+][C@H](C)c1cc(F)ccc1N1CCN(S(C)(=O)=O)CC1 ZINC000062084914 536406605 /nfs/dbraw/zinc/40/66/05/536406605.db2.gz BJQJIQWNKQWRKL-LLVKDONJSA-N 1 0 315.414 1.188 10 0 DDAERO Cc1ccc2c(CC(=O)N3CCO[C@@H](C[NH+](C)C)C3)c[nH]c2c1 ZINC000116783555 696668531 /nfs/dbraw/zinc/66/85/31/696668531.db2.gz QEZIJYAIQWXEGC-HNNXBMFYSA-N 1 0 315.417 1.808 10 0 DDAERO CC(C)COC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000125314294 696752142 /nfs/dbraw/zinc/75/21/42/696752142.db2.gz KUKWSQOYSVVBGV-HOCLYGCPSA-N 1 0 320.433 1.863 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000172539034 697368867 /nfs/dbraw/zinc/36/88/67/697368867.db2.gz LEJMADXLIYPXSH-LBPRGKRZSA-N 1 0 313.442 1.842 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)NCC[S@@](=O)C(C)(C)C)C1 ZINC000172609959 697369652 /nfs/dbraw/zinc/36/96/52/697369652.db2.gz NGUYKKAFWYUCOV-FKIZINRSSA-N 1 0 303.472 1.317 10 0 DDAERO COc1ccc([C@H](C)[NH2+]CC(=O)N2CCO[C@@H](C)C2)cc1OC ZINC000180884043 697453115 /nfs/dbraw/zinc/45/31/15/697453115.db2.gz KVAFNVJOPPXKNW-STQMWFEESA-N 1 0 322.405 1.602 10 0 DDAERO COC(C[NH+]1CCC(N(C)CC(=O)OC(C)(C)C)CC1)OC ZINC000191981780 697617589 /nfs/dbraw/zinc/61/75/89/697617589.db2.gz UMELFZXQWXZFMS-UHFFFAOYSA-N 1 0 316.442 1.343 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccn(CC(F)F)n1 ZINC000194252786 697701301 /nfs/dbraw/zinc/70/13/01/697701301.db2.gz USOCODGQGLIATB-NSHDSACASA-N 1 0 300.353 1.705 10 0 DDAERO O=C(N[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000222555841 697757430 /nfs/dbraw/zinc/75/74/30/697757430.db2.gz WYRXLWGVRXMSNV-GOEBONIOSA-N 1 0 313.401 1.250 10 0 DDAERO Cc1noc(C)c1CCC(=O)N(C(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000223169357 697759935 /nfs/dbraw/zinc/75/99/35/697759935.db2.gz SVIBMVBCDYIWHC-ZDUSSCGKSA-N 1 0 319.405 1.741 10 0 DDAERO O[C@@H](C[NH2+]C[C@@H]1CSCCS1)COCc1ccco1 ZINC000229603663 697778378 /nfs/dbraw/zinc/77/83/78/697778378.db2.gz FQJVSZWSISFQML-WCQYABFASA-N 1 0 303.449 1.595 10 0 DDAERO C[C@@H]1CCC[C@H](C)[C@@]12NC(=O)N(CN1CC[C@H]([NH+](C)C)C1)C2=O ZINC000246038320 698342179 /nfs/dbraw/zinc/34/21/79/698342179.db2.gz WQLGTRFMAHNYIC-QDEZUTFSSA-N 1 0 322.453 1.327 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cn1nc(-c2cccs2)oc1=O ZINC000247039947 698360224 /nfs/dbraw/zinc/36/02/24/698360224.db2.gz KRKMHWWBHBPLLD-RYUDHWBXSA-N 1 0 320.418 1.691 10 0 DDAERO CCCCOC(=O)CCN1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000247175085 698362863 /nfs/dbraw/zinc/36/28/63/698362863.db2.gz NCMCSWVQYQOTFB-GJZGRUSLSA-N 1 0 300.443 1.497 10 0 DDAERO CSC[C@H](O)C[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000248949219 698384412 /nfs/dbraw/zinc/38/44/12/698384412.db2.gz AXSKXINIYXTUSJ-XQQFMLRXSA-N 1 0 318.483 1.993 10 0 DDAERO C[NH2+][C@@H](C)CNC(=O)c1ccc(OC)c(Br)c1 ZINC000261557770 698427826 /nfs/dbraw/zinc/42/78/26/698427826.db2.gz SAGCMKXLNOIXLI-QMMMGPOBSA-N 1 0 301.184 1.795 10 0 DDAERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1ccc(N)cn1 ZINC000261560119 698427920 /nfs/dbraw/zinc/42/79/20/698427920.db2.gz ZQTRPPVFKJINNA-CQSZACIVSA-N 1 0 312.417 1.843 10 0 DDAERO C[NH2+][C@H](C)CNC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000261727019 698434647 /nfs/dbraw/zinc/43/46/47/698434647.db2.gz LEXUVWGNQCSUQU-QLFDAEIZSA-N 1 0 321.465 1.433 10 0 DDAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000261725386 698434987 /nfs/dbraw/zinc/43/49/87/698434987.db2.gz LBJKVQHSIHIESX-VIFPVBQESA-N 1 0 310.341 1.678 10 0 DDAERO Cc1ccc2oc(N3CCN(C(=O)C[C@@H](C)[NH3+])CC3)nc2c1 ZINC000261760042 698436576 /nfs/dbraw/zinc/43/65/76/698436576.db2.gz HYYZZCGROUUTPY-GFCCVEGCSA-N 1 0 302.378 1.522 10 0 DDAERO COC[C@H]([NH3+])C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000262220324 698459767 /nfs/dbraw/zinc/45/97/67/698459767.db2.gz FQXLRNCNFUPSIR-KCJUWKMLSA-N 1 0 306.284 1.736 10 0 DDAERO Cc1ccncc1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702760298 699231968 /nfs/dbraw/zinc/23/19/68/699231968.db2.gz CESOUJRCMPOIHJ-HUUCEWRRSA-N 1 0 321.421 1.707 10 0 DDAERO C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccccn1 ZINC000702760973 699232309 /nfs/dbraw/zinc/23/23/09/699232309.db2.gz FXDVZPJRYXWPPO-GZBFAFLISA-N 1 0 321.421 1.960 10 0 DDAERO C=Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cn1 ZINC000702765056 699232344 /nfs/dbraw/zinc/23/23/44/699232344.db2.gz QVAWXRZICILNLL-ZIAGYGMSSA-N 1 0 322.409 1.301 10 0 DDAERO COC[C@H](C)C[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702833747 699233446 /nfs/dbraw/zinc/23/34/46/699233446.db2.gz ADIFBAFZTDXTNB-AGIUHOORSA-N 1 0 302.415 1.086 10 0 DDAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000702834764 699233523 /nfs/dbraw/zinc/23/35/23/699233523.db2.gz CMVVZURLRGNXLS-AGIUHOORSA-N 1 0 316.467 1.699 10 0 DDAERO C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1cnccn1 ZINC000705769769 699242373 /nfs/dbraw/zinc/24/23/73/699242373.db2.gz XGJYMXKANPZGHN-SGMGOOAPSA-N 1 0 322.409 1.355 10 0 DDAERO C[C@H]1CN(c2ccc(S(=O)(=O)C(F)F)cc2)C[C@@H]1C[NH3+] ZINC000708829282 699250997 /nfs/dbraw/zinc/25/09/97/699250997.db2.gz BGICQDMWNJJDQS-UWVGGRQHSA-N 1 0 304.362 1.714 10 0 DDAERO CO[C@@H]1CN(Cc2ncccc2Br)[C@@](C)(C[NH3+])C1 ZINC000708920801 699251389 /nfs/dbraw/zinc/25/13/89/699251389.db2.gz SCJOEBZGUJQKHX-GXFFZTMASA-N 1 0 314.227 1.782 10 0 DDAERO C[C@@H](C[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)S(C)(=O)=O ZINC000711398724 699257598 /nfs/dbraw/zinc/25/75/98/699257598.db2.gz AWMUHZVLXHAWFO-UNXYVOJBSA-N 1 0 320.455 1.312 10 0 DDAERO Cn1nccc1CC[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711460515 699258322 /nfs/dbraw/zinc/25/83/22/699258322.db2.gz YQTMXDLYZYSCQV-UHFFFAOYSA-N 1 0 308.426 1.856 10 0 DDAERO C[C@@H]1OCC[C@@]1(O)C[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711489453 699258642 /nfs/dbraw/zinc/25/86/42/699258642.db2.gz FWWIEWWTZYXLNI-PIISCBOPSA-N 1 0 314.426 1.419 10 0 DDAERO Cn1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)c(Br)n1 ZINC000713883216 699268141 /nfs/dbraw/zinc/26/81/41/699268141.db2.gz ZRQWYGJBQKIIPT-LBPRGKRZSA-N 1 0 313.243 1.853 10 0 DDAERO COc1ccc(Br)c(C[NH2+]C2CC(C(N)=O)C2)c1 ZINC000716753521 699284627 /nfs/dbraw/zinc/28/46/27/699284627.db2.gz AHYZGMVEZXBLBR-UHFFFAOYSA-N 1 0 313.195 1.811 10 0 DDAERO [NH3+][C@@H]1CN(c2ncc(Br)cn2)C[C@H]1C(F)(F)F ZINC000720910207 699309728 /nfs/dbraw/zinc/30/97/28/699309728.db2.gz KAETWEVWRUFLCO-RNFRBKRXSA-N 1 0 311.105 1.565 10 0 DDAERO C[C@H](C[NH2+]Cc1cnc2n1CCOC2)N(C)C(=O)OC(C)(C)C ZINC000722823380 699319961 /nfs/dbraw/zinc/31/99/61/699319961.db2.gz BYAYIPNEBKDUBO-GFCCVEGCSA-N 1 0 324.425 1.758 10 0 DDAERO CC1CC(n2nnc3c2CN(C[C@@H](O)c2cccnc2)CC3)C1 ZINC000879330515 706651639 /nfs/dbraw/zinc/65/16/39/706651639.db2.gz FNYSKGUQFGOGCH-MKTAYPAQSA-N 1 0 313.405 1.736 10 0 DDAERO C[C@H](C(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1)c1cccc(O)c1 ZINC000823361261 705220644 /nfs/dbraw/zinc/22/06/44/705220644.db2.gz 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CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NS(=O)(=O)c1ccc(C)cc1Cl ZINC000090313011 185290611 /nfs/dbraw/zinc/29/06/11/185290611.db2.gz KPACDRTXHXYANZ-WZRBSPASSA-N 1 0 318.826 1.431 10 0 DDAERO Cc1cc(Cl)ccc1S(=O)(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090321876 185290947 /nfs/dbraw/zinc/29/09/47/185290947.db2.gz WNTQIEVSPXUSGH-GHMZBOCLSA-N 1 0 300.811 1.488 10 0 DDAERO CC(C)NS(=O)(=O)c1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000090322671 185291035 /nfs/dbraw/zinc/29/10/35/185291035.db2.gz XPZVNAQEYWLCJV-BETUJISGSA-N 1 0 309.435 1.029 10 0 DDAERO CCCN(CCC)S(=O)(=O)N1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1CC ZINC000090331937 185291490 /nfs/dbraw/zinc/29/14/90/185291490.db2.gz PKSBELVZABHREF-IHRRRGAJSA-N 1 0 303.472 1.283 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1CC(=O)N(C)Cc1ccsc1 ZINC000090332429 185291593 /nfs/dbraw/zinc/29/15/93/185291593.db2.gz JKGCRRJOQQPLRO-RBSFLKMASA-N 1 0 307.463 1.636 10 0 DDAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1ccc(C)c(F)c1 ZINC000090331749 185291653 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CCC[NH2+][C@@H]1COC[C@H]1C(=O)N(CCOC)C(CC)CC ZINC000090541964 185301862 /nfs/dbraw/zinc/30/18/62/185301862.db2.gz UJVXFBMUCMPKPG-HUUCEWRRSA-N 1 0 300.443 1.665 10 0 DDAERO COC(=O)[C@H]1c2ccsc2CCN1C(=O)[C@H]1CCC[N@H+](C)C1 ZINC000090683394 185309330 /nfs/dbraw/zinc/30/93/30/185309330.db2.gz PYCGPFVZWPNKIJ-SMDDNHRTSA-N 1 0 322.430 1.689 10 0 DDAERO Cc1noc(C)c1CNS(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000092344214 185313358 /nfs/dbraw/zinc/31/33/58/185313358.db2.gz MYZNVKFCTHTNGS-UHFFFAOYSA-N 1 0 313.354 1.368 10 0 DDAERO C[NH2+][C@H]1c2cc(OC)ccc2CC[C@@H]1S(=O)(=O)CCOC ZINC000092388666 185315440 /nfs/dbraw/zinc/31/54/40/185315440.db2.gz JRCXZBAELKCJKX-GJZGRUSLSA-N 1 0 313.419 1.332 10 0 DDAERO Cc1noc(C)c1[C@H](C)NS(=O)(=O)CCC[NH2+]C(C)C ZINC000092339910 185312911 /nfs/dbraw/zinc/31/29/11/185312911.db2.gz UVIXZQLAUCFNFK-NSHDSACASA-N 1 0 303.428 1.660 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C\c2ccnc(Cl)c2)C[C@H]1C ZINC000255217355 282241303 /nfs/dbraw/zinc/24/13/03/282241303.db2.gz 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10 0 DDAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)Cc1ccccc1O ZINC000262449944 203296824 /nfs/dbraw/zinc/29/68/24/203296824.db2.gz ZLVQYYMMXHDNIK-UHFFFAOYSA-N 1 0 315.377 1.169 10 0 DDAERO COCCOCC[NH2+][C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000093208081 193216538 /nfs/dbraw/zinc/21/65/38/193216538.db2.gz HHEXLWSCMNXZCC-CHWSQXEVSA-N 1 0 302.415 1.685 10 0 DDAERO [NH3+][C@H]1CCC[C@H](Oc2ccccc2S(=O)(=O)NC2CC2)C1 ZINC000093219878 193218484 /nfs/dbraw/zinc/21/84/84/193218484.db2.gz HWJJWIXCYCHWSM-AAEUAGOBSA-N 1 0 310.419 1.776 10 0 DDAERO C[NH2+]CCC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000262601740 203345807 /nfs/dbraw/zinc/34/58/07/203345807.db2.gz XTVYYMUQESZBOF-SECBINFHSA-N 1 0 302.371 1.016 10 0 DDAERO CC[NH2+]CCn1cc(S(=O)(=O)N(CC)C[C@@H](C)CC)cn1 ZINC000093265881 193222984 /nfs/dbraw/zinc/22/29/84/193222984.db2.gz BHYFLBXQXFBKKC-ZDUSSCGKSA-N 1 0 316.471 1.549 10 0 DDAERO C[C@@H](Cc1cccs1)N(C)S(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000093292126 193225490 /nfs/dbraw/zinc/22/54/90/193225490.db2.gz RWRANCHUXBJFNK-QWHCGFSZSA-N 1 0 316.492 1.940 10 0 DDAERO CC(C)(CN1CCC[NH2+][C@@H](c2ccccc2)C1)S(C)(=O)=O ZINC000093525852 193264081 /nfs/dbraw/zinc/26/40/81/193264081.db2.gz YQTICIJLRJGHJZ-OAHLLOKOSA-N 1 0 310.463 1.846 10 0 DDAERO CC(C)(C)[C@H](CC[NH3+])CCC(=O)NCC(C)(C)S(C)(=O)=O ZINC000093525908 193264314 /nfs/dbraw/zinc/26/43/14/193264314.db2.gz FPSAYYXYWIACGE-LBPRGKRZSA-N 1 0 320.499 1.717 10 0 DDAERO CS(=O)(=O)N1CCC[C@@H](C[NH2+]CCc2cccc(F)c2)C1 ZINC000093696356 193292258 /nfs/dbraw/zinc/29/22/58/193292258.db2.gz LQVXAWFGLMJILN-AWEZNQCLSA-N 1 0 314.426 1.629 10 0 DDAERO CC[NH+](CC)C(C)(C)[C@@H](O)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093699732 193293189 /nfs/dbraw/zinc/29/31/89/193293189.db2.gz DGKJVAXAEJKVCT-KGLIPLIRSA-N 1 0 320.499 1.529 10 0 DDAERO COCC[NH2+]C[C@H](C)CC[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702328 193295350 /nfs/dbraw/zinc/29/53/50/193295350.db2.gz KRFMZMMUSOQALS-KGLIPLIRSA-N 1 0 306.472 1.310 10 0 DDAERO CC(C)(C)[NH2+]CC[C@@](C)(O)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702862 193295598 /nfs/dbraw/zinc/29/55/98/193295598.db2.gz QNHBIZKPFVFGAM-DZGCQCFKSA-N 1 0 320.499 1.577 10 0 DDAERO Cc1cc(N)cc(C)c1S(=O)(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000093648781 193284282 /nfs/dbraw/zinc/28/42/82/193284282.db2.gz YLRGHIMBHKLOSP-ZDUSSCGKSA-N 1 0 311.451 1.458 10 0 DDAERO Cc1ccccc1N(CCC[NH3+])S(=O)(=O)CCOC(C)C ZINC000093664684 193286756 /nfs/dbraw/zinc/28/67/56/193286756.db2.gz IIFXJZHXSZFWBP-UHFFFAOYSA-N 1 0 314.451 1.905 10 0 DDAERO CC(C)C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)CCOC(C)C ZINC000093667761 193287047 /nfs/dbraw/zinc/28/70/47/193287047.db2.gz NAWGBDGLYAUVEX-HNNXBMFYSA-N 1 0 320.499 1.841 10 0 DDAERO CC(C)C[NH2+]CC1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000093667717 193287391 /nfs/dbraw/zinc/28/73/91/193287391.db2.gz MWLBWYBPNOQUSN-UHFFFAOYSA-N 1 0 320.499 1.699 10 0 DDAERO C[C@H]([NH3+])c1nc(-c2nc([C@@H]3CN(C)CCN3C)no2)cs1 ZINC000093892790 193323850 /nfs/dbraw/zinc/32/38/50/193323850.db2.gz PAWGHKHUTOLLOY-WPRPVWTQSA-N 1 0 308.411 1.131 10 0 DDAERO CCC[NH2+][C@H]1[C@@H](S(=O)(=O)CC(=O)OC)CCCC1(C)C ZINC000094281762 193356381 /nfs/dbraw/zinc/35/63/81/193356381.db2.gz TXAXZZMCHXDHPX-AAEUAGOBSA-N 1 0 305.440 1.521 10 0 DDAERO COc1ccccc1[C@H]([C@@H](C)[NH3+])N(C)CCS(C)(=O)=O ZINC000094297256 193356785 /nfs/dbraw/zinc/35/67/85/193356785.db2.gz SFWGTVZDFPOJPQ-RISCZKNCSA-N 1 0 300.424 1.060 10 0 DDAERO CC[NH2+][C@H]1CCC(C)(C)C[C@@H]1CN(C)CCS(C)(=O)=O ZINC000094300307 193357393 /nfs/dbraw/zinc/35/73/93/193357393.db2.gz RJWRJAQDEXVQRI-KGLIPLIRSA-N 1 0 304.500 1.767 10 0 DDAERO CCC[NH2+][C@@H]1CCCCC[C@H]1CN(C)CCS(C)(=O)=O ZINC000094300375 193357525 /nfs/dbraw/zinc/35/75/25/193357525.db2.gz CRWUSZSKBFOAMQ-LSDHHAIUSA-N 1 0 304.500 1.911 10 0 DDAERO Cc1oc(CN(C)CCS(C)(=O)=O)cc1C[NH2+]C(C)C ZINC000094300832 193358523 /nfs/dbraw/zinc/35/85/23/193358523.db2.gz FFZMDTYSWFNYMK-UHFFFAOYSA-N 1 0 302.440 1.562 10 0 DDAERO Cc1oc(C[NH2+]C2CC2)cc1CN(C)CCS(C)(=O)=O ZINC000094300947 193358835 /nfs/dbraw/zinc/35/88/35/193358835.db2.gz XZEDLNXIYABRIS-UHFFFAOYSA-N 1 0 300.424 1.316 10 0 DDAERO Cc1c(F)cc(N)cc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000094360935 193365623 /nfs/dbraw/zinc/36/56/23/193365623.db2.gz WBSPAMZHDZXYER-LBPRGKRZSA-N 1 0 315.414 1.431 10 0 DDAERO NC(=O)c1ccc(C(F)(F)F)nc1NCC1CC[NH2+]CC1 ZINC000094337349 193360947 /nfs/dbraw/zinc/36/09/47/193360947.db2.gz KTXXNSYNGQOXOO-UHFFFAOYSA-N 1 0 302.300 1.611 10 0 DDAERO CCC[C@@H](C(=O)N[C@@H]1COc2c(cccc2OC)C1)[NH+](C)C ZINC000094106081 193345596 /nfs/dbraw/zinc/34/55/96/193345596.db2.gz YTUKVYIMKQDNJD-KBPBESRZSA-N 1 0 306.406 1.845 10 0 DDAERO C[C@H]([NH3+])Cc1ccc(O[C@H]2CCC[C@H](S(C)(=O)=O)C2)cn1 ZINC000094643257 193388549 /nfs/dbraw/zinc/38/85/49/193388549.db2.gz DLTWEVJYIZDTJM-WHOFXGATSA-N 1 0 312.435 1.706 10 0 DDAERO [NH3+]CC(=O)NCC(=O)Nc1ccc(Cl)c(Br)c1 ZINC000094670431 193390563 /nfs/dbraw/zinc/39/05/63/193390563.db2.gz UZMKSGAQZASOIZ-UHFFFAOYSA-N 1 0 320.574 1.116 10 0 DDAERO CC[NH+](CC)CCSc1cc(N)cc(S(N)(=O)=O)c1C ZINC000094361252 193366152 /nfs/dbraw/zinc/36/61/52/193366152.db2.gz AFMNPOHMHZZPFC-UHFFFAOYSA-N 1 0 317.480 1.659 10 0 DDAERO O=S1(=O)C=C[C@H]([NH2+][C@@H]2CCOC3(CCSCC3)C2)C1 ZINC000094374510 193366503 /nfs/dbraw/zinc/36/65/03/193366503.db2.gz SKPRPSRWJVHFJJ-NEPJUHHUSA-N 1 0 303.449 1.332 10 0 DDAERO C[C@@H]1SCCC[C@@]1(C[NH3+])N1CCN(c2nccs2)CC1 ZINC000094478719 193372875 /nfs/dbraw/zinc/37/28/75/193372875.db2.gz ZRSYPMXXJOGEIU-JSGCOSHPSA-N 1 0 312.508 1.878 10 0 DDAERO [NH3+][C@H](Cc1c(Cl)cccc1Cl)[C@@H]1CN2CCN1CC2 ZINC000094508201 193375073 /nfs/dbraw/zinc/37/50/73/193375073.db2.gz MNZCYJVBZMLZFO-KGLIPLIRSA-N 1 0 300.233 1.863 10 0 DDAERO [NH3+][C@H](Cc1ccccc1Br)[C@@H]1CN2CCN1CC2 ZINC000094508561 193375159 /nfs/dbraw/zinc/37/51/59/193375159.db2.gz LLGFBFUXQALISE-KGLIPLIRSA-N 1 0 310.239 1.319 10 0 DDAERO CC[NH2+][C@H](c1ccc(Cl)c(OC)c1)[C@H]1CN2CCN1CC2 ZINC000094510171 193376021 /nfs/dbraw/zinc/37/60/21/193376021.db2.gz OXXYCAWOMYZTQU-GDBMZVCRSA-N 1 0 309.841 1.999 10 0 DDAERO COc1cc(NC(=O)[C@H]2CC[C@H](C[NH3+])O2)c(OC)cc1Cl ZINC000094563017 193380033 /nfs/dbraw/zinc/38/00/33/193380033.db2.gz WGLLKHCARWLUGQ-LDYMZIIASA-N 1 0 314.769 1.802 10 0 DDAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2ccc(Br)cn2)O1 ZINC000094564907 193381051 /nfs/dbraw/zinc/38/10/51/193381051.db2.gz ZLMDNBIFRHZHBM-RKDXNWHRSA-N 1 0 300.156 1.289 10 0 DDAERO CCN(C)C(=O)[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000191246110 284317893 /nfs/dbraw/zinc/31/78/93/284317893.db2.gz PHCINONSKWSIMT-UONOGXRCSA-N 1 0 312.458 1.273 10 0 DDAERO CN(CC[C@@H]1CCCC[NH2+]1)S(=O)(=O)c1ccccc1F ZINC000019843994 182156349 /nfs/dbraw/zinc/15/63/49/182156349.db2.gz JVHMPDJVEGGJPT-LBPRGKRZSA-N 1 0 300.399 1.978 10 0 DDAERO CC(C)[NH+](CCNC1=NS(=O)(=O)c2ccccc21)C(C)C ZINC000020298709 182204053 /nfs/dbraw/zinc/20/40/53/182204053.db2.gz SJYWJPWKXCVIAX-UHFFFAOYSA-N 1 0 309.435 1.844 10 0 DDAERO [NH3+]CCS(=O)(=O)CCOc1cccc(Br)c1 ZINC000020399461 182214102 /nfs/dbraw/zinc/21/41/02/182214102.db2.gz BAHJYMBYIZFYFR-UHFFFAOYSA-N 1 0 308.197 1.201 10 0 DDAERO CCOCCC[NH2+]Cc1cc(Cl)ccc1OCC(N)=O ZINC000020873330 182251025 /nfs/dbraw/zinc/25/10/25/182251025.db2.gz NFBWREUYEWMWQB-UHFFFAOYSA-N 1 0 300.786 1.720 10 0 DDAERO Fc1ccc2nc(-c3cccnc3)c(CN3CC[NH2+]CC3)n2c1 ZINC000036274000 182811951 /nfs/dbraw/zinc/81/19/51/182811951.db2.gz JNVRAGIOGLEDTL-UHFFFAOYSA-N 1 0 311.364 1.941 10 0 DDAERO NC(=O)[C@@]1(Nc2ccc(Br)cc2)C[NH+]2CCC1CC2 ZINC000037944340 182941294 /nfs/dbraw/zinc/94/12/94/182941294.db2.gz AEYMNECJDFNGSW-CQSZACIVSA-N 1 0 324.222 1.811 10 0 DDAERO C[C@H](CNC(=O)c1ccc(Br)c(N)c1)[NH+](C)C ZINC000040338994 183054842 /nfs/dbraw/zinc/05/48/42/183054842.db2.gz DJWDATCEXPUNQB-MRVPVSSYSA-N 1 0 300.200 1.711 10 0 DDAERO O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@@H+](CCC2(O)CC2)C1 ZINC000333501270 249003825 /nfs/dbraw/zinc/00/38/25/249003825.db2.gz NZVPYTFLLRGZFW-CQSZACIVSA-N 1 0 316.467 1.228 10 0 DDAERO CCn1cc([C@H]2OCC[C@@H]2NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000333658932 249060405 /nfs/dbraw/zinc/06/04/05/249060405.db2.gz WTAZYGYZNLSKFK-LJISPDSOSA-N 1 0 321.425 1.302 10 0 DDAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cc3c(cc2Cl)OCCO3)C1 ZINC000040632729 183111508 /nfs/dbraw/zinc/11/15/08/183111508.db2.gz UDYMCBVCSDKJBX-LDYMZIIASA-N 1 0 312.753 1.427 10 0 DDAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cc3c(cc2Cl)NC(=O)C3)C1 ZINC000040633042 183111748 /nfs/dbraw/zinc/11/17/48/183111748.db2.gz LEGSWMYMAWZNJR-PRHODGIISA-N 1 0 309.753 1.150 10 0 DDAERO CNC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2C[C@@H](OC)C[NH2+]2)c1 ZINC000040633308 183111922 /nfs/dbraw/zinc/11/19/22/183111922.db2.gz CWFAFEZTWOWANJ-SKDRFNHKSA-N 1 0 311.769 1.015 10 0 DDAERO C[C@H]1CCN(C(=O)NCCc2cn3c(n2)SCC3)[C@H](C[NH3+])C1 ZINC000333835497 249122331 /nfs/dbraw/zinc/12/23/31/249122331.db2.gz UFIMDXMARQOTOH-AAEUAGOBSA-N 1 0 323.466 1.300 10 0 DDAERO COc1cc(NC(=O)[C@@H]2C[C@@H](OC)C[NH2+]2)c(OC)cc1Cl ZINC000040629992 183110698 /nfs/dbraw/zinc/11/06/98/183110698.db2.gz JFGMWLNFQWUTLW-KCJUWKMLSA-N 1 0 314.769 1.673 10 0 DDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000040855740 183142879 /nfs/dbraw/zinc/14/28/79/183142879.db2.gz UQFFJCOBBQPLPX-UHIISALHSA-N 1 0 312.435 1.641 10 0 DDAERO CC[C@H](C)[NH2+]CC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000040855788 183142930 /nfs/dbraw/zinc/14/29/30/183142930.db2.gz MBFPMBHHDDLZAM-RYUDHWBXSA-N 1 0 312.435 1.655 10 0 DDAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000040749891 183129062 /nfs/dbraw/zinc/12/90/62/183129062.db2.gz APRMMABYOARFHC-YOGCLGLASA-N 1 0 300.811 1.983 10 0 DDAERO CC1CC[NH+](CCNS(=O)(=O)c2ccc(F)c(N)c2)CC1 ZINC000040771065 183131187 /nfs/dbraw/zinc/13/11/87/183131187.db2.gz KMYZZYZTKDFZFQ-UHFFFAOYSA-N 1 0 315.414 1.418 10 0 DDAERO COc1cc(CCNC(=O)C(C)(C)[NH3+])ccc1OC(F)F ZINC000040925289 183149294 /nfs/dbraw/zinc/14/92/94/183149294.db2.gz XYTNJYAIYRRTAT-UHFFFAOYSA-N 1 0 302.321 1.693 10 0 DDAERO CC[NH+](CC)CCNC(=O)Cc1c(C)nc2c(C)cccn12 ZINC000041288251 183183580 /nfs/dbraw/zinc/18/35/80/183183580.db2.gz BWFOLRHIIHHTIM-UHFFFAOYSA-N 1 0 302.422 1.952 10 0 DDAERO CS(=O)(=O)c1ccc(-c2c[nH]c(C[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000042172873 183238736 /nfs/dbraw/zinc/23/87/36/183238736.db2.gz YJZIOCJPBBWZIP-LBPRGKRZSA-N 1 0 305.403 1.775 10 0 DDAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000337148448 249365837 /nfs/dbraw/zinc/36/58/37/249365837.db2.gz JKPWRZBVVLRFCL-KCQAQPDRSA-N 1 0 307.438 1.376 10 0 DDAERO CC[C@H]([NH3+])c1cccc(S(=O)(=O)N(CC)CC(=O)OC)c1 ZINC000042528304 183280826 /nfs/dbraw/zinc/28/08/26/183280826.db2.gz QXECMCIFNKYVPC-ZDUSSCGKSA-N 1 0 314.407 1.280 10 0 DDAERO COCCN(CC(C)C)S(=O)(=O)c1ccccc1C[NH3+] ZINC000042370688 183260311 /nfs/dbraw/zinc/26/03/11/183260311.db2.gz WOLCFVIWZFDRCE-UHFFFAOYSA-N 1 0 300.424 1.438 10 0 DDAERO C[C@H]1c2ccsc2CCN1C1(C[NH3+])CCS(=O)(=O)CC1 ZINC000042743951 183304923 /nfs/dbraw/zinc/30/49/23/183304923.db2.gz GTPQSPGCQGWDEH-NSHDSACASA-N 1 0 314.476 1.573 10 0 DDAERO CNC(=O)CN(C)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020470 183328638 /nfs/dbraw/zinc/32/86/38/183328638.db2.gz DSFXRFVSPRAHGH-NOZJJQNGSA-N 1 0 314.227 1.515 10 0 DDAERO CCN([C@H](C)COC)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000042782372 183308857 /nfs/dbraw/zinc/30/88/57/183308857.db2.gz WGJHZHOHWNNVDY-SNVBAGLBSA-N 1 0 306.453 1.295 10 0 DDAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)s1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043241139 183345748 /nfs/dbraw/zinc/34/57/48/183345748.db2.gz ABQIUBVHPKGJQC-DYEKYZERSA-N 1 0 316.492 1.954 10 0 DDAERO CCNC(=O)CN(C)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000043262184 183349138 /nfs/dbraw/zinc/34/91/38/183349138.db2.gz JLBAXNKYAQFTFZ-MRVPVSSYSA-N 1 0 320.256 1.578 10 0 DDAERO O=c1[nH]c2cc(Br)c(N[C@@H]3CCC[NH2+]C3)cc2[nH]1 ZINC000043326845 183355126 /nfs/dbraw/zinc/35/51/26/183355126.db2.gz RCBXWMNSDSKFCZ-SSDOTTSWSA-N 1 0 311.183 1.783 10 0 DDAERO C[C@@H]([NH3+])[C@@H](Oc1cccc(S(C)(=O)=O)c1)c1ccncc1 ZINC000043356239 183356597 /nfs/dbraw/zinc/35/65/97/183356597.db2.gz RLTXVGCCTUGIEF-IAQYHMDHSA-N 1 0 306.387 1.952 10 0 DDAERO C[NH2+]CCC(=O)NCCc1ccc(OC(F)F)c(OC)c1 ZINC000043605964 183375460 /nfs/dbraw/zinc/37/54/60/183375460.db2.gz RQFYFCZLEGBKCN-UHFFFAOYSA-N 1 0 302.321 1.565 10 0 DDAERO COC1(CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CCCCC1 ZINC000185902104 284717578 /nfs/dbraw/zinc/71/75/78/284717578.db2.gz HKCZONFBFXQEOS-AWEZNQCLSA-N 1 0 313.442 1.308 10 0 DDAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)C(=O)NCc1ccc(F)cc1 ZINC000105871437 194151931 /nfs/dbraw/zinc/15/19/31/194151931.db2.gz BGTWBYJALCZRGD-SMDDNHRTSA-N 1 0 317.368 1.027 10 0 DDAERO COc1cccc(CNC(=O)[C@H](C)[NH2+]CCn2cc(C)cn2)c1 ZINC000105881660 194156298 /nfs/dbraw/zinc/15/62/98/194156298.db2.gz NECGJIFWCJRBDL-AWEZNQCLSA-N 1 0 316.405 1.495 10 0 DDAERO CCn1cnnc1C1CC[NH+]([C@H](C)C(=O)NC(C)(C)C)CC1 ZINC000105929452 194172266 /nfs/dbraw/zinc/17/22/66/194172266.db2.gz HKLLXAWOILIYKD-GFCCVEGCSA-N 1 0 307.442 1.781 10 0 DDAERO CCC[NH+]1CCC(Nc2cc(N)cc(S(N)(=O)=O)c2)CC1 ZINC000049554975 183740941 /nfs/dbraw/zinc/74/09/41/183740941.db2.gz VHVUTOKOGRVZJL-UHFFFAOYSA-N 1 0 312.439 1.203 10 0 DDAERO CCN(C1(C[NH3+])CCCC1)S(=O)(=O)CCc1ccccn1 ZINC000050093184 183772450 /nfs/dbraw/zinc/77/24/50/183772450.db2.gz SJVZDKVJGTUOJX-UHFFFAOYSA-N 1 0 311.451 1.547 10 0 DDAERO CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N[C@H]2CCCOC2)cc1 ZINC000109550531 194272667 /nfs/dbraw/zinc/27/26/67/194272667.db2.gz HNXAEGJXYASZBF-OCCSQVGLSA-N 1 0 312.435 1.814 10 0 DDAERO CCC[C@@H](c1nc(C(F)(F)F)cc(=O)[nH]1)N1CC[NH2+]CC1 ZINC000109476071 194267901 /nfs/dbraw/zinc/26/79/01/194267901.db2.gz HIDFRFPNENUEFR-VIFPVBQESA-N 1 0 304.316 1.535 10 0 DDAERO CCCc1nc(N2CC[C@H](N3CCOCC3)C2)sc1C[NH3+] ZINC000110275785 194318815 /nfs/dbraw/zinc/31/88/15/194318815.db2.gz YCMNONCLPRVLFJ-LBPRGKRZSA-N 1 0 310.467 1.465 10 0 DDAERO C[C@@H](C(=O)Nc1ccc(Cl)cc1N)N1CC[N@H+](C)[C@@H](C)C1 ZINC000110699964 194352136 /nfs/dbraw/zinc/35/21/36/194352136.db2.gz ZCUYXJYMFXDPQD-QWRGUYRKSA-N 1 0 310.829 1.885 10 0 DDAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000110777571 194357704 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CCCN[C@](C)(CCC[N@@H+]1CCCOCC1)C(=O)OCC ZINC000061933484 184196620 /nfs/dbraw/zinc/19/66/20/184196620.db2.gz CTVMWEBIDUMDRM-MRXNPFEDSA-N 1 0 300.443 1.810 10 0 DDAERO C[C@@H]1CCC[C@H](C(=O)N2CCN(CC(F)(F)F)CC2)[C@@H]1[NH3+] ZINC000061950880 184198448 /nfs/dbraw/zinc/19/84/48/184198448.db2.gz BAHZQAXNILIDSB-GRYCIOLGSA-N 1 0 307.360 1.456 10 0 DDAERO C[C@H]1CC[C@H](CNS(=O)(=O)c2ccc3c(c2)CCC3)C[NH2+]1 ZINC000062037502 184202722 /nfs/dbraw/zinc/20/27/22/184202722.db2.gz PWCFTNDFKBVINL-STQMWFEESA-N 1 0 308.447 1.842 10 0 DDAERO Cc1ccc(CNS(=O)(=O)c2ccc(CC[NH3+])cc2)cn1 ZINC000062037954 184202744 /nfs/dbraw/zinc/20/27/44/184202744.db2.gz ABEYZNZHOFWLDC-UHFFFAOYSA-N 1 0 305.403 1.370 10 0 DDAERO CCOC(=O)[C@@](C)(CCC[N@H+](C)CCCOC)NC1CC1 ZINC000062034767 184202787 /nfs/dbraw/zinc/20/27/87/184202787.db2.gz PNSSXXJKNDHOMV-MRXNPFEDSA-N 1 0 300.443 1.809 10 0 DDAERO CCC(CC)(C[NH2+]C(C)C)CN1CCN(S(C)(=O)=O)CC1 ZINC000062096264 184205872 /nfs/dbraw/zinc/20/58/72/184205872.db2.gz DTYKGDIBYFLBMT-UHFFFAOYSA-N 1 0 319.515 1.368 10 0 DDAERO CCC[NH2+]CC(CC)(CC)CN1CCN(S(C)(=O)=O)CC1 ZINC000062096263 184205913 /nfs/dbraw/zinc/20/59/13/184205913.db2.gz HNQAEAVJBSNLEB-UHFFFAOYSA-N 1 0 319.515 1.370 10 0 DDAERO O=C(Nc1cccc(I)c1)[C@@H]1CC[NH2+]C1 ZINC000062112631 184206493 /nfs/dbraw/zinc/20/64/93/184206493.db2.gz IYOCRTBHAXHMNE-MRVPVSSYSA-N 1 0 316.142 1.839 10 0 DDAERO CCOC(=O)c1c2c(sc1NC(=O)[C@@H]1CC[NH2+]C1)CCC2 ZINC000062116218 184206590 /nfs/dbraw/zinc/20/65/90/184206590.db2.gz UAPSEJRKZCWGQZ-SECBINFHSA-N 1 0 308.403 1.962 10 0 DDAERO CC[C@H](Oc1ccc(C[NH2+]CCOC)cc1Cl)C(N)=O ZINC000062730560 184251619 /nfs/dbraw/zinc/25/16/19/184251619.db2.gz KNVWITPLVDZUBS-LBPRGKRZSA-N 1 0 300.786 1.719 10 0 DDAERO C[C@@H]1CN[C@@H](C(=O)NCc2ccc(C(F)(F)F)cc2)C[NH2+]1 ZINC000062815664 184254130 /nfs/dbraw/zinc/25/41/30/184254130.db2.gz OKYHCCINWIMUHZ-BXKDBHETSA-N 1 0 301.312 1.272 10 0 DDAERO CCC[C@]1(C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)CCC[NH2+]C1 ZINC000062856678 184257129 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C[NH2+][C@H](C)c1ccc(OCCCS(C)(=O)=O)c(OC)c1 ZINC000063014357 184266641 /nfs/dbraw/zinc/26/66/41/184266641.db2.gz NXECJVNENFMPFB-LLVKDONJSA-N 1 0 301.408 1.789 10 0 DDAERO COc1ccc(C[C@@H](C)[NH3+])cc1OCCCS(C)(=O)=O ZINC000063017566 184267046 /nfs/dbraw/zinc/26/70/46/184267046.db2.gz JTBUWZACOUPERI-LLVKDONJSA-N 1 0 301.408 1.398 10 0 DDAERO CC(=O)Nc1cccc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000118796353 194926461 /nfs/dbraw/zinc/92/64/61/194926461.db2.gz NTRCTAXYSGTUQL-OAHLLOKOSA-N 1 0 320.393 1.439 10 0 DDAERO C[C@H](Cc1ccccc1F)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000119056413 194964800 /nfs/dbraw/zinc/96/48/00/194964800.db2.gz QFFYYKOYBQEHKL-UKRRQHHQSA-N 1 0 308.397 1.793 10 0 DDAERO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)CCn1cccn1 ZINC000158981777 197315980 /nfs/dbraw/zinc/31/59/80/197315980.db2.gz OPDUXWMYRMDJDQ-CHWSQXEVSA-N 1 0 304.398 1.524 10 0 DDAERO Cc1nc(C)c(CCC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c(=O)[nH]1 ZINC000155463990 197057925 /nfs/dbraw/zinc/05/79/25/197057925.db2.gz CQUHUUFJOQMCJK-XHDPSFHLSA-N 1 0 320.437 1.164 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000176976335 285237183 /nfs/dbraw/zinc/23/71/83/285237183.db2.gz ZBFKYRBKRYPDOD-CHWSQXEVSA-N 1 0 307.394 1.341 10 0 DDAERO Cc1cc(F)cc(C)c1S(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000229365574 291914981 /nfs/dbraw/zinc/91/49/81/291914981.db2.gz SMFQFLQZOZRKJY-YPMHNXCESA-N 1 0 300.399 1.719 10 0 DDAERO CCc1nn(C)c(CC)c1CN1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000120773165 195235360 /nfs/dbraw/zinc/23/53/60/195235360.db2.gz GIDMPSICJQVTTF-HUUCEWRRSA-N 1 0 322.497 1.822 10 0 DDAERO COCCN1CC[C@@H]2C[N@H+](Cc3ccc(OC)cc3)C[C@H]2C1=O ZINC000247896195 257115352 /nfs/dbraw/zinc/11/53/52/257115352.db2.gz OUBYTOIUNBWDEM-NVXWUHKLSA-N 1 0 318.417 1.622 10 0 DDAERO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2C[C@H]2CCOC2)N1Cc1ccncc1 ZINC000247847306 257117620 /nfs/dbraw/zinc/11/76/20/257117620.db2.gz FENONYXDWONXJU-BRWVUGGUSA-N 1 0 315.417 1.683 10 0 DDAERO CS(=O)(=O)N1CCO[C@@H]2CC[N@H+](C[C@H]3CC=CCC3)C[C@H]21 ZINC000247488356 257119171 /nfs/dbraw/zinc/11/91/71/257119171.db2.gz AQIFIFHENHMZBS-RRFJBIMHSA-N 1 0 314.451 1.077 10 0 DDAERO O=S1(=O)c2ccccc2O[C@@H]2CC[NH2+]CC[C@H]2N1CC1CC1 ZINC000247335811 257120336 /nfs/dbraw/zinc/12/03/36/257120336.db2.gz QROSXXQPQTWCOZ-ZIAGYGMSSA-N 1 0 322.430 1.600 10 0 DDAERO O=C1NCCO[C@@H]2C[N@H+](CCOCc3ccccc3)CC[C@H]12 ZINC000253615373 257104668 /nfs/dbraw/zinc/10/46/68/257104668.db2.gz ODVWDIFVMUZKPG-JKSUJKDBSA-N 1 0 304.390 1.040 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)Nc1ccc(Cl)c(Cl)c1 ZINC000414663010 224369348 /nfs/dbraw/zinc/36/93/48/224369348.db2.gz RUMMTJQUORIWRL-RDDDGLTNSA-N 1 0 304.177 1.695 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)CCS(C)(=O)=O)C12CCOCC2 ZINC000249020145 286291781 /nfs/dbraw/zinc/29/17/81/286291781.db2.gz QLVNNKZEWLWNJI-MGPQQGTHSA-N 1 0 319.467 1.373 10 0 DDAERO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000329799652 286620388 /nfs/dbraw/zinc/62/03/88/286620388.db2.gz IGGMBAFWFQXNGX-QKPAOTATSA-N 1 0 308.447 1.993 10 0 DDAERO C[NH+](C)CCNC(=O)NC1(C(F)(F)F)Oc2ccccc2O1 ZINC000000212686 406631254 /nfs/dbraw/zinc/63/12/54/406631254.db2.gz ABBFRYRALCCFJO-UHFFFAOYSA-N 1 0 319.283 1.535 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccc(Cl)nc1 ZINC000032072800 406944921 /nfs/dbraw/zinc/94/49/21/406944921.db2.gz HBRHWGGYNZBTDO-JTQLQIEISA-N 1 0 305.831 1.744 10 0 DDAERO COCC[N@H+](C)CCCNC(=O)N[C@@H]1CCOc2ccccc21 ZINC000078509593 407030814 /nfs/dbraw/zinc/03/08/14/407030814.db2.gz SRJKJEGXELJHPA-OAHLLOKOSA-N 1 0 321.421 1.778 10 0 DDAERO Cc1ccccc1C(=O)N[C@H](C(=O)NCCC[NH+](C)C)C(C)C ZINC000045164307 407040124 /nfs/dbraw/zinc/04/01/24/407040124.db2.gz QNNBKUCWTQEVRA-INIZCTEOSA-N 1 0 319.449 1.817 10 0 DDAERO O=C(NCc1ccc(F)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000049172427 407116745 /nfs/dbraw/zinc/11/67/45/407116745.db2.gz QOSNFQUUAMALTK-HNNXBMFYSA-N 1 0 309.385 1.472 10 0 DDAERO Cc1cnn(C[C@H]2C[N@H+](CCCCn3ccnc3C)CCO2)c1 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CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H](C)c1nnnn1C1CC1 ZINC000191119958 697601532 /nfs/dbraw/zinc/60/15/32/697601532.db2.gz OGCYCXIBGUFDDX-NWDGAFQWSA-N 1 0 323.445 1.345 10 0 DDAERO CC[C@@H]1CN(C[C@@H]2CC3(CCC3)C(=O)O2)CC[N@@H+]1CCOC ZINC000192001697 697618021 /nfs/dbraw/zinc/61/80/21/697618021.db2.gz HQTGNYJVOFDYIE-CABCVRRESA-N 1 0 310.438 1.515 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](O)c2ccc(F)cc2)C1 ZINC000194176144 697696091 /nfs/dbraw/zinc/69/60/91/697696091.db2.gz KUSCLPNGIMHFDZ-CABCVRRESA-N 1 0 309.385 1.643 10 0 DDAERO CC[NH+](CC)CCNC(=O)c1nn2c(c1Cl)OCCC2 ZINC000223784655 697762424 /nfs/dbraw/zinc/76/24/24/697762424.db2.gz WIHAFJNOIXCRLJ-UHFFFAOYSA-N 1 0 300.790 1.391 10 0 DDAERO COc1nc(N2CCC([C@@H](C)[NH3+])CC2)ncc1Br ZINC000235019649 697792726 /nfs/dbraw/zinc/79/27/26/697792726.db2.gz VGRSREYGUHDEIN-MRVPVSSYSA-N 1 0 315.215 1.811 10 0 DDAERO O=S(=O)(c1ccccc1NC[C@@H]1COCC[NH2+]1)C(F)F ZINC000236143619 697794968 /nfs/dbraw/zinc/79/49/68/697794968.db2.gz 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ZINC000262035608 698451469 /nfs/dbraw/zinc/45/14/69/698451469.db2.gz FOGFGWJJHRDVML-HUUCEWRRSA-N 1 0 312.385 1.317 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1sccc1SC(F)F ZINC000262230411 698460136 /nfs/dbraw/zinc/46/01/36/698460136.db2.gz KERRUGRQPJYVBE-NKWVEPMBSA-N 1 0 308.375 1.373 10 0 DDAERO CCO[C@H](C)c1nc(CN(C)C(=O)[C@H]([NH3+])COC)cs1 ZINC000262307033 698463879 /nfs/dbraw/zinc/46/38/79/698463879.db2.gz OOCVTJFHUDQJIU-MWLCHTKSSA-N 1 0 301.412 1.173 10 0 DDAERO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)COCc2ccccc2)C[C@@H]1C ZINC000309576922 698665042 /nfs/dbraw/zinc/66/50/42/698665042.db2.gz WLBQVLYJIFXVMS-NUEKZKHPSA-N 1 0 307.390 1.305 10 0 DDAERO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1cn[nH]n1 ZINC000309800884 698667480 /nfs/dbraw/zinc/66/74/80/698667480.db2.gz RWFWOBOHKAFTNO-QLFBSQMISA-N 1 0 311.389 1.445 10 0 DDAERO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000309878505 698667979 /nfs/dbraw/zinc/66/79/79/698667979.db2.gz XYMVDISFLZSHKE-QWRGUYRKSA-N 1 0 308.444 1.265 10 0 DDAERO Cn1c(Cl)c(Cl)cc1C(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000701024794 699225758 /nfs/dbraw/zinc/22/57/58/699225758.db2.gz WAWBORGOWKELIR-MWLCHTKSSA-N 1 0 318.204 1.535 10 0 DDAERO C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1nccn1C ZINC000702765508 699232503 /nfs/dbraw/zinc/23/25/03/699232503.db2.gz LFMIKKKSGZEZEF-RWMBFGLXSA-N 1 0 324.425 1.299 10 0 DDAERO COCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702833819 699233398 /nfs/dbraw/zinc/23/33/98/699233398.db2.gz AQZSOIRARWKMPJ-XQQFMLRXSA-N 1 0 302.415 1.229 10 0 DDAERO Cc1c[nH+]ccc1NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702842573 699233755 /nfs/dbraw/zinc/23/37/55/699233755.db2.gz NQRAQIGNKWXSEU-TZMCWYRMSA-N 1 0 307.394 1.452 10 0 DDAERO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]Cc2nccs2)C1 ZINC000702842398 699234060 /nfs/dbraw/zinc/23/40/60/699234060.db2.gz WUBKVONCODEDJD-WDEREUQCSA-N 1 0 313.423 1.461 10 0 DDAERO CO[C@H]1CN(C(=O)c2nc(Cl)ccc2Cl)[C@@](C)(C[NH3+])C1 ZINC000708972352 699251432 /nfs/dbraw/zinc/25/14/32/699251432.db2.gz JYFCNTCIJGKYHJ-AMIZOPFISA-N 1 0 318.204 1.967 10 0 DDAERO CO[C@]1(C[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)CCOC1 ZINC000711488964 699258353 /nfs/dbraw/zinc/25/83/53/699258353.db2.gz BNVDVCNMKJMBFR-ZUEPYMLJSA-N 1 0 314.426 1.685 10 0 DDAERO CCC1([NH3+])CCN(c2cnn(C)c(=O)c2Br)CC1 ZINC000714753082 699272411 /nfs/dbraw/zinc/27/24/11/699272411.db2.gz SMQALCMXEDSPIL-UHFFFAOYSA-N 1 0 315.215 1.251 10 0 DDAERO O=C(NCc1ccc(Cl)s1)[C@]12C[NH2+]C[C@H]1COCC2 ZINC000715452897 699274876 /nfs/dbraw/zinc/27/48/76/699274876.db2.gz KPRKSIOXQXTENK-TVQRCGJNSA-N 1 0 300.811 1.644 10 0 DDAERO CC(C)(C)OC(=O)NC1CCC([NH2+]C2CC(C(N)=O)C2)CC1 ZINC000716697659 699283521 /nfs/dbraw/zinc/28/35/21/699283521.db2.gz HGIJGISJVPPDOR-UHFFFAOYSA-N 1 0 311.426 1.676 10 0 DDAERO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C1CC(C(N)=O)C1 ZINC000716699417 699283997 /nfs/dbraw/zinc/28/39/97/699283997.db2.gz RFRDQBKPOAUPOS-CPCZMJQVSA-N 1 0 313.442 1.637 10 0 DDAERO CO[C@@H]1CCOC[C@H]1[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000724877275 699327631 /nfs/dbraw/zinc/32/76/31/699327631.db2.gz ISJOLYIJGCZUGF-NWINJMCUSA-N 1 0 314.426 1.683 10 0 DDAERO Cn1nccc1[C@H]1[C@H]([NH2+]CCCc2cccnc2)CC(=O)N1C ZINC000857706541 704614695 /nfs/dbraw/zinc/61/46/95/704614695.db2.gz YTNZXWMTKKCDPR-RHSMWYFYSA-N 1 0 313.405 1.309 10 0 DDAERO CCc1cc(N2CCC[C@](O)(Cc3nncn3C)C2)cc[nH+]1 ZINC000886065558 708691281 /nfs/dbraw/zinc/69/12/81/708691281.db2.gz LSKWPPQAXGCYEF-INIZCTEOSA-N 1 0 301.394 1.347 10 0 DDAERO CO[C@H]1CCN([C@H]2CCC[C@H]2[NH2+]CCn2cc(Cl)cn2)C1 ZINC000886082584 708694948 /nfs/dbraw/zinc/69/49/48/708694948.db2.gz ROQYNVXYZIQQAE-ZNMIVQPWSA-N 1 0 312.845 1.768 10 0 DDAERO C/C=C\[C@H](O)C(=O)N1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000907556816 712594476 /nfs/dbraw/zinc/59/44/76/712594476.db2.gz WEMAUWVTWATNTI-UAEFUFSTSA-N 1 0 303.406 1.781 10 0 DDAERO CC[C@H]1CN(C(=O)NCCC2=CCCC2)CC[N@@H+]1C[C@H](C)O ZINC000248495586 282087506 /nfs/dbraw/zinc/08/75/06/282087506.db2.gz QJNQXYSMLRTLHF-HOCLYGCPSA-N 1 0 309.454 1.973 10 0 DDAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](CN3CCCC3=O)C[C@H]21 ZINC000248579720 282092125 /nfs/dbraw/zinc/09/21/25/282092125.db2.gz FCVIFJKFJTUECQ-BFHYXJOUSA-N 1 0 323.437 1.801 10 0 DDAERO COc1ccc([C@H]([NH3+])CSCCS(C)(=O)=O)c(OC)c1 ZINC000081768837 192322374 /nfs/dbraw/zinc/32/23/74/192322374.db2.gz HHYWUXVVLPHYQL-GFCCVEGCSA-N 1 0 319.448 1.481 10 0 DDAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2ccc(F)nc2)CC1 ZINC000181242624 199270289 /nfs/dbraw/zinc/27/02/89/199270289.db2.gz PFHPNZWTEQUJEV-LBPRGKRZSA-N 1 0 324.400 1.777 10 0 DDAERO C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000081900407 192334985 /nfs/dbraw/zinc/33/49/85/192334985.db2.gz XXHUSTHPDYNXIH-MXWKQRLJSA-N 1 0 317.373 1.899 10 0 DDAERO C[NH2+][C@H](C)c1ccc(NC(=O)N[C@H](C)CS(C)(=O)=O)cc1 ZINC000081905950 192338032 /nfs/dbraw/zinc/33/80/32/192338032.db2.gz FAKPHIDIHREEOX-GHMZBOCLSA-N 1 0 313.423 1.522 10 0 DDAERO C[C@@H](CC[NH3+])CCC(=O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000079117922 185159396 /nfs/dbraw/zinc/15/93/96/185159396.db2.gz IZTNCQOEDSYYEM-VXGBXAGGSA-N 1 0 309.376 1.752 10 0 DDAERO C[C@H](CC[NH3+])CCC(=O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000079117921 185159441 /nfs/dbraw/zinc/15/94/41/185159441.db2.gz IZTNCQOEDSYYEM-NWDGAFQWSA-N 1 0 309.376 1.752 10 0 DDAERO CN(C(=O)CC[C@H](CC[NH3+])C(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000079290455 185163448 /nfs/dbraw/zinc/16/34/48/185163448.db2.gz WJAGWMSHPMXVNQ-OLZOCXBDSA-N 1 0 318.483 1.423 10 0 DDAERO COCCN(C(=O)CC[C@@H](CC[NH3+])C(C)C)[C@@H](C)COC ZINC000079278185 185163119 /nfs/dbraw/zinc/16/31/19/185163119.db2.gz SGQRJRAWWMXZIJ-GJZGRUSLSA-N 1 0 302.459 1.898 10 0 DDAERO C[NH+]1CCC(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)CC1 ZINC000082348103 185176758 /nfs/dbraw/zinc/17/67/58/185176758.db2.gz WXIKXLOSCDYMHY-UHFFFAOYSA-N 1 0 319.424 1.607 10 0 DDAERO C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)S(=O)(=O)CCC(=O)OC ZINC000081975163 192347441 /nfs/dbraw/zinc/34/74/41/192347441.db2.gz XYWCFCBZTMBGPZ-DOMZBBRYSA-N 1 0 313.419 1.622 10 0 DDAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+]CC2=CCCOC2)CC(=O)N1C ZINC000328624745 231256805 /nfs/dbraw/zinc/25/68/05/231256805.db2.gz KDLRPNXXVIALSK-RHSMWYFYSA-N 1 0 318.421 1.245 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC1(OC)CCOCC1 ZINC000125747120 539181419 /nfs/dbraw/zinc/18/14/19/539181419.db2.gz KPTYGFKXOQJMKM-AWEZNQCLSA-N 1 0 313.442 1.308 10 0 DDAERO CCC[C@@H](C[NH3+])NS(=O)(=O)Cc1ccc(C(=O)OC)cc1 ZINC000087404388 185223791 /nfs/dbraw/zinc/22/37/91/185223791.db2.gz WLCXVUJXQSIVIU-ZDUSSCGKSA-N 1 0 314.407 1.020 10 0 DDAERO [NH3+][C@H](c1sccc1Br)[C@@H]1CN2CCN1CC2 ZINC000087570646 185228296 /nfs/dbraw/zinc/22/82/96/185228296.db2.gz AMHDPQZLIRNVRF-UWVGGRQHSA-N 1 0 302.241 1.510 10 0 DDAERO C[C@@]1(CNCc2sccc2Br)COC[C@@H]1[NH3+] ZINC000087576087 185228594 /nfs/dbraw/zinc/22/85/94/185228594.db2.gz NZBRNFLNASZVPQ-WDEREUQCSA-N 1 0 305.241 1.964 10 0 DDAERO CC[C@@H](C(N)=S)[NH+]1CCN(c2nc(C3CC3)ns2)CC1 ZINC000087639960 185229911 /nfs/dbraw/zinc/22/99/11/185229911.db2.gz KYSMJCVJZQLEMQ-JTQLQIEISA-N 1 0 311.480 1.602 10 0 DDAERO C[C@@H]([NH3+])CCC[C@@H](C)C(=O)Nc1ccccc1S(N)(=O)=O ZINC000087697831 185230756 /nfs/dbraw/zinc/23/07/56/185230756.db2.gz BVMZOHVLIAFWJN-GHMZBOCLSA-N 1 0 313.423 1.426 10 0 DDAERO Cc1nnc(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)n1CC[NH3+] ZINC000087715160 185230907 /nfs/dbraw/zinc/23/09/07/185230907.db2.gz INPNSTAUXFZFEV-QWRGUYRKSA-N 1 0 311.455 1.427 10 0 DDAERO COc1ccc([C@@H](C)[NH2+]C(CO)CO)cc1Br ZINC000087750120 185231388 /nfs/dbraw/zinc/23/13/88/185231388.db2.gz QNRRDMCETUXPLX-MRVPVSSYSA-N 1 0 304.184 1.462 10 0 DDAERO O=S(=O)(CCC1CC[NH2+]CC1)N1CCC[C@@H]2CCC[C@H]21 ZINC000087772350 185231685 /nfs/dbraw/zinc/23/16/85/185231685.db2.gz XDEOUXUCZSFRRL-LSDHHAIUSA-N 1 0 300.468 1.970 10 0 DDAERO CCOC(=O)CS(=O)(=O)[C@@H]1CCc2ccccc2[C@H]1[NH2+]C ZINC000081977176 192347678 /nfs/dbraw/zinc/34/76/78/192347678.db2.gz QYOCLZQPLXIJAI-UKRRQHHQSA-N 1 0 311.403 1.240 10 0 DDAERO CCC[C@@H]1CC[C@H]([NH2+]C)[C@H](S(=O)(=O)CC(=O)OCC)C1 ZINC000081977537 192347884 /nfs/dbraw/zinc/34/78/84/192347884.db2.gz YQHUNQHHXLPIOC-FRRDWIJNSA-N 1 0 305.440 1.521 10 0 DDAERO O=S(=O)(Nc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CC[NH2+]C1 ZINC000088056153 185238390 /nfs/dbraw/zinc/23/83/90/185238390.db2.gz KWHYYEXVQDYHGO-MRVPVSSYSA-N 1 0 306.290 1.112 10 0 DDAERO CN(C)C(=O)CCn1c(N)[nH+]c2ccc(Br)cc21 ZINC000087837347 185233106 /nfs/dbraw/zinc/23/31/06/185233106.db2.gz DVWVTQKQQSACEE-UHFFFAOYSA-N 1 0 311.183 1.859 10 0 DDAERO NNc1nc(-n2ncc3ccccc32)c(Br)c[nH+]1 ZINC000087867592 185234176 /nfs/dbraw/zinc/23/41/76/185234176.db2.gz PMICDDXKPCLTGU-UHFFFAOYSA-N 1 0 305.139 1.864 10 0 DDAERO NNc1nc(NCCc2nccs2)c(Br)c[nH+]1 ZINC000087876448 185234178 /nfs/dbraw/zinc/23/41/78/185234178.db2.gz VNYXRTTXLVPCIU-UHFFFAOYSA-N 1 0 315.200 1.636 10 0 DDAERO C[NH+](C)C[C@H](NC(=O)c1cccc2n[nH]nc21)c1ccccc1 ZINC000163451228 539223997 /nfs/dbraw/zinc/22/39/97/539223997.db2.gz LTVJJYGVMXKTOK-HNNXBMFYSA-N 1 0 309.373 1.991 10 0 DDAERO CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1S(=O)(=O)CCC(=O)OC ZINC000081975346 192348235 /nfs/dbraw/zinc/34/82/35/192348235.db2.gz QFKONQCWWIJQOY-MCIONIFRSA-N 1 0 319.467 1.767 10 0 DDAERO [NH3+]CCCS(=O)(=O)Nc1c2nsnc2ccc1Cl ZINC000088120600 185239966 /nfs/dbraw/zinc/23/99/66/185239966.db2.gz ZXDFOYHIOLRCGB-UHFFFAOYSA-N 1 0 306.800 1.435 10 0 DDAERO CS(=O)(=O)Nc1ccc(Cl)c(NC(=O)C2([NH3+])CC2)c1 ZINC000088129999 185240353 /nfs/dbraw/zinc/24/03/53/185240353.db2.gz MXDZBFSPWDDWOZ-UHFFFAOYSA-N 1 0 303.771 1.141 10 0 DDAERO CNC(=O)[C@H]([NH2+]C[C@H](O)COCc1ccccc1F)C(C)C ZINC000183677383 539243077 /nfs/dbraw/zinc/24/30/77/539243077.db2.gz DIUVQIZGZNLINV-DZGCQCFKSA-N 1 0 312.385 1.063 10 0 DDAERO C[C@H]([NH2+]CC(=O)N1CCN(Cc2ccco2)CC1)[C@H]1CCCO1 ZINC000183116571 539240836 /nfs/dbraw/zinc/24/08/36/539240836.db2.gz OYUBAPGHJDNYGV-GOEBONIOSA-N 1 0 321.421 1.081 10 0 DDAERO C[C@@H](C(=O)Nc1ncccc1Br)N1CC[NH2+]CC1 ZINC000088447297 185251112 /nfs/dbraw/zinc/25/11/12/185251112.db2.gz JTDLDQLHRZOBDE-VIFPVBQESA-N 1 0 313.199 1.076 10 0 DDAERO CCOC(=O)[C@@H]1C[NH2+]CCN1c1ccc(Br)cn1 ZINC000088673097 185262232 /nfs/dbraw/zinc/26/22/32/185262232.db2.gz PZGJLFMYPQRDPM-JTQLQIEISA-N 1 0 314.183 1.185 10 0 DDAERO CC[C@H]([NH2+]C)[C@H](C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000082011681 192353506 /nfs/dbraw/zinc/35/35/06/192353506.db2.gz KEDJVHCIAGLHKT-GWCFXTLKSA-N 1 0 319.448 1.250 10 0 DDAERO C[C@@](O)(CO)C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000090286382 185289209 /nfs/dbraw/zinc/28/92/09/185289209.db2.gz PVZMZSBLXBVICG-OLZOCXBDSA-N 1 0 300.196 1.769 10 0 DDAERO OC[C@H](O)C[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000090281974 185289389 /nfs/dbraw/zinc/28/93/89/185289389.db2.gz NODBDEHYEPFLGA-KGPNIALWSA-N 1 0 300.196 1.638 10 0 DDAERO COc1cc(CN(C)C2C[NH2+]C2)cc(Br)c1O ZINC000090289503 185289727 /nfs/dbraw/zinc/28/97/27/185289727.db2.gz GBWISBBOSOPGHU-UHFFFAOYSA-N 1 0 301.184 1.567 10 0 DDAERO C[NH2+]Cc1cn(Cc2noc(-c3ccc(Cl)cc3)n2)nn1 ZINC000090295682 185290040 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C[NH+](C)C[C@@H]1CN(C(=O)c2nc3cccnc3s2)CCO1 ZINC000193948921 201151206 /nfs/dbraw/zinc/15/12/06/201151206.db2.gz SJOGVCPQFTULCG-SNVBAGLBSA-N 1 0 306.391 1.094 10 0 DDAERO CCCCOC[C@@H](O)C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000195202980 201357642 /nfs/dbraw/zinc/35/76/42/201357642.db2.gz CPVCWRJYOXOWTD-KRWDZBQOSA-N 1 0 307.438 1.377 10 0 DDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccc(C(N)=O)c(F)c2)C1 ZINC000246499711 202596598 /nfs/dbraw/zinc/59/65/98/202596598.db2.gz SBBDQMGGEHKGGS-IINYFYTJSA-N 1 0 322.384 1.775 10 0 DDAERO Cc1cc(F)c(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)cc1N ZINC000091394927 193049936 /nfs/dbraw/zinc/04/99/36/193049936.db2.gz PXVWLRXEQKYCGW-NSHDSACASA-N 1 0 315.414 1.431 10 0 DDAERO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H](C(N)=S)c2ccccc2)C1 ZINC000091395078 193050270 /nfs/dbraw/zinc/05/02/70/193050270.db2.gz MFYQPFZYJIPBLJ-KGLIPLIRSA-N 1 0 305.447 1.609 10 0 DDAERO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(N)c2)C1 ZINC000091392257 193050593 /nfs/dbraw/zinc/05/05/93/193050593.db2.gz 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CCC[NH2+][C@H](Cc1ccncc1Cl)[C@H]1CN(C)CCN1C ZINC000093895818 193325810 /nfs/dbraw/zinc/32/58/10/193325810.db2.gz TVZIUBOOMNVPOB-HZPDHXFCSA-N 1 0 310.873 1.892 10 0 DDAERO CCN1CCO[C@@H]([C@@H](Cc2c(Cl)c(C)nn2C)[NH2+]C)C1 ZINC000093914370 193328049 /nfs/dbraw/zinc/32/80/49/193328049.db2.gz GDRIZEBEDOGMMM-DGCLKSJQSA-N 1 0 300.834 1.233 10 0 DDAERO C[NH2+][C@H](Cc1nc2ccccc2s1)[C@@H]1CN(C)CCN1C ZINC000094251580 193355281 /nfs/dbraw/zinc/35/52/81/193355281.db2.gz LCZIBFKFEVDYLK-KGLIPLIRSA-N 1 0 304.463 1.673 10 0 DDAERO COc1ccccc1[C@@H]([C@@H](C)[NH3+])N(C)CCS(C)(=O)=O ZINC000094297258 193356838 /nfs/dbraw/zinc/35/68/38/193356838.db2.gz SFWGTVZDFPOJPQ-BXUZGUMPSA-N 1 0 300.424 1.060 10 0 DDAERO CC[C@H]([NH3+])[C@@H](c1ccc(OC)cc1)N(C)CCS(C)(=O)=O ZINC000094297182 193357069 /nfs/dbraw/zinc/35/70/69/193357069.db2.gz ZUBIVJWQIWVHCG-LSDHHAIUSA-N 1 0 314.451 1.450 10 0 DDAERO CN(CCS(C)(=O)=O)[C@@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000094297904 193357072 /nfs/dbraw/zinc/35/70/72/193357072.db2.gz 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311.432 1.656 10 0 DDAERO CCC[NH2+]C[C@@H]1CCCN(S(=O)(=O)N2CCC(C)(C)C2)C1 ZINC000094814879 193399934 /nfs/dbraw/zinc/39/99/34/193399934.db2.gz MQPAZXNQWSRETL-AWEZNQCLSA-N 1 0 317.499 1.675 10 0 DDAERO C[NH+](C)C[C@H]1C[C@H](O)CN1c1cccc(Br)n1 ZINC000097249893 193697687 /nfs/dbraw/zinc/69/76/87/193697687.db2.gz TXZSYYHKPNBOKT-ZJUUUORDSA-N 1 0 300.200 1.345 10 0 DDAERO CN(C)C[C@@H]1C[C@H](O)C[N@@H+]1[C@@H](CC(N)=S)c1ccccc1 ZINC000097246102 193698249 /nfs/dbraw/zinc/69/82/49/193698249.db2.gz OEHLUNOTKVCGTK-KKUMJFAQSA-N 1 0 307.463 1.401 10 0 DDAERO C[C@H]([NH2+][C@H]1CN2CCC1CC2)c1ccc(S(C)(=O)=O)cc1 ZINC000020023545 182179522 /nfs/dbraw/zinc/17/95/22/182179522.db2.gz BRXUSJCGZBZYPA-LRDDRELGSA-N 1 0 308.447 1.835 10 0 DDAERO CNC(=O)[C@@H]1C[C@@H]([NH2+]C2Cc3ccccc3C2)CN1C(C)C ZINC000020166623 182194037 /nfs/dbraw/zinc/19/40/37/182194037.db2.gz AGDICLGGCBVUSN-SJORKVTESA-N 1 0 301.434 1.341 10 0 DDAERO CCN(CC)[C@H](C[NH2+][C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000021041361 182263202 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ZINC000041710133 183218715 /nfs/dbraw/zinc/21/87/15/183218715.db2.gz HMRQBXXQWKUGBO-GXFFZTMASA-N 1 0 311.407 1.276 10 0 DDAERO C[NH2+]Cc1cccc(Br)c1O[C@@H]1CCOC1=O ZINC000042411623 183265911 /nfs/dbraw/zinc/26/59/11/183265911.db2.gz XOARCKOVUKSRTC-SNVBAGLBSA-N 1 0 300.152 1.863 10 0 DDAERO COCCN([C@@H](C)C1CC1)S(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000042689792 183296073 /nfs/dbraw/zinc/29/60/73/183296073.db2.gz WLWGFWWUJKJKQG-QWHCGFSZSA-N 1 0 304.456 1.063 10 0 DDAERO CC[C@@H]([NH3+])[C@@H](c1cccs1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043104807 183337964 /nfs/dbraw/zinc/33/79/64/183337964.db2.gz QJKAUOGTTFOWNI-WZRBSPASSA-N 1 0 302.465 1.645 10 0 DDAERO COc1ccccc1[C@@H](Sc1nc(N)cc(N)n1)[C@H](C)[NH3+] ZINC000043101974 183338052 /nfs/dbraw/zinc/33/80/52/183338052.db2.gz DJYBRBUVOKRXMF-SDBXPKJASA-N 1 0 305.407 1.830 10 0 DDAERO C[C@H]([NH3+])[C@H](Sc1nnc2n1CCCCC2)c1cnn(C)c1 ZINC000043237450 183345580 /nfs/dbraw/zinc/34/55/80/183345580.db2.gz OXUDKZRITZOMRM-GWCFXTLKSA-N 1 0 306.439 1.919 10 0 DDAERO CC[C@@H]([NH3+])[C@@H](c1sccc1C)N1CCS(=O)(=O)CC1 ZINC000043248041 183347196 /nfs/dbraw/zinc/34/71/96/183347196.db2.gz WUZSSSHAKOFCBS-NEPJUHHUSA-N 1 0 302.465 1.565 10 0 DDAERO CC[NH2+][C@H](c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300936 183351978 /nfs/dbraw/zinc/35/19/78/183351978.db2.gz CISRBRFYUFGJKN-SWLSCSKDSA-N 1 0 313.419 1.789 10 0 DDAERO C[NH2+][C@H](c1cnn(-c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300390 183352434 /nfs/dbraw/zinc/35/24/34/183352434.db2.gz HBZVZOJQAXSWLI-DOMZBBRYSA-N 1 0 305.403 1.568 10 0 DDAERO CC[NH2+][C@H](c1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000043300946 183352784 /nfs/dbraw/zinc/35/27/84/183352784.db2.gz HHKYMVAPKNRQNP-ABAIWWIYSA-N 1 0 313.419 1.789 10 0 DDAERO NC(=O)[C@H]1CCCN1[C@H](C[NH3+])c1ccccc1Br ZINC000043091114 183336128 /nfs/dbraw/zinc/33/61/28/183336128.db2.gz BBHAORMRWBRGIQ-VXGBXAGGSA-N 1 0 312.211 1.399 10 0 DDAERO CC(C)C[N@H+](CCC(N)=S)[C@@H](C)C(=O)NCc1ccco1 ZINC000043418384 183360792 /nfs/dbraw/zinc/36/07/92/183360792.db2.gz HDCAEOXFKWILRW-LBPRGKRZSA-N 1 0 311.451 1.919 10 0 DDAERO [NH3+]C1(C(=O)NCC[S@](=O)Cc2ccccc2)CCCCC1 ZINC000159518512 197359892 /nfs/dbraw/zinc/35/98/92/197359892.db2.gz MRWVKALNAYKABC-OAQYLSRUSA-N 1 0 308.447 1.713 10 0 DDAERO CCCCCNC(=O)[C@H](C)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000105836715 194142377 /nfs/dbraw/zinc/14/23/77/194142377.db2.gz NBOUGNIEHYNZJP-JKSUJKDBSA-N 1 0 313.486 1.724 10 0 DDAERO CCc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCc3ncnn3C2)cc1 ZINC000105870896 194151314 /nfs/dbraw/zinc/15/13/14/194151314.db2.gz IIMQYMMJUYJFAB-WFASDCNBSA-N 1 0 313.405 1.772 10 0 DDAERO C[NH+](C)C[C@H]1CN(CCC(=O)Nc2ccc(F)cc2)CCO1 ZINC000105904504 194167130 /nfs/dbraw/zinc/16/71/30/194167130.db2.gz XKFRIIXYXDGBHZ-HNNXBMFYSA-N 1 0 309.385 1.417 10 0 DDAERO O=S(=O)(C[C@@H]1CCC[NH2+]1)N(Cc1ccsc1)C1CC1 ZINC000049644924 183751060 /nfs/dbraw/zinc/75/10/60/183751060.db2.gz YYFPHFJSAPFLKI-LBPRGKRZSA-N 1 0 300.449 1.794 10 0 DDAERO CCC[C@@H](C[NH3+])N1CCN(c2ncnc3sccc32)CC1 ZINC000109455980 194264884 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CCC[C@H]1CN(C[C@H](O)COC(C)(C)C)CC[N@@H+]1CCOC ZINC000121987763 195387225 /nfs/dbraw/zinc/38/72/25/195387225.db2.gz RSFPDKLXPFPTLV-HOTGVXAUSA-N 1 0 316.486 1.595 10 0 DDAERO C[C@H](C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)N1CCOCC1 ZINC000123424688 195579935 /nfs/dbraw/zinc/57/99/35/195579935.db2.gz JYWPFBIGSNRHAX-HKZYLEAXSA-N 1 0 310.463 1.795 10 0 DDAERO CO[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2F)[C@H](C[NH3+])C1 ZINC000167294581 285717559 /nfs/dbraw/zinc/71/75/59/285717559.db2.gz KLEMDKARGKECMM-VHSXEESVSA-N 1 0 320.361 1.092 10 0 DDAERO COc1c(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c(C)nn1C ZINC000092218246 286183806 /nfs/dbraw/zinc/18/38/06/286183806.db2.gz PFYAMWVFRXYCBI-AWEZNQCLSA-N 1 0 308.426 1.034 10 0 DDAERO C[C@H](O)C[NH+]1CCC(CN(C)Cc2nnc(C3CC3)n2C)CC1 ZINC000069818051 406775875 /nfs/dbraw/zinc/77/58/75/406775875.db2.gz YGGQHYVYUCWOPV-ZDUSSCGKSA-N 1 0 321.469 1.217 10 0 DDAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000076007901 406950049 /nfs/dbraw/zinc/95/00/49/406950049.db2.gz 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C[NH+](C)Cc1cc(O[C@@H]2CCN(c3ncc(F)cn3)C2)ccn1 ZINC000886068810 708691863 /nfs/dbraw/zinc/69/18/63/708691863.db2.gz VBVXSSTVKOMVSU-OAHLLOKOSA-N 1 0 317.368 1.730 10 0 DDAERO C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000899077864 708975957 /nfs/dbraw/zinc/97/59/57/708975957.db2.gz IWCFDXHNZSMKHW-ZFWWWQNUSA-N 1 0 303.410 1.413 10 0 DDAERO Cc1cn[nH]c1C[NH2+][C@H]1CCO[C@@H]1c1cnn(CC2CC2)c1 ZINC000888076054 709209279 /nfs/dbraw/zinc/20/92/79/709209279.db2.gz SQGFCUKWBOESJP-GOEBONIOSA-N 1 0 301.394 1.944 10 0 DDAERO Cc1c(C[NH2+][C@H]2CCO[C@@H]2c2cnn(CC3CC3)c2)cnn1C ZINC000888076047 709209345 /nfs/dbraw/zinc/20/93/45/709209345.db2.gz RVYFBIFADQRHPD-DLBZAZTESA-N 1 0 315.421 1.955 10 0 DDAERO CCn1cc([C@H]2OCC[C@@H]2C[NH2+]Cc2nncn2CC)cn1 ZINC000888077282 709209791 /nfs/dbraw/zinc/20/97/91/709209791.db2.gz YZEABZASNDLDHH-DOMZBBRYSA-N 1 0 304.398 1.382 10 0 DDAERO Cc1cn[nH]c1C[NH2+]C[C@@H]1CCO[C@@H]1c1nc(C2CC2)no1 ZINC000888078467 709210221 /nfs/dbraw/zinc/21/02/21/709210221.db2.gz 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282094982 /nfs/dbraw/zinc/09/49/82/282094982.db2.gz BNWCYRYZUYZZQI-ROUUACIJSA-N 1 0 321.465 1.621 10 0 DDAERO COc1ccc(OC)c([C@@H]([NH3+])CSc2nnc(C)n2C)c1 ZINC000081886133 192333892 /nfs/dbraw/zinc/33/38/92/192333892.db2.gz BKJBSBAONYRVMI-LBPRGKRZSA-N 1 0 308.407 1.933 10 0 DDAERO C[C@@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000081901506 192335841 /nfs/dbraw/zinc/33/58/41/192335841.db2.gz PGXVDLLEGGHQRT-QWRGUYRKSA-N 1 0 319.448 1.174 10 0 DDAERO CC[NH2+][C@@H](CS(=O)(=O)CC)c1ccc(OC)c(OC)c1 ZINC000081925889 192340068 /nfs/dbraw/zinc/34/00/68/192340068.db2.gz YNWSVYKEDJVCNQ-LBPRGKRZSA-N 1 0 301.408 1.789 10 0 DDAERO CCC[NH2+][C@@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(F)cc1F ZINC000081932752 192341027 /nfs/dbraw/zinc/34/10/27/192341027.db2.gz UGQXCYLZPKMCIE-OCCSQVGLSA-N 1 0 319.373 1.896 10 0 DDAERO CC[N@H+](C[C@H](O)CN1CCCC1=O)[C@H](C)Cc1ccsc1 ZINC000249593538 282180457 /nfs/dbraw/zinc/18/04/57/282180457.db2.gz WCBIFHYGYMFZAQ-HIFRSBDPSA-N 1 0 310.463 1.984 10 0 DDAERO CC[C@H](C[NH3+])NS(=O)(=O)c1ccc(Br)c(C)c1 ZINC000087386250 185223451 /nfs/dbraw/zinc/22/34/51/185223451.db2.gz VBEHJKWKRNLOJC-SECBINFHSA-N 1 0 321.240 1.773 10 0 DDAERO COc1cc(C)c(S(=O)(=O)N[C@@H](C[NH3+])C(C)C)c(C)c1 ZINC000087405002 185223975 /nfs/dbraw/zinc/22/39/75/185223975.db2.gz BBCKNPPPWBKSLB-ZDUSSCGKSA-N 1 0 300.424 1.574 10 0 DDAERO CC(C)[C@@H](C[NH3+])C(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000087519536 185227440 /nfs/dbraw/zinc/22/74/40/185227440.db2.gz ATHUTFCVRWQEQC-SNVBAGLBSA-N 1 0 302.371 1.399 10 0 DDAERO CCC[C@H](C[NH3+])C(=O)Nc1ccc(NS(=O)(=O)CC)cc1 ZINC000087523878 185227720 /nfs/dbraw/zinc/22/77/20/185227720.db2.gz OEDTUQCOEPHHEO-LLVKDONJSA-N 1 0 313.423 1.762 10 0 DDAERO C[NH2+][C@@H]1CC(C)(C)Cc2nc(N3CCCNC(=O)C3)sc21 ZINC000087885596 185234540 /nfs/dbraw/zinc/23/45/40/185234540.db2.gz ZTGNRBOFHBXDFU-SNVBAGLBSA-N 1 0 308.451 1.702 10 0 DDAERO COc1nc(Nc2cccc(Br)c2)nc(NN)[nH+]1 ZINC000087896822 185235641 /nfs/dbraw/zinc/23/56/41/185235641.db2.gz RDJRPCJWVLGTEM-UHFFFAOYSA-N 1 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IFZUJSMQFBESGM-JGVFFNPUSA-N 1 0 302.176 1.240 10 0 DDAERO COC[C@@H]([NH2+]C[C@@H](C)N1CCOCC1)c1ccc(F)c(F)c1 ZINC000182277514 539239263 /nfs/dbraw/zinc/23/92/63/539239263.db2.gz CBDVYYAOVHZJPQ-MLGOLLRUSA-N 1 0 314.376 1.963 10 0 DDAERO COC(=O)CS(=O)(=O)C[C@@H]([NH3+])c1ccc(CC(C)C)cc1 ZINC000081975761 192348546 /nfs/dbraw/zinc/34/85/46/192348546.db2.gz MWLXGMFGXPBCQT-CQSZACIVSA-N 1 0 313.419 1.473 10 0 DDAERO CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@@H](C(=O)NC)C(C)C ZINC000183646831 539242526 /nfs/dbraw/zinc/24/25/26/539242526.db2.gz CBXQPYIYKORSGM-MRXNPFEDSA-N 1 0 323.412 1.534 10 0 DDAERO CCc1nc2n(n1)CCC[C@H]2NC(=O)NCC[NH+](CC)CC ZINC000088478450 185252451 /nfs/dbraw/zinc/25/24/51/185252451.db2.gz AGCXOVADQRIRKC-GFCCVEGCSA-N 1 0 308.430 1.316 10 0 DDAERO C[C@H](C(=O)Nc1ncccc1Br)N1CC[NH2+]CC1 ZINC000088447298 185251238 /nfs/dbraw/zinc/25/12/38/185251238.db2.gz JTDLDQLHRZOBDE-SECBINFHSA-N 1 0 313.199 1.076 10 0 DDAERO CC[C@H](COC)NS(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000088551312 185257300 /nfs/dbraw/zinc/25/73/00/185257300.db2.gz MZUGSXVBNMFVQU-GFCCVEGCSA-N 1 0 318.439 1.729 10 0 DDAERO CC[NH+]1CCC(CNS(=O)(=O)c2ccc(C=O)o2)CC1 ZINC000088541270 185255654 /nfs/dbraw/zinc/25/56/54/185255654.db2.gz FIZZUGKTTQDPAZ-UHFFFAOYSA-N 1 0 300.380 1.102 10 0 DDAERO CCOC[C@H](C)NS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088543043 185256195 /nfs/dbraw/zinc/25/61/95/185256195.db2.gz DAJOVIKOQBVULU-NSHDSACASA-N 1 0 304.412 1.481 10 0 DDAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N(C)CC(F)(F)F)o1 ZINC000088543983 185256716 /nfs/dbraw/zinc/25/67/16/185256716.db2.gz GPKUJEYUAIFCND-UHFFFAOYSA-N 1 0 314.329 1.960 10 0 DDAERO C[NH2+]Cc1ncnn1Cc1cc(Br)ccc1OC ZINC000088628675 185260374 /nfs/dbraw/zinc/26/03/74/185260374.db2.gz CBOPUWJMRODWKT-UHFFFAOYSA-N 1 0 311.183 1.817 10 0 DDAERO NC(=O)[C@H]1C[NH2+]CCN1Cc1ccc(SC(F)(F)F)cc1 ZINC000088659560 185261686 /nfs/dbraw/zinc/26/16/86/185261686.db2.gz WHQFSIOCKDZFPK-LLVKDONJSA-N 1 0 319.352 1.558 10 0 DDAERO COc1ccc(C[C@H](C)[NH2+][C@H]2C=CS(=O)(=O)C2)cc1OC ZINC000088853979 185267202 /nfs/dbraw/zinc/26/72/02/185267202.db2.gz ZAODRNBWVBUNKJ-AAEUAGOBSA-N 1 0 311.403 1.535 10 0 DDAERO CCOC(=O)CS(=O)(=O)C[C@H]([NH3+])c1ccc(OCC)cc1 ZINC000081977838 192349335 /nfs/dbraw/zinc/34/93/35/192349335.db2.gz XSYLZVPSMXXRRZ-ZDUSSCGKSA-N 1 0 315.391 1.063 10 0 DDAERO Cc1ccccc1S(=O)(=O)NCCOC1CCC([NH3+])CC1 ZINC000088716369 185263226 /nfs/dbraw/zinc/26/32/26/185263226.db2.gz PUCOBFSAHHDYBG-UHFFFAOYSA-N 1 0 312.435 1.560 10 0 DDAERO CCC[NH2+][C@@H](C)CS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000081990866 192350254 /nfs/dbraw/zinc/35/02/54/192350254.db2.gz KNBYJVVFROPZSK-NSHDSACASA-N 1 0 319.448 1.252 10 0 DDAERO COc1ccc([C@@H]([NH3+])[C@@H](C)S(=O)(=O)C2CCOCC2)cc1 ZINC000081990163 192350898 /nfs/dbraw/zinc/35/08/98/192350898.db2.gz MVURSHUVWTXBOM-ABAIWWIYSA-N 1 0 313.419 1.677 10 0 DDAERO CC(C)[NH2+]CCCS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000081990885 192352014 /nfs/dbraw/zinc/35/20/14/192352014.db2.gz HSPBOQHUMDZKAV-UHFFFAOYSA-N 1 0 319.448 1.252 10 0 DDAERO [NH3+][C@H]1CCOC[C@@H]1[S@](=O)c1cccc(Br)c1 ZINC000081994503 192352162 /nfs/dbraw/zinc/35/21/62/192352162.db2.gz VDGCLDZEIUYXSU-MMPTUQATSA-N 1 0 304.209 1.673 10 0 DDAERO CC(C)n1cc(Cl)cc1C(=O)N1CCN(C2C[NH2+]C2)CC1 ZINC000090307023 185290323 /nfs/dbraw/zinc/29/03/23/185290323.db2.gz BRKLYQZLPJSTLO-UHFFFAOYSA-N 1 0 310.829 1.452 10 0 DDAERO COc1ccc([C@H](C)NS(=O)(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000090310719 185290420 /nfs/dbraw/zinc/29/04/20/185290420.db2.gz VQBPSESJZCCKKC-STQMWFEESA-N 1 0 312.435 1.675 10 0 DDAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1ccc(C)cc1C ZINC000090331701 185291235 /nfs/dbraw/zinc/29/12/35/185291235.db2.gz LGDGEUKKMFFOLF-QLFBSQMISA-N 1 0 308.447 1.922 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1C(=O)c1ccc(Br)cn1 ZINC000090335858 185291630 /nfs/dbraw/zinc/29/16/30/185291630.db2.gz FTORJSHXRNZKDH-ONGXEEELSA-N 1 0 324.222 1.914 10 0 DDAERO CCOc1ccc2nc(NC(=O)[C@H]3COC[C@@H]3[NH3+])sc2c1 ZINC000090378677 185293431 /nfs/dbraw/zinc/29/34/31/185293431.db2.gz IVBVROMOZHRFQY-UWVGGRQHSA-N 1 0 307.375 1.607 10 0 DDAERO CC[C@H]([C@@H]([NH2+]C)c1ccccc1)S(=O)(=O)CCC(=O)OC ZINC000082004537 192353661 /nfs/dbraw/zinc/35/36/61/192353661.db2.gz RRTDETTUWUCCJZ-HIFRSBDPSA-N 1 0 313.419 1.704 10 0 DDAERO C[C@]1(C(=O)Nc2cc(Br)ccc2F)COC[C@@H]1[NH3+] ZINC000090583632 185305038 /nfs/dbraw/zinc/30/50/38/185305038.db2.gz DDIQSQNRVQBJKD-JQWIXIFHSA-N 1 0 317.158 1.891 10 0 DDAERO C[C@]1(C(=O)NCc2ccccc2Br)COC[C@@H]1[NH3+] ZINC000090600054 185305846 /nfs/dbraw/zinc/30/58/46/185305846.db2.gz CZQDVNVEOYLLTE-AAEUAGOBSA-N 1 0 313.195 1.429 10 0 DDAERO CCC[NH2+][C@@H]1COC[C@H]1CN1CCN(c2nccs2)CC1 ZINC000090566004 185304056 /nfs/dbraw/zinc/30/40/56/185304056.db2.gz CFYDGIWUHWXMGS-ZIAGYGMSSA-N 1 0 310.467 1.280 10 0 DDAERO CCc1nc(CS(C)(=O)=O)nc(CC)c1CC[NH2+]C(C)C ZINC000092318803 185312011 /nfs/dbraw/zinc/31/20/11/185312011.db2.gz LLVNWBHPWOLXGV-UHFFFAOYSA-N 1 0 313.467 1.687 10 0 DDAERO Cc1noc(C)c1CNS(=O)(=O)c1cc(C[NH3+])ccc1F ZINC000092344165 185313368 /nfs/dbraw/zinc/31/33/68/185313368.db2.gz AJNGPQMVKONCOX-UHFFFAOYSA-N 1 0 313.354 1.368 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1c(C)n[nH]c1C ZINC000092666111 185332555 /nfs/dbraw/zinc/33/25/55/185332555.db2.gz NPTDTBAEVNEKBP-GFCCVEGCSA-N 1 0 300.428 1.131 10 0 DDAERO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C ZINC000092951471 185350452 /nfs/dbraw/zinc/35/04/52/185350452.db2.gz AEQYIZLKVSGPOF-MWLCHTKSSA-N 1 0 309.797 1.978 10 0 DDAERO Cn1c(CN2CCO[C@H](C[NH+](C)C)C2)nnc1-c1ccccc1 ZINC000155353177 290692303 /nfs/dbraw/zinc/69/23/03/290692303.db2.gz XJVSVNIGTDEOOL-OAHLLOKOSA-N 1 0 315.421 1.245 10 0 DDAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2 ZINC000111265563 185567491 /nfs/dbraw/zinc/56/74/91/185567491.db2.gz HDCIGVBNVQQDGB-SFYZADRCSA-N 1 0 309.753 1.465 10 0 DDAERO CNS(=O)(=O)c1ccc(N[C@@H](C[NH3+])c2ccccc2)cc1 ZINC000111376413 185590290 /nfs/dbraw/zinc/59/02/90/185590290.db2.gz BPDPLWCKNWXVEQ-HNNXBMFYSA-N 1 0 305.403 1.707 10 0 DDAERO CCC[NH2+][C@H](C)[C@@H]1CCCCN1S(=O)(=O)CCCOC ZINC000111715674 185629641 /nfs/dbraw/zinc/62/96/41/185629641.db2.gz PGHCIYMZZXWHFK-KGLIPLIRSA-N 1 0 306.472 1.595 10 0 DDAERO O=S(=O)(c1ccc(F)cc1)N1CCC(C[NH2+]C2CC2)CC1 ZINC000111718988 185630250 /nfs/dbraw/zinc/63/02/50/185630250.db2.gz UOOBSMVZYDCXCE-UHFFFAOYSA-N 1 0 312.410 1.978 10 0 DDAERO CON(C)C(=O)[C@@H]([NH3+])Cc1ccc(O)c(Br)c1 ZINC000675053055 539562462 /nfs/dbraw/zinc/56/24/62/539562462.db2.gz FOBVXGAWFUYJAT-VIFPVBQESA-N 1 0 303.156 1.044 10 0 DDAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@](O)(C(=O)OC(C)(C)C)C1 ZINC000685961850 539568614 /nfs/dbraw/zinc/56/86/14/539568614.db2.gz WXPQSVSZXRILLG-BMIGLBTASA-N 1 0 316.398 1.027 10 0 DDAERO CCCCS(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])CC1 ZINC000725262746 539570587 /nfs/dbraw/zinc/57/05/87/539570587.db2.gz OJBKPTWOXAONEW-ZJUUUORDSA-N 1 0 302.362 1.718 10 0 DDAERO CCCN(C1(C[NH3+])CCCCC1)S(=O)(=O)c1c[nH]cn1 ZINC000070415185 190887237 /nfs/dbraw/zinc/88/72/37/190887237.db2.gz KCCFJTGLYHYAOZ-UHFFFAOYSA-N 1 0 300.428 1.472 10 0 DDAERO CC[NH2+][C@](C)(CSc1ccc(Br)cn1)C(N)=O ZINC000083733143 192378853 /nfs/dbraw/zinc/37/88/53/192378853.db2.gz UIBGPMUUDISZHM-LLVKDONJSA-N 1 0 318.240 1.790 10 0 DDAERO CS(=O)(=O)CCn1cc(CC[NH2+]C2CC2)c2ccccc21 ZINC000083793102 192383579 /nfs/dbraw/zinc/38/35/79/192383579.db2.gz ZZJSUMDTQYRZKJ-UHFFFAOYSA-N 1 0 306.431 1.980 10 0 DDAERO CCN(CC)C(=O)CCCSc1nnc(C[NH3+])n1C1CC1 ZINC000071376165 190963628 /nfs/dbraw/zinc/96/36/28/190963628.db2.gz WMPSAFMQYOXKRC-UHFFFAOYSA-N 1 0 311.455 1.812 10 0 DDAERO Cc1c2c(ccc1Cl)[C@H](C[NH3+])N(CCN1CCOCC1)C2 ZINC000071683570 191007094 /nfs/dbraw/zinc/00/70/94/191007094.db2.gz ISBAKUFSLXEQCW-INIZCTEOSA-N 1 0 309.841 1.796 10 0 DDAERO COc1cc2c(c(OC)c1OC)CN(CC(C)(C)CO)[C@@H]2C[NH3+] ZINC000071684663 191008133 /nfs/dbraw/zinc/00/81/33/191008133.db2.gz HTHSFUSFSHMCNY-CYBMUJFWSA-N 1 0 324.421 1.546 10 0 DDAERO CCCc1nnc(NC(=O)Cc2csc(CC[NH3+])n2)s1 ZINC000071695874 191008265 /nfs/dbraw/zinc/00/82/65/191008265.db2.gz JMWNBUAMOUZQEB-UHFFFAOYSA-N 1 0 311.436 1.630 10 0 DDAERO [NH3+]Cc1ccccc1-c1nc(CC(=O)N2CCOCC2)cs1 ZINC000071685199 191009064 /nfs/dbraw/zinc/00/90/64/191009064.db2.gz JZKPHWBYDVRQEZ-UHFFFAOYSA-N 1 0 317.414 1.670 10 0 DDAERO Cc1cc(N[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc(N)[nH+]1 ZINC000072173693 191069672 /nfs/dbraw/zinc/06/96/72/191069672.db2.gz JTZFJJFJPBNERT-CYBMUJFWSA-N 1 0 315.352 1.719 10 0 DDAERO Cc1cnn(CCNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000141227237 186029027 /nfs/dbraw/zinc/02/90/27/186029027.db2.gz QEPYYKJTYUGPGZ-HUUCEWRRSA-N 1 0 305.426 1.317 10 0 DDAERO COCc1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000171900737 198004230 /nfs/dbraw/zinc/00/42/30/198004230.db2.gz APFWIBGERZLGMV-INIZCTEOSA-N 1 0 303.406 1.823 10 0 DDAERO OC[C@H](NCc1ccccc1)[C@@H](CO)[NH2+]Cc1ccccc1 ZINC000039046737 352298702 /nfs/dbraw/zinc/29/87/02/352298702.db2.gz TXMQWPOKFMKNFY-HDICACEKSA-N 1 0 300.402 1.288 10 0 DDAERO Cn1ncc2c1CCC[C@H]2[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732144 282837955 /nfs/dbraw/zinc/83/79/55/282837955.db2.gz XJOIUAIKJVGGAB-UKRRQHHQSA-N 1 0 312.421 1.846 10 0 DDAERO CC[C@@H]1CN(C(=O)Nc2cccnc2OC)CC[N@@H+]1C[C@@H](C)O ZINC000173272062 198205084 /nfs/dbraw/zinc/20/50/84/198205084.db2.gz YOYXUJIXVHTADH-CHWSQXEVSA-N 1 0 322.409 1.399 10 0 DDAERO C[C@H]1[NH2+]CCC[C@H]1Nc1ncc(I)cn1 ZINC000129533840 354082712 /nfs/dbraw/zinc/08/27/12/354082712.db2.gz QDQXNLRAILWKLV-VXNVDRBHSA-N 1 0 318.162 1.634 10 0 DDAERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ncc(I)cn1 ZINC000129534280 354083295 /nfs/dbraw/zinc/08/32/95/354083295.db2.gz QDQXNLRAILWKLV-APPZFPTMSA-N 1 0 318.162 1.634 10 0 DDAERO Cc1ccc(C[C@@H](C)NC(=O)C(C)(C)N2CC[NH2+]CC2)s1 ZINC000129762977 354085695 /nfs/dbraw/zinc/08/56/95/354085695.db2.gz OJUDYVSYRULVCV-GFCCVEGCSA-N 1 0 309.479 1.788 10 0 DDAERO Cc1cc(C)nc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000248718450 354370615 /nfs/dbraw/zinc/37/06/15/354370615.db2.gz COCNSQDSCJOWRF-TZMCWYRMSA-N 1 0 318.421 1.482 10 0 DDAERO COc1ccc([C@H]2OCC[C@@H]2[NH2+]Cc2cnn(C)c2C)cn1 ZINC000284375783 354429963 /nfs/dbraw/zinc/42/99/63/354429963.db2.gz ADDGITGIHGCORL-GOEBONIOSA-N 1 0 302.378 1.752 10 0 DDAERO COC(=O)COc1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1Cl ZINC000182644591 199470338 /nfs/dbraw/zinc/47/03/38/199470338.db2.gz FJWILYOZXIAQAN-LLVKDONJSA-N 1 0 312.753 1.582 10 0 DDAERO Cc1cc(=O)[nH]cc1C(=O)N1CCO[C@H](C[N@H+](C)CC2CC2)C1 ZINC000328636253 354555153 /nfs/dbraw/zinc/55/51/53/354555153.db2.gz NYXOQLSTJBLIEN-CQSZACIVSA-N 1 0 319.405 1.278 10 0 DDAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@H]2CCCOC2)CC(=O)N1C ZINC000328656027 354560322 /nfs/dbraw/zinc/56/03/22/354560322.db2.gz YZUCWFCEUZNPHG-WOSRLPQWSA-N 1 0 306.410 1.077 10 0 DDAERO CCC[C@@H]([NH3+])C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000236809290 202020396 /nfs/dbraw/zinc/02/03/96/202020396.db2.gz FWROAGFFYWHORT-CQSZACIVSA-N 1 0 305.378 1.225 10 0 DDAERO CC1(C)Oc2ccc(N)nc2N(CC[C@H]2CCCC[NH2+]2)C1=O ZINC000075259202 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CNOQVUNCCSEQMJ-IUCAKERBSA-N 1 0 304.741 1.158 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(C)CC(C)(C)O)cc1 ZINC000092984493 193191121 /nfs/dbraw/zinc/19/11/21/193191121.db2.gz FSSJJIDANYRSAD-UHFFFAOYSA-N 1 0 300.424 1.188 10 0 DDAERO CCN(CC(C)(C)O)S(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000092984461 193191937 /nfs/dbraw/zinc/19/19/37/193191937.db2.gz IDGOUTKSWMPDIH-NSHDSACASA-N 1 0 300.424 1.488 10 0 DDAERO Cc1nc(C)c(CNC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)s1 ZINC000262319004 203259873 /nfs/dbraw/zinc/25/98/73/203259873.db2.gz RDHGVGYBYLIBCR-OLZOCXBDSA-N 1 0 319.434 1.113 10 0 DDAERO O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000262507196 203313681 /nfs/dbraw/zinc/31/36/81/203313681.db2.gz JGIWWBCFWQARQP-IKGGRYGDSA-N 1 0 318.417 1.480 10 0 DDAERO COc1ccc(Br)c(C[C@H]([NH3+])C(OC)OC)c1 ZINC000093304763 193227960 /nfs/dbraw/zinc/22/79/60/193227960.db2.gz RTTQSGLLHJGGHI-NSHDSACASA-N 1 0 304.184 1.946 10 0 DDAERO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccnc(OC2CCOCC2)c1 ZINC000262693103 203383422 /nfs/dbraw/zinc/38/34/22/203383422.db2.gz BNIASGYFFDWHKO-LRDDRELGSA-N 1 0 321.421 1.629 10 0 DDAERO COc1cc([C@@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)ccc1O ZINC000093523078 193262692 /nfs/dbraw/zinc/26/26/92/193262692.db2.gz UYAPVZLKAGLFGP-SNVBAGLBSA-N 1 0 301.408 1.875 10 0 DDAERO CCN(CC)c1ncc(C[NH2+]CC(C)(C)S(C)(=O)=O)s1 ZINC000093520563 193263311 /nfs/dbraw/zinc/26/33/11/193263311.db2.gz ZHWNLFVNNKOHMJ-UHFFFAOYSA-N 1 0 319.496 1.902 10 0 DDAERO CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCSc1nncn1C ZINC000093629237 193276814 /nfs/dbraw/zinc/27/68/14/193276814.db2.gz HSDFRAIFNBQUNT-RISCZKNCSA-N 1 0 311.455 1.320 10 0 DDAERO CC[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCSc1cc(C)nn1C ZINC000093630324 193277151 /nfs/dbraw/zinc/27/71/51/193277151.db2.gz WXEOFWQQCCDTDN-IUODEOHRSA-N 1 0 310.467 1.844 10 0 DDAERO C[C@H](Cc1ccco1)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696448 193291605 /nfs/dbraw/zinc/29/16/05/193291605.db2.gz WJWFWUJGJLCACX-OLZOCXBDSA-N 1 0 300.424 1.472 10 0 DDAERO CS(=O)(=O)N1CCC[C@@H](C[NH2+]CCc2ccc(F)cc2)C1 ZINC000093696080 193291659 /nfs/dbraw/zinc/29/16/59/193291659.db2.gz KSJQSLZBWGYNTH-AWEZNQCLSA-N 1 0 314.426 1.629 10 0 DDAERO CC[NH2+][C@@H](C)c1ccn(C[C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000093698569 193292536 /nfs/dbraw/zinc/29/25/36/193292536.db2.gz MSANKNIVVXOPAJ-KBPBESRZSA-N 1 0 313.467 1.830 10 0 DDAERO CC[NH2+][C@@H](C)c1ccn(C[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000093698571 193292608 /nfs/dbraw/zinc/29/26/08/193292608.db2.gz MSANKNIVVXOPAJ-UONOGXRCSA-N 1 0 313.467 1.830 10 0 DDAERO CS(=O)(=O)N1CCC[C@H](C[NH2+]CC2(O)CCCCCC2)C1 ZINC000093697099 193292932 /nfs/dbraw/zinc/29/29/32/193292932.db2.gz WOKOBDXKFOIDQQ-CQSZACIVSA-N 1 0 318.483 1.333 10 0 DDAERO CC(C)CSC[C@@H]([NH3+])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700478 193294063 /nfs/dbraw/zinc/29/40/63/193294063.db2.gz QIBWYASHAJRGFJ-STQMWFEESA-N 1 0 308.513 1.765 10 0 DDAERO CS(=O)(=O)N1CCC[C@@H](C[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000093701660 193294720 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CC1(C)C([NH3+])C(C)(C)C1NS(=O)(=O)CCc1ccccc1 ZINC000094006514 193338125 /nfs/dbraw/zinc/33/81/25/193338125.db2.gz FTVXUAJNNOHHKW-UHFFFAOYSA-N 1 0 310.463 1.910 10 0 DDAERO CC[NH2+][C@]1(C(N)=O)CC[C@H](n2cc(Br)cn2)C1 ZINC000093833127 193314623 /nfs/dbraw/zinc/31/46/23/193314623.db2.gz HOSWVGFNGWHBDI-GXSJLCMTSA-N 1 0 301.188 1.204 10 0 DDAERO C[C@@H]1C[C@H](C)CN(S(=O)(=O)NC2C(C)(C)C([NH3+])C2(C)C)C1 ZINC000094006543 193338707 /nfs/dbraw/zinc/33/87/07/193338707.db2.gz SVOHWBLFRJGIGB-MPEURRAXSA-N 1 0 317.499 1.561 10 0 DDAERO COC(=O)[C@]1([NH3+])CC[C@@H](Sc2nnc3n2CCCCC3)C1 ZINC000093850547 193317062 /nfs/dbraw/zinc/31/70/62/193317062.db2.gz MEQZVOPEJCJCTM-YGRLFVJLSA-N 1 0 310.423 1.520 10 0 DDAERO CC[NH2+][C@]1(C(N)=O)CC[C@@H](Sc2nnc3ccccn32)C1 ZINC000093852815 193319058 /nfs/dbraw/zinc/31/90/58/193319058.db2.gz TZPIHPBHYXNJMT-QMTHXVAHSA-N 1 0 305.407 1.208 10 0 DDAERO C[NH2+][C@]1(CO)CC[C@H](Sc2ccc(S(C)(=O)=O)cc2)C1 ZINC000093860119 193319491 /nfs/dbraw/zinc/31/94/91/193319491.db2.gz 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CCOCCCN(CC(F)(F)F)C(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000040635695 183112400 /nfs/dbraw/zinc/11/24/00/183112400.db2.gz KQWOCBLTBBJDKG-GHMZBOCLSA-N 1 0 312.332 1.181 10 0 DDAERO C[N@@H+]1CCC[C@@H](Nc2ccccc2S(=O)(=O)NC2CC2)C1 ZINC000040673426 183116291 /nfs/dbraw/zinc/11/62/91/183116291.db2.gz BVCLILCHYGMHEL-CYBMUJFWSA-N 1 0 309.435 1.633 10 0 DDAERO Cc1n[nH]c(C)c1S(=O)(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040624718 183110457 /nfs/dbraw/zinc/11/04/57/183110457.db2.gz MCCLZIZCIOXDNR-LBPRGKRZSA-N 1 0 300.428 1.035 10 0 DDAERO CC[C@H](C)N(Cc1ccccc1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000040861782 183143789 /nfs/dbraw/zinc/14/37/89/183143789.db2.gz HOZSOLPBGCVGRD-AWEZNQCLSA-N 1 0 311.451 1.437 10 0 DDAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2cccc(Br)c2)C1 ZINC000042419079 183267288 /nfs/dbraw/zinc/26/72/88/183267288.db2.gz PPGMOOZBHHGPON-VXGBXAGGSA-N 1 0 313.195 1.442 10 0 DDAERO CO[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000042477469 183274619 /nfs/dbraw/zinc/27/46/19/183274619.db2.gz 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CC[NH2+]C[C@@H](Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000052950750 183881473 /nfs/dbraw/zinc/88/14/73/183881473.db2.gz UILOYDRJEBNOQJ-LSDHHAIUSA-N 1 0 311.447 1.898 10 0 DDAERO NC(=S)c1cccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000110272727 194319219 /nfs/dbraw/zinc/31/92/19/194319219.db2.gz ATHIFCWMQBAUTQ-AWEZNQCLSA-N 1 0 303.431 1.631 10 0 DDAERO C[C@@H]1Cc2ccccc2N(S(=O)(=O)N2CCC[NH2+]CC2)C1 ZINC000110375790 194326521 /nfs/dbraw/zinc/32/65/21/194326521.db2.gz LOIBNAIXTCCMKE-CYBMUJFWSA-N 1 0 309.435 1.225 10 0 DDAERO C[C@@H]([NH3+])C1CCN(C(=O)c2cc(Br)cn2C)CC1 ZINC000110646774 194346039 /nfs/dbraw/zinc/34/60/39/194346039.db2.gz VOHKZDBRWDEOBQ-SECBINFHSA-N 1 0 314.227 1.987 10 0 DDAERO CN(c1ccc(S(=O)(=O)NC2CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000110932550 194371279 /nfs/dbraw/zinc/37/12/79/194371279.db2.gz AGAGZOBDRNJUCU-AWEZNQCLSA-N 1 0 309.435 1.316 10 0 DDAERO CCCN(Cc1cc(=O)n2ccsc2n1)[C@H]1CCC[NH2+]C1 ZINC000110946024 194373492 /nfs/dbraw/zinc/37/34/92/194373492.db2.gz JYZSFRRPAWDVOA-ZDUSSCGKSA-N 1 0 306.435 1.720 10 0 DDAERO O=S1(=O)C[C@H]([C@]2(C[NH2+]C3CC3)CCOC2)c2ccccc21 ZINC000054665284 183947944 /nfs/dbraw/zinc/94/79/44/183947944.db2.gz JULQRUGCZJBGGB-HOCLYGCPSA-N 1 0 307.415 1.716 10 0 DDAERO C[C@@H](Cc1ccccc1Cl)NC(=O)CN1CCC[NH2+]CC1 ZINC000061270289 184167314 /nfs/dbraw/zinc/16/73/14/184167314.db2.gz MOGSDXGZSGOPGR-ZDUSSCGKSA-N 1 0 309.841 1.683 10 0 DDAERO CN(c1nc(Cl)nc(N2CCCC2)n1)[C@H]1CCC[N@H+](C)C1 ZINC000061542614 184174277 /nfs/dbraw/zinc/17/42/77/184174277.db2.gz IJHTVTMMVOOFHS-NSHDSACASA-N 1 0 310.833 1.656 10 0 DDAERO CCCn1c(Sc2nc(C)cc(C)c2C(N)=[NH2+])n[nH]c1=O ZINC000061595660 184176440 /nfs/dbraw/zinc/17/64/40/184176440.db2.gz KCUDTNCJANOSGG-UHFFFAOYSA-N 1 0 306.395 1.429 10 0 DDAERO COCCN(C(=O)[C@@H](C[NH3+])c1ccccc1)[C@@H]1CCSC1 ZINC000061612045 184178678 /nfs/dbraw/zinc/17/86/78/184178678.db2.gz CHDOVOVFKSQZMR-CABCVRRESA-N 1 0 308.447 1.709 10 0 DDAERO NC(=S)[C@@H](C(=O)NCC[NH+]1CCCCC1)c1ccccc1 ZINC000061616513 184178718 /nfs/dbraw/zinc/17/87/18/184178718.db2.gz FVNULVCXGDCSTD-AWEZNQCLSA-N 1 0 305.447 1.658 10 0 DDAERO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1ccnc(Cl)c1 ZINC000061644690 184180139 /nfs/dbraw/zinc/18/01/39/184180139.db2.gz RMJYXGQONSMZKF-SNVBAGLBSA-N 1 0 303.815 1.450 10 0 DDAERO [NH3+]Cc1ccccc1CNS(=O)(=O)c1cc(F)ccc1F ZINC000061841352 184189539 /nfs/dbraw/zinc/18/95/39/184189539.db2.gz SDLBSGDGSMQJEK-UHFFFAOYSA-N 1 0 312.341 1.902 10 0 DDAERO NC(=[NH2+])c1ccc(CN2CCN(CC(F)(F)F)CC2)cc1 ZINC000061941505 184197513 /nfs/dbraw/zinc/19/75/13/184197513.db2.gz QNHAEYWOCOTEDK-UHFFFAOYSA-N 1 0 300.328 1.651 10 0 DDAERO Nc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCNC(=O)CC1 ZINC000062099705 184205969 /nfs/dbraw/zinc/20/59/69/184205969.db2.gz CNKCTCFBDMXJKX-UHFFFAOYSA-N 1 0 310.785 1.073 10 0 DDAERO CS(=O)(=O)Nc1ccc(NC(=O)[C@H]2CC[NH2+]C2)cc1Cl ZINC000062113982 184206481 /nfs/dbraw/zinc/20/64/81/184206481.db2.gz SUKGSBRMWIIUNV-QMMMGPOBSA-N 1 0 317.798 1.260 10 0 DDAERO CCCn1cc(S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])nc1C ZINC000061884148 184192045 /nfs/dbraw/zinc/19/20/45/184192045.db2.gz BNTCMMXBWXUSHC-NEPJUHHUSA-N 1 0 300.428 1.007 10 0 DDAERO COC(=O)c1c2c(sc1NC(=O)c1cscn1)C[NH2+]CC2 ZINC000062358547 184232834 /nfs/dbraw/zinc/23/28/34/184232834.db2.gz ULTDCJVFDHXEAX-UHFFFAOYSA-N 1 0 323.399 1.889 10 0 DDAERO CCS(=O)(=O)CCOc1ccc(C[NH2+]CCOC)cc1 ZINC000062729069 184250495 /nfs/dbraw/zinc/25/04/95/184250495.db2.gz UAAIRAXMDWBNOT-UHFFFAOYSA-N 1 0 301.408 1.236 10 0 DDAERO CCOc1ccc2[nH]c(SCC[C@@H]([NH2+]C)C(N)=O)nc2c1 ZINC000062597948 184245026 /nfs/dbraw/zinc/24/50/26/184245026.db2.gz YNNNTDDPSGNPOS-LLVKDONJSA-N 1 0 308.407 1.517 10 0 DDAERO O=S(=O)(C[C@@H]1CCC[NH2+]1)Nc1ccc(N2CCCC2)cc1 ZINC000062996930 184264895 /nfs/dbraw/zinc/26/48/95/184264895.db2.gz PYELVIHSTGHLTE-AWEZNQCLSA-N 1 0 309.435 1.781 10 0 DDAERO [NH3+]CCCN1CCN(C(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000063003854 184266160 /nfs/dbraw/zinc/26/61/60/184266160.db2.gz VQOSKBNVQUGQEV-UHFFFAOYSA-N 1 0 301.312 1.211 10 0 DDAERO CCOc1cc(C[C@@H](C)[NH3+])ccc1OCCCS(C)(=O)=O ZINC000063017551 184266792 /nfs/dbraw/zinc/26/67/92/184266792.db2.gz JSGPWBNIOZIJQM-GFCCVEGCSA-N 1 0 315.435 1.789 10 0 DDAERO CNc1cc(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)ccn1 ZINC000063125755 184271557 /nfs/dbraw/zinc/27/15/57/184271557.db2.gz YZCXMQHCVYHKOS-UHFFFAOYSA-N 1 0 312.439 1.086 10 0 DDAERO CCCN(c1ccc(C[NH3+])cc1)S(=O)(=O)C[C@H]1CCCO1 ZINC000063154895 184274420 /nfs/dbraw/zinc/27/44/20/184274420.db2.gz ZQFXUNDQSDHGSI-OAHLLOKOSA-N 1 0 312.435 1.871 10 0 DDAERO [NH3+][C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(Br)c1 ZINC000063174892 184276191 /nfs/dbraw/zinc/27/61/91/184276191.db2.gz GIGISWNCOXZSMN-QWRGUYRKSA-N 1 0 319.224 1.607 10 0 DDAERO Cc1cc(S(=O)(=O)NCC[C@@H](C)[NH3+])ccc1Br ZINC000063170940 184276232 /nfs/dbraw/zinc/27/62/32/184276232.db2.gz AMQCBBKNLQJMBX-SECBINFHSA-N 1 0 321.240 1.773 10 0 DDAERO [NH3+][C@@H]1CCC[C@H]1N1C(=O)c2ccc(Br)cc2C1=O ZINC000063178170 184276628 /nfs/dbraw/zinc/27/66/28/184276628.db2.gz OKUWKVRMDKNTOY-GHMZBOCLSA-N 1 0 309.163 1.925 10 0 DDAERO C[C@H](Cc1cnccn1)NC(=O)C1([NH+]2CCCC2)CCCC1 ZINC000065508657 184356901 /nfs/dbraw/zinc/35/69/01/184356901.db2.gz CWOXVDUGEZKYNH-CQSZACIVSA-N 1 0 302.422 1.932 10 0 DDAERO O=S1(=O)CCC[C@@H]([NH2+]Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000069142601 184501267 /nfs/dbraw/zinc/50/12/67/184501267.db2.gz FSUXJRZVMNPUQX-SNVBAGLBSA-N 1 0 317.794 1.736 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1ccc(C(N)=O)cc1 ZINC000119813420 195041833 /nfs/dbraw/zinc/04/18/33/195041833.db2.gz PPCBBZRLVLHNRN-OAHLLOKOSA-N 1 0 320.437 1.561 10 0 DDAERO CC(C)C(=O)NCC[N@H+](C)C[C@H](O)COCc1ccccc1 ZINC000157347490 197180611 /nfs/dbraw/zinc/18/06/11/197180611.db2.gz JUKLWMQBJWEBMZ-INIZCTEOSA-N 1 0 308.422 1.268 10 0 DDAERO Cn1cc(C[C@@H]2[C@H](OCC3CC3)CC[N@@H+]2[C@@H]2CCOC2)cn1 ZINC000248130640 257108468 /nfs/dbraw/zinc/10/84/68/257108468.db2.gz NDVUXHLCMDHYLD-BRWVUGGUSA-N 1 0 305.422 1.621 10 0 DDAERO C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@@H](CCN2C(=O)c2ccco2)O1 ZINC000248021867 257111531 /nfs/dbraw/zinc/11/15/31/257111531.db2.gz RNQQUDFBPIGDFP-RRFJBIMHSA-N 1 0 322.405 1.620 10 0 DDAERO CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3ccsc3)C[C@H]2[N@@H+]1C(C)C ZINC000247981140 257113268 /nfs/dbraw/zinc/11/32/68/257113268.db2.gz HGZWHQYLEADZTA-MELADBBJSA-N 1 0 321.446 1.417 10 0 DDAERO Cn1cc(C[N@@H+]2CC[C@@H]3O[C@H](COCC4CC4)CC[C@@H]32)cn1 ZINC000096186086 257133655 /nfs/dbraw/zinc/13/36/55/257133655.db2.gz FHGGPJVKIBCORM-ULQDDVLXSA-N 1 0 305.422 1.969 10 0 DDAERO O=C([C@@H]1COC[C@@H]2C[N@H+](CC3CCCC3)C[C@@H]21)N1CCOCC1 ZINC000247796736 257117308 /nfs/dbraw/zinc/11/73/08/257117308.db2.gz RWYZIUMIDGELAJ-YESZJQIVSA-N 1 0 322.449 1.230 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)Nc1ccc(Cl)c(Cl)c1 ZINC000414663012 224369403 /nfs/dbraw/zinc/36/94/03/224369403.db2.gz RUMMTJQUORIWRL-WRWORJQWSA-N 1 0 304.177 1.695 10 0 DDAERO COC[C@H]([NH3+])C(=O)N(C)Cc1cc(Br)cs1 ZINC000088003272 130049770 /nfs/dbraw/zinc/04/97/70/130049770.db2.gz PIUMDQHUOHVPIH-VIFPVBQESA-N 1 0 307.213 1.443 10 0 DDAERO CCOC(=O)CCN(C)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000171613929 285704051 /nfs/dbraw/zinc/70/40/51/285704051.db2.gz KRSCJJWDPDNWLL-OAHLLOKOSA-N 1 0 306.406 1.571 10 0 DDAERO COCCC[N@H+](C)CCNC(=O)[C@H](C)c1ccc(OC)cc1 ZINC000152492442 292338349 /nfs/dbraw/zinc/33/83/49/292338349.db2.gz BWRLUCWJXRAOPX-CQSZACIVSA-N 1 0 308.422 1.883 10 0 DDAERO COC(=O)c1sc(N(C)C[C@H]2CC[N@H+](C)C2)nc1Cl ZINC000071192656 406833748 /nfs/dbraw/zinc/83/37/48/406833748.db2.gz LHULEGKGSKDSTF-QMMMGPOBSA-N 1 0 303.815 1.971 10 0 DDAERO O[C@@]1(CNCc2nc(-c3ccccc3F)no2)CCC[NH2+]C1 ZINC000072407516 406882121 /nfs/dbraw/zinc/88/21/21/406882121.db2.gz LBWMOBZTZMYFCP-HNNXBMFYSA-N 1 0 306.341 1.080 10 0 DDAERO O=C1COC2(CC[NH+]([C@H]3CCc4ccccc4C3)CC2)CN1 ZINC000027990904 406915252 /nfs/dbraw/zinc/91/52/52/406915252.db2.gz DTPAHFIZUZWUBR-INIZCTEOSA-N 1 0 300.402 1.525 10 0 DDAERO CC[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc3c(c2)CCN3)C1 ZINC000037645106 406993071 /nfs/dbraw/zinc/99/30/71/406993071.db2.gz WSKYZSWXOMUTGZ-LBPRGKRZSA-N 1 0 309.435 1.275 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCOC[C@H]1CCCO1 ZINC000077729492 407004275 /nfs/dbraw/zinc/00/42/75/407004275.db2.gz YVPDGVNITAHEAF-HUUCEWRRSA-N 1 0 300.443 1.665 10 0 DDAERO OCCO[C@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000084963707 407096025 /nfs/dbraw/zinc/09/60/25/407096025.db2.gz UREOSUQGSLGKRS-IRXDYDNUSA-N 1 0 309.406 1.037 10 0 DDAERO CCOC(=O)c1cnc2ccc(F)cc2c1N1CC[NH2+]CC1 ZINC000053994913 407176728 /nfs/dbraw/zinc/17/67/28/407176728.db2.gz WIEYBBHLYLDDKM-UHFFFAOYSA-N 1 0 303.337 1.960 10 0 DDAERO C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)N1CCOCC1 ZINC000123550578 407332264 /nfs/dbraw/zinc/33/22/64/407332264.db2.gz MFJUXKNMDQCZJZ-KBPBESRZSA-N 1 0 316.409 1.034 10 0 DDAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)NC[C@H]1CCCS1 ZINC000126701853 407419966 /nfs/dbraw/zinc/41/99/66/407419966.db2.gz XGFFJFKQPCWLIJ-QWHCGFSZSA-N 1 0 301.456 1.028 10 0 DDAERO Cc1ccsc1CNC(=O)CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113269591 407485916 /nfs/dbraw/zinc/48/59/16/407485916.db2.gz PETPFISFUSAIEZ-UONOGXRCSA-N 1 0 307.463 1.841 10 0 DDAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1nncn1C1CC1 ZINC000112905693 407445852 /nfs/dbraw/zinc/44/58/52/407445852.db2.gz YNEGVLKJCMHTJW-HNNXBMFYSA-N 1 0 313.405 1.402 10 0 DDAERO Cc1ccccc1-c1cc(NC(=O)C2([NH3+])CCOCC2)n(C)n1 ZINC000261662815 407571928 /nfs/dbraw/zinc/57/19/28/407571928.db2.gz BIDSEVKMQJYKKC-UHFFFAOYSA-N 1 0 314.389 1.842 10 0 DDAERO CC(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000114562627 407590053 /nfs/dbraw/zinc/59/00/53/407590053.db2.gz VFVOTNBJFWPBKZ-QZTJIDSGSA-N 1 0 320.433 1.412 10 0 DDAERO Cn1c(CNC(=O)N2CC[C@H]([NH+](C)C)C2)nc2ccccc21 ZINC000170826709 407518104 /nfs/dbraw/zinc/51/81/04/407518104.db2.gz DKRJGPQLGAGROI-LBPRGKRZSA-N 1 0 301.394 1.419 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCC(=O)Nc2ccccc2)C1 ZINC000113600737 407520050 /nfs/dbraw/zinc/52/00/50/407520050.db2.gz ZGUMFIQHORXWMG-OAHLLOKOSA-N 1 0 318.421 1.799 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)Cc2csc(-c3cccnc3)n2)C1 ZINC000170858206 407531730 /nfs/dbraw/zinc/53/17/30/407531730.db2.gz HUISFFQJIWIQSJ-CQSZACIVSA-N 1 0 316.430 1.910 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)C1 ZINC000170866509 407537120 /nfs/dbraw/zinc/53/71/20/407537120.db2.gz DUPMJBIVNVUTBK-HIFRSBDPSA-N 1 0 305.353 1.481 10 0 DDAERO [NH3+][C@@H](C(=O)NCc1ccccc1OC1CCC1)C1CCOCC1 ZINC000261753922 407601902 /nfs/dbraw/zinc/60/19/02/407601902.db2.gz LHPYTZXNHWIYAO-QGZVFWFLSA-N 1 0 318.417 1.988 10 0 DDAERO C[C@@](O)(C[NH+]1CCC(Cn2cncn2)CC1)c1ccccc1 ZINC000186223009 407610417 /nfs/dbraw/zinc/61/04/17/407610417.db2.gz CSFLWIURNGFBJX-QGZVFWFLSA-N 1 0 300.406 1.898 10 0 DDAERO COCCOCC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000227658424 407635834 /nfs/dbraw/zinc/63/58/34/407635834.db2.gz APTDVNHXWLSPDZ-AWEZNQCLSA-N 1 0 316.442 1.886 10 0 DDAERO COc1ccc(C[C@@H](C)NC(=O)C2([NH3+])CCOCC2)cc1OC ZINC000261857700 407645236 /nfs/dbraw/zinc/64/52/36/407645236.db2.gz MYQASKIVGCYGDW-GFCCVEGCSA-N 1 0 322.405 1.259 10 0 DDAERO C[C@H]1CCN(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1 ZINC000261860828 407645478 /nfs/dbraw/zinc/64/54/78/407645478.db2.gz RELSOBDAHBMVEW-IMJJTQAJSA-N 1 0 323.462 1.247 10 0 DDAERO COC(=O)[C@@]1(C)CCC[N@@H+]1CCC(=O)N1CCc2ccccc21 ZINC000186347391 407645855 /nfs/dbraw/zinc/64/58/55/407645855.db2.gz RXQQXAGWIDBCHX-GOSISDBHSA-N 1 0 316.401 1.993 10 0 DDAERO C[C@@H]([NH3+])CCNS(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000178913425 407652758 /nfs/dbraw/zinc/65/27/58/407652758.db2.gz TULXMKNIVWLFRT-SECBINFHSA-N 1 0 310.341 1.862 10 0 DDAERO C[C@]1(CN2CCN(c3nc4ccccc4o3)CC2)CC[NH2+]C1 ZINC000261936460 407678005 /nfs/dbraw/zinc/67/80/05/407678005.db2.gz DIMWTWJLDUNEST-KRWDZBQOSA-N 1 0 300.406 1.949 10 0 DDAERO c1c(CN[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)nc2ccccn12 ZINC000261953354 407688500 /nfs/dbraw/zinc/68/85/00/407688500.db2.gz OQGNYXRRXOYQBR-BZUAXINKSA-N 1 0 300.406 1.581 10 0 DDAERO C[C@H]1CN(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C[C@H]1[NH3+] ZINC000261962742 407690875 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CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCn1cc(C)cn1 ZINC000118077896 407884716 /nfs/dbraw/zinc/88/47/16/407884716.db2.gz VDOZOESXQBHJSS-HNNXBMFYSA-N 1 0 307.442 1.755 10 0 DDAERO CC(C)(C)OC(=O)NCC1([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000238133791 407894142 /nfs/dbraw/zinc/89/41/42/407894142.db2.gz DWYGECNFNSFPEE-UHFFFAOYSA-N 1 0 301.387 1.459 10 0 DDAERO CC(C)OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000153768925 407897608 /nfs/dbraw/zinc/89/76/08/407897608.db2.gz ANVNPFDBEMDVCV-JSGCOSHPSA-N 1 0 315.435 1.527 10 0 DDAERO CC[C@@H]1CN(C(=O)Cc2ccc(C)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000174627835 407970498 /nfs/dbraw/zinc/97/04/98/407970498.db2.gz AIFWNMVPFHMLOK-NVXWUHKLSA-N 1 0 304.434 1.841 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)c1cc(N2CCC[C@H]2CO)ncn1 ZINC000245423689 407973612 /nfs/dbraw/zinc/97/36/12/407973612.db2.gz REEJYXGHEVUAIJ-GJZGRUSLSA-N 1 0 319.453 1.358 10 0 DDAERO CC[C@H]1CN(C(=O)CCc2cnn(C)c2C)CC[N@@H+]1CCOC ZINC000135102430 407973869 /nfs/dbraw/zinc/97/38/69/407973869.db2.gz 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DDAERO Cc1noc2nc(C)cc(-c3nc([C@H]4C[NH2+]CCN4C)no3)c12 ZINC000263218259 408060679 /nfs/dbraw/zinc/06/06/79/408060679.db2.gz LGOXGKRZKFTIDM-LLVKDONJSA-N 1 0 314.349 1.466 10 0 DDAERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccccc2Cn2cccn2)n1 ZINC000263221005 408061582 /nfs/dbraw/zinc/06/15/82/408061582.db2.gz LWRQRZRXNRAOTK-HNNXBMFYSA-N 1 0 324.388 1.558 10 0 DDAERO CCCn1c(C)nnc1CN1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000245805465 408071814 /nfs/dbraw/zinc/07/18/14/408071814.db2.gz PVVMLHIZCBZVEV-HNNXBMFYSA-N 1 0 309.458 1.539 10 0 DDAERO C[C@@H]1CC[N@H+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)C[C@H]1C ZINC000245840452 408074682 /nfs/dbraw/zinc/07/46/82/408074682.db2.gz BGRBXDNYYAZACA-MCIONIFRSA-N 1 0 316.401 1.621 10 0 DDAERO CCOc1cc(CNC[C@@H]2C[NH2+]C[C@H]2O)ccc1OCC(C)C ZINC000263253690 408076906 /nfs/dbraw/zinc/07/69/06/408076906.db2.gz QGJKGFRQJGQIIA-HZPDHXFCSA-N 1 0 322.449 1.790 10 0 DDAERO CCOC(=O)[C@H](CC(C)C)N1CC[NH+](C[C@H](O)CC)CC1 ZINC000182195378 408089551 /nfs/dbraw/zinc/08/95/51/408089551.db2.gz 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ZINC000175341947 408109701 /nfs/dbraw/zinc/10/97/01/408109701.db2.gz GDEUFEJBSRSSIP-OAHLLOKOSA-N 1 0 300.410 1.578 10 0 DDAERO Cc1cccc(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c1F ZINC000273218996 408111242 /nfs/dbraw/zinc/11/12/42/408111242.db2.gz QHIREFDEJCRMMQ-NEPJUHHUSA-N 1 0 300.399 1.705 10 0 DDAERO CC(=O)N1CC[C@H](CN(C)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)C1 ZINC000246256414 408194401 /nfs/dbraw/zinc/19/44/01/408194401.db2.gz GYAULBGKDKEGAE-IMJJTQAJSA-N 1 0 324.469 1.225 10 0 DDAERO O[C@H](CCc1ccccc1)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000182414371 408149382 /nfs/dbraw/zinc/14/93/82/408149382.db2.gz HTXCPKDTXXNCFI-ZWKOTPCHSA-N 1 0 304.434 1.387 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(Cl)nc1 ZINC000190109124 408169039 /nfs/dbraw/zinc/16/90/39/408169039.db2.gz ZQODGNOEBRKBHZ-CMPLNLGQSA-N 1 0 322.796 1.369 10 0 DDAERO Cc1ccccc1C(=O)NCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000155531099 408176454 /nfs/dbraw/zinc/17/64/54/408176454.db2.gz MVDOLQIBZOFDJE-HOCLYGCPSA-N 1 0 317.433 1.570 10 0 DDAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cccc(O)c2)CC1 ZINC000182549352 408189921 /nfs/dbraw/zinc/18/99/21/408189921.db2.gz OVLBLUUMCUNPGJ-ZDUSSCGKSA-N 1 0 306.406 1.557 10 0 DDAERO Cc1cccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000150805332 408202313 /nfs/dbraw/zinc/20/23/13/408202313.db2.gz VUBUVQDHEILGFI-DZGCQCFKSA-N 1 0 303.406 1.778 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(F)nc1 ZINC000190356969 408227714 /nfs/dbraw/zinc/22/77/14/408227714.db2.gz YXWDWQKTYVZTPL-CHWSQXEVSA-N 1 0 320.368 1.244 10 0 DDAERO CCN(CC(=O)OC(C)(C)C)C1CC[NH+](CCCO)CC1 ZINC000190356733 408228929 /nfs/dbraw/zinc/22/89/29/408228929.db2.gz DZIJVCZTXGJCHI-UHFFFAOYSA-N 1 0 300.443 1.497 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2cccc(F)c2F)C1 ZINC000246695153 408317482 /nfs/dbraw/zinc/31/74/82/408317482.db2.gz YZUWZZZFEUCRCV-ZYHUDNBSSA-N 1 0 318.389 1.972 10 0 DDAERO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCCO2)c1 ZINC000183095244 408324064 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CCc1nccn1[C@@H]1CCCN(C(=O)c2ccc(C[NH3+])o2)C1 ZINC000168336632 484090220 /nfs/dbraw/zinc/09/02/20/484090220.db2.gz OZOOVJNJVVXTLS-GFCCVEGCSA-N 1 0 302.378 1.975 10 0 DDAERO CCc1noc([C@H](C)N2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1 ZINC000245628676 484215053 /nfs/dbraw/zinc/21/50/53/484215053.db2.gz PLYIPIAQJFUOKR-BFHYXJOUSA-N 1 0 308.426 1.614 10 0 DDAERO O=S1(=O)CC[C@H](CC[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)C1 ZINC000677692960 486525146 /nfs/dbraw/zinc/52/51/46/486525146.db2.gz LRYLZSNIAOXNTQ-RRFJBIMHSA-N 1 0 301.452 1.438 10 0 DDAERO CC(C)CCn1ccc(NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)n1 ZINC000158417032 519702868 /nfs/dbraw/zinc/70/28/68/519702868.db2.gz AEEIQOWUJIELQM-ZDUSSCGKSA-N 1 0 321.425 1.030 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](O)c2cccc(OC)c2)C1 ZINC000111836792 696646159 /nfs/dbraw/zinc/64/61/59/696646159.db2.gz UIYNUGFZAOROPM-HOCLYGCPSA-N 1 0 321.421 1.512 10 0 DDAERO CCOc1nn(CN2CC[N@@H+]3CCC[C@@H]3C2)c(=S)s1 ZINC000172502270 697368384 /nfs/dbraw/zinc/36/83/84/697368384.db2.gz YHVPIGWUWAQSGX-SNVBAGLBSA-N 1 0 300.453 1.810 10 0 DDAERO C[NH+](C)C[C@H]1CN(Cn2nc(C3CC3)sc2=S)CCO1 ZINC000173897282 697381988 /nfs/dbraw/zinc/38/19/88/697381988.db2.gz BNVMYVODRCSUBT-NSHDSACASA-N 1 0 314.480 1.771 10 0 DDAERO O[C@H](C[N@@H+]1CC[C@H](N2CCOCC2)C1)c1ccc(F)c(F)c1 ZINC000173949995 697382489 /nfs/dbraw/zinc/38/24/89/697382489.db2.gz SUBHYORQEIGUDR-XJKSGUPXSA-N 1 0 312.360 1.405 10 0 DDAERO COC[C@@]1(C)CC(=O)N(CN2CCC(c3ccnn3C)CC2)C1 ZINC000177147115 697409717 /nfs/dbraw/zinc/40/97/17/697409717.db2.gz QQJYDWWCNFTHEF-KRWDZBQOSA-N 1 0 320.437 1.442 10 0 DDAERO Cn1cc([C@H]2CCN(CN3Cc4ccc(F)cc4C3=O)C2)cn1 ZINC000179859386 697442159 /nfs/dbraw/zinc/44/21/59/697442159.db2.gz WJJPGWKUKJYYNG-LBPRGKRZSA-N 1 0 314.364 1.962 10 0 DDAERO OC[C@H]1C[C@H](O)C[N@@H+]1CCOc1ccccc1C(F)(F)F ZINC000185134776 697514466 /nfs/dbraw/zinc/51/44/66/697514466.db2.gz NKLDSYXMYBWKPV-MNOVXSKESA-N 1 0 305.296 1.512 10 0 DDAERO Cn1nccc1CCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000185813245 697524545 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DDAERO CO[C@](C)(CO)C[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711420795 699257926 /nfs/dbraw/zinc/25/79/26/699257926.db2.gz UODNTLJPZZMTCS-QOZQQMKHSA-N 1 0 302.415 1.277 10 0 DDAERO COc1cc(Cl)ccc1S(=O)(=O)NCC1CC([NH3+])C1 ZINC000715114440 699274198 /nfs/dbraw/zinc/27/41/98/699274198.db2.gz RWIGWYMQNUJPAB-UHFFFAOYSA-N 1 0 304.799 1.364 10 0 DDAERO NC(=O)C1CC([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000716723970 699284098 /nfs/dbraw/zinc/28/40/98/699284098.db2.gz YGMVMDREYXYBQC-UHFFFAOYSA-N 1 0 301.159 1.942 10 0 DDAERO Cc1nnc(NCc2cc(O[C@H]3CC[NH2+]C3)ccn2)nc1C ZINC000818629507 703947053 /nfs/dbraw/zinc/94/70/53/703947053.db2.gz XUORFZGSOKAWRW-AWEZNQCLSA-N 1 0 300.366 1.236 10 0 DDAERO CNC(=O)C[C@]1(O)CCC[N@H+](Cc2ccnn2C2CCCC2)C1 ZINC000886085527 708695326 /nfs/dbraw/zinc/69/53/26/708695326.db2.gz TUDHKERLQFBHFC-QGZVFWFLSA-N 1 0 320.437 1.461 10 0 DDAERO Cc1n[nH]cc1C[NH2+][C@H]1CCO[C@@H]1c1cnn(CC2CC2)c1 ZINC000888075937 709209217 /nfs/dbraw/zinc/20/92/17/709209217.db2.gz BOFIHEFFSSFKMI-JKSUJKDBSA-N 1 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192324073 /nfs/dbraw/zinc/32/40/73/192324073.db2.gz RAWWXYOVPLPPAR-VXGBXAGGSA-N 1 0 303.424 1.556 10 0 DDAERO COc1ccc2c(c1)CC[C@H](Sc1n[nH]c(=O)n1C)[C@@H]2[NH3+] ZINC000081882143 192333800 /nfs/dbraw/zinc/33/38/00/192333800.db2.gz BBOWGQFKTKDXRL-NWDGAFQWSA-N 1 0 306.391 1.224 10 0 DDAERO Cn1c(SC[C@@H]([NH3+])C23CC4CC(CC(C4)C2)C3)n[nH]c1=O ZINC000081880688 192334306 /nfs/dbraw/zinc/33/43/06/192334306.db2.gz CMQMDDXBXFSENI-RDZWNTDESA-N 1 0 308.451 1.744 10 0 DDAERO [NH3+][C@H]1CCC2(C[C@@H]1Sc1nnc3ccccn31)OCCO2 ZINC000081880965 192334602 /nfs/dbraw/zinc/33/46/02/192334602.db2.gz XMCJRBKRJPZBCK-QWRGUYRKSA-N 1 0 306.391 1.444 10 0 DDAERO CC[NH2+][C@H]1CCOC[C@H]1S(=O)(=O)c1ccccc1Cl ZINC000081920482 192338858 /nfs/dbraw/zinc/33/88/58/192338858.db2.gz HLWQGPOFVKIODE-WCQYABFASA-N 1 0 303.811 1.881 10 0 DDAERO CCC[NH2+][C@@H]1CCOC[C@@H]1S(=O)(=O)c1cccc(OC)c1 ZINC000081923489 192339486 /nfs/dbraw/zinc/33/94/86/192339486.db2.gz YITDRXVZHSHZOC-CABCVRRESA-N 1 0 313.419 1.626 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccncc2C(F)(F)F)CCO1 ZINC000193089300 282127316 /nfs/dbraw/zinc/12/73/16/282127316.db2.gz DBIIQIOMTAWHJI-SNVBAGLBSA-N 1 0 317.311 1.503 10 0 DDAERO Cc1cccc2nc(C[N@H+](C)C[C@@H]3CCC[C@H]3O)cc(=O)n12 ZINC000305369862 231004986 /nfs/dbraw/zinc/00/49/86/231004986.db2.gz XBGSUDAUESECQB-DZGCQCFKSA-N 1 0 301.390 1.596 10 0 DDAERO CCC[C@@H](CC[NH3+])CCC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000079238170 185162420 /nfs/dbraw/zinc/16/24/20/185162420.db2.gz KPMHSYVHCNQUMG-ZIAGYGMSSA-N 1 0 318.483 1.567 10 0 DDAERO [NH3+][C@H](Cc1cc(Br)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000083185132 185217061 /nfs/dbraw/zinc/21/70/61/185217061.db2.gz MDKXCQALFOTRFU-GMSGAONNSA-N 1 0 324.265 1.815 10 0 DDAERO Cc1cc([C@@H]([NH3+])c2ccc3[nH]c(=O)c(=O)[nH]c3c2)sc1C ZINC000087565888 185228356 /nfs/dbraw/zinc/22/83/56/185228356.db2.gz HCZWGAKWJMQNKV-ZDUSSCGKSA-N 1 0 301.371 1.943 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1CNCc1sccc1Br ZINC000087575907 185228783 /nfs/dbraw/zinc/22/87/83/185228783.db2.gz PQHJDNXWGLIHDK-WCBMZHEXSA-N 1 0 305.241 1.835 10 0 DDAERO Brc1cnn(-c2nnc(C[NH2+]C3CC3)s2)c1 ZINC000087698583 185230748 /nfs/dbraw/zinc/23/07/48/185230748.db2.gz XPFZVJGRYJJSDD-UHFFFAOYSA-N 1 0 300.185 1.738 10 0 DDAERO Nc1cc(Cl)ccc1SC[C@H](O)CN1CC[NH2+]CC1 ZINC000088061966 185238545 /nfs/dbraw/zinc/23/85/45/185238545.db2.gz VNGHVKBMKUTDFP-LLVKDONJSA-N 1 0 301.843 1.280 10 0 DDAERO CCc1nn(C)c(C[S@](=O)[C@H](C)C[NH3+])c1Br ZINC000088067452 185238673 /nfs/dbraw/zinc/23/86/73/185238673.db2.gz LCBFYUJNGGIZSD-VGDKGRGNSA-N 1 0 308.245 1.341 10 0 DDAERO Cc1nn(C)c(C[S@](=O)CC[C@@H](C)[NH3+])c1Br ZINC000088077090 185238972 /nfs/dbraw/zinc/23/89/72/185238972.db2.gz VYLSHLGGIUXFLU-QZTNRIJFSA-N 1 0 308.245 1.477 10 0 DDAERO C[NH2+][C@H](Cc1cccc(Br)c1)[C@@H]1COCCO1 ZINC000087857456 185233669 /nfs/dbraw/zinc/23/36/69/185233669.db2.gz BORCHAKDORGSBH-OLZOCXBDSA-N 1 0 300.196 1.995 10 0 DDAERO CC[C@H](C)N(CCOC)c1nc(NN)[nH+]cc1Br ZINC000087866737 185233760 /nfs/dbraw/zinc/23/37/60/185233760.db2.gz GJOFTPIPYHHKJO-QMMMGPOBSA-N 1 0 318.219 1.776 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC000182282459 539239240 /nfs/dbraw/zinc/23/92/40/539239240.db2.gz BTOAXKNPKRZYKY-OAHLLOKOSA-N 1 0 317.433 1.816 10 0 DDAERO CCOCc1ccccc1CNC(=O)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000183138388 539240882 /nfs/dbraw/zinc/24/08/82/539240882.db2.gz GSCMUVYSCHDDLV-WMLDXEAASA-N 1 0 320.433 1.996 10 0 DDAERO Cc1c(Br)cccc1C(=O)NC[C@@H]([NH3+])[C@H](C)O ZINC000088442088 185250795 /nfs/dbraw/zinc/25/07/95/185250795.db2.gz CMQHJYOBBPRDBT-GZMMTYOYSA-N 1 0 301.184 1.195 10 0 DDAERO O=S(=O)(c1ccc(CO)o1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000088552237 185257588 /nfs/dbraw/zinc/25/75/88/185257588.db2.gz VTCNWFSLTPGGLE-LBPRGKRZSA-N 1 0 314.407 1.021 10 0 DDAERO Cc1ccc2c(N)c(C(=O)NC[C@H]3CC[N@@H+](C)C3)sc2n1 ZINC000088640953 185260661 /nfs/dbraw/zinc/26/06/61/185260661.db2.gz HCIQTHVNBOMOJP-SNVBAGLBSA-N 1 0 304.419 1.868 10 0 DDAERO O=S1(=O)C=C[C@H]([NH2+][C@H]2CCN(CCc3ccccc3)C2)C1 ZINC000088855330 185267280 /nfs/dbraw/zinc/26/72/80/185267280.db2.gz OTAOXAMXDLSDRC-HOTGVXAUSA-N 1 0 306.431 1.204 10 0 DDAERO COCCCS(=O)(=O)[C@H](C)[C@@H]([NH3+])c1ccc(OC)cc1 ZINC000081985895 192349611 /nfs/dbraw/zinc/34/96/11/192349611.db2.gz HBCDPQAVZVLMAW-BXUZGUMPSA-N 1 0 301.408 1.535 10 0 DDAERO Cc1ccc(CO)cc1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000088883994 185268636 /nfs/dbraw/zinc/26/86/36/185268636.db2.gz DGICJBNFRVJODP-UHFFFAOYSA-N 1 0 312.435 1.202 10 0 DDAERO C[NH2+][C@@H](C[S@@](=O)CCS(C)(=O)=O)c1cc(C)ccc1C ZINC000081992979 192351752 /nfs/dbraw/zinc/35/17/52/192351752.db2.gz QMBUYFJWNUACCP-IFXJQAMLSA-N 1 0 317.476 1.357 10 0 DDAERO Cc1ccccc1C[S@](=O)[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000082011796 192353539 /nfs/dbraw/zinc/35/35/39/192353539.db2.gz YQSMIJZCPGVZNY-PDSXEYIOSA-N 1 0 309.431 1.867 10 0 DDAERO Cc1ncc(/C=C\C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)s1 ZINC000254990636 282223320 /nfs/dbraw/zinc/22/33/20/282223320.db2.gz QOOBAFLAQQVEMD-DFPOMNKCSA-N 1 0 309.435 1.378 10 0 DDAERO CN(Cc1nnc(-c2ccc(Br)o2)o1)C1C[NH2+]C1 ZINC000090290499 185289580 /nfs/dbraw/zinc/28/95/80/185289580.db2.gz HFODNYKLRSUOBL-UHFFFAOYSA-N 1 0 313.155 1.496 10 0 DDAERO CCCN(C1C[NH2+]C1)S(=O)(=O)c1ccc(OC)cc1OC ZINC000090293349 185289980 /nfs/dbraw/zinc/28/99/80/185289980.db2.gz BOPNFGKREWJUGX-UHFFFAOYSA-N 1 0 314.407 1.076 10 0 DDAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NC(=O)c1ccccc1Br ZINC000090311531 185290487 /nfs/dbraw/zinc/29/04/87/185290487.db2.gz BMBZXSKAUCISTO-TUAOUCFPSA-N 1 0 313.195 1.684 10 0 DDAERO Cc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090322257 185290921 /nfs/dbraw/zinc/29/09/21/185290921.db2.gz CUOPDQYRGUMUQJ-QWRGUYRKSA-N 1 0 300.811 1.488 10 0 DDAERO CCNS(=O)(=O)c1ccc(N2C[C@@H]3C[NH2+]C[C@@H]3[C@@H]2C)cc1 ZINC000090328233 185291251 /nfs/dbraw/zinc/29/12/51/185291251.db2.gz BRHARYSYKXOPDM-SLEUVZQESA-N 1 0 309.435 1.029 10 0 DDAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1ccc(F)cc1F ZINC000090331737 185291437 /nfs/dbraw/zinc/29/14/37/185291437.db2.gz XOOVMVIJRUYTSB-SUZMYJTESA-N 1 0 316.373 1.583 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)N1CCCC[C@@H]1C ZINC000090331933 185291652 /nfs/dbraw/zinc/29/16/52/185291652.db2.gz WYCAYYDSDPVACU-REWJHTLYSA-N 1 0 301.456 1.035 10 0 DDAERO Cc1ccc(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@@H]3C2(C)C)s1 ZINC000090336867 185292003 /nfs/dbraw/zinc/29/20/03/185292003.db2.gz YQPANBUVQYWBJO-QWRGUYRKSA-N 1 0 300.449 1.675 10 0 DDAERO COC(=O)c1sccc1NC(=O)CSC[C@H](C)C[NH3+] ZINC000090350351 185292112 /nfs/dbraw/zinc/29/21/12/185292112.db2.gz HRYRFRDUSREFNA-MRVPVSSYSA-N 1 0 302.421 1.801 10 0 DDAERO COc1cc([C@@H]2[NH2+]C[C@H](C)S2)cc(Cl)c1OCC(N)=O ZINC000090341147 185292202 /nfs/dbraw/zinc/29/22/02/185292202.db2.gz QAGMVVVKBSOYRJ-WPPNPWJKSA-N 1 0 316.810 1.936 10 0 DDAERO [NH3+][C@H]1COC[C@H]1C(=O)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000090381930 185293721 /nfs/dbraw/zinc/29/37/21/185293721.db2.gz DAKYYZAYXXIAKU-RISCZKNCSA-N 1 0 312.772 1.944 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000090431614 185295784 /nfs/dbraw/zinc/29/57/84/185295784.db2.gz NRPYNESANYWZNZ-LDYMZIIASA-N 1 0 314.769 1.530 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(C)c(Br)c1 ZINC000090437788 185296075 /nfs/dbraw/zinc/29/60/75/185296075.db2.gz UXCLAMGAICABET-CMPLNLGQSA-N 1 0 313.195 1.930 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000090438625 185296554 /nfs/dbraw/zinc/29/65/54/185296554.db2.gz POVWDDCDECTUAU-CZUORRHYSA-N 1 0 309.841 1.696 10 0 DDAERO C[NH2+][C@H](C[S@@](=O)CCCOC)c1ccc(OC)cc1OC ZINC000081999610 192353752 /nfs/dbraw/zinc/35/37/52/192353752.db2.gz BQGPQIAFKPZTJX-SPLOXXLWSA-N 1 0 315.435 1.750 10 0 DDAERO COc1cc(NC(=O)[C@@]2(C)COC[C@@H]2[NH3+])c(OC)cc1Cl ZINC000090580371 185304964 /nfs/dbraw/zinc/30/49/64/185304964.db2.gz JGIRRMLSOOPSFN-JSGCOSHPSA-N 1 0 314.769 1.660 10 0 DDAERO C[C@@]1(C(=O)Nc2ccccc2OC(F)(F)F)COC[C@H]1[NH3+] ZINC000090580686 185305005 /nfs/dbraw/zinc/30/50/05/185305005.db2.gz PSBXFYHPWJPZAC-ZYHUDNBSSA-N 1 0 304.268 1.888 10 0 DDAERO CN(CCOc1cccc(Cl)c1)C(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090591007 185305550 /nfs/dbraw/zinc/30/55/50/185305550.db2.gz GGRJDZUFRBBGAW-DZGCQCFKSA-N 1 0 312.797 1.541 10 0 DDAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)N(CCOC)C(CC)CC ZINC000090541965 185301854 /nfs/dbraw/zinc/30/18/54/185301854.db2.gz UJVXFBMUCMPKPG-CABCVRRESA-N 1 0 300.443 1.665 10 0 DDAERO C[C@]1(C(=O)Nc2ccc(Br)cc2F)COC[C@H]1[NH3+] ZINC000090580515 185304818 /nfs/dbraw/zinc/30/48/18/185304818.db2.gz DDTVMRZNKOGOCL-PWSUYJOCSA-N 1 0 317.158 1.891 10 0 DDAERO COc1cc(NC(=O)[C@]2(C)COC[C@H]2[NH3+])c(OC)cc1Cl ZINC000090580379 185304844 /nfs/dbraw/zinc/30/48/44/185304844.db2.gz JGIRRMLSOOPSFN-TZMCWYRMSA-N 1 0 314.769 1.660 10 0 DDAERO CC[NH2+]CCCN(C)S(=O)(=O)N[C@H](C)c1c(C)noc1C ZINC000092344141 185313208 /nfs/dbraw/zinc/31/32/08/185313208.db2.gz CFBHXTUNXQKJBT-LLVKDONJSA-N 1 0 318.443 1.118 10 0 DDAERO C[NH2+]Cc1cc(S(=O)(=O)N[C@H](C)c2c(C)noc2C)c[nH]1 ZINC000092344025 185313245 /nfs/dbraw/zinc/31/32/45/185313245.db2.gz JSKDPWIWYDITGP-SECBINFHSA-N 1 0 312.395 1.378 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(F)c(N)c1 ZINC000092622629 185329614 /nfs/dbraw/zinc/32/96/14/185329614.db2.gz OQORTESRJUMQKI-LLVKDONJSA-N 1 0 315.414 1.513 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc(S(C)(=O)=O)cc1N ZINC000092624150 185329956 /nfs/dbraw/zinc/32/99/56/185329956.db2.gz DEPRKGRVMLHDPU-GFCCVEGCSA-N 1 0 311.451 1.593 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000092627879 185330214 /nfs/dbraw/zinc/33/02/14/185330214.db2.gz YOLFMTVDFRZLNK-CYBMUJFWSA-N 1 0 300.399 1.931 10 0 DDAERO O=C(Nc1cccc(Cl)c1Cl)c1cn(C2C[NH2+]C2)nn1 ZINC000092700354 185333808 /nfs/dbraw/zinc/33/38/08/185333808.db2.gz DUOQADJEPPEEIV-UHFFFAOYSA-N 1 0 312.160 1.982 10 0 DDAERO CCn1cnc(S(=O)(=O)N(C)C2(C[NH3+])CCC(C)CC2)c1 ZINC000092889810 185347966 /nfs/dbraw/zinc/34/79/66/185347966.db2.gz BMNHDJYLMJKHFS-UHFFFAOYSA-N 1 0 314.455 1.431 10 0 DDAERO CCn1cnc(S(=O)(=O)N[C@]2(C[NH3+])CCC[C@H](C)C2)c1 ZINC000092910896 185348546 /nfs/dbraw/zinc/34/85/46/185348546.db2.gz BGRQHACQLVRVCQ-WCQYABFASA-N 1 0 300.428 1.089 10 0 DDAERO CN(CCc1cnccn1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C(F)(F)F ZINC000299746098 529937690 /nfs/dbraw/zinc/93/76/90/529937690.db2.gz VGMPAKJIOUSFLN-VXGBXAGGSA-N 1 0 316.327 1.218 10 0 DDAERO CCCS(=O)(=O)CC[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000181756311 199348102 /nfs/dbraw/zinc/34/81/02/199348102.db2.gz VJXSVICUNNYVCF-GFCCVEGCSA-N 1 0 313.419 1.933 10 0 DDAERO CC[C@H]([NH3+])Cc1cc(F)ccc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000111495325 185608847 /nfs/dbraw/zinc/60/88/47/185608847.db2.gz LANUWHJEFKIGHM-UONOGXRCSA-N 1 0 314.426 1.729 10 0 DDAERO CCC[NH2+][C@@H](C)[C@@H]1CCCN(S(=O)(=O)c2cn[nH]c2)C1 ZINC000111713481 185628732 /nfs/dbraw/zinc/62/87/32/185628732.db2.gz CIPAJYJJDQYKFY-NWDGAFQWSA-N 1 0 300.428 1.199 10 0 DDAERO CC(C)(C)[NH2+]C[C@@H]1CCCN(S(=O)(=O)N2CCCC2)C1 ZINC000111719749 185630606 /nfs/dbraw/zinc/63/06/06/185630606.db2.gz OOSBZQWLLFARRD-ZDUSSCGKSA-N 1 0 303.472 1.427 10 0 DDAERO CC(C)C[NH2+]C[C@H]1CCCN(S(=O)(=O)N(C)C(C)C)C1 ZINC000111719953 185631353 /nfs/dbraw/zinc/63/13/53/185631353.db2.gz XZUANCYQPIWEJA-CQSZACIVSA-N 1 0 305.488 1.529 10 0 DDAERO COc1nc(NC[C@@H]2CCC[NH2+]C2)ncc1Br ZINC000235040373 201911898 /nfs/dbraw/zinc/91/18/98/201911898.db2.gz KHNNHCDEFWFACJ-MRVPVSSYSA-N 1 0 301.188 1.659 10 0 DDAERO C[C@@H]1CC[C@H](C[NH3+])CN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000070181187 190869153 /nfs/dbraw/zinc/86/91/53/190869153.db2.gz GWJXBESWPHHMNE-GHMZBOCLSA-N 1 0 308.407 1.311 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)c1cccc(F)c1N ZINC000070446112 190893938 /nfs/dbraw/zinc/89/39/38/190893938.db2.gz RKKUAZLCLVUPNU-LLVKDONJSA-N 1 0 317.430 1.663 10 0 DDAERO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(F)c(F)c1F ZINC000071312914 190956744 /nfs/dbraw/zinc/95/67/44/190956744.db2.gz RIZFRLTUTRFQTN-MRVPVSSYSA-N 1 0 308.325 1.476 10 0 DDAERO Cc1cc(F)ccc1S(=O)(=O)NC[C@H]1[NH2+]CCC[C@H]1C ZINC000071339120 190959994 /nfs/dbraw/zinc/95/99/94/190959994.db2.gz VGQYZDKERGUFPD-ZWNOBZJWSA-N 1 0 300.399 1.801 10 0 DDAERO [NH3+][C@@]1(Cc2ccc(I)cc2)CCOC1 ZINC000083851894 192388036 /nfs/dbraw/zinc/38/80/36/192388036.db2.gz IVITWEYUVOLBRJ-LLVKDONJSA-N 1 0 303.143 1.952 10 0 DDAERO C[NH2+][C@@H](C)CCCS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000083996880 192395563 /nfs/dbraw/zinc/39/55/63/192395563.db2.gz BWPMCUJQEREBQE-NSHDSACASA-N 1 0 319.448 1.252 10 0 DDAERO [NH3+][C@H]1CCC2(C[C@H]1[S@](=O)c1ccc(F)c(F)c1)OCCO2 ZINC000084032507 192396377 /nfs/dbraw/zinc/39/63/77/192396377.db2.gz XSFBANYFZHIYHV-QRQYBIJMSA-N 1 0 317.357 1.695 10 0 DDAERO CCC[NH2+][C@@H](C)C[S@@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084056199 192398039 /nfs/dbraw/zinc/39/80/39/192398039.db2.gz YBWDJQKHXPEABD-VOJFVSQTSA-N 1 0 303.449 1.586 10 0 DDAERO C[NH2+][C@@H](CS(=O)(=O)CCCOC)c1ccc2c(c1)OCO2 ZINC000083985545 192394389 /nfs/dbraw/zinc/39/43/89/192394389.db2.gz OKCYAOYTTUJPGS-LBPRGKRZSA-N 1 0 315.391 1.127 10 0 DDAERO C[NH2+]CCc1nc2cc(C)ccc2n1CCN1CCOCC1 ZINC000071667029 191002230 /nfs/dbraw/zinc/00/22/30/191002230.db2.gz BXSBSGDXWXNUNU-UHFFFAOYSA-N 1 0 302.422 1.439 10 0 DDAERO COCCCN1Cc2c(cc(OC)c(OC)c2OC)[C@H]1C[NH3+] ZINC000071684659 191008397 /nfs/dbraw/zinc/00/83/97/191008397.db2.gz FOZWSXUDVCCOJR-CYBMUJFWSA-N 1 0 310.394 1.564 10 0 DDAERO COC(=O)[C@H](CC(C)C)NC(=O)Cc1csc([C@H](C)[NH3+])n1 ZINC000071695931 191008754 /nfs/dbraw/zinc/00/87/54/191008754.db2.gz ROVSJAFYKWBJAD-ONGXEEELSA-N 1 0 313.423 1.409 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC000155724351 186106782 /nfs/dbraw/zinc/10/67/82/186106782.db2.gz DZXPMGUTIKDOMF-DOMZBBRYSA-N 1 0 319.405 1.009 10 0 DDAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccc(-n3cccc3)cc2)C1 ZINC000183877895 186226434 /nfs/dbraw/zinc/22/64/34/186226434.db2.gz RKYYFFFYTBSEPE-OAHLLOKOSA-N 1 0 319.430 1.802 10 0 DDAERO COC[C@H](NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)c1ccco1 ZINC000262867245 186316141 /nfs/dbraw/zinc/31/61/41/186316141.db2.gz XFHHQLKKUOIEAF-OCCSQVGLSA-N 1 0 318.377 1.518 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)NCc2ccc(Cl)cc2)CCO1 ZINC000172046713 198030099 /nfs/dbraw/zinc/03/00/99/198030099.db2.gz MUMMJIPTOKDJJV-AWEZNQCLSA-N 1 0 311.813 1.812 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)NCc2cc(C)no2)C[C@H]1CC ZINC000172129847 198043518 /nfs/dbraw/zinc/04/35/18/198043518.db2.gz VJPILLYTJOVSKF-CQSZACIVSA-N 1 0 324.425 1.625 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(Cc2cnn(-c3ccccc3)n2)CC1 ZINC000174082345 198289574 /nfs/dbraw/zinc/28/95/74/198289574.db2.gz PNXHBSBJTPPCEA-KRWDZBQOSA-N 1 0 315.421 1.156 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(CC(=O)N(CC)c2ccccc2)CC1 ZINC000174088456 198290191 /nfs/dbraw/zinc/29/01/91/198290191.db2.gz IJXLDEBUYHRXJX-QGZVFWFLSA-N 1 0 319.449 1.428 10 0 DDAERO C[C@H]([NH3+])c1ccc(-n2cc(C(N)=O)cn2)c(Br)c1 ZINC000085198968 192482399 /nfs/dbraw/zinc/48/23/99/192482399.db2.gz DQNRKWJRDRYDQM-ZETCQYMHSA-N 1 0 309.167 1.753 10 0 DDAERO COCCN1CC[N@H+](CCC(=O)Nc2ccccc2C)C[C@H]1C ZINC000174782464 198384922 /nfs/dbraw/zinc/38/49/22/198384922.db2.gz XLTBGLGETCBHND-MRXNPFEDSA-N 1 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1 0 324.016 1.935 10 0 DDAERO C[NH+](C)C[C@H](O)c1cc2n(n1)CCCN(c1ccncc1F)C2 ZINC000220394579 354314240 /nfs/dbraw/zinc/31/42/40/354314240.db2.gz JAZUZKOSROEZMR-INIZCTEOSA-N 1 0 319.384 1.423 10 0 DDAERO CCOCC[N@@H+]1CCN([C@H](C)c2nc(C)cc(=O)[nH]2)C[C@@H]1CC ZINC000248768656 354371385 /nfs/dbraw/zinc/37/13/85/354371385.db2.gz SHOUEBKPNXNWAZ-CABCVRRESA-N 1 0 322.453 1.984 10 0 DDAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000311714083 354476898 /nfs/dbraw/zinc/47/68/98/354476898.db2.gz WKFUVMJNBNHWAX-IRXDYDNUSA-N 1 0 306.450 1.884 10 0 DDAERO CN(C[C@H]1CCc2nccn2C1)C(=O)c1ccn2c[nH+]cc2c1 ZINC000328625687 354550552 /nfs/dbraw/zinc/55/05/52/354550552.db2.gz KXPCGWMVDMFZAC-CYBMUJFWSA-N 1 0 309.373 1.865 10 0 DDAERO C[C@@]1(C(=O)NCc2n[nH]cc2Br)CCCC[NH2+]1 ZINC000584837617 354780033 /nfs/dbraw/zinc/78/00/33/354780033.db2.gz JASCSQCHSQRSSN-NSHDSACASA-N 1 0 301.188 1.321 10 0 DDAERO [NH3+][C@@H]1CCN(Cc2cc(=O)[nH]c(-c3ccc(Cl)cc3)n2)C1 ZINC000073696222 191342400 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[NH3+]C[C@H](c1ccoc1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081532138 192285134 /nfs/dbraw/zinc/28/51/34/192285134.db2.gz VCLHNHIWRGVALN-SECBINFHSA-N 1 0 301.272 1.406 10 0 DDAERO C[N@@H+]1CC[C@@H](CNc2ncncc2I)C1 ZINC000085465299 192508159 /nfs/dbraw/zinc/50/81/59/192508159.db2.gz SRHBQTFMVXCPJI-QMMMGPOBSA-N 1 0 318.162 1.445 10 0 DDAERO CC[NH2+]CCNC(=O)C[C@H](C)S(=O)(=O)c1ccc(F)cc1 ZINC000236916847 202071219 /nfs/dbraw/zinc/07/12/19/202071219.db2.gz OONUEOVQEGBWKN-NSHDSACASA-N 1 0 316.398 1.104 10 0 DDAERO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(CO)s2)C1 ZINC000088900021 192649079 /nfs/dbraw/zinc/64/90/79/192649079.db2.gz WUVMZIARPJYLAH-NSHDSACASA-N 1 0 318.464 1.345 10 0 DDAERO CC[NH2+]Cc1c[nH]nc1S(=O)(=O)N(CC)C1CCCCC1 ZINC000088917976 192658278 /nfs/dbraw/zinc/65/82/78/192658278.db2.gz NTVZCKLREZIVRT-UHFFFAOYSA-N 1 0 314.455 1.863 10 0 DDAERO CC[NH2+]CCc1ccc(S(=O)(=O)N2CCO[C@H](C)C2)cc1 ZINC000088913612 192654089 /nfs/dbraw/zinc/65/40/89/192654089.db2.gz WZOWUMBBPIVBTN-CYBMUJFWSA-N 1 0 312.435 1.248 10 0 DDAERO CC[NH2+]CCCn1cc(S(=O)(=O)N(CC)[C@@H](C)CC)cn1 ZINC000088950504 192666380 /nfs/dbraw/zinc/66/63/80/192666380.db2.gz UZVOMANXYSDFTF-ZDUSSCGKSA-N 1 0 316.471 1.692 10 0 DDAERO CCN(C(C)C)S(=O)(=O)c1ccc(OCCC[NH3+])cc1 ZINC000088942118 192663528 /nfs/dbraw/zinc/66/35/28/192663528.db2.gz QGRBLPOQBNCOEN-UHFFFAOYSA-N 1 0 300.424 1.833 10 0 DDAERO C[C@H]1CCC[C@H](N(C)S(=O)(=O)c2cnn(CCC[NH3+])c2)C1 ZINC000088995948 192686728 /nfs/dbraw/zinc/68/67/28/192686728.db2.gz SWRWERHSDDAUJF-STQMWFEESA-N 1 0 314.455 1.431 10 0 DDAERO C[C@H]1CCC[C@H](N(C)S(=O)(=O)c2cnn(CC[NH3+])c2)C1 ZINC000088995598 192687711 /nfs/dbraw/zinc/68/77/11/192687711.db2.gz VJIVAKHPNIBJEY-RYUDHWBXSA-N 1 0 300.428 1.041 10 0 DDAERO CCO[C@H]1CCCN(S(=O)(=O)c2cc(C[NH2+]C)cs2)C1 ZINC000089003858 192692028 /nfs/dbraw/zinc/69/20/28/192692028.db2.gz IZLJJSRRJZXHMW-LBPRGKRZSA-N 1 0 318.464 1.657 10 0 DDAERO COc1ccccc1N1CCN(C(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000237301393 202223721 /nfs/dbraw/zinc/22/37/21/202223721.db2.gz ZITYDBSYIBLAIZ-UONOGXRCSA-N 1 0 303.406 1.471 10 0 DDAERO COc1cc2c(cc1OC)CN(C(=O)[C@H]1CCC[C@@H]1[NH3+])CC2 ZINC000237408101 202256396 /nfs/dbraw/zinc/25/63/96/202256396.db2.gz BMYPOLWGELRNNU-KBPBESRZSA-N 1 0 304.390 1.716 10 0 DDAERO Ic1ccc(NC[C@H]2COCC[NH2+]2)nc1 ZINC000600862614 358331326 /nfs/dbraw/zinc/33/13/26/358331326.db2.gz CRAIKPOGJHZEDR-VIFPVBQESA-N 1 0 319.146 1.087 10 0 DDAERO Ic1ccc(NC2CC[NH2+]CC2)nc1 ZINC000600961350 358358119 /nfs/dbraw/zinc/35/81/19/358358119.db2.gz QAPWWFYKWAVLLJ-UHFFFAOYSA-N 1 0 303.147 1.850 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccnn2Cc2ccccn2)C1 ZINC000181130592 199255359 /nfs/dbraw/zinc/25/53/59/199255359.db2.gz HXQGGFZLGYRTGP-AWEZNQCLSA-N 1 0 314.393 1.494 10 0 DDAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)c1ccc(F)cc1 ZINC000089014805 192700288 /nfs/dbraw/zinc/70/02/88/192700288.db2.gz SLHKZRHJAFVIHK-CQSZACIVSA-N 1 0 315.414 1.581 10 0 DDAERO CCNC(=O)[C@H]1C[NH2+]CCN1CCSc1ccc(F)cc1 ZINC000089090361 192724733 /nfs/dbraw/zinc/72/47/33/192724733.db2.gz CDYWVGQEVBOSCO-CQSZACIVSA-N 1 0 311.426 1.328 10 0 DDAERO Cc1nn(C)c(CN2CC[NH2+]CC2(C)C)c1Br ZINC000089234519 192747258 /nfs/dbraw/zinc/74/72/58/192747258.db2.gz IRLYFKNGUHDVSH-UHFFFAOYSA-N 1 0 301.232 1.675 10 0 DDAERO O=C1c2ccccc2C(=O)N1C[C@@H](O)C[N@@H+]1CCCC2(CC2)C1 ZINC000186979361 200042242 /nfs/dbraw/zinc/04/22/42/200042242.db2.gz PZCDJXRNKRCHEV-ZDUSSCGKSA-N 1 0 314.385 1.520 10 0 DDAERO CN1CCO[C@H](C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000187210534 200078464 /nfs/dbraw/zinc/07/84/64/200078464.db2.gz HNAJQIKWQQXYEC-OAHLLOKOSA-N 1 0 303.406 1.016 10 0 DDAERO C[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c2ccccc21 ZINC000237434657 202265884 /nfs/dbraw/zinc/26/58/84/202265884.db2.gz DSUVQGRXYGIQME-UGFHNGPFSA-N 1 0 324.446 1.503 10 0 DDAERO [NH3+]C[C@@H]1CCCCN1C(=O)CCN1c2ccccc2CCC1=O ZINC000237824604 202365156 /nfs/dbraw/zinc/36/51/56/202365156.db2.gz FUSKMVWPUBKSID-HNNXBMFYSA-N 1 0 315.417 1.696 10 0 DDAERO C[C@H]1OCCN[C@@H]1C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000262314727 291210106 /nfs/dbraw/zinc/21/01/06/291210106.db2.gz QSQGPAUXYGLPTF-YVSFHVDLSA-N 1 0 323.481 1.476 10 0 DDAERO C[N@H+](CCOCC(F)F)[C@H]1CCCN(c2cccnn2)C1 ZINC000189135711 200354561 /nfs/dbraw/zinc/35/45/61/200354561.db2.gz BCCLZPFVYZVBMZ-LBPRGKRZSA-N 1 0 300.353 1.659 10 0 DDAERO [NH3+][C@H]1CCCC[C@@H]1NS(=O)(=O)N1CCc2ccccc2C1 ZINC000038050004 283622028 /nfs/dbraw/zinc/62/20/28/283622028.db2.gz ULPBZQWCCRXZJY-GJZGRUSLSA-N 1 0 309.435 1.149 10 0 DDAERO O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc(CN2CCOCC2)cc1 ZINC000194018344 201164584 /nfs/dbraw/zinc/16/45/84/201164584.db2.gz BCPXZUFROHQSOJ-INIZCTEOSA-N 1 0 303.406 1.599 10 0 DDAERO CCCNC(=O)CN1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195250709 201366382 /nfs/dbraw/zinc/36/63/82/201366382.db2.gz YRZWATUYWOFNMA-CQSZACIVSA-N 1 0 324.494 1.731 10 0 DDAERO CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000247325241 202664136 /nfs/dbraw/zinc/66/41/36/202664136.db2.gz TXBKFWVGPDYHRY-NUEKZKHPSA-N 1 0 317.433 1.699 10 0 DDAERO CCC1CCC(O)(CNC(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000091291730 193033233 /nfs/dbraw/zinc/03/32/33/193033233.db2.gz PSDKEKVTHMUFRP-JVWICGRDSA-N 1 0 300.468 1.529 10 0 DDAERO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2N)C1 ZINC000091395466 193050519 /nfs/dbraw/zinc/05/05/19/193050519.db2.gz YKHWUZWOIAVVQY-NSHDSACASA-N 1 0 317.842 1.637 10 0 DDAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2cc(-n3cnnn3)ccc2Cl)C1 ZINC000091545363 193071241 /nfs/dbraw/zinc/07/12/41/193071241.db2.gz BMINWQXBVICVQJ-DTWKUNHWSA-N 1 0 306.757 1.382 10 0 DDAERO CCn1nc(C)c(Br)c1C[C@H](O)C[NH2+]C1CC1 ZINC000091467848 193060091 /nfs/dbraw/zinc/06/00/91/193060091.db2.gz RRLLLGBNCPPGNW-JTQLQIEISA-N 1 0 302.216 1.629 10 0 DDAERO COCC[NH2+]C[C@H](O)Cc1ccc(F)c(Br)c1 ZINC000091467880 193060339 /nfs/dbraw/zinc/06/03/39/193060339.db2.gz ROQVWHLCNFQJTI-SNVBAGLBSA-N 1 0 306.175 1.728 10 0 DDAERO CSC1(C(N)=S)CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC000091478932 193062533 /nfs/dbraw/zinc/06/25/33/193062533.db2.gz VEFFTKWOJDZFCY-JTQLQIEISA-N 1 0 317.524 1.773 10 0 DDAERO CC[C@@H](C)NC(=O)C[NH+]1CCC(SC)(C(N)=S)CC1 ZINC000091487530 193063111 /nfs/dbraw/zinc/06/31/11/193063111.db2.gz IKWGIHLVQRIAJV-SNVBAGLBSA-N 1 0 303.497 1.385 10 0 DDAERO CSC1(C(N)=S)CC[NH+]([C@@H](C)C(=O)NC(C)C)CC1 ZINC000091488300 193063276 /nfs/dbraw/zinc/06/32/76/193063276.db2.gz XEFNQZVMYQSBJO-JTQLQIEISA-N 1 0 303.497 1.383 10 0 DDAERO CCS(=O)(=O)CCC[C@@H]([NH3+])C1(N2CCOCC2)CCCC1 ZINC000091642851 193083799 /nfs/dbraw/zinc/08/37/99/193083799.db2.gz BULYBBUEPNMZER-CQSZACIVSA-N 1 0 318.483 1.174 10 0 DDAERO C[NH2+]C1CCC(N(C)S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000091872684 193120940 /nfs/dbraw/zinc/12/09/40/193120940.db2.gz HWOZSNRGEOOHKQ-LMRVLLHPSA-N 1 0 317.499 1.672 10 0 DDAERO CC[NH2+]C1CCC(N(C)S(=O)(=O)N2CCCC[C@@H]2C)CC1 ZINC000091869922 193120970 /nfs/dbraw/zinc/12/09/70/193120970.db2.gz YCQYMZIFUSHXJT-NFOMZHRRSA-N 1 0 317.499 1.958 10 0 DDAERO CNc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000092005711 193140733 /nfs/dbraw/zinc/14/07/33/193140733.db2.gz BXGIBYWPVHIXBG-KGLIPLIRSA-N 1 0 309.435 1.586 10 0 DDAERO Brc1cn2c(C[NH2+]CCn3cccn3)cnc2cn1 ZINC000092049702 193147932 /nfs/dbraw/zinc/14/79/32/193147932.db2.gz ZJQLRPYCMKCTOQ-UHFFFAOYSA-N 1 0 321.182 1.478 10 0 DDAERO C[C@@H]1CCC[C@@H](NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2cc[nH]n2)[C@@H]1C ZINC000625579375 367028455 /nfs/dbraw/zinc/02/84/55/367028455.db2.gz DHUFAJKFWYNDDE-CVXDVXMKSA-N 1 0 320.437 1.770 10 0 DDAERO C[C@H]1CN(S(=O)(=O)N2CCC(C[NH2+]C3CC3)CC2)C[C@@H]1C ZINC000092113576 193161428 /nfs/dbraw/zinc/16/14/28/193161428.db2.gz VZRKIOAGTUNJLS-STQMWFEESA-N 1 0 315.483 1.283 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CC[C@@H](C)C2)c(F)c1 ZINC000092115858 193164121 /nfs/dbraw/zinc/16/41/21/193164121.db2.gz NETYDVJXNLHACE-LLVKDONJSA-N 1 0 300.399 1.966 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)NCCc2cscn2)c(F)c1 ZINC000092116194 193164299 /nfs/dbraw/zinc/16/42/99/193164299.db2.gz KWBAFRZBMNNPEM-UHFFFAOYSA-N 1 0 315.395 1.262 10 0 DDAERO CN(C[C@H]1CCCOC1)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092116186 193164701 /nfs/dbraw/zinc/16/47/01/193164701.db2.gz RNEUIXFXBPPSMM-GFCCVEGCSA-N 1 0 316.398 1.332 10 0 DDAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2cc(-n3cnnn3)ccc2Cl)C1 ZINC000092203041 193172974 /nfs/dbraw/zinc/17/29/74/193172974.db2.gz CNOQVUNCCSEQMJ-DTWKUNHWSA-N 1 0 304.741 1.158 10 0 DDAERO C[C@@H](C(=O)Nc1cccc(C(N)=S)c1)[N@H+](C)CC(C)(C)O ZINC000092967132 193189678 /nfs/dbraw/zinc/18/96/78/193189678.db2.gz SUVMANPKJQBBBB-JTQLQIEISA-N 1 0 309.435 1.351 10 0 DDAERO CCOc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)cc1 ZINC000261987118 203169023 /nfs/dbraw/zinc/16/90/23/203169023.db2.gz SFEORKCJGVZZHH-CVEARBPZSA-N 1 0 314.389 1.761 10 0 DDAERO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)O1 ZINC000262114979 203203608 /nfs/dbraw/zinc/20/36/08/203203608.db2.gz VWTDUPIHHDDFLS-VQHPVUNQSA-N 1 0 318.417 1.607 10 0 DDAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)C1SCCS1 ZINC000262342577 203268323 /nfs/dbraw/zinc/26/83/23/203268323.db2.gz GHQAYIMHAZNPNL-UHFFFAOYSA-N 1 0 313.452 1.027 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)Nc1ccc(S(N)(=O)=O)c(N)c1 ZINC000093198712 193214732 /nfs/dbraw/zinc/21/47/32/193214732.db2.gz BJGQKIMNSOUFPD-GFCCVEGCSA-N 1 0 314.455 1.304 10 0 DDAERO O=S1(=O)CC[C@@H](C2(CCCOc3ccccc3)C[NH2+]C2)C1 ZINC000093195532 193214763 /nfs/dbraw/zinc/21/47/63/193214763.db2.gz VQRUHUVDIHEPQR-CQSZACIVSA-N 1 0 309.431 1.870 10 0 DDAERO CC[NH2+]Cc1[nH]nc(C)c1S(=O)(=O)N(CC)C[C@H](C)CC ZINC000093265978 193222693 /nfs/dbraw/zinc/22/26/93/193222693.db2.gz VCSSIUBOOXLHGL-LLVKDONJSA-N 1 0 316.471 1.884 10 0 DDAERO CN(CCc1cccs1)S(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000093292225 193225776 /nfs/dbraw/zinc/22/57/76/193225776.db2.gz NEXHKHZJRMRBNI-GFCCVEGCSA-N 1 0 302.465 1.694 10 0 DDAERO Cc1ccc(N[C@H](C)C[C@@H]2CCCC[NH2+]2)cc1S(N)(=O)=O ZINC000093473464 193256830 /nfs/dbraw/zinc/25/68/30/193256830.db2.gz IPRXMDGTTXWQFP-OLZOCXBDSA-N 1 0 311.451 1.975 10 0 DDAERO CCC[NH2+][C@H]1CCC[C@@H]1CCS(=O)(=O)CC(=O)OCC ZINC000093623672 193275694 /nfs/dbraw/zinc/27/56/94/193275694.db2.gz PDKWRWFETMTSIR-OLZOCXBDSA-N 1 0 305.440 1.523 10 0 DDAERO C[NH2+][C@@]1(CO)CCC[C@@H]1CCSc1nnc2ccccn21 ZINC000093622132 193275770 /nfs/dbraw/zinc/27/57/70/193275770.db2.gz UTZVOLYEQMMPFG-IUODEOHRSA-N 1 0 306.435 1.962 10 0 DDAERO Cc1nnc(SCC[C@H]2CCC[C@@]2(CO)[NH2+]C2CC2)n1C ZINC000093622276 193275811 /nfs/dbraw/zinc/27/58/11/193275811.db2.gz OEHKOIBNDUBAJY-DOMZBBRYSA-N 1 0 310.467 1.889 10 0 DDAERO CS(=O)(=O)c1ccc(OCC[C@H]2CCC[C@@]2(O)C[NH3+])cc1 ZINC000093628240 193276104 /nfs/dbraw/zinc/27/61/04/193276104.db2.gz UFDCJOVFOWZRON-IUODEOHRSA-N 1 0 313.419 1.349 10 0 DDAERO COC(=O)[C@]1([NH3+])CCC[C@@H]1CCSc1nnc(C)s1 ZINC000093629691 193276294 /nfs/dbraw/zinc/27/62/94/193276294.db2.gz ITGCVEHQHDOGIC-SKDRFNHKSA-N 1 0 301.437 1.999 10 0 DDAERO COc1cccc(C[NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000093696390 193291655 /nfs/dbraw/zinc/29/16/55/193291655.db2.gz CHWGNCIJAFJLKK-CQSZACIVSA-N 1 0 312.435 1.456 10 0 DDAERO CS(=O)(=O)N1CCC[C@H](C[NH2+][C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000093696703 193292156 /nfs/dbraw/zinc/29/21/56/193292156.db2.gz ADUOUDTVEPBSSL-FVQBIDKESA-N 1 0 308.447 1.804 10 0 DDAERO CS(=O)(=O)N1CCC[C@H](C[C@@H]2Cc3ccccc3[C@@H]2[NH3+])C1 ZINC000093698045 193292572 /nfs/dbraw/zinc/29/25/72/193292572.db2.gz YBSWZWRLAXSPDR-XNRPHZJLSA-N 1 0 308.447 1.920 10 0 DDAERO CCC[NH2+][C@H](CSC)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700249 193294126 /nfs/dbraw/zinc/29/41/26/193294126.db2.gz DPHJPIWQCHJJHJ-OLZOCXBDSA-N 1 0 308.513 1.779 10 0 DDAERO CC[C@H](C)SC[C@H]([NH3+])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700490 193294342 /nfs/dbraw/zinc/29/43/42/193294342.db2.gz SKSYLWDHWNHBIL-RWMBFGLXSA-N 1 0 308.513 1.907 10 0 DDAERO CC[C@@H]1C[NH2+]C(C)(C)CN1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702623 193295509 /nfs/dbraw/zinc/29/55/09/193295509.db2.gz DABJXMIAUIHVKL-UONOGXRCSA-N 1 0 317.499 1.120 10 0 DDAERO Cc1nn([C@@H]2CCC[C@@]([NH3+])(C(N)=O)C2)c(C)c1Br ZINC000093759774 193301323 /nfs/dbraw/zinc/30/13/23/193301323.db2.gz RJDAUYXLFGPGBM-SKDRFNHKSA-N 1 0 315.215 1.560 10 0 DDAERO Cc1cc(N)cc(C)c1S(=O)(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000093648738 193285117 /nfs/dbraw/zinc/28/51/17/193285117.db2.gz NOCYWLMLRLLXIY-CQSZACIVSA-N 1 0 311.451 1.600 10 0 DDAERO COC(=O)[C@@]1([NH3+])CC[C@@H](n2nc(C)c(Br)c2C)C1 ZINC000093833795 193314784 /nfs/dbraw/zinc/31/47/84/193314784.db2.gz KFDVSLUZFDUSQK-BXKDBHETSA-N 1 0 316.199 1.858 10 0 DDAERO CCN(CC(C)(C)C[NH3+])C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000093877303 193322040 /nfs/dbraw/zinc/32/20/40/193322040.db2.gz QCBICWKVHLBPBN-UHFFFAOYSA-N 1 0 312.435 1.537 10 0 DDAERO CCc1nn(CC)c(C[C@H]([NH3+])[C@@H]2CN(C)CCN2C)c1Cl ZINC000093894218 193323772 /nfs/dbraw/zinc/32/37/72/193323772.db2.gz QHRAKRLUFWZWGD-FZMZJTMJSA-N 1 0 313.877 1.234 10 0 DDAERO CCCOc1cccc([C@@H](C[NH3+])N(C)CCS(C)(=O)=O)c1 ZINC000094297789 193356717 /nfs/dbraw/zinc/35/67/17/193356717.db2.gz OELNACXISFADBC-OAHLLOKOSA-N 1 0 314.451 1.452 10 0 DDAERO C[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N(C)CCS(C)(=O)=O ZINC000094297336 193356780 /nfs/dbraw/zinc/35/67/80/193356780.db2.gz KAXXABOPSMJUOG-GZMMTYOYSA-N 1 0 310.872 1.766 10 0 DDAERO CN(CCS(C)(=O)=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000094297587 193356858 /nfs/dbraw/zinc/35/68/58/193356858.db2.gz WACBPWOZJILKHG-MGPQQGTHSA-N 1 0 304.500 1.753 10 0 DDAERO C[NH2+][C@@H](C)c1ccc(OC)c(CN(C)CCS(C)(=O)=O)c1 ZINC000094298035 193357002 /nfs/dbraw/zinc/35/70/02/193357002.db2.gz SWVOYWTUEPAEEP-LBPRGKRZSA-N 1 0 314.451 1.452 10 0 DDAERO C[NH2+][C@@H](CCN(C)CCS(C)(=O)=O)c1ccccc1Cl ZINC000094300494 193358528 /nfs/dbraw/zinc/35/85/28/193358528.db2.gz NNHMCQNPTZPYJL-AWEZNQCLSA-N 1 0 318.870 1.967 10 0 DDAERO CC(C)[NH2+]Cc1nc(N(C)CCS(C)(=O)=O)ccc1Cl ZINC000094300756 193358659 /nfs/dbraw/zinc/35/86/59/193358659.db2.gz GQWRSKOLQVZPEJ-UHFFFAOYSA-N 1 0 319.858 1.714 10 0 DDAERO CCC[NH2+][C@H]1CCOC[C@H]1S(=O)(=O)c1cccc(F)c1 ZINC000094625102 193385624 /nfs/dbraw/zinc/38/56/24/193385624.db2.gz RTXHZJWMVFPUPN-UONOGXRCSA-N 1 0 301.383 1.757 10 0 DDAERO CC(C)([C@H]([NH3+])[C@H]1CCC[C@H](S(C)(=O)=O)C1)N1CCCC1 ZINC000094642885 193389081 /nfs/dbraw/zinc/38/90/81/193389081.db2.gz OUIAKRAJIHQYMV-MELADBBJSA-N 1 0 302.484 1.792 10 0 DDAERO CS(=O)(=O)[C@H]1CCC[C@H]([N@H+](CCO)Cc2ccccc2)C1 ZINC000094643696 193389572 /nfs/dbraw/zinc/38/95/72/193389572.db2.gz FQRKTIHUAWXWTE-HOTGVXAUSA-N 1 0 311.447 1.837 10 0 DDAERO CC[NH2+]C[C@@H]1CCCN([C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000094644257 193389698 /nfs/dbraw/zinc/38/96/98/193389698.db2.gz FCSGAKNTPLMFAP-ZNMIVQPWSA-N 1 0 302.484 1.664 10 0 DDAERO COC(=O)CCN(CC(F)(F)F)C(=O)[C@H](C[NH3+])CC(C)C ZINC000094698735 193391474 /nfs/dbraw/zinc/39/14/74/193391474.db2.gz NAHUWPDAYILFTA-JTQLQIEISA-N 1 0 312.332 1.561 10 0 DDAERO Cc1ccc(NC(=O)[C@@H](C[NH3+])CC(C)C)cc1S(N)(=O)=O ZINC000094699442 193391732 /nfs/dbraw/zinc/39/17/32/193391732.db2.gz PGTGAAXCPMCUOD-LLVKDONJSA-N 1 0 313.423 1.202 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000094680147 193391850 /nfs/dbraw/zinc/39/18/50/193391850.db2.gz XCBGHTIIZMGHPD-OAHLLOKOSA-N 1 0 307.463 1.965 10 0 DDAERO C[C@H](CN1CCOCC1)[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000094369995 193366400 /nfs/dbraw/zinc/36/64/00/193366400.db2.gz KPMUHXFJBJKHMK-HUUCEWRRSA-N 1 0 314.495 1.742 10 0 DDAERO C(C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1)CN1CCOCC1 ZINC000094367269 193366705 /nfs/dbraw/zinc/36/67/05/193366705.db2.gz ODRXNDVODDXACQ-HUUCEWRRSA-N 1 0 300.468 1.353 10 0 DDAERO CC[NH2+][C@@H]1[C@@H](CN(C)CCS(C)(=O)=O)C(C)(C)OC1(C)C ZINC000094430113 193368592 /nfs/dbraw/zinc/36/85/92/193368592.db2.gz UARQFHCRDNNMJR-CHWSQXEVSA-N 1 0 320.499 1.145 10 0 DDAERO C[N@@H+]1CC[C@H](CNc2nc(Br)cn3ccnc23)C1 ZINC000094487840 193372311 /nfs/dbraw/zinc/37/23/11/193372311.db2.gz UOOJMIFSIITWLT-SECBINFHSA-N 1 0 310.199 1.855 10 0 DDAERO C[NH+](C)[C@H]1CCN(c2nc(Br)cn3ccnc23)C1 ZINC000094490970 193373513 /nfs/dbraw/zinc/37/35/13/193373513.db2.gz VOGUGXQHIRYEGC-VIFPVBQESA-N 1 0 310.199 1.632 10 0 DDAERO CCc1nn(C)c(C[C@@H]([NH2+]C)[C@H]2CSCCO2)c1Cl ZINC000094503005 193374298 /nfs/dbraw/zinc/37/42/98/193374298.db2.gz FXMLMAYLEYRZGW-ZYHUDNBSSA-N 1 0 303.859 1.898 10 0 DDAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)NCc2ccccc2Br)O1 ZINC000094570606 193380922 /nfs/dbraw/zinc/38/09/22/193380922.db2.gz DSASGLDZEPSNLC-JQWIXIFHSA-N 1 0 313.195 1.572 10 0 DDAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H]1CC[C@@H](C[NH3+])O1 ZINC000094571966 193381481 /nfs/dbraw/zinc/38/14/81/193381481.db2.gz APHLLPAKSJPIIH-ONGXEEELSA-N 1 0 312.391 1.678 10 0 DDAERO CN(CC(=O)NCC(F)(F)F)C(=O)[C@H]1CCCCC[C@H]1[NH3+] ZINC000094751522 193395500 /nfs/dbraw/zinc/39/55/00/193395500.db2.gz DNMGIQZQCMVJOX-VHSXEESVSA-N 1 0 309.332 1.031 10 0 DDAERO [NH3+]Cc1cc(Br)ccc1O[C@H]1CCCCNC1=O ZINC000020483436 182223317 /nfs/dbraw/zinc/22/33/17/182223317.db2.gz CXXUYAMTCGDNSH-LBPRGKRZSA-N 1 0 313.195 1.955 10 0 DDAERO O=S(=O)(Nc1cccc(C(F)(F)F)c1)N1CC[NH2+]CC1 ZINC000021508484 182276838 /nfs/dbraw/zinc/27/68/38/182276838.db2.gz WWTUBEHZMDOXJG-UHFFFAOYSA-N 1 0 309.313 1.267 10 0 DDAERO C[NH+](C)CCCNC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 ZINC000027936738 182499402 /nfs/dbraw/zinc/49/94/02/182499402.db2.gz RWWSBXDBESFFOZ-UHFFFAOYSA-N 1 0 318.343 1.847 10 0 DDAERO C[C@H](OCc1ccccc1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000404555005 307297951 /nfs/dbraw/zinc/29/79/51/307297951.db2.gz SOYAUUMZFQXQFL-JQWIXIFHSA-N 1 0 304.312 1.988 10 0 DDAERO COc1cc(C[NH3+])cc(Br)c1OC[C@H](C)C(N)=O ZINC000036814910 182844581 /nfs/dbraw/zinc/84/45/81/182844581.db2.gz SKQHPCCPWBYOSK-ZETCQYMHSA-N 1 0 317.183 1.417 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000173499235 248339575 /nfs/dbraw/zinc/33/95/75/248339575.db2.gz LGWRZTKFJNFVQU-RBSFLKMASA-N 1 0 316.401 1.724 10 0 DDAERO [NH3+]CC1CN([C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000039952181 183024045 /nfs/dbraw/zinc/02/40/45/183024045.db2.gz FOCCGVWNUFVKGJ-MRXNPFEDSA-N 1 0 303.406 1.678 10 0 DDAERO COc1ccc2nc(NC(=O)[C@@H]3C[C@@H](OC)C[NH2+]3)sc2c1 ZINC000040630342 183111869 /nfs/dbraw/zinc/11/18/69/183111869.db2.gz WZBNJTXMLDJEJA-KOLCDFICSA-N 1 0 307.375 1.620 10 0 DDAERO COC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2C[C@H](OC)C[NH2+]2)c1 ZINC000040633201 183111942 /nfs/dbraw/zinc/11/19/42/183111942.db2.gz SVCHTNMXRAWBLN-CABZTGNLSA-N 1 0 312.753 1.442 10 0 DDAERO CN1CCN(Nc2[nH+]cnc(NC3CCCCC3)c2N)CC1 ZINC000040708507 183120694 /nfs/dbraw/zinc/12/06/94/183120694.db2.gz RAVZJJSAITWFRU-UHFFFAOYSA-N 1 0 305.430 1.378 10 0 DDAERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N[C@H]2CCCN(C)C2)cc1 ZINC000040716242 183123043 /nfs/dbraw/zinc/12/30/43/183123043.db2.gz YWRMHXJCWHZFIU-JSGCOSHPSA-N 1 0 311.451 1.340 10 0 DDAERO CC[C@H](NS(=O)(=O)N1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000040860858 183144373 /nfs/dbraw/zinc/14/43/73/183144373.db2.gz KBNSHYVLXZDSAK-ZDUSSCGKSA-N 1 0 317.842 1.531 10 0 DDAERO CC(=O)NCCC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000041309014 183185120 /nfs/dbraw/zinc/18/51/20/183185120.db2.gz RBJMJCFNZPOSER-CQSZACIVSA-N 1 0 311.813 1.585 10 0 DDAERO C[C@@H]1CN(S(=O)(=O)Cc2ccc(C[NH3+])cc2)CC(C)(C)O1 ZINC000041676020 183215192 /nfs/dbraw/zinc/21/51/92/183215192.db2.gz QGSIQHRUKOSUJI-GFCCVEGCSA-N 1 0 312.435 1.474 10 0 DDAERO C[C@H]([NH2+]Cc1ccc(Br)cc1)C(=O)NC(N)=O ZINC000042240111 183245895 /nfs/dbraw/zinc/24/58/95/183245895.db2.gz RIXSPYANXVEOSO-ZETCQYMHSA-N 1 0 300.156 1.122 10 0 DDAERO CC[NH2+]CCCN1C(=O)C(=O)c2cccc(Br)c21 ZINC000042410604 183264976 /nfs/dbraw/zinc/26/49/76/183264976.db2.gz CMOYXKRHMWAWCG-UHFFFAOYSA-N 1 0 311.179 1.978 10 0 DDAERO [NH3+]Cc1cccc(Br)c1OC[C@@H]1CNC(=O)O1 ZINC000042411395 183265538 /nfs/dbraw/zinc/26/55/38/183265538.db2.gz CGGPKAZMTYRJBU-QMMMGPOBSA-N 1 0 301.140 1.395 10 0 DDAERO COCCCN(CCOC)[C@H](C[NH3+])c1c(F)cccc1F ZINC000042421059 183267352 /nfs/dbraw/zinc/26/73/52/183267352.db2.gz FUTYKDCNRQIIKQ-CQSZACIVSA-N 1 0 302.365 1.950 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(CCO)C(C)C)cc1 ZINC000042481170 183275261 /nfs/dbraw/zinc/27/52/61/183275261.db2.gz USVGRQDLAHGLBO-UHFFFAOYSA-N 1 0 300.424 1.188 10 0 DDAERO CC(C)[NH2+]CCCS(=O)(=O)N(CCO)C1CCCCC1 ZINC000042526721 183280071 /nfs/dbraw/zinc/28/00/71/183280071.db2.gz DSGWAJBAPSDPAS-UHFFFAOYSA-N 1 0 306.472 1.331 10 0 DDAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)s1)N(C)CC(=O)NCCOC ZINC000043242786 183346373 /nfs/dbraw/zinc/34/63/73/183346373.db2.gz GWNHLAQQQDOEHN-WFASDCNBSA-N 1 0 313.467 1.529 10 0 DDAERO CNC(=O)CN(C)[C@@H](c1cc(Br)cs1)[C@@H](C)[NH3+] ZINC000043285426 183350349 /nfs/dbraw/zinc/35/03/49/183350349.db2.gz SKWWBKSNCFMNJP-RDDDGLTNSA-N 1 0 320.256 1.577 10 0 DDAERO [NH3+][C@H](c1cc2c(c(Cl)c1)OCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000043300082 183352101 /nfs/dbraw/zinc/35/21/01/183352101.db2.gz XMWVAZMLCRKJTG-HQJQHLMTSA-N 1 0 303.767 1.503 10 0 DDAERO C[C@@H]([NH3+])[C@@H](Oc1ccc(S(C)(=O)=O)cc1)c1ccccn1 ZINC000043343867 183356249 /nfs/dbraw/zinc/35/62/49/183356249.db2.gz MFJLVNXIBJNGJR-IAQYHMDHSA-N 1 0 306.387 1.952 10 0 DDAERO CN(C)C(=O)CN(C)[C@@H](C[NH3+])c1ccccc1Br ZINC000043091493 183335647 /nfs/dbraw/zinc/33/56/47/183335647.db2.gz SFTXJGFLLXQQRF-LBPRGKRZSA-N 1 0 314.227 1.469 10 0 DDAERO C[C@@H](C[C@@H](C[NH3+])N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000043534852 183369909 /nfs/dbraw/zinc/36/99/09/183369909.db2.gz KZEOYPYPGUPSGR-IMJJTQAJSA-N 1 0 310.463 1.626 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H](O)Cc1ccccc1 ZINC000105148406 194079801 /nfs/dbraw/zinc/07/98/01/194079801.db2.gz VAISFYKFWIDOFD-SJORKVTESA-N 1 0 321.465 1.866 10 0 DDAERO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105799153 194131578 /nfs/dbraw/zinc/13/15/78/194131578.db2.gz JCPNJAJCFZGCNH-CYBMUJFWSA-N 1 0 305.426 1.292 10 0 DDAERO CC(C)c1nnc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)n1C ZINC000105862741 194149944 /nfs/dbraw/zinc/14/99/44/194149944.db2.gz QCDSZYRDVCHAFS-AWEZNQCLSA-N 1 0 323.485 1.463 10 0 DDAERO CN(Cc1nccn1C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863512 194150343 /nfs/dbraw/zinc/15/03/43/194150343.db2.gz AMXWWSNZRWXIIC-UHFFFAOYSA-N 1 0 302.426 1.213 10 0 DDAERO COCC[N@@H+]1CCN(C[C@H](O)c2cc(F)ccc2F)C[C@@H]1C ZINC000105833827 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C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cc(N)ccc1Cl ZINC000049554745 183740829 /nfs/dbraw/zinc/74/08/29/183740829.db2.gz VFWHLIDAWYZDGW-VIFPVBQESA-N 1 0 305.831 1.541 10 0 DDAERO O=S(=O)(N[C@@H]1CC[NH2+]C2(CCCCC2)C1)C1CCOCC1 ZINC000050200162 183777867 /nfs/dbraw/zinc/77/78/67/183777867.db2.gz KWSZURBNFGVQAG-CYBMUJFWSA-N 1 0 316.467 1.540 10 0 DDAERO CC[C@@H](C[NH3+])N1CCN(S(=O)(=O)CC2CCCCC2)CC1 ZINC000109450922 194264532 /nfs/dbraw/zinc/26/45/32/194264532.db2.gz ZOXJWUKPGIORPH-HNNXBMFYSA-N 1 0 317.499 1.251 10 0 DDAERO CC(C)(C(N)=S)[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC000109465571 194265957 /nfs/dbraw/zinc/26/59/57/194265957.db2.gz YUWJULJJYFDQRN-UHFFFAOYSA-N 1 0 309.410 1.648 10 0 DDAERO CCCCOC(=O)CN1CC[NH+]([C@@H](CC)C(N)=S)CC1 ZINC000109469243 194267068 /nfs/dbraw/zinc/26/70/68/194267068.db2.gz DRXCIWVDCKOZJR-LBPRGKRZSA-N 1 0 301.456 1.012 10 0 DDAERO CCC[NH2+][C@](C)(CCCCSc1nnc(C)n1C)C(N)=O ZINC000110034437 194305099 /nfs/dbraw/zinc/30/50/99/194305099.db2.gz FUHNNLCKXXSJSJ-CQSZACIVSA-N 1 0 313.471 1.630 10 0 DDAERO CCC[NH2+][C@H](CCN(C)[C@@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000054028108 183920301 /nfs/dbraw/zinc/92/03/01/183920301.db2.gz WLPZUHWRINPZBF-ZIAGYGMSSA-N 1 0 304.500 1.910 10 0 DDAERO C[C@@H]1C(=O)NCCN1[C@@H](C[NH3+])c1ccccc1Br ZINC000110655255 194346859 /nfs/dbraw/zinc/34/68/59/194346859.db2.gz IDJZCYIMUPOXAR-SKDRFNHKSA-N 1 0 312.211 1.269 10 0 DDAERO NC(=S)C[NH+]1CCC(NC(=O)c2c(F)cccc2F)CC1 ZINC000110826057 194361669 /nfs/dbraw/zinc/36/16/69/194361669.db2.gz KFGZNVXMGBOUAT-UHFFFAOYSA-N 1 0 313.373 1.445 10 0 DDAERO CCOc1ccc(S(=O)(=O)N(C)[C@H]2CCC[NH2+]C2)cc1C ZINC000110927912 194370356 /nfs/dbraw/zinc/37/03/56/194370356.db2.gz NDUXPUFFSSPTGA-ZDUSSCGKSA-N 1 0 312.435 1.766 10 0 DDAERO CCCN([C@H]1CCC[NH2+]C1)S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000110942313 194372555 /nfs/dbraw/zinc/37/25/55/194372555.db2.gz KZCNIBQTOWWDJS-ZNMIVQPWSA-N 1 0 317.499 1.673 10 0 DDAERO COc1ccccc1[C@@H](SCCS(C)(=O)=O)[C@H](C)[NH3+] ZINC000111004608 194381338 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10 0 DDAERO CCOC(=O)c1ccc(CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)o1 ZINC000245697377 408047102 /nfs/dbraw/zinc/04/71/02/408047102.db2.gz CLXXUDCSACUCMJ-QWHCGFSZSA-N 1 0 310.394 1.343 10 0 DDAERO CO[C@H](C)c1nc(C)c(-c2nc([C@@H]3C[NH2+]CCN3C)no2)s1 ZINC000263187831 408051711 /nfs/dbraw/zinc/05/17/11/408051711.db2.gz HOEVVKALUBLXBY-ZJUUUORDSA-N 1 0 323.422 1.785 10 0 DDAERO CCC1(CC)CN(CN2CC[N@H+](CCOC)[C@@H](C)C2)C(=O)O1 ZINC000245514934 408005469 /nfs/dbraw/zinc/00/54/69/408005469.db2.gz CRIQBAIBCICGLL-AWEZNQCLSA-N 1 0 313.442 1.607 10 0 DDAERO CC(C)n1cnc(S(=O)(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000245544666 408011179 /nfs/dbraw/zinc/01/11/79/408011179.db2.gz MKWBZDDWMUPUDC-QWHCGFSZSA-N 1 0 314.455 1.471 10 0 DDAERO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC(F)(F)CN1)c1ccsc1 ZINC000263052683 408012122 /nfs/dbraw/zinc/01/21/22/408012122.db2.gz USGZGZDSMIMJDN-WDEREUQCSA-N 1 0 303.378 1.464 10 0 DDAERO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@H]2C)cc1 ZINC000189433986 408015696 /nfs/dbraw/zinc/01/56/96/408015696.db2.gz OEWCDAHMXSFNNV-DOMZBBRYSA-N 1 0 303.406 1.992 10 0 DDAERO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000263211849 408058756 /nfs/dbraw/zinc/05/87/56/408058756.db2.gz KKEBJUYUTJMCCT-RHSMWYFYSA-N 1 0 318.421 1.764 10 0 DDAERO CN1CC[NH2+]C[C@H]1c1noc(CCOCc2ccccc2)n1 ZINC000263227204 408065840 /nfs/dbraw/zinc/06/58/40/408065840.db2.gz MZIUZAJSHXHIKX-AWEZNQCLSA-N 1 0 302.378 1.405 10 0 DDAERO CCOCCO[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000119441810 408069974 /nfs/dbraw/zinc/06/99/74/408069974.db2.gz WDTHNBRVJAOITO-LSDHHAIUSA-N 1 0 300.443 1.665 10 0 DDAERO CCc1ccccc1OCc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263290181 408093893 /nfs/dbraw/zinc/09/38/93/408093893.db2.gz VPGPKIOPYXOPCP-ZDUSSCGKSA-N 1 0 302.378 1.787 10 0 DDAERO Cc1noc(CCCC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)n1 ZINC000119569479 408098137 /nfs/dbraw/zinc/09/81/37/408098137.db2.gz MEEWTCHJZGKOBN-CQSZACIVSA-N 1 0 308.426 1.937 10 0 DDAERO CCn1cc(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)cn1 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Cc1ccc(C)c(NC(=O)[C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)c1 ZINC000105933200 281051605 /nfs/dbraw/zinc/05/16/05/281051605.db2.gz KBQIRUZPJWBKDG-CABCVRRESA-N 1 0 305.422 1.551 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)c2c[nH]c(=O)cc2C)C[C@@H]1CC ZINC000130440286 281381529 /nfs/dbraw/zinc/38/15/29/281381529.db2.gz QWORXDCYJDXSGE-AWEZNQCLSA-N 1 0 321.421 1.256 10 0 DDAERO Cc1nc(C)n(C[C@H]2CCCN(C(=O)[C@@H]3CCC[C@@H]3C[NH3+])C2)n1 ZINC000261670554 281884514 /nfs/dbraw/zinc/88/45/14/281884514.db2.gz GAVCNEZYNOHCFW-ARFHVFGLSA-N 1 0 319.453 1.509 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(C(=O)CCOCc2ccccc2)C[C@@H]1C ZINC000246840641 282017831 /nfs/dbraw/zinc/01/78/31/282017831.db2.gz UIGUHRWZNMUWKP-HOTGVXAUSA-N 1 0 320.433 1.507 10 0 DDAERO COC(=O)C1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000247653769 282065242 /nfs/dbraw/zinc/06/52/42/282065242.db2.gz NRXUZBUJEITFAL-XSCHDIRWSA-N 1 0 310.438 1.764 10 0 DDAERO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000089091863 295257493 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COc1cc(Cl)ccc1S(=O)(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000234816434 484175238 /nfs/dbraw/zinc/17/52/38/484175238.db2.gz JJPQMIMFUOBJMX-WPRPVWTQSA-N 1 0 304.799 1.316 10 0 DDAERO CC(C)[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1nnc2ccccn21 ZINC000261848390 484257462 /nfs/dbraw/zinc/25/74/62/484257462.db2.gz VNGHHZWKGDRSFH-NFAWXSAZSA-N 1 0 315.421 1.918 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)C1(c2cccc(F)c2)CCCCC1 ZINC000262094564 484262692 /nfs/dbraw/zinc/26/26/92/484262692.db2.gz DGVAFLFCAVOLOL-CJNGLKHVSA-N 1 0 320.408 1.724 10 0 DDAERO O=C(COc1ccc(Cl)c(Cl)c1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262235392 484265794 /nfs/dbraw/zinc/26/57/94/484265794.db2.gz KMSWKEJLQASSFE-UFBFGSQYSA-N 1 0 319.188 1.069 10 0 DDAERO Cc1nc(-c2ccccc2)c(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)s1 ZINC000262284075 484267399 /nfs/dbraw/zinc/26/73/99/484267399.db2.gz ODEUMKKPTNTFTA-OLZOCXBDSA-N 1 0 317.414 1.429 10 0 DDAERO COc1ccc(Br)cc1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000259289716 490708685 /nfs/dbraw/zinc/70/86/85/490708685.db2.gz VLIXSRWXRMNDSZ-VIFPVBQESA-N 1 0 313.195 1.797 10 0 DDAERO CS(=O)(=O)CCCOc1ccccc1N1CCC[C@@H]([NH3+])C1 ZINC000063017728 536919563 /nfs/dbraw/zinc/91/95/63/536919563.db2.gz RQCIDSDAZLOZNQ-CYBMUJFWSA-N 1 0 312.435 1.428 10 0 DDAERO Cc1ccccc1C(=O)N[C@@H](C(=O)N1CC[NH2+]CC1)C(C)C ZINC000020184066 696070171 /nfs/dbraw/zinc/07/01/71/696070171.db2.gz KQIXYXRBDNXLGJ-OAHLLOKOSA-N 1 0 303.406 1.181 10 0 DDAERO O[C@@H](C[NH2+]C[C@H]1COCCO1)c1ccc(C(F)(F)F)cc1 ZINC000038061537 696135829 /nfs/dbraw/zinc/13/58/29/696135829.db2.gz SXAFPNUQHPCPNS-STQMWFEESA-N 1 0 305.296 1.744 10 0 DDAERO O=S(=O)(/C=C/c1ccc(Cl)cc1)NC[C@H]1CC[NH2+]C1 ZINC000133739594 696829712 /nfs/dbraw/zinc/82/97/12/696829712.db2.gz JHEPXXHZKNBDTI-WMADIVHISA-N 1 0 300.811 1.840 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(C[C@H](O)c2cc(C)cc(C)c2)CC1 ZINC000174075408 697383639 /nfs/dbraw/zinc/38/36/39/697383639.db2.gz MDCHNOIRCQGDDS-MSOLQXFVSA-N 1 0 306.450 1.725 10 0 DDAERO COCC[N@@H+]1CCN(C[C@@H](O)c2cc(C)cc(C)c2)C[C@H]1C ZINC000174782445 697391896 /nfs/dbraw/zinc/39/18/96/697391896.db2.gz FBURWAASZDEJRB-SJLPKXTDSA-N 1 0 306.450 1.989 10 0 DDAERO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)Nc2ccccc2)C1 ZINC000178990304 697432154 /nfs/dbraw/zinc/43/21/54/697432154.db2.gz WEHVIJHEUKQEMC-OLZOCXBDSA-N 1 0 304.394 1.265 10 0 DDAERO C[C@@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1ccccc1Cl ZINC000187645046 697547955 /nfs/dbraw/zinc/54/79/55/697547955.db2.gz FZHZDIWLMSHIKE-SNVBAGLBSA-N 1 0 302.827 1.882 10 0 DDAERO C[C@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1ccc(Cl)s1 ZINC000187643680 697548070 /nfs/dbraw/zinc/54/80/70/697548070.db2.gz YCNDSBMJLDEVFR-QMMMGPOBSA-N 1 0 308.856 1.944 10 0 DDAERO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000188535670 697560945 /nfs/dbraw/zinc/56/09/45/697560945.db2.gz VEBIMCCAOVXOTP-ARFHVFGLSA-N 1 0 324.371 1.798 10 0 DDAERO C=Cn1cc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000194315343 697704828 /nfs/dbraw/zinc/70/48/28/697704828.db2.gz WRGAXQIAQGVODO-HUUCEWRRSA-N 1 0 318.333 1.076 10 0 DDAERO Cc1ccc2c(cnn2CCC(=O)N[C@H]2C[NH+]3CCC2CC3)c1 ZINC000222559739 697757580 /nfs/dbraw/zinc/75/75/80/697757580.db2.gz QKLBGSFTMLIWEM-INIZCTEOSA-N 1 0 312.417 1.945 10 0 DDAERO Cc1cc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)nc(N2CCCC2)n1 ZINC000222566501 697758072 /nfs/dbraw/zinc/75/80/72/697758072.db2.gz WZHTWKMPZULPMX-OAHLLOKOSA-N 1 0 315.421 1.209 10 0 DDAERO Cc1cccc2c1cnn2CCC(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000222560499 697758136 /nfs/dbraw/zinc/75/81/36/697758136.db2.gz GYLSKYOMUGGDTQ-MRXNPFEDSA-N 1 0 312.417 1.945 10 0 DDAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000236595278 697796556 /nfs/dbraw/zinc/79/65/56/697796556.db2.gz DYPDCHYDSZPEBM-HOCLYGCPSA-N 1 0 306.454 1.942 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](O)c2cccc(OC)c2)C1 ZINC000247600554 698368347 /nfs/dbraw/zinc/36/83/47/698368347.db2.gz UIYNUGFZAOROPM-GOEBONIOSA-N 1 0 321.421 1.512 10 0 DDAERO C[C@@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1ccccc1Br ZINC000261562732 698427927 /nfs/dbraw/zinc/42/79/27/698427927.db2.gz 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CC[C@H](C[NH3+])C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000087532921 185227672 /nfs/dbraw/zinc/22/76/72/185227672.db2.gz RZYYDTAPTPXVKU-OLZOCXBDSA-N 1 0 311.451 1.223 10 0 DDAERO CCC[NH2+][C@@](C)(CC(=O)OC)c1ccc(S(C)(=O)=O)cc1 ZINC000087552054 185228050 /nfs/dbraw/zinc/22/80/50/185228050.db2.gz FBBDEHJUUGXVQN-HNNXBMFYSA-N 1 0 313.419 1.868 10 0 DDAERO CCC[C@@H]1CC[C@@H]([NH2+]C)[C@H](S(=O)(=O)CCC(=O)OC)C1 ZINC000081974900 192347610 /nfs/dbraw/zinc/34/76/10/192347610.db2.gz SXGZWLVXZFEDLI-JHJVBQTASA-N 1 0 305.440 1.521 10 0 DDAERO CCOc1ccc(NS(=O)(=O)[C@@H]2CC[NH2+]C2)cc1OCC ZINC000088056143 185238511 /nfs/dbraw/zinc/23/85/11/185238511.db2.gz YVQZZOZMGNUAPU-GFCCVEGCSA-N 1 0 314.407 1.588 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)NCCCC1CCCCC1)C(C)C ZINC000183665505 539243061 /nfs/dbraw/zinc/24/30/61/539243061.db2.gz PQHJNZTUTYUXCN-MRXNPFEDSA-N 1 0 311.470 1.823 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(Br)cc2O)C1 ZINC000071140102 282200031 /nfs/dbraw/zinc/20/00/31/282200031.db2.gz BHTMMORGOYLJST-SNVBAGLBSA-N 1 0 313.195 1.931 10 0 DDAERO C[C@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)[C@H]1CCCO1 ZINC000183231682 539241331 /nfs/dbraw/zinc/24/13/31/539241331.db2.gz JIGIUZPDPIGTPF-SDDRHHMPSA-N 1 0 308.344 1.944 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)N(c1ccccc1)C(C)C)C(C)C ZINC000183639232 539242553 /nfs/dbraw/zinc/24/25/53/539242553.db2.gz LBLZBUAVSNFCAU-MRXNPFEDSA-N 1 0 305.422 1.788 10 0 DDAERO C[C@H]1CCCCN1S(=O)(=O)N1CC[NH2+]CC12CCCCC2 ZINC000088396235 185248333 /nfs/dbraw/zinc/24/83/33/185248333.db2.gz FMUHMTVEEXQVDF-AWEZNQCLSA-N 1 0 315.483 1.714 10 0 DDAERO CC[C@H](C(N)=S)S(=O)(=O)N[C@H](C)CCC[NH+](CC)CC ZINC000088487084 185253391 /nfs/dbraw/zinc/25/33/91/185253391.db2.gz JZOIMNHTJVBRFW-VXGBXAGGSA-N 1 0 323.528 1.481 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N(CC(F)(F)F)C2CC2)o1 ZINC000088544061 185256742 /nfs/dbraw/zinc/25/67/42/185256742.db2.gz ZIWUSWMOTWLLHV-UHFFFAOYSA-N 1 0 312.313 1.714 10 0 DDAERO CC[NH2+][C@@H](CS(=O)(=O)CCCOC)c1ccc(OC)cc1 ZINC000081986479 192349052 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CC[NH+]1CCC(N(C)S(=O)(=O)c2ccccc2CO)CC1 ZINC000088891819 185269657 /nfs/dbraw/zinc/26/96/57/185269657.db2.gz BRWDPEAUXSZHQZ-UHFFFAOYSA-N 1 0 312.435 1.284 10 0 DDAERO CC(C)CN(CC[NH+](C)C)S(=O)(=O)c1ccsc1CO ZINC000088892473 185269917 /nfs/dbraw/zinc/26/99/17/185269917.db2.gz JXHWULBKARHMJC-UHFFFAOYSA-N 1 0 320.480 1.449 10 0 DDAERO C[NH2+][C@@H](C[S@](=O)CCS(C)(=O)=O)c1ccc(C)cc1 ZINC000081993102 192352473 /nfs/dbraw/zinc/35/24/73/192352473.db2.gz RXYXFEAIIDEMHC-UGSOOPFHSA-N 1 0 303.449 1.049 10 0 DDAERO CCn1nc(C)c(Br)c1Cn1cc(C[NH2+]C)nn1 ZINC000090295382 185289790 /nfs/dbraw/zinc/28/97/90/185289790.db2.gz PCBJEGPYKJLIBR-UHFFFAOYSA-N 1 0 313.203 1.333 10 0 DDAERO C[C@H](c1nc2ccccc2s1)N1CCN(C2C[NH2+]C2)CC1 ZINC000090306645 185290104 /nfs/dbraw/zinc/29/01/04/185290104.db2.gz BRSBAXZNUVPMJS-GFCCVEGCSA-N 1 0 302.447 1.947 10 0 DDAERO O=C(c1cc(Br)cn1C1CC1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090321533 185290819 /nfs/dbraw/zinc/29/08/19/185290819.db2.gz NPNUFMNKUOSBCN-NXEZZACHSA-N 1 0 324.222 1.877 10 0 DDAERO COc1ccccc1S(=O)(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000090336944 185291790 /nfs/dbraw/zinc/29/17/90/185291790.db2.gz UVDCSGRKKMDAFI-NEPJUHHUSA-N 1 0 310.419 1.314 10 0 DDAERO [NH3+][C@H]1COC[C@H]1C(=O)Nc1ccc(Br)cc1F ZINC000090378624 185293725 /nfs/dbraw/zinc/29/37/25/185293725.db2.gz DNNPIRRBLQIVTR-APPZFPTMSA-N 1 0 303.131 1.500 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000090431629 185295886 /nfs/dbraw/zinc/29/58/86/185295886.db2.gz WTAMLTAHVISWRU-QWRGUYRKSA-N 1 0 304.268 1.758 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)NCc1ccc(Br)s1 ZINC000090435735 185296401 /nfs/dbraw/zinc/29/64/01/185296401.db2.gz RJQPPOOVZXQXIW-RKDXNWHRSA-N 1 0 319.224 1.361 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)N(C)Cc1nc2ccccc2s1 ZINC000090434712 185296439 /nfs/dbraw/zinc/29/64/39/185296439.db2.gz LYSNZTQGZCCNPL-PWSUYJOCSA-N 1 0 305.403 1.489 10 0 DDAERO CN(CCOc1ccc(Cl)cc1)C(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000090590510 185305377 /nfs/dbraw/zinc/30/53/77/185305377.db2.gz KTYWISDPARXTTM-HIFRSBDPSA-N 1 0 312.797 1.541 10 0 DDAERO C[NH2+][C@H]1c2cc(OC)ccc2CC[C@@H]1Sc1nnnn1C ZINC000092389643 185315525 /nfs/dbraw/zinc/31/55/25/185315525.db2.gz BHYKGIHRTVAYDY-STQMWFEESA-N 1 0 305.407 1.586 10 0 DDAERO C[C@H](NS(=O)(=O)CC[NH3+])c1ccc(Br)cc1 ZINC000049526336 190677932 /nfs/dbraw/zinc/67/79/32/190677932.db2.gz KNRQLYHWVLQRLY-QMMMGPOBSA-N 1 0 307.213 1.388 10 0 DDAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000111265132 185568071 /nfs/dbraw/zinc/56/80/71/185568071.db2.gz MBJWLAJBBXAKOC-KWQFWETISA-N 1 0 318.345 1.477 10 0 DDAERO C[C@@H]([NH3+])Cc1cc(F)c(N(C)[C@@H]2CCS(=O)(=O)C2)c(F)c1 ZINC000111495311 185609210 /nfs/dbraw/zinc/60/92/10/185609210.db2.gz CQPWCPGDDCHWSN-MWLCHTKSSA-N 1 0 318.389 1.478 10 0 DDAERO O=C(COC1CC[NH2+]CC1)N[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000111795920 185637696 /nfs/dbraw/zinc/63/76/96/185637696.db2.gz OXBRNGKCXHBUCH-VXGBXAGGSA-N 1 0 308.344 1.992 10 0 DDAERO C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)C[C@@H]1[NH3+] ZINC000235368095 201915420 /nfs/dbraw/zinc/91/54/20/201915420.db2.gz RDOUZCAOTQKFBO-APPZFPTMSA-N 1 0 309.218 1.961 10 0 DDAERO CCC(CC)(C[NH3+])NS(=O)(=O)c1ccc(OC)cc1OC ZINC000111832459 185640301 /nfs/dbraw/zinc/64/03/01/185640301.db2.gz OMHDPXOZCAZKLQ-UHFFFAOYSA-N 1 0 316.423 1.500 10 0 DDAERO C[C@@H]1C[N@H+](Cc2cnc(N)s2)CC[C@H]1NC(=O)C1(C)CC1 ZINC000725273100 539570857 /nfs/dbraw/zinc/57/08/57/539570857.db2.gz ZACPSSVIUYXGMR-ZYHUDNBSSA-N 1 0 308.451 1.852 10 0 DDAERO C[C@H]1CCC[C@H](C[NH3+])N1S(=O)(=O)c1c(F)cc(F)cc1F ZINC000070153889 190863378 /nfs/dbraw/zinc/86/33/78/190863378.db2.gz ILFNVNVWXPTSFJ-WCBMZHEXSA-N 1 0 322.352 1.994 10 0 DDAERO CC1CCC(CCNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)CC1 ZINC000070548940 190905989 /nfs/dbraw/zinc/90/59/89/190905989.db2.gz PXVHTMLNSVUHEI-WXRRBKDZSA-N 1 0 304.456 1.081 10 0 DDAERO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc2c(c1)NCC2 ZINC000071102066 190933630 /nfs/dbraw/zinc/93/36/30/190933630.db2.gz ZZWDYKJSFZMIOL-LBPRGKRZSA-N 1 0 311.451 1.663 10 0 DDAERO [NH3+]Cc1ccc(O[C@H]2CCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000071398274 190966644 /nfs/dbraw/zinc/96/66/44/190966644.db2.gz FGVMPWSUEQHTIZ-VIFPVBQESA-N 1 0 309.309 1.730 10 0 DDAERO CS(=O)(=O)c1ccc([S@@](=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000084056058 192397679 /nfs/dbraw/zinc/39/76/79/192397679.db2.gz CBLNTTWVPNYXPY-LXIYXOSZSA-N 1 0 301.433 1.468 10 0 DDAERO COc1ccc2c(c1)ncc(C(=O)N1CC[C@H]([NH+](C)C)C1)c2O ZINC000170859964 197838287 /nfs/dbraw/zinc/83/82/87/197838287.db2.gz NQMHDLMFSXIYQO-NSHDSACASA-N 1 0 315.373 1.725 10 0 DDAERO C[NH+](C)CCNS(=O)(=O)c1ccc(-c2ccccc2N)cc1 ZINC000071709494 191011675 /nfs/dbraw/zinc/01/16/75/191011675.db2.gz YMQVPZVBKBUZCX-UHFFFAOYSA-N 1 0 319.430 1.776 10 0 DDAERO C[NH+]1CCN(c2ccc(NC(=O)c3cccnc3N)cc2)CC1 ZINC000071700446 191009887 /nfs/dbraw/zinc/00/98/87/191009887.db2.gz ZHQPBFJOSBIZQN-UHFFFAOYSA-N 1 0 311.389 1.668 10 0 DDAERO C[NH2+]CC(=O)N1CCO[C@@H](c2ccc3cc(OC)ccc3c2)C1 ZINC000071765131 191027770 /nfs/dbraw/zinc/02/77/70/191027770.db2.gz VFRFDGATZGKNJZ-QGZVFWFLSA-N 1 0 314.385 1.968 10 0 DDAERO O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CNC(=O)C1 ZINC000145650004 186037067 /nfs/dbraw/zinc/03/70/67/186037067.db2.gz SFKQNMGDCYDJBT-CYBMUJFWSA-N 1 0 321.446 1.212 10 0 DDAERO O=C(Nc1ccc(-n2ccnn2)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171892762 198002820 /nfs/dbraw/zinc/00/28/20/198002820.db2.gz QNQITBIREKDBLU-HNNXBMFYSA-N 1 0 312.377 1.579 10 0 DDAERO COc1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000171901860 198005163 /nfs/dbraw/zinc/00/51/63/198005163.db2.gz KNCOLQJXCLQKCJ-ZDUSSCGKSA-N 1 0 307.369 1.824 10 0 DDAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000623764688 366044380 /nfs/dbraw/zinc/04/43/80/366044380.db2.gz ITPLMZMYRWWYSM-RYUDHWBXSA-N 1 0 304.159 1.828 10 0 DDAERO CSCC(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000172393636 198090101 /nfs/dbraw/zinc/09/01/01/198090101.db2.gz CGWJPEFSERBISU-INIZCTEOSA-N 1 0 322.474 1.911 10 0 DDAERO COC(=O)C1(c2ccccc2)CCN(C2CC[NH2+]CC2)CC1 ZINC000034422329 352291886 /nfs/dbraw/zinc/29/18/86/352291886.db2.gz VAGVNCLIGLVJQC-UHFFFAOYSA-N 1 0 302.418 1.945 10 0 DDAERO C[C@@H](C(=O)NCc1cccs1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172801997 198151327 /nfs/dbraw/zinc/15/13/27/198151327.db2.gz QALLLYIDTFWSQW-UONOGXRCSA-N 1 0 307.463 1.923 10 0 DDAERO CCCCN(C(=O)C[C@H]1CCC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000054307782 352685996 /nfs/dbraw/zinc/68/59/96/352685996.db2.gz RQKGYQNBQRQGJO-KGLIPLIRSA-N 1 0 316.467 1.192 10 0 DDAERO COCCOCc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1F ZINC000173500056 198221916 /nfs/dbraw/zinc/22/19/16/198221916.db2.gz NYGSGVDDJKLHKX-OAHLLOKOSA-N 1 0 324.396 1.765 10 0 DDAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000173806626 198254513 /nfs/dbraw/zinc/25/45/13/198254513.db2.gz SDURQSVUARSCOW-KBPBESRZSA-N 1 0 317.433 1.771 10 0 DDAERO [NH3+]CC1(Nc2ncncc2I)CCC1 ZINC000129855338 354086113 /nfs/dbraw/zinc/08/61/13/354086113.db2.gz YPDYWFCKMLFJQD-UHFFFAOYSA-N 1 0 304.135 1.375 10 0 DDAERO C[C@@H]1CN(c2ncc(I)cn2)CC[C@H]1[NH3+] ZINC000253177607 354385389 /nfs/dbraw/zinc/38/53/89/354385389.db2.gz QRDCRFALXLYSBZ-VXNVDRBHSA-N 1 0 318.162 1.255 10 0 DDAERO C[C@@H]1C[C@@H]([NH3+])CN1c1ncc(I)cn1 ZINC000306943661 354472693 /nfs/dbraw/zinc/47/26/93/354472693.db2.gz AGQDOPFNSTZWPC-HTRCEHHLSA-N 1 0 304.135 1.007 10 0 DDAERO Cc1cc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)c(C)o1 ZINC000328644769 354558196 /nfs/dbraw/zinc/55/81/96/354558196.db2.gz ZHRYIDCFLGVZGP-WMLDXEAASA-N 1 0 316.405 1.939 10 0 DDAERO Cc1ncccc1C[NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000328618682 354547588 /nfs/dbraw/zinc/54/75/88/354547588.db2.gz DXENWXGHFNNTNW-WMLDXEAASA-N 1 0 313.405 1.433 10 0 DDAERO OCCN1CCC[C@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC000395014525 354649783 /nfs/dbraw/zinc/64/97/83/354649783.db2.gz MYNJKRRLPWGVOM-AWEZNQCLSA-N 1 0 313.239 1.995 10 0 DDAERO C[C@@]1(C(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CCC[NH2+]1 ZINC000079515423 191947084 /nfs/dbraw/zinc/94/70/84/191947084.db2.gz VITMOVLYTQWKGQ-LBPRGKRZSA-N 1 0 317.798 1.068 10 0 DDAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)CCn1cccn1)CC2 ZINC000183932585 199652143 /nfs/dbraw/zinc/65/21/43/199652143.db2.gz CDNKRUURXCCXFV-ZIAGYGMSSA-N 1 0 302.426 1.981 10 0 DDAERO C[C@@H]1CCCCN1S(=O)(=O)N(C)c1cccc(C(N)=[NH2+])c1 ZINC000079784086 191972544 /nfs/dbraw/zinc/97/25/44/191972544.db2.gz RFJTZKHMVQTYCI-LLVKDONJSA-N 1 0 310.423 1.526 10 0 DDAERO NC(=[NH2+])C1(NS(=O)(=O)c2ccc(F)cc2F)CCCC1 ZINC000079782457 191972760 /nfs/dbraw/zinc/97/27/60/191972760.db2.gz UFNZZPQEYZWHGG-UHFFFAOYSA-N 1 0 303.334 1.492 10 0 DDAERO NC(=[NH2+])CN(C1CCCC1)S(=O)(=O)c1cncc(F)c1 ZINC000080224289 192013630 /nfs/dbraw/zinc/01/36/30/192013630.db2.gz NELAOVGNIHGIHB-UHFFFAOYSA-N 1 0 300.359 1.090 10 0 DDAERO CC(C)n1cc(Br)cc1C(=O)NC[C@@H]([NH3+])[C@@H](C)O ZINC000080696627 192183572 /nfs/dbraw/zinc/18/35/72/192183572.db2.gz XSNNVBWXNHHDMU-PSASIEDQSA-N 1 0 318.215 1.269 10 0 DDAERO C[C@H]1CCC[C@@]([NH3+])(C(=O)N2CCN(c3nccs3)CC2)C1 ZINC000080905383 192198959 /nfs/dbraw/zinc/19/89/59/192198959.db2.gz RYIAHDNMYOOLJZ-WFASDCNBSA-N 1 0 308.451 1.699 10 0 DDAERO CCOC(=O)[C@@H]1CSCCN1C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000080995948 192211205 /nfs/dbraw/zinc/21/12/05/192211205.db2.gz SPUFNSIBASYJGU-RYUDHWBXSA-N 1 0 300.424 1.026 10 0 DDAERO Cc1ncc(C[NH2+][C@H]2CCS(=O)(=O)C2)n1-c1ccccc1 ZINC000081293034 192246644 /nfs/dbraw/zinc/24/66/44/192246644.db2.gz BNVZNXGZTUMQOR-ZDUSSCGKSA-N 1 0 305.403 1.457 10 0 DDAERO C[C@@H]([NH3+])[C@H](N1CCn2c(nnc2C(F)(F)F)C1)C(F)(F)F ZINC000081530196 192285345 /nfs/dbraw/zinc/28/53/45/192285345.db2.gz XGDRXYZTRRDWQN-VDTYLAMSSA-N 1 0 317.237 1.391 10 0 DDAERO [NH3+]CC1(Nc2ncncc2I)CCCC1 ZINC000085466843 192509662 /nfs/dbraw/zinc/50/96/62/192509662.db2.gz NRKHGDDWISMHMV-UHFFFAOYSA-N 1 0 318.162 1.765 10 0 DDAERO C[NH2+]C[C@H]1CCCN1c1ncncc1I ZINC000085468226 192510040 /nfs/dbraw/zinc/51/00/40/192510040.db2.gz AJDTYZVJMQMKLG-MRVPVSSYSA-N 1 0 318.162 1.269 10 0 DDAERO CCCNC(=O)[C@@H](C)n1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000085574211 192517848 /nfs/dbraw/zinc/51/78/48/192517848.db2.gz VPNSIYSSWCBEJR-MRVPVSSYSA-N 1 0 304.316 1.635 10 0 DDAERO CCn1c2ccc([C@@H]([NH3+])[C@@H]3CCS(=O)(=O)C3)cc2oc1=O ZINC000086022481 192545314 /nfs/dbraw/zinc/54/53/14/192545314.db2.gz HYUNTALGMOAZLL-ZWNOBZJWSA-N 1 0 310.375 1.049 10 0 DDAERO CCOc1ccc(C(=O)N[C@H](C(=O)NCCC[NH3+])C(C)C)cc1 ZINC000237081412 202146997 /nfs/dbraw/zinc/14/69/97/202146997.db2.gz YTUSPOYEVSHNJY-HNNXBMFYSA-N 1 0 321.421 1.305 10 0 DDAERO CC[NH2+]Cc1cccc(CS(=O)(=O)N2CCO[C@@H](C)C2)c1 ZINC000088914301 192655400 /nfs/dbraw/zinc/65/54/00/192655400.db2.gz DECHWVBTKBGTLS-ZDUSSCGKSA-N 1 0 312.435 1.347 10 0 DDAERO CCC[NH2+]CC1CCN(S(=O)(=O)N(C)C[C@@H](C)CC)CC1 ZINC000088952832 192667822 /nfs/dbraw/zinc/66/78/22/192667822.db2.gz BUMBCALARLAWII-AWEZNQCLSA-N 1 0 319.515 1.921 10 0 DDAERO CCC[NH2+]CC1CCN(S(=O)(=O)N(CC)C2CC2)CC1 ZINC000088940859 192660906 /nfs/dbraw/zinc/66/09/06/192660906.db2.gz QOEABWOZMBRJQE-UHFFFAOYSA-N 1 0 303.472 1.427 10 0 DDAERO CC[NH2+]CCCn1nc(C)c(S(=O)(=O)N(C)C2CC2)c1C ZINC000088941148 192662848 /nfs/dbraw/zinc/66/28/48/192662848.db2.gz OKNCNSZQLXFXTA-UHFFFAOYSA-N 1 0 314.455 1.282 10 0 DDAERO CC[C@@H]1COCCN1S(=O)(=O)c1ccc(CCC[NH3+])cc1 ZINC000088969962 192674573 /nfs/dbraw/zinc/67/45/73/192674573.db2.gz RZQTXHNAYAGDAK-CQSZACIVSA-N 1 0 312.435 1.377 10 0 DDAERO CCC[NH2+]CCn1cc(S(=O)(=O)N2CCC[C@@H]2C)cn1 ZINC000088972088 192676299 /nfs/dbraw/zinc/67/62/99/192676299.db2.gz OLHQKNGPPBPAIE-LBPRGKRZSA-N 1 0 300.428 1.056 10 0 DDAERO CC[NH2+]Cc1cccc(CS(=O)(=O)N(C)CCOC)c1 ZINC000088992257 192685067 /nfs/dbraw/zinc/68/50/67/192685067.db2.gz RVJWOBSSFIPNPH-UHFFFAOYSA-N 1 0 300.424 1.204 10 0 DDAERO CC[NH2+]CCCN(C)S(=O)(=O)N(C)Cc1cccc(C)c1 ZINC000088987238 192683055 /nfs/dbraw/zinc/68/30/55/192683055.db2.gz ZMAKXSBRWUUFGU-UHFFFAOYSA-N 1 0 313.467 1.603 10 0 DDAERO C[C@@H]1CCC[C@H](N(C)S(=O)(=O)c2cnn(CCC[NH3+])c2)C1 ZINC000088995947 192687594 /nfs/dbraw/zinc/68/75/94/192687594.db2.gz SWRWERHSDDAUJF-OLZOCXBDSA-N 1 0 314.455 1.431 10 0 DDAERO O=C(NC1CC1)c1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000179312441 199013959 /nfs/dbraw/zinc/01/39/59/199013959.db2.gz UWWANNHOKGZPCV-INIZCTEOSA-N 1 0 313.401 1.499 10 0 DDAERO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N[C@@H]2C[C@@H]2C)CC1 ZINC000179963703 199100969 /nfs/dbraw/zinc/10/09/69/199100969.db2.gz FHKDCLNGCUVTAJ-WCQYABFASA-N 1 0 319.409 1.003 10 0 DDAERO C[NH2+]CC1CCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)CC1 ZINC000237339133 202236652 /nfs/dbraw/zinc/23/66/52/202236652.db2.gz BQUPDZBSLKEGDW-ZDUSSCGKSA-N 1 0 318.421 1.655 10 0 DDAERO CC[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc2c(c1)OCCO2 ZINC000180493989 199166919 /nfs/dbraw/zinc/16/69/19/199166919.db2.gz XTTDRSUIWUYYJX-LSDHHAIUSA-N 1 0 306.406 1.829 10 0 DDAERO C[NH2+]C[C@H](C)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000237350020 202239258 /nfs/dbraw/zinc/23/92/58/202239258.db2.gz JWQJOXNIHHKNBC-VHSXEESVSA-N 1 0 316.398 1.262 10 0 DDAERO CO[C@]1(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCOC1 ZINC000276636761 213016609 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Cc1nc(C[C@@H]2CCCN(C(=O)[C@H]([NH3+])c3ccccc3)C2)no1 ZINC000237772829 202350125 /nfs/dbraw/zinc/35/01/25/202350125.db2.gz MMWIGPMERFCHPS-XJKSGUPXSA-N 1 0 314.389 1.859 10 0 DDAERO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cnn3ccncc23)C1 ZINC000188732329 200295264 /nfs/dbraw/zinc/29/52/64/200295264.db2.gz STRASYPCRDAUAM-ZDUSSCGKSA-N 1 0 315.421 1.970 10 0 DDAERO COc1c(C[NH2+][C@H](CO)Cc2cccc(C)c2)c(C)nn1C ZINC000189003822 200333933 /nfs/dbraw/zinc/33/39/33/200333933.db2.gz PXRRRDIVJOFRQF-HNNXBMFYSA-N 1 0 303.406 1.739 10 0 DDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000193620299 201088265 /nfs/dbraw/zinc/08/82/65/201088265.db2.gz NGLKYMGIGKABPW-SMDDNHRTSA-N 1 0 317.368 1.336 10 0 DDAERO O=C(c1cnn2ccncc12)N1CC[NH+](C2CCCCC2)CC1 ZINC000193577325 201078879 /nfs/dbraw/zinc/07/88/79/201078879.db2.gz PGNADTFBINQOKS-UHFFFAOYSA-N 1 0 313.405 1.820 10 0 DDAERO CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000246172390 202570028 /nfs/dbraw/zinc/57/00/28/202570028.db2.gz 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O=C(C[NH2+]CC1CC1)N1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000262651931 203365191 /nfs/dbraw/zinc/36/51/91/203365191.db2.gz XGCQSXHGPMEEGO-KBPBESRZSA-N 1 0 324.446 1.399 10 0 DDAERO C[NH2+]Cc1cn(C)nc1-c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000093296896 193226678 /nfs/dbraw/zinc/22/66/78/193226678.db2.gz MBFGSYAZZRANHO-UHFFFAOYSA-N 1 0 315.345 1.803 10 0 DDAERO COc1cc(-c2n[nH]cc2C[NH3+])ccc1S(=O)(=O)C(F)F ZINC000093295427 193227019 /nfs/dbraw/zinc/22/70/19/193227019.db2.gz UGNATLOKUYYCIN-UHFFFAOYSA-N 1 0 317.317 1.540 10 0 DDAERO CS(=O)(=O)[C@@H]1CCC[C@]12CNC(=[NH2+])N2c1cccc(F)c1 ZINC000093389379 193242393 /nfs/dbraw/zinc/24/23/93/193242393.db2.gz XBUHDNJCMNRAMZ-OCCSQVGLSA-N 1 0 311.382 1.296 10 0 DDAERO C[C@H](C[C@@H]1CCCC[NH2+]1)NCc1cccc(S(N)(=O)=O)c1 ZINC000093486041 193258826 /nfs/dbraw/zinc/25/88/26/193258826.db2.gz VLQKHKTUMSTFHL-OCCSQVGLSA-N 1 0 311.451 1.344 10 0 DDAERO COc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)CCO2 ZINC000093522745 193263134 /nfs/dbraw/zinc/26/31/34/193263134.db2.gz PNKLUXGPYSSIJK-CYBMUJFWSA-N 1 0 313.419 1.932 10 0 DDAERO CC[C@@]1(C)CN(CC(C)(C)S(C)(=O)=O)[C@H](C(C)C)C[NH2+]1 ZINC000093525849 193264078 /nfs/dbraw/zinc/26/40/78/193264078.db2.gz UGQGOVBXYYHAGS-ZFWWWQNUSA-N 1 0 304.500 1.908 10 0 DDAERO [NH3+][C@@H]1CCC[C@H]1CCN1CCn2c(nnc2C(F)(F)F)C1 ZINC000093555758 193267000 /nfs/dbraw/zinc/26/70/00/193267000.db2.gz MBNBWLCLGXNVOB-VHSXEESVSA-N 1 0 303.332 1.630 10 0 DDAERO Cc1nnc(SCC[C@@H]2CCC[C@]2(CO)[NH2+]C2CC2)n1C ZINC000093622277 193275802 /nfs/dbraw/zinc/27/58/02/193275802.db2.gz OEHKOIBNDUBAJY-SWLSCSKDSA-N 1 0 310.467 1.889 10 0 DDAERO CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCSc1nccn1C ZINC000093628673 193276186 /nfs/dbraw/zinc/27/61/86/193276186.db2.gz RGZOIXYPLHRQSC-DOMZBBRYSA-N 1 0 310.467 1.925 10 0 DDAERO CCC[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)[C@@](C)(CC)CN ZINC000093695992 193291590 /nfs/dbraw/zinc/29/15/90/193291590.db2.gz VGLSEZYMCMDHKD-CABCVRRESA-N 1 0 319.515 1.497 10 0 DDAERO CS(=O)(=O)N1CCC[C@H](C[NH2+]Cc2cc(F)ccc2F)C1 ZINC000093696925 193292000 /nfs/dbraw/zinc/29/20/00/193292000.db2.gz SYAGKLURJHLCPN-LLVKDONJSA-N 1 0 318.389 1.726 10 0 DDAERO CS(=O)(=O)N1CCC[C@@H](CC2([NH3+])Cc3ccccc3C2)C1 ZINC000093699139 193293463 /nfs/dbraw/zinc/29/34/63/193293463.db2.gz MCTRVCSYKNFIMU-ZDUSSCGKSA-N 1 0 308.447 1.544 10 0 DDAERO COc1cccc([C@@H]([NH3+])C[C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000093699780 193294004 /nfs/dbraw/zinc/29/40/04/193294004.db2.gz PWUNYCLSIIHOQG-WFASDCNBSA-N 1 0 312.435 1.757 10 0 DDAERO Cc1csc(C[C@@H]([NH3+])C[C@@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000093700252 193294215 /nfs/dbraw/zinc/29/42/15/193294215.db2.gz KYRFOACXMCJIKS-RYUDHWBXSA-N 1 0 317.480 1.383 10 0 DDAERO CC[NH2+][C@@H](CCCOC)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700411 193294303 /nfs/dbraw/zinc/29/43/03/193294303.db2.gz BQHQQAVFSUSGMM-KGLIPLIRSA-N 1 0 306.472 1.453 10 0 DDAERO CCC(CC)[N@H+](CCO)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701184 193294913 /nfs/dbraw/zinc/29/49/13/193294913.db2.gz NDZHZUKXDVQXNY-CYBMUJFWSA-N 1 0 306.472 1.141 10 0 DDAERO CCC[C@@H]1C[NH2+][C@@H](C)CN1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702607 193295365 /nfs/dbraw/zinc/29/53/65/193295365.db2.gz DWPMAAQINDSQJN-SOUVJXGZSA-N 1 0 317.499 1.120 10 0 DDAERO CCN[C@]1(C(=O)OC)CCC[C@@H]([N@H+](CC)[C@@H](C)COC)C1 ZINC000093751461 193300413 /nfs/dbraw/zinc/30/04/13/193300413.db2.gz QNPVOIMQUXTQQA-SQWLQELKSA-N 1 0 300.443 1.807 10 0 DDAERO CC[NH2+][C@]1(C(N)=O)CCC[C@H](n2cc(C(F)(F)F)cn2)C1 ZINC000093760114 193301506 /nfs/dbraw/zinc/30/15/06/193301506.db2.gz HUIPQNUAVPQMNN-CMPLNLGQSA-N 1 0 304.316 1.851 10 0 DDAERO C[NH2+][C@@]1(C(N)=O)CCC[C@H](Sc2nnc(N(C)C)s2)C1 ZINC000093780189 193307667 /nfs/dbraw/zinc/30/76/67/193307667.db2.gz FNGDPFOVJZZTEJ-UFBFGSQYSA-N 1 0 315.468 1.082 10 0 DDAERO C[NH2+][C@]1(CO)CCC[C@H](Sc2nnc(N(C)C)s2)C1 ZINC000093786001 193307858 /nfs/dbraw/zinc/30/78/58/193307858.db2.gz HSNFQYQRJGHXGV-JOYOIKCWSA-N 1 0 302.469 1.589 10 0 DDAERO CC(C)[NH2+][C@]1(C(N)=O)CC[C@@H](N(CC(F)(F)F)C2CC2)C1 ZINC000093826340 193313504 /nfs/dbraw/zinc/31/35/04/193313504.db2.gz FICJQFOCLQZHOL-DGCLKSJQSA-N 1 0 307.360 1.788 10 0 DDAERO Cc1nn([C@H]2CC[C@]([NH3+])(C(N)=O)C2)c(C)c1Br ZINC000093833772 193314246 /nfs/dbraw/zinc/31/42/46/193314246.db2.gz NUDRDBOTAGXOTB-GZMMTYOYSA-N 1 0 301.188 1.170 10 0 DDAERO Cc1nnc(S[C@@H]2CC[C@@]([NH2+]C(C)C)(C(N)=O)C2)s1 ZINC000093851495 193318259 /nfs/dbraw/zinc/31/82/59/193318259.db2.gz PMNDCQJQVBYGLY-SKDRFNHKSA-N 1 0 300.453 1.713 10 0 DDAERO C[NH2+][C@@]1(CO)CC[C@@H](Sc2ccc(S(C)(=O)=O)cc2)C1 ZINC000093860122 193319786 /nfs/dbraw/zinc/31/97/86/193319786.db2.gz SJZQPPSXEUGUKR-OCCSQVGLSA-N 1 0 315.460 1.685 10 0 DDAERO CCN(CC(C)(C)C[NH3+])C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000093877469 193322022 /nfs/dbraw/zinc/32/20/22/193322022.db2.gz RMRVBSSXYSQAAY-UHFFFAOYSA-N 1 0 312.435 1.537 10 0 DDAERO CCn1nc(C)c(Cl)c1C[C@@H]([NH3+])[C@@H]1CN(CC)CCO1 ZINC000093913896 193327423 /nfs/dbraw/zinc/32/74/23/193327423.db2.gz JIKIZHJSAYTREX-YPMHNXCESA-N 1 0 300.834 1.455 10 0 DDAERO NC(=[NH2+])[C@@H]1CN(Cc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000093936755 193330634 /nfs/dbraw/zinc/33/06/34/193330634.db2.gz LTUFBKVZPDKGNA-NSHDSACASA-N 1 0 303.284 1.722 10 0 DDAERO CN(C)S(=O)(=O)c1ccc(OCC(C)(C)[NH+](C)C)c(N)c1 ZINC000093955008 193331820 /nfs/dbraw/zinc/33/18/20/193331820.db2.gz OMBHKYGYPKSSSK-UHFFFAOYSA-N 1 0 315.439 1.238 10 0 DDAERO CCC[NH2+][C@@H]1[C@@H](S(=O)(=O)CC(=O)OCC)CCCC1(C)C ZINC000094281785 193356019 /nfs/dbraw/zinc/35/60/19/193356019.db2.gz HWTGSDJKGPVZSU-GXTWGEPZSA-N 1 0 319.467 1.911 10 0 DDAERO CC[C@H]([NH3+])[C@H](c1ccc(F)cc1)N(C)CCS(C)(=O)=O ZINC000094297415 193357065 /nfs/dbraw/zinc/35/70/65/193357065.db2.gz OQLYOWYCIRKTGV-KBPBESRZSA-N 1 0 302.415 1.581 10 0 DDAERO Cc1oc(CN(C)CCS(C)(=O)=O)cc1C[NH2+]CC(C)C ZINC000094300898 193358638 /nfs/dbraw/zinc/35/86/38/193358638.db2.gz UEUKZMWRBHZTNQ-UHFFFAOYSA-N 1 0 316.467 1.810 10 0 DDAERO CC(C)C[C@H](C[NH3+])Nc1nc(C(F)(F)F)ccc1C(N)=O ZINC000094337466 193361431 /nfs/dbraw/zinc/36/14/31/193361431.db2.gz LLEQBNJNJCHXBQ-MRVPVSSYSA-N 1 0 304.316 1.985 10 0 DDAERO C[C@H]1CN(c2ccc(S(=O)(=O)C(F)F)cc2)CC[C@@H]1[NH3+] ZINC000094342665 193362432 /nfs/dbraw/zinc/36/24/32/193362432.db2.gz UPPUPTGNCVASRF-CABZTGNLSA-N 1 0 304.362 1.856 10 0 DDAERO COCC[NH2+]Cc1cc(F)c(OCCOCCO)c(F)c1 ZINC000094348212 193363048 /nfs/dbraw/zinc/36/30/48/193363048.db2.gz YEJSTVSRNLPZOT-UHFFFAOYSA-N 1 0 305.321 1.089 10 0 DDAERO Cc1cc(N)c(C)c(S(=O)(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000094358679 193364274 /nfs/dbraw/zinc/36/42/74/193364274.db2.gz HDXQOCDIZFSZDO-CYBMUJFWSA-N 1 0 311.451 1.600 10 0 DDAERO Cc1c(NCC[NH+]2CCCCC2)cc(N)cc1S(N)(=O)=O ZINC000094359990 193364935 /nfs/dbraw/zinc/36/49/35/193364935.db2.gz VKZUBFFFRDMFDU-UHFFFAOYSA-N 1 0 312.439 1.122 10 0 DDAERO CCC[C@@H](C(=O)N[C@H]1COc2c(cccc2OC)C1)[NH+](C)C ZINC000094106079 193345926 /nfs/dbraw/zinc/34/59/26/193345926.db2.gz YTUKVYIMKQDNJD-KGLIPLIRSA-N 1 0 306.406 1.845 10 0 DDAERO C[NH+](C)[C@@H](CNC(=O)[C@](C)(N)C(F)(F)F)c1cccs1 ZINC000094236636 193353493 /nfs/dbraw/zinc/35/34/93/193353493.db2.gz GTLILSWSBMFNKG-KWQFWETISA-N 1 0 309.357 1.747 10 0 DDAERO CC[C@@](C)([NH3+])C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000094236858 193353545 /nfs/dbraw/zinc/35/35/45/193353545.db2.gz SFACTSHHLZYKNI-CQSZACIVSA-N 1 0 313.423 1.311 10 0 DDAERO CC(C)(C)[NH2+]Cc1ncnn1[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094644067 193389735 /nfs/dbraw/zinc/38/97/35/193389735.db2.gz SHFCCXYRXKVXPL-VXGBXAGGSA-N 1 0 314.455 1.695 10 0 DDAERO CC[N@H+](C[C@H](C)C(N)=S)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094375875 193367207 /nfs/dbraw/zinc/36/72/07/193367207.db2.gz ZEIXEKWOWIQUCT-QWHCGFSZSA-N 1 0 300.468 1.959 10 0 DDAERO COCCCN(CCOC)[C@]1(C[NH3+])CC(C)(C)OC1(C)C ZINC000094424978 193368374 /nfs/dbraw/zinc/36/83/74/193368374.db2.gz GOJSVXXDMGMKPI-INIZCTEOSA-N 1 0 302.459 1.646 10 0 DDAERO C[NH2+]CCn1nnnc1S[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000094414376 193369079 /nfs/dbraw/zinc/36/90/79/193369079.db2.gz VPWRQAPNZXAEDD-PWSUYJOCSA-N 1 0 315.468 1.039 10 0 DDAERO CCCOc1nc(Cl)nc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000094442669 193370198 /nfs/dbraw/zinc/37/01/98/193370198.db2.gz KNBDZBXWBNQFEF-LLVKDONJSA-N 1 0 311.817 1.988 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(F)c(N)c1 ZINC000094457196 193371892 /nfs/dbraw/zinc/37/18/92/193371892.db2.gz NBXQLNRPEYKIBG-GHMZBOCLSA-N 1 0 313.398 1.265 10 0 DDAERO COCCCN(CCOC)[C@@]1(C[NH3+])CSCCC1(C)C ZINC000094484158 193372541 /nfs/dbraw/zinc/37/25/41/193372541.db2.gz HQSYZRSKTLQGBE-HNNXBMFYSA-N 1 0 304.500 1.832 10 0 DDAERO CN(CCC[NH+](C)C)c1nc(Br)cn2ccnc12 ZINC000094491079 193373435 /nfs/dbraw/zinc/37/34/35/193373435.db2.gz KHLQFRAWVMUFFM-UHFFFAOYSA-N 1 0 312.215 1.880 10 0 DDAERO CCN(CCC[NH2+][C@@H]1CSCC(C)(C)C1)S(C)(=O)=O ZINC000094488440 193373457 /nfs/dbraw/zinc/37/34/57/193373457.db2.gz MRDBTUFGPNQASF-LBPRGKRZSA-N 1 0 308.513 1.779 10 0 DDAERO CC[NH2+][C@@H](Cc1ccc(F)cc1Cl)[C@H]1CN2CCN1CC2 ZINC000094510158 193375363 /nfs/dbraw/zinc/37/53/63/193375363.db2.gz FCSUHPSOFNEJKI-JKSUJKDBSA-N 1 0 311.832 2.000 10 0 DDAERO CN([C@@H](C[NH3+])c1cccc(C2CC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000094520673 193376595 /nfs/dbraw/zinc/37/65/95/193376595.db2.gz LLFITMFUADSJSR-CVEARBPZSA-N 1 0 308.447 1.683 10 0 DDAERO CCOCCCN(CC(F)(F)F)C(=O)[C@H]1CC[C@@H](C[NH3+])O1 ZINC000094568437 193380630 /nfs/dbraw/zinc/38/06/30/193380630.db2.gz KBPKCAZFJMZSHN-WDEREUQCSA-N 1 0 312.332 1.310 10 0 DDAERO C[N@@H+]1CC[C@H](CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 ZINC000094595727 193381461 /nfs/dbraw/zinc/38/14/61/193381461.db2.gz HGERFOPHBMDSLW-SECBINFHSA-N 1 0 301.312 1.969 10 0 DDAERO C[C@@]1(C(=O)Nc2cc(Br)ccc2O)COC[C@H]1[NH3+] ZINC000094573750 193381546 /nfs/dbraw/zinc/38/15/46/193381546.db2.gz HDGGDXTYABLGQW-ZYHUDNBSSA-N 1 0 315.167 1.457 10 0 DDAERO COc1ccc(Cc2noc(-c3csc(C[NH3+])n3)n2)cn1 ZINC000094631265 193385303 /nfs/dbraw/zinc/38/53/03/193385303.db2.gz LKRNYFQVEPQYII-UHFFFAOYSA-N 1 0 303.347 1.646 10 0 DDAERO O[C@H](COCc1ccccc1)CN1CC[NH+](C2CCC2)CC1 ZINC000264972644 204316352 /nfs/dbraw/zinc/31/63/52/204316352.db2.gz IVXLUEVLTWOTBL-SFHVURJKSA-N 1 0 304.434 1.734 10 0 DDAERO C[NH+](C)C[C@@H]1C[C@H](O)CN1c1cc(Br)ccc1N ZINC000097245740 193698275 /nfs/dbraw/zinc/69/82/75/193698275.db2.gz NCACNQYJFHZXIE-QWRGUYRKSA-N 1 0 314.227 1.533 10 0 DDAERO Cc1nn(C)c(C[C@H]([NH3+])c2cnn(C)c2C)c1Br ZINC000097278842 193703129 /nfs/dbraw/zinc/70/31/29/193703129.db2.gz SXXFSVCITQIESV-JTQLQIEISA-N 1 0 312.215 1.775 10 0 DDAERO COc1cc(NS(=O)(=O)[C@@H]2CCC[NH2+]C2)cc(OC)c1 ZINC000019806957 182152736 /nfs/dbraw/zinc/15/27/36/182152736.db2.gz HTYQJCWMSYFSRF-CYBMUJFWSA-N 1 0 300.380 1.198 10 0 DDAERO CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C[NH3+])c2C(N)=O)C1 ZINC000020335836 182209348 /nfs/dbraw/zinc/20/93/48/182209348.db2.gz TZLNHJWJESPFHL-QMMMGPOBSA-N 1 0 309.435 1.895 10 0 DDAERO COc1cccc2cc([C@H](C)[NH2+]CCNS(C)(=O)=O)oc21 ZINC000020555285 182231774 /nfs/dbraw/zinc/23/17/74/182231774.db2.gz JZBOJTYXDJMHCV-JTQLQIEISA-N 1 0 312.391 1.641 10 0 DDAERO [NH3+][C@H](c1ccc(Cl)cc1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000021808108 182292092 /nfs/dbraw/zinc/29/20/92/182292092.db2.gz UGYDFMQFBHQQHQ-CYBMUJFWSA-N 1 0 301.733 1.918 10 0 DDAERO C[NH2+]C[C@@H]1COCCN1c1ncc(C)cc1Br ZINC000097847234 193764430 /nfs/dbraw/zinc/76/44/30/193764430.db2.gz SLTNNHRPIHENST-SNVBAGLBSA-N 1 0 300.200 1.577 10 0 DDAERO [NH3+]CCS(=O)(=O)Nc1c(F)cc(F)cc1Br ZINC000036963894 182855852 /nfs/dbraw/zinc/85/58/52/182855852.db2.gz UOTVUWIVTYUTLG-UHFFFAOYSA-N 1 0 315.139 1.428 10 0 DDAERO COCCN1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000174953661 248386056 /nfs/dbraw/zinc/38/60/56/248386056.db2.gz CMWIBANGGBCFDX-OAHLLOKOSA-N 1 0 311.470 1.286 10 0 DDAERO COC(=O)[C@H](c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000037963853 182943971 /nfs/dbraw/zinc/94/39/71/182943971.db2.gz PMENIGDROHLPOU-LBPRGKRZSA-N 1 0 313.195 1.568 10 0 DDAERO COc1ccc([C@@H](CO)[NH2+]CCN(C)C)cc1Br ZINC000038121856 182992654 /nfs/dbraw/zinc/99/26/54/182992654.db2.gz QYHMDDFTJXMXTO-GFCCVEGCSA-N 1 0 317.227 1.642 10 0 DDAERO CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C(C)C)CC1 ZINC000333733777 249086677 /nfs/dbraw/zinc/08/66/77/249086677.db2.gz UMIOAUJVAHAVTA-UHFFFAOYSA-N 1 0 320.441 1.237 10 0 DDAERO CCc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CC)C2)cc1N ZINC000040501923 183083850 /nfs/dbraw/zinc/08/38/50/183083850.db2.gz YLJPGJSYUJMFCC-CYBMUJFWSA-N 1 0 311.451 1.594 10 0 DDAERO CC(C)NS(=O)(=O)c1ccccc1N[C@H]1CCC[N@H+](C)C1 ZINC000040673422 183116524 /nfs/dbraw/zinc/11/65/24/183116524.db2.gz ICBXDUKFWUXBSQ-ZDUSSCGKSA-N 1 0 311.451 1.879 10 0 DDAERO CCOC1CC[NH+](CCC(=O)N(C)CCC(N)=S)CC1 ZINC000040689470 183117815 /nfs/dbraw/zinc/11/78/15/183117815.db2.gz OATVPDGJQJHMCT-UHFFFAOYSA-N 1 0 301.456 1.012 10 0 DDAERO CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000333851592 249126856 /nfs/dbraw/zinc/12/68/56/249126856.db2.gz QBXGEAOHFCAUCH-RFGFWPKPSA-N 1 0 321.425 1.173 10 0 DDAERO Cc1cccc(N)c1S(=O)(=O)NCC[NH+]1CCCCCC1 ZINC000040767343 183131329 /nfs/dbraw/zinc/13/13/29/183131329.db2.gz JKINWBNLCMRSIA-UHFFFAOYSA-N 1 0 311.451 1.732 10 0 DDAERO CC(C)([NH3+])C(=O)Nc1ccccc1I ZINC000040920460 183149173 /nfs/dbraw/zinc/14/91/73/183149173.db2.gz AHDAGAVXMCUUAS-UHFFFAOYSA-N 1 0 304.131 1.967 10 0 DDAERO CCNS(=O)(=O)c1ccc(NC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000042167545 183237986 /nfs/dbraw/zinc/23/79/86/183237986.db2.gz XZGCSGDCJSVPBH-LBPRGKRZSA-N 1 0 311.407 1.065 10 0 DDAERO CNC(=O)COc1c(Br)cccc1C[C@H](C)[NH3+] ZINC000042412746 183266693 /nfs/dbraw/zinc/26/66/93/183266693.db2.gz ZXZXREUTVBJOLQ-QMMMGPOBSA-N 1 0 301.184 1.464 10 0 DDAERO CNC(=O)[C@@H](C)Oc1c(Br)cccc1C[C@@H](C)[NH3+] ZINC000042412833 183266700 /nfs/dbraw/zinc/26/67/00/183266700.db2.gz VNAIQADDDPVHBD-RKDXNWHRSA-N 1 0 315.211 1.852 10 0 DDAERO CO[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000042477473 183274593 /nfs/dbraw/zinc/27/45/93/183274593.db2.gz ZZUCUCKNSRQBPA-HUUCEWRRSA-N 1 0 312.435 1.424 10 0 DDAERO COC[C@@H](O)C[N@H+](C)CCCOc1cccc(C(N)=S)c1 ZINC000042506118 183278101 /nfs/dbraw/zinc/27/81/01/183278101.db2.gz ZLWXBYKPLXVHNJ-ZDUSSCGKSA-N 1 0 312.435 1.029 10 0 DDAERO CCCNC(=O)CN(C)c1cc(Br)ccc1C[NH3+] ZINC000042519087 183279479 /nfs/dbraw/zinc/27/94/79/183279479.db2.gz SDWPGANRRPGQDM-UHFFFAOYSA-N 1 0 314.227 1.870 10 0 DDAERO CC(C)N(CCCO)S(=O)(=O)c1cccc2c1CC[NH2+]C2 ZINC000042526427 183280206 /nfs/dbraw/zinc/28/02/06/183280206.db2.gz AZJBLZMOIFLIQP-UHFFFAOYSA-N 1 0 312.435 1.114 10 0 DDAERO COCCN(CC(C)C)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000042370689 183259874 /nfs/dbraw/zinc/25/98/74/183259874.db2.gz CZSAVDKDJWEESZ-UHFFFAOYSA-N 1 0 314.451 1.580 10 0 DDAERO CC[C@@H]([NH3+])Cc1cc2c(cc1OCCS(C)(=O)=O)OCO2 ZINC000042878911 183316273 /nfs/dbraw/zinc/31/62/73/183316273.db2.gz WYTARJXWFAIVOW-LLVKDONJSA-N 1 0 315.391 1.119 10 0 DDAERO CC[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCN(CCO)CC1 ZINC000042945239 183319827 /nfs/dbraw/zinc/31/98/27/183319827.db2.gz AQHDRZRABOLWJN-CVEARBPZSA-N 1 0 311.857 1.728 10 0 DDAERO CC[C@@H]([NH3+])[C@H](c1ccc(OC)cc1)N1CCS(=O)(=O)CC1 ZINC000042961127 183323687 /nfs/dbraw/zinc/32/36/87/183323687.db2.gz NXJBWFBXSKYRGA-CABCVRRESA-N 1 0 312.435 1.204 10 0 DDAERO CC[C@H]([NH3+])[C@H](c1ccc(OC)cc1)N1CCS(=O)(=O)CC1 ZINC000042961125 183323867 /nfs/dbraw/zinc/32/38/67/183323867.db2.gz NXJBWFBXSKYRGA-GJZGRUSLSA-N 1 0 312.435 1.204 10 0 DDAERO CC[C@@H]([NH3+])[C@H](c1ccccc1F)N1CCS(=O)(=O)CC1 ZINC000043043806 183332042 /nfs/dbraw/zinc/33/20/42/183332042.db2.gz BDFFRQBDTLUVFH-KGLIPLIRSA-N 1 0 300.399 1.335 10 0 DDAERO C[C@H]1c2ccsc2CCN1S(=O)(=O)C1CC[NH2+]CC1 ZINC000042782428 183309403 /nfs/dbraw/zinc/30/94/03/183309403.db2.gz MGLCSFWYVLIQGO-JTQLQIEISA-N 1 0 300.449 1.749 10 0 DDAERO CN(C)C(=O)CN(C)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000043285439 183350789 /nfs/dbraw/zinc/35/07/89/183350789.db2.gz LQAYNUDGBVEWGZ-VIFPVBQESA-N 1 0 320.256 1.530 10 0 DDAERO O=C(Nc1cccc(Cl)c1-n1ccnc1)[C@@H]1C[NH2+]CCO1 ZINC000043708395 183382966 /nfs/dbraw/zinc/38/29/66/183382966.db2.gz CBTCDOPTDLRMPP-LBPRGKRZSA-N 1 0 306.753 1.453 10 0 DDAERO CCN(c1ccc(C[NH3+])cc1)S(=O)(=O)c1cncc(F)c1 ZINC000044259898 183401309 /nfs/dbraw/zinc/40/13/09/183401309.db2.gz VPAVSAATWAMSPR-UHFFFAOYSA-N 1 0 309.366 1.895 10 0 DDAERO CC(C)NS(=O)(=O)c1ccc(NC[C@H]2CCC[NH2+]C2)cc1 ZINC000044503298 183415896 /nfs/dbraw/zinc/41/58/96/183415896.db2.gz REKFZKQBSKQKQQ-ZDUSSCGKSA-N 1 0 311.451 1.785 10 0 DDAERO COC1(c2nc(Cc3ccccc3)no2)CC[NH+](CCO)CC1 ZINC000284388190 218006485 /nfs/dbraw/zinc/00/64/85/218006485.db2.gz HMRBWFAAJJWOGX-UHFFFAOYSA-N 1 0 317.389 1.590 10 0 DDAERO NC(=O)c1cccc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000105131376 194077385 /nfs/dbraw/zinc/07/73/85/194077385.db2.gz RIHNLIHBHDYUJM-HNNXBMFYSA-N 1 0 316.405 1.165 10 0 DDAERO CNc1cc(N2CCC[C@H]2C[NH2+]C2CCSCC2)ncn1 ZINC000105904862 194166232 /nfs/dbraw/zinc/16/62/32/194166232.db2.gz RJNNETGLCRYFOD-ZDUSSCGKSA-N 1 0 307.467 1.972 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(-n3cccn3)cc2)C[C@@H]1C ZINC000105911811 194169999 /nfs/dbraw/zinc/16/99/99/194169999.db2.gz DPIZYKUQVJRLQL-JKSUJKDBSA-N 1 0 314.433 1.759 10 0 DDAERO Cc1ccc(NC(=O)[C@@H](C)N2CCO[C@H](C[NH+](C)C)C2)cc1F ZINC000105924764 194170691 /nfs/dbraw/zinc/17/06/91/194170691.db2.gz KLOLVLGIDINQLG-UKRRQHHQSA-N 1 0 323.412 1.724 10 0 DDAERO Cc1ccc(NC(=O)[C@H](C)N2CCO[C@H](C[NH+](C)C)C2)cc1F ZINC000105924766 194171214 /nfs/dbraw/zinc/17/12/14/194171214.db2.gz KLOLVLGIDINQLG-DZGCQCFKSA-N 1 0 323.412 1.724 10 0 DDAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCC2(CC1)OCCO2 ZINC000106430054 194212576 /nfs/dbraw/zinc/21/25/76/194212576.db2.gz LRZCXWDQBTXYEE-INIZCTEOSA-N 1 0 318.417 1.525 10 0 DDAERO CCC[N@H+](CCO)[C@@H](C)C(=O)Nc1ccccc1C(N)=S ZINC000048921677 183696583 /nfs/dbraw/zinc/69/65/83/183696583.db2.gz CXHFKSWCHNFOJP-NSHDSACASA-N 1 0 309.435 1.352 10 0 DDAERO CC[C@@H]([NH3+])c1cccc(S(=O)(=O)N(CC)CCOC)c1 ZINC000049015387 183702457 /nfs/dbraw/zinc/70/24/57/183702457.db2.gz VEIUUXIJQOENJL-CQSZACIVSA-N 1 0 300.424 1.753 10 0 DDAERO C[C@@H](NS(=O)(=O)CC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000049645942 183751865 /nfs/dbraw/zinc/75/18/65/183751865.db2.gz BJYCQYZUGAKZEC-LLVKDONJSA-N 1 0 300.399 1.806 10 0 DDAERO COc1ccccc1N(C)S(=O)(=O)CCC1CC[NH2+]CC1 ZINC000049973138 183766333 /nfs/dbraw/zinc/76/63/33/183766333.db2.gz OCDYIFPKXAYAPS-UHFFFAOYSA-N 1 0 312.435 1.851 10 0 DDAERO CC[C@@H](C(N)=S)[NH+]1CCN(c2cc(C(C)C)ncn2)CC1 ZINC000109471573 194266648 /nfs/dbraw/zinc/26/66/48/194266648.db2.gz MRFHJTWFOXGAFR-ZDUSSCGKSA-N 1 0 307.467 1.787 10 0 DDAERO CC[C@@H](C(N)=S)[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000109471453 194266547 /nfs/dbraw/zinc/26/65/47/194266547.db2.gz YVOPPYRPAACWHS-NSHDSACASA-N 1 0 321.475 1.878 10 0 DDAERO CC[C@@H](C(N)=S)[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC000109460895 194265765 /nfs/dbraw/zinc/26/57/65/194265765.db2.gz FMUITJVCOZQJSC-ZDUSSCGKSA-N 1 0 309.410 1.648 10 0 DDAERO CCc1nc(N2CC[C@@H](N3CCOCC3)C2)sc1C[NH2+]C ZINC000110275807 194319166 /nfs/dbraw/zinc/31/91/66/194319166.db2.gz NLQOITRHAVAVQR-GFCCVEGCSA-N 1 0 310.467 1.336 10 0 DDAERO CC[C@@H]1CN(C(=O)c2cc(Br)c[nH]2)CC[N@@H+]1C ZINC000110759237 194356597 /nfs/dbraw/zinc/35/65/97/194356597.db2.gz ALBLYHMHNAXFKH-SNVBAGLBSA-N 1 0 300.200 1.943 10 0 DDAERO C[NH2+]Cc1ccc(Br)cc1N1CCNC(=O)[C@H]1C ZINC000110661863 194347384 /nfs/dbraw/zinc/34/73/84/194347384.db2.gz AYVUBLHWJSICSX-SECBINFHSA-N 1 0 312.211 1.493 10 0 DDAERO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(N)cc2Cl)CCN1C ZINC000110699623 194351654 /nfs/dbraw/zinc/35/16/54/194351654.db2.gz VXHYNJVHZDRQGH-NSHDSACASA-N 1 0 310.829 1.887 10 0 DDAERO CN(CC(=O)Nc1nc2ccccc2s1)[C@H]1CCC[NH2+]C1 ZINC000110931630 194370890 /nfs/dbraw/zinc/37/08/90/194370890.db2.gz BPVVDMHYDGTAFM-NSHDSACASA-N 1 0 304.419 1.919 10 0 DDAERO CN(CCC[NH+](C)C)S(=O)(=O)c1cc(N)c(F)cc1F ZINC000111131170 194393791 /nfs/dbraw/zinc/39/37/91/194393791.db2.gz PMEQVTZHMWLGQK-UHFFFAOYSA-N 1 0 307.366 1.119 10 0 DDAERO CCCN[C@H](CC[N@H+](C)CC1CCOCC1)C(=O)OCC ZINC000111170467 194398305 /nfs/dbraw/zinc/39/83/05/194398305.db2.gz MNCCXQNXQVUKKU-OAHLLOKOSA-N 1 0 300.443 1.666 10 0 DDAERO CCN(CCC[NH+](C)C)C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000189956897 284881672 /nfs/dbraw/zinc/88/16/72/284881672.db2.gz IYIKWZVFZYYIAP-CYBMUJFWSA-N 1 0 322.457 1.659 10 0 DDAERO CCC[NH2+][C@@H](Cc1ccc(OC)c(F)c1)CS(C)(=O)=O ZINC000060706186 184154536 /nfs/dbraw/zinc/15/45/36/184154536.db2.gz LTKALKMOKRVBFH-LBPRGKRZSA-N 1 0 303.399 1.790 10 0 DDAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C1CC1)c1ccncc1 ZINC000061594551 184176171 /nfs/dbraw/zinc/17/61/71/184176171.db2.gz GEEPTAVGLQEVHF-NEPJUHHUSA-N 1 0 305.407 1.872 10 0 DDAERO COCCN(C(=O)[C@@H](C[NH3+])c1ccccc1)[C@H]1CCSC1 ZINC000061612046 184178698 /nfs/dbraw/zinc/17/86/98/184178698.db2.gz CHDOVOVFKSQZMR-GJZGRUSLSA-N 1 0 308.447 1.709 10 0 DDAERO CC[C@H](Oc1c(Br)cccc1C[C@H](C)[NH3+])C(N)=O ZINC000061678461 184181960 /nfs/dbraw/zinc/18/19/60/184181960.db2.gz XKNWZCQHZFPLAS-KWQFWETISA-N 1 0 315.211 1.982 10 0 DDAERO C[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000061950898 184198419 /nfs/dbraw/zinc/19/84/19/184198419.db2.gz NARXXHSWWDZNSG-IJLUTSLNSA-N 1 0 307.360 1.456 10 0 DDAERO C[C@@H](c1ccccc1F)N(C)S(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000062027846 184202357 /nfs/dbraw/zinc/20/23/57/184202357.db2.gz JJOFTZWNPKFUPC-RYUDHWBXSA-N 1 0 300.399 1.900 10 0 DDAERO C[C@H](CNc1cc(N)cc(S(N)(=O)=O)c1)C[NH+]1CCCC1 ZINC000062069824 184204344 /nfs/dbraw/zinc/20/43/44/184204344.db2.gz RARJUPTXEUMAOI-LLVKDONJSA-N 1 0 312.439 1.060 10 0 DDAERO C[C@@H](CNS(=O)(=O)c1cnc(Cl)nc1)C[NH+]1CCCC1 ZINC000062075729 184204498 /nfs/dbraw/zinc/20/44/98/184204498.db2.gz GNOHCNUHLVTGPB-JTQLQIEISA-N 1 0 318.830 1.140 10 0 DDAERO COc1ccc(OCCS(C)(=O)=O)c(C[NH2+]CC(C)C)c1 ZINC000062727593 184250735 /nfs/dbraw/zinc/25/07/35/184250735.db2.gz QKEZIATUDNQYTP-UHFFFAOYSA-N 1 0 315.435 1.864 10 0 DDAERO CC1(C(=O)Nc2ccccc2NS(C)(=O)=O)CC[NH2+]CC1 ZINC000062840269 184255776 /nfs/dbraw/zinc/25/57/76/184255776.db2.gz SNMWXEXYSZSBFA-UHFFFAOYSA-N 1 0 311.407 1.386 10 0 DDAERO CCCC1(C(=O)N(CCCOC)CCOC)CC[NH2+]CC1 ZINC000062849307 184256585 /nfs/dbraw/zinc/25/65/85/184256585.db2.gz UBJXWZMDOGVZOW-UHFFFAOYSA-N 1 0 300.443 1.668 10 0 DDAERO CNC(=O)[C@@H](C)Oc1ccc(CC[NH3+])cc1Br ZINC000062703846 184247997 /nfs/dbraw/zinc/24/79/97/184247997.db2.gz ZCGSZYYWMOPIAZ-MRVPVSSYSA-N 1 0 301.184 1.464 10 0 DDAERO CNC(=O)[C@H](C)Oc1ccc(CC[NH3+])cc1Br ZINC000062703845 184248031 /nfs/dbraw/zinc/24/80/31/184248031.db2.gz ZCGSZYYWMOPIAZ-QMMMGPOBSA-N 1 0 301.184 1.464 10 0 DDAERO CN(C1CCCCC1)S(=O)(=O)N[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000063213448 184278325 /nfs/dbraw/zinc/27/83/25/184278325.db2.gz BTLVUMMKWLSDQS-UONOGXRCSA-N 1 0 303.472 1.745 10 0 DDAERO Cc1c(N)cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000062965334 184263231 /nfs/dbraw/zinc/26/32/31/184263231.db2.gz YQLGYNQEAHQAKK-SNVBAGLBSA-N 1 0 317.842 1.555 10 0 DDAERO Cc1cc([C@H](C[NH3+])N2CC[C@H](N3CCOCC3)C2)c(C)s1 ZINC000062978727 184264277 /nfs/dbraw/zinc/26/42/77/184264277.db2.gz LJNHEZPTFLKVBR-HOCLYGCPSA-N 1 0 309.479 1.771 10 0 DDAERO COc1cc(C[C@@H](C)[NH3+])ccc1OCCCS(C)(=O)=O ZINC000063017558 184267065 /nfs/dbraw/zinc/26/70/65/184267065.db2.gz CJHSEZYRAVFXNQ-LLVKDONJSA-N 1 0 301.408 1.398 10 0 DDAERO CCOCCS(=O)(=O)N(CCC[NH3+])c1cccc(F)c1 ZINC000063153254 184274094 /nfs/dbraw/zinc/27/40/94/184274094.db2.gz UNJSWHFUYFFJRR-UHFFFAOYSA-N 1 0 304.387 1.347 10 0 DDAERO [NH3+][C@H]1CCC[C@@H]1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000063174877 184276078 /nfs/dbraw/zinc/27/60/78/184276078.db2.gz PXRKVRQRKBFFKU-UWVGGRQHSA-N 1 0 308.325 1.864 10 0 DDAERO COc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH3+])cc1Cl ZINC000063175133 184276263 /nfs/dbraw/zinc/27/62/63/184276263.db2.gz UPEWMLDYBZVDTR-QWRGUYRKSA-N 1 0 304.799 1.507 10 0 DDAERO CSc1ccsc1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116793064 194771185 /nfs/dbraw/zinc/77/11/85/194771185.db2.gz UMZYDCNSBGPROB-JTQLQIEISA-N 1 0 300.449 1.873 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CCC[C@H](C(=O)OC)C1 ZINC000245436942 285238280 /nfs/dbraw/zinc/23/82/80/285238280.db2.gz WACUUUVGPLIYRY-SOUVJXGZSA-N 1 0 310.438 1.909 10 0 DDAERO Cc1cc(F)cc(C)c1S(=O)(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000261838919 291915026 /nfs/dbraw/zinc/91/50/26/291915026.db2.gz VJMKPVURQIRTTM-NEPJUHHUSA-N 1 0 300.399 1.800 10 0 DDAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000120433504 195164943 /nfs/dbraw/zinc/16/49/43/195164943.db2.gz BLXHBLSNPRLGJG-XEZPLFJOSA-N 1 0 324.446 1.767 10 0 DDAERO Cc1ccsc1C[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000120482445 195174600 /nfs/dbraw/zinc/17/46/00/195174600.db2.gz ILYLUHHLHUQRHV-UHFFFAOYSA-N 1 0 314.418 1.816 10 0 DDAERO CC1(C)[C@H](NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)[C@H]2CCO[C@@H]21 ZINC000120727007 195225625 /nfs/dbraw/zinc/22/56/25/195225625.db2.gz PAVSFMSFWSMRLV-TUVASFSCSA-N 1 0 307.438 1.680 10 0 DDAERO COCC[N@@H+]1CCN(Cc2ccc(OC)cc2OC)C[C@@H]1C ZINC000120774589 195235136 /nfs/dbraw/zinc/23/51/36/195235136.db2.gz CCHMTRWKOSAIJP-AWEZNQCLSA-N 1 0 308.422 1.856 10 0 DDAERO CC(C)[N@H+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2CCCO2)C1 ZINC000248144074 257108318 /nfs/dbraw/zinc/10/83/18/257108318.db2.gz VDHHYCHXKXEWOK-GJZGRUSLSA-N 1 0 320.437 1.361 10 0 DDAERO C[N@H+]1[C@H](C(=O)NCC2CC2)C[C@H]2CN(c3ccccn3)C[C@H]21 ZINC000248029438 257110603 /nfs/dbraw/zinc/11/06/03/257110603.db2.gz KSHDZEKGCFBFBI-SOUVJXGZSA-N 1 0 300.406 1.117 10 0 DDAERO CN(C)C(=O)CO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccoc1)C2 ZINC000248066803 257110633 /nfs/dbraw/zinc/11/06/33/257110633.db2.gz ZXQUIAIHTGYCOA-NVXWUHKLSA-N 1 0 322.405 1.508 10 0 DDAERO Cc1nccc([C@@H]2C[C@H]3CCN(C(=O)C[NH+](C)C)C[C@@H]3O2)n1 ZINC000248047393 257110738 /nfs/dbraw/zinc/11/07/38/257110738.db2.gz WVDAMFGGTUCHDM-SNPRPXQTSA-N 1 0 304.394 1.025 10 0 DDAERO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCCN(Cc3ccsc3)[C@@H]2C1 ZINC000247968585 257112963 /nfs/dbraw/zinc/11/29/63/257112963.db2.gz GZCYBJPVEKYDKB-LSDHHAIUSA-N 1 0 307.463 1.733 10 0 DDAERO COCCNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[N@H+](Cc2ccoc2)C1 ZINC000247838375 257115963 /nfs/dbraw/zinc/11/59/63/257115963.db2.gz JYTBIWHZNYSFHO-ILXRZTDVSA-N 1 0 308.378 1.022 10 0 DDAERO CC[C@H]1CCCC[C@H]1OC[C@@H](O)C[NH2+]CCCS(C)(=O)=O ZINC000216517375 257132477 /nfs/dbraw/zinc/13/24/77/257132477.db2.gz JQBXFGUZYLZPRF-SOUVJXGZSA-N 1 0 321.483 1.357 10 0 DDAERO O[C@H](COC1CCOCC1)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000121024343 195281654 /nfs/dbraw/zinc/28/16/54/195281654.db2.gz FGEGWUSUYVZHJI-HOCLYGCPSA-N 1 0 309.410 1.493 10 0 DDAERO CCn1cc(CN2CCC[N@H+](CC3=CCCOC3)CC2)cn1 ZINC000121644312 195323112 /nfs/dbraw/zinc/32/31/12/195323112.db2.gz UEONYWZOCJPQIX-UHFFFAOYSA-N 1 0 304.438 1.757 10 0 DDAERO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2ccc(F)cn2)C1 ZINC000286460676 286094406 /nfs/dbraw/zinc/09/44/06/286094406.db2.gz RKMAVHHTFHRJQM-KBPBESRZSA-N 1 0 307.369 1.546 10 0 DDAERO [NH3+][C@@H](C(=O)Nc1cnn(Cc2ccncc2)c1)C1CCOCC1 ZINC000261638512 407563458 /nfs/dbraw/zinc/56/34/58/407563458.db2.gz DGZUQZYTOZPHGE-OAHLLOKOSA-N 1 0 315.377 1.019 10 0 DDAERO C[C@@H](CNC(=O)N1CCS[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000074656876 406917183 /nfs/dbraw/zinc/91/71/83/406917183.db2.gz QEOLNZXUVOHVGR-KBPBESRZSA-N 1 0 314.499 1.017 10 0 DDAERO C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000029954524 406928739 /nfs/dbraw/zinc/92/87/39/406928739.db2.gz HKEDIRXXMJZGJH-UKRRQHHQSA-N 1 0 319.449 1.956 10 0 DDAERO CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCCC[C@H]2O)CC1 ZINC000077759917 407006682 /nfs/dbraw/zinc/00/66/82/407006682.db2.gz MMBZHHKBLFWIEY-GDBMZVCRSA-N 1 0 311.470 1.957 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H](C)CN1CCCC1=O ZINC000079683544 407060487 /nfs/dbraw/zinc/06/04/87/407060487.db2.gz NFQAQAMYENIBHZ-ZIAGYGMSSA-N 1 0 312.458 1.273 10 0 DDAERO CCCCNC(=O)CN(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863045 407356672 /nfs/dbraw/zinc/35/66/72/407356672.db2.gz KTPIWLHXJSZSFD-UHFFFAOYSA-N 1 0 321.469 1.196 10 0 DDAERO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2)C[C@@H]1[NH+](C)C ZINC000124030964 407345955 /nfs/dbraw/zinc/34/59/55/407345955.db2.gz NPADADOTZQUGRJ-ONGXEEELSA-N 1 0 303.815 1.306 10 0 DDAERO Cc1nc(NC(=O)[C@H](C)[NH2+][C@H]2CCc3ncnn3C2)sc1C ZINC000105872077 407356353 /nfs/dbraw/zinc/35/63/53/407356353.db2.gz NFYBYDYTHKBLFF-ONGXEEELSA-N 1 0 320.422 1.283 10 0 DDAERO CC(C)(C)OC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106936029 407367917 /nfs/dbraw/zinc/36/79/17/407367917.db2.gz GFCFMNKPRZQXFU-QWHCGFSZSA-N 1 0 316.442 1.761 10 0 DDAERO CCOC(=O)CCCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106902322 407365943 /nfs/dbraw/zinc/36/59/43/407365943.db2.gz GTFDQLYDQXNDJM-OAHLLOKOSA-N 1 0 306.406 1.619 10 0 DDAERO COC(=O)[C@@H]1CCCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000106915919 407366605 /nfs/dbraw/zinc/36/66/05/407366605.db2.gz CYFVIWBNNMNJSJ-CVEARBPZSA-N 1 0 318.417 1.571 10 0 DDAERO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)c1 ZINC000112548920 407432266 /nfs/dbraw/zinc/43/22/66/407432266.db2.gz ARURDEZGADYHJR-BLLLJJGKSA-N 1 0 319.405 1.136 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C(N)=O)cs2)C12CCOCC2 ZINC000185655505 407470406 /nfs/dbraw/zinc/47/04/06/407470406.db2.gz RTHZWDCPPWJORM-ZIAGYGMSSA-N 1 0 324.446 1.911 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000113222603 407476412 /nfs/dbraw/zinc/47/64/12/407476412.db2.gz JDYROSFCPCPBEH-TZMCWYRMSA-N 1 0 315.417 1.562 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(N2CCCC2)nn1 ZINC000113224127 407477097 /nfs/dbraw/zinc/47/70/97/407477097.db2.gz GQEFGHSZKZWKIF-ZIAGYGMSSA-N 1 0 315.421 1.386 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc2c(c1)OCCO2 ZINC000113226353 407477584 /nfs/dbraw/zinc/47/75/84/407477584.db2.gz JJKNKDYOHVQJNV-TZMCWYRMSA-N 1 0 302.374 1.767 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCNC(=O)c1ccco1 ZINC000113232357 407482135 /nfs/dbraw/zinc/48/21/35/407482135.db2.gz OYGIFIBUTUWMIZ-CHWSQXEVSA-N 1 0 305.378 1.095 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NC(=O)NC1CCCCC1 ZINC000113271299 407484910 /nfs/dbraw/zinc/48/49/10/407484910.db2.gz PUDDJPUCITWARG-DZGCQCFKSA-N 1 0 322.453 1.313 10 0 DDAERO O=C(C1CC=CC1)N1CCC(N2CC(F)(F)C[C@H]2CO)CC1 ZINC000257191538 407486070 /nfs/dbraw/zinc/48/60/70/407486070.db2.gz PUQMWYIZIPLWIA-AWEZNQCLSA-N 1 0 314.376 1.646 10 0 DDAERO C[NH+](C)[C@@H]1CN(C(=O)CCc2c[nH]c3ccccc23)C[C@H]1CO ZINC000257193899 407487279 /nfs/dbraw/zinc/48/72/79/407487279.db2.gz SDBBPWKHLDOZGF-WMLDXEAASA-N 1 0 315.417 1.481 10 0 DDAERO Cc1ccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1-n1cnnn1 ZINC000171075719 407588431 /nfs/dbraw/zinc/58/84/31/407588431.db2.gz FAGBYWBSIPQQFG-ZDUSSCGKSA-N 1 0 315.381 1.139 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1cccc(O)c1 ZINC000113612298 407517838 /nfs/dbraw/zinc/51/78/38/407517838.db2.gz ZAZLODLRNIAYQY-UKRRQHHQSA-N 1 0 303.406 1.813 10 0 DDAERO CCOC(=O)c1ccc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170833787 407524456 /nfs/dbraw/zinc/52/44/56/407524456.db2.gz ZWEUOLKHLSVGLX-HNNXBMFYSA-N 1 0 319.405 1.709 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccn(-c3ccccc3F)n2)C1 ZINC000170866348 407538397 /nfs/dbraw/zinc/53/83/97/407538397.db2.gz BFMBOPPYJTYJPV-GFCCVEGCSA-N 1 0 302.353 1.788 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)C(C)(C)c2ccc3c(c2)OCCO3)C1 ZINC000170864240 407539289 /nfs/dbraw/zinc/53/92/89/407539289.db2.gz LMTRESUIQJKALQ-AWEZNQCLSA-N 1 0 318.417 1.898 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)c2cccnc2N2CCCCC2)C1 ZINC000170866052 407539590 /nfs/dbraw/zinc/53/95/90/407539590.db2.gz AIDRDCIDHKSMAW-AWEZNQCLSA-N 1 0 302.422 1.848 10 0 DDAERO Cc1cc(C)n(C[C@H]2CN(C(=O)CC[C@@H]3CC[NH2+]C3)CCO2)n1 ZINC000261776500 407611109 /nfs/dbraw/zinc/61/11/09/407611109.db2.gz JDDFSZGZHXBISN-HZPDHXFCSA-N 1 0 320.437 1.117 10 0 DDAERO CCC[C@H](C(=O)OCC)N1CC[N@H+](CCOCC)[C@H](C)C1 ZINC000114802853 407617095 /nfs/dbraw/zinc/61/70/95/407617095.db2.gz GBTJTJCEIWUZDT-HUUCEWRRSA-N 1 0 300.443 1.761 10 0 DDAERO COC[C@@H]([NH3+])C(=O)NCCc1ccc(Br)s1 ZINC000226425296 407617290 /nfs/dbraw/zinc/61/72/90/407617290.db2.gz FFLJWLROHSTEAV-MRVPVSSYSA-N 1 0 307.213 1.143 10 0 DDAERO C[C@@H](CNC(=O)c1cccc(Cl)c1F)N1CCOCC1 ZINC000130116387 407655668 /nfs/dbraw/zinc/65/56/68/407655668.db2.gz REULTGSNXWUBOE-JTQLQIEISA-N 1 0 300.761 1.930 10 0 DDAERO CSCCCCCNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000186168847 407595923 /nfs/dbraw/zinc/59/59/23/407595923.db2.gz JVCYHFYLOHBFFU-CQSZACIVSA-N 1 0 317.499 1.666 10 0 DDAERO C[C@@H]1CN(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C[C@@H]1[NH3+] ZINC000261962744 407691482 /nfs/dbraw/zinc/69/14/82/407691482.db2.gz HMIDUEAXYSNIQF-OTYXRUKQSA-N 1 0 309.776 1.839 10 0 DDAERO CN1CCO[C@H](CNC(=O)NC(C)(C)c2cccc(F)c2)C1 ZINC000152909128 407712279 /nfs/dbraw/zinc/71/22/79/407712279.db2.gz IAJSWLAPUGCTGZ-CQSZACIVSA-N 1 0 309.385 1.691 10 0 DDAERO Cc1cnn(CC2CCN(C(=O)[C@H]3CC34CC[NH2+]CC4)CC2)c1 ZINC000261904132 407662648 /nfs/dbraw/zinc/66/26/48/407662648.db2.gz FJNOOPPTMLSPMP-MRXNPFEDSA-N 1 0 316.449 1.820 10 0 DDAERO CC(C)(C)OC[C@H](O)C[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000171347373 407663560 /nfs/dbraw/zinc/66/35/60/407663560.db2.gz CXUXHVNFYNJLQW-HZPDHXFCSA-N 1 0 320.433 1.726 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N[C@@H](COc1ccccc1F)C(C)(C)C ZINC000262210400 407765762 /nfs/dbraw/zinc/76/57/62/407765762.db2.gz DWVRLETWEMTAIP-OCCSQVGLSA-N 1 0 312.385 1.709 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)CCOCc2ccccc2)CCO1 ZINC000116783012 407773903 /nfs/dbraw/zinc/77/39/03/407773903.db2.gz JNURSDFCBDKELN-MRXNPFEDSA-N 1 0 306.406 1.382 10 0 DDAERO CCc1cnc(N2CCN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)CC2)s1 ZINC000262246539 407776285 /nfs/dbraw/zinc/77/62/85/407776285.db2.gz CIWLZPVFPJKERQ-QWHCGFSZSA-N 1 0 322.478 1.872 10 0 DDAERO CCc1ccccc1OCC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116796680 407780304 /nfs/dbraw/zinc/78/03/04/407780304.db2.gz BARYEMFSGONGRS-OAHLLOKOSA-N 1 0 306.406 1.417 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)C[C@@H]2OCCc3ccccc32)CCO1 ZINC000116797098 407780357 /nfs/dbraw/zinc/78/03/57/407780357.db2.gz AMGXYYZWYHCETA-RDJZCZTQSA-N 1 0 318.417 1.480 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(-n3cccn3)cc2)CCO1 ZINC000116798092 407779114 /nfs/dbraw/zinc/77/91/14/407779114.db2.gz UOXJCTCCKYXAPD-MRXNPFEDSA-N 1 0 314.389 1.275 10 0 DDAERO C[C@H](Cc1cccc(F)c1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116793312 407779335 /nfs/dbraw/zinc/77/93/35/407779335.db2.gz HFTUSWKFLILZMZ-CZUORRHYSA-N 1 0 308.397 1.793 10 0 DDAERO O=C(C[C@H]1COCC[NH2+]1)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000262303972 407791728 /nfs/dbraw/zinc/79/17/28/407791728.db2.gz BCDGOSHYQZTNLI-OLZOCXBDSA-N 1 0 320.393 1.032 10 0 DDAERO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)CCO1 ZINC000116900804 407794387 /nfs/dbraw/zinc/79/43/87/407794387.db2.gz VORCFUNDGFDIDS-LBPRGKRZSA-N 1 0 318.826 1.291 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000262319295 407798127 /nfs/dbraw/zinc/79/81/27/407798127.db2.gz QBUULCAWRFOLIL-DGCLKSJQSA-N 1 0 310.394 1.633 10 0 DDAERO Cc1cnn(CC2CCN(C(=O)C3(C[NH3+])CCOCC3)CC2)c1 ZINC000262317488 407798243 /nfs/dbraw/zinc/79/82/43/407798243.db2.gz QYCPUSRLNWXJRI-UHFFFAOYSA-N 1 0 320.437 1.186 10 0 DDAERO CC(C)CCOCCNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117040210 407805530 /nfs/dbraw/zinc/80/55/30/407805530.db2.gz FUANPVIYEHLMJU-AWEZNQCLSA-N 1 0 301.431 1.021 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)NCCc2cccc(F)c2)CCO1 ZINC000117027666 407806661 /nfs/dbraw/zinc/80/66/61/407806661.db2.gz DJWNWSFZQMXMAT-HNNXBMFYSA-N 1 0 309.385 1.340 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000262354790 407808632 /nfs/dbraw/zinc/80/86/32/407808632.db2.gz UWEPCSCGFDDFSN-LBPRGKRZSA-N 1 0 307.394 1.892 10 0 DDAERO CN(C)S(=O)(=O)c1cccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000262416717 407827697 /nfs/dbraw/zinc/82/76/97/407827697.db2.gz DPMMVVOLKNCSIS-IMJJTQAJSA-N 1 0 323.462 1.106 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@]12CCOC2=O ZINC000187691087 407882081 /nfs/dbraw/zinc/88/20/81/407882081.db2.gz PSZLOGSXFNHNKQ-PBHICJAKSA-N 1 0 323.437 1.598 10 0 DDAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000262644998 407889352 /nfs/dbraw/zinc/88/93/52/407889352.db2.gz UURMMRCHRWBUFA-YDHLFZDLSA-N 1 0 318.421 1.830 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000118859272 407958510 /nfs/dbraw/zinc/95/85/10/407958510.db2.gz RQVIZUQKHVKHCV-QGZVFWFLSA-N 1 0 319.449 1.277 10 0 DDAERO CC[C@H]1CN(C(=O)Cc2ccc(C)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000174627846 407969426 /nfs/dbraw/zinc/96/94/26/407969426.db2.gz AIFWNMVPFHMLOK-WBVHZDCISA-N 1 0 304.434 1.841 10 0 DDAERO CCOCCN1CCN(C[C@@H](C)CS(C)(=O)=O)C[C@@H]1CC ZINC000118985234 407970123 /nfs/dbraw/zinc/97/01/23/407970123.db2.gz IVROLPGEUSCBEQ-CABCVRRESA-N 1 0 320.499 1.100 10 0 DDAERO CN1CC[NH2+]C[C@H]1c1noc(Cc2cccc(OC(F)F)c2)n1 ZINC000263132058 408035755 /nfs/dbraw/zinc/03/57/55/408035755.db2.gz BTGZPAXFQYQHBD-LBPRGKRZSA-N 1 0 324.331 1.838 10 0 DDAERO O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@H]1CC(F)(F)CN1 ZINC000263158303 408042261 /nfs/dbraw/zinc/04/22/61/408042261.db2.gz DPTOXXXJOBJKTD-CQSZACIVSA-N 1 0 324.375 1.159 10 0 DDAERO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC(F)(F)CN1 ZINC000262983330 407993988 /nfs/dbraw/zinc/99/39/88/407993988.db2.gz MWNZCSDPPQLFQY-OAHLLOKOSA-N 1 0 323.387 1.764 10 0 DDAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272587693 407995200 /nfs/dbraw/zinc/99/52/00/407995200.db2.gz WWATZFIHYSFQFR-UHOSZYNNSA-N 1 0 317.477 1.817 10 0 DDAERO CC(C)n1cnc(S(=O)(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000245544664 408012038 /nfs/dbraw/zinc/01/20/38/408012038.db2.gz MKWBZDDWMUPUDC-CHWSQXEVSA-N 1 0 314.455 1.471 10 0 DDAERO CCc1nn(C)c(CC)c1C[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000245739390 408057804 /nfs/dbraw/zinc/05/78/04/408057804.db2.gz LLCRZKODSGZPOQ-KSSFIOAISA-N 1 0 320.481 1.697 10 0 DDAERO Cn1nc(C(C)(C)C)cc1-c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263210023 408059334 /nfs/dbraw/zinc/05/93/34/408059334.db2.gz KDDIXMQFXFMTAK-NSHDSACASA-N 1 0 304.398 1.344 10 0 DDAERO C[NH+](C)C1(CNC(=O)[C@@H]2CC(F)(F)CN2)Cc2ccccc2C1 ZINC000263223113 408064986 /nfs/dbraw/zinc/06/49/86/408064986.db2.gz MHMFIABLEGFKSB-AWEZNQCLSA-N 1 0 323.387 1.199 10 0 DDAERO COC[C@H]([NH3+])C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000263261406 408078380 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CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)N1CCC[C@H](C)C1 ZINC000175392467 408119200 /nfs/dbraw/zinc/11/92/00/408119200.db2.gz LLOKIYNAVDBVJC-KBPBESRZSA-N 1 0 303.472 1.379 10 0 DDAERO CCOCC[N@@H+]1CCN([C@H](C)CN2CCOCC2)C[C@@H]1CC ZINC000246018103 408121250 /nfs/dbraw/zinc/12/12/50/408121250.db2.gz LDLWZLXDNLJAOF-SJORKVTESA-N 1 0 313.486 1.140 10 0 DDAERO CC[C@@H]1CN(C(=O)NC[C@]2(C)CCCO2)CC[N@@H+]1C[C@@H](C)O ZINC000181951582 408055059 /nfs/dbraw/zinc/05/50/59/408055059.db2.gz KDQFTWKHTRDIBN-FMKPAKJESA-N 1 0 313.442 1.042 10 0 DDAERO C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000121379151 408195256 /nfs/dbraw/zinc/19/52/56/408195256.db2.gz RXICYAPHCFIBAF-BHYGNILZSA-N 1 0 320.433 1.990 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2ncnn2CC(C)C)C[C@H]1CC ZINC000182752048 408238350 /nfs/dbraw/zinc/23/83/50/408238350.db2.gz YKGBQLYYVDISPF-MRXNPFEDSA-N 1 0 323.485 1.867 10 0 DDAERO CCc1nc(NC(=O)CN2CC[N@@H+]3CCC[C@H]3C2)sc1C ZINC000246415700 408251174 /nfs/dbraw/zinc/25/11/74/408251174.db2.gz 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/nfs/dbraw/zinc/67/66/61/163676661.db2.gz DORYRKFDQICLQW-UMVBOHGHSA-N 1 0 307.438 1.363 10 0 DDAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000261702194 163687324 /nfs/dbraw/zinc/68/73/24/163687324.db2.gz IMKIJUAUCGWUQC-GXTWGEPZSA-N 1 0 304.394 1.374 10 0 DDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000261753349 163696978 /nfs/dbraw/zinc/69/69/78/163696978.db2.gz QIRRRBIBLQVOGD-CZUORRHYSA-N 1 0 303.406 1.313 10 0 DDAERO CC1(C)CN(S(=O)(=O)c2c(F)cc(F)cc2F)CC[C@H]1[NH3+] ZINC000261797544 163705184 /nfs/dbraw/zinc/70/51/84/163705184.db2.gz YMFMVSAOHMPDEZ-LLVKDONJSA-N 1 0 322.352 1.852 10 0 DDAERO CC1(C)CN(S(=O)(=O)c2ccc3c(c2)COC3)CC[C@H]1[NH3+] ZINC000261926257 163730650 /nfs/dbraw/zinc/73/06/50/163730650.db2.gz ZHQZPDLEEXSJTO-CQSZACIVSA-N 1 0 310.419 1.465 10 0 DDAERO CC(C)c1noc(-c2ccccc2C(=O)NCC2C[NH2+]C2)n1 ZINC000262016311 163749675 /nfs/dbraw/zinc/74/96/75/163749675.db2.gz KZKZSKWVBMDILM-UHFFFAOYSA-N 1 0 300.362 1.809 10 0 DDAERO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC1CCC(C(F)(F)F)CC1 ZINC000262057413 163758725 /nfs/dbraw/zinc/75/87/25/163758725.db2.gz DQTFOWOKQNSASY-CBINBANVSA-N 1 0 323.359 1.323 10 0 DDAERO COCCOc1ccc([C@@H](C)NC(=O)[C@@H](C)C[NH3+])cc1OC ZINC000262167834 163779676 /nfs/dbraw/zinc/77/96/76/163779676.db2.gz JWMNNSAIQHHVIR-NWDGAFQWSA-N 1 0 310.394 1.492 10 0 DDAERO CC[C@H](NC(=O)[C@H]([NH3+])COC)c1ccccc1OC(F)F ZINC000262311936 163804683 /nfs/dbraw/zinc/80/46/83/163804683.db2.gz PDNUATZXQGXYSB-MNOVXSKESA-N 1 0 302.321 1.829 10 0 DDAERO CC(C)(Cc1cccc(Cl)c1)C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262323897 163806302 /nfs/dbraw/zinc/80/63/02/163806302.db2.gz RPLSTHOEMYAHPK-GXTWGEPZSA-N 1 0 310.825 1.605 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000262512086 163841177 /nfs/dbraw/zinc/84/11/77/163841177.db2.gz JSBPONGKAZPKHJ-RRFJBIMHSA-N 1 0 308.378 1.281 10 0 DDAERO [NH3+]C1CN(C(=O)c2sccc2I)C1 ZINC000306369254 409771980 /nfs/dbraw/zinc/77/19/80/409771980.db2.gz IKIUULULKHQUKY-UHFFFAOYSA-N 1 0 308.144 1.136 10 0 DDAERO COc1ccc(Cc2noc([C@H]3CC[C@@H](C[NH3+])O3)n2)cc1OC ZINC000322183284 409916126 /nfs/dbraw/zinc/91/61/26/409916126.db2.gz FSOLNVZOPISGHM-WCQYABFASA-N 1 0 319.361 1.856 10 0 DDAERO Cc1cccc2c(NC[C@H](O)CN3CCOCC3)cc[nH+]c12 ZINC000301727333 410783082 /nfs/dbraw/zinc/78/30/82/410783082.db2.gz NIZNZHXSQCDSPS-AWEZNQCLSA-N 1 0 301.390 1.648 10 0 DDAERO COC(=O)C[C@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1ccccc1 ZINC000131776400 196198647 /nfs/dbraw/zinc/19/86/47/196198647.db2.gz KIKGQCVJWLGRDP-KBPBESRZSA-N 1 0 322.430 1.502 10 0 DDAERO O=S(=O)(NC[C@@H]1CC[NH2+]C1)c1ccccc1OC(F)(F)F ZINC000131872864 196206012 /nfs/dbraw/zinc/20/60/12/196206012.db2.gz WGVSYIMFBJXLRG-SECBINFHSA-N 1 0 324.324 1.473 10 0 DDAERO COc1nc(NCCOCCC[NH3+])ncc1Br ZINC000630535876 417817789 /nfs/dbraw/zinc/81/77/89/417817789.db2.gz GVHSHFFCZOMSGT-UHFFFAOYSA-N 1 0 305.176 1.025 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000044572041 418429891 /nfs/dbraw/zinc/42/98/91/418429891.db2.gz KISHLIZTJUAVDY-HIFRSBDPSA-N 1 0 318.421 1.797 10 0 DDAERO CCOC[C@@H]1CC[N@H+](CC2(O)CCC(C(=O)OCC)CC2)C1 ZINC000190924345 222093035 /nfs/dbraw/zinc/09/30/35/222093035.db2.gz OWISJDKIXVYLDR-HPUBIQBYSA-N 1 0 313.438 1.829 10 0 DDAERO CC[C@H]1CN(C(=O)NCC2(SC)CC2)CC[N@@H+]1CCOC ZINC000195169720 222193826 /nfs/dbraw/zinc/19/38/26/222193826.db2.gz ZCULDWKEKBGXNS-ZDUSSCGKSA-N 1 0 315.483 1.634 10 0 DDAERO C[C@@](O)(C[N@@H+]1CCC[C@H]1[C@H]1COCC[C@]1(C)O)C(F)(F)F ZINC000375468402 418643992 /nfs/dbraw/zinc/64/39/92/418643992.db2.gz JNEIKFZOSBZBQV-MROQNXINSA-N 1 0 311.344 1.552 10 0 DDAERO O[C@@H](COCc1ccccc1)CN1CC[NH+](CCCF)CC1 ZINC000402526084 418766956 /nfs/dbraw/zinc/76/69/56/418766956.db2.gz HSGSBYODFHEFBN-QGZVFWFLSA-N 1 0 310.413 1.541 10 0 DDAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3nscc3Br)C[C@H]12 ZINC000404783275 418772670 /nfs/dbraw/zinc/77/26/70/418772670.db2.gz OJIDJDWDUTUKFQ-BKPPORCPSA-N 1 0 316.224 1.715 10 0 DDAERO c1cn([C@@H]2CCC[NH2+]C2)nc1-c1nc(Cc2cccnc2)no1 ZINC000571876442 304492160 /nfs/dbraw/zinc/49/21/60/304492160.db2.gz WHVSAFFWPFPXRV-CYBMUJFWSA-N 1 0 310.361 1.843 10 0 DDAERO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC000372538376 418880390 /nfs/dbraw/zinc/88/03/90/418880390.db2.gz MAIVSDGWGNWOOU-MCIONIFRSA-N 1 0 305.426 1.840 10 0 DDAERO O=C(c1cc(F)c(Cl)cc1Cl)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424045184 228222586 /nfs/dbraw/zinc/22/25/86/228222586.db2.gz MGGUCXQTWDWSST-NWDGAFQWSA-N 1 0 319.163 1.945 10 0 DDAERO Nc1nc([C@@H]2CC[N@H+](CCc3ccccc3F)C2)cc(=O)[nH]1 ZINC000630379266 422064194 /nfs/dbraw/zinc/06/41/94/422064194.db2.gz VXPULELRDLPHFK-GFCCVEGCSA-N 1 0 302.353 1.766 10 0 DDAERO CO[C@H]1CN(C(=O)c2ccc(Br)o2)[C@](C)(C[NH3+])C1 ZINC000630363161 422050197 /nfs/dbraw/zinc/05/01/97/422050197.db2.gz QTZLZANQUWDANM-PELKAZGASA-N 1 0 317.183 1.620 10 0 DDAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000583617595 422202281 /nfs/dbraw/zinc/20/22/81/422202281.db2.gz IGLUCPHTPXXFJP-GJZGRUSLSA-N 1 0 304.390 1.177 10 0 DDAERO Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]CCc2ccccc2F)cn1 ZINC000583623257 422208452 /nfs/dbraw/zinc/20/84/52/422208452.db2.gz IPWAKBHMDCTYOO-WBVHZDCISA-N 1 0 316.380 1.711 10 0 DDAERO CC(C)(C)OC(=O)NCC[NH+]1CCC(Nc2cc[nH]n2)CC1 ZINC000616619750 422515957 /nfs/dbraw/zinc/51/59/57/422515957.db2.gz QGQPHGLJBBKQMM-UHFFFAOYSA-N 1 0 309.414 1.811 10 0 DDAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCC[C@H]1CCCO1 ZINC000637901488 422460996 /nfs/dbraw/zinc/46/09/96/422460996.db2.gz DTSCRQPZYBFVLH-NUEKZKHPSA-N 1 0 306.406 1.604 10 0 DDAERO C[C@@H]1CN(C(=O)c2cc(Br)ccc2O)C[C@@H]1C[NH3+] ZINC000638893173 423180569 /nfs/dbraw/zinc/18/05/69/423180569.db2.gz LSQZHNBWZOTJBQ-BDAKNGLRSA-N 1 0 313.195 1.822 10 0 DDAERO CCS[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CN1CCCC1=O ZINC000190064121 263443695 /nfs/dbraw/zinc/44/36/95/263443695.db2.gz SGIFHPKBKCFHKL-BFHYXJOUSA-N 1 0 300.468 1.624 10 0 DDAERO O=C(NCc1cccc(Cl)c1Cl)[C@@H]1C[NH2+]CCOC1 ZINC000643629626 423225510 /nfs/dbraw/zinc/22/55/10/423225510.db2.gz SBVGBAINPZZKKU-SNVBAGLBSA-N 1 0 303.189 1.846 10 0 DDAERO COC[C@]1(C(=O)NCc2ccc(F)c(Cl)c2)CCC[NH2+]1 ZINC000643629681 423226555 /nfs/dbraw/zinc/22/65/55/423226555.db2.gz WJWNMPRHDBTKMV-AWEZNQCLSA-N 1 0 300.761 1.864 10 0 DDAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCO[C@@H](c3nccs3)C2)C1 ZINC000341629922 271146802 /nfs/dbraw/zinc/14/68/02/271146802.db2.gz GPXLVMCFEPZWGE-JHJVBQTASA-N 1 0 324.450 1.709 10 0 DDAERO COC(=O)c1sc2nc(C)nc(N3CC[NH2+]CC3)c2c1C ZINC000020319591 274010902 /nfs/dbraw/zinc/01/09/02/274010902.db2.gz GNHKSHFUJBVTJN-UHFFFAOYSA-N 1 0 306.391 1.504 10 0 DDAERO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 ZINC000262552039 274238970 /nfs/dbraw/zinc/23/89/70/274238970.db2.gz SPIMTNFNHOEQKD-RKDXNWHRSA-N 1 0 314.315 1.707 10 0 DDAERO COc1cc(S(=O)(=O)N2CCCC[C@@H]2C[NH3+])ccc1F ZINC000193246070 277387903 /nfs/dbraw/zinc/38/79/03/277387903.db2.gz RBOZAPVDFQGFOS-SNVBAGLBSA-N 1 0 302.371 1.336 10 0 DDAERO Cc1cnn(CCNC(=O)NCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000118055093 279033519 /nfs/dbraw/zinc/03/35/19/279033519.db2.gz BVNVOYZCEHUXIS-OAHLLOKOSA-N 1 0 307.442 1.755 10 0 DDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc2c1O[C@@H](C)C(=O)N2 ZINC000248843785 279035727 /nfs/dbraw/zinc/03/57/27/279035727.db2.gz HCTAWDUIVHCNPU-JBLDHEPKSA-N 1 0 303.362 1.276 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCCN(C(=O)C3CC3)CC2)C1 ZINC000187717692 279318527 /nfs/dbraw/zinc/31/85/27/279318527.db2.gz SXLLBNHLSGLMCN-HNNXBMFYSA-N 1 0 322.453 1.125 10 0 DDAERO CCN1CCC[C@H]1C[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000132191761 279327998 /nfs/dbraw/zinc/32/79/98/279327998.db2.gz BRTCNICYKBOATK-GJZGRUSLSA-N 1 0 317.499 1.074 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(CCC(=O)N(C)c2ccccc2)C[C@H]1C ZINC000247046003 282031312 /nfs/dbraw/zinc/03/13/12/282031312.db2.gz ZCBDTYRCDQSSJF-CVEARBPZSA-N 1 0 319.449 1.426 10 0 DDAERO C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000333860839 289045860 /nfs/dbraw/zinc/04/58/60/289045860.db2.gz RZWOIXVPAHJSSP-QKPAOTATSA-N 1 0 324.469 1.009 10 0 DDAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)Nc2ccc(N(C)C)cc2)c1 ZINC000171600369 293002724 /nfs/dbraw/zinc/00/27/24/293002724.db2.gz CWKLVVITOLIJJA-CQSZACIVSA-N 1 0 315.421 1.874 10 0 DDAERO C[C@H](C(=O)NCCc1csc(N2CCCC2)n1)C1C[NH2+]C1 ZINC000262027280 298156665 /nfs/dbraw/zinc/15/66/65/298156665.db2.gz BBEWIAGSWLKYQS-NSHDSACASA-N 1 0 308.451 1.258 10 0 DDAERO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000374073646 307202436 /nfs/dbraw/zinc/20/24/36/307202436.db2.gz BWEYLLGUDJEULJ-CWVYHPPDSA-N 1 0 315.479 1.683 10 0 DDAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000390178411 307293606 /nfs/dbraw/zinc/29/36/06/307293606.db2.gz IZTSQRXJKSHYHF-PBHICJAKSA-N 1 0 312.417 1.936 10 0 DDAERO Cc1cc(NC[C@H]2C[NH2+]CCCO2)ncc1Br ZINC000390211373 307293620 /nfs/dbraw/zinc/29/36/20/307293620.db2.gz LKMYCJAIJKIPLI-SNVBAGLBSA-N 1 0 300.200 1.365 10 0 DDAERO C[NH+](C)C[C@@H](NC(=O)CCn1ccccc1=O)c1ccccc1 ZINC000097252041 484019920 /nfs/dbraw/zinc/01/99/20/484019920.db2.gz OIFCWLUWPFQCAX-MRXNPFEDSA-N 1 0 313.401 1.658 10 0 DDAERO CC(C)[C@H]([NH3+])CC(=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000136472139 484035574 /nfs/dbraw/zinc/03/55/74/484035574.db2.gz BPQDMCAOWNLINX-MRVPVSSYSA-N 1 0 305.304 1.013 10 0 DDAERO COc1cc(Cl)c(CNC[C@@H]2C[NH2+]C[C@@H]2O)cc1Cl ZINC000262069836 484261417 /nfs/dbraw/zinc/26/14/17/484261417.db2.gz CBWQSGRKLQNPEF-SKDRFNHKSA-N 1 0 305.205 1.672 10 0 DDAERO CC(C)c1nn(C)c2sc(C(=O)NC[C@@H]3C[NH2+]C[C@@H]3O)cc12 ZINC000262075361 484261335 /nfs/dbraw/zinc/26/13/35/484261335.db2.gz BZIVVOBGTZBSQZ-ONGXEEELSA-N 1 0 322.434 1.068 10 0 DDAERO O=C(CSc1ccc(Cl)cc1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262100075 484262666 /nfs/dbraw/zinc/26/26/66/484262666.db2.gz DRWIYDVTTJVPRX-CABZTGNLSA-N 1 0 300.811 1.129 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(F)c(C(F)(F)F)c1 ZINC000262245437 484266445 /nfs/dbraw/zinc/26/64/45/484266445.db2.gz 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CC[NH2+][C@H]1CCC2(C[C@H]1Sc1nnc(C)n1C)OCCO2 ZINC000081886106 192334312 /nfs/dbraw/zinc/33/43/12/192334312.db2.gz ZPYIYARVZBXMDH-NWDGAFQWSA-N 1 0 312.439 1.489 10 0 DDAERO COc1ccc([C@H]([NH3+])CSc2nnc(C)n2C)c(OC)c1 ZINC000081886356 192334374 /nfs/dbraw/zinc/33/43/74/192334374.db2.gz KMWHJXOKUDXVCH-GFCCVEGCSA-N 1 0 308.407 1.933 10 0 DDAERO CC[NH2+][C@@H]1CCC2(C[C@H]1Sc1nnc(C)n1C)OCCO2 ZINC000081886105 192334439 /nfs/dbraw/zinc/33/44/39/192334439.db2.gz ZPYIYARVZBXMDH-VXGBXAGGSA-N 1 0 312.439 1.489 10 0 DDAERO C[NH2+][C@@H](C)c1cccc(NC(=O)N[C@H](C)CS(C)(=O)=O)c1 ZINC000081905948 192337428 /nfs/dbraw/zinc/33/74/28/192337428.db2.gz INCIHSHXBGJRKK-MNOVXSKESA-N 1 0 313.423 1.522 10 0 DDAERO CCC[C@H](C(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O)[NH+](C)C ZINC000162284341 197556813 /nfs/dbraw/zinc/55/68/13/197556813.db2.gz NRAUDHWZBQNXKL-JKSUJKDBSA-N 1 0 317.433 1.947 10 0 DDAERO CCC[NH2+][C@H]1CCC2(C[C@H]1S(=O)(=O)[C@@H](C)CC)OCCO2 ZINC000081937271 192342549 /nfs/dbraw/zinc/34/25/49/192342549.db2.gz PARMHHXQAZEWJL-MELADBBJSA-N 1 0 319.467 1.864 10 0 DDAERO CC[C@@H](C)S(=O)(=O)C[C@@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000081938109 192342924 /nfs/dbraw/zinc/34/29/24/192342924.db2.gz WEFVAFIAAPFGTR-ZYHUDNBSSA-N 1 0 301.408 1.917 10 0 DDAERO CC(C)(C)[C@H](CC[NH3+])CCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000079288596 185163488 /nfs/dbraw/zinc/16/34/88/185163488.db2.gz FVPIRHJHGCQIQO-NWDGAFQWSA-N 1 0 304.456 1.081 10 0 DDAERO CN(CCC[NH3+])S(=O)(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000079337723 185165709 /nfs/dbraw/zinc/16/57/09/185165709.db2.gz XTBDDCOLAIGQRQ-CYBMUJFWSA-N 1 0 305.488 1.660 10 0 DDAERO CC(C)(C)[C@@H]1CCCN(CC[NH2+]CCS(C)(=O)=O)CC1 ZINC000079415746 185170863 /nfs/dbraw/zinc/17/08/63/185170863.db2.gz VAFVADQMXSRKPG-CQSZACIVSA-N 1 0 304.500 1.769 10 0 DDAERO C[NH2+][C@@](C)(CCSc1ncccc1Br)C(N)=O ZINC000079447056 185172109 /nfs/dbraw/zinc/17/21/09/185172109.db2.gz IOHMJVDEBMBENJ-NSHDSACASA-N 1 0 318.240 1.790 10 0 DDAERO CC(C)CCN(C1CC1)[C@]1(C[NH3+])CCC[C@@H]1S(C)(=O)=O ZINC000096875782 185389981 /nfs/dbraw/zinc/38/99/81/185389981.db2.gz MTLKRIVBFDYWNL-GJZGRUSLSA-N 1 0 302.484 1.792 10 0 DDAERO COc1cc(C)c(C)cc1S(=O)(=O)N(C)[C@@H]1CCC[NH2+]C1 ZINC000082348516 185176798 /nfs/dbraw/zinc/17/67/98/185176798.db2.gz APCAPNQJLRVODA-CYBMUJFWSA-N 1 0 312.435 1.685 10 0 DDAERO CC(C)([C@@H](O)[C@@H](C[NH3+])c1ccc(F)cc1F)S(C)(=O)=O ZINC000087382955 185223148 /nfs/dbraw/zinc/22/31/48/185223148.db2.gz BGYCANMBOAGEOR-JQWIXIFHSA-N 1 0 307.362 1.191 10 0 DDAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000087404332 185223815 /nfs/dbraw/zinc/22/38/15/185223815.db2.gz YJLAEGYCYRXEFE-JTQLQIEISA-N 1 0 302.396 1.110 10 0 DDAERO CCC[C@H](C[NH3+])NS(=O)(=O)Cc1cccc(C(=O)OC)c1 ZINC000087404179 185223824 /nfs/dbraw/zinc/22/38/24/185223824.db2.gz ZUQBPYMAPJBETJ-CYBMUJFWSA-N 1 0 314.407 1.020 10 0 DDAERO CC(C)[C@H](C[NH3+])NS(=O)(=O)c1ccc2c(c1)[C@H](C)C(=O)N2 ZINC000087404630 185224102 /nfs/dbraw/zinc/22/41/02/185224102.db2.gz BRXCBOUQZYIAEA-ZANVPECISA-N 1 0 311.407 1.004 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1CNCc1sccc1Br ZINC000087575909 185228711 /nfs/dbraw/zinc/22/87/11/185228711.db2.gz PQHJDNXWGLIHDK-PSASIEDQSA-N 1 0 305.241 1.835 10 0 DDAERO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152262714 539200733 /nfs/dbraw/zinc/20/07/33/539200733.db2.gz QZOZDXJCUZSVQW-XIRDDKMYSA-N 1 0 322.405 1.091 10 0 DDAERO Cc1nnc(SCC(=O)N(C)C2CCCCC2)n1CC[NH3+] ZINC000087711396 185230891 /nfs/dbraw/zinc/23/08/91/185230891.db2.gz GCMSQFVERGNILQ-UHFFFAOYSA-N 1 0 311.455 1.428 10 0 DDAERO Cc1nnc(SCC(=O)Nc2ccc(C)cc2)n1CC[NH3+] ZINC000087714878 185230968 /nfs/dbraw/zinc/23/09/68/185230968.db2.gz WFNIUVXCBUAADQ-UHFFFAOYSA-N 1 0 305.407 1.584 10 0 DDAERO CCOC(=O)CS(=O)(=O)[C@@H](C)[C@H]([NH3+])c1ccc(CC)cc1 ZINC000081977259 192347768 /nfs/dbraw/zinc/34/77/68/192347768.db2.gz BMOAFCJXPZFJBP-NHYWBVRUSA-N 1 0 313.419 1.615 10 0 DDAERO CC[NH2+][C@H]1CCCCCC[C@@H]1S(=O)(=O)CC(=O)OCC ZINC000081977558 192347919 /nfs/dbraw/zinc/34/79/19/192347919.db2.gz NEOVLXMCGXVCAV-STQMWFEESA-N 1 0 305.440 1.665 10 0 DDAERO C[C@H](C[NH3+])S(=O)(=O)Cc1ccc(F)c(Br)c1 ZINC000088068836 185238654 /nfs/dbraw/zinc/23/86/54/185238654.db2.gz UXPBGDUYSAXPEM-SSDOTTSWSA-N 1 0 310.188 1.850 10 0 DDAERO [NH3+]CCC[S@@](=O)CCOc1ccc(Br)cc1 ZINC000088066609 185238702 /nfs/dbraw/zinc/23/87/02/185238702.db2.gz AQPGYOJXLIDSLH-INIZCTEOSA-N 1 0 306.225 1.925 10 0 DDAERO COc1ccc(CN(C)C2CC[NH+](C)CC2)cc1C(N)=S ZINC000087832381 185232565 /nfs/dbraw/zinc/23/25/65/185232565.db2.gz SMFZKKBKVNWKRS-UHFFFAOYSA-N 1 0 307.463 1.855 10 0 DDAERO CN(c1nc(NN)[nH+]cc1Br)[C@@H]1CCCN(C)C1 ZINC000087869748 185234086 /nfs/dbraw/zinc/23/40/86/185234086.db2.gz ZJLJHFZWAUPSSC-MRVPVSSYSA-N 1 0 315.219 1.055 10 0 DDAERO CCc1nc(CC)n(-c2nc(NN)[nH+]cc2Br)n1 ZINC000087867936 185234208 /nfs/dbraw/zinc/23/42/08/185234208.db2.gz PZHDFGATRDCCQF-UHFFFAOYSA-N 1 0 312.175 1.230 10 0 DDAERO CCc1nn(C)cc1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000180079751 539235412 /nfs/dbraw/zinc/23/54/12/539235412.db2.gz DRVZLJZHNALQHC-UHFFFAOYSA-N 1 0 300.410 1.849 10 0 DDAERO CC(C)Cc1nnc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCCO2)s1 ZINC000183130842 539240805 /nfs/dbraw/zinc/24/08/05/539240805.db2.gz AEGJGQPFBSRVFR-WDEREUQCSA-N 1 0 312.439 1.832 10 0 DDAERO CNC(=O)[C@H]([NH2+]Cc1cccc(C(=O)NCC(C)C)c1)C(C)C ZINC000183642434 539242569 /nfs/dbraw/zinc/24/25/69/539242569.db2.gz QHLJXGZKGOUBAL-MRXNPFEDSA-N 1 0 319.449 1.933 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)Nc1ccc(F)c(Cl)c1)C(C)C ZINC000183638127 539242716 /nfs/dbraw/zinc/24/27/16/539242716.db2.gz DEEBRSJFHIBGMN-CYBMUJFWSA-N 1 0 315.776 1.778 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)N[C@H](C)c1ccc(C)c(C)c1)C(C)C ZINC000183668798 539242848 /nfs/dbraw/zinc/24/28/48/539242848.db2.gz CFLPUUWAXHDXGE-RHSMWYFYSA-N 1 0 319.449 1.841 10 0 DDAERO CCOc1ccc(NS(=O)(=O)[C@@H](CC)C[NH3+])cc1OCC ZINC000088472136 185252350 /nfs/dbraw/zinc/25/23/50/185252350.db2.gz PGJOISLTLVRIMN-LBPRGKRZSA-N 1 0 316.423 1.963 10 0 DDAERO CCCCc1nc(Cl)c(C[NH2+]CCCS(C)(=O)=O)[nH]1 ZINC000088399042 185248424 /nfs/dbraw/zinc/24/84/24/185248424.db2.gz PZJXOZCLSLHSKD-UHFFFAOYSA-N 1 0 307.847 1.930 10 0 DDAERO Cc1n[nH]c(C)c1S(=O)(=O)N1CC[NH2+]CC12CCCCC2 ZINC000088396197 185248542 /nfs/dbraw/zinc/24/85/42/185248542.db2.gz JHCJJZDGENYLEW-UHFFFAOYSA-N 1 0 312.439 1.323 10 0 DDAERO CCC1(C(=O)Nc2cnc(Br)cn2)CC[NH2+]CC1 ZINC000088446408 185251235 /nfs/dbraw/zinc/25/12/35/185251235.db2.gz BRWGRDWVWJFDQF-UHFFFAOYSA-N 1 0 313.199 1.957 10 0 DDAERO CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(C[NH2+]C)o1 ZINC000088544070 185256900 /nfs/dbraw/zinc/25/69/00/185256900.db2.gz WAIGXORMPGPLIT-UHFFFAOYSA-N 1 0 314.329 1.962 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)N[C@H]2CCc3ccccc3C2)o1 ZINC000088542484 185256372 /nfs/dbraw/zinc/25/63/72/185256372.db2.gz ZDZHASLYJSSXEC-ZDUSSCGKSA-N 1 0 306.387 1.574 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N(C)c2ccc(OC)cc2)o1 ZINC000088544258 185256581 /nfs/dbraw/zinc/25/65/81/185256581.db2.gz HSOWIPVMGLCQRR-UHFFFAOYSA-N 1 0 310.375 1.833 10 0 DDAERO Cc1nn(C)c2sc(C(=O)N[C@@H]3CCCC[C@H]3[NH3+])c(N)c12 ZINC000088641335 185261111 /nfs/dbraw/zinc/26/11/11/185261111.db2.gz IGWMNXVHPMXQJI-RKDXNWHRSA-N 1 0 307.423 1.525 10 0 DDAERO Cc1nn(C)c2sc(C(=O)NCC[N@H+](C)C3CC3)c(N)c12 ZINC000088643306 185261379 /nfs/dbraw/zinc/26/13/79/185261379.db2.gz DSIINJVIQHXLDS-UHFFFAOYSA-N 1 0 307.423 1.349 10 0 DDAERO NC(=O)[C@@H]1C[NH2+]CCN1Cc1cc(Cl)ccc1OC(F)F ZINC000088672540 185262148 /nfs/dbraw/zinc/26/21/48/185262148.db2.gz SQAJKNPRWFQYAY-JTQLQIEISA-N 1 0 319.739 1.201 10 0 DDAERO CCn1cncc1[C@H](C[NH3+])N1CCN(c2nccs2)CC1 ZINC000090174296 185285011 /nfs/dbraw/zinc/28/50/11/185285011.db2.gz BWVOURHEOMTVNS-LBPRGKRZSA-N 1 0 306.439 1.182 10 0 DDAERO COc1ccc([C@@H](C)NS(=O)(=O)C[C@@H]2CCCC[NH2+]2)cc1 ZINC000090310740 185290409 /nfs/dbraw/zinc/29/04/09/185290409.db2.gz NFLJBGLPLVAZEB-OCCSQVGLSA-N 1 0 312.435 1.818 10 0 DDAERO O=S(=O)(c1cccc(C(F)(F)F)c1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090321906 185290952 /nfs/dbraw/zinc/29/09/52/185290952.db2.gz LFKNTSKVEQQPDX-NXEZZACHSA-N 1 0 320.336 1.545 10 0 DDAERO O=C(c1ccc(Br)cc1F)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090321395 185291027 /nfs/dbraw/zinc/29/10/27/185291027.db2.gz SXUWRFNOECAFAK-IUCAKERBSA-N 1 0 313.170 1.880 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)c1ccc(Br)cn1 ZINC000090330610 185291207 /nfs/dbraw/zinc/29/12/07/185291207.db2.gz YIMJNMINLDQIKQ-IRUJWGPZSA-N 1 0 324.222 1.914 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1C1=NS(=O)(=O)c2ccccc21 ZINC000090338864 185291865 /nfs/dbraw/zinc/29/18/65/185291865.db2.gz HSIMGTWMLLBZLQ-JQWIXIFHSA-N 1 0 305.403 1.065 10 0 DDAERO [NH3+][C@H]1COC[C@H]1c1nc(-c2cccc(Br)c2)no1 ZINC000090364324 185292880 /nfs/dbraw/zinc/29/28/80/185292880.db2.gz HNXXGGLIKXVCQY-ZJUUUORDSA-N 1 0 310.151 1.940 10 0 DDAERO CC[NH2+][C@H]1CCC(C)(C)C[C@H]1S(=O)(=O)CCC(=O)OC ZINC000082009732 192353930 /nfs/dbraw/zinc/35/39/30/192353930.db2.gz BILRAOJLRWJXNK-NWDGAFQWSA-N 1 0 305.440 1.521 10 0 DDAERO [NH3+][C@H]1COC[C@H]1C(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000090381890 185293506 /nfs/dbraw/zinc/29/35/06/185293506.db2.gz IUJZSXSLLQUFFX-NEPJUHHUSA-N 1 0 302.296 1.551 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)NCc1ccc(Br)cc1 ZINC000090431954 185296050 /nfs/dbraw/zinc/29/60/50/185296050.db2.gz PBIIPDHTHOGLRC-NWDGAFQWSA-N 1 0 313.195 1.300 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)NCc1ccccc1Br ZINC000090436754 185296164 /nfs/dbraw/zinc/29/61/64/185296164.db2.gz NMQVXDRHSPBEKS-PWSUYJOCSA-N 1 0 313.195 1.300 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1ncccc1Br ZINC000090438452 185296463 /nfs/dbraw/zinc/29/64/63/185296463.db2.gz UYJAGNLABMYLOH-APPZFPTMSA-N 1 0 300.156 1.017 10 0 DDAERO COC(=O)c1ccc(Cl)cc1NC(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000090585835 185305062 /nfs/dbraw/zinc/30/50/62/185305062.db2.gz ZVYLXIULEZPZNK-RISCZKNCSA-N 1 0 312.753 1.429 10 0 DDAERO C[C@@]1(C(=O)Nc2cc3c(cc2Cl)NC(=O)C3)COC[C@H]1[NH3+] ZINC000090586723 185305231 /nfs/dbraw/zinc/30/52/31/185305231.db2.gz BFJAVDQNMOVMJY-BXUZGUMPSA-N 1 0 309.753 1.137 10 0 DDAERO C[C@@]1(C(=O)Nc2ccc(Br)cn2)COC[C@H]1[NH3+] ZINC000090582121 185304869 /nfs/dbraw/zinc/30/48/69/185304869.db2.gz ABCLGAUVFNRGDY-LDYMZIIASA-N 1 0 300.156 1.146 10 0 DDAERO CCC[NH2+]C[C@@H](C)c1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C ZINC000092320350 185312008 /nfs/dbraw/zinc/31/20/08/185312008.db2.gz ONZTUBBEQLKASM-RISCZKNCSA-N 1 0 313.467 1.963 10 0 DDAERO Cc1cc(NS(=O)(=O)c2cccc(C(N)=S)c2)cc[nH+]1 ZINC000092350155 185313401 /nfs/dbraw/zinc/31/34/01/185313401.db2.gz UMXMGQHEJGGCSN-UHFFFAOYSA-N 1 0 307.400 1.825 10 0 DDAERO Cc1cc(NS(=O)(=O)Cc2ccccc2C(N)=S)cc[nH+]1 ZINC000092350162 185313645 /nfs/dbraw/zinc/31/36/45/185313645.db2.gz YRTFEKFSZMAQRD-UHFFFAOYSA-N 1 0 321.427 1.966 10 0 DDAERO [NH3+]CC1([C@H](O)c2ncc(I)s2)CC1 ZINC000307394997 539293983 /nfs/dbraw/zinc/29/39/83/539293983.db2.gz FWYTVFKPAZBXKC-ZCFIWIBFSA-N 1 0 310.160 1.520 10 0 DDAERO Cc1noc(C)c1CNS(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000092339711 185312902 /nfs/dbraw/zinc/31/29/02/185312902.db2.gz JAWDADDXWSNUFP-SECBINFHSA-N 1 0 309.391 1.790 10 0 DDAERO CCNc1ccncc1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000092672235 185332940 /nfs/dbraw/zinc/33/29/40/185332940.db2.gz MMUDYOSEAIPGHO-LBPRGKRZSA-N 1 0 312.439 1.228 10 0 DDAERO CCNc1ccc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1 ZINC000092672416 185332956 /nfs/dbraw/zinc/33/29/56/185332956.db2.gz PGCAKYFBDAKFMU-CQSZACIVSA-N 1 0 311.451 1.833 10 0 DDAERO Cc1cc(N)c(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1C ZINC000092622036 185329849 /nfs/dbraw/zinc/32/98/49/185329849.db2.gz KZKYVNRPVOTECV-ZDUSSCGKSA-N 1 0 311.451 1.600 10 0 DDAERO CN(CC(=O)Nc1ccc(Cl)c(N)c1)C[C@@H]1CCC[N@@H+]1C ZINC000092621881 185330031 /nfs/dbraw/zinc/33/00/31/185330031.db2.gz LJFWIKYMAKSXNS-LBPRGKRZSA-N 1 0 310.829 1.887 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(F)ccc1N ZINC000092622787 185330096 /nfs/dbraw/zinc/33/00/96/185330096.db2.gz ZTBBOLYOUBRCOK-GFCCVEGCSA-N 1 0 315.414 1.513 10 0 DDAERO C[NH+](C)CCOc1cc2c(cc1Br)[C@@H](N)C(=O)N2 ZINC000092776757 185339668 /nfs/dbraw/zinc/33/96/68/185339668.db2.gz YYYCHUZMFDYKGU-LLVKDONJSA-N 1 0 314.183 1.341 10 0 DDAERO CC(C)(CCc1ccccc1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC000154899740 290681442 /nfs/dbraw/zinc/68/14/42/290681442.db2.gz ANQGZEJDSFQBFY-INIZCTEOSA-N 1 0 304.434 1.971 10 0 DDAERO CSc1nsc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1 ZINC000092928051 185349430 /nfs/dbraw/zinc/34/94/30/185349430.db2.gz FXPKPXMFEKZPHS-RKDXNWHRSA-N 1 0 313.452 1.960 10 0 DDAERO COc1cc(CN(C)C(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc(OC)c1 ZINC000261603140 282287915 /nfs/dbraw/zinc/28/79/15/282287915.db2.gz AEPDRTAICWTOQW-DOMZBBRYSA-N 1 0 308.378 1.169 10 0 DDAERO O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261919839 282289497 /nfs/dbraw/zinc/28/94/97/282289497.db2.gz YPXFRMGGRNMZIR-QLFBSQMISA-N 1 0 319.449 1.236 10 0 DDAERO C[C@H]1CCC[C@@](C[NH3+])(NS(=O)(=O)N2CCCC[C@@H]2C)C1 ZINC000111373908 185589899 /nfs/dbraw/zinc/58/98/99/185589899.db2.gz WSCVOIRKMDBAMA-MELADBBJSA-N 1 0 303.472 1.603 10 0 DDAERO [NH3+]CCOCCNc1ccccc1S(=O)(=O)C(F)(F)F ZINC000111374930 185590090 /nfs/dbraw/zinc/59/00/90/185590090.db2.gz HJLXXSYTKOSJQL-UHFFFAOYSA-N 1 0 312.313 1.367 10 0 DDAERO Cc1ncsc1CN(C)S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000111672219 185623776 /nfs/dbraw/zinc/62/37/76/185623776.db2.gz OWCWLDLPBRGGRI-UHFFFAOYSA-N 1 0 311.432 1.731 10 0 DDAERO CCC[NH2+][C@@H](C)[C@H]1CCCCN1S(=O)(=O)C[C@@H]1CCCO1 ZINC000111715701 185629943 /nfs/dbraw/zinc/62/99/43/185629943.db2.gz XCLAOZAZOJBVGP-SOUVJXGZSA-N 1 0 318.483 1.738 10 0 DDAERO O=S(=O)(c1cccs1)N1CCC(C[NH2+]C2CC2)CC1 ZINC000111719019 185630717 /nfs/dbraw/zinc/63/07/17/185630717.db2.gz GOYYUPFCUGSAKI-UHFFFAOYSA-N 1 0 300.449 1.901 10 0 DDAERO Cc1n[nH]cc1S(=O)(=O)N1CCCC[C@H]1C[NH2+]C(C)C ZINC000111720599 185631407 /nfs/dbraw/zinc/63/14/07/185631407.db2.gz NOUDMPQSBVMGPA-LBPRGKRZSA-N 1 0 300.428 1.259 10 0 DDAERO CC(C)CC(=O)N[C@@H](C(=O)NCC1(C)CC[NH2+]CC1)C(C)C ZINC000183318307 199573767 /nfs/dbraw/zinc/57/37/67/199573767.db2.gz IISKJYIPJMSLKX-OAHLLOKOSA-N 1 0 311.470 1.679 10 0 DDAERO CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](F)C[C@H]2C(N)=O)cc1 ZINC000286907059 219220252 /nfs/dbraw/zinc/22/02/52/219220252.db2.gz PLDBEVHIUGMYLN-CABCVRRESA-N 1 0 321.396 1.566 10 0 DDAERO C[C@@H]1CC[C@H](n2nnc(C[NH3+])c2I)C1 ZINC000675051955 539562485 /nfs/dbraw/zinc/56/24/85/539562485.db2.gz YIWROCSWZXMWSX-RQJHMYQMSA-N 1 0 306.151 1.703 10 0 DDAERO COCC1CCN(S(=O)(=O)Cc2cccc(C[NH3+])c2)CC1 ZINC000070081518 190857368 /nfs/dbraw/zinc/85/73/68/190857368.db2.gz SPYXUTLQYVILAQ-UHFFFAOYSA-N 1 0 312.435 1.334 10 0 DDAERO C[C@@H]1CCC[C@H](C[NH3+])N1S(=O)(=O)c1cc(F)cc(F)c1 ZINC000070153859 190863582 /nfs/dbraw/zinc/86/35/82/190863582.db2.gz BXQJPVAECNWIJJ-BXKDBHETSA-N 1 0 304.362 1.855 10 0 DDAERO COCC[NH2+]Cc1c(C)nn(C)c1N1C[C@@H](C)S[C@H](C)C1 ZINC000070384683 190883221 /nfs/dbraw/zinc/88/32/21/190883221.db2.gz DHLISGYZIAVIBJ-VXGBXAGGSA-N 1 0 312.483 1.795 10 0 DDAERO [NH3+][C@H]1CCC2(C[C@@H]1[S@](=O)c1ccc(F)c(F)c1)OCCO2 ZINC000084032509 192396674 /nfs/dbraw/zinc/39/66/74/192396674.db2.gz XSFBANYFZHIYHV-BYVOGVQKSA-N 1 0 317.357 1.695 10 0 DDAERO C[C@H]([NH3+])CCCC[S@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084055471 192398275 /nfs/dbraw/zinc/39/82/75/192398275.db2.gz DVQAJYVLOWSECY-BBATYDOGSA-N 1 0 303.449 1.715 10 0 DDAERO COc1ccc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)cc1F ZINC000170873591 197843703 /nfs/dbraw/zinc/84/37/03/197843703.db2.gz ATXLGGNDHUXUFQ-JTQLQIEISA-N 1 0 302.371 1.159 10 0 DDAERO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2noc3c2CCCC3)CC1 ZINC000072144208 191051814 /nfs/dbraw/zinc/05/18/14/191051814.db2.gz PXXVJRPLPWAHOR-KRWDZBQOSA-N 1 0 321.421 1.472 10 0 DDAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(C(N)=S)cc2)[C@@H](C)C1 ZINC000155786705 186112890 /nfs/dbraw/zinc/11/28/90/186112890.db2.gz PHDZTYYCIROKLL-FZMZJTMJSA-N 1 0 305.447 1.779 10 0 DDAERO CC[C@H](Oc1ccccc1F)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000175695172 186188673 /nfs/dbraw/zinc/18/86/73/186188673.db2.gz MQTNFELPPPCXGB-ZFWWWQNUSA-N 1 0 324.396 1.772 10 0 DDAERO C[C@@H](CC(=O)NCC[S@@](=O)C(C)(C)C)C1CC[NH2+]CC1 ZINC000237443416 186289819 /nfs/dbraw/zinc/28/98/19/186289819.db2.gz 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DOKIDIVXMBQLND-CJNGLKHVSA-N 1 0 306.454 1.955 10 0 DDAERO O=C(c1ncccc1Br)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000194891286 201306596 /nfs/dbraw/zinc/30/65/96/201306596.db2.gz OBICVORUTRJRAG-JTQLQIEISA-N 1 0 310.195 1.764 10 0 DDAERO C[C@@H](NC(=O)[C@@](C)([NH3+])c1ccccc1)C(=O)N1CCCCC1 ZINC000195524315 201397909 /nfs/dbraw/zinc/39/79/09/201397909.db2.gz LOBGGQJTPLBBGC-DYVFJYSZSA-N 1 0 303.406 1.378 10 0 DDAERO C[C@@H](CN1CCOCC1)[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090904113 192943165 /nfs/dbraw/zinc/94/31/65/192943165.db2.gz YBAWNGVEEACIJK-SWLSCSKDSA-N 1 0 310.825 1.954 10 0 DDAERO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)C1 ZINC000246213823 202572940 /nfs/dbraw/zinc/57/29/40/202572940.db2.gz FZVAUQVNJDAXRH-QKCSRTOESA-N 1 0 316.323 1.680 10 0 DDAERO C[C@@H](C(=O)Nc1ccc(N)cc1Cl)[N@H+](C)CC1CC(O)C1 ZINC000091450849 193057336 /nfs/dbraw/zinc/05/73/36/193057336.db2.gz KLAOPMBLRQWOEY-BMQDGWLCSA-N 1 0 311.813 1.952 10 0 DDAERO O=S1(=O)CC[C@@H](n2ncc(C[NH2+]C3CC3)c2C(F)(F)F)C1 ZINC000091336123 193042273 /nfs/dbraw/zinc/04/22/73/193042273.db2.gz QVTIUOZTKCAFTN-SNVBAGLBSA-N 1 0 323.340 1.514 10 0 DDAERO CCc1nn(C)c(C[C@H](N)C(C)(C)[NH+](C)C)c1Br ZINC000091528401 193069896 /nfs/dbraw/zinc/06/98/96/193069896.db2.gz DELKMFAWWSKHJC-NSHDSACASA-N 1 0 317.275 1.955 10 0 DDAERO Cc1nn(C)c(C[C@@H](O)C[NH2+]CC(C)C)c1Br ZINC000091468030 193060155 /nfs/dbraw/zinc/06/01/55/193060155.db2.gz WEZRGTWBCHVJDH-SNVBAGLBSA-N 1 0 304.232 1.640 10 0 DDAERO CCCn1cc(S(=O)(=O)N[C@H]2CCC[NH2+][C@@H]2C)nc1C ZINC000091496965 193064416 /nfs/dbraw/zinc/06/44/16/193064416.db2.gz PXHVYBYPTFNCGU-PWSUYJOCSA-N 1 0 300.428 1.020 10 0 DDAERO C[NH+]1CCC(NS(=O)(=O)c2c[nH]c3cc(N)ccc32)CC1 ZINC000091499688 193065020 /nfs/dbraw/zinc/06/50/20/193065020.db2.gz OKLMOYHJWYZPAX-UHFFFAOYSA-N 1 0 308.407 1.123 10 0 DDAERO CS(=O)(=O)CCC[C@@H]([NH3+])C1(N2CCCCC2)CCCC1 ZINC000091641998 193082796 /nfs/dbraw/zinc/08/27/96/193082796.db2.gz SUKNXALJYISQAX-CQSZACIVSA-N 1 0 302.484 1.937 10 0 DDAERO CCC1CCC(C[NH3+])([C@]2(O)CCC[C@@H]2S(C)(=O)=O)CC1 ZINC000091922188 193126426 /nfs/dbraw/zinc/12/64/26/193126426.db2.gz TXEHQPJIVSCXSV-SHWKFHJASA-N 1 0 303.468 1.860 10 0 DDAERO COC(=O)CC[NH2+]Cc1cnc2cnc(Br)cn12 ZINC000092049205 193148638 /nfs/dbraw/zinc/14/86/38/193148638.db2.gz SSZJGUKXKYIOLB-UHFFFAOYSA-N 1 0 313.155 1.145 10 0 DDAERO COCCN(C1CC1)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115926 193163807 /nfs/dbraw/zinc/16/38/07/193163807.db2.gz NXYUFPARJWZUTP-UHFFFAOYSA-N 1 0 302.371 1.084 10 0 DDAERO C[NH+](C)C[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1CSc2ccccc21 ZINC000092238971 193178274 /nfs/dbraw/zinc/17/82/74/193178274.db2.gz VIHLCUGMSQZEFJ-SGMGOOAPSA-N 1 0 306.431 1.399 10 0 DDAERO O=C(C[C@H]1COCC[NH2+]1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000262245721 203239974 /nfs/dbraw/zinc/23/99/74/203239974.db2.gz SAZSCLFWRMWUMI-FUHWJXTLSA-N 1 0 318.417 1.337 10 0 DDAERO CC[C@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)CCS1 ZINC000262275924 203247603 /nfs/dbraw/zinc/24/76/03/203247603.db2.gz NKMQSBJXIMODGZ-MJBXVCDLSA-N 1 0 308.451 1.077 10 0 DDAERO C[C@@H](C[NH3+])C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000262319372 203259756 /nfs/dbraw/zinc/25/97/56/203259756.db2.gz COLCTHKPAYNWFV-IUCAKERBSA-N 1 0 302.371 1.001 10 0 DDAERO O=C(Nc1ccc(OC2CCCC2)c(F)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262438887 203293844 /nfs/dbraw/zinc/29/38/44/203293844.db2.gz SPWCVIKGPQXTGA-RISCZKNCSA-N 1 0 308.353 1.808 10 0 DDAERO O=C(Nc1cccc(N2CCCCCC2)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262530533 203321044 /nfs/dbraw/zinc/32/10/44/203321044.db2.gz PMIKOPHOFDPYBT-HOTGVXAUSA-N 1 0 303.406 1.728 10 0 DDAERO O=C(C[C@H]1COCC[NH2+]1)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000262557105 203329120 /nfs/dbraw/zinc/32/91/20/203329120.db2.gz PSUBKCRZHWDSQQ-QWHCGFSZSA-N 1 0 316.323 1.655 10 0 DDAERO CC[NH2+]CCn1cc(S(=O)(=O)N(CC)C[C@H](C)CC)cn1 ZINC000093265880 193222306 /nfs/dbraw/zinc/22/23/06/193222306.db2.gz BHYFLBXQXFBKKC-CYBMUJFWSA-N 1 0 316.471 1.549 10 0 DDAERO CCC(CC)N(CC(C)C)S(=O)(=O)N(C)CCC[NH2+]C ZINC000093326633 193232955 /nfs/dbraw/zinc/23/29/55/193232955.db2.gz VJCVTEVMRKITLK-UHFFFAOYSA-N 1 0 307.504 1.919 10 0 DDAERO NC1=[NH+]CC2(CCS(=O)(=O)CC2)N1c1ccc(Cl)cc1 ZINC000093390417 193243532 /nfs/dbraw/zinc/24/35/32/193243532.db2.gz SMICENDUASOXKA-UHFFFAOYSA-N 1 0 313.810 1.422 10 0 DDAERO CC(C)[C@H]1C[NH2+][C@H](C2CC2)CN1CC(C)(C)S(C)(=O)=O ZINC000093525856 193264069 /nfs/dbraw/zinc/26/40/69/193264069.db2.gz FPSGHHRCLKGHAF-UONOGXRCSA-N 1 0 302.484 1.518 10 0 DDAERO CCC[C@](C)([NH3+])C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)OC ZINC000262719386 203392065 /nfs/dbraw/zinc/39/20/65/203392065.db2.gz YAAHOUZXOMDYDZ-GUYCJALGSA-N 1 0 322.405 1.358 10 0 DDAERO CC[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCSc1ncc(C)cn1 ZINC000093630157 193276114 /nfs/dbraw/zinc/27/61/14/193276114.db2.gz BNDGGVCBINUNOF-DOMZBBRYSA-N 1 0 308.451 1.901 10 0 DDAERO CC[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCSc1nncs1 ZINC000093629336 193276411 /nfs/dbraw/zinc/27/64/11/193276411.db2.gz RBQYGEXBRDYKGL-BXKDBHETSA-N 1 0 300.453 1.654 10 0 DDAERO Cc1nnc(SCC[C@@H]2CCC[C@@]2([NH2+]C2CC2)C(N)=O)o1 ZINC000093630206 193276565 /nfs/dbraw/zinc/27/65/65/193276565.db2.gz LDCUKJWZCRGERU-HZMBPMFUSA-N 1 0 310.423 1.636 10 0 DDAERO C[NH2+][C@H](C)[C@H]1CCCCN1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093695738 193290298 /nfs/dbraw/zinc/29/02/98/193290298.db2.gz LXPLZIGBGRNJOJ-QLFBSQMISA-N 1 0 317.499 1.120 10 0 DDAERO CC(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697349 193292731 /nfs/dbraw/zinc/29/27/31/193292731.db2.gz GYOPUIXREKIZTA-GJZGRUSLSA-N 1 0 316.467 1.492 10 0 DDAERO CC[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccn(C)n1 ZINC000093700532 193293945 /nfs/dbraw/zinc/29/39/45/193293945.db2.gz OKJXRMJOHSGMHL-GXTWGEPZSA-N 1 0 314.455 1.132 10 0 DDAERO Cc1nn([C@@H]2CCC[C@]([NH3+])(C(N)=O)C2)c(C)c1Br ZINC000093759770 193301188 /nfs/dbraw/zinc/30/11/88/193301188.db2.gz RJDAUYXLFGPGBM-BXKDBHETSA-N 1 0 315.215 1.560 10 0 DDAERO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1c(C)cc(N)cc1C ZINC000093648690 193283286 /nfs/dbraw/zinc/28/32/86/193283286.db2.gz XNUUFOOHQLSDCJ-ZDUSSCGKSA-N 1 0 313.467 1.894 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c(C)cc(N)cc2C)C1 ZINC000093648537 193283658 /nfs/dbraw/zinc/28/36/58/193283658.db2.gz RNOCVGDDPAZBPY-CQSZACIVSA-N 1 0 311.451 1.648 10 0 DDAERO CCC[NH2+][C@H](C)[C@@H]1CCCN(S(=O)(=O)CCOC(C)C)C1 ZINC000093664588 193286026 /nfs/dbraw/zinc/28/60/26/193286026.db2.gz LYSLERJWMFGPFP-HUUCEWRRSA-N 1 0 320.499 1.841 10 0 DDAERO CCC[NH2+][C@@H]1[C@H](S(=O)(=O)CC(=O)OCC)CCCC1(C)C ZINC000094281783 193355854 /nfs/dbraw/zinc/35/58/54/193355854.db2.gz HWTGSDJKGPVZSU-TZMCWYRMSA-N 1 0 319.467 1.911 10 0 DDAERO CC[NH2+][C@@H]1[C@H](N2CCN(S(C)(=O)=O)CC2)CCCC1(C)C ZINC000094275423 193356168 /nfs/dbraw/zinc/35/61/68/193356168.db2.gz MXXMWPOUNUPKKP-ZIAGYGMSSA-N 1 0 317.499 1.120 10 0 DDAERO CC[C@H]([NH3+])Cc1cc(F)c(N(C)CCS(C)(=O)=O)c(F)c1 ZINC000094301356 193358644 /nfs/dbraw/zinc/35/86/44/193358644.db2.gz LBKNPPATDZFKEY-NSHDSACASA-N 1 0 320.405 1.725 10 0 DDAERO C[NH+](C)C(C)(C)CNc1nc(C(F)(F)F)ccc1C(N)=O ZINC000094335191 193359995 /nfs/dbraw/zinc/35/99/95/193359995.db2.gz AQCLVJFWZSVBGY-UHFFFAOYSA-N 1 0 304.316 1.951 10 0 DDAERO NC(=O)c1ccc(C(F)(F)F)nc1OC[C@H]1CCC[NH2+]C1 ZINC000094337697 193361353 /nfs/dbraw/zinc/36/13/53/193361353.db2.gz YRTPMBGBKYQNFP-QMMMGPOBSA-N 1 0 303.284 1.578 10 0 DDAERO C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C(N)=O)CC[C@@H]1[NH3+] ZINC000094342690 193362473 /nfs/dbraw/zinc/36/24/73/193362473.db2.gz QWQGCJSLWRLFAK-APPZFPTMSA-N 1 0 302.300 1.373 10 0 DDAERO CN(C)S(=O)(=O)c1ccccc1N(C)CC1CC[NH2+]CC1 ZINC000094043050 193341037 /nfs/dbraw/zinc/34/10/37/193341037.db2.gz MWUWKFYEGHATLF-UHFFFAOYSA-N 1 0 311.451 1.373 10 0 DDAERO CC[C@@](C)([NH3+])C(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000094233591 193352736 /nfs/dbraw/zinc/35/27/36/193352736.db2.gz OYKLCSHNQYKTNA-GFCCVEGCSA-N 1 0 306.334 1.749 10 0 DDAERO CC[C@@](C)([NH3+])C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000094236816 193353479 /nfs/dbraw/zinc/35/34/79/193353479.db2.gz NTOWVKPEACFDHV-CQSZACIVSA-N 1 0 311.407 1.193 10 0 DDAERO CC(C)C[NH2+]Cc1cn([C@H]2CCC[C@@H](S(C)(=O)=O)C2)nn1 ZINC000094645182 193389995 /nfs/dbraw/zinc/38/99/95/193389995.db2.gz XVQSKLOWRHTNPH-UONOGXRCSA-N 1 0 314.455 1.552 10 0 DDAERO CC(C)[NH2+]C[C@@H](Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000094688050 193391392 /nfs/dbraw/zinc/39/13/92/193391392.db2.gz WPEZUHXMIZFGDK-LSDHHAIUSA-N 1 0 311.447 1.984 10 0 DDAERO CCC[NH2+][C@@H]1[C@H](CN2CCS(=O)CC2)C(C)(C)OC1(C)C ZINC000094428388 193368296 /nfs/dbraw/zinc/36/82/96/193368296.db2.gz OCPRTTVMGORKPI-UONOGXRCSA-N 1 0 316.511 1.623 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccnc(Cl)c1 ZINC000094459470 193370643 /nfs/dbraw/zinc/37/06/43/193370643.db2.gz JNRNPAZTPVKJLY-WDEREUQCSA-N 1 0 315.826 1.592 10 0 DDAERO C[C@@H]1SCCC[C@H]1[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000094477789 193372585 /nfs/dbraw/zinc/37/25/85/193372585.db2.gz RVARTYAANGIJCU-GXFFZTMASA-N 1 0 300.449 1.708 10 0 DDAERO C[C@@H]1SCCC[C@@]1(C[NH3+])N1CCN(c2ccccn2)CC1 ZINC000094478715 193372846 /nfs/dbraw/zinc/37/28/46/193372846.db2.gz QAMPGWZGOYHEBX-HOCLYGCPSA-N 1 0 306.479 1.817 10 0 DDAERO C(c1nc([C@@H]2CSCCS2)no1)[C@@H]1CSCC[NH2+]1 ZINC000094496010 193374041 /nfs/dbraw/zinc/37/40/41/193374041.db2.gz JQGMACYKSGAOQZ-BDAKNGLRSA-N 1 0 303.478 1.838 10 0 DDAERO C[NH2+][C@H](Cc1ncnn1CC(C)C)[C@H]1CSCCS1 ZINC000094499070 193374175 /nfs/dbraw/zinc/37/41/75/193374175.db2.gz DDPDCGDKPNQHBD-VXGBXAGGSA-N 1 0 300.497 1.913 10 0 DDAERO C[C@H]1C[C@@H]([NH3+])CN(c2nc(C(F)(F)F)ccc2C(N)=O)C1 ZINC000094553383 193379177 /nfs/dbraw/zinc/37/91/77/193379177.db2.gz OSISAAKOVSTQBC-JGVFFNPUSA-N 1 0 302.300 1.373 10 0 DDAERO C[C@H]1C[C@@H]([NH3+])CN(c2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000094553623 193379438 /nfs/dbraw/zinc/37/94/38/193379438.db2.gz VGHGKDAZJGDZDJ-NWDGAFQWSA-N 1 0 309.435 1.301 10 0 DDAERO [NH3+]C[C@@H]1CC[C@H](C(=O)Nc2ccc(Br)cn2)O1 ZINC000094564909 193380926 /nfs/dbraw/zinc/38/09/26/193380926.db2.gz ZLMDNBIFRHZHBM-DTWKUNHWSA-N 1 0 300.156 1.289 10 0 DDAERO C[C@@H]1C[C@H]([NH3+])CN(c2nc3ccc(Br)cn3n2)C1 ZINC000094609318 193384511 /nfs/dbraw/zinc/38/45/11/193384511.db2.gz JXQVCOUPJDWLNS-SCZZXKLOSA-N 1 0 310.199 1.665 10 0 DDAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1c1nc2c(Br)cccn2n1 ZINC000094609086 193384806 /nfs/dbraw/zinc/38/48/06/193384806.db2.gz USIYAEOHAZAHFG-OPRDCNLKSA-N 1 0 322.210 1.536 10 0 DDAERO C[NH2+][C@H](C)[C@@H]1CCCN([C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000094633989 193385090 /nfs/dbraw/zinc/38/50/90/193385090.db2.gz VGGNJTXCZIPEFH-TUVASFSCSA-N 1 0 302.484 1.662 10 0 DDAERO CC(C)C[NH2+]Cc1ccc(CN2CCS(=O)(=O)CC2)nc1 ZINC000094756900 193395637 /nfs/dbraw/zinc/39/56/37/193395637.db2.gz KSKRSTDZRLEYOO-UHFFFAOYSA-N 1 0 311.451 1.058 10 0 DDAERO CC(C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000012670969 181787142 /nfs/dbraw/zinc/78/71/42/181787142.db2.gz ULTISLNOASDNIN-GHMZBOCLSA-N 1 0 313.423 1.295 10 0 DDAERO CCN(CC)C(=O)C1(NC(=O)[C@H](C)C2C[NH2+]C2)CCCCC1 ZINC000262265455 284461598 /nfs/dbraw/zinc/46/15/98/284461598.db2.gz UYPSQSJCIASIDJ-CYBMUJFWSA-N 1 0 309.454 1.529 10 0 DDAERO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(C)c(C)cc2N)C1 ZINC000040501850 183083702 /nfs/dbraw/zinc/08/37/02/183083702.db2.gz LXZAXIVAWDAUIY-ZDUSSCGKSA-N 1 0 311.451 1.648 10 0 DDAERO CCn1cc([C@H]2OCC[C@@H]2NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cn1 ZINC000333681968 249069011 /nfs/dbraw/zinc/06/90/11/249069011.db2.gz ZTUUCVJCWMYHBP-CYUUQNCZSA-N 1 0 321.425 1.030 10 0 DDAERO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ncc(Br)s2)C1 ZINC000040633754 183111598 /nfs/dbraw/zinc/11/15/98/183111598.db2.gz YPDOSLOAKUEVKO-NTSWFWBYSA-N 1 0 306.185 1.221 10 0 DDAERO CC(C)(C)[C@@H](NS(=O)(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000040860912 183143834 /nfs/dbraw/zinc/14/38/34/183143834.db2.gz IFEGCSLDIYMXTE-AWEZNQCLSA-N 1 0 311.451 1.513 10 0 DDAERO CCC(CC)[C@H](CNS(=O)(=O)c1ccc(=O)[nH]c1)[NH+](C)C ZINC000040809514 183136911 /nfs/dbraw/zinc/13/69/11/183136911.db2.gz XCEPNEWVQRQDHM-ZDUSSCGKSA-N 1 0 315.439 1.020 10 0 DDAERO CC[C@@H]([NH3+])c1cccc(S(=O)(=O)N[C@H]2CCCN(C)C2)c1 ZINC000040716251 183122441 /nfs/dbraw/zinc/12/24/41/183122441.db2.gz AFBFREPNKIKWDT-DZGCQCFKSA-N 1 0 311.451 1.469 10 0 DDAERO CN(C)S(=O)(=O)c1ccc(N[C@@H]2CCC[N@H+](C)C2)c(N)c1 ZINC000040715751 183122598 /nfs/dbraw/zinc/12/25/98/183122598.db2.gz QVBULABYVVADGM-LLVKDONJSA-N 1 0 312.439 1.025 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)NCCc2ccc(O)cc2)cc1 ZINC000040736820 183126941 /nfs/dbraw/zinc/12/69/41/183126941.db2.gz DRUIJWNBAOPGRO-UHFFFAOYSA-N 1 0 306.387 1.372 10 0 DDAERO CC1(C)CC(Nc2ncnc(-n3ccnc3)c2N)CC(C)(C)[NH2+]1 ZINC000040760966 183130597 /nfs/dbraw/zinc/13/05/97/183130597.db2.gz JKVMIGKDYPBMLB-UHFFFAOYSA-N 1 0 315.425 1.966 10 0 DDAERO Cc1c(N)cccc1S(=O)(=O)NCC[NH+]1CCCCCC1 ZINC000040767223 183131128 /nfs/dbraw/zinc/13/11/28/183131128.db2.gz FUBZLUKAJRVWPX-UHFFFAOYSA-N 1 0 311.451 1.732 10 0 DDAERO COC(=O)c1c2c(sc1NC(=O)[C@@H]1CCOC1)C[NH2+]CC2 ZINC000040930181 183148932 /nfs/dbraw/zinc/14/89/32/183148932.db2.gz ABIAMAOTPZAFOR-MRVPVSSYSA-N 1 0 310.375 1.155 10 0 DDAERO C[C@@H](NS(=O)(=O)N1CC[NH2+]CC1)c1ccccc1Cl ZINC000040862013 183144201 /nfs/dbraw/zinc/14/42/01/183144201.db2.gz VSCVQEPJJJVLLO-SNVBAGLBSA-N 1 0 303.815 1.141 10 0 DDAERO CCCO[C@@H]1CCC[N@H+](CCC(=O)N(C)CCC(N)=S)C1 ZINC000042422413 183267465 /nfs/dbraw/zinc/26/74/65/183267465.db2.gz WZATUZOMQONQJF-CYBMUJFWSA-N 1 0 315.483 1.402 10 0 DDAERO CC(C)C[C@H](C[NH2+]C1CCS(=O)CC1)N1CCOCC1 ZINC000042336087 183256065 /nfs/dbraw/zinc/25/60/65/183256065.db2.gz UUZZHRYWAIULSG-RDYUPDBUSA-N 1 0 302.484 1.234 10 0 DDAERO CC[C@H](C)N(CCOC)S(=O)(=O)CCC1CC[NH2+]CC1 ZINC000042592595 183288753 /nfs/dbraw/zinc/28/87/53/183288753.db2.gz NLMHZSAXRVAEKT-ZDUSSCGKSA-N 1 0 306.472 1.453 10 0 DDAERO C[NH2+]Cc1c(N2CCCN(C(C)=O)CC2)nc2sccn12 ZINC000042681049 183296217 /nfs/dbraw/zinc/29/62/17/183296217.db2.gz NOOWPDIDXIUNEI-UHFFFAOYSA-N 1 0 307.423 1.174 10 0 DDAERO [NH3+]Cc1ccccc1S(=O)(=O)N(CC(F)(F)F)C1CC1 ZINC000042768537 183306644 /nfs/dbraw/zinc/30/66/44/183306644.db2.gz LQTKZFVVWPVSRB-UHFFFAOYSA-N 1 0 308.325 1.861 10 0 DDAERO CC[C@H]([NH3+])[C@@H](c1ccccc1C)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043035761 183331764 /nfs/dbraw/zinc/33/17/64/183331764.db2.gz OMRVLERSDCEYOG-VNQPRFMTSA-N 1 0 310.463 1.892 10 0 DDAERO COC[C@@H](O)CN(C)[C@@H](C[NH3+])c1ccccc1Br ZINC000043093332 183336924 /nfs/dbraw/zinc/33/69/24/183336924.db2.gz QYZVJHYFTPMHTH-GWCFXTLKSA-N 1 0 317.227 1.388 10 0 DDAERO COc1ccccc1[C@H](Sc1nc(N)cc(N)n1)[C@H](C)[NH3+] ZINC000043101980 183338228 /nfs/dbraw/zinc/33/82/28/183338228.db2.gz DJYBRBUVOKRXMF-ISVAXAHUSA-N 1 0 305.407 1.830 10 0 DDAERO [NH3+][C@H](c1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000043299906 183351120 /nfs/dbraw/zinc/35/11/20/183351120.db2.gz CWTKJTWPWOOMHT-KCJUWKMLSA-N 1 0 304.209 1.884 10 0 DDAERO CCNC(=O)CN(C)[C@@H](C[NH3+])c1ccccc1Br ZINC000043092994 183336215 /nfs/dbraw/zinc/33/62/15/183336215.db2.gz QJXOJIXSGRYYNP-LBPRGKRZSA-N 1 0 314.227 1.517 10 0 DDAERO C[NH2+]Cc1ccc(OCC(=O)NCCCOC)c(Cl)c1 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1.360 10 0 DDAERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(Cc3ccccn3)CC2)C1 ZINC000105915170 194167818 /nfs/dbraw/zinc/16/78/18/194167818.db2.gz ZKAHDAHUZHFSRM-SFHVURJKSA-N 1 0 318.465 1.308 10 0 DDAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](C[C@H](O)COC(C)(C)C)C2)n1 ZINC000105919840 194171037 /nfs/dbraw/zinc/17/10/37/194171037.db2.gz IAURYIDHGVZTQW-HOTGVXAUSA-N 1 0 324.469 1.783 10 0 DDAERO Cc1ccc(NC(=O)[C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)c(F)c1 ZINC000105932988 194173620 /nfs/dbraw/zinc/17/36/20/194173620.db2.gz RXDOKHIHWQJAAN-QWHCGFSZSA-N 1 0 309.385 1.381 10 0 DDAERO COCC[N@@H+]1CCN(Cc2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC000106108240 194185792 /nfs/dbraw/zinc/18/57/92/194185792.db2.gz RCAXNNSALCUTKR-AWEZNQCLSA-N 1 0 306.406 1.626 10 0 DDAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2(C)C)cc1 ZINC000048946309 183698239 /nfs/dbraw/zinc/69/82/39/183698239.db2.gz VSHUYLNJXSEWSN-GFCCVEGCSA-N 1 0 312.435 1.767 10 0 DDAERO CCN(C1(C[NH3+])CCCC1)S(=O)(=O)N1CCCC[C@@H]1C ZINC000050093170 183772667 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320.412 1.800 10 0 DDAERO CNC(=O)[C@]12CCO[C@H]1CC[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000247957580 257113572 /nfs/dbraw/zinc/11/35/72/257113572.db2.gz PERKUIGQRULTKL-RDJZCZTQSA-N 1 0 318.373 1.142 10 0 DDAERO O=C1NC[C@@H](COc2cccnc2)[C@@]12CC[N@@H+](C1CCC1)C2 ZINC000247941874 257114596 /nfs/dbraw/zinc/11/45/96/257114596.db2.gz PWTRGNJCPHAWFG-GUYCJALGSA-N 1 0 301.390 1.451 10 0 DDAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@H]1CSCN1 ZINC000521396570 257240092 /nfs/dbraw/zinc/24/00/92/257240092.db2.gz VPTKJXJYMDIPGI-NWANDNLSSA-N 1 0 320.462 1.071 10 0 DDAERO C[C@@H]1CCCN(c2ccc(S(N)(=O)=O)cc2F)[C@@H]1C[NH3+] ZINC000071391272 134422378 /nfs/dbraw/zinc/42/23/78/134422378.db2.gz GBDVXNGGDCKSIU-NOZJJQNGSA-N 1 0 301.387 1.037 10 0 DDAERO CCO[C@H](C)C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114413815 407569102 /nfs/dbraw/zinc/56/91/02/407569102.db2.gz VQHARQGCZOTCSI-CQSZACIVSA-N 1 0 320.437 1.217 10 0 DDAERO C[NH+](C)Cc1ccc(N2CCN(C(=O)C3CCCC3)CC2)nc1 ZINC000114415884 407569924 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C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1CCCN1C(=O)C1CCCC1 ZINC000261639763 297397537 /nfs/dbraw/zinc/39/75/37/297397537.db2.gz DORYRKFDQICLQW-NFAWXSAZSA-N 1 0 307.438 1.363 10 0 DDAERO C[C@H]1CN(c2ncc(I)cn2)[C@@H](C)C[NH2+]1 ZINC000164372934 298211717 /nfs/dbraw/zinc/21/17/17/298211717.db2.gz QZYIHKLCQJYCMD-YUMQZZPRSA-N 1 0 318.162 1.268 10 0 DDAERO CC1CC(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000530762580 303210735 /nfs/dbraw/zinc/21/07/35/303210735.db2.gz JVJRAJKJIDXLPV-JFUPDXTOSA-N 1 0 302.418 1.786 10 0 DDAERO C[C@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000396398225 483994103 /nfs/dbraw/zinc/99/41/03/483994103.db2.gz WQQDLJITQDVCKO-MAUKXSAKSA-N 1 0 301.434 1.861 10 0 DDAERO O=C(N1CCN2CCCC[C@@H]2C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000113389744 484030722 /nfs/dbraw/zinc/03/07/22/484030722.db2.gz HGELXBSKOXPFHW-YPMHNXCESA-N 1 0 305.344 1.225 10 0 DDAERO CCC[C@H]([NH3+])C(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000178887933 484110611 /nfs/dbraw/zinc/11/06/11/484110611.db2.gz DPJBLYMKWVUGNW-HNNXBMFYSA-N 1 0 321.469 1.410 10 0 DDAERO CC(C)COc1ccc(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000232599282 484173412 /nfs/dbraw/zinc/17/34/12/484173412.db2.gz AWKBVAMMWHESKK-WFASDCNBSA-N 1 0 312.435 1.689 10 0 DDAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000248875233 484236658 /nfs/dbraw/zinc/23/66/58/484236658.db2.gz QMASNXZYLLQBPP-OBJOEFQTSA-N 1 0 304.394 1.453 10 0 DDAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC(CN2CCCCC2=O)CC1 ZINC000261672644 484254322 /nfs/dbraw/zinc/25/43/22/484254322.db2.gz GDMWOYQFNNWUIV-HZPDHXFCSA-N 1 0 321.465 1.613 10 0 DDAERO CC(C)c1nn(C)c2sc(C(=O)NC[C@@H]3C[NH2+]C[C@H]3O)cc12 ZINC000262075347 484261628 /nfs/dbraw/zinc/26/16/28/484261628.db2.gz BZIVVOBGTZBSQZ-GXSJLCMTSA-N 1 0 322.434 1.068 10 0 DDAERO Cc1c2cc(F)ccc2sc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262260207 484266795 /nfs/dbraw/zinc/26/67/95/484266795.db2.gz MEOTUNNENUCURX-SKDRFNHKSA-N 1 0 308.378 1.659 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cccc(Oc2ccccc2)c1 ZINC000262277503 484267414 /nfs/dbraw/zinc/26/74/14/484267414.db2.gz NMSYYHVCXVDQPG-YOEHRIQHSA-N 1 0 312.369 1.789 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(Oc2cccnc2)cc1 ZINC000262318926 484269037 /nfs/dbraw/zinc/26/90/37/484269037.db2.gz RCTIAHXJBHZXIS-CJNGLKHVSA-N 1 0 313.357 1.184 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000262350201 484269291 /nfs/dbraw/zinc/26/92/91/484269291.db2.gz UKCQUCQPCZQZGX-GWCFXTLKSA-N 1 0 320.780 1.040 10 0 DDAERO CCc1ccc(-c2ccc(C(=O)NC[C@@H]3C[NH2+]C[C@H]3O)o2)cc1 ZINC000262395778 484271102 /nfs/dbraw/zinc/27/11/02/484271102.db2.gz YFRMOENIJYNZPH-LSDHHAIUSA-N 1 0 314.385 1.819 10 0 DDAERO CC[C@H]1CN(c2ncnc(Cl)c2NC)CC[N@@H+]1C[C@H](C)O ZINC000302226265 529302936 /nfs/dbraw/zinc/30/29/36/529302936.db2.gz SPBNHQHWSNXAIO-QWRGUYRKSA-N 1 0 313.833 1.453 10 0 DDAERO COC(=O)N[C@@H](C(=O)NC[C@H](CC(C)C)[NH+](C)C)C(C)C ZINC000108462846 696634060 /nfs/dbraw/zinc/63/40/60/696634060.db2.gz UCIGUNJRIJGRBB-QWHCGFSZSA-N 1 0 301.431 1.460 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@](C)(O)c2ccccc2)C1 ZINC000114590752 696662111 /nfs/dbraw/zinc/66/21/11/696662111.db2.gz QQJYOGNVRVGNCN-WBVHZDCISA-N 1 0 305.422 1.678 10 0 DDAERO CCCCOC(=O)[C@@H](C)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000119170278 696678044 /nfs/dbraw/zinc/67/80/44/696678044.db2.gz QIULIEMHAQWZBV-HUUCEWRRSA-N 1 0 300.443 1.761 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000172539040 697369014 /nfs/dbraw/zinc/36/90/14/697369014.db2.gz LEJMADXLIYPXSH-GFCCVEGCSA-N 1 0 313.442 1.842 10 0 DDAERO C[NH+](C)C[C@@H]1CN(Cn2nc(C3CC3)sc2=S)CCO1 ZINC000173897271 697381865 /nfs/dbraw/zinc/38/18/65/697381865.db2.gz BNVMYVODRCSUBT-LLVKDONJSA-N 1 0 314.480 1.771 10 0 DDAERO CC[C@@H]([NH2+]CC(=O)N1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000181555093 697462326 /nfs/dbraw/zinc/46/23/26/697462326.db2.gz GIBUWYQUXIIAEP-IUODEOHRSA-N 1 0 321.377 1.883 10 0 DDAERO COCC1=CC[N@H+](Cn2cnc3c2ncnc3NC(C)C)CC1 ZINC000185032251 697513000 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COc1ccc(CCC(=O)N[C@@H]2C[NH+]3CCC2CC3)cc1OC ZINC000222557839 697757661 /nfs/dbraw/zinc/75/76/61/697757661.db2.gz YUFSLFNJKLCVSS-OAHLLOKOSA-N 1 0 318.417 1.847 10 0 DDAERO Cc1c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)nn2c1OCC2 ZINC000223832199 697762529 /nfs/dbraw/zinc/76/25/29/697762529.db2.gz GENZFNHPCYXFLS-UHFFFAOYSA-N 1 0 306.410 1.623 10 0 DDAERO C[NH+](C)C[C@H]1CN(CN2C(=O)C[C@@H]2c2ccccc2)CCO1 ZINC000247160516 698362529 /nfs/dbraw/zinc/36/25/29/698362529.db2.gz SSCIBLDYNXNOKH-JKSUJKDBSA-N 1 0 303.406 1.180 10 0 DDAERO CCOCC[N@@H+]1CCN(C[C@H]2CC3(CCC3)C(=O)O2)C[C@H]1C ZINC000248901858 698384012 /nfs/dbraw/zinc/38/40/12/698384012.db2.gz VRSMCHSEMTXUIE-HUUCEWRRSA-N 1 0 310.438 1.515 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](O)c2ccccc2F)C1 ZINC000249749582 698397076 /nfs/dbraw/zinc/39/70/76/698397076.db2.gz BPNDMFWFDYFBSN-IUODEOHRSA-N 1 0 309.385 1.643 10 0 DDAERO COCCC[N@H+](C)CCNS(=O)(=O)/C=C\c1ccccc1 ZINC000254976151 698409716 /nfs/dbraw/zinc/40/97/16/698409716.db2.gz WGWILCQDKWQCEZ-ZROIWOOFSA-N 1 0 312.435 1.545 10 0 DDAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000261678013 698432700 /nfs/dbraw/zinc/43/27/00/698432700.db2.gz HJJNFZPVMHTFRK-VIFPVBQESA-N 1 0 308.350 1.217 10 0 DDAERO [NH3+][C@@H]1CC[C@H]2CN(c3ncnc4c3cnn4-c3ccccc3)C[C@@H]12 ZINC000261798536 698438245 /nfs/dbraw/zinc/43/82/45/698438245.db2.gz ZTGCIXZTVDJGOO-APHBMKBZSA-N 1 0 320.400 1.989 10 0 DDAERO CC(C)Oc1ccc([C@@H](O)CNC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261861944 698441820 /nfs/dbraw/zinc/44/18/20/698441820.db2.gz NFZLSVVDRCEFMS-HNNXBMFYSA-N 1 0 322.405 1.131 10 0 DDAERO CCOC(=O)C[C@H](NC(=O)[C@H]([NH3+])COC)c1ccccc1C ZINC000262220406 698459720 /nfs/dbraw/zinc/45/97/20/698459720.db2.gz FRPCNLRYWGFEDW-KGLIPLIRSA-N 1 0 308.378 1.079 10 0 DDAERO Cc1cnccc1CNC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263462645 698508149 /nfs/dbraw/zinc/50/81/49/698508149.db2.gz CCMIDLJICCLPEP-UHFFFAOYSA-N 1 0 303.406 1.807 10 0 DDAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cc(Br)cnc1F ZINC000700845595 699223235 /nfs/dbraw/zinc/22/32/35/699223235.db2.gz NRCUMWHLADUOAO-OIBJUYFYSA-N 1 0 316.174 1.840 10 0 DDAERO C[C@@H]1CN(C(=O)c2cc(Br)cnc2F)C[C@@H]1[NH3+] ZINC000700871374 699224088 /nfs/dbraw/zinc/22/40/88/699224088.db2.gz MRWSWSFGJGYFQN-MUWHJKNJSA-N 1 0 302.147 1.402 10 0 DDAERO COC[C@H](C)C[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702833750 699233588 /nfs/dbraw/zinc/23/35/88/699233588.db2.gz ADIFBAFZTDXTNB-FRRDWIJNSA-N 1 0 302.415 1.086 10 0 DDAERO C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000705673595 699241915 /nfs/dbraw/zinc/24/19/15/699241915.db2.gz RDHBSYCXUZFBDY-YIYPIFLZSA-N 1 0 314.426 1.229 10 0 DDAERO CC(C)(C)OC(=O)N1CCC([NH2+][C@@H]2COCC[C@H]2O)CC1 ZINC000710883437 699255398 /nfs/dbraw/zinc/25/53/98/699255398.db2.gz GGFLOPZKEQFSBZ-CHWSQXEVSA-N 1 0 300.399 1.125 10 0 DDAERO CN1CCC[C@@H]([NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)C1=O ZINC000711438685 699257792 /nfs/dbraw/zinc/25/77/92/699257792.db2.gz MGTPDOYOKQNPFN-WXRRBKDZSA-N 1 0 311.426 1.500 10 0 DDAERO Cn1ccc(CC[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)n1 ZINC000711457222 699258139 /nfs/dbraw/zinc/25/81/39/699258139.db2.gz CMZUKXIEGXFNMS-UHFFFAOYSA-N 1 0 308.426 1.856 10 0 DDAERO [NH3+]C1CC(CNS(=O)(=O)/C=C\c2ccc(Cl)cc2)C1 ZINC000715114090 699274210 /nfs/dbraw/zinc/27/42/10/699274210.db2.gz PMSGTDOHWZRLMB-WAYWQWQTSA-N 1 0 300.811 1.967 10 0 DDAERO O[C@@H](COCc1ccccc1)C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000718986907 699296681 /nfs/dbraw/zinc/29/66/81/699296681.db2.gz FXMPQTCTFDNQHC-HZPDHXFCSA-N 1 0 307.390 1.259 10 0 DDAERO CO[C@]1(C[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)CCS(=O)(=O)C1 ZINC000721255732 699312009 /nfs/dbraw/zinc/31/20/09/699312009.db2.gz OTMUASYUWFEUOW-NFAWXSAZSA-N 1 0 303.468 1.995 10 0 DDAERO CC(C)n1cncc1C[N@@H+]1CCC[C@@](O)(Cc2nncn2C)C1 ZINC000886088623 708696037 /nfs/dbraw/zinc/69/60/37/708696037.db2.gz KYXGZMGYEOEIFZ-MRXNPFEDSA-N 1 0 318.425 1.162 10 0 DDAERO Cc1noc(C[C@@]2(O)CCC[N@H+](Cc3cccc(C)n3)C2)n1 ZINC000886091682 708696309 /nfs/dbraw/zinc/69/63/09/708696309.db2.gz IVPAITGAWUOBQA-INIZCTEOSA-N 1 0 302.378 1.651 10 0 DDAERO CCOCCCCNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000248430608 282082474 /nfs/dbraw/zinc/08/24/74/282082474.db2.gz BBSDMNNXAOBRMD-GJZGRUSLSA-N 1 0 315.458 1.290 10 0 DDAERO CC[C@H](CSC)NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000248504908 282087991 /nfs/dbraw/zinc/08/79/91/282087991.db2.gz VSMGPVNJWYHIPH-MCIONIFRSA-N 1 0 317.499 1.615 10 0 DDAERO Cc1cc2ccccc2n(CC(=O)NCCC[NH+](C)C)c1=O ZINC000074646514 185005612 /nfs/dbraw/zinc/00/56/12/185005612.db2.gz AAAURUKWWXPQQV-UHFFFAOYSA-N 1 0 301.390 1.378 10 0 DDAERO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000083749690 282098274 /nfs/dbraw/zinc/09/82/74/282098274.db2.gz NWVMDWDZKSPGHY-KGLIPLIRSA-N 1 0 318.425 1.301 10 0 DDAERO CCCn1c(=O)[nH]nc1S[C@H]1Cc2ccccc2[C@@H]1[NH2+]C ZINC000081879106 192332582 /nfs/dbraw/zinc/33/25/82/192332582.db2.gz LXZVIHGXRQNKLN-STQMWFEESA-N 1 0 304.419 1.959 10 0 DDAERO C[NH2+][C@@H](CSc1n[nH]c(=O)n1C)c1cc(C)ccc1OC ZINC000081880720 192334343 /nfs/dbraw/zinc/33/43/43/192334343.db2.gz ITEAZMXSWCCSPB-NSHDSACASA-N 1 0 308.407 1.478 10 0 DDAERO COc1ccc([C@H](C)[NH2+][C@@H](C)CS(C)(=O)=O)cc1OC ZINC000081900774 192334892 /nfs/dbraw/zinc/33/48/92/192334892.db2.gz INWWBBDIGZIALZ-QWRGUYRKSA-N 1 0 301.408 1.788 10 0 DDAERO COCc1cc([C@H](C)[NH2+][C@@H](C)CS(C)(=O)=O)ccc1OC ZINC000081901885 192336860 /nfs/dbraw/zinc/33/68/60/192336860.db2.gz UTBASCZFGRKORN-RYUDHWBXSA-N 1 0 315.435 1.925 10 0 DDAERO CN(CC[N@H+](C)CCO)Cc1ccc(F)c(Br)c1 ZINC000623091569 365653725 /nfs/dbraw/zinc/65/37/25/365653725.db2.gz INPGKJSIKNTFHS-UHFFFAOYSA-N 1 0 319.218 1.944 10 0 DDAERO CSc1cc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)ccc1F ZINC000163046324 197609244 /nfs/dbraw/zinc/60/92/44/197609244.db2.gz BLHCOLRBTHLVLH-GFCCVEGCSA-N 1 0 312.410 1.950 10 0 DDAERO Cc1ccc(NC(=O)CC[C@@H](C)CC[NH3+])cc1S(N)(=O)=O ZINC000079119344 185159318 /nfs/dbraw/zinc/15/93/18/185159318.db2.gz DPPWFGGXRTZEEY-SNVBAGLBSA-N 1 0 313.423 1.346 10 0 DDAERO Cc1n[nH]cc1CCCNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000079136931 185159989 /nfs/dbraw/zinc/15/99/89/185159989.db2.gz MNNFDTCONVCBAI-OAHLLOKOSA-N 1 0 309.458 1.926 10 0 DDAERO CC[NH2+][C@](C)(CSc1ncccc1Br)C(N)=O ZINC000079446984 185171890 /nfs/dbraw/zinc/17/18/90/185171890.db2.gz BUQAYRFTBORHLC-LLVKDONJSA-N 1 0 318.240 1.790 10 0 DDAERO C[NH2+][C@@H]1CCOC[C@H]1S(=O)(=O)c1ccc2ccccc2c1 ZINC000081945609 192345831 /nfs/dbraw/zinc/34/58/31/192345831.db2.gz PYENQCLEEDIDCY-HZPDHXFCSA-N 1 0 305.399 1.990 10 0 DDAERO C[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)S(=O)(=O)CCOC ZINC000081944929 192346072 /nfs/dbraw/zinc/34/60/72/192346072.db2.gz OMZBAUSXXXAAKM-RISCZKNCSA-N 1 0 301.408 1.405 10 0 DDAERO C[C@H]1CC[N@H+](C[C@H](O)COCc2ccccc2)[C@@H](C(N)=O)C1 ZINC000249569069 282174879 /nfs/dbraw/zinc/17/48/79/282174879.db2.gz NUNDMVJOSZYMRJ-CWRNSKLLSA-N 1 0 306.406 1.150 10 0 DDAERO CC[C@@H](C[NH3+])NC(=O)c1cc(OC)ccc1Br ZINC000087385614 185223291 /nfs/dbraw/zinc/22/32/91/185223291.db2.gz PASFWXQNJBJZKR-QMMMGPOBSA-N 1 0 301.184 1.925 10 0 DDAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(Br)cc1 ZINC000087404170 185223795 /nfs/dbraw/zinc/22/37/95/185223795.db2.gz HIQBKEUAPPRSHL-JTQLQIEISA-N 1 0 321.240 1.855 10 0 DDAERO CCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(OCC)c(C)c1 ZINC000087403930 185223797 /nfs/dbraw/zinc/22/37/97/185223797.db2.gz HIUVKXWUFSPPAY-GFCCVEGCSA-N 1 0 300.424 1.799 10 0 DDAERO Cc1cc(F)c(C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1F ZINC000135880186 539194853 /nfs/dbraw/zinc/19/48/53/539194853.db2.gz MIKAWPVNBWTTMX-NWDGAFQWSA-N 1 0 312.360 1.800 10 0 DDAERO C[C@@H](C[NH3+])c1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)c[nH]1 ZINC000087536480 185228186 /nfs/dbraw/zinc/22/81/86/185228186.db2.gz YNCALXYCMRALHU-JTQLQIEISA-N 1 0 308.407 1.389 10 0 DDAERO [NH3+][C@@H](c1sccc1Br)[C@H]1CN2CCN1CC2 ZINC000087570648 185228490 /nfs/dbraw/zinc/22/84/90/185228490.db2.gz AMHDPQZLIRNVRF-NXEZZACHSA-N 1 0 302.241 1.510 10 0 DDAERO C[NH2+]CCS(=O)(=O)NCc1sccc1Br ZINC000087576121 185228634 /nfs/dbraw/zinc/22/86/34/185228634.db2.gz SZLAFQWXQJHMIJ-UHFFFAOYSA-N 1 0 313.242 1.149 10 0 DDAERO Cc1nnc(S[C@H]2CS(=O)(=O)c3ccccc32)n1CC[NH3+] ZINC000087711326 185231057 /nfs/dbraw/zinc/23/10/57/185231057.db2.gz JZEXUKHETRZGST-NSHDSACASA-N 1 0 324.431 1.166 10 0 DDAERO Cc1ccc(Br)cc1C(=O)NC[C@@H]([NH3+])[C@H](C)O ZINC000087744274 185231203 /nfs/dbraw/zinc/23/12/03/185231203.db2.gz MBQJNYPCKSOWLR-GZMMTYOYSA-N 1 0 301.184 1.195 10 0 DDAERO COC(=O)CCS(=O)(=O)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000081974646 192347602 /nfs/dbraw/zinc/34/76/02/192347602.db2.gz OVNQEVQDUSZELZ-SDDRHHMPSA-N 1 0 305.440 1.506 10 0 DDAERO C[C@@H]([NH3+])CS(=O)(=O)Cc1ccc(F)c(Br)c1 ZINC000088070750 185238880 /nfs/dbraw/zinc/23/88/80/185238880.db2.gz LEMIIKBEHVXQNJ-SSDOTTSWSA-N 1 0 310.188 1.850 10 0 DDAERO [NH3+][C@H](Cc1cc(Br)ccc1F)[C@@H]1COCCO1 ZINC000087857340 185233724 /nfs/dbraw/zinc/23/37/24/185233724.db2.gz QYBLINTVXXMIAR-NEPJUHHUSA-N 1 0 304.159 1.873 10 0 DDAERO CCC[NH2+][C@H]1CCCc2c1cnn2[C@@]1(C)CCS(=O)(=O)C1 ZINC000087862187 185233762 /nfs/dbraw/zinc/23/37/62/185233762.db2.gz ITMIWBJNPPSIRK-ZFWWWQNUSA-N 1 0 311.451 1.794 10 0 DDAERO NNc1nc(-n2nnc3ccccc32)c(Br)c[nH+]1 ZINC000087866909 185233782 /nfs/dbraw/zinc/23/37/82/185233782.db2.gz OMQQLJSLGYKYLD-UHFFFAOYSA-N 1 0 306.127 1.259 10 0 DDAERO CC[C@H]1CN(c2nc(NN)[nH+]cc2Br)CCN1C ZINC000087877252 185234041 /nfs/dbraw/zinc/23/40/41/185234041.db2.gz GTFYUJSRRNZFRP-QMMMGPOBSA-N 1 0 315.219 1.055 10 0 DDAERO CO[C@H]1CCC[C@H]1Nc1nc(NN)[nH+]cc1Br ZINC000087868918 185234191 /nfs/dbraw/zinc/23/41/91/185234191.db2.gz GOQDIBRESMEZHI-SFYZADRCSA-N 1 0 302.176 1.504 10 0 DDAERO CCC[NH2+][C@H](CS(=O)(=O)CC(=O)OC)c1ccc(C)cc1 ZINC000081976206 192347976 /nfs/dbraw/zinc/34/79/76/192347976.db2.gz LWDYGMHDLWLCFY-CQSZACIVSA-N 1 0 313.419 1.624 10 0 DDAERO C[C@@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1cccs1 ZINC000182543897 539239836 /nfs/dbraw/zinc/23/98/36/539239836.db2.gz SSEREMSAWJRTCY-SNVBAGLBSA-N 1 0 314.436 1.111 10 0 DDAERO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2nncs2)cc1OC ZINC000180875304 539236498 /nfs/dbraw/zinc/23/64/98/539236498.db2.gz MAWJBFQZJUZQRY-VIFPVBQESA-N 1 0 322.390 1.845 10 0 DDAERO O=S(=O)(Cc1ccc(Br)cc1)CC1C[NH2+]C1 ZINC000088091028 185239657 /nfs/dbraw/zinc/23/96/57/185239657.db2.gz FZKCCVRKINFYCV-UHFFFAOYSA-N 1 0 304.209 1.583 10 0 DDAERO C[NH+](C)C[C@@H](NC(=O)NCCCn1ccnn1)c1ccccc1 ZINC000184758075 539244893 /nfs/dbraw/zinc/24/48/93/539244893.db2.gz UACHKKILSWEQPF-OAHLLOKOSA-N 1 0 316.409 1.270 10 0 DDAERO C[NH2+][C@H](c1ccccc1)[C@@H](C(C)C)S(=O)(=O)CC(=O)OC ZINC000081976107 192348384 /nfs/dbraw/zinc/34/83/84/192348384.db2.gz LCSCNPZXHKOANF-HUUCEWRRSA-N 1 0 313.419 1.560 10 0 DDAERO CCOc1ccc(OC[C@@H](O)C[NH2+][C@@H](C(=O)NC)C(C)C)cc1 ZINC000183661493 539242480 /nfs/dbraw/zinc/24/24/80/539242480.db2.gz XCVCVBZINLREAC-XJKSGUPXSA-N 1 0 324.421 1.185 10 0 DDAERO CCOc1ccc(NS(=O)(=O)[C@H](C)C[NH3+])cc1OCC ZINC000088472135 185252419 /nfs/dbraw/zinc/25/24/19/185252419.db2.gz BBPKCXNHWFEXAR-SNVBAGLBSA-N 1 0 302.396 1.573 10 0 DDAERO CC[NH2+][C@@](CN1CCC(C(F)(F)F)CC1)(C(N)=O)C1CC1 ZINC000088435560 185250450 /nfs/dbraw/zinc/25/04/50/185250450.db2.gz XCJKNSJGVQAKCW-CYBMUJFWSA-N 1 0 307.360 1.504 10 0 DDAERO CC[C@]1(C(=O)Nc2cnc(Br)cn2)CCC[NH2+]C1 ZINC000088446351 185251157 /nfs/dbraw/zinc/25/11/57/185251157.db2.gz DSGFZYMNBTWZHW-LBPRGKRZSA-N 1 0 313.199 1.957 10 0 DDAERO Cc1nn(C)c2sc(C(=O)NC3CC[NH+](C)CC3)c(N)c12 ZINC000088640353 185260876 /nfs/dbraw/zinc/26/08/76/185260876.db2.gz CAFNUKKZQUXXNQ-UHFFFAOYSA-N 1 0 307.423 1.349 10 0 DDAERO COCC[NH2+]Cc1cccc2ccn(CCS(C)(=O)=O)c21 ZINC000088732230 185263768 /nfs/dbraw/zinc/26/37/68/185263768.db2.gz UVXMUJULJYZZDT-UHFFFAOYSA-N 1 0 310.419 1.422 10 0 DDAERO C[C@H]([NH2+][C@H]1CC(=O)N(C)C1=O)c1ccc(Br)s1 ZINC000088774668 185265485 /nfs/dbraw/zinc/26/54/85/185265485.db2.gz OYRZMHLUBBZPKL-BQBZGAKWSA-N 1 0 317.208 1.919 10 0 DDAERO CC(C)(C)[NH2+]CCc1nnc([C@@H]2CCS(=O)(=O)C2)s1 ZINC000088823828 185266550 /nfs/dbraw/zinc/26/65/50/185266550.db2.gz QCUNKPSMHXKOEM-SECBINFHSA-N 1 0 303.453 1.371 10 0 DDAERO CCOCCC[N@@H+]1CC[C@@H](NCc2nnc(C)n2CC)[C@H](C)C1 ZINC000253295702 282214446 /nfs/dbraw/zinc/21/44/46/282214446.db2.gz HEGARLXHEBYOQS-GDBMZVCRSA-N 1 0 323.485 1.833 10 0 DDAERO CC[NH2+][C@H](CC)CS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000081990612 192350549 /nfs/dbraw/zinc/35/05/49/192350549.db2.gz XPPFXDYHHLVBBD-LLVKDONJSA-N 1 0 319.448 1.252 10 0 DDAERO [NH3+][C@@H](CS(=O)(=O)C1CCCC1)c1ccc2c(c1)OCCO2 ZINC000081988796 192350798 /nfs/dbraw/zinc/35/07/98/192350798.db2.gz HIUCGUQLPLIBKD-ZDUSSCGKSA-N 1 0 311.403 1.815 10 0 DDAERO CCn1cncc1[C@@H](C[NH3+])N1CCN(c2nccs2)CC1 ZINC000090174294 185285071 /nfs/dbraw/zinc/28/50/71/185285071.db2.gz BWVOURHEOMTVNS-GFCCVEGCSA-N 1 0 306.439 1.182 10 0 DDAERO CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1S(=O)(=O)CCC(=O)OC ZINC000082009563 192353014 /nfs/dbraw/zinc/35/30/14/192353014.db2.gz CQNOYCYXBCNDTI-UPJWGTAASA-N 1 0 305.440 1.521 10 0 DDAERO CC[C@H]([C@H]([NH2+]C)c1ccccc1)S(=O)(=O)CCC(=O)OC ZINC000082004532 192353317 /nfs/dbraw/zinc/35/33/17/192353317.db2.gz RRTDETTUWUCCJZ-UKRRQHHQSA-N 1 0 313.419 1.704 10 0 DDAERO OC[C@H](O)C[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000090282422 185289268 /nfs/dbraw/zinc/28/92/68/185289268.db2.gz NZSNTKNJZONIDW-CHWSQXEVSA-N 1 0 300.196 1.249 10 0 DDAERO Cc1cc(Cl)c(CN2CCN(C3C[NH2+]C3)CC2)c(Cl)n1 ZINC000090307405 185290326 /nfs/dbraw/zinc/29/03/26/185290326.db2.gz JTMQUPHBVQCXTO-UHFFFAOYSA-N 1 0 315.248 1.786 10 0 DDAERO Brc1ccc(CN2CCN(C3C[NH2+]C3)CC2)s1 ZINC000090306774 185290343 /nfs/dbraw/zinc/29/03/43/185290343.db2.gz WUXRDRXBXKLFQI-UHFFFAOYSA-N 1 0 316.268 1.600 10 0 DDAERO COc1ccc([C@H](C)NS(=O)(=O)CC[NH2+]C(C)C)cc1 ZINC000090310733 185290596 /nfs/dbraw/zinc/29/05/96/185290596.db2.gz MFLZYVLDURFFDI-LBPRGKRZSA-N 1 0 300.424 1.674 10 0 DDAERO O=C(c1c(F)c(F)c(F)c(F)c1F)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090321290 185290839 /nfs/dbraw/zinc/29/08/39/185290839.db2.gz KYLJLJBDDBLZMQ-OLQVQODUSA-N 1 0 306.234 1.674 10 0 DDAERO O=S(=O)(c1ccc(C(F)(F)F)cc1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090322020 185290943 /nfs/dbraw/zinc/29/09/43/185290943.db2.gz MTPXFOZVLGRWIS-NXEZZACHSA-N 1 0 320.336 1.545 10 0 DDAERO CC(C)NS(=O)(=O)c1ccccc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090322669 185291152 /nfs/dbraw/zinc/29/11/52/185291152.db2.gz POCNHUASSNPFLQ-CHWSQXEVSA-N 1 0 309.435 1.029 10 0 DDAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1c1ccccc1S(=O)(=O)NC ZINC000090334225 185291552 /nfs/dbraw/zinc/29/15/52/185291552.db2.gz YUDBWJTUACNOGU-FRRDWIJNSA-N 1 0 309.435 1.029 10 0 DDAERO CC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000090489353 185298928 /nfs/dbraw/zinc/29/89/28/185298928.db2.gz SPKMHPCKNGNTQU-PWSUYJOCSA-N 1 0 311.769 1.002 10 0 DDAERO [NH3+][C@H]1COC[C@@H]1C(=O)Nc1cc(Cl)ccc1-n1cccn1 ZINC000090381441 185293480 /nfs/dbraw/zinc/29/34/80/185293480.db2.gz ZNDCUIJTENHDAL-QWRGUYRKSA-N 1 0 306.753 1.438 10 0 DDAERO [NH3+][C@H]1COC[C@@H]1C(=O)NCCc1ccc(Cl)cc1Cl ZINC000090378997 185293681 /nfs/dbraw/zinc/29/36/81/185293681.db2.gz YUWMMWNBRHEBSA-JQWIXIFHSA-N 1 0 303.189 1.626 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)NCc1ccccc1Br ZINC000090436751 185296399 /nfs/dbraw/zinc/29/63/99/185296399.db2.gz NMQVXDRHSPBEKS-CMPLNLGQSA-N 1 0 313.195 1.300 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)N(C)Cc1nc2ccccc2s1 ZINC000090434711 185296418 /nfs/dbraw/zinc/29/64/18/185296418.db2.gz LYSNZTQGZCCNPL-ZYHUDNBSSA-N 1 0 305.403 1.489 10 0 DDAERO COC(=O)c1ccc(Cl)c(NC(=O)[C@]2(C)COC[C@H]2[NH3+])c1 ZINC000090587428 185305058 /nfs/dbraw/zinc/30/50/58/185305058.db2.gz IZZRSAWNRNLZFW-BXUZGUMPSA-N 1 0 312.753 1.429 10 0 DDAERO C[C@@]1(C(=O)Nc2cc3c(cc2Cl)OCCO3)COC[C@@H]1[NH3+] ZINC000090585536 185305197 /nfs/dbraw/zinc/30/51/97/185305197.db2.gz ZNWMTPMDPVBIKG-GXTWGEPZSA-N 1 0 312.753 1.414 10 0 DDAERO C[C@@]1(C(=O)NCc2ccccc2Br)COC[C@H]1[NH3+] ZINC000090600064 185305752 /nfs/dbraw/zinc/30/57/52/185305752.db2.gz CZQDVNVEOYLLTE-DGCLKSJQSA-N 1 0 313.195 1.429 10 0 DDAERO Cn1c2ccc(Br)cc2nc1[C@@]1(C)COC[C@H]1[NH3+] ZINC000090571758 185304306 /nfs/dbraw/zinc/30/43/06/185304306.db2.gz UKHDXSCNZNSWPC-YPMHNXCESA-N 1 0 310.195 1.951 10 0 DDAERO CCCS(=O)(=O)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000090700997 185310356 /nfs/dbraw/zinc/31/03/56/185310356.db2.gz GUAYWCPDNYLMSI-CYBMUJFWSA-N 1 0 306.497 1.630 10 0 DDAERO C[NH2+]C[C@H](C)Cc1c(C)nn([C@]2(C)CCS(=O)(=O)C2)c1C ZINC000092321831 185312204 /nfs/dbraw/zinc/31/22/04/185312204.db2.gz YJZVHHRPPLXCDJ-IAQYHMDHSA-N 1 0 313.467 1.432 10 0 DDAERO CC(C)[C@H](CO)[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000092395296 185315908 /nfs/dbraw/zinc/31/59/08/185315908.db2.gz JHNGXNOQODZOKR-HIFRSBDPSA-N 1 0 301.814 1.824 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(C)c(N)c1 ZINC000092622782 185329827 /nfs/dbraw/zinc/32/98/27/185329827.db2.gz BPQBRDDUPOCBAM-ZDUSSCGKSA-N 1 0 311.451 1.682 10 0 DDAERO [NH3+]C1CCN(CC(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000092713941 185335853 /nfs/dbraw/zinc/33/58/53/185335853.db2.gz SCLBUEHYLZZQBH-RYUDHWBXSA-N 1 0 307.360 1.647 10 0 DDAERO CN(CC[NH+]1CCCC1)c1cc2c(cc1Cl)[C@@H](O)C(=O)N2 ZINC000092771493 185339466 /nfs/dbraw/zinc/33/94/66/185339466.db2.gz KREHKDBDRORSKL-CQSZACIVSA-N 1 0 309.797 1.858 10 0 DDAERO CCC[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cn(CC)cn2)C1 ZINC000092910937 185348489 /nfs/dbraw/zinc/34/84/89/185348489.db2.gz LRFGARUIGQSFRH-CYBMUJFWSA-N 1 0 314.455 1.303 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(C(=O)/C=C\c2ccnc(Cl)c2)CC1 ZINC000255893556 282284244 /nfs/dbraw/zinc/28/42/44/282284244.db2.gz HCAMNXNMVCVZPM-NQHOJNORSA-N 1 0 323.824 1.663 10 0 DDAERO Brc1ccc(-n2cncc2[C@@H]2C[NH2+]CCO2)nc1 ZINC000097014078 185397228 /nfs/dbraw/zinc/39/72/28/185397228.db2.gz YMKCOQVHSANZQI-NSHDSACASA-N 1 0 309.167 1.691 10 0 DDAERO CCC[NH2+][C@H](C)C1CCN(S(=O)(=O)C[C@H]2CCCO2)CC1 ZINC000111714792 185629959 /nfs/dbraw/zinc/62/99/59/185629959.db2.gz UPEPPAVMVCJGBK-UKRRQHHQSA-N 1 0 318.483 1.595 10 0 DDAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1ccnc(Cl)c1 ZINC000181859526 199363158 /nfs/dbraw/zinc/36/31/58/199363158.db2.gz BZUDXWSRWQYPJM-LBPRGKRZSA-N 1 0 312.801 1.703 10 0 DDAERO O=C(c1cn[nH]c1[C@@H]1CCCC[NH2+]1)N1CCc2nccnc2C1 ZINC000685941640 539565418 /nfs/dbraw/zinc/56/54/18/539565418.db2.gz FKDBVDADJXPKBC-ZDUSSCGKSA-N 1 0 312.377 1.213 10 0 DDAERO Cn1cnc([C@@H]2CN(C(=O)Cc3ccc4c(c3)CCC4)C[C@H]2[NH3+])c1 ZINC000685942679 539566463 /nfs/dbraw/zinc/56/64/63/539566463.db2.gz LSMLGEMXMGTFFQ-IAGOWNOFSA-N 1 0 324.428 1.405 10 0 DDAERO COCCOC[C@@H]([NH3+])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000725255151 539569478 /nfs/dbraw/zinc/56/94/78/539569478.db2.gz ARQXMVYFPHKOHI-CYBMUJFWSA-N 1 0 302.415 1.624 10 0 DDAERO O=C(Nc1ccnn1C1C[NH2+]C1)c1coc(Br)c1 ZINC000725258217 539570168 /nfs/dbraw/zinc/57/01/68/539570168.db2.gz LDFUJHLADQQKDR-UHFFFAOYSA-N 1 0 311.139 1.635 10 0 DDAERO CS(=O)(=O)c1ccccc1NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000070253456 190875082 /nfs/dbraw/zinc/87/50/82/190875082.db2.gz CCKWYBZNCOHSGR-NSHDSACASA-N 1 0 308.403 1.418 10 0 DDAERO CCc1nc(S(=O)(=O)N[C@@H](C)CCC[NH+](CC)CC)c[nH]1 ZINC000070419155 190888339 /nfs/dbraw/zinc/88/83/39/190888339.db2.gz OOEPTMVXRPXWDX-LBPRGKRZSA-N 1 0 316.471 1.761 10 0 DDAERO CN(C[C@@H]1CCCO1)S(=O)(=O)c1cccc(F)c1C[NH3+] ZINC000070394626 190884748 /nfs/dbraw/zinc/88/47/48/190884748.db2.gz VSXZKCOXVSMKMH-JTQLQIEISA-N 1 0 302.371 1.084 10 0 DDAERO Cn1cnnc1CC[NH2+]Cc1sccc1Br ZINC000070960417 190926189 /nfs/dbraw/zinc/92/61/89/190926189.db2.gz HXCJUONOIJPAKN-UHFFFAOYSA-N 1 0 301.213 1.971 10 0 DDAERO CN(Cc1csc(Br)c1)C[C@H]1COCC[NH2+]1 ZINC000083874660 192387594 /nfs/dbraw/zinc/38/75/94/192387594.db2.gz KBYBPSJGNWBVJR-JTQLQIEISA-N 1 0 305.241 1.931 10 0 DDAERO C[NH2+][C@H](C[S@@](=O)CCOC)c1ccc2c(c1)OCCCO2 ZINC000084035369 192396536 /nfs/dbraw/zinc/39/65/36/192396536.db2.gz GVFXTDGZOKBFTR-LRTDBIEQSA-N 1 0 313.419 1.504 10 0 DDAERO CC[NH2+][C@@H](C[S@@](=O)CCOC)c1cc(OC)ccc1OC ZINC000084035801 192396955 /nfs/dbraw/zinc/39/69/55/192396955.db2.gz DSMFIHBNOUSVDU-LHSJRXKWSA-N 1 0 315.435 1.750 10 0 DDAERO C[NH2+][C@H](C)CCC[S@@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084055447 192397634 /nfs/dbraw/zinc/39/76/34/192397634.db2.gz DJEHNOZLLGZGKR-ZMZPIMSZSA-N 1 0 303.449 1.586 10 0 DDAERO COc1cc2c(c(OC)c1)[C@@H](C[NH3+])N(C1CCC(O)CC1)C2 ZINC000071683933 191008569 /nfs/dbraw/zinc/00/85/69/191008569.db2.gz LQAJHTFXNIQQGZ-SSDMNJCBSA-N 1 0 306.406 1.823 10 0 DDAERO O=S(=O)(NC[C@@H]1CC[NH2+]C1)c1ccccc1Br ZINC000133723869 186009994 /nfs/dbraw/zinc/00/99/94/186009994.db2.gz OSMWJFOOTAPYNQ-SECBINFHSA-N 1 0 319.224 1.337 10 0 DDAERO Cc1cc(C)n(C[C@H](C)Nc2nc(C)nc3c2CC[NH2+]C3)n1 ZINC000072148760 191054004 /nfs/dbraw/zinc/05/40/04/191054004.db2.gz JQPFEFQOIJGIBA-NSHDSACASA-N 1 0 300.410 1.745 10 0 DDAERO CCc1cc(N2CCC3(CC2)c2ccccc2[C@@H]([NH3+])[C@@H]3O)ncn1 ZINC000072164393 191064124 /nfs/dbraw/zinc/06/41/24/191064124.db2.gz ZQCITVSPTRGLJP-MSOLQXFVSA-N 1 0 324.428 1.952 10 0 DDAERO CC[N@H+](CC(=O)N1CCN(Cc2cnc(C)s2)CC1)C1CC1 ZINC000152438761 186073425 /nfs/dbraw/zinc/07/34/25/186073425.db2.gz PMFXYHRBBJGGRL-UHFFFAOYSA-N 1 0 322.478 1.580 10 0 DDAERO COc1cccc(CCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000171900358 198003720 /nfs/dbraw/zinc/00/37/20/198003720.db2.gz MIVBLROPGOGKHY-HNNXBMFYSA-N 1 0 303.406 1.727 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccc(Cl)cc2)CCO1 ZINC000172046708 198030607 /nfs/dbraw/zinc/03/06/07/198030607.db2.gz MUMMJIPTOKDJJV-CQSZACIVSA-N 1 0 311.813 1.812 10 0 DDAERO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)NCc1ccccc1F ZINC000172802817 198151053 /nfs/dbraw/zinc/15/10/53/198151053.db2.gz NFDWUHNZADQRAX-OAHLLOKOSA-N 1 0 305.397 1.612 10 0 DDAERO COc1cccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000173235781 198199062 /nfs/dbraw/zinc/19/90/62/198199062.db2.gz FZHUJCIPOTUOQM-QWHCGFSZSA-N 1 0 307.394 1.614 10 0 DDAERO CC(C)OC(=O)CC[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000173672320 198239062 /nfs/dbraw/zinc/23/90/62/198239062.db2.gz WREKWDXVXLWKRG-UHFFFAOYSA-N 1 0 306.410 1.719 10 0 DDAERO C[C@@H](COCc1ccccc1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000173917648 198269967 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193376884 /nfs/dbraw/zinc/37/68/84/193376884.db2.gz GEKMOZMLSCLPCM-CVEARBPZSA-N 1 0 308.447 1.683 10 0 DDAERO C[C@@]1(CNS(=O)(=O)c2ccc(F)c(C[NH3+])c2)CCCO1 ZINC000094801031 193399115 /nfs/dbraw/zinc/39/91/15/193399115.db2.gz VCBOYJXPVMRTET-ZDUSSCGKSA-N 1 0 302.371 1.132 10 0 DDAERO C[C@]1([C@H]([NH3+])C[C@@H]2CCCN(S(C)(=O)=O)C2)CCCS1 ZINC000097309379 193706511 /nfs/dbraw/zinc/70/65/11/193706511.db2.gz KMAZTCUQBKDAOS-YNEHKIRRSA-N 1 0 306.497 1.661 10 0 DDAERO Cc1ccc(N2C[C@@H](C(=O)NCCC[NH+](C)C)CC2=O)c(C)c1 ZINC000015465390 182004083 /nfs/dbraw/zinc/00/40/83/182004083.db2.gz UEMVILTVSVAREE-HNNXBMFYSA-N 1 0 317.433 1.724 10 0 DDAERO [NH3+]CCCC(=O)Nc1ccccc1I ZINC000020480285 182222393 /nfs/dbraw/zinc/22/23/93/182222393.db2.gz PPNXWZCKJCRQRO-UHFFFAOYSA-N 1 0 304.131 1.969 10 0 DDAERO CCC[NH+]1CCN(CC(=O)Nc2cc(Cl)ccc2N)CC1 ZINC000020550886 182230092 /nfs/dbraw/zinc/23/00/92/182230092.db2.gz VJEASZMATIXWDJ-UHFFFAOYSA-N 1 0 310.829 1.888 10 0 DDAERO [NH3+]Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000021013943 182260731 /nfs/dbraw/zinc/26/07/31/182260731.db2.gz YTGVIKCEFROQCC-UHFFFAOYSA-N 1 0 306.343 1.675 10 0 DDAERO C[C@@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)C(C)(C)C[NH+](C)C ZINC000121154368 248274013 /nfs/dbraw/zinc/27/40/13/248274013.db2.gz HZJDORJPVYWSDN-HUUCEWRRSA-N 1 0 310.486 1.842 10 0 DDAERO COCc1cccc(C[NH2+]C[C@@H](O)COc2cnsn2)c1 ZINC000038010814 182961819 /nfs/dbraw/zinc/96/18/19/182961819.db2.gz UMFGHPXVEUVHQH-CYBMUJFWSA-N 1 0 309.391 1.214 10 0 DDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N[C@H]1CCO[C@@H]1c1cccnc1 ZINC000333811877 249113816 /nfs/dbraw/zinc/11/38/16/249113816.db2.gz JMAAFWJPWGYXPC-PMOUVXMZSA-N 1 0 304.394 1.351 10 0 DDAERO CC1(CNC(=O)N2CCC[C@@H]2Cn2ccnc2)CC[NH2+]CC1 ZINC000333771276 249100174 /nfs/dbraw/zinc/10/01/74/249100174.db2.gz CAXXJSVGPFCONF-CQSZACIVSA-N 1 0 305.426 1.447 10 0 DDAERO CC[NH+](CC)[C@@H](CNS(C)(=O)=O)c1ccc(OC)cc1 ZINC000040614937 183108650 /nfs/dbraw/zinc/10/86/50/183108650.db2.gz JKYFQJQOFTZQRA-AWEZNQCLSA-N 1 0 300.424 1.627 10 0 DDAERO CN(c1ncnc(NC2CCCC2)c1N)C1CC[NH+](C)CC1 ZINC000040800429 183135345 /nfs/dbraw/zinc/13/53/45/183135345.db2.gz VJMRUZRJQJZHOS-UHFFFAOYSA-N 1 0 304.442 1.944 10 0 DDAERO COC(=O)COC[C@H]([NH3+])c1cc(Br)ccc1OC ZINC000041072065 183163224 /nfs/dbraw/zinc/16/32/24/183163224.db2.gz QFWPZUQLNKZWSH-JTQLQIEISA-N 1 0 318.167 1.647 10 0 DDAERO CCn1cnc2sc(C(=O)NC3CC[NH2+]CC3)c(C)c2c1=O ZINC000041293607 183183305 /nfs/dbraw/zinc/18/33/05/183183305.db2.gz NEECFSOZLNPTDF-UHFFFAOYSA-N 1 0 320.418 1.268 10 0 DDAERO COCC(=O)N[C@H](c1ccncc1)c1ccc(C[NH+](C)C)cc1 ZINC000041565349 183203623 /nfs/dbraw/zinc/20/36/23/183203623.db2.gz XRCAMZOMIXLHGS-SFHVURJKSA-N 1 0 313.401 1.995 10 0 DDAERO CC(C)[N@H+](C)CCCCNS(=O)(=O)c1cnc(Cl)nc1 ZINC000041678829 183216106 /nfs/dbraw/zinc/21/61/06/183216106.db2.gz IWFWAHMAZFLNBE-UHFFFAOYSA-N 1 0 320.846 1.529 10 0 DDAERO [NH3+]CCCS(=O)(=O)NCc1ccc(Br)cc1 ZINC000042320972 183253932 /nfs/dbraw/zinc/25/39/32/183253932.db2.gz DLPZXDKFWAIYEW-UHFFFAOYSA-N 1 0 307.213 1.217 10 0 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1.989 10 0 DDAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1c(F)cccc1F ZINC000043264291 183349057 /nfs/dbraw/zinc/34/90/57/183349057.db2.gz YXBWVPAEOCFNMA-NSHDSACASA-N 1 0 313.348 1.933 10 0 DDAERO CN(C)C(=O)CN(C)[C@H](C[NH3+])c1cc(Br)cs1 ZINC000043285442 183350758 /nfs/dbraw/zinc/35/07/58/183350758.db2.gz LQAYNUDGBVEWGZ-SECBINFHSA-N 1 0 320.256 1.530 10 0 DDAERO C[C@H]([NH3+])[C@@H](c1ccccc1Br)N(C)CC(N)=O ZINC000043091451 183335688 /nfs/dbraw/zinc/33/56/88/183335688.db2.gz CFKDQLRVDGHTLR-UFBFGSQYSA-N 1 0 300.200 1.255 10 0 DDAERO CC[NH2+]Cc1ccc(O[C@@H](C)C(=O)NCCOC)c(Cl)c1 ZINC000043478706 183366050 /nfs/dbraw/zinc/36/60/50/183366050.db2.gz SYHFPZHIJAYXCZ-NSHDSACASA-N 1 0 314.813 1.979 10 0 DDAERO O=C(N[C@H](c1cccs1)c1ccccc1)[C@@H]1C[NH2+]CCO1 ZINC000043708921 183382643 /nfs/dbraw/zinc/38/26/43/183382643.db2.gz IVUNGSOURMBFJS-ZFWWWQNUSA-N 1 0 302.399 1.942 10 0 DDAERO C[NH+](C)C(C)(C)CNC(=O)COc1ccccc1C(N)=S ZINC000043412087 183360631 /nfs/dbraw/zinc/36/06/31/183360631.db2.gz UTFZDWIHDXCESQ-UHFFFAOYSA-N 1 0 309.435 1.156 10 0 DDAERO CCC[NH2+][C@@](C)(CCn1cc(Br)cn1)C(N)=O ZINC000045437539 183507979 /nfs/dbraw/zinc/50/79/79/183507979.db2.gz CFLGFSWJXSTVRN-NSHDSACASA-N 1 0 303.204 1.279 10 0 DDAERO CC[C@@H]1CN(Cc2cn3cccnc3n2)CC[N@@H+]1C[C@@H](C)O ZINC000105826652 194137717 /nfs/dbraw/zinc/13/77/17/194137717.db2.gz WYILGPHNSMLXSR-UKRRQHHQSA-N 1 0 303.410 1.006 10 0 DDAERO COCC[N@@H+]1CCN(Cc2cccc(NC(C)=O)c2)C[C@@H]1C ZINC000105834303 194141730 /nfs/dbraw/zinc/14/17/30/194141730.db2.gz QRYNPUHBXMQNEU-AWEZNQCLSA-N 1 0 305.422 1.798 10 0 DDAERO CC[C@H]1CN([C@@H](C)C(=O)NCCC(C)C)CC[N@@H+]1CCOC ZINC000105836730 194143267 /nfs/dbraw/zinc/14/32/67/194143267.db2.gz NEMIDDYSMVUDKM-HOTGVXAUSA-N 1 0 313.486 1.580 10 0 DDAERO Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)c1C ZINC000105871658 194151535 /nfs/dbraw/zinc/15/15/35/194151535.db2.gz YCRKLXFYUVMQKU-KGLIPLIRSA-N 1 0 313.405 1.827 10 0 DDAERO CN(C(=O)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1)c1ccccc1 ZINC000105883042 194155419 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NC(=S)C[NH+]1CCC(NC(=O)Nc2ccccc2F)CC1 ZINC000110826100 194361631 /nfs/dbraw/zinc/36/16/31/194361631.db2.gz JWCUXVBNQBEVGE-UHFFFAOYSA-N 1 0 310.398 1.698 10 0 DDAERO CCCN(CCC)S(=O)(=O)N(CCC)[C@H]1CCC[NH2+]C1 ZINC000110942514 194371827 /nfs/dbraw/zinc/37/18/27/194371827.db2.gz JSRPFFGASUTLKP-AWEZNQCLSA-N 1 0 305.488 1.817 10 0 DDAERO Cc1c(N)cc(S(=O)(=O)N(C)CC[NH+](C)C)cc1Cl ZINC000111130712 194393298 /nfs/dbraw/zinc/39/32/98/194393298.db2.gz FBKSYQFIYMBZKY-UHFFFAOYSA-N 1 0 305.831 1.413 10 0 DDAERO CCCN[C@@](C)(CCCC[N@H+](C)CCN(C)C)C(=O)OC ZINC000111145121 194394965 /nfs/dbraw/zinc/39/49/65/194394965.db2.gz PZIGZADMIYSUKS-INIZCTEOSA-N 1 0 301.475 1.581 10 0 DDAERO CCN(C(=O)OC(C)(C)C)[C@@H](C)CC(=O)N1CCC([NH3+])CC1 ZINC000058040889 184070335 /nfs/dbraw/zinc/07/03/35/184070335.db2.gz YJGGJECFJJZGNN-LBPRGKRZSA-N 1 0 313.442 1.972 10 0 DDAERO CC[NH2+][C@@H](C)CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000061270443 184167279 /nfs/dbraw/zinc/16/72/79/184167279.db2.gz DEBNKVCRFSCANG-JTQLQIEISA-N 1 0 313.423 1.277 10 0 DDAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000061290905 184167926 /nfs/dbraw/zinc/16/79/26/184167926.db2.gz DVDLODPRJFGJPD-UHFFFAOYSA-N 1 0 313.423 1.264 10 0 DDAERO Clc1nc(N[C@@H]2C[NH+]3CCC2CC3)nc(-n2cccn2)n1 ZINC000061536701 184172294 /nfs/dbraw/zinc/17/22/94/184172294.db2.gz JGCKCXSCVGTGSL-SNVBAGLBSA-N 1 0 305.773 1.217 10 0 DDAERO CN(c1nc(Cl)nc(-n2ccnc2)n1)C1CC[NH+](C)CC1 ZINC000061535178 184172686 /nfs/dbraw/zinc/17/26/86/184172686.db2.gz TYPJAZNLROWFMC-UHFFFAOYSA-N 1 0 307.789 1.241 10 0 DDAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C1CC1)c1ccncc1 ZINC000061594548 184176227 /nfs/dbraw/zinc/17/62/27/184176227.db2.gz GEEPTAVGLQEVHF-NWDGAFQWSA-N 1 0 305.407 1.872 10 0 DDAERO C[NH+](C)CCN1CCN(C(=O)c2cc(N)ccc2Cl)CC1 ZINC000061641962 184180285 /nfs/dbraw/zinc/18/02/85/184180285.db2.gz IWIPSFDAVBDRKD-UHFFFAOYSA-N 1 0 310.829 1.242 10 0 DDAERO C[N@H+](CCNS(=O)(=O)c1ccc(Cl)cc1N)C1CC1 ZINC000061992551 184200610 /nfs/dbraw/zinc/20/06/10/184200610.db2.gz 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/nfs/dbraw/zinc/25/13/50/184251350.db2.gz XGRPWTYUGPYZSH-NSHDSACASA-N 1 0 314.813 1.979 10 0 DDAERO COCC[NH2+]Cc1c(N2CCO[C@H](C)C2)nc2sccn12 ZINC000062734437 184251490 /nfs/dbraw/zinc/25/14/90/184251490.db2.gz ZPBUJNFOCDKCGS-LLVKDONJSA-N 1 0 310.423 1.357 10 0 DDAERO CCC[C@@]1(C(=O)N(CCOC)[C@H](C)COC)CCC[NH2+]C1 ZINC000062860159 184257079 /nfs/dbraw/zinc/25/70/79/184257079.db2.gz FHSUOYCILNAVSN-GDBMZVCRSA-N 1 0 300.443 1.666 10 0 DDAERO CCCCN(C(=O)[C@@]1(CC)CC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000062894835 184258918 /nfs/dbraw/zinc/25/89/18/184258918.db2.gz UNGDOGAKOVBQBQ-HIFRSBDPSA-N 1 0 316.467 1.192 10 0 DDAERO CCC[C@@]1(C(=O)Nc2ccccc2S(C)(=O)=O)CC[NH2+]C1 ZINC000062893148 184258983 /nfs/dbraw/zinc/25/89/83/184258983.db2.gz RECMZMWQTABEMQ-OAHLLOKOSA-N 1 0 310.419 1.808 10 0 DDAERO NNc1ccc(Cl)cc1C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000062943614 184261633 /nfs/dbraw/zinc/26/16/33/184261633.db2.gz TWNCUANLCYWDLJ-LBPRGKRZSA-N 1 0 308.813 1.936 10 0 DDAERO COc1ccccc1N(CCC[NH3+])CCCS(C)(=O)=O ZINC000063014530 184266554 /nfs/dbraw/zinc/26/65/54/184266554.db2.gz QLJOYPBQJSJSDM-UHFFFAOYSA-N 1 0 300.424 1.285 10 0 DDAERO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cc(N)ccc1F ZINC000063120266 184271744 /nfs/dbraw/zinc/27/17/44/184271744.db2.gz AGDOVCCJLYMSSM-UHFFFAOYSA-N 1 0 315.414 1.370 10 0 DDAERO [NH3+][C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000063176260 184276585 /nfs/dbraw/zinc/27/65/85/184276585.db2.gz VQKSINJQDPNUMA-VXGBXAGGSA-N 1 0 312.391 1.006 10 0 DDAERO COc1cc(F)c(S(=O)(=O)N[C@@H]2CCC[C@H]2[NH3+])cc1OC ZINC000063175636 184276873 /nfs/dbraw/zinc/27/68/73/184276873.db2.gz KGNVNLWHYWTEPD-NXEZZACHSA-N 1 0 318.370 1.001 10 0 DDAERO CC(C)c1ccccc1N1C(=O)C[C@H](N2CC[NH2+]CC2)C1=O ZINC000064875702 184305727 /nfs/dbraw/zinc/30/57/27/184305727.db2.gz GFRXKGIWIBWJRU-HNNXBMFYSA-N 1 0 301.390 1.347 10 0 DDAERO CC(C)COc1ccccc1C(=O)N1CCN(CCC[NH3+])CC1 ZINC000066142962 184393208 /nfs/dbraw/zinc/39/32/08/184393208.db2.gz CFNYWUDMZWGHBO-UHFFFAOYSA-N 1 0 319.449 1.828 10 0 DDAERO COc1ccc(CN(C)C(=O)CN2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261610132 207365577 /nfs/dbraw/zinc/36/55/77/207365577.db2.gz BXKHXGVFVQZFEP-MRXNPFEDSA-N 1 0 319.449 1.713 10 0 DDAERO CC1CC[NH+](CCCNC(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000112741146 194516265 /nfs/dbraw/zinc/51/62/65/194516265.db2.gz GXPIYTWANWEFQD-CQSZACIVSA-N 1 0 320.441 1.014 10 0 DDAERO COCC[S@@](=O)Cc1cccc(NC(=O)C[NH2+]CC2CC2)c1 ZINC000159065472 197323480 /nfs/dbraw/zinc/32/34/80/197323480.db2.gz ASJLLGYMJGVBBY-QFIPXVFZSA-N 1 0 324.446 1.520 10 0 DDAERO CCC[C@H](C(=O)Nc1cnn(C(C)(C)C(=O)OCC)c1)[NH+](C)C ZINC000157758220 197213167 /nfs/dbraw/zinc/21/31/67/197213167.db2.gz CFNKAUDQGHERMK-CYBMUJFWSA-N 1 0 324.425 1.850 10 0 DDAERO CCC[C@@H](C(=O)NCCOc1cc(OC)cc(OC)c1)[NH+](C)C ZINC000156201200 197094822 /nfs/dbraw/zinc/09/48/22/197094822.db2.gz FHQAEXLSQAIWJI-INIZCTEOSA-N 1 0 324.421 1.929 10 0 DDAERO C[NH+](C)C[C@H]1CN(Cc2cc(=O)oc3cc(O)ccc23)CCO1 ZINC000155309329 197042555 /nfs/dbraw/zinc/04/25/55/197042555.db2.gz DGOKTUKKPDLEAP-AWEZNQCLSA-N 1 0 318.373 1.261 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)Cc2cc(C)n[nH]2)C[C@@H]1CC ZINC000155238738 197035761 /nfs/dbraw/zinc/03/57/61/197035761.db2.gz SMWBBFDTZKVGME-HNNXBMFYSA-N 1 0 308.426 1.220 10 0 DDAERO CC[C@@H]1CN(C(=O)/C=C/c2cccc(O)c2)CC[N@@H+]1CCOC ZINC000153748006 196905890 /nfs/dbraw/zinc/90/58/90/196905890.db2.gz REPPQSDRDDVCAF-KXPUMZMLSA-N 1 0 318.417 1.975 10 0 DDAERO C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000153200374 196859801 /nfs/dbraw/zinc/85/98/01/196859801.db2.gz DBJCGFAVSMNFKH-XHBSWPGZSA-N 1 0 312.360 1.497 10 0 DDAERO CC[C@H]1CN(Cc2ccccc2C(=O)OC)CC[N@@H+]1C[C@@H](C)O ZINC000120676558 195214438 /nfs/dbraw/zinc/21/44/38/195214438.db2.gz GKCRIBAYIKMGMQ-ZBFHGGJFSA-N 1 0 320.433 1.750 10 0 DDAERO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]2CCCO[C@H]2C)CC1 ZINC000249206830 285321968 /nfs/dbraw/zinc/32/19/68/285321968.db2.gz BWVJYTVOFDADEE-PMPSAXMXSA-N 1 0 311.470 1.191 10 0 DDAERO Cn1cc(C[N@@H+]2CC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C2)cn1 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305.378 1.146 10 0 DDAERO COc1cc(CN2CCO[C@H](C[NH+](C)C)C2)cc2c1OCCO2 ZINC000128141124 195940329 /nfs/dbraw/zinc/94/03/29/195940329.db2.gz NVZVLMCXWKFNHS-CQSZACIVSA-N 1 0 322.405 1.229 10 0 DDAERO C[C@H]1CN(c2ncc(Br)cc2C[NH3+])C[C@H](C)O1 ZINC000051396194 134762525 /nfs/dbraw/zinc/76/25/25/134762525.db2.gz KMGNAUZVTNAHPN-IUCAKERBSA-N 1 0 300.200 1.916 10 0 DDAERO [NH3+][C@@H]1CC[C@H]2CN(CC(=O)NCc3ccc(Cl)cc3)C[C@@H]12 ZINC000261639690 407563255 /nfs/dbraw/zinc/56/32/55/407563255.db2.gz IMWZWQWUTAPBHE-NWANDNLSSA-N 1 0 307.825 1.625 10 0 DDAERO COc1ccccc1-c1cc2c(N3CC[NH2+]CC3)nccn2n1 ZINC000070459151 406818333 /nfs/dbraw/zinc/81/83/33/406818333.db2.gz JAADQSGZQBZRFM-UHFFFAOYSA-N 1 0 309.373 1.815 10 0 DDAERO COc1ccc(-n2nncc2CN2CCC[NH2+]CC2)cc1Cl ZINC000070461049 406818680 /nfs/dbraw/zinc/81/86/80/406818680.db2.gz ZHEFMQDTRVLGIT-UHFFFAOYSA-N 1 0 321.812 1.725 10 0 DDAERO CC(C)C[NH2+]CCn1cc(C(=O)NCc2cccs2)nn1 ZINC000015002333 406878385 /nfs/dbraw/zinc/87/83/85/406878385.db2.gz 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CC(C)[C@H](CNC(=O)N[C@H]1CCc2ncnn2C1)[NH+]1CCCC1 ZINC000112749065 407439023 /nfs/dbraw/zinc/43/90/23/407439023.db2.gz JLTGNQGTUCIKII-KBPBESRZSA-N 1 0 320.441 1.013 10 0 DDAERO CCOc1ccc(NC(=O)[C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cc1 ZINC000112548316 407431774 /nfs/dbraw/zinc/43/17/74/407431774.db2.gz LUAQUSUXCUTMDI-CZUORRHYSA-N 1 0 321.421 1.333 10 0 DDAERO CC(=O)c1c[nH]c(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000112712130 407436982 /nfs/dbraw/zinc/43/69/82/407436982.db2.gz OKKAYCCNCRAPAW-GFCCVEGCSA-N 1 0 321.421 1.382 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCNC(=O)C(C)(C)C ZINC000113224909 407477235 /nfs/dbraw/zinc/47/72/35/407477235.db2.gz MUAYVVBRMFUHOQ-UONOGXRCSA-N 1 0 309.454 1.624 10 0 DDAERO CNC(=O)[C@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C(C)C ZINC000178458264 407461513 /nfs/dbraw/zinc/46/15/13/407461513.db2.gz NDGDZDSZRHTCQD-NWDGAFQWSA-N 1 0 300.447 1.033 10 0 DDAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC000178751142 407582557 /nfs/dbraw/zinc/58/25/57/407582557.db2.gz HUQZOCJEMZHIIE-CQSZACIVSA-N 1 0 312.377 1.192 10 0 DDAERO CCc1cccc(C)c1NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170845482 407527173 /nfs/dbraw/zinc/52/71/73/407527173.db2.gz XXDQCLZFQUFVGG-CQSZACIVSA-N 1 0 303.406 1.658 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2cccc3cnccc32)C1 ZINC000170845211 407527686 /nfs/dbraw/zinc/52/76/86/407527686.db2.gz DXLISLAALGEDAP-CYBMUJFWSA-N 1 0 312.373 1.336 10 0 DDAERO C[C@@H](O)C[NH+]1CCC(CN(C)c2ccc3nccnc3n2)CC1 ZINC000261439138 407537979 /nfs/dbraw/zinc/53/79/79/407537979.db2.gz FODUERQQWVXRQS-CYBMUJFWSA-N 1 0 315.421 1.554 10 0 DDAERO CC(=O)N(CCC(=O)N1CC[C@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000170868210 407538671 /nfs/dbraw/zinc/53/86/71/407538671.db2.gz RIHIREROFDYFMP-KRWDZBQOSA-N 1 0 317.433 1.588 10 0 DDAERO CCOC(=O)N1CC[C@H](NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000185918811 407538661 /nfs/dbraw/zinc/53/86/61/407538661.db2.gz GGKBVVLPCLZYQY-IHRRRGAJSA-N 1 0 324.425 1.095 10 0 DDAERO Cc1nc(-c2cccc(NC(=O)N3CC[C@@H]([NH+](C)C)C3)c2)n[nH]1 ZINC000170878523 407540249 /nfs/dbraw/zinc/54/02/49/407540249.db2.gz VWQZTQOLLZQGDW-CQSZACIVSA-N 1 0 314.393 1.948 10 0 DDAERO [NH3+]C1(C(=O)NCCc2nc3ccccc3s2)CCOCC1 ZINC000261757488 407604088 /nfs/dbraw/zinc/60/40/88/407604088.db2.gz QUELGDZBRXZWMS-UHFFFAOYSA-N 1 0 305.403 1.463 10 0 DDAERO C[C@H](NC(=O)C1([NH3+])CCOCC1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000261804905 407623408 /nfs/dbraw/zinc/62/34/08/407623408.db2.gz JCSGQVJQVHZDEF-SLEUVZQESA-N 1 0 304.390 1.564 10 0 DDAERO CC[NH+](CC)[C@@H](C(=O)N[C@@H](C(=O)NC)C(C)C)c1ccccc1 ZINC000178866712 407633541 /nfs/dbraw/zinc/63/35/41/407633541.db2.gz QUYGXMHMFWTWSN-HZPDHXFCSA-N 1 0 319.449 1.956 10 0 DDAERO CC(C)C(=O)Nc1ccc(C(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000171287904 407650334 /nfs/dbraw/zinc/65/03/34/407650334.db2.gz SSZAMUSLASBVCV-HNNXBMFYSA-N 1 0 319.405 1.342 10 0 DDAERO CC(C)([NH3+])CC(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000178772042 407595764 /nfs/dbraw/zinc/59/57/64/407595764.db2.gz XICQALZZURKRSA-UHFFFAOYSA-N 1 0 302.378 1.604 10 0 DDAERO Cc1noc(C2CC2)c1NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000129164779 407595854 /nfs/dbraw/zinc/59/58/54/407595854.db2.gz TVDPLOXCTWIFOS-GFCCVEGCSA-N 1 0 308.382 1.655 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(C)nn(C)c2OC)C12CCOCC2 ZINC000186506201 407687137 /nfs/dbraw/zinc/68/71/37/407687137.db2.gz LWBVUWHYQIJUST-HUUCEWRRSA-N 1 0 323.437 1.801 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(OC)c(OCC(F)(F)F)c1 ZINC000262066960 407729865 /nfs/dbraw/zinc/72/98/65/407729865.db2.gz JDOALBZDKDQEIN-SECBINFHSA-N 1 0 322.283 1.549 10 0 DDAERO O=C(c1cccnc1N1CCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171585348 407711858 /nfs/dbraw/zinc/71/18/58/407711858.db2.gz PJYPFIPPGUWIAR-CQSZACIVSA-N 1 0 300.406 1.602 10 0 DDAERO O=C(CC[N@@H+](Cc1cccc(O)c1)CC1CC1)N1CC[NH2+]CC1 ZINC000262035347 407721058 /nfs/dbraw/zinc/72/10/58/407721058.db2.gz HEAZDKQXUKQXRE-UHFFFAOYSA-N 1 0 317.433 1.426 10 0 DDAERO [NH3+][C@H](C(=O)Nc1nc2c(cccc2Cl)[nH]1)C1CCOCC1 ZINC000262064523 407728849 /nfs/dbraw/zinc/72/88/49/407728849.db2.gz RXFUFDAPDGEUCF-NSHDSACASA-N 1 0 308.769 1.909 10 0 DDAERO Cc1ccccc1OCCCNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261896527 407661163 /nfs/dbraw/zinc/66/11/63/407661163.db2.gz WBKZEZRVASJBQT-MRXNPFEDSA-N 1 0 306.406 1.634 10 0 DDAERO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3cccc4nsnc43)C[C@@H]12 ZINC000262073096 407731028 /nfs/dbraw/zinc/73/10/28/407731028.db2.gz PMIVOWPRXKGOMQ-IVZWLZJFSA-N 1 0 324.431 1.049 10 0 DDAERO COc1cccc(CN(C)C(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171639326 407731037 /nfs/dbraw/zinc/73/10/37/407731037.db2.gz ULIBFGDACYFDOW-MRXNPFEDSA-N 1 0 317.433 1.434 10 0 DDAERO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3cccc4nsnc43)C[C@H]12 ZINC000262073099 407731174 /nfs/dbraw/zinc/73/11/74/407731174.db2.gz PMIVOWPRXKGOMQ-KXUCPTDWSA-N 1 0 324.431 1.049 10 0 DDAERO COc1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000171771033 407764667 /nfs/dbraw/zinc/76/46/67/407764667.db2.gz GENYFSXFPWZCDF-LLVKDONJSA-N 1 0 314.382 1.303 10 0 DDAERO CCC(=O)Nc1cccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000116785574 407775127 /nfs/dbraw/zinc/77/51/27/407775127.db2.gz IYSQFEJIWWYAFC-HNNXBMFYSA-N 1 0 319.405 1.438 10 0 DDAERO CC[S@@](=O)c1ccccc1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116786288 407776280 /nfs/dbraw/zinc/77/62/80/407776280.db2.gz BLJLCBGCYQRPMP-DMZKTXOQSA-N 1 0 324.446 1.217 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N(Cc1cccc(C)c1)Cc1ccccn1 ZINC000262261702 407778956 /nfs/dbraw/zinc/77/89/56/407778956.db2.gz JKYYFHHDOPIUGK-QGZVFWFLSA-N 1 0 313.401 1.893 10 0 DDAERO COC[C@H]([NH3+])C(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000262266732 407779031 /nfs/dbraw/zinc/77/90/31/407779031.db2.gz JXWXRJVJVAEPFK-INIZCTEOSA-N 1 0 306.406 1.416 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)NCCOC(C)C)C[C@H]1CC ZINC000186859211 407787020 /nfs/dbraw/zinc/78/70/20/407787020.db2.gz PPDLZRDUWIFNLB-OAHLLOKOSA-N 1 0 315.458 1.554 10 0 DDAERO C[C@@H](NC(=O)C1([NH3+])CCOCC1)c1ccccc1OC(F)F ZINC000262353607 407809018 /nfs/dbraw/zinc/80/90/18/407809018.db2.gz VOAHFKHACHUQGU-SNVBAGLBSA-N 1 0 314.332 1.973 10 0 DDAERO CC(C)Oc1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000179886106 407839627 /nfs/dbraw/zinc/83/96/27/407839627.db2.gz GZPIWVMQQIOKEU-CYBMUJFWSA-N 1 0 312.435 1.798 10 0 DDAERO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000262653806 407892710 /nfs/dbraw/zinc/89/27/10/407892710.db2.gz YZZQWBJGOBYXTG-BLLLJJGKSA-N 1 0 306.410 1.686 10 0 DDAERO CC[C@H]1CN(C(=O)/C=C/c2cccc(O)c2)CC[N@@H+]1CCOC ZINC000153748084 407895216 /nfs/dbraw/zinc/89/52/16/407895216.db2.gz REPPQSDRDDVCAF-WAVCKPEOSA-N 1 0 318.417 1.975 10 0 DDAERO C[C@H]1C[N@H+](Cc2cn(C)nc2C(C)(C)C)C[C@@H]1N1CCOCC1 ZINC000180655723 407906801 /nfs/dbraw/zinc/90/68/01/407906801.db2.gz HPLBHGJOYPNKFT-HOCLYGCPSA-N 1 0 320.481 1.870 10 0 DDAERO CCC[C@](C)([NH3+])C(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000262720938 407910145 /nfs/dbraw/zinc/91/01/45/407910145.db2.gz ZOAKRAXTRFBJLT-NHYWBVRUSA-N 1 0 309.414 1.101 10 0 DDAERO CCO[C@H]1C[C@H]([N@H+](C)CCCC(=O)NC(N)=O)C12CCCC2 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PIZIFYDJRYGNEJ-UWVGGRQHSA-N 1 0 310.151 1.894 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)COc2cccc(C(C)=O)c2)C1 ZINC000194626102 418547241 /nfs/dbraw/zinc/54/72/41/418547241.db2.gz DYLIXBUKOBLSOB-HNNXBMFYSA-N 1 0 304.390 1.869 10 0 DDAERO COCCN1CCN(C(=O)NCC2(SC)CCC2)C[C@H]1C ZINC000195111901 222191939 /nfs/dbraw/zinc/19/19/39/222191939.db2.gz GAAQIUVXTNBPBV-CYBMUJFWSA-N 1 0 315.483 1.634 10 0 DDAERO CCCCOC[C@@H](O)CN1CC[NH+](CC2CCOCC2)CC1 ZINC000195177987 222193430 /nfs/dbraw/zinc/19/34/30/222193430.db2.gz HIERKWZZRGYMNP-KRWDZBQOSA-N 1 0 314.470 1.208 10 0 DDAERO CCCCOC[C@@H](O)C[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000195215805 222193555 /nfs/dbraw/zinc/19/35/55/222193555.db2.gz VWHKGYFKSHRGNC-HNNXBMFYSA-N 1 0 300.443 1.354 10 0 DDAERO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN([C@@H]2CCN(C)C2=O)C1 ZINC000195257736 222194757 /nfs/dbraw/zinc/19/47/57/222194757.db2.gz GBELWMHRGKISGN-UONOGXRCSA-N 1 0 322.478 1.436 10 0 DDAERO CC1(C)C[N@H+](C[C@H](O)COCc2ccccc2)[C@@H]2COC[C@@H]21 ZINC000384640454 418735768 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C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1c(Br)cnn1C ZINC000638880236 423171727 /nfs/dbraw/zinc/17/17/27/423171727.db2.gz YGGJNYMVLWAAQV-RKDXNWHRSA-N 1 0 315.215 1.187 10 0 DDAERO CCc1cc2c(ncnc2NCC(=O)N2CC[NH2+]CC2)s1 ZINC000037716367 263253531 /nfs/dbraw/zinc/25/35/31/263253531.db2.gz LVHXOXPLGRDDKQ-UHFFFAOYSA-N 1 0 305.407 1.097 10 0 DDAERO COC[C@]1(C(=O)NC[C@H](C)COCc2ccccc2)CCC[NH2+]1 ZINC000643658666 423250363 /nfs/dbraw/zinc/25/03/63/423250363.db2.gz ZMFCERAVHCDKQP-YJBOKZPZSA-N 1 0 320.433 1.724 10 0 DDAERO O=C(NCCCCOCc1ccccc1)[C@H]1C[NH2+]CCOC1 ZINC000643670462 423257686 /nfs/dbraw/zinc/25/76/86/423257686.db2.gz BBIJQWWTBVNEAB-INIZCTEOSA-N 1 0 306.406 1.336 10 0 DDAERO CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000644120906 423501091 /nfs/dbraw/zinc/50/10/91/423501091.db2.gz TYJUMTBVWBZDCT-KGLIPLIRSA-N 1 0 306.410 1.430 10 0 DDAERO O=c1[nH]c2ccccc2cc1C[NH2+][C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000657516498 424395537 /nfs/dbraw/zinc/39/55/37/424395537.db2.gz WSVUFLBNGFMCQD-ARFHVFGLSA-N 1 0 310.357 1.601 10 0 DDAERO C[C@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)[C@@H]1C[NH3+] ZINC000262584744 274555731 /nfs/dbraw/zinc/55/57/31/274555731.db2.gz ZPDZCBKEYPJPAA-DTWKUNHWSA-N 1 0 314.315 1.707 10 0 DDAERO Brc1ccc(N2CCN([C@H]3CC[NH2+]C3)CC2)nc1 ZINC000261573695 275369428 /nfs/dbraw/zinc/36/94/28/275369428.db2.gz MJKSULNRFQSYDY-LBPRGKRZSA-N 1 0 311.227 1.328 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@]12CCOC2=O ZINC000187691103 277392990 /nfs/dbraw/zinc/39/29/90/277392990.db2.gz PSZLOGSXFNHNKQ-RHSMWYFYSA-N 1 0 323.437 1.598 10 0 DDAERO COC[C@@H]([NH3+])C(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000262023286 277567298 /nfs/dbraw/zinc/56/72/98/277567298.db2.gz DEBUDSRLXBQTNB-LLVKDONJSA-N 1 0 313.195 1.528 10 0 DDAERO COc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc1 ZINC000262039671 277921975 /nfs/dbraw/zinc/92/19/75/277921975.db2.gz YIEKYDXRUDQSKJ-RCCFBDPRSA-N 1 0 320.433 1.821 10 0 DDAERO COc1nc(N2C[C@H](C)[C@H]([NH+](C)C)C2)ncc1Br ZINC000268226466 278085309 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C[C@@H]1Oc2ccc(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)cc2NC1=O ZINC000237508172 279063711 /nfs/dbraw/zinc/06/37/11/279063711.db2.gz SHZBWOHHWSLKFE-GARJFASQSA-N 1 0 303.362 1.862 10 0 DDAERO O=C1NCC[C@@]12C[N@H+](Cc1ccccc1)CCC21OCCO1 ZINC000095627135 280290619 /nfs/dbraw/zinc/29/06/19/280290619.db2.gz QSEYFZVYMMXJOR-MRXNPFEDSA-N 1 0 302.374 1.142 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCn2ccnc2C1 ZINC000119290826 281094954 /nfs/dbraw/zinc/09/49/54/281094954.db2.gz BTJQVQQFAXYRNT-RBSFLKMASA-N 1 0 302.422 1.531 10 0 DDAERO COCCc1cc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)n(C)n1 ZINC000127596462 281280483 /nfs/dbraw/zinc/28/04/83/281280483.db2.gz XDOPWTGIZWTIIS-JSGCOSHPSA-N 1 0 323.441 1.459 10 0 DDAERO CCNc1ncc(C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)s1 ZINC000129310991 281340143 /nfs/dbraw/zinc/34/01/43/281340143.db2.gz XKRXNDZGSMCNRM-GHMZBOCLSA-N 1 0 312.439 1.102 10 0 DDAERO Cc1nc(N[C@@H]2CCCC[C@@H]2C[NH3+])sc1S(N)(=O)=O ZINC000261564895 281975764 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C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1C[C@]12CCOc1ccccc12 ZINC000261812371 297397750 /nfs/dbraw/zinc/39/77/50/297397750.db2.gz MTQFLYPCPNHPGC-GGKPKWOWSA-N 1 0 300.402 1.923 10 0 DDAERO O=C(OCc1ccccc1)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC000401823863 302373639 /nfs/dbraw/zinc/37/36/39/302373639.db2.gz FSJRETOYINWGQV-HNNXBMFYSA-N 1 0 315.377 1.279 10 0 DDAERO [NH3+]C[C@H](Cc1ccc(F)cc1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000584634927 337374729 /nfs/dbraw/zinc/37/47/29/337374729.db2.gz AGJHKKZUULCYMR-STQMWFEESA-N 1 0 306.303 1.695 10 0 DDAERO Clc1cc(Br)cnc1NC[C@@H]1COCC[NH2+]1 ZINC000236052220 484178524 /nfs/dbraw/zinc/17/85/24/484178524.db2.gz OBNDEJJGHYPCQZ-MRVPVSSYSA-N 1 0 306.591 1.898 10 0 DDAERO O=C(CSc1ccccc1Cl)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262059439 484261021 /nfs/dbraw/zinc/26/10/21/484261021.db2.gz ARPKRUVURXKYKC-KOLCDFICSA-N 1 0 300.811 1.129 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(-c2ccc(F)cc2)o1 ZINC000262057332 484261155 /nfs/dbraw/zinc/26/11/55/484261155.db2.gz AOJPGUCILSMZHR-DGCLKSJQSA-N 1 0 304.321 1.396 10 0 DDAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1ccc(Br)cc1Cl ZINC000262165125 484264950 /nfs/dbraw/zinc/26/49/50/484264950.db2.gz UGBRMYGXALKWFB-BXKDBHETSA-N 1 0 319.630 1.772 10 0 DDAERO O=C(Cc1coc2cc3c(cc12)CCC3)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262215521 484265654 /nfs/dbraw/zinc/26/56/54/484265654.db2.gz JDDGQZNRYQDAPV-GDBMZVCRSA-N 1 0 314.385 1.161 10 0 DDAERO COc1ccc2sc(C(=O)NC[C@@H]3C[NH2+]C[C@H]3O)c(C)c2c1 ZINC000262287807 484267974 /nfs/dbraw/zinc/26/79/74/484267974.db2.gz OLWFUQXOZLLQSR-GXFFZTMASA-N 1 0 320.414 1.528 10 0 DDAERO CCCOc1ccc(CCC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262322640 484268917 /nfs/dbraw/zinc/26/89/17/484268917.db2.gz RNMGHZXQHQXIQU-HOCLYGCPSA-N 1 0 306.406 1.105 10 0 DDAERO CSc1ccc(Cl)c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000262378472 484270211 /nfs/dbraw/zinc/27/02/11/484270211.db2.gz WVHAPXJLJQAKEH-PRHODGIISA-N 1 0 300.811 1.372 10 0 DDAERO Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262401755 484270899 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CC[C@H](O)C[NH+]1CCN(C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000174091573 697384038 /nfs/dbraw/zinc/38/40/38/697384038.db2.gz OTEVHZCQUCIGSP-BBRMVZONSA-N 1 0 314.376 1.387 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)Cc2ncc(Cl)n2C)C1 ZINC000181414606 697460433 /nfs/dbraw/zinc/46/04/33/697460433.db2.gz RUNWCVQVFNBEPK-LLVKDONJSA-N 1 0 313.833 1.699 10 0 DDAERO CC(C)(C)[C@@]1(C)NC(=O)N(CN2CC[N@@H+]3CCC[C@@H]3C2)C1=O ZINC000193313663 697659168 /nfs/dbraw/zinc/65/91/68/697659168.db2.gz DZQAJBUIIXDQCX-WBMJQRKESA-N 1 0 308.426 1.081 10 0 DDAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)N[C@H]1COc2ccccc21 ZINC000195197927 697734416 /nfs/dbraw/zinc/73/44/16/697734416.db2.gz SSFJPNHQWOVGCI-HIFRSBDPSA-N 1 0 319.405 1.266 10 0 DDAERO Cc1nn(C)c2cnn(CCC(=O)NCC(C)(C)C[NH+](C)C)c12 ZINC000223862811 697763334 /nfs/dbraw/zinc/76/33/34/697763334.db2.gz OSTOIZTVZFVSOH-UHFFFAOYSA-N 1 0 320.441 1.172 10 0 DDAERO CC(C)Oc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000236735104 697798664 /nfs/dbraw/zinc/79/86/64/697798664.db2.gz HTGSHOZUBZVHIM-SWLSCSKDSA-N 1 0 312.435 1.880 10 0 DDAERO CCCC[C@H]1NC(=O)N(CN(C)C[C@H]2CCC[N@@H+]2CC)C1=O ZINC000245429834 697823903 /nfs/dbraw/zinc/82/39/03/697823903.db2.gz ZBSBFGNRJLJWBC-ZIAGYGMSSA-N 1 0 310.442 1.471 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@](C)(O)c2cc(C)oc2C)C1 ZINC000246150889 698344254 /nfs/dbraw/zinc/34/42/54/698344254.db2.gz KFWKEHSAAFMRFF-WMLDXEAASA-N 1 0 323.437 1.887 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@](C)(O)c2ccccc2)C1 ZINC000246782970 698355107 /nfs/dbraw/zinc/35/51/07/698355107.db2.gz QQJYOGNVRVGNCN-NVXWUHKLSA-N 1 0 305.422 1.678 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCc1ccnn1C ZINC000248397003 698372803 /nfs/dbraw/zinc/37/28/03/698372803.db2.gz KXKZBTFYAMBXLU-HIFRSBDPSA-N 1 0 305.426 1.231 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC(c3cccnc3)=NO2)C1 ZINC000249951115 698398275 /nfs/dbraw/zinc/39/82/75/698398275.db2.gz HPAPUHWOKZEDBW-UKRRQHHQSA-N 1 0 302.378 1.175 10 0 DDAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1cc(Cl)sc1Cl ZINC000261592393 698428282 /nfs/dbraw/zinc/42/82/82/698428282.db2.gz VUNNMFZGMSTJPN-YFKPBYRVSA-N 1 0 303.236 1.941 10 0 DDAERO C[NH2+][C@H](C)CNS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1 ZINC000261615263 698428765 /nfs/dbraw/zinc/42/87/65/698428765.db2.gz APELMZUURUBMHP-MRVPVSSYSA-N 1 0 320.798 1.013 10 0 DDAERO C[NH2+][C@H](C)CNC(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1 ZINC000261671812 698432071 /nfs/dbraw/zinc/43/20/71/698432071.db2.gz GTUNQZSVZGALKV-GHMZBOCLSA-N 1 0 309.435 1.850 10 0 DDAERO C[NH2+][C@@H](C)CNC(=O)C[C@@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000261784575 698437806 /nfs/dbraw/zinc/43/78/06/698437806.db2.gz QIWYIFKFCVQXDJ-KBPBESRZSA-N 1 0 312.458 1.178 10 0 DDAERO COc1ccc(OC)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)c1 ZINC000261911301 698443950 /nfs/dbraw/zinc/44/39/50/698443950.db2.gz JCBINLAWCYDZSG-ZACQAIPSSA-N 1 0 320.433 1.951 10 0 DDAERO COc1ccc(CCNC(=O)[C@H]2CCC[NH2+][C@@H]2C)cc1OC ZINC000262039944 698451624 /nfs/dbraw/zinc/45/16/24/698451624.db2.gz BRMLIRQLPJVPPO-OCCSQVGLSA-N 1 0 306.406 1.751 10 0 DDAERO [NH3+]C1(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)CCOCC1 ZINC000262057411 698452760 /nfs/dbraw/zinc/45/27/60/698452760.db2.gz DQSUGTCLWCYQGX-CQSZACIVSA-N 1 0 324.808 1.748 10 0 DDAERO COC[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000262220326 698459906 /nfs/dbraw/zinc/45/99/06/698459906.db2.gz FQXLRNCNFUPSIR-KWQFWETISA-N 1 0 306.284 1.736 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(C2SCCS2)cc1 ZINC000262235773 698460846 /nfs/dbraw/zinc/46/08/46/698460846.db2.gz KOKUSESDLULHKN-STQMWFEESA-N 1 0 324.471 1.475 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000262273578 698462188 /nfs/dbraw/zinc/46/21/88/698462188.db2.gz KRRPNBMTDGAEQB-NEPJUHHUSA-N 1 0 313.195 1.526 10 0 DDAERO COC[C@H]([NH3+])C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000262273581 698462285 /nfs/dbraw/zinc/46/22/85/698462285.db2.gz KRRPNBMTDGAEQB-RYUDHWBXSA-N 1 0 313.195 1.526 10 0 DDAERO Cc1ccc2nc(CN(C)[C@@H]3CCC[NH2+]CC3)cc(=O)n2c1 ZINC000262552041 698474001 /nfs/dbraw/zinc/47/40/01/698474001.db2.gz SPKYXDZPGVSLQK-OAHLLOKOSA-N 1 0 300.406 1.577 10 0 DDAERO COC(=O)[C@@H]1C[N@H+](C[C@H](O)COCc2ccccc2)C[C@@H]1C ZINC000309576921 698665175 /nfs/dbraw/zinc/66/51/75/698665175.db2.gz WLBQVLYJIFXVMS-CWRNSKLLSA-N 1 0 307.390 1.305 10 0 DDAERO O=C(c1nc(Cl)ccc1Cl)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000700309129 699221164 /nfs/dbraw/zinc/22/11/64/699221164.db2.gz XMGRRWHCZPKRTQ-UWVGGRQHSA-N 1 0 316.188 1.591 10 0 DDAERO Cc1c(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cnn1C ZINC000702763702 699232473 /nfs/dbraw/zinc/23/24/73/699232473.db2.gz IPYMQGACHNEBPT-KGLIPLIRSA-N 1 0 324.425 1.046 10 0 DDAERO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)/C=C/c1ccccc1 ZINC000713313212 699265687 /nfs/dbraw/zinc/26/56/87/699265687.db2.gz BOFYSXPGAIBFDT-RMKNXTFCSA-N 1 0 308.325 1.810 10 0 DDAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1ncc(Br)s1 ZINC000714943567 699272860 /nfs/dbraw/zinc/27/28/60/699272860.db2.gz MUYQVTOKTFHVLN-HTQZYQBOSA-N 1 0 318.240 1.910 10 0 DDAERO C[C@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000716714518 699284173 /nfs/dbraw/zinc/28/41/73/699284173.db2.gz BAHDRINDPDAKKV-YWPUVAFDSA-N 1 0 311.426 1.485 10 0 DDAERO FC1(F)CC[NH2+]C[C@@H]1CNc1ncc(Br)cn1 ZINC000717046619 699285948 /nfs/dbraw/zinc/28/59/48/699285948.db2.gz KGPFLLTZDSZATI-SSDOTTSWSA-N 1 0 307.142 1.896 10 0 DDAERO COc1c(C[NH2+]C[C@H]2CCN2C(=O)OC(C)(C)C)c(C)nn1C ZINC000724922459 699328444 /nfs/dbraw/zinc/32/84/44/699328444.db2.gz BOMDJXPOEIQBJT-GFCCVEGCSA-N 1 0 324.425 1.836 10 0 DDAERO COc1ccccc1/C(C)=C\C(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000886035198 708686188 /nfs/dbraw/zinc/68/61/88/708686188.db2.gz CEUJNTSVQMEXMD-NNRPAZIYSA-N 1 0 302.374 1.298 10 0 DDAERO CO[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1c1cn(C)nn1 ZINC000886093694 708696794 /nfs/dbraw/zinc/69/67/94/708696794.db2.gz BEYBHGJCJQXZFE-DOTOQJQBSA-N 1 0 323.400 1.978 10 0 DDAERO COC[C@H]([NH2+]C[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1)C(C)C ZINC000886094916 708697337 /nfs/dbraw/zinc/69/73/37/708697337.db2.gz HKPJUYCOPGXLDS-KMFMINBZSA-N 1 0 322.453 1.590 10 0 DDAERO CC[C@H]1CN(C(=O)NCc2cccc(C)n2)CC[N@@H+]1C[C@H](C)O ZINC000248457214 282085003 /nfs/dbraw/zinc/08/50/03/282085003.db2.gz ONEWSAQJXJWTPB-HOCLYGCPSA-N 1 0 320.437 1.377 10 0 DDAERO CCC[NH2+][C@@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000081934634 192342566 /nfs/dbraw/zinc/34/25/66/192342566.db2.gz ZMFNPAHTTWJRID-KGLIPLIRSA-N 1 0 319.373 1.896 10 0 DDAERO CC(C)(C)[C@H](CC[NH3+])CCC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000079291494 185163601 /nfs/dbraw/zinc/16/36/01/185163601.db2.gz YOCYSBSOJUITDJ-STQMWFEESA-N 1 0 318.483 1.329 10 0 DDAERO CC(C)(C)[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCS(C)(=O)=O)CC1 ZINC000079342080 185165896 /nfs/dbraw/zinc/16/58/96/185165896.db2.gz OITUCYZGCXGZMD-CHWSQXEVSA-N 1 0 318.483 1.423 10 0 DDAERO CC[NH2+][C@@H](CCSc1ncccc1Br)C(N)=O ZINC000079447220 185171973 /nfs/dbraw/zinc/17/19/73/185171973.db2.gz FBVOZPIGPGDPJL-VIFPVBQESA-N 1 0 318.240 1.790 10 0 DDAERO COCCOCC[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000079469376 185172824 /nfs/dbraw/zinc/17/28/24/185172824.db2.gz QYPBFFVFRFKUQW-ZDUSSCGKSA-N 1 0 302.415 1.639 10 0 DDAERO CC(C)(C)OC[C@@H](O)C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000054171657 539032515 /nfs/dbraw/zinc/03/25/15/539032515.db2.gz KPMKFWMOXUXMAT-HNNXBMFYSA-N 1 0 312.454 1.497 10 0 DDAERO CS(=O)(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])cc1 ZINC000079523935 185173886 /nfs/dbraw/zinc/17/38/86/185173886.db2.gz DFDHASFCYVLTSO-QOBDMFJFSA-N 1 0 308.403 1.402 10 0 DDAERO CC[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)S(=O)(=O)CCOC ZINC000081944451 192345850 /nfs/dbraw/zinc/34/58/50/192345850.db2.gz VWVLJQWGNKHWQB-DOMZBBRYSA-N 1 0 315.435 1.796 10 0 DDAERO CS(=O)(=O)C[C@H](O)[C@@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000087368398 185222960 /nfs/dbraw/zinc/22/29/60/185222960.db2.gz JJJINGGKMGZHPX-ONGXEEELSA-N 1 0 312.218 1.441 10 0 DDAERO CC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(Br)c(C)c1 ZINC000087386248 185223384 /nfs/dbraw/zinc/22/33/84/185223384.db2.gz VBEHJKWKRNLOJC-VIFPVBQESA-N 1 0 321.240 1.773 10 0 DDAERO C[NH2+]CCCN(C)c1ccc(I)cc1N ZINC000087471366 185225937 /nfs/dbraw/zinc/22/59/37/185225937.db2.gz LKSYTCSOMZBJCQ-UHFFFAOYSA-N 1 0 319.190 1.919 10 0 DDAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC000087519532 185227499 /nfs/dbraw/zinc/22/74/99/185227499.db2.gz HOUPAQQBAOYJEU-NSHDSACASA-N 1 0 313.423 1.217 10 0 DDAERO [NH3+]C[C@@H](c1ccc(Br)s1)N1CCCNC(=O)C1 ZINC000087883013 185234586 /nfs/dbraw/zinc/23/45/86/185234586.db2.gz ACXVDZYYOXHSBP-QMMMGPOBSA-N 1 0 318.240 1.332 10 0 DDAERO NNc1nc(N2CCCC[C@@H]2CCO)c(Br)c[nH+]1 ZINC000087897184 185235650 /nfs/dbraw/zinc/23/56/50/185235650.db2.gz IHXKHGXEWKFODC-MRVPVSSYSA-N 1 0 316.203 1.266 10 0 DDAERO CO[C@H]1CCC[C@@H]1Nc1nc(NN)[nH+]cc1Br ZINC000087868916 185234123 /nfs/dbraw/zinc/23/41/23/185234123.db2.gz GOQDIBRESMEZHI-YUMQZZPRSA-N 1 0 302.176 1.504 10 0 DDAERO CCc1cc(N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)nc(C)n1 ZINC000302127325 529531374 /nfs/dbraw/zinc/53/13/74/529531374.db2.gz ZYJGVPLTFQNIOS-KRWDZBQOSA-N 1 0 317.481 1.954 10 0 DDAERO COc1ccnc(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000176449528 539229495 /nfs/dbraw/zinc/22/94/95/539229495.db2.gz RHMCGVCLNOVVGV-CYBMUJFWSA-N 1 0 321.421 1.255 10 0 DDAERO CCn1ccnc(N2CCC([NH2+]Cc3ccncc3)CC2)c1=O ZINC000328631713 529548209 /nfs/dbraw/zinc/54/82/09/529548209.db2.gz KTYLDHGTCROIHY-UHFFFAOYSA-N 1 0 313.405 1.417 10 0 DDAERO CC(C)C[C@@H](C[NH3+])CC(=O)N(C)CC(=O)NCC(F)(F)F ZINC000088277291 185244580 /nfs/dbraw/zinc/24/45/80/185244580.db2.gz CSYFENYDNWMJRM-SNVBAGLBSA-N 1 0 311.348 1.134 10 0 DDAERO COC(=O)CS(=O)(=O)C[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000081976624 192348555 /nfs/dbraw/zinc/34/85/55/192348555.db2.gz AVXQVLHBOSYUJB-MFORYBBRSA-N 1 0 315.435 1.118 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)C1 ZINC000247640592 282198022 /nfs/dbraw/zinc/19/80/22/282198022.db2.gz UUQKZYIFXOAMRP-NFAWXSAZSA-N 1 0 313.467 1.387 10 0 DDAERO CC[C@@H](C(N)=S)S(=O)(=O)NCC[NH+](C(C)C)C(C)C ZINC000088486731 185253074 /nfs/dbraw/zinc/25/30/74/185253074.db2.gz XYQZOXPNMUNFOJ-NSHDSACASA-N 1 0 309.501 1.089 10 0 DDAERO O[C@H]1CCC2(C[C@H]1[NH+]1CCC(C(F)(F)F)CC1)OCCO2 ZINC000088434154 185250146 /nfs/dbraw/zinc/25/01/46/185250146.db2.gz SXJRFSLSLUQGGP-NEPJUHHUSA-N 1 0 309.328 1.917 10 0 DDAERO COC[C@@H](C)NS(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000088541986 185256096 /nfs/dbraw/zinc/25/60/96/185256096.db2.gz QNOIWOPCJFEZFA-LLVKDONJSA-N 1 0 304.412 1.338 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2CC)o1 ZINC000088544353 185256724 /nfs/dbraw/zinc/25/67/24/185256724.db2.gz KRPYJCWVFXAUDA-NEPJUHHUSA-N 1 0 316.423 1.577 10 0 DDAERO C[NH2+]Cc1cccc(Br)c1OCc1ncnn1C ZINC000088571726 185258191 /nfs/dbraw/zinc/25/81/91/185258191.db2.gz WVQQWUISCYDMSS-UHFFFAOYSA-N 1 0 311.183 1.876 10 0 DDAERO C[NH2+]CCN(C)C(=O)c1sc2nc3c(cc2c1N)CCC3 ZINC000088644676 185261497 /nfs/dbraw/zinc/26/14/97/185261497.db2.gz STSRJZVFHYZFBK-UHFFFAOYSA-N 1 0 304.419 1.659 10 0 DDAERO C[C@@H](c1ccc(Cl)cc1Cl)N1CC[NH2+]C[C@@H]1C(N)=O ZINC000088659578 185261870 /nfs/dbraw/zinc/26/18/70/185261870.db2.gz OCXQEFBEPUFGCV-QPUJVOFHSA-N 1 0 302.205 1.814 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)CC[C@@H]2CCCO2)C1 ZINC000246052588 539269345 /nfs/dbraw/zinc/26/93/45/539269345.db2.gz UPNMYTRQRHXXAY-HZSPNIEDSA-N 1 0 304.456 1.204 10 0 DDAERO CC[C@H](C)[C@@H]1CN([C@H]2C=CS(=O)(=O)C2)[C@H](C(C)C)C[NH2+]1 ZINC000088860371 185267380 /nfs/dbraw/zinc/26/73/80/185267380.db2.gz JJTPTUZPKUORBL-AJNGGQMLSA-N 1 0 300.468 1.642 10 0 DDAERO Cc1ccccc1S(=O)(=O)NCCCOC1CC[NH2+]CC1 ZINC000088716367 185263215 /nfs/dbraw/zinc/26/32/15/185263215.db2.gz FYYAHCXDINYSLF-UHFFFAOYSA-N 1 0 312.435 1.432 10 0 DDAERO CCCN(CC(=O)NCCSc1ccccc1)C1C[NH2+]C1 ZINC000090293611 185289876 /nfs/dbraw/zinc/28/98/76/185289876.db2.gz OLNSGNKZGLQJTA-UHFFFAOYSA-N 1 0 307.463 1.579 10 0 DDAERO O=C(c1cccc(Cl)c1Cl)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308720 185290336 /nfs/dbraw/zinc/29/03/36/185290336.db2.gz PSBVXBXOJRXYKM-UHFFFAOYSA-N 1 0 314.216 1.723 10 0 DDAERO c1csc(-c2cc(CN3CC(N4CC[NH2+]CC4)C3)no2)c1 ZINC000090309207 185290593 /nfs/dbraw/zinc/29/05/93/185290593.db2.gz FQFJIAHRNDGCNV-UHFFFAOYSA-N 1 0 304.419 1.493 10 0 DDAERO CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1S(=O)(=O)CCC(=O)OC ZINC000082009566 192353608 /nfs/dbraw/zinc/35/36/08/192353608.db2.gz CQNOYCYXBCNDTI-AGIUHOORSA-N 1 0 305.440 1.521 10 0 DDAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1cc(F)cc(F)c1 ZINC000090331541 185291412 /nfs/dbraw/zinc/29/14/12/185291412.db2.gz XYEJGYHESGTTDT-BIGNPOOSSA-N 1 0 316.373 1.583 10 0 DDAERO COc1ccccc1S(=O)(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000090336946 185291799 /nfs/dbraw/zinc/29/17/99/185291799.db2.gz UVDCSGRKKMDAFI-RYUDHWBXSA-N 1 0 310.419 1.314 10 0 DDAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cccc(Cl)c1N(C)C ZINC000090489042 185298883 /nfs/dbraw/zinc/29/88/83/185298883.db2.gz MSRJROYRJIMSOU-GXFFZTMASA-N 1 0 311.813 1.969 10 0 DDAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]1COC[C@H]1[NH3+] ZINC000090382100 185293441 /nfs/dbraw/zinc/29/34/41/185293441.db2.gz KXDHCGXXQOGHOZ-ZYHUDNBSSA-N 1 0 303.189 1.926 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)NCc1cccc(Br)c1 ZINC000090436750 185296208 /nfs/dbraw/zinc/29/62/08/185296208.db2.gz ODTOUGVZMMRMQH-NEPJUHHUSA-N 1 0 313.195 1.300 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000090438624 185296697 /nfs/dbraw/zinc/29/66/97/185296697.db2.gz POVWDDCDECTUAU-BBRMVZONSA-N 1 0 309.841 1.696 10 0 DDAERO COC(=O)c1ccc(Cl)cc1NC(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090585833 185305084 /nfs/dbraw/zinc/30/50/84/185305084.db2.gz ZVYLXIULEZPZNK-FZMZJTMJSA-N 1 0 312.753 1.429 10 0 DDAERO C[C@@]1(C(=O)Nc2ccc3c(c2)NC(=O)CS3)COC[C@H]1[NH3+] ZINC000090587942 185305291 /nfs/dbraw/zinc/30/52/91/185305291.db2.gz MZEYLWSPLRKFGQ-BXUZGUMPSA-N 1 0 307.375 1.033 10 0 DDAERO C[C@]1(C(=O)N2CCc3sccc3[C@@H]2C2CC2)COC[C@H]1[NH3+] ZINC000090591192 185305451 /nfs/dbraw/zinc/30/54/51/185305451.db2.gz MYNDMRCTBDZBCR-YCPHGPKFSA-N 1 0 306.431 1.948 10 0 DDAERO O=S(=O)(C1CC1)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000090701085 185310467 /nfs/dbraw/zinc/31/04/67/185310467.db2.gz VYXFCQICOHXONU-LBPRGKRZSA-N 1 0 304.481 1.382 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1nc(NN)ccc1Cl ZINC000092675335 185333247 /nfs/dbraw/zinc/33/32/47/185333247.db2.gz AQKOGAQBHMPZSS-JTQLQIEISA-N 1 0 311.817 1.577 10 0 DDAERO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(Cl)cc1N ZINC000092621904 185329678 /nfs/dbraw/zinc/32/96/78/185329678.db2.gz AEIFFULZWBKFTF-LLVKDONJSA-N 1 0 317.842 1.637 10 0 DDAERO O=C(Nc1cc(Cl)ccc1Cl)c1cn(C2C[NH2+]C2)nn1 ZINC000092700010 185333677 /nfs/dbraw/zinc/33/36/77/185333677.db2.gz NZWOFNPOXMLZKH-UHFFFAOYSA-N 1 0 312.160 1.982 10 0 DDAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@@H](S(=O)(=O)C1CCOCC1)C2 ZINC000092859305 185346876 /nfs/dbraw/zinc/34/68/76/185346876.db2.gz DBWGFOANEJOQTE-LSDHHAIUSA-N 1 0 311.403 1.214 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cn(Cc2cccnc2)nn1 ZINC000183076207 199532456 /nfs/dbraw/zinc/53/24/56/199532456.db2.gz LKGMLRAQPDVTIZ-WMLDXEAASA-N 1 0 312.421 1.390 10 0 DDAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000037016256 190664625 /nfs/dbraw/zinc/66/46/25/190664625.db2.gz PUEGJFPXSRISDW-KCJUWKMLSA-N 1 0 320.361 1.995 10 0 DDAERO COC[C@H](C)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000103433626 185451334 /nfs/dbraw/zinc/45/13/34/185451334.db2.gz KTYFTXNYYMORRB-ARFHVFGLSA-N 1 0 311.470 1.286 10 0 DDAERO Cn1cc(S(=O)(=O)N2CCC(C[NH2+]C(C)(C)C)CC2)cn1 ZINC000111719111 185630778 /nfs/dbraw/zinc/63/07/78/185630778.db2.gz AMYJFZMDBRJPSO-UHFFFAOYSA-N 1 0 314.455 1.209 10 0 DDAERO Cc1ccc(C[C@H](C)C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000181977196 199370146 /nfs/dbraw/zinc/37/01/46/199370146.db2.gz BBQGELDFFIVAGE-DOTOQJQBSA-N 1 0 304.434 1.963 10 0 DDAERO C[NH2+]CCN(C)S(=O)(=O)c1ccc2nc(Cl)ccc2c1 ZINC000070304834 190879276 /nfs/dbraw/zinc/87/92/76/190879276.db2.gz FCSBOQRIODVUAL-UHFFFAOYSA-N 1 0 313.810 1.728 10 0 DDAERO CC[C@@]1(C)C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)cc2)CCO1 ZINC000070343870 190881838 /nfs/dbraw/zinc/88/18/38/190881838.db2.gz LRQNXBKKQWVWIU-HIFRSBDPSA-N 1 0 312.435 1.771 10 0 DDAERO [NH3+]C[C@]1(N2CCN(c3ccc(Cl)cc3)CC2)CCCOC1 ZINC000070464987 190899992 /nfs/dbraw/zinc/89/99/92/190899992.db2.gz OEAOGTMCEQEYRP-MRXNPFEDSA-N 1 0 309.841 1.970 10 0 DDAERO Cc1nc2n(n1)CCC[C@H]2NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000083700808 192379980 /nfs/dbraw/zinc/37/99/80/192379980.db2.gz NECUFGDTRGCWIJ-CQSZACIVSA-N 1 0 320.441 1.453 10 0 DDAERO CC[NH2+][C@@H]1CCN(S(=O)(=O)c2c[nH]cn2)c2ccccc21 ZINC000071325071 190958085 /nfs/dbraw/zinc/95/80/85/190958085.db2.gz JDHWDABSSXARNC-GFCCVEGCSA-N 1 0 306.391 1.659 10 0 DDAERO Cn1c(C[NH3+])nnc1SCc1nc(N)c2ccccc2n1 ZINC000071373945 190962694 /nfs/dbraw/zinc/96/26/94/190962694.db2.gz NRBVZSLKKLEEPQ-UHFFFAOYSA-N 1 0 301.379 1.092 10 0 DDAERO CC[NH2+][C@H](C[S@@](=O)CCOC)c1ccc2c(c1)OCCO2 ZINC000084035418 192397007 /nfs/dbraw/zinc/39/70/07/192397007.db2.gz FIGAHFRDPZSKGX-LRTDBIEQSA-N 1 0 313.419 1.504 10 0 DDAERO C[NH2+]CCC(=O)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C)O2 ZINC000071664755 191002033 /nfs/dbraw/zinc/00/20/33/191002033.db2.gz WGTWGSHQAKVRKZ-JTQLQIEISA-N 1 0 312.391 1.026 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC000155710396 186105482 /nfs/dbraw/zinc/10/54/82/186105482.db2.gz ZUNWUWIMIDUCLR-DOMZBBRYSA-N 1 0 313.405 1.930 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(=O)n(C)c1 ZINC000173331634 186177331 /nfs/dbraw/zinc/17/73/31/186177331.db2.gz VBJGTSUWGMIKHJ-UONOGXRCSA-N 1 0 304.394 1.476 10 0 DDAERO COC(=O)c1ccc(F)c(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171889604 198001950 /nfs/dbraw/zinc/00/19/50/198001950.db2.gz GUWBGYCJCXAPAA-GFCCVEGCSA-N 1 0 321.352 1.924 10 0 DDAERO COCc1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171900736 198004380 /nfs/dbraw/zinc/00/43/80/198004380.db2.gz APFWIBGERZLGMV-MRXNPFEDSA-N 1 0 303.406 1.823 10 0 DDAERO COc1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000171901859 198004935 /nfs/dbraw/zinc/00/49/35/198004935.db2.gz KNCOLQJXCLQKCJ-CYBMUJFWSA-N 1 0 307.369 1.824 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1ccc(F)cc1 ZINC000172166106 198050457 /nfs/dbraw/zinc/05/04/57/198050457.db2.gz YXOMFDFWBOTNNM-IUODEOHRSA-N 1 0 319.380 1.251 10 0 DDAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000623766555 366045690 /nfs/dbraw/zinc/04/56/90/366045690.db2.gz IGJPYJFXDIYSFB-NWDGAFQWSA-N 1 0 304.159 1.828 10 0 DDAERO CCCc1nc(C)c(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)s1 ZINC000172305935 198075892 /nfs/dbraw/zinc/07/58/92/198075892.db2.gz YQCIIEWNALOCBR-LBPRGKRZSA-N 1 0 311.451 1.807 10 0 DDAERO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)NC(=O)Nc1ccccc1 ZINC000172801291 198151031 /nfs/dbraw/zinc/15/10/31/198151031.db2.gz YXOUMKJGCPLNIG-OAHLLOKOSA-N 1 0 316.405 1.505 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCOc2ccc(OC)cc2)C1 ZINC000052519258 352613171 /nfs/dbraw/zinc/61/31/71/352613171.db2.gz UWZBYPAZYTXCQO-AWEZNQCLSA-N 1 0 321.421 1.858 10 0 DDAERO C[C@@H](CNC(=O)[C@H](C)NC(=O)Nc1ccccc1)[N@H+](C)C1CC1 ZINC000057720211 352827169 /nfs/dbraw/zinc/82/71/69/352827169.db2.gz OYHKAWHGSLIHJT-STQMWFEESA-N 1 0 318.421 1.796 10 0 DDAERO O=C(C[N@H+]1CCC[C@H]1C[C@H](O)c1ccccc1)N1CCNC1=O ZINC000173963596 198273937 /nfs/dbraw/zinc/27/39/37/198273937.db2.gz DANUTQOGSZFILE-GJZGRUSLSA-N 1 0 317.389 1.126 10 0 DDAERO Cc1noc(-c2cccnc2NC[C@@H](O)C[NH+]2CCCCC2)n1 ZINC000174685670 198370550 /nfs/dbraw/zinc/37/05/50/198370550.db2.gz NKOWJACLGTWUQK-CYBMUJFWSA-N 1 0 317.393 1.699 10 0 DDAERO COc1cc(CCN2CC[NH2+]C[C@H]2C(F)(F)F)ccc1C#N ZINC000145148628 354156175 /nfs/dbraw/zinc/15/61/75/354156175.db2.gz CFAADJRDHYZYHJ-AWEZNQCLSA-N 1 0 313.323 1.945 10 0 DDAERO O[C@H](C[NH2+]CCNCc1ccccc1)COc1ccccc1 ZINC000146209683 354159397 /nfs/dbraw/zinc/15/93/97/354159397.db2.gz UPMONSURRUVNLD-QGZVFWFLSA-N 1 0 300.402 1.806 10 0 DDAERO Cc1cc(C(=O)N2CCO[C@@H](C[N@H+](C)CC3CC3)C2)nc(C)n1 ZINC000328655554 354559871 /nfs/dbraw/zinc/55/98/71/354559871.db2.gz YLKBKNKFYQLULC-HNNXBMFYSA-N 1 0 318.421 1.276 10 0 DDAERO CC(=O)N(C1CCC1)[C@@H]1CCC[N@H+](CCN2CCCC2=O)CC1 ZINC000328623268 354549688 /nfs/dbraw/zinc/54/96/88/354549688.db2.gz BUWYHSSMUISEII-QGZVFWFLSA-N 1 0 321.465 1.864 10 0 DDAERO CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCC[NH+](CC)CC ZINC000073416753 191314809 /nfs/dbraw/zinc/31/48/09/191314809.db2.gz UZEYBYSWKFMLLG-CQSZACIVSA-N 1 0 312.458 1.371 10 0 DDAERO CC[C@@H]1Oc2ccc(N)nc2N(Cc2ccc(C[NH3+])cc2)C1=O ZINC000075259234 191452106 /nfs/dbraw/zinc/45/21/06/191452106.db2.gz AFOQTQJWQWAELY-ZDUSSCGKSA-N 1 0 312.373 1.827 10 0 DDAERO CC1CC[NH+](CCCNC(=O)NC[C@@H]2CCCC[C@@H]2O)CC1 ZINC000077756362 191769934 /nfs/dbraw/zinc/76/99/34/191769934.db2.gz KKYVBBQZQQINLI-HOTGVXAUSA-N 1 0 311.470 1.959 10 0 DDAERO NC(=[NH2+])CCN(C1CC1)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000079800665 191974509 /nfs/dbraw/zinc/97/45/09/191974509.db2.gz GEDLUMFHAGRWAG-UHFFFAOYSA-N 1 0 303.334 1.444 10 0 DDAERO CCOC(=O)CC1([NH+]2CCCCC2)CCS(=O)(=O)CC1 ZINC000080706362 192183447 /nfs/dbraw/zinc/18/34/47/192183447.db2.gz BYBQTEFCGDINMT-UHFFFAOYSA-N 1 0 303.424 1.373 10 0 DDAERO CCCn1cc(Br)cc1C(=O)NC[C@@H]([NH3+])[C@@H](C)O ZINC000080697751 192183697 /nfs/dbraw/zinc/18/36/97/192183697.db2.gz YREDPLFNMWGRMC-PSASIEDQSA-N 1 0 318.215 1.099 10 0 DDAERO Cc1cc(Br)ccc1C(=O)NC[C@@H]([NH3+])[C@@H](C)O ZINC000080709041 192184111 /nfs/dbraw/zinc/18/41/11/192184111.db2.gz RUJODELWMINQFJ-LDYMZIIASA-N 1 0 301.184 1.195 10 0 DDAERO CC(C)[N@@H+]1CCO[C@@H](Cn2cc(Br)c(N)n2)C1 ZINC000080750322 192187455 /nfs/dbraw/zinc/18/74/55/192187455.db2.gz XPBQJPOMRKPLTE-SECBINFHSA-N 1 0 303.204 1.337 10 0 DDAERO C[C@H]1CCC[C@]([NH3+])(C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000080905142 192199707 /nfs/dbraw/zinc/19/97/07/192199707.db2.gz MXMNHQKFUWQDFO-IINYFYTJSA-N 1 0 311.407 1.180 10 0 DDAERO CC(C)CO[C@H]1C[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1(C)C ZINC000085400906 192501185 /nfs/dbraw/zinc/50/11/85/192501185.db2.gz NVOCWFYLACCFOP-IHRRRGAJSA-N 1 0 303.468 1.850 10 0 DDAERO C[NH2+][C@H](C)CCCCN1CCn2c(nnc2C(F)(F)F)C1 ZINC000081533519 192285389 /nfs/dbraw/zinc/28/53/89/192285389.db2.gz GUGZSZBFZXTUDO-SNVBAGLBSA-N 1 0 305.348 1.891 10 0 DDAERO Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000081579926 192295626 /nfs/dbraw/zinc/29/56/26/192295626.db2.gz QEJIPGGTPGMHNY-OAHLLOKOSA-N 1 0 313.405 1.913 10 0 DDAERO CCN(CC)S(=O)(=O)N1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000081767884 192321145 /nfs/dbraw/zinc/32/11/45/192321145.db2.gz NMEFHRBJSYTFCL-OAHLLOKOSA-N 1 0 317.499 1.817 10 0 DDAERO CCC1(CC)CN(CCCS(C)(=O)=O)[C@H](C2CC2)C[NH2+]1 ZINC000085519066 192514405 /nfs/dbraw/zinc/51/44/05/192514405.db2.gz INEVAPQMGPQZDR-AWEZNQCLSA-N 1 0 302.484 1.664 10 0 DDAERO C[C@H]1CC[NH2+][C@@H](Cc2ccccc2)CN1CCS(C)(=O)=O ZINC000085619003 192518941 /nfs/dbraw/zinc/51/89/41/192518941.db2.gz YGYVXLISSIPNSU-HOCLYGCPSA-N 1 0 310.463 1.326 10 0 DDAERO CC[C@@H]1CCCCN1S(=O)(=O)c1c(C)nn(CC[NH3+])c1C ZINC000088942441 192662536 /nfs/dbraw/zinc/66/25/36/192662536.db2.gz KVZSGRFNSAQZHQ-CYBMUJFWSA-N 1 0 314.455 1.412 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNc1cc(N2CCC[C@@H]2CO)ncn1 ZINC000178338796 198851687 /nfs/dbraw/zinc/85/16/87/198851687.db2.gz HUSKSWLORIJKRD-UONOGXRCSA-N 1 0 307.442 1.580 10 0 DDAERO CC1(C)COCCN1S(=O)(=O)c1ccc(F)c(C[NH3+])c1F ZINC000088992314 192685233 /nfs/dbraw/zinc/68/52/33/192685233.db2.gz RQPDIZFDMFYWIN-UHFFFAOYSA-N 1 0 320.361 1.223 10 0 DDAERO Cc1[nH]nc(S(=O)(=O)N2CC[C@@H](C)C2)c1C[NH2+]C(C)C ZINC000088987048 192683210 /nfs/dbraw/zinc/68/32/10/192683210.db2.gz HBXIPTXWYDTLNT-SNVBAGLBSA-N 1 0 300.428 1.247 10 0 DDAERO CC[NH2+]Cc1sccc1S(=O)(=O)N1CCCSCC1 ZINC000088988490 192683394 /nfs/dbraw/zinc/68/33/94/192683394.db2.gz AXYHEXHGADLZSJ-UHFFFAOYSA-N 1 0 320.505 1.985 10 0 DDAERO O=C(c1cccc(OCC(F)F)n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179451235 199038467 /nfs/dbraw/zinc/03/84/67/199038467.db2.gz YEXZWUDNKJVGNH-NSHDSACASA-N 1 0 311.332 1.646 10 0 DDAERO CCC[NH2+]CCCN(C)S(=O)(=O)N(CC(C)C)C(C)C ZINC000089005481 192691685 /nfs/dbraw/zinc/69/16/85/192691685.db2.gz GBSOSFUKNXTGPY-UHFFFAOYSA-N 1 0 307.504 1.919 10 0 DDAERO CCOC(=O)c1ccc(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)o1 ZINC000180235411 199134005 /nfs/dbraw/zinc/13/40/05/199134005.db2.gz HRKBAUJOBAEKBP-UKRRQHHQSA-N 1 0 322.405 1.609 10 0 DDAERO C[NH2+]CC1CCN(C(=O)[C@@H](NC(=O)CC(C)C)C(C)C)CC1 ZINC000237314220 202228247 /nfs/dbraw/zinc/22/82/47/202228247.db2.gz WXUUJGJWKSWUQX-INIZCTEOSA-N 1 0 311.470 1.631 10 0 DDAERO CO[C@]1(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CCOC1 ZINC000276650704 213024470 /nfs/dbraw/zinc/02/44/70/213024470.db2.gz QQNMXZWHJGUVCE-RHSMWYFYSA-N 1 0 306.406 1.429 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cncc(C(=O)OC)c1 ZINC000180551505 199174920 /nfs/dbraw/zinc/17/49/20/199174920.db2.gz WTNCAZUHMCMEIB-CQSZACIVSA-N 1 0 320.393 1.816 10 0 DDAERO CCOCCNC(=O)C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000180873541 199222153 /nfs/dbraw/zinc/22/21/53/199222153.db2.gz YGPPPKJFEZIAJX-LBPRGKRZSA-N 1 0 310.394 1.507 10 0 DDAERO CS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089453394 192793257 /nfs/dbraw/zinc/79/32/57/192793257.db2.gz BGDGYXLYVFWPPX-GXFFZTMASA-N 1 0 311.407 1.372 10 0 DDAERO Cc1nn(C)c(C[NH2+]C[C@@H]2CCC[C@@H]2CO)c1Br ZINC000089498755 192802881 /nfs/dbraw/zinc/80/28/81/192802881.db2.gz QMUQCEWZRPPRGK-WDEREUQCSA-N 1 0 316.243 1.989 10 0 DDAERO Cc1csc(=O)n1CC[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188072424 200189575 /nfs/dbraw/zinc/18/95/75/200189575.db2.gz BBRCJXXGNKSCBF-KBPBESRZSA-N 1 0 324.471 1.988 10 0 DDAERO C[C@H](CC(=O)NCC(=O)Nc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000237603342 202300271 /nfs/dbraw/zinc/30/02/71/202300271.db2.gz OCGVEQYOZYLPQK-GFCCVEGCSA-N 1 0 321.396 1.906 10 0 DDAERO Cc1c(NC(=O)[C@H]2CCC[C@H]2[NH3+])c(=O)n(-c2ccccc2)n1C ZINC000237824944 202364284 /nfs/dbraw/zinc/36/42/84/202364284.db2.gz AZYXSZOKCDDORP-UONOGXRCSA-N 1 0 314.389 1.550 10 0 DDAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCC2(c3ccccc3)CCOCC2)C1 ZINC000237939158 202398496 /nfs/dbraw/zinc/39/84/96/202398496.db2.gz FSOCEJILIOOYJF-GDBMZVCRSA-N 1 0 302.418 1.978 10 0 DDAERO O=C(Nc1cccc(S(=O)(=O)C(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000237925617 202392940 /nfs/dbraw/zinc/39/29/40/202392940.db2.gz FDEOUZJTJXXHDV-QMMMGPOBSA-N 1 0 304.318 1.231 10 0 DDAERO C[C@@H](NC(=O)CC[C@H](C)[NH3+])c1ccc(S(C)(=O)=O)c(F)c1 ZINC000193267850 201017070 /nfs/dbraw/zinc/01/70/70/201017070.db2.gz FLFNKTMSSNMZTK-VHSXEESVSA-N 1 0 316.398 1.534 10 0 DDAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)N(CCOC)Cc1cccs1 ZINC000090489976 192923940 /nfs/dbraw/zinc/92/39/40/192923940.db2.gz DRLHHTAHYMJSBM-ZIAGYGMSSA-N 1 0 312.435 1.348 10 0 DDAERO CCC[NH2+]Cc1cccc(S[C@@H]2CS(=O)(=O)C[C@@H]2O)c1 ZINC000090871483 192940366 /nfs/dbraw/zinc/94/03/66/192940366.db2.gz CWUNCJMUHXGDLJ-UONOGXRCSA-N 1 0 315.460 1.436 10 0 DDAERO [NH3+]Cc1cncc(N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000091418697 193053434 /nfs/dbraw/zinc/05/34/34/193053434.db2.gz MFNMQTSFGTXQCM-UHFFFAOYSA-N 1 0 303.797 1.915 10 0 DDAERO CC[NH2+][C@@H](CCCS(=O)(=O)CC)C(C)(C)N1CCOCC1 ZINC000091566796 193073841 /nfs/dbraw/zinc/07/38/41/193073841.db2.gz LHUBBFCTJAIPLR-AWEZNQCLSA-N 1 0 320.499 1.290 10 0 DDAERO CCc1nn(CC)c(C[C@@H](O)C[NH2+]C2CC2)c1Br ZINC000091470175 193060046 /nfs/dbraw/zinc/06/00/46/193060046.db2.gz IBEOCHXEKGPDTG-SNVBAGLBSA-N 1 0 316.243 1.883 10 0 DDAERO CC[NH2+]C[C@@H](O)Cc1c(Br)c(CC)nn1CC ZINC000091470522 193060048 /nfs/dbraw/zinc/06/00/48/193060048.db2.gz ZAEPPPCDTZWBIO-VIFPVBQESA-N 1 0 304.232 1.741 10 0 DDAERO COCC[NH2+]C[C@@H](O)Cc1ccc(F)c(Br)c1 ZINC000091467881 193060124 /nfs/dbraw/zinc/06/01/24/193060124.db2.gz ROQVWHLCNFQJTI-JTQLQIEISA-N 1 0 306.175 1.728 10 0 DDAERO CCC[NH2+]C[C@H](O)Cc1c(Br)c(CC)nn1C ZINC000091469785 193060342 /nfs/dbraw/zinc/06/03/42/193060342.db2.gz VLPVMVNFAZQDPT-SECBINFHSA-N 1 0 304.232 1.648 10 0 DDAERO C[NH2+][C@@H](Cc1cccc(Br)c1)[C@@H]1CN(C)CCO1 ZINC000091717794 193097277 /nfs/dbraw/zinc/09/72/77/193097277.db2.gz CELLEIPFXCNQGO-KBPBESRZSA-N 1 0 313.239 1.910 10 0 DDAERO O=C1N(Cc2ccc(Br)cc2)C[C@H]2C[NH2+]CCN12 ZINC000091751047 193102151 /nfs/dbraw/zinc/10/21/51/193102151.db2.gz XUNKFNWFPUKQRZ-GFCCVEGCSA-N 1 0 310.195 1.659 10 0 DDAERO COC(=O)[C@@H]1CCC[C@H](C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000245452368 291387927 /nfs/dbraw/zinc/38/79/27/291387927.db2.gz DJYJELVCCXWCOT-BYNSBNAKSA-N 1 0 308.422 1.661 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N(CCOC)C2CC2)c(F)c1 ZINC000092115925 193164502 /nfs/dbraw/zinc/16/45/02/193164502.db2.gz XXBDPZITSVLDAC-UHFFFAOYSA-N 1 0 316.398 1.345 10 0 DDAERO Cc1c(F)cccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261897994 203147658 /nfs/dbraw/zinc/14/76/58/203147658.db2.gz HINSDVGKZQPMOQ-OLZOCXBDSA-N 1 0 302.353 1.809 10 0 DDAERO Cc1cccc(CN(C)C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)c1 ZINC000261992545 203168973 /nfs/dbraw/zinc/16/89/73/203168973.db2.gz SWKXRQDTDIIACN-SJORKVTESA-N 1 0 312.417 1.690 10 0 DDAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCc2cc(F)ccc2F)cn1 ZINC000261920825 203151632 /nfs/dbraw/zinc/15/16/32/203151632.db2.gz KIXPJGDUTZZLLC-KGLIPLIRSA-N 1 0 320.343 1.318 10 0 DDAERO COCC[NH2+]C[C@@H](c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000093148049 193207800 /nfs/dbraw/zinc/20/78/00/193207800.db2.gz CTCXRFNFYALXND-ZFWWWQNUSA-N 1 0 315.410 1.580 10 0 DDAERO C[C@H]([NH3+])Cc1nc(O)c(-c2cccc(Br)c2)c(=O)[nH]1 ZINC000093163878 193209647 /nfs/dbraw/zinc/20/96/47/193209647.db2.gz ASDJZYVRYGGKCO-ZETCQYMHSA-N 1 0 324.178 1.795 10 0 DDAERO COCCN1C(=[NH2+])NC[C@H]1c1cc(Cl)c2c(c1)OCCO2 ZINC000093380412 193240601 /nfs/dbraw/zinc/24/06/01/193240601.db2.gz UGEUEYIHAIOOTA-NSHDSACASA-N 1 0 311.769 1.429 10 0 DDAERO CCc1nn(C)c(C[C@@H]([NH2+]C)C(OC)OC)c1Br ZINC000093304972 193228269 /nfs/dbraw/zinc/22/82/69/193228269.db2.gz FYQXHDWIPRHMKQ-SECBINFHSA-N 1 0 320.231 1.494 10 0 DDAERO CCc1nn(CC)c(C[C@H]([NH3+])C(OC)OC)c1Br ZINC000093304771 193227093 /nfs/dbraw/zinc/22/70/93/193227093.db2.gz SYCDVAKDEKXFBP-QMMMGPOBSA-N 1 0 320.231 1.717 10 0 DDAERO CNS(=O)(=O)c1cc(N[C@H](C)C[C@@H]2CCC[NH2+]2)ccc1C ZINC000093464002 193256037 /nfs/dbraw/zinc/25/60/37/193256037.db2.gz SQRNWAACRBQVHH-OLZOCXBDSA-N 1 0 311.451 1.846 10 0 DDAERO C[C@@]1(c2ccc(S(C)(=O)=O)cc2)CNC(=[NH2+])N1CC1CC1 ZINC000093393759 193243826 /nfs/dbraw/zinc/24/38/26/193243826.db2.gz ZVSKNBBNFJGEHI-HNNXBMFYSA-N 1 0 307.419 1.346 10 0 DDAERO CC(C)(CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)S(C)(=O)=O ZINC000093525591 193264301 /nfs/dbraw/zinc/26/43/01/193264301.db2.gz MVYQJLCCVZDJOG-AVGNSLFASA-N 1 0 316.467 1.237 10 0 DDAERO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc(F)c(F)cc1F ZINC000262726451 203394402 /nfs/dbraw/zinc/39/44/02/203394402.db2.gz ASGFUCVYRYMOPS-PRHODGIISA-N 1 0 322.352 1.994 10 0 DDAERO CCCOCCOCC[C@H]1CCC[C@]1([NH2+]C(C)C)C(N)=O ZINC000093625908 193276020 /nfs/dbraw/zinc/27/60/20/193276020.db2.gz WCUGIEABWCCXGI-GDBMZVCRSA-N 1 0 300.443 1.842 10 0 DDAERO CCC[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)CN ZINC000093695985 193291738 /nfs/dbraw/zinc/29/17/38/193291738.db2.gz XEFCQEOMSGNYDB-ZDUSSCGKSA-N 1 0 305.488 1.107 10 0 DDAERO C[NH2+][C@H](Cc1ccccc1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093699888 193294104 /nfs/dbraw/zinc/29/41/04/193294104.db2.gz AEQUHMJRWUGRCJ-JKSUJKDBSA-N 1 0 310.463 1.879 10 0 DDAERO CCC[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C(OC)OC ZINC000093700836 193294916 /nfs/dbraw/zinc/29/49/16/193294916.db2.gz RWKQFAMIDAKNRC-QWHCGFSZSA-N 1 0 322.471 1.035 10 0 DDAERO CC(C)C[NH2+]C[C@@H]1CCCN(S(=O)(=O)CCOC(C)C)C1 ZINC000093667739 193287274 /nfs/dbraw/zinc/28/72/74/193287274.db2.gz JLXDKGDGTYAUAP-HNNXBMFYSA-N 1 0 320.499 1.699 10 0 DDAERO CC(C)OCCS(=O)(=O)N(CCC(N)=[NH2+])c1ccccc1 ZINC000093667866 193287614 /nfs/dbraw/zinc/28/76/14/193287614.db2.gz PNPTULWQSULJNT-UHFFFAOYSA-N 1 0 313.423 1.574 10 0 DDAERO NC(=O)[C@@]1([NH2+]C2CC2)CC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000093833460 193314908 /nfs/dbraw/zinc/31/49/08/193314908.db2.gz KXJAGVYVADXMEZ-JOYOIKCWSA-N 1 0 302.300 1.603 10 0 DDAERO NC(=O)[C@@]1([NH3+])CC[C@H](Sc2ccc(C(F)(F)F)cn2)C1 ZINC000093850362 193317679 /nfs/dbraw/zinc/31/76/79/193317679.db2.gz YHGKWWSNSYPOPU-GZMMTYOYSA-N 1 0 305.325 1.928 10 0 DDAERO OC[C@]1([NH2+]C2CC2)CC[C@H](n2cc(Br)cn2)C1 ZINC000093857934 193319407 /nfs/dbraw/zinc/31/94/07/193319407.db2.gz FNSYIYXDGSEVSH-RYUDHWBXSA-N 1 0 300.200 1.854 10 0 DDAERO CC(C)[NH2+][C@]1(CO)CC[C@H](Sc2nnc(N(C)C)s2)C1 ZINC000093859803 193320425 /nfs/dbraw/zinc/32/04/25/193320425.db2.gz RPRKPIMXFLENBH-GXFFZTMASA-N 1 0 316.496 1.978 10 0 DDAERO CC(C)N(CC1CC[NH2+]CC1)C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000094023088 193339071 /nfs/dbraw/zinc/33/90/71/193339071.db2.gz JCUJOVBFAPPSCN-CQSZACIVSA-N 1 0 316.467 1.048 10 0 DDAERO CCN(CC(=O)N1CCc2sccc2C1)CC(C)(C)C[NH3+] ZINC000093891161 193324163 /nfs/dbraw/zinc/32/41/63/193324163.db2.gz KBUJBCLEPYQIRD-UHFFFAOYSA-N 1 0 309.479 1.940 10 0 DDAERO COc1ccc([C@@H]([C@H](C)[NH3+])N(C)CCS(C)(=O)=O)cc1 ZINC000094297399 193356525 /nfs/dbraw/zinc/35/65/25/193356525.db2.gz DNKJARJJXCZKSO-SMDDNHRTSA-N 1 0 300.424 1.060 10 0 DDAERO CC1(C)CC[C@@H](S(=O)(=O)c2ccc3c(c2)OCCO3)[C@@H]1[NH3+] ZINC000094311226 193358275 /nfs/dbraw/zinc/35/82/75/193358275.db2.gz 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C[C@@H]1C[C@H]([NH3+])CN(c2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000094553620 193379387 /nfs/dbraw/zinc/37/93/87/193379387.db2.gz VGHGKDAZJGDZDJ-NEPJUHHUSA-N 1 0 309.435 1.301 10 0 DDAERO C[N@@H+]1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NN)C1 ZINC000094596576 193382348 /nfs/dbraw/zinc/38/23/48/193382348.db2.gz WLHNCDGAOGOADR-VIFPVBQESA-N 1 0 302.300 1.425 10 0 DDAERO C[C@@H]1CCN(c2nc3ccc(Br)cn3n2)C[C@@H]1[NH3+] ZINC000094608342 193384523 /nfs/dbraw/zinc/38/45/23/193384523.db2.gz CXHJPICSJFNAND-SCZZXKLOSA-N 1 0 310.199 1.665 10 0 DDAERO C[C@H]1CN(c2nc3c(Br)cccn3n2)C[C@H](C)[NH2+]1 ZINC000094608262 193384642 /nfs/dbraw/zinc/38/46/42/193384642.db2.gz ANWHDLPYORAVOP-IUCAKERBSA-N 1 0 310.199 1.678 10 0 DDAERO CCOc1ccc(S(=O)(=O)[C@H](C[NH3+])c2cccnc2)cc1 ZINC000011847662 181710097 /nfs/dbraw/zinc/71/00/97/181710097.db2.gz ZUDJWTFKDXPIGK-OAHLLOKOSA-N 1 0 306.387 1.954 10 0 DDAERO O=C(C1CCC1)N1CCC(c2ncc3c(n2)CC[NH2+]C3)CC1 ZINC000019292403 182113848 /nfs/dbraw/zinc/11/38/48/182113848.db2.gz 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/nfs/dbraw/zinc/84/45/96/182844596.db2.gz MBJUBIZGCKSZGR-SSDOTTSWSA-N 1 0 317.183 1.430 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC2(CO)CC3(CCC3)C2)C1 ZINC000333186689 248943036 /nfs/dbraw/zinc/94/30/36/248943036.db2.gz UMAOFOFLKRMJOW-HUUCEWRRSA-N 1 0 323.481 1.957 10 0 DDAERO C[C@@H]1C[C@H](NC(=O)c2ncoc2[C@H]2CCCO2)C[N@@H+]1C1CC1 ZINC000333033922 248912170 /nfs/dbraw/zinc/91/21/70/248912170.db2.gz IBDMNQLSVNEBJM-NTZNESFSSA-N 1 0 305.378 1.881 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c(C)ccc(N)c2C)C1 ZINC000040501921 183083442 /nfs/dbraw/zinc/08/34/42/183083442.db2.gz VOQCVJPBCGRCIP-CYBMUJFWSA-N 1 0 311.451 1.648 10 0 DDAERO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(C)c(C)c(N)c2)C1 ZINC000040501840 183083599 /nfs/dbraw/zinc/08/35/99/183083599.db2.gz HGTKEJDRJMBROP-ZDUSSCGKSA-N 1 0 311.451 1.648 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(OC)cc2N)C1 ZINC000040501848 183083614 /nfs/dbraw/zinc/08/36/14/183083614.db2.gz OIBYTCINOMOHQV-LLVKDONJSA-N 1 0 313.423 1.040 10 0 DDAERO O=C([C@@H]1CCCN1Cc1ccc(Cl)nc1)N1CC[NH2+]CC1 ZINC000040508444 183085900 /nfs/dbraw/zinc/08/59/00/183085900.db2.gz YJDCTYHJRRUOEN-ZDUSSCGKSA-N 1 0 308.813 1.131 10 0 DDAERO Cc1n[nH]cc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000040808967 183136681 /nfs/dbraw/zinc/13/66/81/183136681.db2.gz HJOSTVWTDNLHHH-UHFFFAOYSA-N 1 0 300.428 1.306 10 0 DDAERO [NH3+][C@@H]1CCCN(CC(=O)Nc2cccc(Br)c2)C1 ZINC000041028820 183157798 /nfs/dbraw/zinc/15/77/98/183157798.db2.gz LGFSGLDBYKOGQW-LLVKDONJSA-N 1 0 312.211 1.811 10 0 DDAERO COC(=O)COC[C@@H]([NH3+])c1cc(OC)c(OC)cc1Cl ZINC000041072134 183163247 /nfs/dbraw/zinc/16/32/47/183163247.db2.gz XAWVEXJSLOCOLA-SNVBAGLBSA-N 1 0 303.742 1.547 10 0 DDAERO CC(=O)NCCC(=O)N[C@H](C)C[N@H+](Cc1ccccc1)C(C)C ZINC000041310792 183185276 /nfs/dbraw/zinc/18/52/76/183185276.db2.gz GHLZFSREIVSSSN-OAHLLOKOSA-N 1 0 319.449 1.928 10 0 DDAERO COc1cccc(-n2nc(C(=O)NCCC[NH+](C)C)cc2C)c1 ZINC000041455493 183192741 /nfs/dbraw/zinc/19/27/41/183192741.db2.gz NDBBZNSQAJSSEX-UHFFFAOYSA-N 1 0 316.405 1.871 10 0 DDAERO CN(CC(=O)NCCCC[NH+](C)C)c1ncnc2ccccc21 ZINC000041499077 183194321 /nfs/dbraw/zinc/19/43/21/183194321.db2.gz QCKKOQIWXDEADC-UHFFFAOYSA-N 1 0 315.421 1.524 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000041926175 183225968 /nfs/dbraw/zinc/22/59/68/183225968.db2.gz RKXGYNBTCGUPSC-GJZGRUSLSA-N 1 0 317.433 1.886 10 0 DDAERO CCCO[C@@H]1CCCN(S(=O)(=O)CC[C@@H]2CCCC[NH2+]2)C1 ZINC000042425252 183268839 /nfs/dbraw/zinc/26/88/39/183268839.db2.gz KYDVPWDGPRDJJX-LSDHHAIUSA-N 1 0 318.483 1.739 10 0 DDAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000337152169 249366311 /nfs/dbraw/zinc/36/63/11/249366311.db2.gz MDOGRBPKYVMJSR-SOUVJXGZSA-N 1 0 307.438 1.234 10 0 DDAERO O=S(=O)(CC[C@@H]1CCCC[NH2+]1)N(CCO)C1CCCC1 ZINC000042526443 183280169 /nfs/dbraw/zinc/28/01/69/183280169.db2.gz JYNUWPXOPOYKAB-ZDUSSCGKSA-N 1 0 304.456 1.085 10 0 DDAERO CC(C)N(CCCO)S(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000042526549 183280498 /nfs/dbraw/zinc/28/04/98/183280498.db2.gz JBHQMXKNERHDEI-GFCCVEGCSA-N 1 0 300.424 1.488 10 0 DDAERO CN(Cc1cccc(Cl)c1)C1(C[NH3+])CCS(=O)(=O)CC1 ZINC000042332407 183255398 /nfs/dbraw/zinc/25/53/98/183255398.db2.gz VPCVUOOUNVRYKR-UHFFFAOYSA-N 1 0 316.854 1.678 10 0 DDAERO CCC(CC)N(CCOC)S(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000042689766 183296024 /nfs/dbraw/zinc/29/60/24/183296024.db2.gz AMBVJOXAZQQHPJ-CYBMUJFWSA-N 1 0 306.472 1.595 10 0 DDAERO CCC(CC)N(CCOC)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000042681645 183296317 /nfs/dbraw/zinc/29/63/17/183296317.db2.gz TYDCJCYLTMOPIN-AWEZNQCLSA-N 1 0 320.499 1.985 10 0 DDAERO COCCN([C@H](C)C1CC1)S(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000042689793 183296459 /nfs/dbraw/zinc/29/64/59/183296459.db2.gz WLWGFWWUJKJKQG-CHWSQXEVSA-N 1 0 304.456 1.063 10 0 DDAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCS(=O)(=O)CC1 ZINC000042945300 183320180 /nfs/dbraw/zinc/32/01/80/183320180.db2.gz VFRZZQCSTNUAGN-KBPBESRZSA-N 1 0 316.854 1.849 10 0 DDAERO COc1cccc([C@H]([C@H](C)[NH3+])N(C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000043027209 183331529 /nfs/dbraw/zinc/33/15/29/183331529.db2.gz CNXWLWOEQOIDQG-LNSITVRQSA-N 1 0 312.435 1.202 10 0 DDAERO NC(=O)CC1CCN([C@H](C[NH3+])c2ccc(Cl)s2)CC1 ZINC000043253793 183348376 /nfs/dbraw/zinc/34/83/76/183348376.db2.gz NQROQIPCQLTIEY-SNVBAGLBSA-N 1 0 301.843 1.989 10 0 DDAERO CC[NH2+][C@H](c1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000043301027 183352246 /nfs/dbraw/zinc/35/22/46/183352246.db2.gz ADUAFKAAIJGMAG-IUODEOHRSA-N 1 0 311.403 1.543 10 0 DDAERO CC(C)[NH2+]Cc1ccc(O[C@H](C)C(=O)NC(N)=O)c(Cl)c1 ZINC000043479688 183365554 /nfs/dbraw/zinc/36/55/54/183365554.db2.gz MZYDPICQZIMOLM-SECBINFHSA-N 1 0 313.785 1.800 10 0 DDAERO CC[NH+]1CCC(N(C)C(=O)c2cccc3c2OCC(=O)N3)CC1 ZINC000105318187 194096587 /nfs/dbraw/zinc/09/65/87/194096587.db2.gz KIJGECSIMASVBU-UHFFFAOYSA-N 1 0 317.389 1.574 10 0 DDAERO CC[C@@H]1CN(Cc2nccn2C(F)F)CC[N@@H+]1C[C@@H](C)O ZINC000105826542 194137817 /nfs/dbraw/zinc/13/78/17/194137817.db2.gz 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BMVTYPRIORCKCO-QWHCGFSZSA-N 1 0 313.405 1.284 10 0 DDAERO CCCC[NH2+]CC(=O)Nc1ccc(C(=O)NCCCOC)cc1 ZINC000066213925 184397178 /nfs/dbraw/zinc/39/71/78/184397178.db2.gz VWFCERNGNFINSD-UHFFFAOYSA-N 1 0 321.421 1.781 10 0 DDAERO C[NH2+][C@](Cn1nc(C)c(Br)c1C)(C(N)=O)C1CC1 ZINC000069193817 184503866 /nfs/dbraw/zinc/50/38/66/184503866.db2.gz HTAPQRUTJJUQJY-LBPRGKRZSA-N 1 0 315.215 1.116 10 0 DDAERO C[C@H]1CCCN(S(=O)(=O)N2CCC(C[NH2+]C3CC3)CC2)C1 ZINC000113667778 194607950 /nfs/dbraw/zinc/60/79/50/194607950.db2.gz KNADYNAHIRXXGP-ZDUSSCGKSA-N 1 0 315.483 1.427 10 0 DDAERO CC[NH2+]C[C@H]1CCCN(S(=O)(=O)N2CCCC[C@@H]2C)C1 ZINC000113668008 194608462 /nfs/dbraw/zinc/60/84/62/194608462.db2.gz UOIAZAOXVGBLNJ-UONOGXRCSA-N 1 0 303.472 1.427 10 0 DDAERO COCC[N@@H+]1CCN([C@@H](C(=O)OC)c2ccccc2C)C[C@H]1C ZINC000162937850 285050658 /nfs/dbraw/zinc/05/06/58/285050658.db2.gz REBHYLOSOPKTGO-NVXWUHKLSA-N 1 0 320.433 1.862 10 0 DDAERO COCC[N@@H+]1CCN([C@H](C(=O)OC)c2ccccc2)C[C@H]1C ZINC000117880012 285051524 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CO[C@H]1C[C@@H](C(=O)Nc2c[nH]nc2-c2ccccc2)N(C)C1 ZINC000345762973 272328832 /nfs/dbraw/zinc/32/88/32/272328832.db2.gz RPDSYNOGLFQMEH-JSGCOSHPSA-N 1 0 300.362 1.734 10 0 DDAERO COc1nc(N2C[C@H](C)[NH2+]C[C@@H]2C)ncc1Br ZINC000235029220 274168701 /nfs/dbraw/zinc/16/87/01/274168701.db2.gz IZMAVGGGLCZZCW-YUMQZZPRSA-N 1 0 301.188 1.434 10 0 DDAERO Cn1cc(Br)cc1C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000261732843 274890421 /nfs/dbraw/zinc/89/04/21/274890421.db2.gz OLPAXWUWKRCZAD-LLVKDONJSA-N 1 0 314.227 1.906 10 0 DDAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@H]2CCCc3ccccc32)cn1 ZINC000261966139 274894581 /nfs/dbraw/zinc/89/45/81/274894581.db2.gz QBLPMGLCPMQMPQ-SQNIBIBYSA-N 1 0 324.428 1.917 10 0 DDAERO O=C1Nc2ccccc2CC[C@@H]1[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000192043003 275025421 /nfs/dbraw/zinc/02/54/21/275025421.db2.gz AZQJZRMZPXZFHX-RDJZCZTQSA-N 1 0 315.417 1.346 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccccc1-n1ccnn1 ZINC000182982925 276181844 /nfs/dbraw/zinc/18/18/44/276181844.db2.gz ICPGCGHFNXVJDC-AWEZNQCLSA-N 1 0 313.405 1.824 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)CCn1cnc2ccccc2c1=O ZINC000177714961 276182670 /nfs/dbraw/zinc/18/26/70/276182670.db2.gz YRKWIBVXBUEBNG-HNNXBMFYSA-N 1 0 314.433 1.813 10 0 DDAERO CCOc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000113305516 276375770 /nfs/dbraw/zinc/37/57/70/276375770.db2.gz SHDCUOJXMPTXFZ-KBPBESRZSA-N 1 0 324.446 1.943 10 0 DDAERO CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000263031642 277334251 /nfs/dbraw/zinc/33/42/51/277334251.db2.gz RXVOFSNMHMUBHH-KEYYUXOJSA-N 1 0 309.454 1.657 10 0 DDAERO CO[C@H]1CCN(C(=O)c2cc3ccccc3oc2=O)[C@@H](C[NH3+])C1 ZINC000261854605 277741880 /nfs/dbraw/zinc/74/18/80/277741880.db2.gz JUQZQUFYJDKIEO-OLZOCXBDSA-N 1 0 316.357 1.371 10 0 DDAERO COc1nc(N2CC[C@@H]([NH3+])C(C)(C)C2)ncc1Br ZINC000261579687 278084896 /nfs/dbraw/zinc/08/48/96/278084896.db2.gz PPUDIZLMLWPSIJ-SECBINFHSA-N 1 0 315.215 1.811 10 0 DDAERO COc1nc(N2CC[C@H]([C@@H](C)[NH3+])C2)ncc1Br ZINC000235027918 278084924 /nfs/dbraw/zinc/08/49/24/278084924.db2.gz BMBHDRJISCEAFB-SFYZADRCSA-N 1 0 301.188 1.421 10 0 DDAERO CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)CC1 ZINC000173416151 279479101 /nfs/dbraw/zinc/47/91/01/279479101.db2.gz ZOGYXJAYFTWBCN-WBVHZDCISA-N 1 0 323.481 1.286 10 0 DDAERO C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)CC(C)(C)C1 ZINC000183138372 279940118 /nfs/dbraw/zinc/94/01/18/279940118.db2.gz ZJRZGBPREAQREM-LSDHHAIUSA-N 1 0 323.481 1.681 10 0 DDAERO O=S(=O)(c1ccccc1N1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(F)F ZINC000261688804 280341275 /nfs/dbraw/zinc/34/12/75/280341275.db2.gz NENKZPMTCGXXBT-GHMZBOCLSA-N 1 0 316.373 1.729 10 0 DDAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262353133 280410876 /nfs/dbraw/zinc/41/08/76/280410876.db2.gz UOAVKOFFJJUMGR-YIDVYQOGSA-N 1 0 312.454 1.160 10 0 DDAERO C[C@@H](NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C)CCO1)c1ccccc1 ZINC000105933230 281051401 /nfs/dbraw/zinc/05/14/01/281051401.db2.gz OIJFLWOXEBDTJN-IJEWVQPXSA-N 1 0 305.422 1.173 10 0 DDAERO Cc1cccc2[nH]c(CC[NH2+][C@H](C)CN3CCOCC3)nc21 ZINC000067872430 281263591 /nfs/dbraw/zinc/26/35/91/281263591.db2.gz SUZCGYKXCMDUFJ-CQSZACIVSA-N 1 0 302.422 1.724 10 0 DDAERO C[C@H]1Cc2cc(S(=O)(=O)N3CC[N@@H+]4CCC[C@H]4C3)ccc2O1 ZINC000247558183 282059844 /nfs/dbraw/zinc/05/98/44/282059844.db2.gz RFYMAXAYESFMKU-JSGCOSHPSA-N 1 0 322.430 1.479 10 0 DDAERO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000245447124 289340231 /nfs/dbraw/zinc/34/02/31/289340231.db2.gz LVJBVYFBLIPQNJ-XBFCOCLRSA-N 1 0 305.378 1.158 10 0 DDAERO C[C@H](C(=O)N1CCOC[C@@H]1C[C@H](O)c1cccs1)C1C[NH2+]C1 ZINC000262302767 298059421 /nfs/dbraw/zinc/05/94/21/298059421.db2.gz BTGAWFHTDNAZBF-UBHSHLNASA-N 1 0 324.446 1.255 10 0 DDAERO CSc1ccc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170873667 298223412 /nfs/dbraw/zinc/22/34/12/298223412.db2.gz HAPHVUNGQJGSBV-NSHDSACASA-N 1 0 300.449 1.733 10 0 DDAERO COCCOc1ccccc1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000171081774 298227702 /nfs/dbraw/zinc/22/77/02/298227702.db2.gz MIIKBXMGLNPYRC-ZDUSSCGKSA-N 1 0 307.394 1.880 10 0 DDAERO Cc1ccc(C)n1-c1c(C(=O)N2CC[C@H]([NH+](C)C)C2)cnn1C ZINC000170855694 301562262 /nfs/dbraw/zinc/56/22/62/301562262.db2.gz QTHRGJHAYGAOFD-AWEZNQCLSA-N 1 0 315.421 1.604 10 0 DDAERO C[C@H]([NH2+]CCn1cncn1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400489582 302369906 /nfs/dbraw/zinc/36/99/06/302369906.db2.gz YSVAPVSHCPPXPA-QWHCGFSZSA-N 1 0 309.414 1.656 10 0 DDAERO CC(C)(C(=O)N(Cc1ccccc1)C1CC1)N1CC[NH2+]CC1 ZINC000390796249 307294006 /nfs/dbraw/zinc/29/40/06/307294006.db2.gz RQWDVSLGFRTQTB-UHFFFAOYSA-N 1 0 301.434 1.861 10 0 DDAERO O=C(c1ccc(Br)o1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404241754 307297888 /nfs/dbraw/zinc/29/78/88/307297888.db2.gz XPMJPRLFEVCHIG-DTWKUNHWSA-N 1 0 315.167 1.245 10 0 DDAERO Cc1nc(-c2ccccc2)ccc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262055834 484261426 /nfs/dbraw/zinc/26/14/26/484261426.db2.gz AKKSICHQEDZHLL-YOEHRIQHSA-N 1 0 311.385 1.367 10 0 DDAERO CC(C)[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)c1cccc(Cl)c1 ZINC000262274486 484267283 /nfs/dbraw/zinc/26/72/83/484267283.db2.gz NHANOCRGRZBCLG-CFVMTHIKSA-N 1 0 310.825 1.776 10 0 DDAERO CC(C)c1cccc(O[C@@H](C)C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262383563 484269953 /nfs/dbraw/zinc/26/99/53/484269953.db2.gz XFCBBLJFNZHKDJ-BJJXKVORSA-N 1 0 306.406 1.274 10 0 DDAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262353126 484270153 /nfs/dbraw/zinc/27/01/53/484270153.db2.gz UOAVKOFFJJUMGR-OXGONZEZSA-N 1 0 312.454 1.160 10 0 DDAERO C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671492852 485078089 /nfs/dbraw/zinc/07/80/89/485078089.db2.gz MFCRVRJGXFOIRN-PBHICJAKSA-N 1 0 318.396 1.875 10 0 DDAERO COCCN1C(=O)C[C@H]([NH3+])[C@@H]1c1ccc(Br)cc1 ZINC000070294614 518058532 /nfs/dbraw/zinc/05/85/32/518058532.db2.gz TWPNIMAIGSODCS-AAEUAGOBSA-N 1 0 313.195 1.696 10 0 DDAERO CC(C)[C@H]([NH3+])CCN(C)c1cnn(C)c(=O)c1Br ZINC000159969892 519817663 /nfs/dbraw/zinc/81/76/63/519817663.db2.gz IJGSKOSTILREQG-SECBINFHSA-N 1 0 317.231 1.352 10 0 DDAERO CCc1csc([C@H]2CCC[N@H+](CCC(=O)NC(N)=O)C2)n1 ZINC000157814828 522117104 /nfs/dbraw/zinc/11/71/04/522117104.db2.gz IMPVGDWQWDYHMB-JTQLQIEISA-N 1 0 310.423 1.470 10 0 DDAERO O=C(NCCC[N@@H+]1CCC[C@H](Cn2cncn2)C1)C(F)(F)F ZINC000154832596 527666450 /nfs/dbraw/zinc/66/64/50/527666450.db2.gz YNSKJBMKYRUZPP-NSHDSACASA-N 1 0 319.331 1.059 10 0 DDAERO CC[C@@H](C)[NH+]1CCN(C[C@@H](O)COCc2ccccc2)CC1 ZINC000295887770 529355186 /nfs/dbraw/zinc/35/51/86/529355186.db2.gz CNGULGHCCHMDAP-SJLPKXTDSA-N 1 0 306.450 1.980 10 0 DDAERO O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1CCCc2ccccc21 ZINC000051633294 696245085 /nfs/dbraw/zinc/24/50/85/696245085.db2.gz SAIDPAARVNKODW-INIZCTEOSA-N 1 0 308.447 1.983 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1nnc2ccccc2c1O ZINC000118320517 696672832 /nfs/dbraw/zinc/67/28/32/696672832.db2.gz CLIXHFKUWQXBTL-GFCCVEGCSA-N 1 0 316.405 1.629 10 0 DDAERO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000124531624 696743438 /nfs/dbraw/zinc/74/34/38/696743438.db2.gz KZTPDGZMXVBXNX-WFASDCNBSA-N 1 0 320.418 1.278 10 0 DDAERO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000124531458 696743713 /nfs/dbraw/zinc/74/37/13/696743713.db2.gz KZTPDGZMXVBXNX-SWLSCSKDSA-N 1 0 320.418 1.278 10 0 DDAERO CNC(=O)[C@H]([NH2+]Cc1cc(OC)ccc1OCOC)C(C)C ZINC000179906777 697442590 /nfs/dbraw/zinc/44/25/90/697442590.db2.gz RHWWQCUPZXHUOG-OAHLLOKOSA-N 1 0 310.394 1.538 10 0 DDAERO COc1ccc([C@@H](C)[NH2+]CC(=O)N2CCO[C@@H](C)C2)cc1OC ZINC000180884082 697453207 /nfs/dbraw/zinc/45/32/07/697453207.db2.gz KVAFNVJOPPXKNW-QWHCGFSZSA-N 1 0 322.405 1.602 10 0 DDAERO Cn1c(C(F)F)nn(CN2CCO[C@@H](C[NH+](C)C)C2)c1=S ZINC000181374172 697458958 /nfs/dbraw/zinc/45/89/58/697458958.db2.gz VRCOAJHFINEBCN-VIFPVBQESA-N 1 0 321.397 1.109 10 0 DDAERO CC(C)c1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H]1CCOC1 ZINC000181992737 697468923 /nfs/dbraw/zinc/46/89/23/697468923.db2.gz ZHVQPPPLNBGGKC-CYBMUJFWSA-N 1 0 308.426 1.259 10 0 DDAERO O=C(O[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CNC(=O)C1 ZINC000183196549 697484843 /nfs/dbraw/zinc/48/48/43/697484843.db2.gz NJIPGDZVFDRWBJ-HUUCEWRRSA-N 1 0 302.374 1.330 10 0 DDAERO C[C@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1ccc(F)c(F)c1 ZINC000187641016 697548038 /nfs/dbraw/zinc/54/80/38/697548038.db2.gz OLVLMIXLZBNWDF-VIFPVBQESA-N 1 0 304.362 1.507 10 0 DDAERO C/C=C\C[N@@H+]1CCCn2nc(CCC(=O)NC3CC3)cc2C1 ZINC000219328364 697754431 /nfs/dbraw/zinc/75/44/31/697754431.db2.gz MKKDGLSHADKWDO-IHWYPQMZSA-N 1 0 302.422 1.876 10 0 DDAERO Cc1ccc(NC(=O)/C=C\C(=O)N[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000222557210 697757552 /nfs/dbraw/zinc/75/75/52/697757552.db2.gz LYFKKOZXOQESLY-WLMCBFPDSA-N 1 0 313.401 1.700 10 0 DDAERO C/C=C(/C)C[N@@H+]1C[C@H](NC(=O)c2ccnn2C)[C@@H](C2CC2)C1 ZINC000229996590 697780898 /nfs/dbraw/zinc/78/08/98/697780898.db2.gz CJLDDHLJVLAKAO-SVFPLVNMSA-N 1 0 302.422 1.827 10 0 DDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](O)c1cc(OC)cc(OC)c1 ZINC000246255088 698346666 /nfs/dbraw/zinc/34/66/66/698346666.db2.gz KFZKAJBABXHPFI-COLVAYQJSA-N 1 0 310.394 1.227 10 0 DDAERO COC[C@H]([NH3+])C(=O)N[C@@H](C)COc1ccccc1C(F)(F)F ZINC000262241392 698460852 /nfs/dbraw/zinc/46/08/52/698460852.db2.gz HTSABINBLMNTDV-ONGXEEELSA-N 1 0 320.311 1.563 10 0 DDAERO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000309963727 698668821 /nfs/dbraw/zinc/66/88/21/698668821.db2.gz CCWOMTYQLARMML-NEPJUHHUSA-N 1 0 322.471 1.655 10 0 DDAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1cc(C(=O)OC)ccc1Cl ZINC000312248497 698676817 /nfs/dbraw/zinc/67/68/17/698676817.db2.gz BWSXFSGSOKMMNI-QMMMGPOBSA-N 1 0 320.798 1.013 10 0 DDAERO C[C@@H]1[C@@H]([NH3+])CCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000312492341 698678028 /nfs/dbraw/zinc/67/80/28/698678028.db2.gz PMJFXFYJODWBQA-KCJUWKMLSA-N 1 0 308.325 1.906 10 0 DDAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+][C@@H]2CCSC2)C1 ZINC000702818600 699233133 /nfs/dbraw/zinc/23/31/33/699233133.db2.gz JZBKUWFNLZJRCX-UTUOFQBUSA-N 1 0 302.440 1.309 10 0 DDAERO CC[C@H](COC)[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702841561 699233757 /nfs/dbraw/zinc/23/37/57/699233757.db2.gz TVXMOCQXMNIWSN-YNEHKIRRSA-N 1 0 302.415 1.229 10 0 DDAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+]Cc2ccns2)C1 ZINC000702843678 699233854 /nfs/dbraw/zinc/23/38/54/699233854.db2.gz GNPFMRSCKVUSIF-PWSUYJOCSA-N 1 0 313.423 1.461 10 0 DDAERO CCNC(=O)C(C)(C)[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711449054 699258356 /nfs/dbraw/zinc/25/83/56/699258356.db2.gz USFWVFVMLOUYII-UHFFFAOYSA-N 1 0 313.442 1.794 10 0 DDAERO CO[C@@H]1CN(C(=O)CC(F)(F)C(F)(F)F)[C@](C)(C[NH3+])C1 ZINC000713187175 699264879 /nfs/dbraw/zinc/26/48/79/699264879.db2.gz JLUUASMWZRHTEB-CBAPKCEASA-N 1 0 304.259 1.539 10 0 DDAERO CCC1([NH3+])CCN(c2ncc(Br)c(OC)n2)CC1 ZINC000714752704 699272450 /nfs/dbraw/zinc/27/24/50/699272450.db2.gz NEMVITNZFCKQRJ-UHFFFAOYSA-N 1 0 315.215 1.955 10 0 DDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ncc(Br)s1 ZINC000714941960 699272856 /nfs/dbraw/zinc/27/28/56/699272856.db2.gz AJKMNJQXURQBPS-RNFRBKRXSA-N 1 0 304.213 1.377 10 0 DDAERO NC(=O)C1CC([NH2+][C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000716714607 699283949 /nfs/dbraw/zinc/28/39/49/699283949.db2.gz CTXVMLWMLAODJB-SHARSMKWSA-N 1 0 317.389 1.251 10 0 DDAERO C[C@H]1[C@H]([NH2+]C2CC(C(N)=O)C2)CCCN1C(=O)OC(C)(C)C ZINC000716717682 699284068 /nfs/dbraw/zinc/28/40/68/699284068.db2.gz RWIDBICAFVOGCO-YWPUVAFDSA-N 1 0 311.426 1.628 10 0 DDAERO COc1ccccc1[C@H]1CN(C(=O)/C=C\C[NH+](C)C)CCN1 ZINC000886039499 708686748 /nfs/dbraw/zinc/68/67/48/708686748.db2.gz LFACYTWSSKTAIT-WUKHSURWSA-N 1 0 303.406 1.286 10 0 DDAERO CO[C@]1(c2nnc(-c3ccc4c[nH+]cn4c3C)o2)CCOC1 ZINC000886086096 708695748 /nfs/dbraw/zinc/69/57/48/708695748.db2.gz QJBMEADPYJAJLZ-OAHLLOKOSA-N 1 0 300.318 1.955 10 0 DDAERO C[NH+](C)Cc1cc(O[C@H]2CCN(C(=O)c3ccc[nH]3)C2)ccn1 ZINC000886095278 708697310 /nfs/dbraw/zinc/69/73/10/708697310.db2.gz QFPKEHDXYRPHOL-HNNXBMFYSA-N 1 0 314.389 1.765 10 0 DDAERO CC[C@@H]1CN(c2nc(Cl)nc3nc[nH]c32)CC[N@@H+]1CCOC ZINC000892353629 710421991 /nfs/dbraw/zinc/42/19/91/710421991.db2.gz CMMIRLKFUDCVTA-SNVBAGLBSA-N 1 0 324.816 1.553 10 0 DDAERO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCO[C@@H]2c2ccnn2C)C1 ZINC000908098505 712686720 /nfs/dbraw/zinc/68/67/20/712686720.db2.gz QQEUIHPXRPLZEH-DZKIICNBSA-N 1 0 320.437 1.488 10 0 DDAERO C[C@H](O)c1cccc(N2CCC([NH+]3CCC(O)CC3)CC2)n1 ZINC000095496915 185374247 /nfs/dbraw/zinc/37/42/47/185374247.db2.gz GADYTIIWFUHDNH-ZDUSSCGKSA-N 1 0 305.422 1.560 10 0 DDAERO Cn1cnnc1CN1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248594677 282092810 /nfs/dbraw/zinc/09/28/10/282092810.db2.gz LZXATEZADNKBLU-XQQFMLRXSA-N 1 0 321.425 1.550 10 0 DDAERO CC[NH2+][C@@H](CSc1nnnn1C)c1ccc2c(c1)OCO2 ZINC000081844782 192331356 /nfs/dbraw/zinc/33/13/56/192331356.db2.gz KSPLHTNSKVZDIJ-JTQLQIEISA-N 1 0 307.379 1.382 10 0 DDAERO CCCn1c(=O)[nH]nc1S[C@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000081879166 192332527 /nfs/dbraw/zinc/33/25/27/192332527.db2.gz HUPAHKSFBFCARP-RYUDHWBXSA-N 1 0 306.391 1.535 10 0 DDAERO C[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)Sc1n[nH]c(=O)n1C ZINC000081880629 192333812 /nfs/dbraw/zinc/33/38/12/192333812.db2.gz FDRBCIBGYWFQNR-CABZTGNLSA-N 1 0 308.407 1.558 10 0 DDAERO C[NH2+][C@@H](CSc1n[nH]c(C)n1)c1ccc2c(c1)OCCO2 ZINC000081890792 192334356 /nfs/dbraw/zinc/33/43/56/192334356.db2.gz DJYAHDLUZYZATB-NSHDSACASA-N 1 0 306.391 1.937 10 0 DDAERO C[C@@H](CS(C)(=O)=O)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000081900384 192335989 /nfs/dbraw/zinc/33/59/89/192335989.db2.gz JOYPNVHWRZOYQZ-NSHDSACASA-N 1 0 304.456 1.046 10 0 DDAERO CC(C)Cc1ccc([C@@H](O)C[NH2+][C@@H](C)CS(C)(=O)=O)cc1 ZINC000081903608 192336749 /nfs/dbraw/zinc/33/67/49/192336749.db2.gz BRWZWXXKNMUNLL-BBRMVZONSA-N 1 0 313.463 1.941 10 0 DDAERO CN(CC[N@H+](C)CCO)Cc1ccc(F)cc1Br ZINC000623091287 365653018 /nfs/dbraw/zinc/65/30/18/365653018.db2.gz WZEOIPFTKKQOLX-UHFFFAOYSA-N 1 0 319.218 1.944 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCC(=O)NC(C)C ZINC000079132628 185159903 /nfs/dbraw/zinc/15/99/03/185159903.db2.gz SPNFSTMAMODNKJ-CYBMUJFWSA-N 1 0 300.447 1.177 10 0 DDAERO COCCN(C(=O)CC[C@@H](CC[NH3+])C(C)C)[C@H](C)COC ZINC000079278188 185163106 /nfs/dbraw/zinc/16/31/06/185163106.db2.gz SGQRJRAWWMXZIJ-CABCVRRESA-N 1 0 302.459 1.898 10 0 DDAERO CN([C@H]1CCC[NH2+]C1)S(=O)(=O)Cc1ccccc1Cl ZINC000082348589 185176777 /nfs/dbraw/zinc/17/67/77/185176777.db2.gz UZBDIILEGTWDLO-LBPRGKRZSA-N 1 0 302.827 1.854 10 0 DDAERO C[NH2+][C@H](CCO)C[S@](=O)c1ccc(Br)cc1 ZINC000082990290 185210371 /nfs/dbraw/zinc/21/03/71/185210371.db2.gz MVRNIYHEVMRHIG-QLJPJBMISA-N 1 0 306.225 1.527 10 0 DDAERO [NH3+][C@H](c1ccc(Br)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000082998695 185210773 /nfs/dbraw/zinc/21/07/73/185210773.db2.gz UQWNZAJYAADXLF-MUWHJKNJSA-N 1 0 310.238 1.945 10 0 DDAERO CCC[C@@H](C[NH3+])C(=O)Nc1cc(S(=O)(=O)NC)ccc1C ZINC000087516268 185227574 /nfs/dbraw/zinc/22/75/74/185227574.db2.gz SQETUUQWWCBWQW-NSHDSACASA-N 1 0 313.423 1.217 10 0 DDAERO [NH3+][C@@H](c1sccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000087630454 185229532 /nfs/dbraw/zinc/22/95/32/185229532.db2.gz MEBHAWFSOCAEFW-HTRCEHHLSA-N 1 0 310.238 1.945 10 0 DDAERO CCOC(=O)CCCCCSc1nnc(C)n1CC[NH3+] ZINC000087715232 185231048 /nfs/dbraw/zinc/23/10/48/185231048.db2.gz QRBAVDHITULFNP-UHFFFAOYSA-N 1 0 300.428 1.761 10 0 DDAERO OCC(CO)[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000087751637 185231450 /nfs/dbraw/zinc/23/14/50/185231450.db2.gz VKGWFKKTEFHXPZ-UHFFFAOYSA-N 1 0 300.196 1.638 10 0 DDAERO NNc1cc(Nc2ccc(Br)cc2F)nc(N)[nH+]1 ZINC000087885179 185234496 /nfs/dbraw/zinc/23/44/96/185234496.db2.gz YXCXVPZACFLLIN-UHFFFAOYSA-N 1 0 313.134 1.990 10 0 DDAERO CCC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@H](S(=O)(=O)CC(=O)OC)C1 ZINC000081976784 192347916 /nfs/dbraw/zinc/34/79/16/192347916.db2.gz JITIYRYDNNQVMU-IJLUTSLNSA-N 1 0 305.440 1.506 10 0 DDAERO C[C@H]([NH3+])CS(=O)(=O)Cc1ccc(F)c(Br)c1 ZINC000088070748 185238942 /nfs/dbraw/zinc/23/89/42/185238942.db2.gz LEMIIKBEHVXQNJ-ZETCQYMHSA-N 1 0 310.188 1.850 10 0 DDAERO C[NH2+][C@H](Cc1ccc(Br)cc1)[C@H]1COCCO1 ZINC000087857645 185233712 /nfs/dbraw/zinc/23/37/12/185233712.db2.gz YYYLOSAMSCUCPB-CHWSQXEVSA-N 1 0 300.196 1.995 10 0 DDAERO CN1CCCC[C@H]1CNc1nc(NN)[nH+]cc1Br ZINC000087867968 185233998 /nfs/dbraw/zinc/23/39/98/185233998.db2.gz NAJPMZAYKJFZJO-QMMMGPOBSA-N 1 0 315.219 1.421 10 0 DDAERO CCC[C@H]1CC[C@@H]([NH2+]CC)[C@H](S(=O)(=O)CCC(=O)OC)C1 ZINC000081974608 192348162 /nfs/dbraw/zinc/34/81/62/192348162.db2.gz VEKNJBYKROTPJO-BFHYXJOUSA-N 1 0 319.467 1.911 10 0 DDAERO CC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1S(=O)(=O)CCC(=O)OC ZINC000081975408 192348176 /nfs/dbraw/zinc/34/81/76/192348176.db2.gz BILRAOJLRWJXNK-NEPJUHHUSA-N 1 0 305.440 1.521 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)Nc1cc(C)nn1C(C)(C)C)C(C)C ZINC000183679232 539243112 /nfs/dbraw/zinc/24/31/12/539243112.db2.gz BXODYSBFWYRGCA-CQSZACIVSA-N 1 0 323.441 1.245 10 0 DDAERO C[C@@H]([NH2+]CC(=O)NCCCOC1CCCCC1)[C@@H]1CCCO1 ZINC000183124513 539240829 /nfs/dbraw/zinc/24/08/29/539240829.db2.gz SVWJCFDLPCONIN-ZBFHGGJFSA-N 1 0 312.454 1.999 10 0 DDAERO CCOc1ccc([C@H]([NH3+])CS(=O)(=O)CCC(=O)OC)cc1 ZINC000081975217 192348380 /nfs/dbraw/zinc/34/83/80/192348380.db2.gz HUIIPUCSKGCKHP-CYBMUJFWSA-N 1 0 315.391 1.063 10 0 DDAERO COC(=O)CS(=O)(=O)C[C@H]([NH3+])c1ccc(CC(C)C)cc1 ZINC000081975764 192348500 /nfs/dbraw/zinc/34/85/00/192348500.db2.gz MWLXGMFGXPBCQT-AWEZNQCLSA-N 1 0 313.419 1.473 10 0 DDAERO Cc1nc(S(=O)(=O)N2CC[NH2+]CC23CCCCC3)cn1C ZINC000088396221 185248563 /nfs/dbraw/zinc/24/85/63/185248563.db2.gz WWFIPSRQHLSKIK-UHFFFAOYSA-N 1 0 312.439 1.025 10 0 DDAERO CC[C@@H](C(N)=S)S(=O)(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC000088487081 185253461 /nfs/dbraw/zinc/25/34/61/185253461.db2.gz JZOIMNHTJVBRFW-RYUDHWBXSA-N 1 0 323.528 1.481 10 0 DDAERO CCOc1cnc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2CC)cn1 ZINC000188350522 539250946 /nfs/dbraw/zinc/25/09/46/539250946.db2.gz IVQHUOWTMRPSPK-CHWSQXEVSA-N 1 0 304.394 1.574 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2CC)o1 ZINC000088543941 185256841 /nfs/dbraw/zinc/25/68/41/185256841.db2.gz ZGNVQCQEPUIGOI-NSHDSACASA-N 1 0 302.396 1.189 10 0 DDAERO CC(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(C=O)o2)C1 ZINC000088541182 185255733 /nfs/dbraw/zinc/25/57/33/185255733.db2.gz IIJRDQVRJFKVCF-LLVKDONJSA-N 1 0 300.380 1.101 10 0 DDAERO CC(C)(C)[NH2+]Cc1ccc(S(=O)(=O)NC2CCOCC2)o1 ZINC000088542427 185255998 /nfs/dbraw/zinc/25/59/98/185255998.db2.gz DCASWDVIYMXJGY-UHFFFAOYSA-N 1 0 316.423 1.625 10 0 DDAERO CCCCOCCNS(=O)(=O)c1ccc(C[NH2+]CC)o1 ZINC000088542810 185256033 /nfs/dbraw/zinc/25/60/33/185256033.db2.gz SIFLXGSRDMYYHE-UHFFFAOYSA-N 1 0 304.412 1.484 10 0 DDAERO COCCCCNS(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000088542995 185256051 /nfs/dbraw/zinc/25/60/51/185256051.db2.gz AXEYSEXVHAHNEW-UHFFFAOYSA-N 1 0 318.439 1.730 10 0 DDAERO Cc1nn(C)c2sc(C(=O)N(C)CCC[NH+](C)C)c(N)c12 ZINC000088643713 185261489 /nfs/dbraw/zinc/26/14/89/185261489.db2.gz GRMSTKKXEBDVTP-UHFFFAOYSA-N 1 0 309.439 1.549 10 0 DDAERO Cc1ccc(Cl)cc1OCC[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000088730751 185263755 /nfs/dbraw/zinc/26/37/55/185263755.db2.gz IGFDFBUWBHIKEQ-GFCCVEGCSA-N 1 0 303.811 1.804 10 0 DDAERO Cc1c(CO)cccc1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000088883992 185268646 /nfs/dbraw/zinc/26/86/46/185268646.db2.gz XUDZJKFZKBWDJO-UHFFFAOYSA-N 1 0 312.435 1.202 10 0 DDAERO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(CO)cc2)CC1 ZINC000088891781 185269599 /nfs/dbraw/zinc/26/95/99/185269599.db2.gz MTCKLBOLMNINPL-UHFFFAOYSA-N 1 0 312.435 1.284 10 0 DDAERO C[NH2+][C@@H](C[S@](=O)CCS(C)(=O)=O)c1ccccc1C ZINC000081992079 192351817 /nfs/dbraw/zinc/35/18/17/192351817.db2.gz CXCBRYLSWVVIOE-UGSOOPFHSA-N 1 0 303.449 1.049 10 0 DDAERO CC[NH2+][C@@H](C[S@](=O)CCS(C)(=O)=O)c1ccccc1 ZINC000081991928 192352354 /nfs/dbraw/zinc/35/23/54/192352354.db2.gz DTOAFQANQMSXFS-UGSOOPFHSA-N 1 0 303.449 1.131 10 0 DDAERO CCCN(C1C[NH2+]C1)S(=O)(=O)c1cccc2cnccc21 ZINC000090293211 185289922 /nfs/dbraw/zinc/28/99/22/185289922.db2.gz PFEINZRUYPUTFX-UHFFFAOYSA-N 1 0 305.403 1.607 10 0 DDAERO FC(F)(F)c1cnc(N2CCN(C3C[NH2+]C3)CC2)c(Cl)c1 ZINC000090307874 185290156 /nfs/dbraw/zinc/29/01/56/185290156.db2.gz AAGUQTRGFQSLHH-UHFFFAOYSA-N 1 0 320.746 1.848 10 0 DDAERO Brc1ccc(CN2CC(N3CC[NH2+]CC3)C2)s1 ZINC000090308564 185290164 /nfs/dbraw/zinc/29/01/64/185290164.db2.gz HCIWHZJXKVMHNI-UHFFFAOYSA-N 1 0 316.268 1.600 10 0 DDAERO COc1ccc(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000090322336 185290983 /nfs/dbraw/zinc/29/09/83/185290983.db2.gz VSMFKUWPLJJFRH-UWVGGRQHSA-N 1 0 316.810 1.189 10 0 DDAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1ccc(OC)cc1 ZINC000090331693 185291421 /nfs/dbraw/zinc/29/14/21/185291421.db2.gz ZDRNOBFCDVCXEF-BYCMXARLSA-N 1 0 310.419 1.314 10 0 DDAERO [NH3+][C@@H]1COC[C@@H]1c1nnc2c(Cl)cc(C(F)(F)F)cn21 ZINC000090364098 185292894 /nfs/dbraw/zinc/29/28/94/185292894.db2.gz SKXCLAOWLGSONS-POYBYMJQSA-N 1 0 306.675 1.843 10 0 DDAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000090489620 185298934 /nfs/dbraw/zinc/29/89/34/185298934.db2.gz 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CCOCC[N@@H+]1CCN(Cc2cn3cccnc3n2)C[C@@H]1CC ZINC000105838087 194144108 /nfs/dbraw/zinc/14/41/08/194144108.db2.gz HIOCJOMZBJANIS-INIZCTEOSA-N 1 0 317.437 1.662 10 0 DDAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)NC(CC)CC)CC2 ZINC000105873250 194153757 /nfs/dbraw/zinc/15/37/57/194153757.db2.gz RGLPGYIEGVFGRM-AAEUAGOBSA-N 1 0 307.442 1.438 10 0 DDAERO O=C(C[N@@H+]1CCC[C@H](Cn2cncn2)C1)Nc1cccc(F)c1 ZINC000105882906 194156166 /nfs/dbraw/zinc/15/61/66/194156166.db2.gz MTSXNFQEEBEYGB-ZDUSSCGKSA-N 1 0 317.368 1.768 10 0 DDAERO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CCC(=O)NC(C)C)C2)n1 ZINC000105885347 194157469 /nfs/dbraw/zinc/15/74/69/194157469.db2.gz YSZSFXQDUVSBHR-OAHLLOKOSA-N 1 0 307.442 1.522 10 0 DDAERO O[C@H](COc1ccc(F)cc1)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000105898626 194164658 /nfs/dbraw/zinc/16/46/58/194164658.db2.gz PTFLXATZLUYODZ-GJZGRUSLSA-N 1 0 320.368 1.494 10 0 DDAERO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105927361 194173183 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NS(=O)(=O)c1ccccc1NCc1ccc(C[NH3+])cc1F ZINC000109540641 194272324 /nfs/dbraw/zinc/27/23/24/194272324.db2.gz ODNJBODTSIWGHW-UHFFFAOYSA-N 1 0 309.366 1.544 10 0 DDAERO O=S(=O)(Cc1ccc(F)cc1)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051359390 183824706 /nfs/dbraw/zinc/82/47/06/183824706.db2.gz HDAYNDZOLOXENK-GJZGRUSLSA-N 1 0 312.410 1.872 10 0 DDAERO O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1CCOc2ccccc21 ZINC000051988062 183844358 /nfs/dbraw/zinc/84/43/58/183844358.db2.gz FPEVSVVQPUMFBX-AWEZNQCLSA-N 1 0 310.419 1.429 10 0 DDAERO C[NH2+]C[C@@H](Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000052949664 183881503 /nfs/dbraw/zinc/88/15/03/183881503.db2.gz ZFRYUEGQCMCQDN-CHWSQXEVSA-N 1 0 315.410 1.647 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)[C@@H](Cc2ccccc2)C(N)=S)C1 ZINC000110272554 194318619 /nfs/dbraw/zinc/31/86/19/194318619.db2.gz JLJJGKXJOZFUJE-KBPBESRZSA-N 1 0 305.447 1.294 10 0 DDAERO CC[NH+](CC)[C@H]1CCN(c2nnc(C)c(C)c2C(N)=S)C1 ZINC000110278420 194318830 /nfs/dbraw/zinc/31/88/30/194318830.db2.gz JORLUICPJFRTBC-LBPRGKRZSA-N 1 0 307.467 1.648 10 0 DDAERO NC(=S)c1ccc(CC(=O)N[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000110613276 194342070 /nfs/dbraw/zinc/34/20/70/194342070.db2.gz DCRQLVMGXUEUIP-CQSZACIVSA-N 1 0 303.431 1.074 10 0 DDAERO Cn1ncc2c1nc(CN1CC[N@H+](C)C(C)(C)C1)nc2Cl ZINC000110717694 194354115 /nfs/dbraw/zinc/35/41/15/194354115.db2.gz TXJMIKUONKGICY-UHFFFAOYSA-N 1 0 308.817 1.543 10 0 DDAERO CC[NH2+][C@@H]1CCCc2nc(N3CCNC(=O)C3(C)C)sc21 ZINC000110664127 194347713 /nfs/dbraw/zinc/34/77/13/194347713.db2.gz QPKDXFBEXUQADQ-SNVBAGLBSA-N 1 0 308.451 1.845 10 0 DDAERO Cc1cc2c(ncnc2N2CCN(C[C@@H](C)C[NH3+])CC2)s1 ZINC000110779036 194358709 /nfs/dbraw/zinc/35/87/09/194358709.db2.gz OHKYEFGKSPHQOA-NSHDSACASA-N 1 0 305.451 1.717 10 0 DDAERO COCCN(C)[C@@H](C[NH3+])c1ccc(OC)c(OC)c1Cl ZINC000110828774 194361961 /nfs/dbraw/zinc/36/19/61/194361961.db2.gz JRDDRLXUQLDRAA-NSHDSACASA-N 1 0 302.802 1.935 10 0 DDAERO CN(Cc1cc(=O)n2cc(Cl)ccc2n1)[C@@H]1CCC[NH2+]C1 ZINC000110932045 194371517 /nfs/dbraw/zinc/37/15/17/194371517.db2.gz CSMALJWBDFONRY-CYBMUJFWSA-N 1 0 306.797 1.532 10 0 DDAERO CCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000110941734 194372571 /nfs/dbraw/zinc/37/25/71/194372571.db2.gz VYDVLTHDTHIWSL-LLVKDONJSA-N 1 0 316.398 1.597 10 0 DDAERO COCC[NH2+]C[C@@H](CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000054639516 183947073 /nfs/dbraw/zinc/94/70/73/183947073.db2.gz UQDCAFJYESSECN-HUUCEWRRSA-N 1 0 319.467 1.090 10 0 DDAERO CC(C)(C)S(=O)(=O)N(CC(F)(F)F)C1CC[NH2+]CC1 ZINC000111071726 194388241 /nfs/dbraw/zinc/38/82/41/194388241.db2.gz XCWWROQZCXRAJI-UHFFFAOYSA-N 1 0 302.362 1.731 10 0 DDAERO COc1ccccc1N(CCC[NH3+])S(=O)(=O)C(C)(C)C ZINC000111071253 194388263 /nfs/dbraw/zinc/38/82/63/194388263.db2.gz UNGWHPIKECABEA-UHFFFAOYSA-N 1 0 300.424 1.979 10 0 DDAERO CCc1nc(N(C)[C@H](C)COC)sc1C[NH2+]CCOC ZINC000054998840 183956792 /nfs/dbraw/zinc/95/67/92/183956792.db2.gz JYMYTSPTKQEKTO-LLVKDONJSA-N 1 0 301.456 1.913 10 0 DDAERO CCOC(=O)[C@@](C)(C[N@H+](C)C[C@@H]1CCCOC1)NC(C)C ZINC000111169914 194398235 /nfs/dbraw/zinc/39/82/35/194398235.db2.gz BJLYBUMYOOMQKM-GOEBONIOSA-N 1 0 300.443 1.665 10 0 DDAERO Cc1cc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccccc2)no1 ZINC000056242592 184007882 /nfs/dbraw/zinc/00/78/82/184007882.db2.gz AXYRENKYYLLESX-CYBMUJFWSA-N 1 0 316.361 1.341 10 0 DDAERO c1ccc(OCc2nc3c(c(N4CC[NH2+]CC4)n2)CCC3)cc1 ZINC000057328723 184033227 /nfs/dbraw/zinc/03/32/27/184033227.db2.gz SRLDHMILJAOEJK-UHFFFAOYSA-N 1 0 310.401 1.954 10 0 DDAERO CCCn1c(S[C@H](c2cnn(C)c2)[C@H]([NH3+])CC)n[nH]c1=O ZINC000061594808 184176707 /nfs/dbraw/zinc/17/67/07/184176707.db2.gz MPFMLWJNSPTPKF-GHMZBOCLSA-N 1 0 310.427 1.286 10 0 DDAERO CCc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)cc1N ZINC000061642546 184180614 /nfs/dbraw/zinc/18/06/14/184180614.db2.gz OTPIDPGZXADHHM-CYBMUJFWSA-N 1 0 311.451 1.546 10 0 DDAERO C[C@H](O)c1cccc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061655571 184181273 /nfs/dbraw/zinc/18/12/73/184181273.db2.gz WSKIWWXRSRHNRH-GXTWGEPZSA-N 1 0 312.435 1.455 10 0 DDAERO C[C@@H]([NH3+])[C@H](c1ccccn1)N1CCN(CC(F)(F)F)CC1 ZINC000061940824 184197473 /nfs/dbraw/zinc/19/74/73/184197473.db2.gz SAUZKFZFBQXQFH-DGCLKSJQSA-N 1 0 302.344 1.650 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(C)CCCOC)cc1 ZINC000062037878 184202679 /nfs/dbraw/zinc/20/26/79/184202679.db2.gz WSGFWJYVCIFWCM-UHFFFAOYSA-N 1 0 300.424 1.453 10 0 DDAERO C[C@H](Cc1ccc(F)cc1)NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000062037916 184202923 /nfs/dbraw/zinc/20/29/23/184202923.db2.gz NCCBASLRHRLQOP-BXUZGUMPSA-N 1 0 300.399 1.428 10 0 DDAERO C[NH+](C)CCCNC(=O)CCc1cc2ccc(F)cc2[nH]c1=O ZINC000062066151 184203981 /nfs/dbraw/zinc/20/39/81/184203981.db2.gz LXHZPPBENREBES-UHFFFAOYSA-N 1 0 319.380 1.668 10 0 DDAERO Cc1nnc(NC[C@H](C)C[NH+]2CCCC2)c(C(N)=S)c1C ZINC000062080405 184204988 /nfs/dbraw/zinc/20/49/88/184204988.db2.gz BMQRTZMWYXDCMN-JTQLQIEISA-N 1 0 307.467 1.871 10 0 DDAERO CCC[NH2+][C@@H]1CCCCC[C@@H]1N1CCN(S(C)(=O)=O)CC1 ZINC000062083986 184205052 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C[C@H](CNC(=O)[C@H]1CCC(=O)N1c1ccccc1)[NH+]1CCCC1 ZINC000062348293 184231770 /nfs/dbraw/zinc/23/17/70/184231770.db2.gz CTYNIJYPOLFAEF-GDBMZVCRSA-N 1 0 315.417 1.783 10 0 DDAERO CC[C@H](Oc1ccc(C[C@H](C)[NH3+])cc1Br)C(N)=O ZINC000062704021 184248953 /nfs/dbraw/zinc/24/89/53/184248953.db2.gz BHJNKDSOLRTJRX-KWQFWETISA-N 1 0 315.211 1.982 10 0 DDAERO CCC1(C(=O)Nc2ccccc2S(N)(=O)=O)CC[NH2+]CC1 ZINC000062849422 184256447 /nfs/dbraw/zinc/25/64/47/184256447.db2.gz YHOYILOTCAINTD-UHFFFAOYSA-N 1 0 311.407 1.052 10 0 DDAERO CC[C@]1(C(=O)N[C@@H](CC(=O)OC)c2cccs2)CC[NH2+]C1 ZINC000062893157 184258973 /nfs/dbraw/zinc/25/89/73/184258973.db2.gz RTCIZVXZZMRUEZ-NHYWBVRUSA-N 1 0 310.419 1.858 10 0 DDAERO CNC(=O)[C@@H](C)Oc1ccc(C[NH2+]C)cc1Br ZINC000062700930 184247840 /nfs/dbraw/zinc/24/78/40/184247840.db2.gz PYAJCMQWJQLOLW-MRVPVSSYSA-N 1 0 301.184 1.682 10 0 DDAERO O=S(=O)(C[C@@H]1CCCO1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063189820 184277314 /nfs/dbraw/zinc/27/73/14/184277314.db2.gz 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C[NH+](C)C[C@H](NC(=O)CCNC(=O)C(C)(C)C)c1ccccc1 ZINC000029954534 406929178 /nfs/dbraw/zinc/92/91/78/406929178.db2.gz BMLNPMQOVXBXDC-HNNXBMFYSA-N 1 0 319.449 1.958 10 0 DDAERO COc1cc(C[NH2+][C@@H]2CCCNC2=O)c(SC)cc1OC ZINC000077988856 407016544 /nfs/dbraw/zinc/01/65/44/407016544.db2.gz UAAATNKYUPGMSJ-LLVKDONJSA-N 1 0 310.419 1.794 10 0 DDAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)NC1CC[NH+](C)CC1 ZINC000078473170 407030062 /nfs/dbraw/zinc/03/00/62/407030062.db2.gz ZJGITTCSGGJOTM-LBPRGKRZSA-N 1 0 304.394 1.407 10 0 DDAERO COCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000078684562 407041563 /nfs/dbraw/zinc/04/15/63/407041563.db2.gz AEYQTIUTPXRNAG-QWHCGFSZSA-N 1 0 322.405 1.650 10 0 DDAERO C[C@@H](NC(=O)C(=O)N1CC[NH2+]CC1)c1ccc(Cl)s1 ZINC000049148295 407116786 /nfs/dbraw/zinc/11/67/86/407116786.db2.gz ZIPVBWIIPNUNQG-MRVPVSSYSA-N 1 0 301.799 1.011 10 0 DDAERO O=C(NCCc1cccs1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000049172984 407116967 /nfs/dbraw/zinc/11/69/67/407116967.db2.gz DQWYFGLUGXYGIL-CYBMUJFWSA-N 1 0 311.451 1.437 10 0 DDAERO Cc1cc(CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)ccc1F ZINC000049173280 407117027 /nfs/dbraw/zinc/11/70/27/407117027.db2.gz OLUFZLONLORERS-HNNXBMFYSA-N 1 0 323.412 1.780 10 0 DDAERO C[NH+](C)C[C@H](NC(=O)CNC(=O)C(C)(C)C)c1ccccc1 ZINC000052556000 407152484 /nfs/dbraw/zinc/15/24/84/407152484.db2.gz PPQSHMKDAGDVBW-AWEZNQCLSA-N 1 0 305.422 1.568 10 0 DDAERO O=S(=O)(NC[C@@H]1CCC[NH2+]C1)c1nc2ccccc2s1 ZINC000095073353 407206446 /nfs/dbraw/zinc/20/64/46/407206446.db2.gz BUPVFXUVJKVEAO-SNVBAGLBSA-N 1 0 311.432 1.574 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC000067235495 407269483 /nfs/dbraw/zinc/26/94/83/407269483.db2.gz UGKAVCLYCCZQQW-QWHCGFSZSA-N 1 0 315.458 1.992 10 0 DDAERO CCC[C@H](C(=O)N1CCN(c2cccc(O)c2)CC1)[NH+](C)C ZINC000122751848 407309620 /nfs/dbraw/zinc/30/96/20/407309620.db2.gz NKTJRRQTWJXLKM-MRXNPFEDSA-N 1 0 305.422 1.771 10 0 DDAERO C[C@H]1CC[C@@H](C(=O)NCc2ccnc(OCC[NH+](C)C)c2)O1 ZINC000124146665 407349498 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C[NH+](C)C[C@@H]1CN(Cc2csc(-c3ccccn3)n2)CCO1 ZINC000111690695 407414823 /nfs/dbraw/zinc/41/48/23/407414823.db2.gz FFRICKIBFZGOQZ-CQSZACIVSA-N 1 0 318.446 1.968 10 0 DDAERO CCOCCN1CCN(C(=O)N[C@H]2COc3ccccc32)CC1 ZINC000111845160 407417887 /nfs/dbraw/zinc/41/78/87/407417887.db2.gz BLFZWGWWBPRTRV-HNNXBMFYSA-N 1 0 319.405 1.484 10 0 DDAERO CCCC[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)Nc1cc(C)on1 ZINC000112548639 407432185 /nfs/dbraw/zinc/43/21/85/407432185.db2.gz LSZWOXSSQKHWGC-ZIAGYGMSSA-N 1 0 324.425 1.401 10 0 DDAERO C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113222676 407479219 /nfs/dbraw/zinc/47/92/19/407479219.db2.gz JQRBFFOJYWMIFW-YNEHKIRRSA-N 1 0 311.426 1.595 10 0 DDAERO CCn1cc(C[NH+]2CCC3(CC[C@@H]3NC(=O)COC)CC2)cn1 ZINC000257187931 407483816 /nfs/dbraw/zinc/48/38/16/407483816.db2.gz MGCGVSRIDGKNCZ-HNNXBMFYSA-N 1 0 320.437 1.410 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NC(=O)Nc1ccccc1 ZINC000113269349 407485709 /nfs/dbraw/zinc/48/57/09/407485709.db2.gz GXWAFHLIVDGQJZ-UKRRQHHQSA-N 1 0 316.405 1.503 10 0 DDAERO Cc1ccccc1CS(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113305384 407492554 /nfs/dbraw/zinc/49/25/54/407492554.db2.gz RGHZLCYTJLIDRG-GOEBONIOSA-N 1 0 308.447 1.993 10 0 DDAERO COCCCOc1cccc(NC(=O)[C@H]([NH3+])C2CCOCC2)c1 ZINC000261611477 407550971 /nfs/dbraw/zinc/55/09/71/407550971.db2.gz BIDVUTVZTCQYTN-MRXNPFEDSA-N 1 0 322.405 1.794 10 0 DDAERO CC(C)CNC(=O)[C@@H](C)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261694094 407581446 /nfs/dbraw/zinc/58/14/46/407581446.db2.gz JFCFEPVHKRZFJV-OIISXLGYSA-N 1 0 303.450 1.821 10 0 DDAERO CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CCCN1c1cccnn1 ZINC000261702902 407587999 /nfs/dbraw/zinc/58/79/99/407587999.db2.gz DDOLSYPCRSDLKZ-ZDUSSCGKSA-N 1 0 305.426 1.327 10 0 DDAERO COc1ccc(NC(=O)[C@H](C)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000178624343 407517456 /nfs/dbraw/zinc/51/74/56/407517456.db2.gz AQEHVUNUGLHEEI-DZGCQCFKSA-N 1 0 303.406 1.802 10 0 DDAERO CCC[C@H](C(=O)NCCCc1nnc2n1CCCCC2)[NH+](C)C ZINC000178661096 407533150 /nfs/dbraw/zinc/53/31/50/407533150.db2.gz OVLADFCJMLLMRE-CQSZACIVSA-N 1 0 321.469 1.784 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccccc2N2CCOCC2)C1 ZINC000170864051 407537520 /nfs/dbraw/zinc/53/75/20/407537520.db2.gz HXVYDNGRVIQOBP-CQSZACIVSA-N 1 0 303.406 1.299 10 0 DDAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](OCCO)C1 ZINC000178671037 407539582 /nfs/dbraw/zinc/53/95/82/407539582.db2.gz NFZRKEYFNRQSKP-DLBZAZTESA-N 1 0 320.433 1.159 10 0 DDAERO COC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000114562797 407591171 /nfs/dbraw/zinc/59/11/71/407591171.db2.gz GPIPKUPMISXHTO-HZPDHXFCSA-N 1 0 307.390 1.449 10 0 DDAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C(N)=O)c2ccccc2)C12CCOCC2 ZINC000186228729 407613073 /nfs/dbraw/zinc/61/30/73/407613073.db2.gz VUVBASPIMGVRLR-XHSDSOJGSA-N 1 0 318.417 1.777 10 0 DDAERO NCc1nc(CN2CC[NH2+]C[C@H]2c2cccc(Cl)c2)no1 ZINC000261815209 407626242 /nfs/dbraw/zinc/62/62/42/407626242.db2.gz XFVNALKQVNXJQS-LBPRGKRZSA-N 1 0 307.785 1.328 10 0 DDAERO 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CC(C)N(C(=O)[C@H](C)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)C(C)C ZINC000247011140 279306577 /nfs/dbraw/zinc/30/65/77/279306577.db2.gz CEQLGAXNJJMBTB-PMPSAXMXSA-N 1 0 313.486 1.407 10 0 DDAERO CCOC(=O)C[C@@H](C)CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000129923184 279559122 /nfs/dbraw/zinc/55/91/22/279559122.db2.gz KVMJREUPCGBMEC-GDBMZVCRSA-N 1 0 320.433 1.865 10 0 DDAERO COCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000078684556 280986978 /nfs/dbraw/zinc/98/69/78/280986978.db2.gz AEYQTIUTPXRNAG-STQMWFEESA-N 1 0 322.405 1.650 10 0 DDAERO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000105933106 281051792 /nfs/dbraw/zinc/05/17/92/281051792.db2.gz OMFFKIJFGUUBKA-GXTWGEPZSA-N 1 0 309.385 1.381 10 0 DDAERO CC[NH2+]CCCNc1ncc(I)cn1 ZINC000126238186 281231440 /nfs/dbraw/zinc/23/14/40/281231440.db2.gz FNGSGGWNLSRIOF-UHFFFAOYSA-N 1 0 306.151 1.493 10 0 DDAERO Cc1cnn(CCNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000118051410 281692685 /nfs/dbraw/zinc/69/26/85/281692685.db2.gz OBNPFQGJLVZKHA-ZDUSSCGKSA-N 1 0 321.450 1.855 10 0 DDAERO C[NH+](C)C[C@H]1CN([C@H](C(=O)NC2CC2)c2ccccc2)CCO1 ZINC000155348431 289218502 /nfs/dbraw/zinc/21/85/02/289218502.db2.gz BRTKKCKBRQDRPD-IRXDYDNUSA-N 1 0 317.433 1.269 10 0 DDAERO Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170873610 298223896 /nfs/dbraw/zinc/22/38/96/298223896.db2.gz CMRXOKKUZQGJEZ-NSHDSACASA-N 1 0 302.827 1.973 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)C1 ZINC000377540341 307272183 /nfs/dbraw/zinc/27/21/83/307272183.db2.gz OHPXAGSCLDYSHB-UONOGXRCSA-N 1 0 305.426 1.783 10 0 DDAERO Cc1cc(O[C@H](C)C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)ccc1Cl ZINC000261897415 484259056 /nfs/dbraw/zinc/25/90/56/484259056.db2.gz AAQMTCZCMKRZFK-GYSYKLTISA-N 1 0 312.797 1.112 10 0 DDAERO C[C@H](C(=O)NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(Cl)c(Cl)c1 ZINC000262082271 484262182 /nfs/dbraw/zinc/26/21/82/484262182.db2.gz CMCHSROZNBLJHB-PLMOITTCSA-N 1 0 317.216 1.793 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1csc(-c2ccccc2)n1 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1.232 10 0 DDAERO CCOCCOc1ccccc1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000157929858 520043496 /nfs/dbraw/zinc/04/34/96/520043496.db2.gz FFVPNKLLMWLCNC-DZGCQCFKSA-N 1 0 306.406 1.959 10 0 DDAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000154703500 522033360 /nfs/dbraw/zinc/03/33/60/522033360.db2.gz CGIWKFLUGAXQIR-FUHWJXTLSA-N 1 0 302.418 1.798 10 0 DDAERO COCCN1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000156612348 523851839 /nfs/dbraw/zinc/85/18/39/523851839.db2.gz IZGSDWWCHQXSBA-HNNXBMFYSA-N 1 0 319.449 1.541 10 0 DDAERO CC[NH+]1CCN(c2cc(CNc3cncc(C)n3)ccn2)CC1 ZINC000302204815 529152539 /nfs/dbraw/zinc/15/25/39/529152539.db2.gz CRUGLVAVKPMMJN-UHFFFAOYSA-N 1 0 312.421 1.934 10 0 DDAERO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](N3CCOCC3)C2)CC1 ZINC000173329436 535144970 /nfs/dbraw/zinc/14/49/70/535144970.db2.gz SIKUURUEDQLMAY-MRXNPFEDSA-N 1 0 309.454 1.040 10 0 DDAERO C[NH+](C)C(C)(C)CNC(=O)Cc1ccc(N2CCOCC2)cc1 ZINC000062364815 536110180 /nfs/dbraw/zinc/11/01/80/536110180.db2.gz KOVGDUBMTYKJKX-UHFFFAOYSA-N 1 0 319.449 1.522 10 0 DDAERO C[C@@H]1CN(C(=O)c2csc(C3CC[NH2+]CC3)n2)C[C@@H](C)O1 ZINC000033560930 696127589 /nfs/dbraw/zinc/12/75/89/696127589.db2.gz RRUGAXUQXRXNRX-GHMZBOCLSA-N 1 0 309.435 1.860 10 0 DDAERO CC[C@@H]1CN(Cc2ncc(Cl)n2C)CC[N@@H+]1C[C@@H](C)O ZINC000105825897 696624995 /nfs/dbraw/zinc/62/49/95/696624995.db2.gz MYJPWPCIVYSWDD-VXGBXAGGSA-N 1 0 300.834 1.351 10 0 DDAERO [NH3+]CC[C@@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000125495265 696753378 /nfs/dbraw/zinc/75/33/78/696753378.db2.gz FUCXYNLVCMSOKD-SNVBAGLBSA-N 1 0 304.362 1.858 10 0 DDAERO C[NH+](C)[C@@H]1CCN(CN2C(=O)CN(c3ccccc3)C2=O)C1 ZINC000170842669 697350868 /nfs/dbraw/zinc/35/08/68/697350868.db2.gz IOKYJFSZSYAPPY-CQSZACIVSA-N 1 0 302.378 1.049 10 0 DDAERO C[C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)N1CCc2ccccc21 ZINC000172305743 697365981 /nfs/dbraw/zinc/36/59/81/697365981.db2.gz WSNHXDZLQNLSIW-GOEBONIOSA-N 1 0 317.433 1.227 10 0 DDAERO CC(=O)N[C@H]1CCC[N@H+](CCC(=O)OCc2ccccc2)C1 ZINC000181434948 697460697 /nfs/dbraw/zinc/46/06/97/697460697.db2.gz GAPPFXAWLIIZMN-INIZCTEOSA-N 1 0 304.390 1.720 10 0 DDAERO CC(=O)N[C@@H]1CCC[N@H+](CCC(=O)OCc2ccccc2)C1 ZINC000181434929 697460794 /nfs/dbraw/zinc/46/07/94/697460794.db2.gz GAPPFXAWLIIZMN-MRXNPFEDSA-N 1 0 304.390 1.720 10 0 DDAERO CCOCCN1CCN(C(=O)c2cncc(Cl)n2)C[C@@H]1C ZINC000192352869 697626818 /nfs/dbraw/zinc/62/68/18/697626818.db2.gz WKMAHJRFWVFRRN-NSHDSACASA-N 1 0 312.801 1.313 10 0 DDAERO O=C(N[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000222555720 697757705 /nfs/dbraw/zinc/75/77/05/697757705.db2.gz WYRXLWGVRXMSNV-GDBMZVCRSA-N 1 0 313.401 1.250 10 0 DDAERO O=C(Cn1nnc2ccccc21)NCC1(C[NH+]2CCCC2)CC1 ZINC000223543375 697762036 /nfs/dbraw/zinc/76/20/36/697762036.db2.gz STDQYGGMVNYZRJ-UHFFFAOYSA-N 1 0 313.405 1.424 10 0 DDAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000225884838 697766012 /nfs/dbraw/zinc/76/60/12/697766012.db2.gz KOLHKKNHVCVMMA-ZIAGYGMSSA-N 1 0 313.442 1.306 10 0 DDAERO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1F ZINC000229591598 697778351 /nfs/dbraw/zinc/77/83/51/697778351.db2.gz XPQIFXGRHQGFBW-SCZZXKLOSA-N 1 0 306.790 1.898 10 0 DDAERO CCCOc1ccc(S(=O)(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000229593655 697778675 /nfs/dbraw/zinc/77/86/75/697778675.db2.gz FQPAAMJNQILYQA-WFASDCNBSA-N 1 0 312.435 1.894 10 0 DDAERO C[C@H]1CN(C(=O)c2ccnc(Br)c2)C[C@@H]1[NH+](C)C ZINC000229622449 697779239 /nfs/dbraw/zinc/77/92/39/697779239.db2.gz RMILECCAEXURBQ-ONGXEEELSA-N 1 0 312.211 1.866 10 0 DDAERO O=C1C(=O)N(CN2CC[N@@H+]3CCC[C@H]3C2)c2cccc(Cl)c21 ZINC000246883064 698356509 /nfs/dbraw/zinc/35/65/09/698356509.db2.gz BCJYJJJMHOODSE-NSHDSACASA-N 1 0 319.792 1.607 10 0 DDAERO CC(=O)N[C@H](CC(=O)N[C@@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000248872902 698382312 /nfs/dbraw/zinc/38/23/12/698382312.db2.gz PKJWPMNBKSMHBM-APHBMKBZSA-N 1 0 303.406 1.511 10 0 DDAERO CCCc1ccc(N2C[C@@H](C(=O)NC[C@@H](C)[NH2+]C)CC2=O)cc1 ZINC000261661581 698431314 /nfs/dbraw/zinc/43/13/14/698431314.db2.gz FZABMNDXTNSILX-HIFRSBDPSA-N 1 0 317.433 1.716 10 0 DDAERO [NH3+]C1(C(=O)Nc2cnn(-c3ccccc3F)c2)CCOCC1 ZINC000261922558 698444930 /nfs/dbraw/zinc/44/49/30/698444930.db2.gz VFWVCCJRISNRHY-UHFFFAOYSA-N 1 0 304.325 1.458 10 0 DDAERO COc1ccccc1-c1noc([C@@H](C)NC(=O)C[C@H](C)[NH3+])n1 ZINC000261923783 698445519 /nfs/dbraw/zinc/44/55/19/698445519.db2.gz XYRYIZUFUJQWNE-VHSXEESVSA-N 1 0 304.350 1.660 10 0 DDAERO C[C@H]([NH3+])[C@@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 ZINC000262552037 698474443 /nfs/dbraw/zinc/47/44/43/698474443.db2.gz SPIMTNFNHOEQKD-DTWKUNHWSA-N 1 0 314.315 1.707 10 0 DDAERO C[C@H](CCn1cccn1)[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263504731 698510400 /nfs/dbraw/zinc/51/04/00/698510400.db2.gz LRPBJTCBHREOQL-IUDNXUCKSA-N 1 0 320.437 1.579 10 0 DDAERO Cc1c(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cnn1C ZINC000702763704 699232462 /nfs/dbraw/zinc/23/24/62/699232462.db2.gz IPYMQGACHNEBPT-ZIAGYGMSSA-N 1 0 324.425 1.046 10 0 DDAERO CCc1cc(NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cc[nH+]1 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CC1(C)C[NH2+]CCN1CC(=O)Nc1ccc(F)c(F)c1F ZINC000088146965 185240625 /nfs/dbraw/zinc/24/06/25/185240625.db2.gz XOBYCGHODNPDCJ-UHFFFAOYSA-N 1 0 301.312 1.726 10 0 DDAERO CCc1nn(C)cc1C[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000180078609 539235320 /nfs/dbraw/zinc/23/53/20/539235320.db2.gz GQXAYBSQRBBIDY-UHFFFAOYSA-N 1 0 314.437 1.793 10 0 DDAERO COCCN(C(=O)C[C@H](C[NH3+])CC(C)C)[C@@H]1CCSC1 ZINC000088277223 185244636 /nfs/dbraw/zinc/24/46/36/185244636.db2.gz RNJJNIMKBGVZSB-ZIAGYGMSSA-N 1 0 302.484 1.978 10 0 DDAERO CC(C)[NH2+]CCS(=O)(=O)N1CCC(C(F)(F)F)CC1 ZINC000088433070 185249768 /nfs/dbraw/zinc/24/97/68/185249768.db2.gz CDACYQCDSMXVJR-UHFFFAOYSA-N 1 0 302.362 1.589 10 0 DDAERO C[NH2+]Cc1ncnn1Cc1cc(OC)ccc1Br ZINC000088628708 185260145 /nfs/dbraw/zinc/26/01/45/185260145.db2.gz AILNYOUFOZDFKN-UHFFFAOYSA-N 1 0 311.183 1.817 10 0 DDAERO Cc1nnc2sc(C(=O)N3CCC[C@H]([NH3+])C3)c(N)c2c1C ZINC000088641268 185260736 /nfs/dbraw/zinc/26/07/36/185260736.db2.gz XWBMKOVSSVADQB-VIFPVBQESA-N 1 0 305.407 1.454 10 0 DDAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1sc2nccnc2c1N ZINC000088643237 185261178 /nfs/dbraw/zinc/26/11/78/185261178.db2.gz KZCPMZHWZIBXKQ-SECBINFHSA-N 1 0 305.407 1.440 10 0 DDAERO CC[C@H]([NH2+]C)c1cccc(S(=O)(=O)NCc2c[nH]cn2)c1 ZINC000088751570 185263879 /nfs/dbraw/zinc/26/38/79/185263879.db2.gz ZEYLVJXJWIIQRC-AWEZNQCLSA-N 1 0 308.407 1.559 10 0 DDAERO C[NH2+][C@@H]1CCC2(C[C@@H]1S(=O)(=O)C1CCCCC1)OCCO2 ZINC000081978911 192349269 /nfs/dbraw/zinc/34/92/69/192349269.db2.gz AKKNTXUOPDKMTQ-KGLIPLIRSA-N 1 0 317.451 1.618 10 0 DDAERO CC[NH2+][C@H]1CCC2(C[C@H]1S(=O)(=O)C1CCCC1)OCCO2 ZINC000081988466 192350226 /nfs/dbraw/zinc/35/02/26/192350226.db2.gz OWQHUOCIPHNBRS-UONOGXRCSA-N 1 0 317.451 1.618 10 0 DDAERO CCc1nn(C)c(CN(CC)C2C[NH2+]C2)c1Br ZINC000090291794 185289720 /nfs/dbraw/zinc/28/97/20/185289720.db2.gz GSWLDBVEIYNLMK-UHFFFAOYSA-N 1 0 301.232 1.539 10 0 DDAERO Brc1ccc(CN2CC(N3CC[NH2+]CC3)C2)cc1 ZINC000090308392 185290145 /nfs/dbraw/zinc/29/01/45/185290145.db2.gz ZCSHQSZFQOJYIN-UHFFFAOYSA-N 1 0 310.239 1.539 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NC(=O)c1cc(Br)cn1C ZINC000090311857 185290594 /nfs/dbraw/zinc/29/05/94/185290594.db2.gz RBCKEPWPQYFYRM-IEBDPFPHSA-N 1 0 316.199 1.022 10 0 DDAERO O=S(=O)(c1ccc(F)c(Cl)c1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090321954 185290940 /nfs/dbraw/zinc/29/09/40/185290940.db2.gz GKXDOKZMEPYDSB-RKDXNWHRSA-N 1 0 304.774 1.319 10 0 DDAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cncc(Br)c1 ZINC000090330592 185291189 /nfs/dbraw/zinc/29/11/89/185291189.db2.gz AHQLTOVGGXPSQR-KGYLQXTDSA-N 1 0 324.222 1.914 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1S(=O)(=O)c1ccccc1Cl ZINC000090336919 185291960 /nfs/dbraw/zinc/29/19/60/185291960.db2.gz ZGDYXZIEKNXYOA-WDEREUQCSA-N 1 0 314.838 1.959 10 0 DDAERO COCCC[S@@](=O)C[C@H]([NH3+])c1ccc(OC)cc1OC ZINC000081998137 192352765 /nfs/dbraw/zinc/35/27/65/192352765.db2.gz ANIRVTKGNUEVSV-RBZFPXEDSA-N 1 0 301.408 1.489 10 0 DDAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000090489818 185299047 /nfs/dbraw/zinc/29/90/47/185299047.db2.gz ZNKPTJHHZJMJMY-WCQYABFASA-N 1 0 311.813 1.969 10 0 DDAERO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H]1COC[C@H]1[NH3+] ZINC000090383913 185293825 /nfs/dbraw/zinc/29/38/25/185293825.db2.gz JUWUMEQZJVWGQZ-WDEREUQCSA-N 1 0 312.391 1.399 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000090436596 185296403 /nfs/dbraw/zinc/29/64/03/185296403.db2.gz WPVWKCNLPWMDGL-UWVGGRQHSA-N 1 0 312.391 1.324 10 0 DDAERO C[C@]1(C(=O)Nc2cc3c(cc2Cl)NC(=O)C3)COC[C@@H]1[NH3+] ZINC000090586717 185305072 /nfs/dbraw/zinc/30/50/72/185305072.db2.gz BFJAVDQNMOVMJY-FZMZJTMJSA-N 1 0 309.753 1.137 10 0 DDAERO CN(Cc1ccc(Br)o1)C(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090594257 185305914 /nfs/dbraw/zinc/30/59/14/185305914.db2.gz RGNMFGHEBMSRHF-BXKDBHETSA-N 1 0 317.183 1.364 10 0 DDAERO Cc1noc(C)c1[C@@H](C)NS(=O)(=O)CCC[NH2+]C1CC1 ZINC000092344118 185313336 /nfs/dbraw/zinc/31/33/36/185313336.db2.gz NVYCOVQZLZCQRX-SNVBAGLBSA-N 1 0 301.412 1.414 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc(S(C)(=O)=O)cc1N ZINC000092624151 185329608 /nfs/dbraw/zinc/32/96/08/185329608.db2.gz DEPRKGRVMLHDPU-LBPRGKRZSA-N 1 0 311.451 1.593 10 0 DDAERO CCn1cnc(S(=O)(=O)N(CCC[NH3+])c2ccccc2)c1 ZINC000092889754 185347945 /nfs/dbraw/zinc/34/79/45/185347945.db2.gz JPPWLDPMAUHHPU-UHFFFAOYSA-N 1 0 308.407 1.447 10 0 DDAERO CC[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cn(CC)cn1 ZINC000092910941 185348562 /nfs/dbraw/zinc/34/85/62/185348562.db2.gz XOBZPQDAAVZHML-GFCCVEGCSA-N 1 0 300.428 1.056 10 0 DDAERO C[NH2+]C[C@@H]1CCN(c2ccc(I)cn2)C1 ZINC000420179581 529993022 /nfs/dbraw/zinc/99/30/22/529993022.db2.gz BWWCZWMWWTUMND-VIFPVBQESA-N 1 0 317.174 1.732 10 0 DDAERO CCC[NH2+][C@H](C)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 ZINC000111713546 185628850 /nfs/dbraw/zinc/62/88/50/185628850.db2.gz FWTJYWJIVYLAMI-CHWSQXEVSA-N 1 0 314.455 1.209 10 0 DDAERO CCCCS(=O)(=O)N[C@@H]1CC[NH2+]CC[C@@H]1C(F)(F)F ZINC000725262937 539569804 /nfs/dbraw/zinc/56/98/04/539569804.db2.gz UPTOSKLYKHBRHO-VHSXEESVSA-N 1 0 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DDAERO C[NH2+][C@]1(CO)CCC[C@H](Oc2cccc(S(C)(=O)=O)c2)C1 ZINC000093785837 193307692 /nfs/dbraw/zinc/30/76/92/193307692.db2.gz UUJCFVWHZZSESS-DZGCQCFKSA-N 1 0 313.419 1.362 10 0 DDAERO Cc1c([C@H](C[NH3+])N2CCN(c3nccs3)CC2)cnn1C ZINC000093650458 193284533 /nfs/dbraw/zinc/28/45/33/193284533.db2.gz LAJAZIKOBUKVSW-ZDUSSCGKSA-N 1 0 306.439 1.007 10 0 DDAERO O=C1CC[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)C(=O)N1 ZINC000093982550 193334273 /nfs/dbraw/zinc/33/42/73/193334273.db2.gz GOTAVERHUBNSCU-SNVBAGLBSA-N 1 0 315.142 1.483 10 0 DDAERO COc1ccc(C)cc1S(=O)(=O)N(C)CC1CC[NH2+]CC1 ZINC000094023728 193339559 /nfs/dbraw/zinc/33/95/59/193339559.db2.gz KJMRDUPJVAUNFT-UHFFFAOYSA-N 1 0 312.435 1.624 10 0 DDAERO CCCN[C@]1(C(=O)OC)CC[C@@H]([N@H+](CC)CCOCC)C1 ZINC000093830696 193314541 /nfs/dbraw/zinc/31/45/41/193314541.db2.gz KJFGHJCHDSQKST-GDBMZVCRSA-N 1 0 300.443 1.809 10 0 DDAERO CC[NH2+][C@@]1(C(N)=O)CC[C@H](Sc2nnc(N(C)C)s2)C1 ZINC000093853714 193320053 /nfs/dbraw/zinc/32/00/53/193320053.db2.gz 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C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000173499263 248339508 /nfs/dbraw/zinc/33/95/08/248339508.db2.gz LGWRZTKFJNFVQU-KFWWJZLASA-N 1 0 316.401 1.724 10 0 DDAERO Cn1nc([C@@H]2CCCO2)cc1NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000333371327 248972978 /nfs/dbraw/zinc/97/29/78/248972978.db2.gz ZCHBEVVPIVFABQ-DYEKYZERSA-N 1 0 321.425 1.876 10 0 DDAERO C[C@@H](CNC(=O)c1ccc(Br)c(N)c1)[NH+](C)C ZINC000040338992 183054667 /nfs/dbraw/zinc/05/46/67/183054667.db2.gz DJWDATCEXPUNQB-QMMMGPOBSA-N 1 0 300.200 1.711 10 0 DDAERO O=C([C@H]1COCCN1CC1CCC1)N1CC[C@H](O)CC12CCC2 ZINC000333560718 249023700 /nfs/dbraw/zinc/02/37/00/249023700.db2.gz KWRSBRLMPMJFRH-JKSUJKDBSA-N 1 0 322.449 1.393 10 0 DDAERO O=C([C@H]1CCCN1Cc1ccc(Cl)nc1)N1CC[NH2+]CC1 ZINC000040508443 183086070 /nfs/dbraw/zinc/08/60/70/183086070.db2.gz YJDCTYHJRRUOEN-CYBMUJFWSA-N 1 0 308.813 1.131 10 0 DDAERO COc1cc(NC(=O)[C@@H]2C[C@H](OC)C[NH2+]2)c(OC)cc1Cl ZINC000040629988 183111180 /nfs/dbraw/zinc/11/11/80/183111180.db2.gz 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183255426 /nfs/dbraw/zinc/25/54/26/183255426.db2.gz WSPOWVOWCHFXHJ-UHFFFAOYSA-N 1 0 312.435 1.033 10 0 DDAERO COCC[N@H+](CCC(=O)N(C)CCC(N)=S)[C@@H](C)C1CC1 ZINC000042679805 183295150 /nfs/dbraw/zinc/29/51/50/183295150.db2.gz RRGGYEFNMDDSAT-LBPRGKRZSA-N 1 0 315.483 1.258 10 0 DDAERO CC[C@@H]([NH3+])[C@@H](c1ccc(F)cc1)N1CCS(=O)(=O)CC1 ZINC000042914415 183318402 /nfs/dbraw/zinc/31/84/02/183318402.db2.gz LDZQVOPVVJPIFV-ZIAGYGMSSA-N 1 0 300.399 1.335 10 0 DDAERO C[C@@H]([NH3+])[C@H](c1cc(Br)cs1)N1CCNC(=O)C1 ZINC000043284518 183350484 /nfs/dbraw/zinc/35/04/84/183350484.db2.gz JDNSPLCDGKNUQB-RDDDGLTNSA-N 1 0 318.240 1.331 10 0 DDAERO COc1cc(OC)c([C@@H]([NH3+])[C@H]2CCS(=O)(=O)C2)c(OC)c1 ZINC000043300088 183352217 /nfs/dbraw/zinc/35/22/17/183352217.db2.gz NJYNOZFTRVHQNS-XPTSAGLGSA-N 1 0 315.391 1.147 10 0 DDAERO COc1ccc([C@@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)c(OC)c1OC ZINC000043300002 183352436 /nfs/dbraw/zinc/35/24/36/183352436.db2.gz FADDDIRZHUGENZ-SKDRFNHKSA-N 1 0 315.391 1.147 10 0 DDAERO CN(c1nc2c(cc1C[NH3+])CCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000043409736 183359437 /nfs/dbraw/zinc/35/94/37/183359437.db2.gz IZAHVDMMASEQRE-CYBMUJFWSA-N 1 0 309.435 1.042 10 0 DDAERO COc1ccc(O)c(C(=O)Nc2nc3c(s2)C[NH2+]CC3)c1 ZINC000043327872 183355518 /nfs/dbraw/zinc/35/55/18/183355518.db2.gz VMGNRXVQAAXEID-UHFFFAOYSA-N 1 0 305.359 1.755 10 0 DDAERO CC[NH2+]Cc1ccc(OCC(=O)NCCOC)c(Cl)c1 ZINC000043478976 183365556 /nfs/dbraw/zinc/36/55/56/183365556.db2.gz GEKCQOZTYHDNLQ-UHFFFAOYSA-N 1 0 300.786 1.591 10 0 DDAERO COCc1cc(NC2CC[NH2+]CC2)nc(-n2nc(C)cc2C)n1 ZINC000045947440 183538524 /nfs/dbraw/zinc/53/85/24/183538524.db2.gz XZXYPTQEWRBLRW-UHFFFAOYSA-N 1 0 316.409 1.589 10 0 DDAERO COCCn1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000105031136 194066120 /nfs/dbraw/zinc/06/61/20/194066120.db2.gz HTXNFFWJOQDJLN-CYBMUJFWSA-N 1 0 307.398 1.232 10 0 DDAERO O=C(NCc1cccc2c1OCO2)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105173224 194082135 /nfs/dbraw/zinc/08/21/35/194082135.db2.gz FXHRYVPCULUBTP-CQSZACIVSA-N 1 0 317.389 1.795 10 0 DDAERO CC[C@@H]1CN(C[C@H](O)COc2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000105826628 194138276 /nfs/dbraw/zinc/13/82/76/194138276.db2.gz QUKIKMAYUOJERN-ZACQAIPSSA-N 1 0 322.449 1.203 10 0 DDAERO CCN(CC)C(=O)[C@@H](C)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105805379 194133219 /nfs/dbraw/zinc/13/32/19/194133219.db2.gz HJNMVFGQGOSOEG-CYBMUJFWSA-N 1 0 305.426 1.610 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2nccn2C(F)F)C[C@@H]1C ZINC000105835124 194141524 /nfs/dbraw/zinc/14/15/24/194141524.db2.gz VLMWLGJYLITISS-LBPRGKRZSA-N 1 0 302.369 1.821 10 0 DDAERO COCC[N@@H+]1CCN(C[C@H](O)COc2ccccc2)C[C@@H]1C ZINC000105833224 194142231 /nfs/dbraw/zinc/14/22/31/194142231.db2.gz MWIDTHYIFGSDAV-HOTGVXAUSA-N 1 0 308.422 1.079 10 0 DDAERO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCc2ncnn2C1)c1ccccc1 ZINC000105870708 194151182 /nfs/dbraw/zinc/15/11/82/194151182.db2.gz SLQASDLPVJWBAV-VNHYZAJKSA-N 1 0 313.405 1.448 10 0 DDAERO COCC[N@@H+]1CCN(Cc2noc(-c3ccsc3)n2)C[C@H]1C ZINC000105913772 194169120 /nfs/dbraw/zinc/16/91/20/194169120.db2.gz YBDALZFOMPQHGY-GFCCVEGCSA-N 1 0 322.434 1.951 10 0 DDAERO Cc1ccc(NC(=O)[C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)c(C)c1 ZINC000105932726 194173533 /nfs/dbraw/zinc/17/35/33/194173533.db2.gz BVANXKADGWRJJC-HUUCEWRRSA-N 1 0 305.422 1.551 10 0 DDAERO CSc1cccc(NC(=O)[C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)c1 ZINC000105932826 194173551 /nfs/dbraw/zinc/17/35/51/194173551.db2.gz AMZDYPKNWWEVQW-GXTWGEPZSA-N 1 0 323.462 1.656 10 0 DDAERO CC[C@@H]1CN(Cc2cccc(C(=O)OC)c2)CC[N@@H+]1C[C@@H](C)O ZINC000106103959 194185388 /nfs/dbraw/zinc/18/53/88/194185388.db2.gz WBGSSQBZUZWXOD-RHSMWYFYSA-N 1 0 320.433 1.750 10 0 DDAERO COc1ccc(NS(=O)(=O)C[C@@H]2CCC[NH2+]2)cc1Cl ZINC000049632526 183750050 /nfs/dbraw/zinc/75/00/50/183750050.db2.gz LPRJXJIMXDMIAH-JTQLQIEISA-N 1 0 304.799 1.842 10 0 DDAERO Cc1nc(C)c([C@H](C)NS(=O)(=O)[C@H]2CCC[NH2+]C2)s1 ZINC000049646249 183751472 /nfs/dbraw/zinc/75/14/72/183751472.db2.gz LKGKKZJXIUVIPP-ONGXEEELSA-N 1 0 303.453 1.492 10 0 DDAERO CCCN([C@@](C)(CC)C[NH3+])S(=O)(=O)c1c(C)nn(C)c1C ZINC000050252520 183779781 /nfs/dbraw/zinc/77/97/81/183779781.db2.gz WGSAQYGJFYIHCF-AWEZNQCLSA-N 1 0 316.471 1.565 10 0 DDAERO C[C@H](C(N)=S)[NH+]1CCN(c2nncc3ccccc32)CC1 ZINC000109471203 194266481 /nfs/dbraw/zinc/26/64/81/194266481.db2.gz KDTLQHSKZUYGIL-LLVKDONJSA-N 1 0 301.419 1.426 10 0 DDAERO Cc1ccc(CC(=O)N2CC[NH+]([C@H](C)C(N)=S)CC2)cc1 ZINC000109458917 194265804 /nfs/dbraw/zinc/26/58/04/194265804.db2.gz CCPSJNAEXCMQBQ-CYBMUJFWSA-N 1 0 305.447 1.356 10 0 DDAERO COc1ccc(Cl)cc1-c1nc(CN2CC[NH2+]CC2)no1 ZINC000109473230 194266880 /nfs/dbraw/zinc/26/68/80/194266880.db2.gz RJHLNEWCDVLVAR-UHFFFAOYSA-N 1 0 308.769 1.804 10 0 DDAERO CC(C)C[NH2+]C[C@H](Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000052952214 183882019 /nfs/dbraw/zinc/88/20/19/183882019.db2.gz CJFDBAWURFOTNW-GJZGRUSLSA-N 1 0 313.467 1.259 10 0 DDAERO FC(F)(F)CN1CCN(CC[NH2+]Cc2ccccc2)CC1 ZINC000053375116 183900384 /nfs/dbraw/zinc/90/03/84/183900384.db2.gz IYWWHMBHTUGXRZ-UHFFFAOYSA-N 1 0 301.356 1.956 10 0 DDAERO CCOCCC[NH2+]CCOc1cccc(S(C)(=O)=O)c1 ZINC000053589306 183907368 /nfs/dbraw/zinc/90/73/68/183907368.db2.gz KTFVLWBUUZYNKS-UHFFFAOYSA-N 1 0 301.408 1.485 10 0 DDAERO NC(=S)C[NH+]1CCC(NC(=O)c2cc(F)ccc2F)CC1 ZINC000110825996 194362245 /nfs/dbraw/zinc/36/22/45/194362245.db2.gz CQAAEZLUVBHPPL-UHFFFAOYSA-N 1 0 313.373 1.445 10 0 DDAERO C[C@H](C[NH3+])C(=O)Nc1cc(NS(C)(=O)=O)ccc1Cl ZINC000054339106 183935545 /nfs/dbraw/zinc/93/55/45/183935545.db2.gz WWQFJFIDNIZXDC-SSDOTTSWSA-N 1 0 305.787 1.245 10 0 DDAERO Cc1ccc(S(=O)(=O)N(C)CC[NH+](C)C)c2c1NCCC2 ZINC000111139475 194394333 /nfs/dbraw/zinc/39/43/33/194394333.db2.gz AQBKNABJRYEAKU-UHFFFAOYSA-N 1 0 311.451 1.535 10 0 DDAERO CCOCCN(CC)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000111125668 194393466 /nfs/dbraw/zinc/39/34/66/194393466.db2.gz YDFCUXCLTMZKAX-UHFFFAOYSA-N 1 0 306.453 1.296 10 0 DDAERO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000189878922 284881756 /nfs/dbraw/zinc/88/17/56/284881756.db2.gz ILRDJYDEURPKDV-CYBMUJFWSA-N 1 0 308.430 1.405 10 0 DDAERO C[NH2+][C@@H](Cc1ccc(F)cc1Br)CS(C)(=O)=O ZINC000060705650 184154552 /nfs/dbraw/zinc/15/45/52/184154552.db2.gz FPYILFXJNFMNEE-JTQLQIEISA-N 1 0 324.215 1.763 10 0 DDAERO O=S(=O)(C[C@H]1CCCC[NH2+]1)Nc1cc(F)c(F)cc1F ZINC000061094750 184161881 /nfs/dbraw/zinc/16/18/81/184161881.db2.gz ZBAKWYJDFAGLTL-MRVPVSSYSA-N 1 0 308.325 1.988 10 0 DDAERO CNS(=O)(=O)c1ccc(NCc2ccccc2C[NH3+])cc1 ZINC000061841455 184189683 /nfs/dbraw/zinc/18/96/83/184189683.db2.gz YKFBDYIWJSLVNK-UHFFFAOYSA-N 1 0 305.403 1.666 10 0 DDAERO CCC[NH2+][C@H]1CCCCC[C@@H]1N1CCN(S(C)(=O)=O)CC1 ZINC000062083989 184204966 /nfs/dbraw/zinc/20/49/66/184204966.db2.gz AWHKMUPIYJGYBU-GJZGRUSLSA-N 1 0 317.499 1.265 10 0 DDAERO CC[C@@](C)(C[NH2+]C(C)(C)C)CN1CCN(S(C)(=O)=O)CC1 ZINC000062096218 184206073 /nfs/dbraw/zinc/20/60/73/184206073.db2.gz VREYLFFNUIZJHI-HNNXBMFYSA-N 1 0 319.515 1.368 10 0 DDAERO CC[C@H]([NH3+])Cc1ccc(O[C@H](C)C(N)=O)c(Br)c1 ZINC000062705221 184248984 /nfs/dbraw/zinc/24/89/84/184248984.db2.gz YMQIZYJVBJJPHP-SCZZXKLOSA-N 1 0 315.211 1.982 10 0 DDAERO C[C@H]1CCCCN1S(=O)(=O)N1CC[NH2+]Cc2ccccc21 ZINC000062818686 184254176 /nfs/dbraw/zinc/25/41/76/184254176.db2.gz XBJPBMFWRHRQLH-ZDUSSCGKSA-N 1 0 309.435 1.715 10 0 DDAERO C[C@]1(C(=O)Nc2ccccc2SCC(N)=O)CCC[NH2+]C1 ZINC000062855482 184256641 /nfs/dbraw/zinc/25/66/41/184256641.db2.gz AZYIMMJWZJGBAL-HNNXBMFYSA-N 1 0 307.419 1.592 10 0 DDAERO CC[C@]1(c2nc3cc(S(C)(=O)=O)ccc3[nH]2)CCC[NH2+]C1 ZINC000062869264 184257640 /nfs/dbraw/zinc/25/76/40/184257640.db2.gz VQHFTVNQKYZOQC-HNNXBMFYSA-N 1 0 307.419 1.998 10 0 DDAERO [NH3+][C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000063213666 184278752 /nfs/dbraw/zinc/27/87/52/184278752.db2.gz VSSKFZFMQBXQCA-KGLIPLIRSA-N 1 0 310.419 1.560 10 0 DDAERO [NH3+][C@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000063213847 184279049 /nfs/dbraw/zinc/27/90/49/184279049.db2.gz ZVHZNYKGODKSFE-QWHCGFSZSA-N 1 0 304.362 1.903 10 0 DDAERO Cc1c(N)cccc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062975731 184264375 /nfs/dbraw/zinc/26/43/75/184264375.db2.gz UWDCZBHIOWTYCN-ZDUSSCGKSA-N 1 0 309.435 1.436 10 0 DDAERO CCCOc1ccc(C[NH3+])c(OCCCS(C)(=O)=O)c1 ZINC000063014389 184266600 /nfs/dbraw/zinc/26/66/00/184266600.db2.gz YDYJDRDOIYDBIF-UHFFFAOYSA-N 1 0 301.408 1.748 10 0 DDAERO Cc1cccc(N)c1S(=O)(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063120286 184271808 /nfs/dbraw/zinc/27/18/08/184271808.db2.gz HVTKUVTUKBABAF-UHFFFAOYSA-N 1 0 311.451 1.540 10 0 DDAERO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+]CCOC)c1 ZINC000066224572 184397646 /nfs/dbraw/zinc/39/76/46/184397646.db2.gz JKRQUHRKUPGXQO-UHFFFAOYSA-N 1 0 307.394 1.343 10 0 DDAERO CCOC(=O)CCCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000119964812 195070660 /nfs/dbraw/zinc/07/06/60/195070660.db2.gz IZYCDMKVLXAAEP-HNNXBMFYSA-N 1 0 321.421 1.932 10 0 DDAERO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CCCc2ccccc21 ZINC000119975408 195073187 /nfs/dbraw/zinc/07/31/87/195073187.db2.gz MDBDLMBVHKDSCT-NVXWUHKLSA-N 1 0 305.422 1.676 10 0 DDAERO COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H](C)[NH3+] ZINC000157322566 197179028 /nfs/dbraw/zinc/17/90/28/197179028.db2.gz HOBGUGHRVDZCFE-VIFPVBQESA-N 1 0 300.305 1.204 10 0 DDAERO CCC[C@H](C(=O)N(C)CC(C)(C)CN1CCOCC1)[NH+](C)C ZINC000120425953 195164299 /nfs/dbraw/zinc/16/42/99/195164299.db2.gz PGKCQWMGHPFPMH-OAHLLOKOSA-N 1 0 313.486 1.534 10 0 DDAERO COCC[N@@H+]1CCN(Cc2ccc(OC)c(OC)c2)C[C@H]1C ZINC000120830995 195246863 /nfs/dbraw/zinc/24/68/63/195246863.db2.gz ALXZTKOWQUMIBG-CQSZACIVSA-N 1 0 308.422 1.856 10 0 DDAERO COCCOc1ccc(CN2CC[N@H+](CCOC)[C@@H](C)C2)cc1 ZINC000120846273 195248973 /nfs/dbraw/zinc/24/89/73/195248973.db2.gz UGJZPXOTIGELFL-INIZCTEOSA-N 1 0 322.449 1.864 10 0 DDAERO C[NH+](C)CC(=O)N1CC[C@@H]2OCC[C@]2(COc2ccccn2)C1 ZINC000247980409 257112947 /nfs/dbraw/zinc/11/29/47/257112947.db2.gz JKNBFCTYLZIGRX-WMLDXEAASA-N 1 0 319.405 1.030 10 0 DDAERO COCCNC(=O)[C@@H]1C[C@H]2CC[N@H+](Cc3ccsc3)C[C@@H]2O1 ZINC000247835844 257116151 /nfs/dbraw/zinc/11/61/51/257116151.db2.gz JGMMNAZLISVLSJ-ILXRZTDVSA-N 1 0 324.446 1.490 10 0 DDAERO c1cnc(N2C[C@@H]3CCN(CC[NH+]4CCCC4)C[C@@H]3C2)cn1 ZINC000253596599 257105767 /nfs/dbraw/zinc/10/57/67/257105767.db2.gz TVOFTJBNENSVFK-JKSUJKDBSA-N 1 0 301.438 1.331 10 0 DDAERO C[C@H](CC[NH+](C)C)Nc1nc(Cl)nc(N2CCOCC2)n1 ZINC000061539548 134802096 /nfs/dbraw/zinc/80/20/96/134802096.db2.gz YVFTYGOQLAWGBC-SNVBAGLBSA-N 1 0 314.821 1.114 10 0 DDAERO CCO[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C12CCC2 ZINC000246158100 286261391 /nfs/dbraw/zinc/26/13/91/286261391.db2.gz KPPJRVSPCKHMGK-RRFJBIMHSA-N 1 0 307.438 1.824 10 0 DDAERO [NH3+][C@H]1CCN(c2cc(-c3ccccn3)nc(-c3cnccn3)n2)C1 ZINC000070455903 406817247 /nfs/dbraw/zinc/81/72/47/406817247.db2.gz WRZIUNMUTKFHNN-LBPRGKRZSA-N 1 0 319.372 1.533 10 0 DDAERO C[NH+](C)C[C@H](NC(=O)NCCCn1cccn1)c1ccccc1 ZINC000048217197 407090765 /nfs/dbraw/zinc/09/07/65/407090765.db2.gz DTQMKCWSDMLTDC-INIZCTEOSA-N 1 0 315.421 1.875 10 0 DDAERO Cc1ccc([C@H](C)NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)o1 ZINC000049173108 407116734 /nfs/dbraw/zinc/11/67/34/407116734.db2.gz AQBPYQGVFUXKQE-UONOGXRCSA-N 1 0 309.410 1.795 10 0 DDAERO Cc1ccc([C@@H](C)NC(=O)NC[C@H](O)C[NH+]2CCCCC2)o1 ZINC000049173102 407117022 /nfs/dbraw/zinc/11/70/22/407117022.db2.gz AQBPYQGVFUXKQE-KGLIPLIRSA-N 1 0 309.410 1.795 10 0 DDAERO C[C@@H]1CN(C(=O)c2cncc(Br)c2)C[C@@H]1[NH+](C)C ZINC000089710106 407145647 /nfs/dbraw/zinc/14/56/47/407145647.db2.gz SMTCGJVHXZJJSF-SKDRFNHKSA-N 1 0 312.211 1.866 10 0 DDAERO [NH3+]C[C@H]1CCCCN1S(=O)(=O)c1nc2ccccc2s1 ZINC000095072477 407205603 /nfs/dbraw/zinc/20/56/03/407205603.db2.gz BPDPQADGEHRNOC-SNVBAGLBSA-N 1 0 311.432 1.798 10 0 DDAERO COc1ccc(-n2c(CN3CC[NH2+]CC3)nc3cccnc32)cc1 ZINC000097664128 407300791 /nfs/dbraw/zinc/30/07/91/407300791.db2.gz FXROETSNMXIWDQ-UHFFFAOYSA-N 1 0 323.400 1.834 10 0 DDAERO C[N@H+](CC(=O)NC1CCCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000105802894 407355707 /nfs/dbraw/zinc/35/57/07/407355707.db2.gz MTGOZRYOAQWLSV-HNNXBMFYSA-N 1 0 317.437 1.436 10 0 DDAERO C[NH+](C)C[C@H]1CN(Cc2csc(-c3ccccn3)n2)CCO1 ZINC000111690697 407414807 /nfs/dbraw/zinc/41/48/07/407414807.db2.gz FFRICKIBFZGOQZ-AWEZNQCLSA-N 1 0 318.446 1.968 10 0 DDAERO C[NH+]1CCC2(CN(C(=O)C(C)(C)C)C[C@H]2C(=O)NC2CC2)CC1 ZINC000257175466 407481440 /nfs/dbraw/zinc/48/14/40/407481440.db2.gz PIOCHYDAXFGHCP-AWEZNQCLSA-N 1 0 321.465 1.482 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1cccnc1Cl ZINC000113267460 407485860 /nfs/dbraw/zinc/48/58/60/407485860.db2.gz VCRYEMVCCHPSIZ-VXGBXAGGSA-N 1 0 308.813 1.842 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N1CCc2ccccc2C1 ZINC000113271214 407486166 /nfs/dbraw/zinc/48/61/66/407486166.db2.gz KJAQKBJLRODPBW-CRAIPNDOSA-N 1 0 313.445 1.740 10 0 DDAERO CCn1c(C)nnc1CN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000261612016 407551452 /nfs/dbraw/zinc/55/14/52/407551452.db2.gz CBWOHWHFELNSEN-OAHLLOKOSA-N 1 0 303.385 1.892 10 0 DDAERO COC(=O)c1cccc(OCCN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000178623520 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C[C@@H]1[C@H]([NH3+])CCN1S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000261758632 698436727 /nfs/dbraw/zinc/43/67/27/698436727.db2.gz USFQOYABMXXOQS-LDYMZIIASA-N 1 0 324.324 1.695 10 0 DDAERO C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)C1([NH3+])CCOCC1 ZINC000261782395 698437130 /nfs/dbraw/zinc/43/71/30/698437130.db2.gz HPKKMSIJFCUPRP-HOCLYGCPSA-N 1 0 302.418 1.974 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(SC(F)(F)F)cc1 ZINC000262202595 698459214 /nfs/dbraw/zinc/45/92/14/698459214.db2.gz IGJHFANDTIDRET-KOLCDFICSA-N 1 0 320.336 1.609 10 0 DDAERO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC000309776495 698667356 /nfs/dbraw/zinc/66/73/56/698667356.db2.gz CLWBSHPZDDLLQF-JHJVBQTASA-N 1 0 313.442 1.889 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccnc2[nH]c(C)nc21 ZINC000333181947 698762591 /nfs/dbraw/zinc/76/25/91/698762591.db2.gz SNIWTZGBEAPXDO-GFCCVEGCSA-N 1 0 301.394 1.823 10 0 DDAERO Cc1cnn(C)c1C[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702838641 699233794 /nfs/dbraw/zinc/23/37/94/699233794.db2.gz MPVVPIIYRYVHBL-JSGCOSHPSA-N 1 0 324.425 1.046 10 0 DDAERO COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702851068 699234893 /nfs/dbraw/zinc/23/48/93/699234893.db2.gz MAKYKWLCJMUTKE-XQQFMLRXSA-N 1 0 316.442 1.617 10 0 DDAERO C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)[C@H]1CCCO1 ZINC000705673048 699241714 /nfs/dbraw/zinc/24/17/14/699241714.db2.gz OOLGOLVKBGUKRK-REWJHTLYSA-N 1 0 314.426 1.371 10 0 DDAERO COC1(OC)CC[C@H]1[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000710954621 699255848 /nfs/dbraw/zinc/25/58/48/699255848.db2.gz BBPMQWWQEAATMO-NWDGAFQWSA-N 1 0 302.415 1.983 10 0 DDAERO CN(Cc1cn(C)nc1Br)C[C@@H]1CC[N@H+](C)C1 ZINC000713863858 699267919 /nfs/dbraw/zinc/26/79/19/699267919.db2.gz SJOITZMQKMSHSM-SNVBAGLBSA-N 1 0 301.232 1.566 10 0 DDAERO C[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000719487187 699302380 /nfs/dbraw/zinc/30/23/80/699302380.db2.gz SVWPDUYAQKWXMB-PBHICJAKSA-N 1 0 306.406 1.152 10 0 DDAERO C[C@]1(C(=O)NCCOC(F)(F)C(F)(F)F)CCCC[NH2+]1 ZINC000720296499 699304822 /nfs/dbraw/zinc/30/48/22/699304822.db2.gz GMXYVWWSERCUNQ-SECBINFHSA-N 1 0 304.259 1.807 10 0 DDAERO CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H](O)COCc1ccccc1 ZINC000720388004 699305663 /nfs/dbraw/zinc/30/56/63/699305663.db2.gz AFAHZAPLMAXEAV-FGTMMUONSA-N 1 0 304.434 1.733 10 0 DDAERO CNC(=O)c1nc(C2CC[NH+]([C@@H](C)c3ccncc3)CC2)n[nH]1 ZINC000818241246 702613816 /nfs/dbraw/zinc/61/38/16/702613816.db2.gz FHSJLPCMPMECLW-NSHDSACASA-N 1 0 314.393 1.500 10 0 DDAERO [NH3+][C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccc3nccn3c2)C1 ZINC000886041256 708687429 /nfs/dbraw/zinc/68/74/29/708687429.db2.gz FEUFMGBVSASHOM-QWRGUYRKSA-N 1 0 312.295 1.829 10 0 DDAERO Cc1cnn([C@H]2[C@H](O)C[C@@H]2[NH2+]Cc2cn(C)nc2C(C)(C)C)c1 ZINC000888077169 709209743 /nfs/dbraw/zinc/20/97/43/709209743.db2.gz PVZTVESWIUJRLV-RRFJBIMHSA-N 1 0 317.437 1.687 10 0 DDAERO C[NH+](C)CCn1nccc1C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000900250467 709505327 /nfs/dbraw/zinc/50/53/27/709505327.db2.gz BUAOKQLEDIMLLW-ZFWWWQNUSA-N 1 0 306.410 1.228 10 0 DDAERO CCO[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C12CCOCC2 ZINC000907447987 712574420 /nfs/dbraw/zinc/57/44/20/712574420.db2.gz PJMOIIKQZJGXPI-KGLIPLIRSA-N 1 0 308.422 1.173 10 0 DDAERO C[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)Sc1n[nH]c(=O)n1C ZINC000081880631 192334217 /nfs/dbraw/zinc/33/42/17/192334217.db2.gz FDRBCIBGYWFQNR-JOYOIKCWSA-N 1 0 308.407 1.558 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)NC2Cc3ccccc3C2)CCO1 ZINC000184950571 282123434 /nfs/dbraw/zinc/12/34/34/282123434.db2.gz WDRCPSMMTSAEGU-MRXNPFEDSA-N 1 0 303.406 1.126 10 0 DDAERO C[N@H+](C[C@H](O)COC(C)(C)C)C[C@H]1COc2ccccc2O1 ZINC000249379236 282146958 /nfs/dbraw/zinc/14/69/58/282146958.db2.gz OHELNNRAJCOXMF-KBPBESRZSA-N 1 0 309.406 1.934 10 0 DDAERO Cc1ccc(S(N)(=O)=O)cc1NC(=O)CC[C@@H](C)CC[NH3+] ZINC000079117750 185159243 /nfs/dbraw/zinc/15/92/43/185159243.db2.gz FIXVAOUQUHPBMN-SNVBAGLBSA-N 1 0 313.423 1.346 10 0 DDAERO C[C@@]([NH3+])(CCCSc1ncccc1Br)C(N)=O ZINC000079447163 185171937 /nfs/dbraw/zinc/17/19/37/185171937.db2.gz RYXGYEHTJXTZIU-LLVKDONJSA-N 1 0 318.240 1.919 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)NC(=O)c2ccccc2)C1 ZINC000249611618 282184885 /nfs/dbraw/zinc/18/48/85/282184885.db2.gz MDPCTOJULMXSQL-HOCLYGCPSA-N 1 0 317.433 1.796 10 0 DDAERO CCC[C@@H](C[NH3+])C(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000087519538 185227550 /nfs/dbraw/zinc/22/75/50/185227550.db2.gz DPRSOYVAAABLBU-VIFPVBQESA-N 1 0 302.371 1.543 10 0 DDAERO CCN(C(=O)CC1([NH2+]C)CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000087577163 185228870 /nfs/dbraw/zinc/22/88/70/185228870.db2.gz DWQQTRYBSNLSGR-ZDUSSCGKSA-N 1 0 316.467 1.334 10 0 DDAERO Cc1nnc(SCC(=O)Nc2ccccc2C)n1CC[NH3+] ZINC000087711348 185230879 /nfs/dbraw/zinc/23/08/79/185230879.db2.gz CXVFCERZKIWCOT-UHFFFAOYSA-N 1 0 305.407 1.584 10 0 DDAERO CCC[NH2+][C@H]1CCC(C)(C)C[C@@H]1S(=O)(=O)CCC(=O)OC ZINC000081974784 192347692 /nfs/dbraw/zinc/34/76/92/192347692.db2.gz AYMDBGIIWVAAOU-STQMWFEESA-N 1 0 319.467 1.911 10 0 DDAERO NNc1cc(Nc2ccc(Br)c(F)c2)nc(N)[nH+]1 ZINC000087886569 185234707 /nfs/dbraw/zinc/23/47/07/185234707.db2.gz SPPHMTOBKMWDCZ-UHFFFAOYSA-N 1 0 313.134 1.990 10 0 DDAERO NNc1nc(N2CCCC[C@H]2CCO)c(Br)c[nH+]1 ZINC000087897185 185235678 /nfs/dbraw/zinc/23/56/78/185235678.db2.gz IHXKHGXEWKFODC-QMMMGPOBSA-N 1 0 316.203 1.266 10 0 DDAERO O=S(=O)(Cc1cccc(Br)c1)CC1C[NH2+]C1 ZINC000088091088 185239545 /nfs/dbraw/zinc/23/95/45/185239545.db2.gz MBPNBXNQRKPPNA-UHFFFAOYSA-N 1 0 304.209 1.583 10 0 DDAERO O=S(=O)(Nc1ccc(N2CCCCC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000088056831 185238345 /nfs/dbraw/zinc/23/83/45/185238345.db2.gz RMOBVMSAMIQCDU-OAHLLOKOSA-N 1 0 309.435 1.781 10 0 DDAERO C[NH2+][C@H](Cc1ccccc1Br)[C@H]1COCCO1 ZINC000087857486 185233571 /nfs/dbraw/zinc/23/35/71/185233571.db2.gz YBAHAPFGJYAZDN-CHWSQXEVSA-N 1 0 300.196 1.995 10 0 DDAERO C[C@H](CN1CCCC1)Nc1nc(NN)[nH+]cc1Br ZINC000087865397 185233888 /nfs/dbraw/zinc/23/38/88/185233888.db2.gz JAMGTTRZSPLJFF-MRVPVSSYSA-N 1 0 315.219 1.421 10 0 DDAERO NNc1nc(N(CCO)C2CCCC2)c(Br)c[nH+]1 ZINC000087866625 185233934 /nfs/dbraw/zinc/23/39/34/185233934.db2.gz RAMSEXOUJPQPAK-UHFFFAOYSA-N 1 0 316.203 1.266 10 0 DDAERO CN(C[C@H]1CCCOC1)c1nc(NN)[nH+]cc1Br ZINC000087877706 185234058 /nfs/dbraw/zinc/23/40/58/185234058.db2.gz DGDBKEDANYBSQO-MRVPVSSYSA-N 1 0 316.203 1.388 10 0 DDAERO NNc1cccc(-n2cc(I)cn2)[nH+]1 ZINC000087867783 185234139 /nfs/dbraw/zinc/23/41/39/185234139.db2.gz LIWMSRWORXPLNE-UHFFFAOYSA-N 1 0 301.091 1.158 10 0 DDAERO CCOC(=O)CS(=O)(=O)[C@H](CC)[C@H]([NH2+]C)c1ccccc1 ZINC000081977321 192348037 /nfs/dbraw/zinc/34/80/37/192348037.db2.gz KVEIJROYZOGMQV-UKRRQHHQSA-N 1 0 313.419 1.704 10 0 DDAERO COc1ccnc(C(=O)N2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000177198931 539230315 /nfs/dbraw/zinc/23/03/15/539230315.db2.gz KJJFTHSFFOVNQK-CYBMUJFWSA-N 1 0 300.362 1.900 10 0 DDAERO O=C1CCCN1C[C@H](O)C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000179987277 539235367 /nfs/dbraw/zinc/23/53/67/539235367.db2.gz LLLBMHHQUBHVKU-CYBMUJFWSA-N 1 0 324.371 1.917 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)N1c2ccccc2C[C@H]1C)C(C)C ZINC000183661909 539243008 /nfs/dbraw/zinc/24/30/08/539243008.db2.gz PZESDTKGARLCIP-MLGOLLRUSA-N 1 0 303.406 1.324 10 0 DDAERO CS(=O)(=O)[C@H]1CCC[C@H]1N1CC[NH2+]CC12CCCCC2 ZINC000088395639 185248491 /nfs/dbraw/zinc/24/84/91/185248491.db2.gz PIHGPDUGWMPJKL-KGLIPLIRSA-N 1 0 300.468 1.560 10 0 DDAERO CO[C@@H]1COC[C@H]1[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000333588673 536757791 /nfs/dbraw/zinc/75/77/91/536757791.db2.gz SJDVIYXPUYGUMK-MGPQQGTHSA-N 1 0 302.378 1.323 10 0 DDAERO Cn1ncnc1COc1ccc(Br)cc1CC[NH3+] ZINC000088582600 185258489 /nfs/dbraw/zinc/25/84/89/185258489.db2.gz OGIYQWABUMTVJV-UHFFFAOYSA-N 1 0 311.183 1.658 10 0 DDAERO NC(=O)[C@@H]1C[NH2+]CCN1Cc1csc(-c2ccsc2)n1 ZINC000088668764 185262221 /nfs/dbraw/zinc/26/22/21/185262221.db2.gz FUUPFDNWLWDBFJ-NSHDSACASA-N 1 0 308.432 1.131 10 0 DDAERO CC[NH2+]C[C@@H](Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000088790140 185265749 /nfs/dbraw/zinc/26/57/49/185265749.db2.gz FFYNGQYCOKDKLT-CHWSQXEVSA-N 1 0 316.854 1.938 10 0 DDAERO CC(C)(C)[NH2+]CCc1nnc(C(C)(C)S(C)(=O)=O)s1 ZINC000088823898 185266676 /nfs/dbraw/zinc/26/66/76/185266676.db2.gz DXOLZUNSKPCYKJ-UHFFFAOYSA-N 1 0 305.469 1.748 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CC[C@@H]1CCCO1 ZINC000246037056 539269353 /nfs/dbraw/zinc/26/93/53/539269353.db2.gz QTYJNTQANFJXSR-RDBSUJKOSA-N 1 0 302.440 1.054 10 0 DDAERO O=C(c1c(Cl)cccc1Cl)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308833 185290192 /nfs/dbraw/zinc/29/01/92/185290192.db2.gz DKLAMWICAMUENT-UHFFFAOYSA-N 1 0 314.216 1.723 10 0 DDAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NC(=O)c1ccccc1OC(F)F ZINC000090312283 185290595 /nfs/dbraw/zinc/29/05/95/185290595.db2.gz CAWCZJXDABPVQX-WCQGTBRESA-N 1 0 300.305 1.523 10 0 DDAERO Cc1ccc(F)c(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@@H]3C2(C)C)c1 ZINC000090336767 185291920 /nfs/dbraw/zinc/29/19/20/185291920.db2.gz CWGSXAUEOJCUCO-RYUDHWBXSA-N 1 0 312.410 1.753 10 0 DDAERO [NH3+][C@@H]1COC[C@@H]1c1nc(-c2cccc(Br)c2)no1 ZINC000090364327 185292743 /nfs/dbraw/zinc/29/27/43/185292743.db2.gz HNXXGGLIKXVCQY-VHSXEESVSA-N 1 0 310.151 1.940 10 0 DDAERO [NH3+][C@H]1COC[C@H]1C(=O)NCc1cc(F)ccc1Br ZINC000090383104 185293546 /nfs/dbraw/zinc/29/35/46/185293546.db2.gz PAOMUQQWIPGWLN-KOLCDFICSA-N 1 0 317.158 1.178 10 0 DDAERO CCOc1ccc2nc(NC(=O)[C@@H]3COC[C@@H]3[NH3+])sc2c1 ZINC000090378676 185293580 /nfs/dbraw/zinc/29/35/80/185293580.db2.gz IVBVROMOZHRFQY-ZJUUUORDSA-N 1 0 307.375 1.607 10 0 DDAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1COC[C@@H]1[NH3+] ZINC000090381750 185293637 /nfs/dbraw/zinc/29/36/37/185293637.db2.gz OBBLXUIXMDHOIV-SKDRFNHKSA-N 1 0 303.189 1.926 10 0 DDAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1COC[C@H]1[NH3+] ZINC000090382101 185293731 /nfs/dbraw/zinc/29/37/31/185293731.db2.gz KXDHCGXXQOGHOZ-CMPLNLGQSA-N 1 0 303.189 1.926 10 0 DDAERO CN(Cc1cccc(Br)c1)C(=O)[C@H]1COC[C@H]1[NH3+] ZINC000090383135 185293829 /nfs/dbraw/zinc/29/38/29/185293829.db2.gz IKGIBIJZUMDWRM-NWDGAFQWSA-N 1 0 313.195 1.381 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(Br)cc1C ZINC000090431499 185295909 /nfs/dbraw/zinc/29/59/09/185295909.db2.gz IQJCNSSVRDJKQG-CMPLNLGQSA-N 1 0 313.195 1.930 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000090434671 185296087 /nfs/dbraw/zinc/29/60/87/185296087.db2.gz NMVGTFQIFDXSGD-GHMZBOCLSA-N 1 0 306.284 1.405 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)N1CCc2sccc2[C@@H]1C1CC1 ZINC000090434775 185296184 /nfs/dbraw/zinc/29/61/84/185296184.db2.gz IKASFBUPXCOUFT-NFAWXSAZSA-N 1 0 306.431 1.818 10 0 DDAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccsc1C(=O)OC ZINC000090543430 185302084 /nfs/dbraw/zinc/30/20/84/185302084.db2.gz PNXVIJIMEHSUJR-KOLCDFICSA-N 1 0 312.391 1.488 10 0 DDAERO O=C(Cn1cccn1)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000090700895 185310690 /nfs/dbraw/zinc/31/06/90/185310690.db2.gz SKVQFYNWSRGVQC-CQSZACIVSA-N 1 0 308.451 1.313 10 0 DDAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000092322415 185312315 /nfs/dbraw/zinc/31/23/15/185312315.db2.gz JQUVHZRIJDELTC-ZIAGYGMSSA-N 1 0 305.426 1.781 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C\c2ccc(Cl)nc2)C[C@H]1C ZINC000255332295 282247822 /nfs/dbraw/zinc/24/78/22/282247822.db2.gz OZQHNVNYNLKOKT-RMKKPPKKSA-N 1 0 323.824 1.662 10 0 DDAERO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(F)ccc1N ZINC000092622503 185330083 /nfs/dbraw/zinc/33/00/83/185330083.db2.gz RYXBWGFSSCXYGV-LLVKDONJSA-N 1 0 301.387 1.123 10 0 DDAERO [NH3+]C1CCN(CC(=O)NCc2nc3ccccc3s2)CC1 ZINC000092714472 185335744 /nfs/dbraw/zinc/33/57/44/185335744.db2.gz HNBYWIOFTDKRPQ-UHFFFAOYSA-N 1 0 304.419 1.336 10 0 DDAERO CCn1cnc(S(=O)(=O)N(C)[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000092910642 185348535 /nfs/dbraw/zinc/34/85/35/185348535.db2.gz RVLQCDHAYYREMI-VXGBXAGGSA-N 1 0 300.428 1.041 10 0 DDAERO Cc1cc(F)cc(C)c1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000229365542 201831805 /nfs/dbraw/zinc/83/18/05/201831805.db2.gz SMFQFLQZOZRKJY-WCQYABFASA-N 1 0 300.399 1.719 10 0 DDAERO CC(C)CN(CC[NH+](C)C)C(=O)c1ccc(C(N)=S)cn1 ZINC000111284614 185574970 /nfs/dbraw/zinc/57/49/70/185574970.db2.gz RLPCRRXVDFCDDW-UHFFFAOYSA-N 1 0 308.451 1.376 10 0 DDAERO CCC[NH2+][C@H](C)[C@@H]1CCCCN1CC(=O)NCC(F)(F)F ZINC000111712738 185628629 /nfs/dbraw/zinc/62/86/29/185628629.db2.gz XFXHELRYEPXVCQ-NEPJUHHUSA-N 1 0 309.376 1.908 10 0 DDAERO CCC[NH2+][C@@H](C)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 ZINC000111713544 185628696 /nfs/dbraw/zinc/62/86/96/185628696.db2.gz FWTJYWJIVYLAMI-QWHCGFSZSA-N 1 0 314.455 1.209 10 0 DDAERO C[NH2+][C@@H](C)[C@@H]1CCCN(S(=O)(=O)CCc2ccccn2)C1 ZINC000111714145 185629106 /nfs/dbraw/zinc/62/91/06/185629106.db2.gz RDKLXDOEMSUNSB-UONOGXRCSA-N 1 0 311.451 1.274 10 0 DDAERO C[NH2+][C@@H](C)[C@@H]1CCCCN1S(=O)(=O)CCc1ccncc1 ZINC000111714917 185629664 /nfs/dbraw/zinc/62/96/64/185629664.db2.gz WVFWGPYNSHQOID-ZFWWWQNUSA-N 1 0 311.451 1.416 10 0 DDAERO CCC[NH2+]C[C@H]1CCCN(c2ccccc2S(N)(=O)=O)C1 ZINC000111718778 185630381 /nfs/dbraw/zinc/63/03/81/185630381.db2.gz 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/nfs/dbraw/zinc/38/75/62/192387562.db2.gz JYGRQXGBCLAFHW-JTQLQIEISA-N 1 0 305.241 1.931 10 0 DDAERO COc1ccc(OC)c([C@H]([NH3+])C[S@@](=O)C2CCOCC2)c1 ZINC000084054307 192397520 /nfs/dbraw/zinc/39/75/20/192397520.db2.gz IFBKDLAXUIONOW-SZNDQCEHSA-N 1 0 313.419 1.631 10 0 DDAERO COc1cc2c(c(OC)c1OC)[C@H](C[NH3+])N(C(C)(C)CO)C2 ZINC000071684616 191008385 /nfs/dbraw/zinc/00/83/85/191008385.db2.gz VVJJZTMURQLXFB-NSHDSACASA-N 1 0 310.394 1.299 10 0 DDAERO Cc1cc(N[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc(N)[nH+]1 ZINC000072173694 191068952 /nfs/dbraw/zinc/06/89/52/191068952.db2.gz JTZFJJFJPBNERT-ZDUSSCGKSA-N 1 0 315.352 1.719 10 0 DDAERO CCC[C@@H](C(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1)[NH+](C)C ZINC000155913723 186123119 /nfs/dbraw/zinc/12/31/19/186123119.db2.gz XSYCYZIRHGCPLM-CABCVRRESA-N 1 0 308.426 1.149 10 0 DDAERO O=C(NCCCc1ccccc1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171471491 186165529 /nfs/dbraw/zinc/16/55/29/186165529.db2.gz YTHQYBWYMXOSHD-MRXNPFEDSA-N 1 0 315.417 1.042 10 0 DDAERO 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QFBOGQVYVSSTKP-JTQLQIEISA-N 1 0 308.407 1.528 10 0 DDAERO COc1cccc(CNC(=O)CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000172800487 198151475 /nfs/dbraw/zinc/15/14/75/198151475.db2.gz JXULEEKQXFKHHD-MRXNPFEDSA-N 1 0 317.433 1.482 10 0 DDAERO CNc1cc(N2CCC[C@@H]2CNC(=O)C(F)(F)F)ncn1 ZINC000173417045 198212594 /nfs/dbraw/zinc/21/25/94/198212594.db2.gz RQUUXYQXDAZJTE-MRVPVSSYSA-N 1 0 303.288 1.166 10 0 DDAERO C[C@@H]1CN(C(=O)c2ccc(NC=O)cc2)C[C@H]1N1CCOCC1 ZINC000173417046 198212698 /nfs/dbraw/zinc/21/26/98/198212698.db2.gz PWMIPCFCMNLRAP-CZUORRHYSA-N 1 0 317.389 1.048 10 0 DDAERO CCN(C(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1)C(C)C ZINC000173415916 198212809 /nfs/dbraw/zinc/21/28/09/198212809.db2.gz YIYZIHHVVOITNI-ZDUSSCGKSA-N 1 0 320.441 1.927 10 0 DDAERO C[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)Oc1ccc(F)cc1 ZINC000173917283 198268072 /nfs/dbraw/zinc/26/80/72/198268072.db2.gz HLECAGMZYSUCHO-GXTWGEPZSA-N 1 0 309.385 1.939 10 0 DDAERO CNc1cc(N2CCC[C@H]2CNC(=O)NCC(C)C)ncn1 ZINC000174000917 198279068 /nfs/dbraw/zinc/27/90/68/198279068.db2.gz QNAVJHQLVJFHEJ-LBPRGKRZSA-N 1 0 306.414 1.442 10 0 DDAERO CC(C)[N@H+]1C[C@H](NS(=O)(=O)c2ncn(C)c2Cl)[C@@H](C)C1 ZINC000174003363 198279086 /nfs/dbraw/zinc/27/90/86/198279086.db2.gz QPKXXPGKVNBRBQ-UWVGGRQHSA-N 1 0 320.846 1.081 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(Cc2cccc(NC(C)=O)c2)CC1 ZINC000174082801 198289205 /nfs/dbraw/zinc/28/92/05/198289205.db2.gz AZVJLFIIHBGKIC-KRWDZBQOSA-N 1 0 305.422 1.534 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCn1ccnc1 ZINC000174609197 198358666 /nfs/dbraw/zinc/35/86/66/198358666.db2.gz UKZKTDJPSHXEMT-LSDHHAIUSA-N 1 0 305.426 1.541 10 0 DDAERO C[C@H]1CN(c2ncc(I)cn2)CC[C@@H]1[NH3+] ZINC000126276633 354053209 /nfs/dbraw/zinc/05/32/09/354053209.db2.gz QRDCRFALXLYSBZ-CBAPKCEASA-N 1 0 318.162 1.255 10 0 DDAERO CN(CC(C)(C)C[NH3+])c1ncc(I)cn1 ZINC000126275723 354053319 /nfs/dbraw/zinc/05/33/19/354053319.db2.gz NBQCFHMGTFHLMI-UHFFFAOYSA-N 1 0 320.178 1.502 10 0 DDAERO CCCC[C@H](COC)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000153787765 354201007 /nfs/dbraw/zinc/20/10/07/354201007.db2.gz RSLBIGHBPFQGBS-HUUCEWRRSA-N 1 0 315.458 1.338 10 0 DDAERO Cc1nscc1C(=O)N1CCO[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000328656200 354560127 /nfs/dbraw/zinc/56/01/27/354560127.db2.gz ZCLPJAKAADKDME-ZDUSSCGKSA-N 1 0 309.435 1.634 10 0 DDAERO C[C@]1(C(=O)NCc2n[nH]cc2Br)CCCC[NH2+]1 ZINC000584837616 354780409 /nfs/dbraw/zinc/78/04/09/354780409.db2.gz JASCSQCHSQRSSN-LLVKDONJSA-N 1 0 301.188 1.321 10 0 DDAERO COc1ccc(-c2nc(CN[C@@H]3CCC[NH2+]C3)cc(=O)[nH]2)cc1 ZINC000073696092 191343057 /nfs/dbraw/zinc/34/30/57/191343057.db2.gz VHPUIGOPSCCBGS-CYBMUJFWSA-N 1 0 314.389 1.287 10 0 DDAERO C[C@H](O)[C@H]([NH3+])CNC(=O)c1ccc(Br)cc1Cl ZINC000080697986 192183804 /nfs/dbraw/zinc/18/38/04/192183804.db2.gz FXMPMNWGLJZATM-QUBYGPBYSA-N 1 0 321.602 1.540 10 0 DDAERO CN(CC(C)(C)[NH3+])c1ncc(I)cn1 ZINC000594693859 356286852 /nfs/dbraw/zinc/28/68/52/356286852.db2.gz WYJANUPMCMVHHZ-UHFFFAOYSA-N 1 0 306.151 1.255 10 0 DDAERO CC(=O)c1csc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)n1 ZINC000080872053 192197335 /nfs/dbraw/zinc/19/73/35/192197335.db2.gz BEHPJUZQLLKZDN-SNVBAGLBSA-N 1 0 307.297 1.826 10 0 DDAERO Cc1cc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])ccc1NS(C)(=O)=O ZINC000085363504 192495923 /nfs/dbraw/zinc/49/59/23/192495923.db2.gz NIPJCPPXVUWGDV-NEPJUHHUSA-N 1 0 311.407 1.432 10 0 DDAERO CCNS(=O)(=O)c1ccccc1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085362500 192495937 /nfs/dbraw/zinc/49/59/37/192495937.db2.gz QZKVEAYZCISTRC-MNOVXSKESA-N 1 0 311.407 1.051 10 0 DDAERO COC(=O)CCN(CC(F)(F)F)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085368706 192496659 /nfs/dbraw/zinc/49/66/59/192496659.db2.gz LPZKAMYBZVRMRU-ZJUUUORDSA-N 1 0 310.316 1.458 10 0 DDAERO C[NH+](C)CCCCNS(=O)(=O)c1c[nH]c2ccc(N)cc21 ZINC000085378020 192496938 /nfs/dbraw/zinc/49/69/38/192496938.db2.gz AMGFBLCELACGHP-UHFFFAOYSA-N 1 0 310.423 1.370 10 0 DDAERO CCC[C@H]([NH3+])C(=O)N1CCN(c2ccc(F)cc2OC)CC1 ZINC000236828502 202028570 /nfs/dbraw/zinc/02/85/70/202028570.db2.gz UWERHNPWOHYXLS-ZDUSSCGKSA-N 1 0 309.385 1.610 10 0 DDAERO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H](C)NC(=O)c2ccco2)C1 ZINC000081333414 192252646 /nfs/dbraw/zinc/25/26/46/192252646.db2.gz WIBWREHSOGUKKC-ZIAGYGMSSA-N 1 0 321.421 1.588 10 0 DDAERO C[C@H]1CC[C@@H]([NH3+])[C@H](N2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC000081533453 192284666 /nfs/dbraw/zinc/28/46/66/192284666.db2.gz JQBZJTBVVSNABM-IVZWLZJFSA-N 1 0 303.332 1.628 10 0 DDAERO C[NH2+][C@H]1CCCC[C@H]1N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081533658 192285255 /nfs/dbraw/zinc/28/52/55/192285255.db2.gz MCIFMFOYUQRKCH-VHSXEESVSA-N 1 0 303.332 1.643 10 0 DDAERO CCC[C@H]([NH3+])C(=O)N1CCN(c2ncnc3sccc32)CC1 ZINC000236837823 202032525 /nfs/dbraw/zinc/03/25/25/202032525.db2.gz IRWUYOOMPZAAQD-LBPRGKRZSA-N 1 0 319.434 1.467 10 0 DDAERO Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1CCCC[C@H]1[NH3+] ZINC000085972424 192542001 /nfs/dbraw/zinc/54/20/01/192542001.db2.gz SAYFJMZHWWTPBJ-WCQYABFASA-N 1 0 300.399 1.930 10 0 DDAERO CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC[NH3+] ZINC000236981044 202106387 /nfs/dbraw/zinc/10/63/87/202106387.db2.gz RTDUKMLVWDSODR-GWCFXTLKSA-N 1 0 311.813 1.559 10 0 DDAERO CC(C)[C@H]1C[NH2+][C@@](C)(C2CC2)CN1C1CCS(=O)(=O)CC1 ZINC000086218881 192555003 /nfs/dbraw/zinc/55/50/03/192555003.db2.gz NSPLLQAYECDUON-HZPDHXFCSA-N 1 0 314.495 1.662 10 0 DDAERO CN(C(=O)C[C@H](NC(N)=O)c1cccs1)C1CC[NH2+]CC1 ZINC000237082522 202146778 /nfs/dbraw/zinc/14/67/78/202146778.db2.gz PMVXBPJIOPUGCH-NSHDSACASA-N 1 0 310.423 1.058 10 0 DDAERO COc1cc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)ccc1N1CCCC1=O ZINC000237154592 202168891 /nfs/dbraw/zinc/16/88/91/202168891.db2.gz FIURDELXPDFEBF-RYUDHWBXSA-N 1 0 317.389 1.888 10 0 DDAERO [NH3+]CCN1CCC(NC(=O)c2c(F)cc(F)cc2F)CC1 ZINC000086995772 192607786 /nfs/dbraw/zinc/60/77/86/192607786.db2.gz KZFOAETUBNZYQS-UHFFFAOYSA-N 1 0 301.312 1.257 10 0 DDAERO CCCCN(C)S(=O)(=O)c1n[nH]c(C)c1C[NH2+]C(C)C ZINC000088915842 192656729 /nfs/dbraw/zinc/65/67/29/192656729.db2.gz DXYJZZZPAIAZHQ-UHFFFAOYSA-N 1 0 302.444 1.637 10 0 DDAERO C[NH2+]Cc1c(C)[nH]nc1S(=O)(=O)N1CCc2ccccc21 ZINC000088918657 192658433 /nfs/dbraw/zinc/65/84/33/192658433.db2.gz KYNGILIRZBQPHP-UHFFFAOYSA-N 1 0 306.391 1.189 10 0 DDAERO CC[C@H](C)N(CC)S(=O)(=O)c1ccc(OCC[NH3+])cc1 ZINC000088950515 192665543 /nfs/dbraw/zinc/66/55/43/192665543.db2.gz VRUXDFSGCNKZJL-LBPRGKRZSA-N 1 0 300.424 1.833 10 0 DDAERO Cc1ccccc1CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH3+] ZINC000088987367 192682344 /nfs/dbraw/zinc/68/23/44/192682344.db2.gz GWDJCPKKVVGHEM-OAHLLOKOSA-N 1 0 311.451 1.485 10 0 DDAERO CC[C@H]1CN(Cc2cnn3ccccc23)CC[N@@H+]1C[C@@H](C)O ZINC000179508709 199047900 /nfs/dbraw/zinc/04/79/00/199047900.db2.gz RXQOATWUPBEAIL-ZBFHGGJFSA-N 1 0 302.422 1.611 10 0 DDAERO NC(=O)[C@H](c1ccccc1)[N@@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249576223 283345350 /nfs/dbraw/zinc/34/53/50/283345350.db2.gz PPAMMEAVJCOLTB-XHSDSOJGSA-N 1 0 316.426 1.982 10 0 DDAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)c1ccc(F)cc1 ZINC000089014804 192699785 /nfs/dbraw/zinc/69/97/85/192699785.db2.gz SLHKZRHJAFVIHK-AWEZNQCLSA-N 1 0 315.414 1.581 10 0 DDAERO CCc1nn(C)c(CN2C[C@H](C)[NH2+]C[C@@H]2C)c1Br ZINC000089323058 192766962 /nfs/dbraw/zinc/76/69/62/192766962.db2.gz IWNLNSRAWDSTSH-UWVGGRQHSA-N 1 0 315.259 1.927 10 0 DDAERO NC(=O)CSc1ccccc1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089453256 192792723 /nfs/dbraw/zinc/79/27/23/192792723.db2.gz AZAJJBXKOLWXTM-QWRGUYRKSA-N 1 0 307.419 1.578 10 0 DDAERO CN1CCO[C@@H](C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000187210555 200078271 /nfs/dbraw/zinc/07/82/71/200078271.db2.gz HNAJQIKWQQXYEC-HNNXBMFYSA-N 1 0 303.406 1.016 10 0 DDAERO CCC[C@H](C)[NH+]1CCN(c2nc(C)nc3c2cnn3C)CC1 ZINC000187689955 200144824 /nfs/dbraw/zinc/14/48/24/200144824.db2.gz VLGCAGVGABCIHC-LBPRGKRZSA-N 1 0 302.426 1.982 10 0 DDAERO C[C@H]1OCCC[C@H]1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000188056490 200187202 /nfs/dbraw/zinc/18/72/02/200187202.db2.gz QTJCQMBUKRFWMR-RHSMWYFYSA-N 1 0 302.418 1.976 10 0 DDAERO C[NH2+][C@H](CCN1CCSC[C@@H]1S(C)(=O)=O)C(C)(C)C ZINC000090923641 192948510 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ZINC000091908661 193125335 /nfs/dbraw/zinc/12/53/35/193125335.db2.gz VTDNYRDTZQCONN-CHWSQXEVSA-N 1 0 316.195 1.857 10 0 DDAERO [NH3+]C[C@@]1([C@@H](O)c2ccc(Br)cc2F)CCOC1 ZINC000091911679 193125416 /nfs/dbraw/zinc/12/54/16/193125416.db2.gz NZSBUXGNNYYRIT-RYUDHWBXSA-N 1 0 304.159 1.987 10 0 DDAERO COc1cc(CC[NH3+])cc(Cl)c1OC[C@@H]1CN(C)CCO1 ZINC000092060561 193149570 /nfs/dbraw/zinc/14/95/70/193149570.db2.gz VSGWWFCWEIFTNW-LBPRGKRZSA-N 1 0 314.813 1.559 10 0 DDAERO O=S(=O)(c1ccc(C[NH2+]C2CC2)cc1F)N1CCOCC1 ZINC000092115466 193163575 /nfs/dbraw/zinc/16/35/75/193163575.db2.gz OCQZISIVJYADDP-UHFFFAOYSA-N 1 0 314.382 1.099 10 0 DDAERO CN(C)C(=O)c1ccc(Cl)cc1NC(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092202234 193172940 /nfs/dbraw/zinc/17/29/40/193172940.db2.gz VOMLZEBZMOOETA-GXSJLCMTSA-N 1 0 307.781 1.884 10 0 DDAERO COc1ccc([C@H]2CCCN2C(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000261615715 203080946 /nfs/dbraw/zinc/08/09/46/203080946.db2.gz BSNBZXBASDHYFG-OAGGEKHMSA-N 1 0 304.390 1.865 10 0 DDAERO CCC[NH2+]C[C@H](C)[C@@H](C)N1CCSC[C@@H]1S(=O)(=O)CC ZINC000093071347 193199848 /nfs/dbraw/zinc/19/98/48/193199848.db2.gz HUSQNXRGKUYQFH-MJBXVCDLSA-N 1 0 322.540 1.820 10 0 DDAERO C[S@](=O)C[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000262295298 203253705 /nfs/dbraw/zinc/25/37/05/203253705.db2.gz ORTZUUURJYEYKS-ZYKFEASCSA-N 1 0 308.447 1.740 10 0 DDAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)Cc1ccccc1F ZINC000262437762 203293775 /nfs/dbraw/zinc/29/37/75/203293775.db2.gz XMSYSBRJMILLOV-UHFFFAOYSA-N 1 0 317.368 1.602 10 0 DDAERO COC(=O)CCC[NH2+][C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000093207481 193216705 /nfs/dbraw/zinc/21/67/05/193216705.db2.gz KUTGINJKAHSABM-NEPJUHHUSA-N 1 0 300.399 1.975 10 0 DDAERO CC[C@H](C)CN(CC)S(=O)(=O)N1CCC(C[NH2+]C)CC1 ZINC000093265724 193222689 /nfs/dbraw/zinc/22/26/89/193222689.db2.gz ULVYYWGABFVFDS-ZDUSSCGKSA-N 1 0 305.488 1.531 10 0 DDAERO [NH2+]=C1NC[C@H](c2cn(CCO)nn2)N1c1ccccc1Cl ZINC000093378550 193240553 /nfs/dbraw/zinc/24/05/53/193240553.db2.gz MMXTZPQCHGBKBR-GFCCVEGCSA-N 1 0 306.757 1.009 10 0 DDAERO CCC[NH2+]Cc1cn(C)nc1-c1ccc(S(C)(=O)=O)cc1 ZINC000093297109 193226991 /nfs/dbraw/zinc/22/69/91/193226991.db2.gz QMZIEWCWMSIRRM-UHFFFAOYSA-N 1 0 307.419 1.990 10 0 DDAERO C[NH2+][C@@H](Cc1c(Br)c(C)nn1C)C(OC)OC ZINC000093304991 193227179 /nfs/dbraw/zinc/22/71/79/193227179.db2.gz RYTGWPNBVJILAD-QMMMGPOBSA-N 1 0 306.204 1.240 10 0 DDAERO C[C@H](C[C@H]1CCCC[NH2+]1)Nc1cccc(NS(N)(=O)=O)c1 ZINC000093485821 193258560 /nfs/dbraw/zinc/25/85/60/193258560.db2.gz IEFVCCFYUWZOOG-VXGBXAGGSA-N 1 0 312.439 1.635 10 0 DDAERO C[NH2+][C@@]1(CO)CCC[C@@H]1CCn1cc(Br)cn1 ZINC000093618862 193275130 /nfs/dbraw/zinc/27/51/30/193275130.db2.gz IDRPIQKSCUMYMI-ZYHUDNBSSA-N 1 0 302.216 1.786 10 0 DDAERO C[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCSc1nnc(C)s1 ZINC000093629673 193275947 /nfs/dbraw/zinc/27/59/47/193275947.db2.gz FPUFIFHHCJFFSG-BXKDBHETSA-N 1 0 300.453 1.572 10 0 DDAERO COC(=O)[C@]1([NH3+])CCC[C@H]1CCSc1nnc(C)s1 ZINC000093629690 193276360 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CCN[C@@]1(C(=O)OC)CCC[C@H]([N@H+](CC)CCOCC)C1 ZINC000093755108 193300029 /nfs/dbraw/zinc/30/00/29/193300029.db2.gz MIPKIYUGFCEVSR-HOCLYGCPSA-N 1 0 300.443 1.809 10 0 DDAERO C[NH2+][C@]1(C(N)=O)CCC[C@H](n2cc(Br)cn2)C1 ZINC000093758761 193301425 /nfs/dbraw/zinc/30/14/25/193301425.db2.gz KIGYJEDWPFKGNA-GXSJLCMTSA-N 1 0 301.188 1.204 10 0 DDAERO C[NH2+][C@@]1(CO)CCC[C@@H](Sc2nnc(N(C)C)s2)C1 ZINC000093786004 193307026 /nfs/dbraw/zinc/30/70/26/193307026.db2.gz HSNFQYQRJGHXGV-SKDRFNHKSA-N 1 0 302.469 1.589 10 0 DDAERO Cc1cc(N)cc(C)c1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000093648993 193285633 /nfs/dbraw/zinc/28/56/33/193285633.db2.gz XLXOZOSSYQVBCW-CQSZACIVSA-N 1 0 311.451 1.600 10 0 DDAERO CC(C)OCCS(=O)(=O)N[C@H](C)c1ccc(C[NH3+])cc1 ZINC000093664753 193286403 /nfs/dbraw/zinc/28/64/03/193286403.db2.gz ZSAJDNAFXBPJJK-GFCCVEGCSA-N 1 0 300.424 1.551 10 0 DDAERO CCC1CCC(C[NH3+])(NS(=O)(=O)CCOC(C)C)CC1 ZINC000093664678 193286747 /nfs/dbraw/zinc/28/67/47/193286747.db2.gz POYCPNJVMWNXIT-UHFFFAOYSA-N 1 0 306.472 1.629 10 0 DDAERO [NH3+][C@@H](Cc1cc(F)cc(Br)c1)[C@H]1COCCO1 ZINC000094000194 193337832 /nfs/dbraw/zinc/33/78/32/193337832.db2.gz NTYIDYSBMPKHKH-NWDGAFQWSA-N 1 0 304.159 1.873 10 0 DDAERO COc1ccc2[nH]c(S[C@H]3CC[C@]([NH3+])(C(N)=O)C3)nc2c1 ZINC000093850566 193317816 /nfs/dbraw/zinc/31/78/16/193317816.db2.gz ZDXMAEGLBAVINH-LKFCYVNXSA-N 1 0 306.391 1.399 10 0 DDAERO CCN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccc(F)cc1F ZINC000093878072 193321870 /nfs/dbraw/zinc/32/18/70/193321870.db2.gz STMVUKFIXJRYTO-UHFFFAOYSA-N 1 0 306.378 1.960 10 0 DDAERO CCN(CC1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000094023860 193339051 /nfs/dbraw/zinc/33/90/51/193339051.db2.gz JAFDWHHQIYQIRX-UHFFFAOYSA-N 1 0 318.389 1.975 10 0 DDAERO CCn1nc(C)c(Cl)c1C[C@H]([NH2+]C)[C@H]1CN(CC)CCO1 ZINC000093914333 193328699 /nfs/dbraw/zinc/32/86/99/193328699.db2.gz KHSXUFTUVGJNTG-GXTWGEPZSA-N 1 0 314.861 1.716 10 0 DDAERO COc1ccc([C@H]([NH3+])[C@H](C)N(C)CCS(C)(=O)=O)cc1 ZINC000094298055 193356909 /nfs/dbraw/zinc/35/69/09/193356909.db2.gz FEPDXCNCYHQPIR-SMDDNHRTSA-N 1 0 300.424 1.060 10 0 DDAERO COc1ccc([C@@H]([C@@H](C)[NH3+])N(C)CCS(C)(=O)=O)cc1 ZINC000094297400 193356959 /nfs/dbraw/zinc/35/69/59/193356959.db2.gz DNKJARJJXCZKSO-BXUZGUMPSA-N 1 0 300.424 1.060 10 0 DDAERO CC[C@H]([NH3+])[C@@H](c1cccc(F)c1)N(C)CCS(C)(=O)=O ZINC000094297245 193356981 /nfs/dbraw/zinc/35/69/81/193356981.db2.gz ICNXRAYJJJLIHX-UONOGXRCSA-N 1 0 302.415 1.581 10 0 DDAERO CC[NH2+][C@H](CN(C)CCS(C)(=O)=O)c1cc(C)ccc1C ZINC000094298439 193358020 /nfs/dbraw/zinc/35/80/20/193358020.db2.gz WUBRBDDPHUFDGK-MRXNPFEDSA-N 1 0 312.479 1.930 10 0 DDAERO CCC[NH2+][C@@H]1CCC(C)(C)C[C@H]1N(C)CCS(C)(=O)=O ZINC000094298583 193358110 /nfs/dbraw/zinc/35/81/10/193358110.db2.gz HYBVVPBTWYZSNW-ZIAGYGMSSA-N 1 0 304.500 1.910 10 0 DDAERO CCC[NH2+]Cc1cnc(N(C)CCS(C)(=O)=O)c(Cl)c1 ZINC000094300771 193358891 /nfs/dbraw/zinc/35/88/91/193358891.db2.gz SKFOFGQKXNYQDT-UHFFFAOYSA-N 1 0 319.858 1.715 10 0 DDAERO CC[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cc(C)cc(N)c2C)C1 ZINC000094358339 193364077 /nfs/dbraw/zinc/36/40/77/193364077.db2.gz BCMDBOLGVJCSQH-ZDUSSCGKSA-N 1 0 311.451 1.506 10 0 DDAERO COC(=O)COC[C@@H]([NH3+])c1ccc(F)c(Br)c1 ZINC000094071824 193343621 /nfs/dbraw/zinc/34/36/21/193343621.db2.gz HWIHGIWSRTYEGL-SNVBAGLBSA-N 1 0 306.131 1.778 10 0 DDAERO CC[NH+](CC)CC1CCN(C(=O)[C@@](C)(N)C(F)(F)F)CC1 ZINC000094235689 193353476 /nfs/dbraw/zinc/35/34/76/193353476.db2.gz PUZBJDRDSDQDJB-CYBMUJFWSA-N 1 0 309.376 1.847 10 0 DDAERO CS(=O)(=O)[C@@H]1CCC[C@H](N2CCCC[C@@H]2C[NH2+]C2CC2)C1 ZINC000094644271 193390084 /nfs/dbraw/zinc/39/00/84/193390084.db2.gz XEXDSERNUAABMP-ARFHVFGLSA-N 1 0 314.495 1.949 10 0 DDAERO CNS(=O)(=O)c1ccccc1NC(=O)[C@@H](C[NH3+])CC(C)C ZINC000094697342 193391693 /nfs/dbraw/zinc/39/16/93/193391693.db2.gz VYSHHBLTSVQCRO-LLVKDONJSA-N 1 0 313.423 1.154 10 0 DDAERO Cc1c(F)cc(N)cc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1C ZINC000094360355 193366278 /nfs/dbraw/zinc/36/62/78/193366278.db2.gz WFHHLOPBFYIUFZ-LBPRGKRZSA-N 1 0 315.414 1.479 10 0 DDAERO O=S1(=O)CCC([NH2+][C@@H]2CCOC3(CCSCC3)C2)CC1 ZINC000094367976 193366742 /nfs/dbraw/zinc/36/67/42/193366742.db2.gz WBLXDHIBPIYOQQ-CYBMUJFWSA-N 1 0 319.492 1.598 10 0 DDAERO C[N@@H+]1CCC[C@@H](Nc2nc(Br)cn3ccnc23)C1 ZINC000094488060 193372373 /nfs/dbraw/zinc/37/23/73/193372373.db2.gz STASVYDPKNGJQU-SECBINFHSA-N 1 0 310.199 1.998 10 0 DDAERO C[C@H]1SCCC[C@@]1(C[NH3+])N1CCN(c2ncccn2)CC1 ZINC000094478708 193372638 /nfs/dbraw/zinc/37/26/38/193372638.db2.gz NOPIFHRGZSXEFE-HIFRSBDPSA-N 1 0 307.467 1.212 10 0 DDAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)NCc2cc(Br)cs2)O1 ZINC000094572307 193381414 /nfs/dbraw/zinc/38/14/14/193381414.db2.gz XHDFGRZIVZKDER-WPRPVWTQSA-N 1 0 319.224 1.633 10 0 DDAERO CN(C(=O)c1cc(C(F)(F)F)ccc1F)[C@@H]1C[NH2+]C[C@H]1O ZINC000094596912 193382457 /nfs/dbraw/zinc/38/24/57/193382457.db2.gz HBTOCCMWQSNDKY-GHMZBOCLSA-N 1 0 306.259 1.249 10 0 DDAERO Brc1cccn2nc(N[C@@H]3C[NH+]4CCC3CC4)nc12 ZINC000094602633 193383674 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1.015 10 0 DDAERO CNC(=O)c1cc(NC(=O)[C@@H]2C[C@@H](OC)C[NH2+]2)ccc1Cl ZINC000040634316 183112350 /nfs/dbraw/zinc/11/23/50/183112350.db2.gz HUKSAOBWJXIDKN-SKDRFNHKSA-N 1 0 311.769 1.015 10 0 DDAERO C[NH2+]C[C@H]1CCCN(S(=O)(=O)N(C)Cc2ccccc2)C1 ZINC000040597681 183107395 /nfs/dbraw/zinc/10/73/95/183107395.db2.gz OZZDDACXUVKUFD-OAHLLOKOSA-N 1 0 311.451 1.295 10 0 DDAERO CC(C)COc1cccc(NS(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000040861556 183143873 /nfs/dbraw/zinc/14/38/73/183143873.db2.gz GNUVOMMLUZQKEG-UHFFFAOYSA-N 1 0 313.423 1.283 10 0 DDAERO CN(C)S(=O)(=O)c1ccc(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000040746415 183128724 /nfs/dbraw/zinc/12/87/24/183128724.db2.gz KJRYBGSJEBMARC-PBWFPOADSA-N 1 0 309.435 1.632 10 0 DDAERO COc1ccc(S(=O)(=O)N2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1C ZINC000040749868 183128791 /nfs/dbraw/zinc/12/87/91/183128791.db2.gz RBIAIUUFVFMNKO-YHWZYXNKSA-N 1 0 310.419 1.646 10 0 DDAERO CC(C)[N@H+](CCOc1ccc(CC(N)=S)cc1)CC(N)=O ZINC000042429017 183269269 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CC[C@H]([NH3+])[C@H](c1cccc(F)c1)N1CCS(=O)(=O)CC1 ZINC000042971840 183324201 /nfs/dbraw/zinc/32/42/01/183324201.db2.gz CNSQNWAVTSYRRC-KBPBESRZSA-N 1 0 300.399 1.335 10 0 DDAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1C)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043035763 183332007 /nfs/dbraw/zinc/33/20/07/183332007.db2.gz OMRVLERSDCEYOG-FVQBIDKESA-N 1 0 310.463 1.892 10 0 DDAERO C[C@H]([NH3+])[C@@H](c1cnn(C)c1)N1CCN(c2nccs2)CC1 ZINC000043126710 183339367 /nfs/dbraw/zinc/33/93/67/183339367.db2.gz AZBMMBFFIIEXIE-AAEUAGOBSA-N 1 0 306.439 1.087 10 0 DDAERO COC(=O)[C@H](c1ccc(Cl)c(F)c1)N1CCC[NH2+]CC1 ZINC000043391088 183359274 /nfs/dbraw/zinc/35/92/74/183359274.db2.gz GMKTVXKLCYTJIU-ZDUSSCGKSA-N 1 0 300.761 1.989 10 0 DDAERO COc1cc(OC)c([C@@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000043299946 183352831 /nfs/dbraw/zinc/35/28/31/183352831.db2.gz NKZKMBALIKMUBO-OTYXRUKQSA-N 1 0 315.391 1.147 10 0 DDAERO COC[C@H](C)NC(=O)COc1ccc(CC[NH3+])cc1Cl ZINC000043490946 183366453 /nfs/dbraw/zinc/36/64/53/183366453.db2.gz 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CC[C@H]1CN(CC(=O)Nc2ccccc2)CC[N@@H+]1CCOC ZINC000105836089 194142992 /nfs/dbraw/zinc/14/29/92/194142992.db2.gz MTNMKFHHBACUSN-INIZCTEOSA-N 1 0 305.422 1.668 10 0 DDAERO CCCCCNC(=O)C[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000105909895 194166430 /nfs/dbraw/zinc/16/64/30/194166430.db2.gz OOLOJUVFBOVXBC-HNNXBMFYSA-N 1 0 319.453 1.684 10 0 DDAERO CCOCCN1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000105902772 194167038 /nfs/dbraw/zinc/16/70/38/194167038.db2.gz PPLRLXKYEPALNW-GOSISDBHSA-N 1 0 322.449 1.218 10 0 DDAERO CN(Cc1ccc(Cl)cc1)S(=O)(=O)C[C@H]1CCC[NH2+]1 ZINC000049644603 183751134 /nfs/dbraw/zinc/75/11/34/183751134.db2.gz RTNLTRYDOZAOLF-CYBMUJFWSA-N 1 0 302.827 1.854 10 0 DDAERO CC[C@@H](C[NH3+])N1CCN(S(=O)(=O)C2CCCCC2)CC1 ZINC000109451149 194264825 /nfs/dbraw/zinc/26/48/25/194264825.db2.gz CURSCLVMGGDMRA-ZDUSSCGKSA-N 1 0 303.472 1.004 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN(C(=O)c2occc2C)CC1 ZINC000109463250 194266000 /nfs/dbraw/zinc/26/60/00/194266000.db2.gz PUESZSOLMLPWND-GFCCVEGCSA-N 1 0 309.435 1.801 10 0 DDAERO CC(C)CCOCCN1CC[NH+](C(C)(C)C(N)=S)CC1 ZINC000109470618 194266398 /nfs/dbraw/zinc/26/63/98/194266398.db2.gz CABJTYKLQWGXHW-UHFFFAOYSA-N 1 0 301.500 1.731 10 0 DDAERO [NH3+]Cc1ccc(CNS(=O)(=O)c2cncc(F)c2)c(F)c1 ZINC000109540547 194271816 /nfs/dbraw/zinc/27/18/16/194271816.db2.gz MRQKNSXTDURJLW-UHFFFAOYSA-N 1 0 313.329 1.297 10 0 DDAERO COc1ccccc1CN1CC[NH+](C(C)(C)C(N)=S)CC1 ZINC000109470672 194266729 /nfs/dbraw/zinc/26/67/29/194266729.db2.gz FUVSAQGMZFTNGH-UHFFFAOYSA-N 1 0 307.463 1.878 10 0 DDAERO O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051359409 183824784 /nfs/dbraw/zinc/82/47/84/183824784.db2.gz LIGLNQHIROYCDD-UONOGXRCSA-N 1 0 316.373 1.870 10 0 DDAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000052010849 183847691 /nfs/dbraw/zinc/84/76/91/183847691.db2.gz ZUBBUULHENDDOI-UGFHNGPFSA-N 1 0 312.435 1.549 10 0 DDAERO CC[NH2+]Cc1c(N2CCNC(=O)C2(C)C)nc2sccn12 ZINC000110661335 194346972 /nfs/dbraw/zinc/34/69/72/194346972.db2.gz KAHGPKIUHFHWNZ-UHFFFAOYSA-N 1 0 307.423 1.220 10 0 DDAERO C[C@@H]1C(=O)NCCN1[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000110655400 194347577 /nfs/dbraw/zinc/34/75/77/194347577.db2.gz GVXKKGWNOGMZPJ-SKDRFNHKSA-N 1 0 312.211 1.269 10 0 DDAERO C[NH2+][C@@H]1CC(C)(C)Cc2nc(N3CCNC(=O)[C@@H]3C)sc21 ZINC000110664199 194348322 /nfs/dbraw/zinc/34/83/22/194348322.db2.gz WKVUTIQLLWVAQW-VHSXEESVSA-N 1 0 308.451 1.701 10 0 DDAERO CCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1c[nH]c2ncccc12 ZINC000110941372 194372588 /nfs/dbraw/zinc/37/25/88/194372588.db2.gz PZLTULUMLMMSMF-LLVKDONJSA-N 1 0 308.407 1.326 10 0 DDAERO COCCN(CCC[NH+](C)C)C(=O)c1c(N)cccc1Cl ZINC000111011002 194382712 /nfs/dbraw/zinc/38/27/12/194382712.db2.gz GXCHHRWCTVOMTQ-UHFFFAOYSA-N 1 0 313.829 1.963 10 0 DDAERO CN(CCC[NH+](C)C)CC(=O)Nc1ccccc1C(N)=S ZINC000111137489 194394276 /nfs/dbraw/zinc/39/42/76/194394276.db2.gz GFWSHPCZXSZGCT-UHFFFAOYSA-N 1 0 308.451 1.143 10 0 DDAERO CN(CCC[NH+](C)C)S(=O)(=O)c1c(F)cc(N)cc1F ZINC000111131007 194392895 /nfs/dbraw/zinc/39/28/95/194392895.db2.gz WWZVPOZFZWVSSD-UHFFFAOYSA-N 1 0 307.366 1.119 10 0 DDAERO CCOC(=O)[C@](C)(CCC[N@H+](C)CC1CCOCC1)NC ZINC000111170541 194398482 /nfs/dbraw/zinc/39/84/82/194398482.db2.gz DOEPGFAPFPEXDU-INIZCTEOSA-N 1 0 300.443 1.666 10 0 DDAERO CS(=O)(=O)C[C@H]([NH3+])Cc1ccc(F)cc1Br ZINC000060705288 184154572 /nfs/dbraw/zinc/15/45/72/184154572.db2.gz GZPONFUBVKBWEQ-SECBINFHSA-N 1 0 310.188 1.503 10 0 DDAERO O=C(CN1CCC[NH2+]CC1)N[C@H]1CCCC[C@H]1C(F)(F)F ZINC000061271216 184167395 /nfs/dbraw/zinc/16/73/95/184167395.db2.gz YESODQSNFZQWOP-NEPJUHHUSA-N 1 0 307.360 1.519 10 0 DDAERO CC[NH2+]CCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000061290881 184167854 /nfs/dbraw/zinc/16/78/54/184167854.db2.gz YBISYVCBLRFHGO-UHFFFAOYSA-N 1 0 304.799 1.682 10 0 DDAERO CCOC(=O)[C@](C)([NH3+])CCCCSc1n[nH]c(=O)n1CC ZINC000061607662 184178224 /nfs/dbraw/zinc/17/82/24/184178224.db2.gz CZGLRMVYDQHWIW-CYBMUJFWSA-N 1 0 316.427 1.134 10 0 DDAERO COCCCN(CCOC)Cc1[nH+]c(NN)ccc1Cl ZINC000061638320 184179592 /nfs/dbraw/zinc/17/95/92/184179592.db2.gz LJSAGWHQWSGSRZ-UHFFFAOYSA-N 1 0 302.806 1.506 10 0 DDAERO [NH3+]Cc1ccccc1CNC1=NS(=O)(=O)c2ccccc21 ZINC000061841417 184189735 /nfs/dbraw/zinc/18/97/35/184189735.db2.gz AAFAUGAOTZKZQZ-UHFFFAOYSA-N 1 0 301.371 1.384 10 0 DDAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCCO[C@@H](C)C2)cc1 ZINC000061935972 184196687 /nfs/dbraw/zinc/19/66/87/184196687.db2.gz ZGBOYQZZRFPWMF-QWHCGFSZSA-N 1 0 312.435 1.767 10 0 DDAERO COC(=O)[C@](C)(CCCC[N@@H+]1CCCOCC1)NC(C)C ZINC000061933605 184196765 /nfs/dbraw/zinc/19/67/65/184196765.db2.gz OCKPXEAWKLVJHH-INIZCTEOSA-N 1 0 300.443 1.809 10 0 DDAERO C[N@H+](CCNS(=O)(=O)c1cc(Cl)ccc1N)C1CC1 ZINC000061992620 184200603 /nfs/dbraw/zinc/20/06/03/184200603.db2.gz FAJACVNXFBFXOX-UHFFFAOYSA-N 1 0 303.815 1.295 10 0 DDAERO COCCC[N@H+](C)CCC(=O)Nc1cccc(C(N)=S)c1 ZINC000062031592 184202381 /nfs/dbraw/zinc/20/23/81/184202381.db2.gz ZFACVMKACGXVNI-UHFFFAOYSA-N 1 0 309.435 1.618 10 0 DDAERO C[C@H](CNc1ccc(S(N)(=O)=O)cc1N)C[NH+]1CCCC1 ZINC000062069903 184204207 /nfs/dbraw/zinc/20/42/07/184204207.db2.gz LEWAVQSODYOLNK-LLVKDONJSA-N 1 0 312.439 1.060 10 0 DDAERO CC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@H](N2CCN(S(C)(=O)=O)CC2)C1 ZINC000062083697 184204985 /nfs/dbraw/zinc/20/49/85/184204985.db2.gz QTVQEHJEQGDGTI-MGPQQGTHSA-N 1 0 317.499 1.106 10 0 DDAERO CC[C@H](C)C[C@](CC)(C[NH3+])N1CCN(S(C)(=O)=O)CC1 ZINC000062082516 184205131 /nfs/dbraw/zinc/20/51/31/184205131.db2.gz GFDDOZVIHGZERM-UONOGXRCSA-N 1 0 305.488 1.107 10 0 DDAERO COCCC[NH+]1[C@@H](C)CN(C(=O)NC2CCOCC2)C[C@@H]1C ZINC000062221226 184223671 /nfs/dbraw/zinc/22/36/71/184223671.db2.gz IPMYMKUVHXRFPE-KBPBESRZSA-N 1 0 313.442 1.306 10 0 DDAERO CC[NH2+][C@H](CCn1nc(C)c(Br)c1C)C(N)=O ZINC000062538403 184241626 /nfs/dbraw/zinc/24/16/26/184241626.db2.gz HJXSEQILJBVREE-SECBINFHSA-N 1 0 303.204 1.116 10 0 DDAERO CC(C)CCNC(=O)N1CCN(C(=O)CC[NH+]2CCCC2)CC1 ZINC000062319400 184229844 /nfs/dbraw/zinc/22/98/44/184229844.db2.gz OUGOUTPEBFTAOK-UHFFFAOYSA-N 1 0 324.469 1.372 10 0 DDAERO CNC(=O)CCOc1ccc(C[C@@H](C)[NH3+])cc1Br ZINC000062703998 184248842 /nfs/dbraw/zinc/24/88/42/184248842.db2.gz FBCLJEYXPRTGGB-SECBINFHSA-N 1 0 315.211 1.854 10 0 DDAERO CCC[C@@]1(C(=O)Nc2ccccc2S(N)(=O)=O)CC[NH2+]C1 ZINC000062897332 184258838 /nfs/dbraw/zinc/25/88/38/184258838.db2.gz GNIOSYQQDFFXTA-CQSZACIVSA-N 1 0 311.407 1.052 10 0 DDAERO CC[C@@]1(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)CC[NH2+]C1 ZINC000062893168 184259033 /nfs/dbraw/zinc/25/90/33/184259033.db2.gz HUXMOESWUXYTNX-CQSZACIVSA-N 1 0 311.407 1.386 10 0 DDAERO O=S(=O)(NOCC[NH+]1CCCC1)c1ccc2c(c1)CCC2 ZINC000062578417 184244442 /nfs/dbraw/zinc/24/44/42/184244442.db2.gz AYGJVGKECUXCCR-UHFFFAOYSA-N 1 0 310.419 1.481 10 0 DDAERO CCn1cc(S(=O)(=O)N[C@@H]2CCCCC[C@H]2[NH3+])nc1C ZINC000063213210 184278370 /nfs/dbraw/zinc/27/83/70/184278370.db2.gz ODWZEAXDYFEFCG-VXGBXAGGSA-N 1 0 300.428 1.150 10 0 DDAERO Nc1ccc(F)cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062975758 184264099 /nfs/dbraw/zinc/26/40/99/184264099.db2.gz AQNXAKUNOFRSFB-GFCCVEGCSA-N 1 0 313.398 1.267 10 0 DDAERO COc1ccc(C[C@@H](C)[NH3+])c(OCCCS(C)(=O)=O)c1 ZINC000063017577 184267345 /nfs/dbraw/zinc/26/73/45/184267345.db2.gz PYDRIMZCXZFFLA-LLVKDONJSA-N 1 0 301.408 1.398 10 0 DDAERO O=C(C[NH2+]CCC(F)(F)F)Nc1ccc2c(c1)OCCO2 ZINC000063100154 184270724 /nfs/dbraw/zinc/27/07/24/184270724.db2.gz WISXNUQOBNUSDA-UHFFFAOYSA-N 1 0 304.268 1.938 10 0 DDAERO CC(C)N(c1ccc(C[NH3+])cc1)S(=O)(=O)C[C@@H]1CCCO1 ZINC000063154896 184274345 /nfs/dbraw/zinc/27/43/45/184274345.db2.gz SKYYTGYIQZHLTL-HNNXBMFYSA-N 1 0 312.435 1.869 10 0 DDAERO CCn1cc(Br)cc1C(=O)N[C@H]1CCC[C@@H]1[NH3+] ZINC000063172533 184276072 /nfs/dbraw/zinc/27/60/72/184276072.db2.gz VXMHZLYDXVRNGP-UWVGGRQHSA-N 1 0 300.200 1.880 10 0 DDAERO CC[C@@H](C)NC(=O)c1ccc(NC(=O)C[NH2+]CCCOC)cc1 ZINC000066068358 184386340 /nfs/dbraw/zinc/38/63/40/184386340.db2.gz XGGMVALJEATCCY-CYBMUJFWSA-N 1 0 321.421 1.780 10 0 DDAERO CCCC[NH2+]CC(=O)Nc1cccc(C(=O)NCCCOC)c1 ZINC000066213949 184397318 /nfs/dbraw/zinc/39/73/18/184397318.db2.gz ILOFFNHSHTUASU-UHFFFAOYSA-N 1 0 321.421 1.781 10 0 DDAERO Cc1cccc(CS(=O)(=O)CCC(=O)N(C)CCC[NH3+])c1 ZINC000068608857 184493298 /nfs/dbraw/zinc/49/32/98/184493298.db2.gz YLKISYJVGUOUDO-UHFFFAOYSA-N 1 0 312.435 1.107 10 0 DDAERO Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000120220580 195122346 /nfs/dbraw/zinc/12/23/46/195122346.db2.gz QOLHWOPKCBYITN-CYBMUJFWSA-N 1 0 308.426 1.312 10 0 DDAERO COCCNC(=O)[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccco2)O1 ZINC000247899828 257114872 /nfs/dbraw/zinc/11/48/72/257114872.db2.gz VTZLQEQYQZBUTH-KKUMJFAQSA-N 1 0 308.378 1.164 10 0 DDAERO O=C(COC[C@]12CCO[C@H]1CC[N@H+](CC1CC1)C2)N1CCCC1 ZINC000247737574 257118055 /nfs/dbraw/zinc/11/80/55/257118055.db2.gz LXIZUKWDFXNRNE-FUHWJXTLSA-N 1 0 322.449 1.516 10 0 DDAERO c1ccc(NC[C@@H]2CO[C@H]3C[N@H+](CC4CCOCC4)C[C@@H]23)nc1 ZINC000253480315 257105161 /nfs/dbraw/zinc/10/51/61/257105161.db2.gz WAOWGEWUVMMTRU-IKGGRYGDSA-N 1 0 317.433 1.867 10 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/nfs/dbraw/zinc/56/42/31/407564231.db2.gz IMWZWQWUTAPBHE-VHDGCEQUSA-N 1 0 307.825 1.625 10 0 DDAERO COC[C@@H](C)C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114415172 407568886 /nfs/dbraw/zinc/56/88/86/407568886.db2.gz NHKIDZYVYQJLMH-CQSZACIVSA-N 1 0 320.437 1.074 10 0 DDAERO C[C@@H]1C[C@@H]1C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114414515 407570339 /nfs/dbraw/zinc/57/03/39/407570339.db2.gz KLGFPQMUQRUTED-HIFRSBDPSA-N 1 0 302.422 1.448 10 0 DDAERO [NH3+][C@@H]1CCN(c2cc(-c3cccnc3)nc(-c3cnccn3)n2)C1 ZINC000070455902 406817223 /nfs/dbraw/zinc/81/72/23/406817223.db2.gz IMTQDLAXHSRYSD-CYBMUJFWSA-N 1 0 319.372 1.533 10 0 DDAERO C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000076098793 406954947 /nfs/dbraw/zinc/95/49/47/406954947.db2.gz WKTPBQQKALMWJX-SMDDNHRTSA-N 1 0 305.378 1.090 10 0 DDAERO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000076107586 406955648 /nfs/dbraw/zinc/95/56/48/406955648.db2.gz VNQHBFWVGCQPMY-CFVMTHIKSA-N 1 0 319.405 1.419 10 0 DDAERO COc1ccc(C)cc1NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000043279222 407017199 /nfs/dbraw/zinc/01/71/99/407017199.db2.gz JHCVYKJBJZFZOG-CQSZACIVSA-N 1 0 321.421 1.972 10 0 DDAERO CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](C)[NH+](CC)CC ZINC000087133776 407118049 /nfs/dbraw/zinc/11/80/49/407118049.db2.gz DQUWNUHBKYHDAG-STQMWFEESA-N 1 0 322.457 1.705 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCN(C)c2ccccc2)C1 ZINC000052520132 407151526 /nfs/dbraw/zinc/15/15/26/407151526.db2.gz XDYLCQSESMTBGB-OAHLLOKOSA-N 1 0 304.438 1.906 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCOc2cccc(F)c2)C1 ZINC000052548520 407152346 /nfs/dbraw/zinc/15/23/46/407152346.db2.gz MBUUFGSJDCHJQG-AWEZNQCLSA-N 1 0 309.385 1.988 10 0 DDAERO O=[S@@](C[C@@H]1CCC[NH2+]C1)c1cccc(Br)n1 ZINC000095092400 407206926 /nfs/dbraw/zinc/20/69/26/407206926.db2.gz VRGRXNNPECYDAL-JDNHERCYSA-N 1 0 303.225 1.951 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)CCCc2nc(C3CC3)no2)CCO1 ZINC000123038081 407317896 /nfs/dbraw/zinc/31/78/96/407317896.db2.gz RAVAQJSYUSTDLE-CYBMUJFWSA-N 1 0 322.409 1.059 10 0 DDAERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3CC3(C)C)CC2)C1 ZINC000123375920 407327293 /nfs/dbraw/zinc/32/72/93/407327293.db2.gz XJEUVPXLTPIFQY-JKSUJKDBSA-N 1 0 323.481 1.286 10 0 DDAERO NC(=O)c1ccc(-c2cc3c(c(Cl)c2)O[C@@H](C[NH3+])C3)nc1 ZINC000067434810 407274385 /nfs/dbraw/zinc/27/43/85/407274385.db2.gz CRNADNRDRCLEKC-LLVKDONJSA-N 1 0 303.749 1.763 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(CC2=Cc3ccccc3OC2)CC1 ZINC000123550728 407332199 /nfs/dbraw/zinc/33/21/99/407332199.db2.gz YZAUDJHUUVULNE-KRWDZBQOSA-N 1 0 302.418 1.851 10 0 DDAERO CO[C@H](C)CC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000109291652 407396881 /nfs/dbraw/zinc/39/68/81/407396881.db2.gz ABOVVFHSPLSEBC-CQSZACIVSA-N 1 0 308.426 1.231 10 0 DDAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(Cn2cccn2)CC1 ZINC000126431086 407413128 /nfs/dbraw/zinc/41/31/28/407413128.db2.gz STVYFNBCNYVKCJ-MRXNPFEDSA-N 1 0 304.438 1.996 10 0 DDAERO COc1ccc(C[N@H+](C)C[C@H](O)CN2CCCC2=O)c(OC)c1 ZINC000111682797 407414366 /nfs/dbraw/zinc/41/43/66/407414366.db2.gz GVHLWQHQWAKRTQ-AWEZNQCLSA-N 1 0 322.405 1.119 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCc2cccc(C(N)=O)c2)C1 ZINC000170685658 407475322 /nfs/dbraw/zinc/47/53/22/407475322.db2.gz XJQBIZPZSHMPPH-HNNXBMFYSA-N 1 0 318.421 1.112 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000113226738 407476738 /nfs/dbraw/zinc/47/67/38/407476738.db2.gz RQRXUZFBBWNKGX-NWDGAFQWSA-N 1 0 312.373 1.232 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000113228759 407476863 /nfs/dbraw/zinc/47/68/63/407476863.db2.gz IZAOHEAWWNNKSW-UKRRQHHQSA-N 1 0 322.453 1.075 10 0 DDAERO C[NH+](C)C[C@@H]1CN(Cc2c(Cl)nc3ccccn32)CCO1 ZINC000128058328 407494935 /nfs/dbraw/zinc/49/49/35/407494935.db2.gz SEUFLDMUECEKBS-GFCCVEGCSA-N 1 0 308.813 1.750 10 0 DDAERO Cc1nc(C)c(CCC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c(=O)[nH]1 ZINC000253542947 407459780 /nfs/dbraw/zinc/45/97/80/407459780.db2.gz ZRNZXULNNJPMJF-BXUZGUMPSA-N 1 0 318.421 1.427 10 0 DDAERO CN(C)C(=O)c1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000171072053 407588171 /nfs/dbraw/zinc/58/81/71/407588171.db2.gz AUFVHGTYDSWRQI-CQSZACIVSA-N 1 0 304.394 1.556 10 0 DDAERO C[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1nc2ccccc2[nH]1 ZINC000170826580 407518225 /nfs/dbraw/zinc/51/82/25/407518225.db2.gz ZLYQTOMMYAFLJW-NEPJUHHUSA-N 1 0 301.394 1.969 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1cccc(O)c1 ZINC000113612301 407520004 /nfs/dbraw/zinc/52/00/04/407520004.db2.gz ZAZLODLRNIAYQY-DZGCQCFKSA-N 1 0 303.406 1.813 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)c2cnn(-c3ccccc3)c2)C1 ZINC000113879752 407527250 /nfs/dbraw/zinc/52/72/50/407527250.db2.gz YRNKOEXORCEMEP-OAHLLOKOSA-N 1 0 312.373 1.218 10 0 DDAERO Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170873579 407542590 /nfs/dbraw/zinc/54/25/90/407542590.db2.gz LCSRISAXHAATII-LBPRGKRZSA-N 1 0 302.827 1.973 10 0 DDAERO CSCCCCCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000186172707 407596614 /nfs/dbraw/zinc/59/66/14/407596614.db2.gz KMSVPTGMEGWYNK-ZIAGYGMSSA-N 1 0 317.499 1.616 10 0 DDAERO COc1cc(CN(C)C(=O)C2([NH3+])CCOCC2)cc(OC)c1 ZINC000261784902 407613318 /nfs/dbraw/zinc/61/33/18/407613318.db2.gz HRSMVZJJKHKXQC-UHFFFAOYSA-N 1 0 308.378 1.170 10 0 DDAERO COC[C@H]([NH3+])C(=O)NCCc1ccc(Br)s1 ZINC000226425302 407616053 /nfs/dbraw/zinc/61/60/53/407616053.db2.gz FFLJWLROHSTEAV-QMMMGPOBSA-N 1 0 307.213 1.143 10 0 DDAERO CC(C)N1CC[C@@H](N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1=O ZINC000261814968 407625491 /nfs/dbraw/zinc/62/54/91/407625491.db2.gz RWWBDBWWMAWKFX-IXDOHACOSA-N 1 0 301.434 1.670 10 0 DDAERO CN(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)c1ccccc1 ZINC000261841329 407636904 /nfs/dbraw/zinc/63/69/04/407636904.db2.gz AIWXPJRJRIIIIK-KURKYZTESA-N 1 0 303.450 1.870 10 0 DDAERO C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CNC(=O)C2)[C@@H]1c1cccs1 ZINC000129948604 407637887 /nfs/dbraw/zinc/63/78/87/407637887.db2.gz WBYPZKQNCBKWRQ-LALPHHSUSA-N 1 0 321.446 1.383 10 0 DDAERO Cc1nc(-c2ccc(NC(=O)[C@@H]([NH3+])C3CCOCC3)cc2)n[nH]1 ZINC000261843730 407638083 /nfs/dbraw/zinc/63/80/83/407638083.db2.gz QVTMLCNRUBZCLU-AWEZNQCLSA-N 1 0 315.377 1.473 10 0 DDAERO Cc1noc(C2CCC(NC(=O)[C@H]([NH3+])C3CCOCC3)CC2)n1 ZINC000261897970 407658949 /nfs/dbraw/zinc/65/89/49/407658949.db2.gz WFXTYHAIZVPFDN-JXQTWKCFSA-N 1 0 322.409 1.274 10 0 DDAERO C[C@@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)C(=O)N1CCCCC1 ZINC000261931576 407679590 /nfs/dbraw/zinc/67/95/90/407679590.db2.gz JTONAZCUTZDFJH-UKRRQHHQSA-N 1 0 303.406 1.594 10 0 DDAERO COc1ccccc1[C@@H]1CCN(C(=O)C2([NH3+])CCOCC2)C1 ZINC000261939424 407681376 /nfs/dbraw/zinc/68/13/76/407681376.db2.gz XEUVOJNXJFHTIK-CYBMUJFWSA-N 1 0 304.390 1.519 10 0 DDAERO CNC(=O)CC[N@H+](C)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000178990101 407683553 /nfs/dbraw/zinc/68/35/53/407683553.db2.gz FGUWDDIMDIQZGD-ZDUSSCGKSA-N 1 0 309.797 1.901 10 0 DDAERO COCCCOC1CC[NH+](C[C@@H](O)COC(C)(C)C)CC1 ZINC000130869485 407710449 /nfs/dbraw/zinc/71/04/49/407710449.db2.gz CPRZYBSETIYDIL-CQSZACIVSA-N 1 0 303.443 1.680 10 0 DDAERO [NH3+]CCNC(=O)c1cc(Br)cc(Br)c1 ZINC000236244403 407727446 /nfs/dbraw/zinc/72/74/46/407727446.db2.gz GTZQYKOQOCHVDZ-UHFFFAOYSA-N 1 0 322.000 1.900 10 0 DDAERO C[C@H](NC(=O)[C@H]([NH3+])C1CCOCC1)c1ccc(NC(N)=O)cc1 ZINC000262168579 407757383 /nfs/dbraw/zinc/75/73/83/407757383.db2.gz YLLJCOSZFNDLDX-IINYFYTJSA-N 1 0 320.393 1.108 10 0 DDAERO COC[C@H]([NH3+])C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000262245607 407775229 /nfs/dbraw/zinc/77/52/29/407775229.db2.gz RZUHREUNDACCCF-LBPRGKRZSA-N 1 0 318.377 1.046 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)no2)CCO1 ZINC000116789426 407775619 /nfs/dbraw/zinc/77/56/19/407775619.db2.gz YUYGKULGIRADSP-CQSZACIVSA-N 1 0 315.373 1.744 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)COc2ccccc2Cl)CCO1 ZINC000116784473 407777498 /nfs/dbraw/zinc/77/74/98/407777498.db2.gz TWXRZCWSRJFXLC-GFCCVEGCSA-N 1 0 312.797 1.508 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)C[C@H]2OCCc3ccccc32)CCO1 ZINC000116797091 407778994 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CN(C(=O)CCN1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000135057255 407968039 /nfs/dbraw/zinc/96/80/39/407968039.db2.gz CENNBPXKAFCNNK-INIZCTEOSA-N 1 0 305.422 1.302 10 0 DDAERO COc1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc(OC)c1O ZINC000153887730 407926557 /nfs/dbraw/zinc/92/65/57/407926557.db2.gz OLEKQKJUPBJKCU-YPMHNXCESA-N 1 0 322.405 1.868 10 0 DDAERO CC(C)c1nnc(CN(C)CC[N@H+](C)C2CCN(C)CC2)n1C ZINC000180958450 407936638 /nfs/dbraw/zinc/93/66/38/407936638.db2.gz RGNRIJYOTUUQGE-UHFFFAOYSA-N 1 0 322.501 1.396 10 0 DDAERO COc1cccc(OCC[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000154386729 408029209 /nfs/dbraw/zinc/02/92/09/408029209.db2.gz IOWQCVLYONURMA-OAHLLOKOSA-N 1 0 306.406 1.481 10 0 DDAERO CN1CC[NH2+]C[C@H]1c1noc([C@@H]2Cc3cc(Cl)ccc3O2)n1 ZINC000263190827 408049932 /nfs/dbraw/zinc/04/99/32/408049932.db2.gz HWMZZVWXEBEDIL-AAEUAGOBSA-N 1 0 320.780 1.975 10 0 DDAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1c[nH]c(=S)[nH]1 ZINC000189556369 408051256 /nfs/dbraw/zinc/05/12/56/408051256.db2.gz 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CC(C)[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCS(C)(=O)=O)CC1 ZINC000079341193 483977360 /nfs/dbraw/zinc/97/73/60/483977360.db2.gz LXKFLHTXNGXPDR-CHWSQXEVSA-N 1 0 304.456 1.033 10 0 DDAERO C[C@@H](O)CC[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000085990693 484005687 /nfs/dbraw/zinc/00/56/87/484005687.db2.gz NUIWAOIZNKLPNF-ZYHUDNBSSA-N 1 0 318.211 1.549 10 0 DDAERO C[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1ccc(S(C)(=O)=O)cc1 ZINC000089747028 484009574 /nfs/dbraw/zinc/00/95/74/484009574.db2.gz AWBAWISXXPFMOI-NEPJUHHUSA-N 1 0 310.419 1.267 10 0 DDAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC(CC(=O)N2CCCC2)CC1 ZINC000261773316 484255826 /nfs/dbraw/zinc/25/58/26/484255826.db2.gz OOGJGPBZVZLNSX-HZPDHXFCSA-N 1 0 321.465 1.613 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc(C2CC2)nc2ccccc21 ZINC000262210747 484265662 /nfs/dbraw/zinc/26/56/62/484265662.db2.gz ITIBWRXWGPOFJV-SJKOYZFVSA-N 1 0 311.385 1.422 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1C(=O)c1ccccc1 ZINC000262253743 484266702 /nfs/dbraw/zinc/26/67/02/484266702.db2.gz LSFVCYUOJXZUPX-YOEHRIQHSA-N 1 0 324.380 1.228 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cc(F)c(Cl)cc1Cl ZINC000262298075 484268402 /nfs/dbraw/zinc/26/84/02/484268402.db2.gz PHTDMZIDRRWHPX-KGFZYKRKSA-N 1 0 307.152 1.443 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)C1(c2cccc(Cl)c2)CCCC1 ZINC000262340416 484268957 /nfs/dbraw/zinc/26/89/57/484268957.db2.gz SYIUKUXQWBCDGQ-SWLSCSKDSA-N 1 0 322.836 1.848 10 0 DDAERO C[NH2+]CCc1ccc(S(=O)(=O)NCc2cccs2)cc1 ZINC000088974438 517969658 /nfs/dbraw/zinc/96/96/58/517969658.db2.gz LHCPJNKIGHUNQU-UHFFFAOYSA-N 1 0 310.444 1.989 10 0 DDAERO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1c(F)cc(F)cc1F ZINC000156608416 522088306 /nfs/dbraw/zinc/08/83/06/522088306.db2.gz GJBDESZVIRJHRL-SECBINFHSA-N 1 0 308.325 1.476 10 0 DDAERO Cc1nc(-c2cnn(C)c2)sc1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000157680906 526621701 /nfs/dbraw/zinc/62/17/01/526621701.db2.gz SNXIGQBHXAPGHN-CMPLNLGQSA-N 1 0 319.434 1.709 10 0 DDAERO CCn1nccc1C1CCN(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000333810439 535858161 /nfs/dbraw/zinc/85/81/61/535858161.db2.gz JEXYILVLCHPZOK-DZGCQCFKSA-N 1 0 319.453 1.933 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CSCCS1 ZINC000132342908 696814168 /nfs/dbraw/zinc/81/41/68/696814168.db2.gz CAXMLPFABUQUJC-CHWSQXEVSA-N 1 0 317.524 1.961 10 0 DDAERO CCCC(=O)N[C@H]1CCCN(CN2C[C@H](CCC)CC2=O)C1 ZINC000173335253 697376952 /nfs/dbraw/zinc/37/69/52/697376952.db2.gz WJDIBWNVHBWYKR-CABCVRRESA-N 1 0 309.454 1.973 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000177160543 697410007 /nfs/dbraw/zinc/41/00/07/697410007.db2.gz MXVWXTGQYXXACB-SOUVJXGZSA-N 1 0 305.422 1.311 10 0 DDAERO O=C(/C=C/c1ccccc1Cl)NC[C@H](O)CN1CCOCC1 ZINC000192711004 697637495 /nfs/dbraw/zinc/63/74/95/697637495.db2.gz ZYIICSIFAHQDJB-GJBLVYBDSA-N 1 0 324.808 1.163 10 0 DDAERO Cc1cc(S(=O)(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc(C)c1F ZINC000193463531 697668583 /nfs/dbraw/zinc/66/85/83/697668583.db2.gz HSTACQWJXJXFHX-YPMHNXCESA-N 1 0 300.399 1.861 10 0 DDAERO Cc1c2ccccc2oc(=O)c1C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000222575947 697757749 /nfs/dbraw/zinc/75/77/49/697757749.db2.gz ZVDVPPUUVNAPST-CQSZACIVSA-N 1 0 312.369 1.925 10 0 DDAERO O[C@H](C[NH2+]C[C@H]1CSCCS1)COCc1ccco1 ZINC000229603691 697778652 /nfs/dbraw/zinc/77/86/52/697778652.db2.gz FQJVSZWSISFQML-YPMHNXCESA-N 1 0 303.449 1.595 10 0 DDAERO C[C@@H]([NH2+]Cc1cn(C)nn1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000230651546 697783859 /nfs/dbraw/zinc/78/38/59/697783859.db2.gz UXFFBNYHAQLMQP-OLZOCXBDSA-N 1 0 323.441 1.940 10 0 DDAERO CCc1nn(C)c(Cl)c1CN1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000245690944 698336968 /nfs/dbraw/zinc/33/69/68/698336968.db2.gz BKYKMSMEWURCKC-NEPJUHHUSA-N 1 0 314.861 1.523 10 0 DDAERO CC(C)C[C@]1(C)CC(=O)N(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)C1=O ZINC000246843084 698356138 /nfs/dbraw/zinc/35/61/38/698356138.db2.gz CMQWOCVKWYWKCW-RVKKMQEKSA-N 1 0 321.465 1.924 10 0 DDAERO CN1CC[C@H]([NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1=O ZINC000247518250 698367529 /nfs/dbraw/zinc/36/75/29/698367529.db2.gz ZTTDCJUNBUBAJH-AVGNSLFASA-N 1 0 311.426 1.500 10 0 DDAERO COCCN1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)C[C@H]1C ZINC000248874205 698382404 /nfs/dbraw/zinc/38/24/04/698382404.db2.gz IVDHWDHHGYRPMF-PBHICJAKSA-N 1 0 305.422 1.040 10 0 DDAERO COc1ccc2c(c1)C(=O)N(CN1C[C@@H]3CCC[N@@H+]3C[C@@H]1C)C2 ZINC000253281720 698405234 /nfs/dbraw/zinc/40/52/34/698405234.db2.gz XCJHLWZRQBEDEB-ZFWWWQNUSA-N 1 0 315.417 1.777 10 0 DDAERO C[NH+](C)C[C@H]1CN(S(=O)(=O)/C=C\c2ccccc2)CCO1 ZINC000254971127 698409811 /nfs/dbraw/zinc/40/98/11/698409811.db2.gz JMHUPCNZUDDIGH-QIENPNARSA-N 1 0 310.419 1.250 10 0 DDAERO C[NH2+][C@@H](C)CNC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1 ZINC000261651284 698431233 /nfs/dbraw/zinc/43/12/33/698431233.db2.gz FCUKRNXGONNSSL-LBPRGKRZSA-N 1 0 305.422 1.800 10 0 DDAERO COCCN(CCOc1ccc(F)cc1)Cc1noc(CN)n1 ZINC000261666330 698431924 /nfs/dbraw/zinc/43/19/24/698431924.db2.gz HIAGHUARLFEBNJ-UHFFFAOYSA-N 1 0 324.356 1.195 10 0 DDAERO [NH3+]C1(C(=O)N2CCC[C@H](Cc3ccccc3)C2)CCOCC1 ZINC000261812035 698438988 /nfs/dbraw/zinc/43/89/88/698438988.db2.gz JPCNVXOPQLSCEN-MRXNPFEDSA-N 1 0 302.418 1.976 10 0 DDAERO C[NH2+][C@H](C)CNC(=O)Cc1nnn(-c2ccc(C)cc2)c1C ZINC000261863708 698441653 /nfs/dbraw/zinc/44/16/53/698441653.db2.gz YUIIGSZOQSCPIV-GFCCVEGCSA-N 1 0 301.394 1.151 10 0 DDAERO C[NH2+][C@H](C)CNC(=O)C1CCC(NC(=O)CC2CCCC2)CC1 ZINC000261869802 698442136 /nfs/dbraw/zinc/44/21/36/698442136.db2.gz ZMWPZPBQUSGUKH-IUDNXUCKSA-N 1 0 323.481 1.966 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N(CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000262035606 698451811 /nfs/dbraw/zinc/45/18/11/698451811.db2.gz FOGFGWJJHRDVML-CABCVRRESA-N 1 0 312.385 1.317 10 0 DDAERO C[NH2+][C@H](C)CNS(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000262189562 698458667 /nfs/dbraw/zinc/45/86/67/698458667.db2.gz CDDQWOHQQOOQSA-SECBINFHSA-N 1 0 323.821 1.353 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N(C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000262393573 698467144 /nfs/dbraw/zinc/46/71/44/698467144.db2.gz OLCORKQMRJOHNR-HUUCEWRRSA-N 1 0 320.368 1.081 10 0 DDAERO C[NH2+][C@@H](C)CNC(=O)c1cc(Br)cnc1Cl ZINC000702077293 699228431 /nfs/dbraw/zinc/22/84/31/699228431.db2.gz WKDCMRHYMRMKBP-LURJTMIESA-N 1 0 306.591 1.835 10 0 DDAERO O=C(NC[C@@H]1CC[NH2+]C1)c1cc(Br)cnc1Cl ZINC000702085773 699228694 /nfs/dbraw/zinc/22/86/94/699228694.db2.gz RZJSTALXYJOBIM-SSDOTTSWSA-N 1 0 318.602 1.837 10 0 DDAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000706739120 699244591 /nfs/dbraw/zinc/24/45/91/699244591.db2.gz XGHCDWFZISOBBW-CRWXNKLISA-N 1 0 314.426 1.514 10 0 DDAERO COC[C@@]1(C(=O)N[C@H](C)c2ccc(Cl)s2)C[NH2+]CCO1 ZINC000710775116 699254778 /nfs/dbraw/zinc/25/47/78/699254778.db2.gz OKSIXRIMLCHMIR-NOZJJQNGSA-N 1 0 318.826 1.584 10 0 DDAERO CS[C@H](CO)[C@H](C)[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711440351 699257829 /nfs/dbraw/zinc/25/78/29/699257829.db2.gz BEZHBVSPOROCBF-YWPUVAFDSA-N 1 0 318.483 1.992 10 0 DDAERO CCN1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1=O ZINC000713371236 699266253 /nfs/dbraw/zinc/26/62/53/699266253.db2.gz UYRYJAAGXUPZFS-GOEBONIOSA-N 1 0 315.417 1.403 10 0 DDAERO [NH3+]C[C@H]1C[C@H](C(=O)NCc2cccc(Cl)c2Cl)CO1 ZINC000713886344 699268507 /nfs/dbraw/zinc/26/85/07/699268507.db2.gz QNUSZHNPTJHVDA-VHSXEESVSA-N 1 0 303.189 1.973 10 0 DDAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCc2ncc(Br)s2)C1 ZINC000714941970 699273018 /nfs/dbraw/zinc/27/30/18/699273018.db2.gz ALQATODJMWBLFC-RNFRBKRXSA-N 1 0 304.213 1.649 10 0 DDAERO NC(=O)C1CC([NH2+]Cc2ccc(F)cc2Br)C1 ZINC000716720898 699284058 /nfs/dbraw/zinc/28/40/58/699284058.db2.gz MYMJPEUKAVAGOI-UHFFFAOYSA-N 1 0 301.159 1.942 10 0 DDAERO CS(=O)(=O)c1ccc(NC[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000716994651 699285669 /nfs/dbraw/zinc/28/56/69/699285669.db2.gz DJDZAVKCMFDKLM-SNVBAGLBSA-N 1 0 304.362 1.747 10 0 DDAERO CC1(C)C[NH2+]C[C@@H]1Nc1ncc(I)cn1 ZINC000721940449 699316112 /nfs/dbraw/zinc/31/61/12/699316112.db2.gz MIUUDHCXAGKRPV-QMMMGPOBSA-N 1 0 318.162 1.491 10 0 DDAERO Cc1nc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)sc1Br ZINC000723589759 699321495 /nfs/dbraw/zinc/32/14/95/699321495.db2.gz MIPZYHLFKIAFPH-QMMMGPOBSA-N 1 0 318.240 1.782 10 0 DDAERO CN(C[C@H]1CC[N@H+](C)C1)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724108682 699325034 /nfs/dbraw/zinc/32/50/34/699325034.db2.gz IQUWTFAHOFYGES-VHSXEESVSA-N 1 0 304.303 1.819 10 0 DDAERO C[NH+](C)Cc1cc(O[C@@H]2CCN(Cc3cc[nH]n3)C2)ccn1 ZINC000886072159 708692770 /nfs/dbraw/zinc/69/27/70/708692770.db2.gz YNQOHEDCLJPTBU-MRXNPFEDSA-N 1 0 301.394 1.520 10 0 DDAERO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2NC(=O)CCc2c[nH]cn2)C1 ZINC000886075317 708693056 /nfs/dbraw/zinc/69/30/56/708693056.db2.gz IZGLVEQCLPWPDN-KFWWJZLASA-N 1 0 306.410 1.100 10 0 DDAERO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)C(=O)CCc2c[nH]cn2)C1 ZINC000886082550 708695056 /nfs/dbraw/zinc/69/50/56/708695056.db2.gz NJUKNNUKACUVFT-OAGGEKHMSA-N 1 0 320.437 1.443 10 0 DDAERO Cc1cccc(CC[N@H+]2CCC[C@@](O)(Cc3nncn3C)C2)c1 ZINC000886088912 708696069 /nfs/dbraw/zinc/69/60/69/708696069.db2.gz PJCNENLUQIJGFU-GOSISDBHSA-N 1 0 314.433 1.736 10 0 DDAERO Cc1c[nH]cc1C(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000888094578 709211249 /nfs/dbraw/zinc/21/12/49/709211249.db2.gz CIFCEIDSQVYUGX-AIANPOQGSA-N 1 0 305.422 1.533 10 0 DDAERO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000900082554 709283388 /nfs/dbraw/zinc/28/33/88/709283388.db2.gz AWYZTXAHBHEGQU-LSCVPOLPSA-N 1 0 308.344 1.679 10 0 DDAERO C[S@](=N)(=O)c1ccc(NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000910486702 709968715 /nfs/dbraw/zinc/96/87/15/709968715.db2.gz PJJYOJONGZWHMP-BWFKNJDFSA-N 1 0 323.418 1.524 10 0 DDAERO CC[C@@H]1CN(c2nc(Cl)nc3nc[nH]c32)CC[N@@H+]1C[C@H](C)O ZINC000892356010 710423236 /nfs/dbraw/zinc/42/32/36/710423236.db2.gz ZLPGZZNOWXEQHV-VHSXEESVSA-N 1 0 324.816 1.288 10 0 DDAERO C[C@@H](c1ccc(F)nc1)N1C[C@H](C(N)=O)[C@@H](C(F)(F)F)C1 ZINC000930748422 713910407 /nfs/dbraw/zinc/91/04/07/713910407.db2.gz WVQYSDZXKFFFGB-HGNGGELXSA-N 1 0 305.275 1.877 10 0 DDAERO Cn1c2cc(CCC(=O)NCCC[NH+](C)C)ccc2oc1=O ZINC000074671222 185007751 /nfs/dbraw/zinc/00/77/51/185007751.db2.gz JVYZMQYGUDYMJM-UHFFFAOYSA-N 1 0 305.378 1.132 10 0 DDAERO c1ccc2c(c1)C[C@H](C[NH+]1CC(N3CCOCC3)C1)CCO2 ZINC000095519880 185377182 /nfs/dbraw/zinc/37/71/82/185377182.db2.gz WJZRMTPNKOGSNN-OAHLLOKOSA-N 1 0 302.418 1.644 10 0 DDAERO CC[NH2+][C@H]1CCC2(C[C@@H]1SCCC(=O)OC)OCCO2 ZINC000081788763 192324494 /nfs/dbraw/zinc/32/44/94/192324494.db2.gz RAWWXYOVPLPPAR-RYUDHWBXSA-N 1 0 303.424 1.556 10 0 DDAERO Cc1csc2nc(C)c(C[NH2+][C@H](C)CS(C)(=O)=O)n12 ZINC000081902265 192337238 /nfs/dbraw/zinc/33/72/38/192337238.db2.gz XGZHGXNCFZCETE-MRVPVSSYSA-N 1 0 301.437 1.535 10 0 DDAERO Cn1cnnc1SC[C@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000081866801 192333439 /nfs/dbraw/zinc/33/34/39/192333439.db2.gz TUDUSDNOWATSAO-NSHDSACASA-N 1 0 306.391 1.769 10 0 DDAERO [NH3+][C@H]1CCC2(C[C@@H]1Sc1ncnc3[nH]cnc31)OCCO2 ZINC000081876578 192333586 /nfs/dbraw/zinc/33/35/86/192333586.db2.gz CRHLKMUXVBJIOP-IUCAKERBSA-N 1 0 307.379 1.068 10 0 DDAERO CC[NH2+][C@@H]1c2ccccc2C[C@H]1Sc1n[nH]c(=O)n1CC ZINC000081879741 192334325 /nfs/dbraw/zinc/33/43/25/192334325.db2.gz GKWIKDFDPFYVFK-CHWSQXEVSA-N 1 0 304.419 1.959 10 0 DDAERO COc1ccc([C@@H]([NH3+])CSc2n[nH]c(=O)n2C(C)C)cc1 ZINC000081879501 192334530 /nfs/dbraw/zinc/33/45/30/192334530.db2.gz STUKFKKDELZLNB-LBPRGKRZSA-N 1 0 308.407 1.953 10 0 DDAERO C[C@H](CS(C)(=O)=O)[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000081901505 192335849 /nfs/dbraw/zinc/33/58/49/192335849.db2.gz DBAYRJZMQLLPGB-VXGBXAGGSA-N 1 0 313.419 1.932 10 0 DDAERO COC(=O)C[C@H]([NH2+][C@H](C)CS(C)(=O)=O)c1cccs1 ZINC000081900051 192335958 /nfs/dbraw/zinc/33/59/58/192335958.db2.gz OJWWSFIIYKIYFF-ZJUUUORDSA-N 1 0 305.421 1.375 10 0 DDAERO C[NH2+][C@H]1CCC2(C[C@H]1S(=O)(=O)c1cccs1)OCCO2 ZINC000081926528 192339460 /nfs/dbraw/zinc/33/94/60/192339460.db2.gz NMRGELFQBGXZIE-WDEREUQCSA-N 1 0 317.432 1.405 10 0 DDAERO COc1ccc([C@@H]([NH3+])CS(=O)(=O)CC(C)C)cc1OC ZINC000081929538 192341155 /nfs/dbraw/zinc/34/11/55/192341155.db2.gz IKKIBFOWBOCOML-LBPRGKRZSA-N 1 0 301.408 1.774 10 0 DDAERO CC[C@H](C)S(=O)(=O)C[C@@H]([NH2+]C)c1ccc2c(c1)OCCO2 ZINC000081938592 192342594 /nfs/dbraw/zinc/34/25/94/192342594.db2.gz JJUGZVRIXSXRPV-WCQYABFASA-N 1 0 313.419 1.932 10 0 DDAERO CC(=O)c1ccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1C ZINC000181285003 199275779 /nfs/dbraw/zinc/27/57/79/199275779.db2.gz HPMLYGUAILTZHX-HNNXBMFYSA-N 1 0 319.405 1.992 10 0 DDAERO Cc1cccc(C(=O)N2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000082348073 185176806 /nfs/dbraw/zinc/17/68/06/185176806.db2.gz MJUJMWRFEGEDOM-UHFFFAOYSA-N 1 0 301.434 1.847 10 0 DDAERO CC[C@H](C[NH3+])NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000087386288 185223247 /nfs/dbraw/zinc/22/32/47/185223247.db2.gz VFRCYIFRUIXQLN-MRVPVSSYSA-N 1 0 312.313 1.601 10 0 DDAERO CCNS(=O)(=O)c1ccccc1NC(=O)[C@H](C[NH3+])C(C)C ZINC000087519467 185227487 /nfs/dbraw/zinc/22/74/87/185227487.db2.gz KDPBODVBWNEQNQ-LLVKDONJSA-N 1 0 313.423 1.154 10 0 DDAERO CCC[C@H](C[NH3+])C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000087532683 185227799 /nfs/dbraw/zinc/22/77/99/185227799.db2.gz DABHJTCRZJSPIE-DGCLKSJQSA-N 1 0 312.435 1.642 10 0 DDAERO Cc1cc(F)c(C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cc1F ZINC000135880152 539194945 /nfs/dbraw/zinc/19/49/45/539194945.db2.gz MIKAWPVNBWTTMX-VXGBXAGGSA-N 1 0 312.360 1.800 10 0 DDAERO Cc1cc(CNS(=O)(=O)C[C@H]2CCCC[NH2+]2)sc1C ZINC000087581642 185228952 /nfs/dbraw/zinc/22/89/52/185228952.db2.gz DRJFOKPHIZPBEX-GFCCVEGCSA-N 1 0 302.465 1.926 10 0 DDAERO COC(=O)c1cccc(CSc2nnc(C)n2CC[NH3+])c1 ZINC000087715318 185230886 /nfs/dbraw/zinc/23/08/86/185230886.db2.gz WWBWHPFHFLRGAU-UHFFFAOYSA-N 1 0 306.391 1.624 10 0 DDAERO NNc1cc(NCc2ccc(Br)s2)nc(N)[nH+]1 ZINC000087880138 185234473 /nfs/dbraw/zinc/23/44/73/185234473.db2.gz UPKLNTFQWPNHAA-UHFFFAOYSA-N 1 0 315.200 1.781 10 0 DDAERO CCC[C@H]1CC[C@H]([NH2+]C)[C@H](S(=O)(=O)CC(=O)OCC)C1 ZINC000081977540 192347590 /nfs/dbraw/zinc/34/75/90/192347590.db2.gz YQHUNQHHXLPIOC-RWMBFGLXSA-N 1 0 305.440 1.521 10 0 DDAERO CC[NH2+][C@@H]1c2ccccc2C[C@@H]1S(=O)(=O)CCC(=O)OC ZINC000081975386 192347648 /nfs/dbraw/zinc/34/76/48/192347648.db2.gz GNISECVODCNOTB-DZGCQCFKSA-N 1 0 311.403 1.240 10 0 DDAERO CCN1CCC[C@H]1CNc1nc(NN)[nH+]cc1Br ZINC000087905158 185237263 /nfs/dbraw/zinc/23/72/63/185237263.db2.gz YDRLMUXSOFKMRX-QMMMGPOBSA-N 1 0 315.219 1.421 10 0 DDAERO C[C@@H]1CN(CC(=O)Nc2ncc(Cl)cc2Cl)CC[NH2+]1 ZINC000088060331 185238424 /nfs/dbraw/zinc/23/84/24/185238424.db2.gz FNXMXQDXPDTOGS-MRVPVSSYSA-N 1 0 303.193 1.621 10 0 DDAERO [NH3+]CCCS(=O)(=O)Cc1ccc(F)cc1Br ZINC000088067125 185238559 /nfs/dbraw/zinc/23/85/59/185238559.db2.gz FWOSAAPXYFWECO-UHFFFAOYSA-N 1 0 310.188 1.852 10 0 DDAERO COc1ccc(C[C@@H]([NH3+])[C@@H]2COCCO2)cc1Br ZINC000087857432 185233587 /nfs/dbraw/zinc/23/35/87/185233587.db2.gz QOAJQRBRIXUWSV-YPMHNXCESA-N 1 0 316.195 1.743 10 0 DDAERO C[NH2+][C@H](Cc1cccc(Br)c1)[C@H]1COCCO1 ZINC000087857458 185233668 /nfs/dbraw/zinc/23/36/68/185233668.db2.gz BORCHAKDORGSBH-CHWSQXEVSA-N 1 0 300.196 1.995 10 0 DDAERO NNc1cc(NCc2cccc(Br)c2)nc(N)[nH+]1 ZINC000087864101 185233775 /nfs/dbraw/zinc/23/37/75/185233775.db2.gz DCXSFMSZFGCUMR-UHFFFAOYSA-N 1 0 309.171 1.719 10 0 DDAERO CCOC(=O)CS(=O)(=O)[C@@H]1CCCc2ccccc2[C@H]1[NH3+] ZINC000081977460 192347940 /nfs/dbraw/zinc/34/79/40/192347940.db2.gz ANJWSWQWFMLCRH-UKRRQHHQSA-N 1 0 311.403 1.369 10 0 DDAERO Cc1ccc([C@H](C)[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)cc1F ZINC000181342246 539237933 /nfs/dbraw/zinc/23/79/33/539237933.db2.gz JPCITSYGRUBFFZ-RYUDHWBXSA-N 1 0 309.385 1.378 10 0 DDAERO C[NH2+][C@H](CCO)CS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000088312279 185245166 /nfs/dbraw/zinc/24/51/66/185245166.db2.gz JNJDYGDGQZAWGW-MRVPVSSYSA-N 1 0 312.218 1.738 10 0 DDAERO CCC[NH2+][C@](C)(CCN1CCC(C(F)(F)F)CC1)C(N)=O ZINC000088435444 185250525 /nfs/dbraw/zinc/25/05/25/185250525.db2.gz DOWKPBZCVNCMMD-CYBMUJFWSA-N 1 0 309.376 1.894 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(CC)CC(F)(F)F)o1 ZINC000088544055 185256801 /nfs/dbraw/zinc/25/68/01/185256801.db2.gz IPCOXSMXRMLACW-UHFFFAOYSA-N 1 0 314.329 1.962 10 0 DDAERO CC[C@@H](C(N)=S)S(=O)(=O)NCCCC[N@H+](C)C(C)C ZINC000088489137 185253674 /nfs/dbraw/zinc/25/36/74/185253674.db2.gz QFJQEJVQVZWJJM-NSHDSACASA-N 1 0 309.501 1.091 10 0 DDAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)N[C@H]2CCOC2)C1 ZINC000251853238 282205201 /nfs/dbraw/zinc/20/52/01/282205201.db2.gz QOSZUHZSANSIAS-CVEARBPZSA-N 1 0 318.421 1.334 10 0 DDAERO C[C@@H]([NH2+]CCN1CCCS1(=O)=O)c1ccc(F)c(F)c1 ZINC000358140775 299085866 /nfs/dbraw/zinc/08/58/66/299085866.db2.gz YFVZXRLRQZGSLV-SNVBAGLBSA-N 1 0 304.362 1.651 10 0 DDAERO CCc1nc2n(n1)CCC[C@H]2NC(=O)NCC1CC[NH+](C)CC1 ZINC000088559112 185257942 /nfs/dbraw/zinc/25/79/42/185257942.db2.gz SSVYINZGLIPSSO-CYBMUJFWSA-N 1 0 320.441 1.316 10 0 DDAERO C[NH2+]Cc1ncnn1CCOc1ccc(Br)cc1 ZINC000088628712 185260383 /nfs/dbraw/zinc/26/03/83/185260383.db2.gz DQOUWYNVJYFTGW-UHFFFAOYSA-N 1 0 311.183 1.839 10 0 DDAERO C[NH+](C)CCNC(=O)c1sc2nc3c(cc2c1N)CCC3 ZINC000088639076 185260532 /nfs/dbraw/zinc/26/05/32/185260532.db2.gz OBENLYFZJPELKR-UHFFFAOYSA-N 1 0 304.419 1.659 10 0 DDAERO C[C@@H](c1ccc(Br)s1)N1CC[NH2+]C[C@@H]1C(N)=O ZINC000088659680 185261797 /nfs/dbraw/zinc/26/17/97/185261797.db2.gz DZJNMPUQPFKQQD-JGVFFNPUSA-N 1 0 318.240 1.331 10 0 DDAERO C[C@H](c1ccc(Cl)cc1Cl)N1CC[NH2+]C[C@@H]1C(N)=O ZINC000088659579 185261808 /nfs/dbraw/zinc/26/18/08/185261808.db2.gz OCXQEFBEPUFGCV-PRHODGIISA-N 1 0 302.205 1.814 10 0 DDAERO CCOC(=O)[C@H]1C[NH2+]CCN1Cc1ccc(Cl)c(F)c1 ZINC000088658103 185261910 /nfs/dbraw/zinc/26/19/10/185261910.db2.gz GFYVSMCJGAPSRX-CYBMUJFWSA-N 1 0 300.761 1.816 10 0 DDAERO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)C[C@H](C)O1 ZINC000245502447 539268442 /nfs/dbraw/zinc/26/84/42/539268442.db2.gz FVXYNJZAXPFMKB-LXTVHRRPSA-N 1 0 313.442 1.088 10 0 DDAERO CNC(=O)[C@@H]1CCCN1C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000245779450 539268806 /nfs/dbraw/zinc/26/88/06/539268806.db2.gz HKQMDSRFOSLXNQ-GJZGRUSLSA-N 1 0 324.469 1.419 10 0 DDAERO 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317.429 1.919 10 0 DDAERO COC[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(F)c(F)c1 ZINC000183217812 199557055 /nfs/dbraw/zinc/55/70/55/199557055.db2.gz UXTPUDFPEKOYDI-RISCZKNCSA-N 1 0 308.332 1.848 10 0 DDAERO CC(C)C[NH2+]C[C@@]1(CN2CCS(=O)CC2)CCCOC1 ZINC000111326816 185582779 /nfs/dbraw/zinc/58/27/79/185582779.db2.gz SKRMZELAANTZEX-OAHLLOKOSA-N 1 0 302.484 1.093 10 0 DDAERO CCC[NH2+][C@@H](C)[C@@H]1CCCCN1S(=O)(=O)N1CCCC1 ZINC000111715796 185630149 /nfs/dbraw/zinc/63/01/49/185630149.db2.gz IPVPRRBTWKXIFF-KBPBESRZSA-N 1 0 303.472 1.570 10 0 DDAERO COCC(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000115157991 185663616 /nfs/dbraw/zinc/66/36/16/185663616.db2.gz MVDRELHNJISHOU-MRXNPFEDSA-N 1 0 306.406 1.195 10 0 DDAERO CC(C)(C)OC(=O)NCCN1CC[NH2+][C@H](c2ccccn2)C1 ZINC000616634612 362765096 /nfs/dbraw/zinc/76/50/96/362765096.db2.gz WATSFMWLEQNAHD-AWEZNQCLSA-N 1 0 306.410 1.553 10 0 DDAERO CC1(C)C[C@@](C[NH3+])(N2CCN(CC(F)(F)F)CC2)CCO1 ZINC000070363103 190882738 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192387010 /nfs/dbraw/zinc/38/70/10/192387010.db2.gz LHEPQOOFJSSXMW-LLVKDONJSA-N 1 0 303.143 1.558 10 0 DDAERO C[C@H](Nc1ccc(S(N)(=O)=O)cc1F)[C@H]1CCC[NH2+]C1 ZINC000071391196 190966005 /nfs/dbraw/zinc/96/60/05/190966005.db2.gz HZQASNKFCMKGSO-UWVGGRQHSA-N 1 0 301.387 1.273 10 0 DDAERO CS(=O)(=O)c1ccc([S@@](=O)CCC[NH2+]C2CC2)cc1 ZINC000084055893 192398059 /nfs/dbraw/zinc/39/80/59/192398059.db2.gz SGTLNQPUPIEKPY-GOSISDBHSA-N 1 0 301.433 1.340 10 0 DDAERO CC[C@H](C)NC(=O)Cn1c2ccc(OC)cc2nc1[C@H](C)[NH3+] ZINC000071667932 191002247 /nfs/dbraw/zinc/00/22/47/191002247.db2.gz QYIYTLXHWQTDPU-QWRGUYRKSA-N 1 0 304.394 1.979 10 0 DDAERO CN1CCc2n[nH]c(C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)c2C1 ZINC000072144658 191051921 /nfs/dbraw/zinc/05/19/21/191051921.db2.gz PSVFBQQFRMDLTE-ZDUSSCGKSA-N 1 0 317.437 1.098 10 0 DDAERO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2c[nH]c(=O)[nH]2)C1 ZINC000072168734 191067865 /nfs/dbraw/zinc/06/78/65/191067865.db2.gz POGIFTILQOYPJV-CQSZACIVSA-N 1 0 314.389 1.440 10 0 DDAERO 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TZBMKNKZFJANAN-CQSZACIVSA-N 1 0 314.389 1.279 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(Cc2cc(-c3ccco3)on2)CC1 ZINC000174095160 198291027 /nfs/dbraw/zinc/29/10/27/198291027.db2.gz LXLIAHOHFCJQIO-CQSZACIVSA-N 1 0 305.378 1.823 10 0 DDAERO CC[C@H]1CN(C(=O)Cc2ccccc2C)CC[N@@H+]1C[C@@H](C)O ZINC000174591077 198356865 /nfs/dbraw/zinc/35/68/65/198356865.db2.gz PJYJZPZQCLKZKO-WBVHZDCISA-N 1 0 304.434 1.841 10 0 DDAERO Cc1nccn1-c1cncc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000092922740 353876588 /nfs/dbraw/zinc/87/65/88/353876588.db2.gz IBBJIWKBMMJSKC-CABCVRRESA-N 1 0 312.421 1.891 10 0 DDAERO COC(=O)C[C@@H]([NH3+])c1ccc(I)cc1 ZINC000095777927 353912478 /nfs/dbraw/zinc/91/24/78/353912478.db2.gz AVPVIAJZEPDUSS-SECBINFHSA-N 1 0 305.115 1.854 10 0 DDAERO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000119972767 354008190 /nfs/dbraw/zinc/00/81/90/354008190.db2.gz IEJNIBGALFVBIK-OLZOCXBDSA-N 1 0 307.394 1.341 10 0 DDAERO O=C1OCc2cc(CCN3CC[NH2+]C[C@@H]3C(F)(F)F)ccc21 ZINC000168522387 354251223 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C[NH+](C)C1([C@H](O)C[C@H]2CCCN(S(C)(=O)=O)C2)CCCC1 ZINC000093699747 193293448 /nfs/dbraw/zinc/29/34/48/193293448.db2.gz FQOXTSOKLZNFLP-ZIAGYGMSSA-N 1 0 318.483 1.283 10 0 DDAERO CC[N@@H+]1CCC[C@@](O)(C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093699039 193293640 /nfs/dbraw/zinc/29/36/40/193293640.db2.gz CVAVXXGGXIPXIX-GJZGRUSLSA-N 1 0 318.483 1.285 10 0 DDAERO CC[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccncc1 ZINC000093699912 193293879 /nfs/dbraw/zinc/29/38/79/193293879.db2.gz PQSYOHWWDLXZJF-DZGCQCFKSA-N 1 0 311.451 1.794 10 0 DDAERO CC[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1cnn(C)c1 ZINC000093700521 193294292 /nfs/dbraw/zinc/29/42/92/193294292.db2.gz GROIFMPIHQQRIT-OCCSQVGLSA-N 1 0 314.455 1.132 10 0 DDAERO CC[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccco1 ZINC000093700233 193294410 /nfs/dbraw/zinc/29/44/10/193294410.db2.gz RZDXGPCBCIQLDF-OLZOCXBDSA-N 1 0 300.424 1.992 10 0 DDAERO CCC[NH2+][C@@H](COCC)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700676 193295092 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CC[NH2+]Cc1cc(F)c(O[C@H]2CCS(=O)(=O)C2)c(F)c1 ZINC000094346975 193363062 /nfs/dbraw/zinc/36/30/62/193363062.db2.gz YVYMUCCPZYLIKG-JTQLQIEISA-N 1 0 305.346 1.640 10 0 DDAERO COCC[NH2+]Cc1cc(F)c(OC[C@H](O)COC)c(F)c1 ZINC000094348222 193363377 /nfs/dbraw/zinc/36/33/77/193363377.db2.gz IDGVQJYDSZQIKI-LLVKDONJSA-N 1 0 305.321 1.087 10 0 DDAERO CC[NH2+]Cc1cc(F)c(OCCS(=O)(=O)CC)c(F)c1 ZINC000094347028 193363639 /nfs/dbraw/zinc/36/36/39/193363639.db2.gz MDQDZIUQWCLAHT-UHFFFAOYSA-N 1 0 307.362 1.888 10 0 DDAERO CC(C)[N@H+](C)CC1CCN(C(=O)[C@](C)(N)C(F)(F)F)CC1 ZINC000094235676 193353896 /nfs/dbraw/zinc/35/38/96/193353896.db2.gz XHNQTLYDORFMDT-ZDUSSCGKSA-N 1 0 309.376 1.845 10 0 DDAERO CC[NH2+]Cc1ccc(O[C@H]2CCC[C@H](S(C)(=O)=O)C2)cn1 ZINC000094634583 193386080 /nfs/dbraw/zinc/38/60/80/193386080.db2.gz GXLZVQFNYUGIRK-ZFWWWQNUSA-N 1 0 312.435 1.926 10 0 DDAERO CS(=O)(=O)[C@@H]1CCC[C@H](Oc2ccc3c(c2)OC[C@@H]3[NH3+])C1 ZINC000094634514 193386288 /nfs/dbraw/zinc/38/62/88/193386288.db2.gz YURXAOLQJGFSPQ-SUHUHFCYSA-N 1 0 311.403 1.813 10 0 DDAERO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)cc1N ZINC000094639077 193388229 /nfs/dbraw/zinc/38/82/29/193388229.db2.gz KWNDKCJMDNSFOI-JTQLQIEISA-N 1 0 317.842 1.555 10 0 DDAERO C(c1nc([C@H]2CSCCS2)no1)N1CCC[NH2+]CC1 ZINC000094495741 193373963 /nfs/dbraw/zinc/37/39/63/193373963.db2.gz SYCNANCTDKVKBQ-SNVBAGLBSA-N 1 0 300.453 1.386 10 0 DDAERO C[NH2+][C@H](Cc1cc(Cl)ccc1OC)[C@H]1CN2CCN1CC2 ZINC000094509268 193375199 /nfs/dbraw/zinc/37/51/99/193375199.db2.gz QIBRTDNAJKAMLQ-HUUCEWRRSA-N 1 0 309.841 1.479 10 0 DDAERO C[C@@H]1C[C@@H]([NH3+])CN(S(=O)(=O)c2cccc3cnccc32)C1 ZINC000094550471 193378827 /nfs/dbraw/zinc/37/88/27/193378827.db2.gz NUCMQCOJQFBQQS-DGCLKSJQSA-N 1 0 305.403 1.593 10 0 DDAERO Cc1cc(F)c(N)cc1S(=O)(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000094779642 193397126 /nfs/dbraw/zinc/39/71/26/193397126.db2.gz FKJOVIRFYAXSGC-LLVKDONJSA-N 1 0 315.414 1.431 10 0 DDAERO CCC1(CC)CCN(S(=O)(=O)c2n[nH]cc2C[NH2+]C)C1 ZINC000094815096 193399982 /nfs/dbraw/zinc/39/99/82/193399982.db2.gz WFECPEALPUILAT-UHFFFAOYSA-N 1 0 300.428 1.330 10 0 DDAERO CCN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@@H](C)CS(=O)(=O)CC ZINC000261639513 284210065 /nfs/dbraw/zinc/21/00/65/284210065.db2.gz CNKMOYOIRQPOKE-YNEHKIRRSA-N 1 0 304.456 1.033 10 0 DDAERO O=C(NCc1cccnc1)[C@@H]1C[C@H]2[C@H](CC[N@@H+]2CC2CC2)O1 ZINC000096186583 193567036 /nfs/dbraw/zinc/56/70/36/193567036.db2.gz FONCFJLQPZKDKW-JYJNAYRXSA-N 1 0 301.390 1.340 10 0 DDAERO C[NH+](C)C[C@@H]1C[C@@H](O)CN1c1ccc(Br)cc1N ZINC000097245460 193698409 /nfs/dbraw/zinc/69/84/09/193698409.db2.gz GHZVNCJEIBNNMG-WDEREUQCSA-N 1 0 314.227 1.533 10 0 DDAERO C[NH2+][C@H](CCc1ccco1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000097309394 193707173 /nfs/dbraw/zinc/70/71/73/193707173.db2.gz ROFKMZJTLYJDGG-ZIAGYGMSSA-N 1 0 314.451 1.862 10 0 DDAERO Cc1ccsc1[C@H](C[NH3+])N1CCN(c2ncccn2)CC1 ZINC000021499800 182275285 /nfs/dbraw/zinc/27/52/85/182275285.db2.gz FNVFBAJDUAGLEN-ZDUSSCGKSA-N 1 0 303.435 1.669 10 0 DDAERO C[NH2+]C[C@H]1CN(S(=O)(=O)c2cc(F)ccc2Cl)CCO1 ZINC000097896769 193765844 /nfs/dbraw/zinc/76/58/44/193765844.db2.gz MOZPIHKUIRLJGM-JTQLQIEISA-N 1 0 322.789 1.088 10 0 DDAERO [NH3+]CCc1nc2ccc(Cl)cc2n1CCC[NH+]1CCOCC1 ZINC000040406230 183062282 /nfs/dbraw/zinc/06/22/82/183062282.db2.gz BRRSLRJVWILOPZ-UHFFFAOYSA-N 1 0 322.840 1.913 10 0 DDAERO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(Br)c(N)c2)C1 ZINC000040671592 183115664 /nfs/dbraw/zinc/11/56/64/183115664.db2.gz AZNMVFDQXDLFLG-JTQLQIEISA-N 1 0 312.211 1.855 10 0 DDAERO CS(=O)(=O)c1ccc(C(=O)N2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749570 183128577 /nfs/dbraw/zinc/12/85/77/183128577.db2.gz DIMYOAMXUDMMLU-YHWZYXNKSA-N 1 0 308.403 1.184 10 0 DDAERO COC(=O)COC[C@@H]([NH3+])c1cc2c(cc1Cl)OCCCO2 ZINC000041072123 183163456 /nfs/dbraw/zinc/16/34/56/183163456.db2.gz ZARWVCIZCLAGDD-LLVKDONJSA-N 1 0 315.753 1.691 10 0 DDAERO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cnc(Cl)s1 ZINC000041679082 183216334 /nfs/dbraw/zinc/21/63/34/183216334.db2.gz JDWVUCFTROILJE-MRVPVSSYSA-N 1 0 311.860 1.805 10 0 DDAERO CCCN(CC[NH+](C)C)S(=O)(=O)c1ccc([C@H](C)O)cc1 ZINC000041684820 183216687 /nfs/dbraw/zinc/21/66/87/183216687.db2.gz QKZMZXJIKDPBAE-ZDUSSCGKSA-N 1 0 314.451 1.702 10 0 DDAERO C[C@@H]([NH2+]Cc1cccc(Br)c1)C(=O)NC(N)=O ZINC000042418967 183267718 /nfs/dbraw/zinc/26/77/18/183267718.db2.gz NRKLGBDFCHRMSQ-SSDOTTSWSA-N 1 0 300.156 1.122 10 0 DDAERO CN(Cc1cccc(Br)c1)S(=O)(=O)CCC[NH3+] ZINC000042440706 183270046 /nfs/dbraw/zinc/27/00/46/183270046.db2.gz JRZWIPKQQDIXAL-UHFFFAOYSA-N 1 0 321.240 1.560 10 0 DDAERO CC(C)N(CC(N)=O)c1nc2sccn2c1C[NH2+]C1CC1 ZINC000042438460 183270649 /nfs/dbraw/zinc/27/06/49/183270649.db2.gz CAZZEOYVRFMIHP-UHFFFAOYSA-N 1 0 307.423 1.348 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)N(CCO)C2CCCCC2)cc1 ZINC000042514371 183278532 /nfs/dbraw/zinc/27/85/32/183278532.db2.gz QEJGJAYNMHAYHF-UHFFFAOYSA-N 1 0 312.435 1.461 10 0 DDAERO CC(C)(C)C(=O)N1CCC([NH2+]C2CCS(=O)CC2)CC1 ZINC000042353468 183257148 /nfs/dbraw/zinc/25/71/48/183257148.db2.gz BWAFTBGHRYUNOX-UHFFFAOYSA-N 1 0 300.468 1.524 10 0 DDAERO CC[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCS(=O)(=O)CC1 ZINC000043014592 183327397 /nfs/dbraw/zinc/32/73/97/183327397.db2.gz HHGVKDBTJYVUIN-KGLIPLIRSA-N 1 0 316.854 1.849 10 0 DDAERO [NH3+][C@H](c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300016 183352165 /nfs/dbraw/zinc/35/21/65/183352165.db2.gz BBFNLYGGQYHXMU-GXSJLCMTSA-N 1 0 304.209 1.884 10 0 DDAERO CC[NH+](CC)CCN[C@@H](C(N)=O)c1ccc(Cl)c(F)c1 ZINC000043390827 183358956 /nfs/dbraw/zinc/35/89/56/183358956.db2.gz ISXGSRHPVCRGKH-CYBMUJFWSA-N 1 0 301.793 1.937 10 0 DDAERO CCNC(=O)CN(C)[C@H](C[NH3+])c1ccccc1Br ZINC000043092996 183335653 /nfs/dbraw/zinc/33/56/53/183335653.db2.gz QJXOJIXSGRYYNP-GFCCVEGCSA-N 1 0 314.227 1.517 10 0 DDAERO CC[NH2+]Cc1ccc(OCC(=O)NCCCOC)c(Cl)c1 ZINC000043478984 183366070 /nfs/dbraw/zinc/36/60/70/183366070.db2.gz DITNTTPWANOUFJ-UHFFFAOYSA-N 1 0 314.813 1.981 10 0 DDAERO CC(C)[C@H](C[NH+](C)C)NS(=O)(=O)c1ccc(N)cc1F ZINC000043593123 183374773 /nfs/dbraw/zinc/37/47/73/183374773.db2.gz ULJNVXCBSHFSJV-LBPRGKRZSA-N 1 0 303.403 1.272 10 0 DDAERO CCC[NH2+][C@@H]1CCC2(C[C@H]1N(C)[C@@H](C)COC)OCCO2 ZINC000043969503 183391219 /nfs/dbraw/zinc/39/12/19/183391219.db2.gz XCLIQGPSKLZEEN-RRFJBIMHSA-N 1 0 300.443 1.617 10 0 DDAERO Cc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1C(N)=O ZINC000105033757 194066132 /nfs/dbraw/zinc/06/61/32/194066132.db2.gz RRCWRSMEYNTBPJ-CQSZACIVSA-N 1 0 316.405 1.796 10 0 DDAERO CCCCc1nc(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)no1 ZINC000105862682 194149904 /nfs/dbraw/zinc/14/99/04/194149904.db2.gz KECGHYHYHREROY-CQSZACIVSA-N 1 0 324.469 1.937 10 0 DDAERO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000105883012 194155226 /nfs/dbraw/zinc/15/52/26/194155226.db2.gz FVHSBAVYEASMNP-OAHLLOKOSA-N 1 0 314.389 1.977 10 0 DDAERO C[NH+](C)C[C@@H]1CN(Cc2nc(-c3ccc(F)cc3)no2)CCO1 ZINC000105926926 194172821 /nfs/dbraw/zinc/17/28/21/194172821.db2.gz BMEFNBKMUFRMNO-CQSZACIVSA-N 1 0 320.368 1.638 10 0 DDAERO COC[C@@H](C)NC(=O)COc1ccc(Cl)cc1C[C@@H](C)[NH3+] ZINC000049291769 183724143 /nfs/dbraw/zinc/72/41/43/183724143.db2.gz YTMFNPUUIDRLFR-GHMZBOCLSA-N 1 0 314.813 1.760 10 0 DDAERO O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000049643924 183751139 /nfs/dbraw/zinc/75/11/39/183751139.db2.gz SMVCMNFZVCBZMY-LSDHHAIUSA-N 1 0 300.468 1.828 10 0 DDAERO Cc1nc(C)c([C@H](C)NS(=O)(=O)C2CC[NH2+]CC2)s1 ZINC000049646259 183751797 /nfs/dbraw/zinc/75/17/97/183751797.db2.gz JBTWPGZCSISPDB-VIFPVBQESA-N 1 0 303.453 1.492 10 0 DDAERO COc1ccc(-c2nnc(C(=O)NCCC[NH+](C)C)o2)cc1 ZINC000049685122 183753759 /nfs/dbraw/zinc/75/37/59/183753759.db2.gz YJBPBFPGQMFLTC-UHFFFAOYSA-N 1 0 304.350 1.427 10 0 DDAERO CC(C)(C[NH3+])N1CCN(S(=O)(=O)CC2CCCCC2)CC1 ZINC000109451469 194264555 /nfs/dbraw/zinc/26/45/55/194264555.db2.gz SSSIKYFFOTTWRD-UHFFFAOYSA-N 1 0 317.499 1.251 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN(CCOCC(F)(F)F)CC1 ZINC000109469014 194266523 /nfs/dbraw/zinc/26/65/23/194266523.db2.gz YEENLLRPEAWKGY-SNVBAGLBSA-N 1 0 313.389 1.248 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN(C(=O)c2ccc(C)o2)CC1 ZINC000109464313 194266076 /nfs/dbraw/zinc/26/60/76/194266076.db2.gz GTOOPEYBAMWLQR-GFCCVEGCSA-N 1 0 309.435 1.801 10 0 DDAERO CC[C@@H]([NH2+]C)c1cccc(S(=O)(=O)N[C@@H]2CCCOC2)c1 ZINC000109550572 194272966 /nfs/dbraw/zinc/27/29/66/194272966.db2.gz ZTKCJQMJWZSDRI-UKRRQHHQSA-N 1 0 312.435 1.814 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN([C@H](C)C(=O)OCC)CC1 ZINC000109470023 194267184 /nfs/dbraw/zinc/26/71/84/194267184.db2.gz INVSEMPXKNATGS-VXGBXAGGSA-N 1 0 301.456 1.010 10 0 DDAERO O=S(=O)(CCc1ccncc1)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051359276 183824751 /nfs/dbraw/zinc/82/47/51/183824751.db2.gz YIUISQZZHSYTBK-GJZGRUSLSA-N 1 0 309.435 1.170 10 0 DDAERO O=S1(=O)N=C(N2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000051360450 183825592 /nfs/dbraw/zinc/82/55/92/183825592.db2.gz JEYMQQBUIXRHJH-QWHCGFSZSA-N 1 0 305.403 1.352 10 0 DDAERO CC(C)(C)[NH2+]Cc1coc(CN2CCS(=O)(=O)CC2)c1 ZINC000052480332 183861732 /nfs/dbraw/zinc/86/17/32/183861732.db2.gz MZWBQKODQQBDSS-UHFFFAOYSA-N 1 0 300.424 1.398 10 0 DDAERO C[C@H]1Cc2ccccc2N(CC[NH2+][C@@H]2CCS(=O)(=O)C2)C1 ZINC000110227716 194317288 /nfs/dbraw/zinc/31/72/88/194317288.db2.gz KVPINAUYVRAZHD-DZGCQCFKSA-N 1 0 308.447 1.462 10 0 DDAERO CC[NH+](CC)[C@H]1CCN(C(=O)C2(C(N)=S)CCOCC2)C1 ZINC000110272599 194319634 /nfs/dbraw/zinc/31/96/34/194319634.db2.gz DZQPCIONVBTRGZ-LBPRGKRZSA-N 1 0 313.467 1.012 10 0 DDAERO Cc1nnc(N2CC[C@H]([NH+]3CCCC3)C2)c(C(N)=S)c1C ZINC000110278517 194319034 /nfs/dbraw/zinc/31/90/34/194319034.db2.gz OCOBBFKIXWERQU-LBPRGKRZSA-N 1 0 305.451 1.402 10 0 DDAERO CC[C@@H]1C[NH2+]CCN1c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000110678175 194349343 /nfs/dbraw/zinc/34/93/43/194349343.db2.gz ZSDHWAYIFCYBEQ-SNVBAGLBSA-N 1 0 304.362 1.871 10 0 DDAERO C[C@H]1CN(c2nc3c(cc2C(N)=S)CCCC3)CC[N@@H+]1C ZINC000110755874 194356504 /nfs/dbraw/zinc/35/65/04/194356504.db2.gz BJISPHZTZHQLQX-NSHDSACASA-N 1 0 304.463 1.735 10 0 DDAERO CN(CC(=O)N1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000054186993 183929093 /nfs/dbraw/zinc/92/90/93/183929093.db2.gz HFDKGHOSWVQMDJ-UHFFFAOYSA-N 1 0 301.312 1.573 10 0 DDAERO CCCN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1cncc(F)c1 ZINC000110942413 194371691 /nfs/dbraw/zinc/37/16/91/194371691.db2.gz WTHGIVOPVBPEFH-LBPRGKRZSA-N 1 0 301.387 1.373 10 0 DDAERO CCN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1c[nH]c2ncccc12 ZINC000110941375 194372700 /nfs/dbraw/zinc/37/27/00/194372700.db2.gz PZLTULUMLMMSMF-NSHDSACASA-N 1 0 308.407 1.326 10 0 DDAERO COc1ccc(N(CCC[NH3+])S(=O)(=O)C(C)(C)C)cc1 ZINC000111071246 194388778 /nfs/dbraw/zinc/38/87/78/194388778.db2.gz ULKNXCAHBCIYHR-UHFFFAOYSA-N 1 0 300.424 1.979 10 0 DDAERO COC(=O)[C@@](C)(CCCC[N@H+](C)CCN(C)C)NC(C)C ZINC000111144818 194395091 /nfs/dbraw/zinc/39/50/91/194395091.db2.gz AYJBDAWTNKEEIW-MRXNPFEDSA-N 1 0 301.475 1.580 10 0 DDAERO COc1cc(Br)ccc1C(=O)N[C@H]1CC[N@H+](C)C1 ZINC000111159977 194397796 /nfs/dbraw/zinc/39/77/96/194397796.db2.gz JFFRCBFQCYTBFI-JTQLQIEISA-N 1 0 313.195 1.892 10 0 DDAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)Nc1cc(F)cc(F)c1F ZINC000061120925 184162717 /nfs/dbraw/zinc/16/27/17/184162717.db2.gz RMVLTTZPPXNJAI-VIFPVBQESA-N 1 0 308.325 1.988 10 0 DDAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cc(C(=O)OC)c(F)cc1F ZINC000061233770 184166710 /nfs/dbraw/zinc/16/67/10/184166710.db2.gz SWYFVSSJFXRENV-MRVPVSSYSA-N 1 0 300.305 1.936 10 0 DDAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000061231243 184166861 /nfs/dbraw/zinc/16/68/61/184166861.db2.gz LWFNQNPYGRXJLC-NSHDSACASA-N 1 0 313.423 1.121 10 0 DDAERO CC[NH2+][C@@H](C)CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000061272204 184167233 /nfs/dbraw/zinc/16/72/33/184167233.db2.gz WBLFUOZKMFBPIB-MJBXVCDLSA-N 1 0 300.468 1.888 10 0 DDAERO CC[NH2+][C@@H](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000061271088 184167385 /nfs/dbraw/zinc/16/73/85/184167385.db2.gz DLIBRSHUEOWZDG-QMMMGPOBSA-N 1 0 319.814 1.314 10 0 DDAERO COCC[N@H+](C)CCN[C@H](c1cccs1)c1nccn1C ZINC000061376681 184169656 /nfs/dbraw/zinc/16/96/56/184169656.db2.gz IKMJVIHCPVBCSP-CQSZACIVSA-N 1 0 308.451 1.739 10 0 DDAERO C[NH+]1CCC(CNc2nc(Cl)nc(-n3ccnc3)n2)CC1 ZINC000061540782 184173737 /nfs/dbraw/zinc/17/37/37/184173737.db2.gz WFIIWSGVQRJXIK-UHFFFAOYSA-N 1 0 307.789 1.464 10 0 DDAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C)c1ccccc1OC ZINC000061592555 184175760 /nfs/dbraw/zinc/17/57/60/184175760.db2.gz XHTMSBIHBAWJEK-CMPLNLGQSA-N 1 0 308.407 1.688 10 0 DDAERO NC(=S)[C@@H](C(=O)N[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000061615815 184178769 /nfs/dbraw/zinc/17/87/69/184178769.db2.gz HREBVAZERWIMFW-KGLIPLIRSA-N 1 0 303.431 1.267 10 0 DDAERO NC(=S)[C@H](C(=O)N[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000061615816 184178773 /nfs/dbraw/zinc/17/87/73/184178773.db2.gz HREBVAZERWIMFW-ZIAGYGMSSA-N 1 0 303.431 1.267 10 0 DDAERO CCNc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)cc1 ZINC000061655945 184180852 /nfs/dbraw/zinc/18/08/52/184180852.db2.gz DLKFATQOJSMVDU-AWEZNQCLSA-N 1 0 311.451 1.833 10 0 DDAERO CC[C@H](Oc1ccc(Br)cc1C[C@H](C)[NH3+])C(N)=O ZINC000061678369 184181594 /nfs/dbraw/zinc/18/15/94/184181594.db2.gz UXNSGWFNCPIHDC-KWQFWETISA-N 1 0 315.211 1.982 10 0 DDAERO [NH3+]CC1CCC(C(=O)N2CCN(CC(F)(F)F)CC2)CC1 ZINC000061951195 184198441 /nfs/dbraw/zinc/19/84/41/184198441.db2.gz WQFMKQJCNNBCHY-UHFFFAOYSA-N 1 0 307.360 1.458 10 0 DDAERO CNc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000062072891 184204658 /nfs/dbraw/zinc/20/46/58/184204658.db2.gz YPOKTHNZOKWIBL-CYBMUJFWSA-N 1 0 311.451 1.739 10 0 DDAERO CNc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)cn1 ZINC000062084388 184204971 /nfs/dbraw/zinc/20/49/71/184204971.db2.gz MPBHZCQORGVGLT-GFCCVEGCSA-N 1 0 312.439 1.134 10 0 DDAERO C[NH+](C)CCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000062127081 184207395 /nfs/dbraw/zinc/20/73/95/184207395.db2.gz GXJGFVFMWUSELM-UHFFFAOYSA-N 1 0 304.394 1.314 10 0 DDAERO COc1cccc(CCS(=O)(=O)NCC(C)(C)[NH+](C)C)c1 ZINC000062364760 184232672 /nfs/dbraw/zinc/23/26/72/184232672.db2.gz MVFWSHCPEBYHGE-UHFFFAOYSA-N 1 0 314.451 1.497 10 0 DDAERO C[C@H]1CN[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C[NH2+]1 ZINC000062813883 184254218 /nfs/dbraw/zinc/25/42/18/184254218.db2.gz ILZWOXXISWWIPZ-KWQFWETISA-N 1 0 303.284 1.474 10 0 DDAERO NC(=S)c1cccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000062942991 184261665 /nfs/dbraw/zinc/26/16/65/184261665.db2.gz GGKPBRAWGMZOSJ-AWEZNQCLSA-N 1 0 303.431 1.631 10 0 DDAERO Cc1csc(CCNS(=O)(=O)C[C@H]2CCCC[NH2+]2)n1 ZINC000063136119 184273336 /nfs/dbraw/zinc/27/33/36/184273336.db2.gz NAZUESNGYOUMGO-LLVKDONJSA-N 1 0 303.453 1.056 10 0 DDAERO [NH3+][C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccccc1Br ZINC000063174847 184276135 /nfs/dbraw/zinc/27/61/35/184276135.db2.gz IBRJAKIPXBELOP-ZJUUUORDSA-N 1 0 319.224 1.607 10 0 DDAERO [NH3+][C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000063175293 184276291 /nfs/dbraw/zinc/27/62/91/184276291.db2.gz MLNIEGXVRNKJNK-GHMZBOCLSA-N 1 0 324.324 1.743 10 0 DDAERO [NH3+]C[C@@]1(N2CC[C@@H]3CCCC[C@@H]3C2)CCCS(=O)(=O)C1 ZINC000069138220 184500548 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CCOC(=O)c1cnc2ccc(OC)cc2c1N1CC[NH2+]CC1 ZINC000053994924 407176459 /nfs/dbraw/zinc/17/64/59/407176459.db2.gz GUZRWGQRLHTWDS-UHFFFAOYSA-N 1 0 315.373 1.830 10 0 DDAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000123013582 407317200 /nfs/dbraw/zinc/31/72/00/407317200.db2.gz MZCIEKLHXVMKJD-UONOGXRCSA-N 1 0 320.441 1.390 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(Cc2cnc3c(C)cccn23)CC1 ZINC000123564522 407332801 /nfs/dbraw/zinc/33/28/01/407332801.db2.gz XEIANNZPIUYWES-MRXNPFEDSA-N 1 0 302.422 1.531 10 0 DDAERO Cc1ccc(CC[NH+]2CCN(c3ccc4nncn4n3)CC2)cc1 ZINC000124584117 407362443 /nfs/dbraw/zinc/36/24/43/407362443.db2.gz VQIMXZLTHOZTJE-UHFFFAOYSA-N 1 0 322.416 1.797 10 0 DDAERO CCc1ccc([C@@H]2CCCCN2CCNS(C)(=O)=O)o1 ZINC000124823681 407370431 /nfs/dbraw/zinc/37/04/31/407370431.db2.gz XVRXPYLRJFYAPD-ZDUSSCGKSA-N 1 0 300.424 1.918 10 0 DDAERO Cc1cccc(C)c1CCNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000125313244 407385073 /nfs/dbraw/zinc/38/50/73/407385073.db2.gz KRXGOWCWWLVXES-INIZCTEOSA-N 1 0 319.449 1.818 10 0 DDAERO CC[C@H]1CN(C(=O)Nc2ccc(F)nc2)CC[N@@H+]1CCOC ZINC000126443556 407413334 /nfs/dbraw/zinc/41/33/34/407413334.db2.gz JOKZGKJJONGZEK-ZDUSSCGKSA-N 1 0 310.373 1.795 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)C1 ZINC000112196719 407422745 /nfs/dbraw/zinc/42/27/45/407422745.db2.gz OBMJICUIFLESNN-IAQYHMDHSA-N 1 0 323.343 1.620 10 0 DDAERO CCc1ccc2c(C[NH2+]C[C@H]3CN(C)CCO3)cc(=O)oc2c1 ZINC000112548370 407432113 /nfs/dbraw/zinc/43/21/13/407432113.db2.gz KEONTWVMTVFCGX-HNNXBMFYSA-N 1 0 316.401 1.776 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000113229122 407477673 /nfs/dbraw/zinc/47/76/73/407477673.db2.gz DETKDYMOJUIUSK-XPKDYRNWSA-N 1 0 314.385 1.463 10 0 DDAERO O=C(c1ccc(N2CCCC2)nc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000170728072 407482480 /nfs/dbraw/zinc/48/24/80/407482480.db2.gz XKAKXWZGNSBGON-OAHLLOKOSA-N 1 0 300.406 1.602 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(C(N)=O)c1 ZINC000113592452 407519840 /nfs/dbraw/zinc/51/98/40/407519840.db2.gz HIKZIZSERVYEHU-IUODEOHRSA-N 1 0 316.405 1.164 10 0 DDAERO CC(=O)Nc1ccc(NC(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000178635540 407520724 /nfs/dbraw/zinc/52/07/24/407520724.db2.gz PHIFVDCKFUWROT-MRXNPFEDSA-N 1 0 316.405 1.364 10 0 DDAERO C[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)N1CCc2ccccc21 ZINC000170831099 407522508 /nfs/dbraw/zinc/52/25/08/407522508.db2.gz RVUINDVGYHSAHR-GOEBONIOSA-N 1 0 316.449 1.783 10 0 DDAERO CCC[C@@H](C(=O)NCCCc1nnc2n1CCCCC2)[NH+](C)C ZINC000178661076 407533107 /nfs/dbraw/zinc/53/31/07/407533107.db2.gz OVLADFCJMLLMRE-AWEZNQCLSA-N 1 0 321.469 1.784 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(Br)ccc2O)C1 ZINC000170859476 407533754 /nfs/dbraw/zinc/53/37/54/407533754.db2.gz OGQNGBNBURWWEB-JTQLQIEISA-N 1 0 313.195 1.931 10 0 DDAERO C[C@@H](CNC(=O)C1([NH3+])CCOCC1)Oc1cccc(Cl)c1 ZINC000261794572 407618671 /nfs/dbraw/zinc/61/86/71/407618671.db2.gz IJPXNTYTDNROSY-NSHDSACASA-N 1 0 312.797 1.731 10 0 DDAERO CCN(CC)C(=O)CN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000261842859 407637121 /nfs/dbraw/zinc/63/71/21/407637121.db2.gz WVYCSDRIBXWGNS-QGZVFWFLSA-N 1 0 318.465 1.894 10 0 DDAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCC(Cn3cccn3)CC2)C1 ZINC000130014878 407642585 /nfs/dbraw/zinc/64/25/85/407642585.db2.gz QNXLKMNTTLKFTH-JKSUJKDBSA-N 1 0 319.453 1.787 10 0 DDAERO O[C@H](COCc1ccccc1)C[NH+]1CCC(C2OCCO2)CC1 ZINC000171297136 407653404 /nfs/dbraw/zinc/65/34/04/407653404.db2.gz WDPGSLQZHGUFNW-KRWDZBQOSA-N 1 0 321.417 1.649 10 0 DDAERO NC(=O)c1ccc(OCCc2nc(C3([NH3+])CCC3)no2)cc1 ZINC000261882115 407654577 /nfs/dbraw/zinc/65/45/77/407654577.db2.gz WMFKXRBEURCAMF-UHFFFAOYSA-N 1 0 302.334 1.128 10 0 DDAERO Cc1noc([C@H](C)N2CCN(Cc3cccc(N)c3)CC2)n1 ZINC000261723928 407593795 /nfs/dbraw/zinc/59/37/95/407593795.db2.gz RJBRREWLYWRURT-LBPRGKRZSA-N 1 0 301.394 1.839 10 0 DDAERO CC(C)c1ccccc1OCCNC(=O)C1([NH3+])CCOCC1 ZINC000261928719 407676275 /nfs/dbraw/zinc/67/62/75/407676275.db2.gz WAENHFBOTBQFPW-UHFFFAOYSA-N 1 0 306.406 1.813 10 0 DDAERO CCc1noc([C@H](C)N2CCN(C[C@]3(C)CC[NH2+]C3)CC2)n1 ZINC000261936331 407679733 /nfs/dbraw/zinc/67/97/33/407679733.db2.gz DGCTZHZDIGMBDS-XJKSGUPXSA-N 1 0 307.442 1.310 10 0 DDAERO CCn1c(C)nnc1CN1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000171596105 407713710 /nfs/dbraw/zinc/71/37/10/407713710.db2.gz XRCAHRVJFGQJKE-UHFFFAOYSA-N 1 0 317.441 1.048 10 0 DDAERO Cc1ccc([C@@H](CNC(=O)C2([NH3+])CCOCC2)[NH+](C)C)cc1 ZINC000261903674 407663689 /nfs/dbraw/zinc/66/36/89/407663689.db2.gz RWOJALNWSWUWCX-OAHLLOKOSA-N 1 0 305.422 1.222 10 0 DDAERO C[C@H](C(=O)NCc1ccc(F)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171640796 407731048 /nfs/dbraw/zinc/73/10/48/407731048.db2.gz BHDCHHDTAFOWQH-CZUORRHYSA-N 1 0 305.397 1.610 10 0 DDAERO OC[C@H]1C[C@@H](O)C[N@@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC000179175894 407744687 /nfs/dbraw/zinc/74/46/87/407744687.db2.gz NQGCEWDGMRHRHZ-VXGBXAGGSA-N 1 0 306.189 1.800 10 0 DDAERO COC[C@H]([NH3+])C(=O)NCc1ccc(Br)c(F)c1 ZINC000262181632 407760463 /nfs/dbraw/zinc/76/04/63/407760463.db2.gz BOSABATYTAHBSV-JTQLQIEISA-N 1 0 305.147 1.178 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)CSC[C@H]2CCCCO2)CCO1 ZINC000116784949 407777140 /nfs/dbraw/zinc/77/71/40/407777140.db2.gz XWWCXHWFEWYXDD-KGLIPLIRSA-N 1 0 316.467 1.078 10 0 DDAERO CCOc1c(Cl)cc(CNC(=O)[C@@H]([NH3+])COC)cc1OC ZINC000262257341 407775082 /nfs/dbraw/zinc/77/50/82/407775082.db2.gz JECXONPBUYWZAR-NSHDSACASA-N 1 0 316.785 1.337 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccccc2OC(F)F)CCO1 ZINC000116784118 407775390 /nfs/dbraw/zinc/77/53/90/407775390.db2.gz UXQSJXBCYHNQJM-LLVKDONJSA-N 1 0 314.332 1.691 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)c2sccc2-n2cccc2)CCO1 ZINC000116797572 407780075 /nfs/dbraw/zinc/78/00/75/407780075.db2.gz FYYFHGSBGMOSTN-ZDUSSCGKSA-N 1 0 319.430 1.941 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000262279540 407781554 /nfs/dbraw/zinc/78/15/54/407781554.db2.gz LOYWYHZZFPJCSB-DVOMOZLQSA-N 1 0 321.421 1.208 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)Cc2c[nH]c3cc(F)ccc23)CCO1 ZINC000116787454 407777487 /nfs/dbraw/zinc/77/74/87/407777487.db2.gz QABUGCARHPHTHL-AWEZNQCLSA-N 1 0 319.380 1.639 10 0 DDAERO COC[C@H]([NH3+])C(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000262263394 407779804 /nfs/dbraw/zinc/77/98/04/407779804.db2.gz JPODMFDLJDJNQA-GJZGRUSLSA-N 1 0 310.369 1.307 10 0 DDAERO COc1ccccc1/C(C)=C/C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116796909 407779996 /nfs/dbraw/zinc/77/99/96/407779996.db2.gz XOWZTWRDHUDQSQ-ATGUSINASA-N 1 0 318.417 1.888 10 0 DDAERO CC(C)CCOC1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000171883284 407789875 /nfs/dbraw/zinc/78/98/75/407789875.db2.gz NQQOTHPQQPNTTE-HNNXBMFYSA-N 1 0 312.454 1.497 10 0 DDAERO [NH3+]C1(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CCOCC1 ZINC000262317416 407796333 /nfs/dbraw/zinc/79/63/33/407796333.db2.gz QLBBITJREGKKSM-UHFFFAOYSA-N 1 0 323.824 1.497 10 0 DDAERO CC(C)(CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccncc1 ZINC000179539847 407804509 /nfs/dbraw/zinc/80/45/09/407804509.db2.gz CPBLFUQENOAMHD-OAHLLOKOSA-N 1 0 302.422 1.849 10 0 DDAERO CSC[C@H](CCO)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000132973986 407813446 /nfs/dbraw/zinc/81/34/46/407813446.db2.gz AZKJKWVUBJFPME-LSDHHAIUSA-N 1 0 310.463 1.390 10 0 DDAERO COC[C@H]([NH3+])C(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000262376352 407816026 /nfs/dbraw/zinc/81/60/26/407816026.db2.gz XGISTVHRAHURKQ-CABZTGNLSA-N 1 0 304.312 1.726 10 0 DDAERO C[C@H]1CN([C@H](CNC2=[NH+]CCCN2)c2cccs2)CCO1 ZINC000262420521 407831167 /nfs/dbraw/zinc/83/11/67/407831167.db2.gz AXVYEPUJZYKVMT-QWHCGFSZSA-N 1 0 308.451 1.449 10 0 DDAERO CN(Cc1cc(=O)n2cc(Cl)ccc2n1)[C@H]1CCC[NH2+]CC1 ZINC000262449791 407836309 /nfs/dbraw/zinc/83/63/09/407836309.db2.gz HQOIZJMSDZZEMN-AWEZNQCLSA-N 1 0 320.824 1.922 10 0 DDAERO CCC([NH3+])(CC)CNC(=O)C[C@H](NC(N)=O)c1cccs1 ZINC000262589981 407877581 /nfs/dbraw/zinc/87/75/81/407877581.db2.gz CNDUPGGBEDMMHM-JTQLQIEISA-N 1 0 312.439 1.481 10 0 DDAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2nc(CN3CCOCC3)cs2)C1 ZINC000238055115 407879165 /nfs/dbraw/zinc/87/91/65/407879165.db2.gz XWBOYXCLYNXSOF-RYUDHWBXSA-N 1 0 324.450 1.431 10 0 DDAERO Cc1cnn(CCNC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000118059656 407881037 /nfs/dbraw/zinc/88/10/37/407881037.db2.gz ODBMELMZRGKIBS-GJZGRUSLSA-N 1 0 321.469 1.859 10 0 DDAERO NC(=O)c1ccc(N2CCCC2)c(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000262615438 407881456 /nfs/dbraw/zinc/88/14/56/407881456.db2.gz KUMSGWFFUUEHBQ-QWHCGFSZSA-N 1 0 316.405 1.452 10 0 DDAERO CCOCCN1CC[N@H+](CCCN2CCOCC2)C[C@@H]1CC ZINC000173680792 407893224 /nfs/dbraw/zinc/89/32/24/407893224.db2.gz JOJGKVVYSNAPGF-KRWDZBQOSA-N 1 0 313.486 1.141 10 0 DDAERO CCc1cc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccc1C ZINC000180615661 407905352 /nfs/dbraw/zinc/90/53/52/407905352.db2.gz FEUQFQXFJCEALE-MRXNPFEDSA-N 1 0 315.417 1.803 10 0 DDAERO CC[C@@H]1CN(C(=O)CCCCSC)CC[N@@H+]1C[C@@H](C)O ZINC000174611075 407970885 /nfs/dbraw/zinc/97/08/85/407970885.db2.gz WNCXZVIUUZFWCL-ZIAGYGMSSA-N 1 0 302.484 1.823 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCc1c[nH]nc1C ZINC000174610619 407971229 /nfs/dbraw/zinc/97/12/29/407971229.db2.gz HKAMMPXRNZBAPL-JKSUJKDBSA-N 1 0 319.453 1.919 10 0 DDAERO CCCCc1noc([C@H](C)N2CC[NH+](C[C@H](O)CC)CC2)n1 ZINC000174083740 407914840 /nfs/dbraw/zinc/91/48/40/407914840.db2.gz LKVBFOQOYSOKQR-UONOGXRCSA-N 1 0 310.442 1.862 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1csc(CC(=O)NC)n1 ZINC000180830253 407925160 /nfs/dbraw/zinc/92/51/60/407925160.db2.gz ISJRDGPGRGNYKM-ZIAGYGMSSA-N 1 0 322.478 1.490 10 0 DDAERO C[NH+](C)C1(CNC(=O)[C@@H]2CC(F)(F)CN2)CCCCCC1 ZINC000263095906 408024687 /nfs/dbraw/zinc/02/46/87/408024687.db2.gz YWHDQROTXYXLBW-LBPRGKRZSA-N 1 0 303.397 1.754 10 0 DDAERO C[C@@H](Oc1ccc(F)cc1)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263130901 408031358 /nfs/dbraw/zinc/03/13/58/408031358.db2.gz BPXPUGBZNDBDJD-ZWNOBZJWSA-N 1 0 306.341 1.925 10 0 DDAERO Cc1cccc(OCCc2nc([C@H]3C[NH2+]CCN3C)no2)c1 ZINC000263132122 408034041 /nfs/dbraw/zinc/03/40/41/408034041.db2.gz BTZFMJUYTMHRPT-CQSZACIVSA-N 1 0 302.378 1.576 10 0 DDAERO COc1ccccc1OCCc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263157147 408040717 /nfs/dbraw/zinc/04/07/17/408040717.db2.gz DOKVYQRNLRWBMZ-LBPRGKRZSA-N 1 0 318.377 1.276 10 0 DDAERO COc1ccccc1OCCc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263157146 408040810 /nfs/dbraw/zinc/04/08/10/408040810.db2.gz DOKVYQRNLRWBMZ-GFCCVEGCSA-N 1 0 318.377 1.276 10 0 DDAERO CCCC(=O)N1CCC[C@H](c2nc([C@H]3C[NH2+]CCN3C)no2)C1 ZINC000263167259 408044468 /nfs/dbraw/zinc/04/44/68/408044468.db2.gz FJLTYRYPSUEMMT-QWHCGFSZSA-N 1 0 321.425 1.152 10 0 DDAERO CN1CC[NH2+]C[C@H]1c1noc(Cc2ccc(OC(F)F)cc2)n1 ZINC000263171233 408046280 /nfs/dbraw/zinc/04/62/80/408046280.db2.gz FRZOCYKIUUGSEJ-LBPRGKRZSA-N 1 0 324.331 1.838 10 0 DDAERO C[C@H](O)C[NH+]1CCN(CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000189321592 408007096 /nfs/dbraw/zinc/00/70/96/408007096.db2.gz WWDHNDQDMZWASW-HNNXBMFYSA-N 1 0 309.429 1.256 10 0 DDAERO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@H]1CC(F)(F)CN1 ZINC000263044435 408009638 /nfs/dbraw/zinc/00/96/38/408009638.db2.gz TWRFWXNEUDSOAO-CYBMUJFWSA-N 1 0 303.397 1.707 10 0 DDAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000263073782 408017893 /nfs/dbraw/zinc/01/78/93/408017893.db2.gz WVTAUOMJMIFFND-XUJVJEKNSA-N 1 0 309.435 1.951 10 0 DDAERO CC(=O)N[C@H](c1nc([C@@H]2C[NH2+]CCN2C)no1)C1CCCC1 ZINC000263199751 408057133 /nfs/dbraw/zinc/05/71/33/408057133.db2.gz IVOKLTGLSPISGV-STQMWFEESA-N 1 0 307.398 1.013 10 0 DDAERO CCCn1nc(C)c(CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1C ZINC000245750074 408060363 /nfs/dbraw/zinc/06/03/63/408060363.db2.gz NRKNKHNCNGGQRW-KBPBESRZSA-N 1 0 308.470 1.797 10 0 DDAERO CC[C@@H]1CN(C(=O)NCCC2=CCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000182043291 408068165 /nfs/dbraw/zinc/06/81/65/408068165.db2.gz QJNQXYSMLRTLHF-GDBMZVCRSA-N 1 0 309.454 1.973 10 0 DDAERO CCOCC[N@@H+]1CCN([C@@H]2CCN(C(C)C)C2=O)C[C@@H]1CC ZINC000175190618 408074060 /nfs/dbraw/zinc/07/40/60/408074060.db2.gz GCKCRWLQJSMZJE-JKSUJKDBSA-N 1 0 311.470 1.428 10 0 DDAERO CC[C@@H]1CN(C(=O)/C=C/c2cccc(O)c2)CC[N@@H+]1C[C@@H](C)O ZINC000154718876 408075114 /nfs/dbraw/zinc/07/51/14/408075114.db2.gz ACZSUQUSABMVFF-XIHNBGGYSA-N 1 0 318.417 1.709 10 0 DDAERO Cc1nn(-c2ccc(Cl)cc2)cc1CNC[C@H]1C[NH2+]C[C@H]1O ZINC000263253713 408076185 /nfs/dbraw/zinc/07/61/85/408076185.db2.gz QGTCZFAJAKJGRL-BLLLJJGKSA-N 1 0 320.824 1.504 10 0 DDAERO Cc1nn(C)c(C)c1C[C@@H](C)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263274178 408085192 /nfs/dbraw/zinc/08/51/92/408085192.db2.gz SOKQUKIKESNGAO-YGRLFVJLSA-N 1 0 318.425 1.342 10 0 DDAERO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175273459 408092850 /nfs/dbraw/zinc/09/28/50/408092850.db2.gz AOIWSENTPYBJSQ-RRFJBIMHSA-N 1 0 317.433 1.840 10 0 DDAERO CC(C)Nc1ncccc1-c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263304237 408099769 /nfs/dbraw/zinc/09/97/69/408099769.db2.gz XOJIORUNXQVWDF-GFCCVEGCSA-N 1 0 302.382 1.528 10 0 DDAERO Cc1c([C@H](C)NC(=O)C2C[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000263342017 408112729 /nfs/dbraw/zinc/11/27/29/408112729.db2.gz XXTGGDRTFKPQQL-JTQLQIEISA-N 1 0 302.353 1.716 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(NC(=O)OC(C)(C)C)CC1 ZINC000245977816 408112978 /nfs/dbraw/zinc/11/29/78/408112978.db2.gz CHYTYWBAQWHIJT-OLZOCXBDSA-N 1 0 323.437 1.739 10 0 DDAERO CC[C@H]1CN(C(=O)C2(CCOC)CCC2)CC[N@@H+]1C[C@H](C)O ZINC000245986974 408113282 /nfs/dbraw/zinc/11/32/82/408113282.db2.gz FLYIOPHRUHJSDL-GJZGRUSLSA-N 1 0 312.454 1.497 10 0 DDAERO CCNC(=O)C(C)(C)CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000155036573 408117751 /nfs/dbraw/zinc/11/77/51/408117751.db2.gz NXPINXQYQVJCBG-HNNXBMFYSA-N 1 0 319.449 1.438 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000120210341 408120394 /nfs/dbraw/zinc/12/03/94/408120394.db2.gz YYOANMSSHQRFJL-LSDHHAIUSA-N 1 0 323.481 1.870 10 0 DDAERO COCC[N@@H+]1CCN(Cc2cnc3c(C)cccn23)C[C@@H]1C ZINC000245726309 408054488 /nfs/dbraw/zinc/05/44/88/408054488.db2.gz IUWGGQRPKISXSR-HNNXBMFYSA-N 1 0 302.422 1.795 10 0 DDAERO CNC(=O)[C@H]([NH2+]CCOc1ccccc1C(=O)OC)C(C)C ZINC000182436608 408158277 /nfs/dbraw/zinc/15/82/77/408158277.db2.gz IQUAEARLPKGQQI-CQSZACIVSA-N 1 0 308.378 1.212 10 0 DDAERO Cc1ccc(F)cc1NC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000190091328 408162204 /nfs/dbraw/zinc/16/22/04/408162204.db2.gz ILMGYOQAIISDQD-JSGCOSHPSA-N 1 0 319.380 1.768 10 0 DDAERO C[C@](O)(C[N@@H+]1CCCN(C(=O)C2CC2)CC1)c1ccccc1 ZINC000121245639 408170528 /nfs/dbraw/zinc/17/05/28/408170528.db2.gz IKRLVSGBWLNZLJ-SFHVURJKSA-N 1 0 302.418 1.838 10 0 DDAERO Cc1cnn(CCNC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000121267889 408175091 /nfs/dbraw/zinc/17/50/91/408175091.db2.gz UNGINDAHYUBFIK-HNNXBMFYSA-N 1 0 307.442 1.469 10 0 DDAERO Cc1nccn1C[C@@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC000122093533 408249576 /nfs/dbraw/zinc/24/95/76/408249576.db2.gz QDVQUQTZFHJISY-INIZCTEOSA-N 1 0 304.438 1.914 10 0 DDAERO CCc1nnc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1C ZINC000246453548 408258887 /nfs/dbraw/zinc/25/88/87/408258887.db2.gz FBJRWTLSBMXSFQ-DZGCQCFKSA-N 1 0 303.454 1.826 10 0 DDAERO Cc1cccc2nc(C[N@H+]3C[C@@H](C)[C@@H](N4CCOCC4)C3)cn21 ZINC000246444111 408261179 /nfs/dbraw/zinc/26/11/79/408261179.db2.gz MHUMMLWEBCAIFG-PBHICJAKSA-N 1 0 314.433 1.795 10 0 DDAERO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2)C[C@H]1N1CCOCC1 ZINC000246443982 408261286 /nfs/dbraw/zinc/26/12/86/408261286.db2.gz MHAULGQYJGANGC-JFIYKMOQSA-N 1 0 320.433 1.079 10 0 DDAERO CC[C@H]1CN(Cc2noc3c2CCCC3)CC[N@@H+]1C[C@H](C)O ZINC000246292981 408209253 /nfs/dbraw/zinc/20/92/53/408209253.db2.gz VLIGZZAMDJVAEU-KBPBESRZSA-N 1 0 307.438 1.830 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@H](CO)Cc2ccccc2)C1 ZINC000246292218 408209606 /nfs/dbraw/zinc/20/96/06/408209606.db2.gz CLXMVZMREHLLOJ-HYVNUMGLSA-N 1 0 319.449 1.618 10 0 DDAERO C[NH+](C)C[C@H](NC(=O)c1cc(C(N)=O)c[nH]1)c1ccccc1 ZINC000175804558 408210551 /nfs/dbraw/zinc/21/05/51/408210551.db2.gz WIQBTRJNIQLMTA-AWEZNQCLSA-N 1 0 300.362 1.146 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(F)nc1 ZINC000190356989 408228175 /nfs/dbraw/zinc/22/81/75/408228175.db2.gz YXWDWQKTYVZTPL-QWHCGFSZSA-N 1 0 320.368 1.244 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H](c2ccco2)N(C)C)C1 ZINC000246750595 408332894 /nfs/dbraw/zinc/33/28/94/408332894.db2.gz BIRROFIHMCJUPO-RBSFLKMASA-N 1 0 322.453 1.910 10 0 DDAERO C[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)CC1(C)OCCO1 ZINC000246744474 408329454 /nfs/dbraw/zinc/32/94/54/408329454.db2.gz VDICSUDNXHWPPS-KBPBESRZSA-N 1 0 311.426 1.265 10 0 DDAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C[C@H]2CCCCO2)CC1 ZINC000151154428 408267038 /nfs/dbraw/zinc/26/70/38/408267038.db2.gz KZDPXKLNNPWUFF-GDBMZVCRSA-N 1 0 312.454 1.497 10 0 DDAERO COc1c(C)cnc(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1C ZINC000246527153 408282498 /nfs/dbraw/zinc/28/24/98/408282498.db2.gz RTCYJESURBQGSN-YOEHRIQHSA-N 1 0 319.449 1.860 10 0 DDAERO Cc1cc(I)cnc1NC(=O)[C@@H](C)[NH3+] ZINC000157376661 408301077 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O=C(Cc1ccc(Br)cc1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090321442 185290928 /nfs/dbraw/zinc/29/09/28/185290928.db2.gz BQFHYBLHGJAMRE-VXGBXAGGSA-N 1 0 309.207 1.669 10 0 DDAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1ccc(C)c(C)c1 ZINC000090331911 185291529 /nfs/dbraw/zinc/29/15/29/185291529.db2.gz NBOVYXWFYIDMBB-VNQPRFMTSA-N 1 0 308.447 1.922 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1S(=O)(=O)c1ccc(F)cc1F ZINC000090336937 185291756 /nfs/dbraw/zinc/29/17/56/185291756.db2.gz ZKFRTDNKMGBAQG-GXSJLCMTSA-N 1 0 316.373 1.583 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)Cc1ccc(F)cc1 ZINC000090337048 185291895 /nfs/dbraw/zinc/29/18/95/185291895.db2.gz TVXMNUKCZGRVSQ-OCCSQVGLSA-N 1 0 312.410 1.585 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000090336931 185291906 /nfs/dbraw/zinc/29/19/06/185291906.db2.gz SIXAQUHRJWOMGA-ZWNOBZJWSA-N 1 0 314.838 1.959 10 0 DDAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000090489046 185298843 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CC[C@@H]1CN(C(=O)/C=C\c2cnc(C)s2)CC[N@@H+]1C[C@@H](C)O ZINC000255263021 282242257 /nfs/dbraw/zinc/24/22/57/282242257.db2.gz LJTSMGDHVVSTBU-BYVUIAOWSA-N 1 0 323.462 1.768 10 0 DDAERO C[NH2+][C@@H]1c2cc(OC)ccc2C[C@H]1S(=O)(=O)CCCOC ZINC000092911530 185348462 /nfs/dbraw/zinc/34/84/62/185348462.db2.gz MJPDQFLFSRQVCU-HUUCEWRRSA-N 1 0 313.419 1.332 10 0 DDAERO CN(C)c1cc[nH+]cc1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000183956495 282307417 /nfs/dbraw/zinc/30/74/17/282307417.db2.gz WQGAMRQGXIKMNY-CXAGYDPISA-N 1 0 303.406 1.915 10 0 DDAERO [NH3+][C@@H](c1cc2[nH]c(=O)[nH]c2cc1Br)[C@H]1CCOC1 ZINC000052094253 190683277 /nfs/dbraw/zinc/68/32/77/190683277.db2.gz PJHPOOUVDXKYAB-UPONEAKYSA-N 1 0 312.167 1.655 10 0 DDAERO CO[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2F)[C@@H](C[NH3+])C1 ZINC000226417293 201779090 /nfs/dbraw/zinc/77/90/90/201779090.db2.gz KLEMDKARGKECMM-NXEZZACHSA-N 1 0 320.361 1.092 10 0 DDAERO C[C@@H]([NH3+])Cc1c(Sc2nnnn2C2CC2)nc2sccn12 ZINC000111582018 185614902 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ZINC000091520438 193067850 /nfs/dbraw/zinc/06/78/50/193067850.db2.gz GYKYPMKQEGLZCT-SNVBAGLBSA-N 1 0 318.196 1.813 10 0 DDAERO NS(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000091545825 193071450 /nfs/dbraw/zinc/07/14/50/193071450.db2.gz VZZBLKBTYRASGQ-SFYZADRCSA-N 1 0 317.798 1.053 10 0 DDAERO CCc1nn(CC)c(CN2C[C@@H]3C[NH2+]CCN3C2=O)c1Cl ZINC000091750792 193101566 /nfs/dbraw/zinc/10/15/66/193101566.db2.gz YHOJPZIKTSXEAN-JTQLQIEISA-N 1 0 311.817 1.328 10 0 DDAERO COC(=O)[C@H](C[C@H]1CCC[NH2+]C1)NC(=O)OCc1ccccc1 ZINC000091691664 193093017 /nfs/dbraw/zinc/09/30/17/193093017.db2.gz XEPWCDQXMOQADY-CABCVRRESA-N 1 0 320.389 1.844 10 0 DDAERO CCc1nn(C)c(C[C@H]([NH3+])[C@@H]2CN3CCC[C@@H]3CO2)c1Cl ZINC000091720349 193097105 /nfs/dbraw/zinc/09/71/05/193097105.db2.gz HSPXHFDIGPOOIY-SUNKGSAMSA-N 1 0 312.845 1.369 10 0 DDAERO COc1c(C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)c(C)nn1C ZINC000091832926 193114525 /nfs/dbraw/zinc/11/45/25/193114525.db2.gz JPWFLIPEMSGZIF-LBPRGKRZSA-N 1 0 305.382 1.808 10 0 DDAERO CC[NH2+]Cc1nc(C)ccc1OCCCS(=O)(=O)CC ZINC000091994886 193138035 /nfs/dbraw/zinc/13/80/35/193138035.db2.gz AKDZFOJSHBCWDF-UHFFFAOYSA-N 1 0 300.424 1.703 10 0 DDAERO C[C@H]1CN(S(=O)(=O)c2cc(C[NH2+]C3CC3)n(C)c2)C[C@H]1C ZINC000092113901 193161132 /nfs/dbraw/zinc/16/11/32/193161132.db2.gz LZWRNUABXUTXQY-TXEJJXNPSA-N 1 0 311.451 1.554 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)NCc2cscn2)c(F)c1 ZINC000092116192 193164323 /nfs/dbraw/zinc/16/43/23/193164323.db2.gz VGYOMXHEZGARCZ-UHFFFAOYSA-N 1 0 301.368 1.219 10 0 DDAERO CC[C@@H]([NH2+]C)c1cccc(S(=O)(=O)N(C)CC(C)(C)O)c1 ZINC000092984449 193191693 /nfs/dbraw/zinc/19/16/93/193191693.db2.gz HNFGOTJMUYLAMR-CQSZACIVSA-N 1 0 314.451 1.749 10 0 DDAERO Cc1ccccc1[C@H](C)NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261932174 203155601 /nfs/dbraw/zinc/15/56/01/203155601.db2.gz LTGQQAOFAZBQGF-XKQJLSEDSA-N 1 0 312.417 1.909 10 0 DDAERO Cc1ncc(C(=O)Nc2nc(C3CC[NH2+]CC3)nn2C)s1 ZINC000262362861 203274453 /nfs/dbraw/zinc/27/44/53/203274453.db2.gz KPPJBMQWGJAIDN-UHFFFAOYSA-N 1 0 306.395 1.299 10 0 DDAERO O=C([C@@H]1C[C@H](O)C[NH2+]1)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000262561318 203330430 /nfs/dbraw/zinc/33/04/30/203330430.db2.gz WKKBCDCAKIMXSJ-HOTGVXAUSA-N 1 0 322.836 1.844 10 0 DDAERO Nc1ccc(Cl)cc1SC[C@H](O)CN1CC[NH2+]CC1 ZINC000093428052 193249673 /nfs/dbraw/zinc/24/96/73/193249673.db2.gz ZWJHFIOVNMBQDN-LLVKDONJSA-N 1 0 301.843 1.280 10 0 DDAERO C[C@H](C[C@H]1CCC[NH2+]1)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000093463418 193254997 /nfs/dbraw/zinc/25/49/97/193254997.db2.gz XYTXGQWPNHJWCX-TZMCWYRMSA-N 1 0 311.451 1.879 10 0 DDAERO CCN[C@]1(C(=O)OC)CCC[C@@H]1CC[N@H+](C)CCCOC ZINC000093593567 193270724 /nfs/dbraw/zinc/27/07/24/193270724.db2.gz XPUREGUUSVMGGM-GDBMZVCRSA-N 1 0 300.443 1.666 10 0 DDAERO CC[C@H](NC(=O)C[NH2+]C)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000262726460 203394309 /nfs/dbraw/zinc/39/43/09/203394309.db2.gz ASMKDKBCPAVBCB-HOCLYGCPSA-N 1 0 301.394 1.290 10 0 DDAERO Cn1ccnc1SCC[C@H]1CCC[C@@]1([NH2+]C1CC1)C(N)=O ZINC000093628643 193275932 /nfs/dbraw/zinc/27/59/32/193275932.db2.gz MFXIWYIAAMVGLO-ABAIWWIYSA-N 1 0 308.451 1.679 10 0 DDAERO C[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCSc1nc(C)cc(C)n1 ZINC000093630310 193277514 /nfs/dbraw/zinc/27/75/14/193277514.db2.gz BLEXPCUDRCTHOH-WFASDCNBSA-N 1 0 308.451 1.819 10 0 DDAERO C[NH2+]Cc1ccc(OC[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000093695929 193290605 /nfs/dbraw/zinc/29/06/05/193290605.db2.gz YMTTVCWOWSAGJK-CQSZACIVSA-N 1 0 312.435 1.456 10 0 DDAERO CC(C)C[C@H](CN(C)C)[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696642 193291759 /nfs/dbraw/zinc/29/17/59/193291759.db2.gz NFQKHLHGRXPYIW-HUUCEWRRSA-N 1 0 319.515 1.224 10 0 DDAERO C[NH2+][C@@H]1CCC[C@@H](N2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC000093730840 193298509 /nfs/dbraw/zinc/29/85/09/193298509.db2.gz OGNAKTLYOOEQQX-NXEZZACHSA-N 1 0 303.332 1.643 10 0 DDAERO C[NH2+][C@]1(CO)CCC[C@@H](Sc2nnc(N(C)C)s2)C1 ZINC000093786003 193307663 /nfs/dbraw/zinc/30/76/63/193307663.db2.gz HSNFQYQRJGHXGV-BXKDBHETSA-N 1 0 302.469 1.589 10 0 DDAERO CC[NH2+][C@@H](C)[C@H]1CCCN(S(=O)(=O)CCOC(C)C)C1 ZINC000093664602 193285728 /nfs/dbraw/zinc/28/57/28/193285728.db2.gz LUCWPTVUMDZHBO-KBPBESRZSA-N 1 0 306.472 1.451 10 0 DDAERO Cc1ccc(N(CCC[NH3+])S(=O)(=O)CCOC(C)C)cc1 ZINC000093664680 193286158 /nfs/dbraw/zinc/28/61/58/193286158.db2.gz HXLBSMYCZANBDJ-UHFFFAOYSA-N 1 0 314.451 1.905 10 0 DDAERO CN(CC1CC[NH2+]CC1)C(=O)c1ccc(Br)cn1 ZINC000094021980 193339032 /nfs/dbraw/zinc/33/90/32/193339032.db2.gz HVQZKWHZDFLJPR-UHFFFAOYSA-N 1 0 312.211 1.916 10 0 DDAERO CCc1nn(C)c(C[C@@H]([NH3+])[C@@H]2CN(CC)CCO2)c1Cl ZINC000093913758 193327549 /nfs/dbraw/zinc/32/75/49/193327549.db2.gz INRSKHNWJLYGLJ-MFKMUULPSA-N 1 0 300.834 1.226 10 0 DDAERO CC[NH2+][C@@H](CCCS(=O)(=O)CC)[C@@H]1CN(C(C)C)CCO1 ZINC000093927784 193329256 /nfs/dbraw/zinc/32/92/56/193329256.db2.gz OAUNAIMJYVAUAV-GJZGRUSLSA-N 1 0 320.499 1.289 10 0 DDAERO C[NH2+][C@@H](Cc1nc2ccccc2s1)[C@H]1CN(C)CCN1C ZINC000094251581 193355027 /nfs/dbraw/zinc/35/50/27/193355027.db2.gz LCZIBFKFEVDYLK-UONOGXRCSA-N 1 0 304.463 1.673 10 0 DDAERO CN(CCS(C)(=O)=O)c1ccc(C(F)(F)F)cc1C[NH3+] ZINC000094297037 193356703 /nfs/dbraw/zinc/35/67/03/193356703.db2.gz ZTQWGODCAPNJOJ-UHFFFAOYSA-N 1 0 310.341 1.645 10 0 DDAERO CN(CCS(C)(=O)=O)[C@@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000094297859 193356815 /nfs/dbraw/zinc/35/68/15/193356815.db2.gz LPAFJCRIRVXIGE-LBPRGKRZSA-N 1 0 324.368 1.682 10 0 DDAERO CCC[NH2+][C@H]1c2ccccc2C[C@H]1N(C)CCS(C)(=O)=O ZINC000094298080 193357444 /nfs/dbraw/zinc/35/74/44/193357444.db2.gz CUJZHIVAJXDMNJ-CVEARBPZSA-N 1 0 310.463 1.628 10 0 DDAERO C[NH2+][C@H]1CCCc2sc(N(C)CCS(C)(=O)=O)nc21 ZINC000094301136 193359023 /nfs/dbraw/zinc/35/90/23/193359023.db2.gz DMCSYVAZTBMPEQ-VIFPVBQESA-N 1 0 303.453 1.221 10 0 DDAERO C[N@@H+]1CC[C@@H](CNc2nc(C(F)(F)F)ccc2C(N)=O)C1 ZINC000094335025 193360244 /nfs/dbraw/zinc/36/02/44/193360244.db2.gz ILXQMYBQWNGYKV-QMMMGPOBSA-N 1 0 302.300 1.563 10 0 DDAERO CN(CC[NH+](C)C)c1nc(C(F)(F)F)ccc1C(N)=S ZINC000094336203 193361214 /nfs/dbraw/zinc/36/12/14/193361214.db2.gz UFOZFQJXLBSAEM-UHFFFAOYSA-N 1 0 306.357 1.732 10 0 DDAERO C[C@H]1CN(C(=O)c2ccc(Br)cc2O)CC[C@@H]1[NH3+] ZINC000094340016 193362003 /nfs/dbraw/zinc/36/20/03/193362003.db2.gz ORZVVRXWIDCPKW-KWQFWETISA-N 1 0 313.195 1.964 10 0 DDAERO COCC[NH2+]Cc1cc(F)c(OC[C@H](C)C(N)=O)c(F)c1 ZINC000094348146 193363110 /nfs/dbraw/zinc/36/31/10/193363110.db2.gz LDADBIOZNNGLLD-VIFPVBQESA-N 1 0 302.321 1.201 10 0 DDAERO CCC[NH2+]C1CCN([C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094633980 193385610 /nfs/dbraw/zinc/38/56/10/193385610.db2.gz AHDTVTAFEZKPOH-CABCVRRESA-N 1 0 302.484 1.806 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN([C@H]2CCOC3(CCC3)C2)CC1 ZINC000094376079 193367221 /nfs/dbraw/zinc/36/72/21/193367221.db2.gz KEALHPFJRHRDHR-UONOGXRCSA-N 1 0 311.495 1.770 10 0 DDAERO C[NH2+][C@H](CCC(F)(F)F)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000094492962 193374068 /nfs/dbraw/zinc/37/40/68/193374068.db2.gz HGXDXFREGTYCRH-GHMZBOCLSA-N 1 0 316.389 1.979 10 0 DDAERO [NH3+][C@H](Cc1cc(Cl)ccc1Cl)[C@H]1CN2CCN1CC2 ZINC000094508323 193375462 /nfs/dbraw/zinc/37/54/62/193375462.db2.gz JMTRVDFPICHMEK-ZIAGYGMSSA-N 1 0 300.233 1.863 10 0 DDAERO COc1cc(Cl)ccc1S(=O)(=O)N1C[C@H]([NH3+])C[C@H](C)C1 ZINC000094550334 193378797 /nfs/dbraw/zinc/37/87/97/193378797.db2.gz JMHWZKWTJOWUTH-GXSJLCMTSA-N 1 0 318.826 1.706 10 0 DDAERO C[C@@H]1C[C@@H]([NH3+])CN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000094550299 193378914 /nfs/dbraw/zinc/37/89/14/193378914.db2.gz YMPBYGVDMXATLX-RKDXNWHRSA-N 1 0 312.420 1.049 10 0 DDAERO CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@H]([NH3+])C2)cc1 ZINC000094550247 193378935 /nfs/dbraw/zinc/37/89/35/193378935.db2.gz SWYKFRGJXIWLNI-PWSUYJOCSA-N 1 0 311.407 1.003 10 0 DDAERO [NH3+]C[C@H]1CC[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)O1 ZINC000094563117 193379909 /nfs/dbraw/zinc/37/99/09/193379909.db2.gz OBCQNMCZIZWQCP-VXGBXAGGSA-N 1 0 302.296 1.828 10 0 DDAERO CN(c1nc2ccc(Br)cn2n1)[C@@H]1CCC[NH2+]C1 ZINC000094608198 193384539 /nfs/dbraw/zinc/38/45/39/193384539.db2.gz REZFXINKUNBLPO-SNVBAGLBSA-N 1 0 310.199 1.680 10 0 DDAERO C[C@H]1C[C@H]([NH3+])CN(c2nc3ccc(Br)cn3n2)C1 ZINC000094609319 193384569 /nfs/dbraw/zinc/38/45/69/193384569.db2.gz JXQVCOUPJDWLNS-WPRPVWTQSA-N 1 0 310.199 1.665 10 0 DDAERO C[NH2+]CC1CCN(c2nc3c(Br)cccn3n2)CC1 ZINC000094607911 193384603 /nfs/dbraw/zinc/38/46/03/193384603.db2.gz QOWATYLXJLSTGM-UHFFFAOYSA-N 1 0 324.226 1.928 10 0 DDAERO CC[NH+](CC)CCNS(=O)(=O)c1cc(N)c(F)cc1C ZINC000094779003 193396392 /nfs/dbraw/zinc/39/63/92/193396392.db2.gz QOWSPPIJRCBNBF-UHFFFAOYSA-N 1 0 303.403 1.336 10 0 DDAERO C[NH+](C)C[C@H]1C[C@@H](O)CN1C(=O)c1cc(F)c(F)c(F)c1 ZINC000097246480 193698397 /nfs/dbraw/zinc/69/83/97/193698397.db2.gz AAXDXXDOALXODV-NXEZZACHSA-N 1 0 302.296 1.241 10 0 DDAERO O[C@@H]1[C@@H](N2CCCCC2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]CC1CCCCC1 ZINC000020463874 182221009 /nfs/dbraw/zinc/22/10/09/182221009.db2.gz BMKCSQQIINWKNW-HSFUPAIVSA-N 1 0 324.465 1.495 10 0 DDAERO C[C@@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1ccc(-n2ccnc2)cc1 ZINC000021042276 182263051 /nfs/dbraw/zinc/26/30/51/182263051.db2.gz ZMTMHKVOXBAKTM-OCCSQVGLSA-N 1 0 305.403 1.710 10 0 DDAERO CCCOc1ccc([C@@H](C)[NH2+]CCNS(C)(=O)=O)cc1 ZINC000021792375 182289909 /nfs/dbraw/zinc/28/99/09/182289909.db2.gz LHFHANGJKIHKRQ-GFCCVEGCSA-N 1 0 300.424 1.675 10 0 DDAERO [NH3+]CCNC(=O)Nc1ccc2nccnc2c1Br ZINC000038599414 183003487 /nfs/dbraw/zinc/00/34/87/183003487.db2.gz DGWNPILVHZDPMZ-UHFFFAOYSA-N 1 0 310.155 1.473 10 0 in-vitro DDAERO CC(C)[C@H](CNS(=O)(=O)c1cccnc1Cl)[NH+](C)C ZINC000040431292 183065997 /nfs/dbraw/zinc/06/59/97/183065997.db2.gz SZPMYQCRCSNUNN-JTQLQIEISA-N 1 0 305.831 1.600 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(F)c(N)c2)C1 ZINC000040501823 183083330 /nfs/dbraw/zinc/08/33/30/183083330.db2.gz SMQOTAWSNXWYEN-SNVBAGLBSA-N 1 0 301.387 1.171 10 0 DDAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)C1 ZINC000040502742 183084162 /nfs/dbraw/zinc/08/41/62/183084162.db2.gz HOMWUPDMHFWWGK-GXTWGEPZSA-N 1 0 311.451 1.469 10 0 DDAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000040855724 183143171 /nfs/dbraw/zinc/14/31/71/183143171.db2.gz UGFUXBRXRNKUMP-SMDDNHRTSA-N 1 0 312.435 1.641 10 0 DDAERO C[C@@H](NS(=O)(=O)N1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000040861991 183144045 /nfs/dbraw/zinc/14/40/45/183144045.db2.gz VQKZEHSMJDHVFV-SNVBAGLBSA-N 1 0 303.815 1.141 10 0 DDAERO C[NH2+][C@H](C)c1cccc(S(=O)(=O)N[C@H]2CCCN(C)C2)c1 ZINC000040716247 183122432 /nfs/dbraw/zinc/12/24/32/183122432.db2.gz MYBAIZOGUXLQNP-OCCSQVGLSA-N 1 0 311.451 1.340 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H]2CCCN(C)C2)cc1 ZINC000040716282 183122838 /nfs/dbraw/zinc/12/28/38/183122838.db2.gz IYRRWAWXBCEXGA-CQSZACIVSA-N 1 0 311.451 1.169 10 0 DDAERO CCNS(=O)(=O)c1ccc(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000040746421 183128756 /nfs/dbraw/zinc/12/87/56/183128756.db2.gz VPSOYIRBRRWGCV-PBWFPOADSA-N 1 0 309.435 1.680 10 0 DDAERO COC(=O)c1ccc(Nc2nc[nH+]c(NN(C)C)c2N)cc1 ZINC000040759976 183130278 /nfs/dbraw/zinc/13/02/78/183130278.db2.gz QDXDUZNXCKQPSA-UHFFFAOYSA-N 1 0 302.338 1.478 10 0 DDAERO Nc1ccc(F)c(NC(=O)CSc2nc(N)cc(N)[nH+]2)c1 ZINC000041023426 183156765 /nfs/dbraw/zinc/15/67/65/183156765.db2.gz PNYGETWSOUTKSH-UHFFFAOYSA-N 1 0 308.342 1.093 10 0 DDAERO CC(C)[C@H](NS(=O)(=O)N1CC[NH2+]CC1)c1cccs1 ZINC000040860971 183144235 /nfs/dbraw/zinc/14/42/35/183144235.db2.gz JEHOGOJYDHQFJK-LBPRGKRZSA-N 1 0 303.453 1.185 10 0 DDAERO C[C@H]1CN(C(=O)NCc2ccccc2)C[C@H](C)N1CC[NH+](C)C ZINC000041313755 183185138 /nfs/dbraw/zinc/18/51/38/183185138.db2.gz DZYPBRPRRREUKN-HOTGVXAUSA-N 1 0 318.465 1.852 10 0 DDAERO C[NH+](C)CCCNC(=O)[C@@H]1CCC(=O)N1c1ccc(Cl)cc1 ZINC000041459688 183192373 /nfs/dbraw/zinc/19/23/73/183192373.db2.gz NLIZUZZVGLYPFS-AWEZNQCLSA-N 1 0 323.824 1.903 10 0 DDAERO CCC[N@H+](CCCC[C@@](C)([NH2+]CC)C(=O)[O-])CCN(C)C ZINC000041675101 183215534 /nfs/dbraw/zinc/21/55/34/183215534.db2.gz ZXXLIPXOGLSIMO-MRXNPFEDSA-N 1 0 301.475 1.883 10 0 DDAERO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccnc(Cl)c1 ZINC000041679094 183215909 /nfs/dbraw/zinc/21/59/09/183215909.db2.gz WUAILTVBDOAEPU-SNVBAGLBSA-N 1 0 305.831 1.744 10 0 DDAERO CN(CCC[NH2+]CC(=O)NCC(F)(F)F)c1ccccc1 ZINC000042313754 183253192 /nfs/dbraw/zinc/25/31/92/183253192.db2.gz ODOMRRHNWVEBEH-UHFFFAOYSA-N 1 0 303.328 1.781 10 0 DDAERO CN(C)C(=O)CCOc1c(Br)cccc1C[NH3+] ZINC000042411420 183265432 /nfs/dbraw/zinc/26/54/32/183265432.db2.gz WFIJMVXOVMDKFF-UHFFFAOYSA-N 1 0 301.184 1.765 10 0 DDAERO CCNC(=O)COc1c(Br)cccc1C[C@H](C)[NH3+] ZINC000042412803 183266980 /nfs/dbraw/zinc/26/69/80/183266980.db2.gz XXKHYFQXXONYCM-VIFPVBQESA-N 1 0 315.211 1.854 10 0 DDAERO CCCO[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH3+])cc2)C1 ZINC000042424114 183268656 /nfs/dbraw/zinc/26/86/56/183268656.db2.gz UBKLRAODVMMWOE-CQSZACIVSA-N 1 0 312.435 1.725 10 0 DDAERO CC[NH2+]C[C@@H](O)CN(C)Cc1ccc(Br)cc1 ZINC000042439950 183270502 /nfs/dbraw/zinc/27/05/02/183270502.db2.gz RSCWFNYCGMFQOO-CYBMUJFWSA-N 1 0 301.228 1.851 10 0 DDAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)NCc2cn[nH]c2)cc1 ZINC000042356806 183258181 /nfs/dbraw/zinc/25/81/81/183258181.db2.gz XATHJWKCNGBRBK-UHFFFAOYSA-N 1 0 308.407 1.386 10 0 DDAERO NC(=O)[C@H]1CCCN1[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042952679 183320705 /nfs/dbraw/zinc/32/07/05/183320705.db2.gz AHOWMSKERXLXJQ-VXGBXAGGSA-N 1 0 312.211 1.399 10 0 DDAERO COc1ccccc1[C@@H](Sc1nc(N)cc(N)n1)[C@@H](C)[NH3+] ZINC000043101977 183338329 /nfs/dbraw/zinc/33/83/29/183338329.db2.gz DJYBRBUVOKRXMF-OQPBUACISA-N 1 0 305.407 1.830 10 0 DDAERO Cn1cc([C@H](C[NH3+])Sc2nnnn2-c2ccccc2)cn1 ZINC000043237646 183345670 /nfs/dbraw/zinc/34/56/70/183345670.db2.gz VZNFBDJREDWDQY-LBPRGKRZSA-N 1 0 301.379 1.188 10 0 DDAERO CC[C@H]([NH3+])[C@H](c1ccc(C)s1)N1CCS(=O)(=O)CC1 ZINC000043240723 183345876 /nfs/dbraw/zinc/34/58/76/183345876.db2.gz WOCDQDDULLZNSF-WCQYABFASA-N 1 0 302.465 1.565 10 0 DDAERO C[C@@H]([NH3+])[C@H](Oc1cccc(S(C)(=O)=O)c1)c1cnn(C)c1 ZINC000043236499 183346063 /nfs/dbraw/zinc/34/60/63/183346063.db2.gz MCOVEHNIVINYET-YGRLFVJLSA-N 1 0 309.391 1.291 10 0 DDAERO COC[C@H](O)CN(C)[C@@H](C[NH3+])c1ccccc1Br ZINC000043093334 183336566 /nfs/dbraw/zinc/33/65/66/183336566.db2.gz QYZVJHYFTPMHTH-MFKMUULPSA-N 1 0 317.227 1.388 10 0 DDAERO C[NH2+]Cc1ccc(O[C@H](C)C(=O)NCCOC)c(Cl)c1 ZINC000043478069 183365862 /nfs/dbraw/zinc/36/58/62/183365862.db2.gz TWHPTSQWXJNEIW-SNVBAGLBSA-N 1 0 300.786 1.589 10 0 DDAERO C[C@@H](C(=O)Nc1nc2c(s1)C[NH2+]CC2)N1[C@H](C)CC[C@H]1C ZINC000043559813 183371291 /nfs/dbraw/zinc/37/12/91/183371291.db2.gz YMYOCFWPWBUJLM-MXWKQRLJSA-N 1 0 308.451 1.989 10 0 DDAERO CC(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(N)cc2F)C1 ZINC000043592956 183374342 /nfs/dbraw/zinc/37/43/42/183374342.db2.gz VDLZTPYPISRFOQ-NSHDSACASA-N 1 0 315.414 1.417 10 0 DDAERO C[C@H]([NH2+]C[C@H]1CCCCN1C)c1ccc(S(N)(=O)=O)cc1 ZINC000044561293 183422591 /nfs/dbraw/zinc/42/25/91/183422591.db2.gz VGHPQWBAASKCOO-GXTWGEPZSA-N 1 0 311.451 1.469 10 0 DDAERO Cc1ccccc1C(C)(C)CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000104794703 194039660 /nfs/dbraw/zinc/03/96/60/194039660.db2.gz WRBXFJDWYWXXOG-OAHLLOKOSA-N 1 0 319.449 1.902 10 0 DDAERO CC[C@H]1CN(Cc2cn3ccccc3n2)CC[N@@H+]1CCOC ZINC000105836294 194142513 /nfs/dbraw/zinc/14/25/13/194142513.db2.gz YKZCXSWETBOCIB-INIZCTEOSA-N 1 0 302.422 1.877 10 0 DDAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)Nc1cccnc1Cl ZINC000105871356 194151725 /nfs/dbraw/zinc/15/17/25/194151725.db2.gz DBXKPIOEZFMSHO-UWVGGRQHSA-N 1 0 320.784 1.258 10 0 DDAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)NC(CC)CC)CC2 ZINC000105873252 194153665 /nfs/dbraw/zinc/15/36/65/194153665.db2.gz RGLPGYIEGVFGRM-DGCLKSJQSA-N 1 0 307.442 1.438 10 0 DDAERO C[NH+](C)C[C@H]1CN(Cc2noc(-c3ccccc3)n2)CCO1 ZINC000105926504 194173332 /nfs/dbraw/zinc/17/33/32/194173332.db2.gz CTDPSFQXQPNOHI-AWEZNQCLSA-N 1 0 302.378 1.499 10 0 DDAERO CN1CCO[C@@H](CNC(=O)c2cscc2Br)C1 ZINC000285082490 218283311 /nfs/dbraw/zinc/28/33/11/218283311.db2.gz FZWRSHQGVDFVEF-QMMMGPOBSA-N 1 0 319.224 1.571 10 0 DDAERO C[C@@H](CC[NH+](C)C)NC(=O)COc1ccccc1C(N)=S ZINC000049560054 183741616 /nfs/dbraw/zinc/74/16/16/183741616.db2.gz NWGZTIORUWYORV-NSHDSACASA-N 1 0 309.435 1.156 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000109460311 194266234 /nfs/dbraw/zinc/26/62/34/194266234.db2.gz DNLWFQXIINZEIM-CYBMUJFWSA-N 1 0 309.435 1.719 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN(CCCC(=O)OC)CC1 ZINC000109470140 194267542 /nfs/dbraw/zinc/26/75/42/194267542.db2.gz WAPUNYBVOMTHFI-GFCCVEGCSA-N 1 0 301.456 1.012 10 0 DDAERO CC[NH2+]Cc1sc(N2CC[C@@H](N3CCOCC3)C2)nc1C ZINC000110275801 194318857 /nfs/dbraw/zinc/31/88/57/194318857.db2.gz XKPWDUKFARWCSY-CYBMUJFWSA-N 1 0 310.467 1.472 10 0 DDAERO C[C@H](C[NH2+]C[C@@H]1CCCO1)Oc1ccc(S(C)(=O)=O)cc1 ZINC000053589137 183907515 /nfs/dbraw/zinc/90/75/15/183907515.db2.gz XXXDKDXYHFRFSK-OCCSQVGLSA-N 1 0 313.419 1.626 10 0 DDAERO CCN1CCN(S(=O)(=O)c2ccc([C@@H](C)[NH3+])cc2)C[C@@H]1C ZINC000110763476 194356236 /nfs/dbraw/zinc/35/62/36/194356236.db2.gz QHJLYJYYNQNNHS-QWHCGFSZSA-N 1 0 311.451 1.421 10 0 DDAERO CCC[NH2+]Cc1c(N2CCNC(=O)[C@@H]2C)nc2sccn12 ZINC000110662007 194347190 /nfs/dbraw/zinc/34/71/90/194347190.db2.gz HAXNNZJYTUQJNU-JTQLQIEISA-N 1 0 307.423 1.220 10 0 DDAERO C[C@@H]1C(=O)NCCN1[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000110655368 194347523 /nfs/dbraw/zinc/34/75/23/194347523.db2.gz BAMSWJHEUOIPHC-SKDRFNHKSA-N 1 0 312.211 1.269 10 0 DDAERO CC1(C)Cc2nc(N3CCNC(=O)C3(C)C)sc2[C@H]([NH3+])C1 ZINC000110664156 194348611 /nfs/dbraw/zinc/34/86/11/194348611.db2.gz ABSQXYGKEDIRSO-SECBINFHSA-N 1 0 308.451 1.830 10 0 DDAERO CCNS(=O)(=O)c1ccccc1NCC[C@@H]1CCC[NH2+]C1 ZINC000110793827 194358961 /nfs/dbraw/zinc/35/89/61/194358961.db2.gz ANRUIOLJFVESGY-ZDUSSCGKSA-N 1 0 311.451 1.786 10 0 DDAERO COc1ccc([C@@H](C[NH3+])N2CCOCC2)c(Cl)c1OC ZINC000110827314 194361764 /nfs/dbraw/zinc/36/17/64/194361764.db2.gz VJIRLLXNNFZAMZ-LLVKDONJSA-N 1 0 300.786 1.689 10 0 DDAERO COC(=O)c1sccc1NC(=O)CN(C)[C@@H]1CCC[NH2+]C1 ZINC000110930697 194370925 /nfs/dbraw/zinc/37/09/25/194370925.db2.gz XXDNTSSCZUJKCA-SNVBAGLBSA-N 1 0 311.407 1.157 10 0 DDAERO CCN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000110941559 194371923 /nfs/dbraw/zinc/37/19/23/194371923.db2.gz HFDCDROOSJVFEP-AWEZNQCLSA-N 1 0 310.419 1.652 10 0 DDAERO O=C1CC[C@H]([NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)CN1 ZINC000111019527 194383519 /nfs/dbraw/zinc/38/35/19/194383519.db2.gz QWPODAJFDAAZIZ-RYUDHWBXSA-N 1 0 302.296 1.607 10 0 DDAERO CN([C@@H](C[NH3+])c1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 ZINC000111039351 194386005 /nfs/dbraw/zinc/38/60/05/194386005.db2.gz UQTWCXWYRPCBQX-SKDRFNHKSA-N 1 0 304.362 1.084 10 0 DDAERO CCN[C@](C)(CCC[N@H+](C)C[C@@H]1CCCOC1)C(=O)OC ZINC000111169467 194397346 /nfs/dbraw/zinc/39/73/46/194397346.db2.gz OBUUWUUBZJTVHP-GOEBONIOSA-N 1 0 300.443 1.666 10 0 DDAERO CN(C[C@H]1CCCOC1)S(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000111167051 194397535 /nfs/dbraw/zinc/39/75/35/194397535.db2.gz BKZFLMPBRRDVBP-LLVKDONJSA-N 1 0 316.398 1.332 10 0 DDAERO Oc1ccc(C[NH2+]C[C@@H]2COCCO2)cc1Br ZINC000057997788 184066204 /nfs/dbraw/zinc/06/62/04/184066204.db2.gz PRYRSCQXWNWKMX-SNVBAGLBSA-N 1 0 302.168 1.660 10 0 DDAERO CC[NH2+]C[C@@H](C)C(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000061236420 184166625 /nfs/dbraw/zinc/16/66/25/184166625.db2.gz OXOLYIOEZLRTFD-MGPQQGTHSA-N 1 0 300.468 1.745 10 0 DDAERO CCN(Cc1cccc(Cl)c1)C(=O)CN1CCC[NH2+]CC1 ZINC000061272131 184167253 /nfs/dbraw/zinc/16/72/53/184167253.db2.gz DTNBIQVPIYIKDS-UHFFFAOYSA-N 1 0 309.841 1.984 10 0 DDAERO O=C(CN1CCC[NH2+]CC1)NC1CCC(C(F)(F)F)CC1 ZINC000061271211 184167301 /nfs/dbraw/zinc/16/73/01/184167301.db2.gz FSFBRUFASYXTDR-UHFFFAOYSA-N 1 0 307.360 1.519 10 0 DDAERO NC(=S)[C@H](C(=O)NCC[NH+]1CCCCC1)c1ccccc1 ZINC000061616514 184178614 /nfs/dbraw/zinc/17/86/14/184178614.db2.gz FVNULVCXGDCSTD-CQSZACIVSA-N 1 0 305.447 1.658 10 0 DDAERO NC(=S)[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000061616672 184178650 /nfs/dbraw/zinc/17/86/50/184178650.db2.gz KYTPZPVTFLQMRA-TZMCWYRMSA-N 1 0 303.431 1.409 10 0 DDAERO C[NH+](C)C[C@H]1CCCN1c1ncc(Br)cc1CO ZINC000061652022 184181382 /nfs/dbraw/zinc/18/13/82/184181382.db2.gz ZPOJMHQTCKHKKG-GFCCVEGCSA-N 1 0 314.227 1.867 10 0 DDAERO CCOC(=O)[C@@](C)(CCC[N@@H+]1CCCOCC1)NC(C)C ZINC000061933489 184196813 /nfs/dbraw/zinc/19/68/13/184196813.db2.gz HLZJZDGEPCCLTQ-MRXNPFEDSA-N 1 0 300.443 1.809 10 0 DDAERO COCCC[N@H+](C)CCC(=O)Nc1ccccc1C(N)=S ZINC000062031585 184202301 /nfs/dbraw/zinc/20/23/01/184202301.db2.gz FWYYXADWHGAKFA-UHFFFAOYSA-N 1 0 309.435 1.618 10 0 DDAERO C[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)C[C@H]1CCC[NH2+]C1 ZINC000062037911 184202761 /nfs/dbraw/zinc/20/27/61/184202761.db2.gz AMYNCKOWXYIUDB-JSGCOSHPSA-N 1 0 314.426 1.676 10 0 DDAERO C[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000062037913 184203007 /nfs/dbraw/zinc/20/30/07/184203007.db2.gz NUTQVWNWGJPHKN-LBPRGKRZSA-N 1 0 314.426 1.676 10 0 DDAERO COC(=O)[C@@H](CC[N@H+](CCN(C)C)CC(C)C)NC(C)C ZINC000062456448 184237588 /nfs/dbraw/zinc/23/75/88/184237588.db2.gz NQLCSVLVPZTHLK-OAHLLOKOSA-N 1 0 301.475 1.436 10 0 DDAERO CCN[C@@H](CC[N@H+](CCOC)[C@@H](C)C1CC1)C(=O)OCC ZINC000062463343 184238463 /nfs/dbraw/zinc/23/84/63/184238463.db2.gz UDLNISWZRCGULK-ZFWWWQNUSA-N 1 0 300.443 1.665 10 0 DDAERO CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C[NH2+]CCOC ZINC000062731019 184251049 /nfs/dbraw/zinc/25/10/49/184251049.db2.gz XGRPWTYUGPYZSH-LLVKDONJSA-N 1 0 314.813 1.979 10 0 DDAERO CCN(CC(=O)NC)c1cccc(Cl)c1C[NH2+]CCOC ZINC000062737287 184252255 /nfs/dbraw/zinc/25/22/55/184252255.db2.gz BSDXXFHBKWAPEW-UHFFFAOYSA-N 1 0 313.829 1.648 10 0 DDAERO C[C@]1(C(=O)N[C@H]2CCC[C@H](OCC(F)(F)F)C2)CC[NH2+]C1 ZINC000062891718 184258350 /nfs/dbraw/zinc/25/83/50/184258350.db2.gz KANCRJGMWPTGGF-GVXVVHGQSA-N 1 0 308.344 1.992 10 0 DDAERO CCC[C@@]1(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[NH2+]C1 ZINC000062888719 184258440 /nfs/dbraw/zinc/25/84/40/184258440.db2.gz ANYHCUNGNMBGHC-CQSZACIVSA-N 1 0 311.407 1.052 10 0 DDAERO CCC[C@]1(C(=O)N2CCSC[C@@H]2C(=O)OCC)CC[NH2+]C1 ZINC000062894851 184258899 /nfs/dbraw/zinc/25/88/99/184258899.db2.gz QKHRVWRXIVRCEN-DOMZBBRYSA-N 1 0 314.451 1.273 10 0 DDAERO O=S(=O)(NOCC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000062578216 184244472 /nfs/dbraw/zinc/24/44/72/184244472.db2.gz FVETUIDJZHUASY-UHFFFAOYSA-N 1 0 302.371 1.522 10 0 DDAERO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)N(C)Cc1ccccc1 ZINC000063194050 184277844 /nfs/dbraw/zinc/27/78/44/184277844.db2.gz TVBHQJMOTLPFAB-DZGCQCFKSA-N 1 0 311.451 1.565 10 0 DDAERO C[C@H](C(=O)Nc1cc(Cl)ccc1N)N1CC[C@H]([NH+](C)C)C1 ZINC000062963774 184263206 /nfs/dbraw/zinc/26/32/06/184263206.db2.gz WBQXNFQCXRMVBW-PWSUYJOCSA-N 1 0 310.829 1.885 10 0 DDAERO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cnc(Cl)s2)C1 ZINC000062970777 184263859 /nfs/dbraw/zinc/26/38/59/184263859.db2.gz CZJLUBRMCXVBDO-SECBINFHSA-N 1 0 323.871 1.901 10 0 DDAERO Nc1csc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000062975780 184264224 /nfs/dbraw/zinc/26/42/24/184264224.db2.gz GTHREGBGGUEWKC-GFCCVEGCSA-N 1 0 315.464 1.579 10 0 DDAERO NNc1ccc(Cl)cc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062985122 184264726 /nfs/dbraw/zinc/26/47/26/184264726.db2.gz KMBWLLOFAKDNTM-LBPRGKRZSA-N 1 0 308.813 1.936 10 0 DDAERO CC[C@@H](O)c1cccc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000062983762 184264923 /nfs/dbraw/zinc/26/49/23/184264923.db2.gz GEUMMXUKOBHKLV-DZGCQCFKSA-N 1 0 312.435 1.455 10 0 DDAERO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(Cl)nc(NN)c2)C1 ZINC000062985104 184264947 /nfs/dbraw/zinc/26/49/47/184264947.db2.gz HVIVLOBYMLFZRH-LLVKDONJSA-N 1 0 311.817 1.577 10 0 DDAERO O=S(=O)(C[C@H]1CCCC[NH2+]1)N1CCOc2ccccc2C1 ZINC000063013972 184266555 /nfs/dbraw/zinc/26/65/55/184266555.db2.gz YTWWCRIKUGOWHN-CQSZACIVSA-N 1 0 310.419 1.353 10 0 DDAERO CN(CC1CC[NH+](C)CC1)C(=O)c1nc(NN)ccc1Cl ZINC000063125851 184271570 /nfs/dbraw/zinc/27/15/70/184271570.db2.gz UKTNLCDTAVMACR-UHFFFAOYSA-N 1 0 311.817 1.434 10 0 DDAERO CC(C)[NH2+]C[C@H]1CCCN(S(=O)(=O)N2CCCC[C@@H]2C)C1 ZINC000063138666 184273272 /nfs/dbraw/zinc/27/32/72/184273272.db2.gz JZSYRWLKFMYIAK-LSDHHAIUSA-N 1 0 317.499 1.816 10 0 DDAERO CCOCCS(=O)(=O)N(CCC[NH3+])c1ccc(F)cc1 ZINC000063153253 184274361 /nfs/dbraw/zinc/27/43/61/184274361.db2.gz PQUGPQBIACTIJP-UHFFFAOYSA-N 1 0 304.387 1.347 10 0 DDAERO CCC[NH+]1CCN(Cc2nc3nc(C)cc(N(C)C)n3n2)CC1 ZINC000065311676 184324447 /nfs/dbraw/zinc/32/44/47/184324447.db2.gz LETVTAGQSBMDJF-UHFFFAOYSA-N 1 0 317.441 1.026 10 0 DDAERO CCCC[NH2+]CC(=O)Nc1ccc(C(=O)NCCOC)cc1 ZINC000066213929 184397331 /nfs/dbraw/zinc/39/73/31/184397331.db2.gz YNGJQJIMDVLCDO-UHFFFAOYSA-N 1 0 307.394 1.391 10 0 DDAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000120433342 195165783 /nfs/dbraw/zinc/16/57/83/195165783.db2.gz BLXHBLSNPRLGJG-WWGRRREGSA-N 1 0 324.446 1.767 10 0 DDAERO COc1ccsc1S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000120616152 195202469 /nfs/dbraw/zinc/20/24/69/195202469.db2.gz WKSWAFFDFSLAFD-GHMZBOCLSA-N 1 0 316.448 1.614 10 0 DDAERO CC[C@@H]1CN(Cc2ccc(OC)cc2OC)CC[N@@H+]1C[C@@H](C)O ZINC000120677421 195214058 /nfs/dbraw/zinc/21/40/58/195214058.db2.gz JQOMWBRHNBEAMP-GDBMZVCRSA-N 1 0 322.449 1.981 10 0 DDAERO Cn1cnc2c1[C@H](C(=O)NCCc1cccs1)C[N@H+](C)C2 ZINC000248165659 257107551 /nfs/dbraw/zinc/10/75/51/257107551.db2.gz ZOROCPGUXJMXMT-GFCCVEGCSA-N 1 0 304.419 1.370 10 0 DDAERO COCCN1CCO[C@@H]2CC[N@H+](Cc3ccccc3C)C[C@H]21 ZINC000248162168 257108620 /nfs/dbraw/zinc/10/86/20/257108620.db2.gz PJTNZHMGUCKOBJ-QZTJIDSGSA-N 1 0 304.434 1.917 10 0 DDAERO Cn1cc(C[N@@H+]2CC[C@@H]3O[C@H](C(=O)NCC4CC4)CC[C@@H]32)cn1 ZINC000248103619 257109103 /nfs/dbraw/zinc/10/91/03/257109103.db2.gz FLBBFKMCVKNGMC-JYJNAYRXSA-N 1 0 318.421 1.068 10 0 DDAERO COc1ccc(C[C@@H]2CN(C(=O)C[NH+](C)C)CC[C@@H]2OC)cc1 ZINC000248024935 257110162 /nfs/dbraw/zinc/11/01/62/257110162.db2.gz SDCNWZAALMNMFZ-WBVHZDCISA-N 1 0 320.433 1.663 10 0 DDAERO CN(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3F)C[C@@H]2C1 ZINC000248020560 257111485 /nfs/dbraw/zinc/11/14/85/257111485.db2.gz RDAPMXKZSHJJQP-CABCVRRESA-N 1 0 319.424 1.781 10 0 DDAERO Cc1ncsc1C[N@H+]1C[C@H]2COC[C@@]2(C(=O)NC(C)C)C1 ZINC000248008834 257111580 /nfs/dbraw/zinc/11/15/80/257111580.db2.gz FLNSVYWRXYKVRL-WFASDCNBSA-N 1 0 309.435 1.425 10 0 DDAERO O=C(c1cnccn1)N1CC[C@H]2C[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC000247895754 257114743 /nfs/dbraw/zinc/11/47/43/257114743.db2.gz ZXUVUVGHLWUJJV-HOTGVXAUSA-N 1 0 323.400 1.466 10 0 DDAERO c1coc(CN2CC[C@H]3C[N@@H+](C4CCOCC4)CCO[C@H]3C2)c1 ZINC000247897884 257114797 /nfs/dbraw/zinc/11/47/97/257114797.db2.gz HSTOIEOXROIXEO-YJBOKZPZSA-N 1 0 320.433 1.981 10 0 DDAERO CCCn1cc(C[N@@H+]2CCCN(Cc3ccnn3C)CC2)cn1 ZINC000121678156 195328153 /nfs/dbraw/zinc/32/81/53/195328153.db2.gz DXRPJFLTRYXQRN-UHFFFAOYSA-N 1 0 316.453 1.735 10 0 DDAERO CCC[C@@H]1CN(Cc2nnc(CC)n2C)CC[N@@H+]1CCOC ZINC000121854140 195361338 /nfs/dbraw/zinc/36/13/38/195361338.db2.gz SGLQSMHBZBRCKM-CQSZACIVSA-N 1 0 309.458 1.310 10 0 DDAERO O=C([C@@H]1CCC[NH2+]C1)N1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000121900016 195370685 /nfs/dbraw/zinc/37/06/85/195370685.db2.gz ZVNLNVYUJLLQQP-RDBSUJKOSA-N 1 0 324.446 1.399 10 0 DDAERO O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000122006491 195389580 /nfs/dbraw/zinc/38/95/80/195389580.db2.gz COVLYEMQWFWLFW-LCGIIJARSA-N 1 0 319.449 1.139 10 0 DDAERO NS(=O)(=O)c1ccccc1N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190814 134813257 /nfs/dbraw/zinc/81/32/57/134813257.db2.gz CYCAVVYVNMCCKW-QWHCGFSZSA-N 1 0 309.435 1.445 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CCCO[C@@H]2C)C[C@@H]1CC ZINC000191869650 286085735 /nfs/dbraw/zinc/08/57/35/286085735.db2.gz DGYXDQGLHYTHCT-OWCLPIDISA-N 1 0 312.454 1.761 10 0 DDAERO COc1c(C)cc(S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1C ZINC000124514026 286180656 /nfs/dbraw/zinc/18/06/56/286180656.db2.gz PURQGZWOGVTFCF-OCCSQVGLSA-N 1 0 312.435 1.718 10 0 DDAERO COc1cccc2c1OC[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)C2 ZINC000170838296 286484048 /nfs/dbraw/zinc/48/40/48/286484048.db2.gz JWXJYKLKCBINDY-UONOGXRCSA-N 1 0 319.405 1.344 10 0 DDAERO CO[C@@H]1C=C[C@@]23c4cc5c(cc4C[N@@H+](C[C@@H]2O)[C@H]3C1)OCO5 ZINC000002004156 406682435 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C[C@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)[C@@H]1CCCO1 ZINC000053589264 407171299 /nfs/dbraw/zinc/17/12/99/407171299.db2.gz BDLQILWYBYGINS-WFASDCNBSA-N 1 0 313.419 1.626 10 0 DDAERO O=S(=O)(CC1CC[NH2+]CC1)c1cccc(Br)n1 ZINC000095092381 407207423 /nfs/dbraw/zinc/20/74/23/407207423.db2.gz RWDXQUVOYNAJGF-UHFFFAOYSA-N 1 0 319.224 1.617 10 0 DDAERO CC(C)c1cc(N2CCC3(CC2)C[N@H+](C)CCN3C)ncn1 ZINC000095366157 407210174 /nfs/dbraw/zinc/21/01/74/407210174.db2.gz UFOXOYDJJIOXLY-UHFFFAOYSA-N 1 0 303.454 1.816 10 0 DDAERO C[C@](O)(C[NH2+][C@@H]1CCCc2ccc(F)cc21)CN1CCOCC1 ZINC000097034578 407276237 /nfs/dbraw/zinc/27/62/37/407276237.db2.gz LTJALKOOGZKNER-MSOLQXFVSA-N 1 0 322.424 1.876 10 0 DDAERO CC(C)(O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000103168342 407333128 /nfs/dbraw/zinc/33/31/28/407333128.db2.gz QWBOBRKHLIQXOU-UHFFFAOYSA-N 1 0 318.464 1.262 10 0 DDAERO CCCC(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2cc(C)on2)C1 ZINC000101564095 407311189 /nfs/dbraw/zinc/31/11/89/407311189.db2.gz PIDNVGVWDDOQKJ-ZDUSSCGKSA-N 1 0 322.409 1.692 10 0 DDAERO COC[C@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000103359824 407337940 /nfs/dbraw/zinc/33/79/40/407337940.db2.gz AZMAFDMTIDOVCN-AWEZNQCLSA-N 1 0 305.422 1.968 10 0 DDAERO CC(=O)Oc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000124066253 407347826 /nfs/dbraw/zinc/34/78/26/407347826.db2.gz TVLQFCQJWNYYJP-MRXNPFEDSA-N 1 0 304.390 1.518 10 0 DDAERO C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCC[N@H+](C)CC1 ZINC000103247471 407334610 /nfs/dbraw/zinc/33/46/10/407334610.db2.gz SKESPGSKBKEFHE-CYBMUJFWSA-N 1 0 304.394 1.361 10 0 DDAERO CCN(CC)C(=O)CN(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863038 407356477 /nfs/dbraw/zinc/35/64/77/407356477.db2.gz KGPRQSPUXZRTGG-UHFFFAOYSA-N 1 0 321.469 1.148 10 0 DDAERO CC(C)(C)[NH+]1CCC(NC(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000112745056 407438796 /nfs/dbraw/zinc/43/87/96/407438796.db2.gz JRASARITRMDPNU-ZDUSSCGKSA-N 1 0 320.441 1.155 10 0 DDAERO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CNC(=O)C1)c1ccccc1 ZINC000109275911 407396604 /nfs/dbraw/zinc/39/66/04/407396604.db2.gz QUZZMNYKLXNGJO-JSGCOSHPSA-N 1 0 303.406 1.368 10 0 DDAERO CCOc1ccc(NC(=O)[C@H](C)[NH2+]C[C@H]2CN(C)CCO2)cc1 ZINC000112548323 407431857 /nfs/dbraw/zinc/43/18/57/407431857.db2.gz LUAQUSUXCUTMDI-BBRMVZONSA-N 1 0 321.421 1.333 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC000185678251 407475561 /nfs/dbraw/zinc/47/55/61/407475561.db2.gz DPERADVVDIWOOW-IUODEOHRSA-N 1 0 311.389 1.780 10 0 DDAERO C[C@@H](NC(=O)NC[C@H]1CCC[N@H+](C)C1)c1nnc2n1CCCC2 ZINC000151714667 407484539 /nfs/dbraw/zinc/48/45/39/407484539.db2.gz OJRYOPBBUYBNIM-CHWSQXEVSA-N 1 0 320.441 1.316 10 0 DDAERO COC(=O)CCCc1nc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)no1 ZINC000113266917 407485879 /nfs/dbraw/zinc/48/58/79/407485879.db2.gz BEAUIQYICGSNDC-QWHCGFSZSA-N 1 0 322.409 1.234 10 0 DDAERO CCCC[NH+]1CCC(NC(=O)N[C@@H](C(=O)NC)C(C)C)CC1 ZINC000178445092 407458901 /nfs/dbraw/zinc/45/89/01/407458901.db2.gz GKZCZUPKWZOXIP-CQSZACIVSA-N 1 0 312.458 1.321 10 0 DDAERO CCN1CCC([N@H+](C)C[C@@H](O)COCc2ccccc2)CC1 ZINC000114503771 407587948 /nfs/dbraw/zinc/58/79/48/407587948.db2.gz OHKOTDIRMCXVBM-GOSISDBHSA-N 1 0 306.450 1.980 10 0 DDAERO COc1cc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)ccn1 ZINC000113586949 407516628 /nfs/dbraw/zinc/51/66/28/407516628.db2.gz ZQHIWDITCQYIJO-TZMCWYRMSA-N 1 0 304.394 1.468 10 0 DDAERO Cc1cccc(C)c1OC[C@@H](O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178628540 407517076 /nfs/dbraw/zinc/51/70/76/407517076.db2.gz QWYJUDJHHHZZEP-SJORKVTESA-N 1 0 304.434 1.823 10 0 DDAERO CCOc1ccccc1CCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170836968 407525377 /nfs/dbraw/zinc/52/53/77/407525377.db2.gz HSMNGLWDTHIDDT-HNNXBMFYSA-N 1 0 305.422 1.973 10 0 DDAERO CCOCc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170843677 407527390 /nfs/dbraw/zinc/52/73/90/407527390.db2.gz RMYBFVVLWKRRJQ-OAHLLOKOSA-N 1 0 319.405 1.324 10 0 DDAERO CCC[C@@H](C(=O)NCC(=O)N1CCCc2ccccc21)[NH+](C)C ZINC000178653179 407531398 /nfs/dbraw/zinc/53/13/98/407531398.db2.gz AZYIJYVELSMBFT-INIZCTEOSA-N 1 0 317.433 1.812 10 0 DDAERO CCN(Cc1ccccc1)C(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261545211 407541126 /nfs/dbraw/zinc/54/11/26/407541126.db2.gz JQOZYZHRCOVQHG-BBWFWOEESA-N 1 0 301.434 1.704 10 0 DDAERO CN(CC(=O)Nc1cccc(Cl)c1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000152024764 407546873 /nfs/dbraw/zinc/54/68/73/407546873.db2.gz ZJYJFSZUTNGZFG-JQWIXIFHSA-N 1 0 309.797 1.864 10 0 DDAERO C[C@@H](C(=O)NCc1ccccc1F)N1CCO[C@H](C[NH+](C)C)C1 ZINC000114803103 407616720 /nfs/dbraw/zinc/61/67/20/407616720.db2.gz PUSSYJWOUBYLKN-DZGCQCFKSA-N 1 0 323.412 1.093 10 0 DDAERO Cc1ccc([C@@H](CNC(=O)C[C@H](C)[NH3+])N2CCOCC2)s1 ZINC000261790435 407616832 /nfs/dbraw/zinc/61/68/32/407616832.db2.gz KIEUKULLOPKOPT-WCQYABFASA-N 1 0 311.451 1.283 10 0 DDAERO Cc1cccc(NC(=O)NCC(=O)N2CC[C@@](C)(C[NH3+])C2)c1 ZINC000261806791 407623526 /nfs/dbraw/zinc/62/35/26/407623526.db2.gz HGFKMELWGPPPMM-INIZCTEOSA-N 1 0 304.394 1.314 10 0 DDAERO CCOC(=O)c1nn(C)cc1CN[C@@H](CC(C)C)C[NH+](C)C ZINC000186342781 407640379 /nfs/dbraw/zinc/64/03/79/407640379.db2.gz AMMWKKQLBQOCDN-AWEZNQCLSA-N 1 0 310.442 1.663 10 0 DDAERO COc1cccc2c1CC[C@@H]2NC(=O)C1(C[NH3+])CCOCC1 ZINC000261868729 407647078 /nfs/dbraw/zinc/64/70/78/407647078.db2.gz CVXDDBQZLRGYCS-AWEZNQCLSA-N 1 0 304.390 1.554 10 0 DDAERO CC(C)n1c(CNC(=O)C2([NH3+])CCOCC2)nc2ccccc21 ZINC000261881514 407654203 /nfs/dbraw/zinc/65/42/03/407654203.db2.gz PIPGVIYWPDAOKK-UHFFFAOYSA-N 1 0 316.405 1.741 10 0 DDAERO c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)O2 ZINC000261892794 407655707 /nfs/dbraw/zinc/65/57/07/407655707.db2.gz GRDPTHLFOCAQPO-VQHPVUNQSA-N 1 0 302.418 1.737 10 0 DDAERO COc1ccc(-c2noc(C3(C[NH3+])CCOCC3)n2)cc1OC ZINC000261963191 407692069 /nfs/dbraw/zinc/69/20/69/407692069.db2.gz YAAGNSBFPCJUFE-UHFFFAOYSA-N 1 0 319.361 1.761 10 0 DDAERO c1c(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)nc2n1CCCC2 ZINC000262007117 407708465 /nfs/dbraw/zinc/70/84/65/407708465.db2.gz VFHQRIDOPCCRRX-ZACQAIPSSA-N 1 0 318.465 1.509 10 0 DDAERO O[C@@H](COc1ccccc1)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171617860 407720317 /nfs/dbraw/zinc/72/03/17/407720317.db2.gz XYQCHYYXHDGTPP-LSDHHAIUSA-N 1 0 302.378 1.355 10 0 DDAERO COCCN(C)c1ccc(CN(C)[C@H]2CCC[NH2+]CC2)cn1 ZINC000262052668 407726023 /nfs/dbraw/zinc/72/60/23/407726023.db2.gz ZTQCZONOAGYVTH-INIZCTEOSA-N 1 0 306.454 1.738 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCCN1CCCC1=O ZINC000178929694 407661450 /nfs/dbraw/zinc/66/14/50/407661450.db2.gz BYRQGAUYEXFSQN-OAHLLOKOSA-N 1 0 324.469 1.419 10 0 DDAERO COC(=O)c1ccccc1CC[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000186682156 407741815 /nfs/dbraw/zinc/74/18/15/407741815.db2.gz BTJVJZMNQDRZJM-HNNXBMFYSA-N 1 0 304.390 1.616 10 0 DDAERO COc1ccc(CN2C[C@@H](C)[C@@H]([NH3+])C2)c(Br)c1O ZINC000262120443 407744522 /nfs/dbraw/zinc/74/45/22/407744522.db2.gz XFZAGFYKCKRXDW-SCZZXKLOSA-N 1 0 315.211 1.942 10 0 DDAERO COc1cccc(Cl)c1CC(=O)NC[C@@H]1CN(C)CCO1 ZINC000153070079 407746482 /nfs/dbraw/zinc/74/64/82/407746482.db2.gz 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10 0 DDAERO CCCCOC(=O)[C@H](C)N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000246929516 698357542 /nfs/dbraw/zinc/35/75/42/698357542.db2.gz QIULIEMHAQWZBV-GJZGRUSLSA-N 1 0 300.443 1.761 10 0 DDAERO C[C@@H](C(=O)N[C@@H]1CCC[NH2+][C@H]1C)n1nnc(-c2ccccc2)n1 ZINC000248899364 698383216 /nfs/dbraw/zinc/38/32/16/698383216.db2.gz YKZKAZZSHRNSDP-SGMGOOAPSA-N 1 0 314.393 1.158 10 0 DDAERO C[C@H]1CN(c2ccc(S(=O)(=O)C(F)F)cc2)CC[C@H]1[NH3+] ZINC000251878961 698401573 /nfs/dbraw/zinc/40/15/73/698401573.db2.gz UPPUPTGNCVASRF-JOYOIKCWSA-N 1 0 304.362 1.856 10 0 DDAERO C[NH2+][C@@H](C)CNC(=O)c1nnn(-c2cccc3ncccc32)c1C ZINC000261643368 698430620 /nfs/dbraw/zinc/43/06/20/698430620.db2.gz DLHVSUWPCNTGFL-NSHDSACASA-N 1 0 324.388 1.462 10 0 DDAERO C[C@@H]([NH3+])CC(=O)Nc1cccc(NC(=O)[C@@H](C)n2cccn2)c1 ZINC000261692554 698433107 /nfs/dbraw/zinc/43/31/07/698433107.db2.gz CCDBBFOXQPARMH-VXGBXAGGSA-N 1 0 315.377 1.759 10 0 DDAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000261727030 698434844 /nfs/dbraw/zinc/43/48/44/698434844.db2.gz LFFYCSAAMLWTBT-IUCAKERBSA-N 1 0 318.826 1.550 10 0 DDAERO CCS(=O)(=O)c1ccc(NC[C@@]2(COC)CCC[NH2+]2)cc1 ZINC000261756772 698436179 /nfs/dbraw/zinc/43/61/79/698436179.db2.gz ULCYIHHNMWJCGZ-OAHLLOKOSA-N 1 0 312.435 1.661 10 0 DDAERO Cc1c(S(=O)(=O)N[C@@H]2CCC[NH2+][C@H]2C)c2ccccc2n1C ZINC000262314955 698464447 /nfs/dbraw/zinc/46/44/47/698464447.db2.gz PPWCMZVDJCLGKU-SMDDNHRTSA-N 1 0 321.446 1.906 10 0 DDAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCNC1=O ZINC000299986746 698599968 /nfs/dbraw/zinc/59/99/68/698599968.db2.gz NNNUFBMNMAKUOZ-XQQFMLRXSA-N 1 0 311.426 1.548 10 0 DDAERO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC000309963728 698668943 /nfs/dbraw/zinc/66/89/43/698668943.db2.gz CCWOMTYQLARMML-NWDGAFQWSA-N 1 0 322.471 1.655 10 0 DDAERO C=Cn1cc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cn1 ZINC000702765055 699232431 /nfs/dbraw/zinc/23/24/31/699232431.db2.gz QVAWXRZICILNLL-UONOGXRCSA-N 1 0 322.409 1.301 10 0 DDAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+]C[C@H]2CCC=CO2)C1 ZINC000705681633 699241886 /nfs/dbraw/zinc/24/18/86/699241886.db2.gz UFCCIIVHNQFOEC-MCIONIFRSA-N 1 0 312.410 1.497 10 0 DDAERO C[C@@H]([NH2+][C@@H](C)[C@H](C)O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000711028753 699255779 /nfs/dbraw/zinc/25/57/79/699255779.db2.gz DWKAIWYAKDBAII-QNWHQSFQSA-N 1 0 302.415 1.370 10 0 DDAERO CCn1cc(C[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)nn1 ZINC000711474692 699258131 /nfs/dbraw/zinc/25/81/31/699258131.db2.gz HRVBILVGJULGJI-UHFFFAOYSA-N 1 0 309.414 1.691 10 0 DDAERO [NH3+][C@H]1C[C@H](CNc2ncc(I)cn2)C1 ZINC000715129409 699274275 /nfs/dbraw/zinc/27/42/75/699274275.db2.gz RCRUFKCIICBGFJ-FKQCQYRASA-N 1 0 304.135 1.230 10 0 DDAERO CC(C)(C)OC(=O)N1CCC(C[NH2+]C2CC(C(N)=O)C2)CC1 ZINC000716698282 699283344 /nfs/dbraw/zinc/28/33/44/699283344.db2.gz JLVWNLHJFYGDEP-UHFFFAOYSA-N 1 0 311.426 1.487 10 0 DDAERO NC(=O)C1CC([NH2+][C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000716714608 699283913 /nfs/dbraw/zinc/28/39/13/699283913.db2.gz CTXVMLWMLAODJB-SLTAFYQDSA-N 1 0 317.389 1.251 10 0 DDAERO CS(=O)(=O)c1ccccc1NC[C@@H]1C[NH2+]CCC1(F)F ZINC000716998970 699285677 /nfs/dbraw/zinc/28/56/77/699285677.db2.gz PGPOSMCTAXVEJN-JTQLQIEISA-N 1 0 304.362 1.747 10 0 DDAERO Cc1nc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)sc1Br ZINC000719275085 699300409 /nfs/dbraw/zinc/30/04/09/699300409.db2.gz QVIUVBMZUHPQGE-DTWKUNHWSA-N 1 0 318.240 1.387 10 0 DDAERO [NH3+][C@@H]1CN(c2ccc(C(F)(F)F)nn2)C[C@H]1C(F)(F)F ZINC000720881971 699309745 /nfs/dbraw/zinc/30/97/45/699309745.db2.gz YPPSZMBABGSPQE-PHDIDXHHSA-N 1 0 300.206 1.821 10 0 DDAERO Cc1n[nH]cc1C[N@@H+]1CCC[C@@](O)(Cc2nc(C3CC3)no2)C1 ZINC000818188114 702601545 /nfs/dbraw/zinc/60/15/45/702601545.db2.gz MDIWUKAUBLYYOX-MRXNPFEDSA-N 1 0 317.393 1.548 10 0 DDAERO CCn1nccc1CC[N@@H+]1CCC[C@](O)(Cc2nc(C)no2)C1 ZINC000886079942 708694145 /nfs/dbraw/zinc/69/41/45/708694145.db2.gz FDPMALIVYLHWOQ-INIZCTEOSA-N 1 0 319.409 1.207 10 0 DDAERO CCc1ccc(C[N@@H+]2CCC[C@](O)(Cc3nncn3C)C2)o1 ZINC000886088899 708696171 /nfs/dbraw/zinc/69/61/71/708696171.db2.gz OORWIEDTMDYRLV-INIZCTEOSA-N 1 0 304.394 1.540 10 0 DDAERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)C(=O)Cc2nnc(C)o2)C1 ZINC000886093737 708696901 /nfs/dbraw/zinc/69/69/01/708696901.db2.gz FUXZNKWLQRFBIN-MJBXVCDLSA-N 1 0 322.409 1.021 10 0 DDAERO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2NC(=O)c2ocnc2C2CC2)C1 ZINC000888076781 709209650 /nfs/dbraw/zinc/20/96/50/709209650.db2.gz CEYIXXJVLYMNFU-MCIONIFRSA-N 1 0 319.405 1.924 10 0 DDAERO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)C1CC(F)(F)C1)C2 ZINC000888095273 709211699 /nfs/dbraw/zinc/21/16/99/709211699.db2.gz UGHAPKUVDRKJKL-GUIRCDHDSA-N 1 0 316.392 1.628 10 0 DDAERO CCc1nnc2n1C[C@H](NC(=O)[C@H]1CC[C@@H]3CCCC[N@H+]13)CC2 ZINC000900478876 709614946 /nfs/dbraw/zinc/61/49/46/709614946.db2.gz ONEXSGBCNGKONQ-HZSPNIEDSA-N 1 0 317.437 1.288 10 0 DDAERO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3c[nH]nc3[C@H]3CCOC3)C[C@@]2(C)C1 ZINC000913280999 713190171 /nfs/dbraw/zinc/19/01/71/713190171.db2.gz JQIVLJPMFLQQRT-AFAVFJNCSA-N 1 0 318.421 1.327 10 0 DDAERO COc1ccc([C@H](C)C(=O)N(CCO)C2CC[NH+](C)CC2)cc1 ZINC000911939213 711079006 /nfs/dbraw/zinc/07/90/06/711079006.db2.gz QYABOOCAGKYTMH-AWEZNQCLSA-N 1 0 320.433 1.714 10 0 DDAERO CN(C)C(=O)C[C@]1(O)CCC[N@H+](CCSc2ccncc2)C1 ZINC000930773129 713917013 /nfs/dbraw/zinc/91/70/13/713917013.db2.gz BXHXRTLOWYZEAA-MRXNPFEDSA-N 1 0 323.462 1.479 10 0 DDAERO Cc1ncoc1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000074645742 185005330 /nfs/dbraw/zinc/00/53/30/185005330.db2.gz HKGAMGVGMZOBLO-UHFFFAOYSA-N 1 0 314.389 1.916 10 0 DDAERO Cc1nc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)sc1C ZINC000248682909 282099620 /nfs/dbraw/zinc/09/96/20/282099620.db2.gz QIGHDUOPGQNOJZ-BXKDBHETSA-N 1 0 324.450 1.543 10 0 DDAERO CCc1cnc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)s1 ZINC000248686118 282100023 /nfs/dbraw/zinc/10/00/23/282100023.db2.gz ZJOKZFBDYBKCKD-ZYHUDNBSSA-N 1 0 324.450 1.489 10 0 DDAERO COC(=O)c1ccnc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000248835985 282110567 /nfs/dbraw/zinc/11/05/67/282110567.db2.gz OFHVMAXVRNVATI-AAEUAGOBSA-N 1 0 318.377 1.569 10 0 DDAERO C[NH2+][C@H](CS(=O)(=O)C(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000081924432 192340211 /nfs/dbraw/zinc/34/02/11/192340211.db2.gz DRVZCSUHVSFVOR-GFCCVEGCSA-N 1 0 313.419 1.932 10 0 DDAERO C[NH2+][C@@H]1CCC2(C[C@@H]1S(=O)(=O)c1cccs1)OCCO2 ZINC000081926523 192340216 /nfs/dbraw/zinc/34/02/16/192340216.db2.gz NMRGELFQBGXZIE-MNOVXSKESA-N 1 0 317.432 1.405 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2ccnn2C(C)(C)C)CCO1 ZINC000190420791 282138394 /nfs/dbraw/zinc/13/83/94/282138394.db2.gz OVBJLAHUVMMWSU-LBPRGKRZSA-N 1 0 309.414 1.432 10 0 DDAERO Nc1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000078888090 185123178 /nfs/dbraw/zinc/12/31/78/185123178.db2.gz QGXLAELQFFSOBB-LLVKDONJSA-N 1 0 324.222 1.952 10 0 DDAERO [NH3+][C@@H]1CCCCC[C@H]1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000081935375 192343445 /nfs/dbraw/zinc/34/34/45/192343445.db2.gz FKXKOTDNFLLTOC-IUODEOHRSA-N 1 0 311.403 1.892 10 0 DDAERO NC(=O)[C@]([NH3+])(CSc1ccc(Br)cn1)C1CC1 ZINC000079447351 185171962 /nfs/dbraw/zinc/17/19/62/185171962.db2.gz ZQSYUIBHRVPJNW-NSHDSACASA-N 1 0 316.224 1.529 10 0 DDAERO CS(=O)(=O)c1cccc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])c1 ZINC000079528025 185173924 /nfs/dbraw/zinc/17/39/24/185173924.db2.gz WQVGYXXHEISIHY-QOBDMFJFSA-N 1 0 308.403 1.402 10 0 DDAERO C[NH+]1CCC(N2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000082358423 185177808 /nfs/dbraw/zinc/17/78/08/185177808.db2.gz RLXMMBJIGGPLQE-UHFFFAOYSA-N 1 0 302.422 1.930 10 0 DDAERO [NH3+][C@H](Cc1cc(Br)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000083185137 185217023 /nfs/dbraw/zinc/21/70/23/185217023.db2.gz MDKXCQALFOTRFU-OIBJUYFYSA-N 1 0 324.265 1.815 10 0 DDAERO [NH3+]C1CN(Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000087589882 185228928 /nfs/dbraw/zinc/22/89/28/185228928.db2.gz GKQNXRXTCMAXSZ-UHFFFAOYSA-N 1 0 309.167 1.642 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN(c2nc(CC)ns2)CC1 ZINC000087639967 185229698 /nfs/dbraw/zinc/22/96/98/185229698.db2.gz IMSMNMWAFCEZEU-SNVBAGLBSA-N 1 0 313.496 1.677 10 0 DDAERO CCOC(=O)[C@@H]1CSCCN1C(=O)CCC(C)(C)CC[NH3+] ZINC000087695502 185230751 /nfs/dbraw/zinc/23/07/51/185230751.db2.gz UHBOWFIFSSDTDT-LBPRGKRZSA-N 1 0 316.467 1.649 10 0 DDAERO C[C@H](CCC[C@H](C)[NH3+])C(=O)NCCCOC[C@@H]1CCCO1 ZINC000087699081 185230767 /nfs/dbraw/zinc/23/07/67/185230767.db2.gz CADZSCLVPXWZBV-ILXRZTDVSA-N 1 0 300.443 1.842 10 0 DDAERO CCOC(=O)[C@@H]1CSCCN1C(=O)[C@H](C)CCC[C@@H](C)[NH3+] ZINC000087695511 185230800 /nfs/dbraw/zinc/23/08/00/185230800.db2.gz KRIOKVMHHVCCRC-UPJWGTAASA-N 1 0 316.467 1.647 10 0 DDAERO O=C1C[NH2+]CCCN1Cc1ccc(F)cc1Br ZINC000087882192 185234544 /nfs/dbraw/zinc/23/45/44/185234544.db2.gz MVTBYBHLJWFONY-UHFFFAOYSA-N 1 0 301.159 1.910 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN(c2nc(C)cnc2C)CC1 ZINC000088057727 185238479 /nfs/dbraw/zinc/23/84/79/185238479.db2.gz GVIOZJQKAHQJLL-CYBMUJFWSA-N 1 0 307.467 1.670 10 0 DDAERO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1cccnc1N ZINC000088070910 185238957 /nfs/dbraw/zinc/23/89/57/185238957.db2.gz WLJIMXPOZQMCJT-UHFFFAOYSA-N 1 0 312.439 1.159 10 0 DDAERO CCC[NH2+][C@@H]1CCCc2c1cnn2[C@]1(C)CCS(=O)(=O)C1 ZINC000087862184 185233748 /nfs/dbraw/zinc/23/37/48/185233748.db2.gz ITMIWBJNPPSIRK-UKRRQHHQSA-N 1 0 311.451 1.794 10 0 DDAERO CC[NH2+][C@H](CCCS(C)(=O)=O)[C@H]1COc2ccccc2O1 ZINC000087859887 185233883 /nfs/dbraw/zinc/23/38/83/185233883.db2.gz IYAMKRBWRDOQIH-IUODEOHRSA-N 1 0 313.419 1.629 10 0 DDAERO CCCCOCCNc1nc(NN)[nH+]cc1Br ZINC000087868424 185234112 /nfs/dbraw/zinc/23/41/12/185234112.db2.gz MSALOQFPMXNBRD-UHFFFAOYSA-N 1 0 304.192 1.753 10 0 DDAERO C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)S(=O)(=O)CCC(=O)OC ZINC000081975166 192347988 /nfs/dbraw/zinc/34/79/88/192347988.db2.gz XYWCFCBZTMBGPZ-SWLSCSKDSA-N 1 0 313.419 1.622 10 0 DDAERO CCO[C@H](C[NH3+])C[S@](=O)c1ccccc1Br ZINC000088144673 185240743 /nfs/dbraw/zinc/24/07/43/185240743.db2.gz WAGQRZAOGOMBFK-JDNHERCYSA-N 1 0 306.225 1.921 10 0 DDAERO CCC(CC)N1C[C@@H](C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1=O ZINC000249866712 282196980 /nfs/dbraw/zinc/19/69/80/282196980.db2.gz ICTIBCIPOXNJAS-HOCLYGCPSA-N 1 0 321.465 1.720 10 0 DDAERO CCOC(=O)CN(CCOC)C(=O)C[C@@H](C[NH3+])CC(C)C ZINC000088277285 185244554 /nfs/dbraw/zinc/24/45/54/185244554.db2.gz UNANWMLYZBJXES-ZDUSSCGKSA-N 1 0 302.415 1.036 10 0 DDAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N2CC[C@@H](COC)C2)o1 ZINC000088551384 185257385 /nfs/dbraw/zinc/25/73/85/185257385.db2.gz NLNXKBUIEOUUKO-GFCCVEGCSA-N 1 0 316.423 1.436 10 0 DDAERO CCC[C@H](COC)[NH2+]Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000088540855 185255788 /nfs/dbraw/zinc/25/57/88/185255788.db2.gz XTOAPZBNWQKDMO-LLVKDONJSA-N 1 0 304.412 1.435 10 0 DDAERO CCO[C@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+]C)o2)C1 ZINC000088544459 185256577 /nfs/dbraw/zinc/25/65/77/185256577.db2.gz CTXFLYKDMPLOTM-LBPRGKRZSA-N 1 0 302.396 1.189 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)o1 ZINC000088543469 185256614 /nfs/dbraw/zinc/25/66/14/185256614.db2.gz YADZSXIDAQOBHA-GHMZBOCLSA-N 1 0 302.396 1.187 10 0 DDAERO CC[NH2+]C[C@H](Cc1ncnn1C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000088620174 185260367 /nfs/dbraw/zinc/26/03/67/185260367.db2.gz KKDXGRQHGOPBKM-STQMWFEESA-N 1 0 314.455 1.062 10 0 DDAERO CN(C(=O)c1sc2nccnc2c1N)C1CC[NH+](C)CC1 ZINC000088639437 185260543 /nfs/dbraw/zinc/26/05/43/185260543.db2.gz BSPODKCSXJXIGA-UHFFFAOYSA-N 1 0 305.407 1.440 10 0 DDAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1sc2nccnc2c1N ZINC000088643476 185261234 /nfs/dbraw/zinc/26/12/34/185261234.db2.gz RDDDESARZYWTMM-VIFPVBQESA-N 1 0 305.407 1.297 10 0 DDAERO Cc1sc(CO)cc1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000088883987 185268483 /nfs/dbraw/zinc/26/84/83/185268483.db2.gz AGBQBPUYKPFROY-UHFFFAOYSA-N 1 0 318.464 1.264 10 0 DDAERO CCCOc1ccc([C@@H]([NH3+])CS(=O)(=O)CCCOC)cc1 ZINC000081985873 192349582 /nfs/dbraw/zinc/34/95/82/192349582.db2.gz TUJSMHJNECOGQF-HNNXBMFYSA-N 1 0 315.435 1.927 10 0 DDAERO OC[C@H](O)C[NH2+]C1CC(c2ccccc2Br)C1 ZINC000090282285 185289250 /nfs/dbraw/zinc/28/92/50/185289250.db2.gz WQTQTLJQSIECQS-VQXHTEKXSA-N 1 0 300.196 1.638 10 0 DDAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NS(=O)(=O)c1ccccc1Cl ZINC000090312893 185290775 /nfs/dbraw/zinc/29/07/75/185290775.db2.gz GYFKFJYUENBFML-UMNHJUIQSA-N 1 0 304.799 1.123 10 0 DDAERO O=S(=O)(c1cc(Cl)cc(Cl)c1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090322302 185291028 /nfs/dbraw/zinc/29/10/28/185291028.db2.gz CYRUJSBNDYLGBH-IUCAKERBSA-N 1 0 321.229 1.833 10 0 DDAERO CC[C@H]([NH3+])CSCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000090357198 185292286 /nfs/dbraw/zinc/29/22/86/185292286.db2.gz RKRJZULEOJACHR-LBPRGKRZSA-N 1 0 302.465 1.907 10 0 DDAERO [NH3+][C@H]1COC[C@@H]1c1nc(-c2ccc(Br)cc2)no1 ZINC000090364357 185292842 /nfs/dbraw/zinc/29/28/42/185292842.db2.gz MDUKSILORAABML-UWVGGRQHSA-N 1 0 310.151 1.940 10 0 DDAERO CCC(CC)[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)N1CCOCC1 ZINC000173499296 282221723 /nfs/dbraw/zinc/22/17/23/282221723.db2.gz ANCYIPOENSRDLK-HOTGVXAUSA-N 1 0 311.470 1.286 10 0 DDAERO COCCC[S@](=O)C[C@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000081999111 192353956 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COc1ccc2c(c1)[C@H]([NH3+])[C@@H](SCCS(C)(=O)=O)CC2 ZINC000092389249 185315500 /nfs/dbraw/zinc/31/55/00/185315500.db2.gz KXPLXSDSVHNTIT-KBPBESRZSA-N 1 0 315.460 1.788 10 0 DDAERO C[N@@H+]1CC[C@@H](Cn2c(N)nc3cc(Br)cnc32)C1 ZINC000092575371 185326660 /nfs/dbraw/zinc/32/66/60/185326660.db2.gz YIBMUJGLWRFKGP-MRVPVSSYSA-N 1 0 310.199 1.728 10 0 DDAERO C[C@@H](NC(=O)c1cn(C2C[NH2+]C2)nn1)c1ccccc1Cl ZINC000092701891 185333804 /nfs/dbraw/zinc/33/38/04/185333804.db2.gz QFKYUVHBWPBMAW-SECBINFHSA-N 1 0 305.769 1.567 10 0 DDAERO CC1(C)C(NS(=O)(=O)c2ccc(F)c(C[NH3+])c2)C1(C)C ZINC000092817201 185343954 /nfs/dbraw/zinc/34/39/54/185343954.db2.gz WKLGFDTZGGSRNM-UHFFFAOYSA-N 1 0 300.399 1.997 10 0 DDAERO CCC[NH2+][C@@H](C)[C@H]1CCCN(S(=O)(=O)c2c[nH]nc2C)C1 ZINC000111713374 185628704 /nfs/dbraw/zinc/62/87/04/185628704.db2.gz JXXXBXZCGKHSHK-AAEUAGOBSA-N 1 0 314.455 1.507 10 0 DDAERO CC[NH2+][C@@H](C)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000111714668 185629274 /nfs/dbraw/zinc/62/92/74/185629274.db2.gz ZMOIBAYFURKUGC-NSHDSACASA-N 1 0 314.455 1.127 10 0 DDAERO C[NH2+][C@H](C)[C@@H]1CCCCN1S(=O)(=O)c1cncc(F)c1 ZINC000111714933 185629858 /nfs/dbraw/zinc/62/98/58/185629858.db2.gz NKPIYFBZPUMUEP-MFKMUULPSA-N 1 0 301.387 1.372 10 0 DDAERO COc1nc(N[C@H]2CCC[C@H]2C[NH3+])ncc1Br ZINC000235000006 201911788 /nfs/dbraw/zinc/91/17/88/201911788.db2.gz CAZPDKINAHZGIU-CBAPKCEASA-N 1 0 301.188 1.787 10 0 DDAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@H]1c1cccc(N)c1 ZINC000616635997 362764093 /nfs/dbraw/zinc/76/40/93/362764093.db2.gz PBNBEJOYIGILIX-HNNXBMFYSA-N 1 0 320.437 1.740 10 0 DDAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@H]1c1ccncc1 ZINC000616635653 362765036 /nfs/dbraw/zinc/76/50/36/362765036.db2.gz JDWDHFOZIMFKMO-AWEZNQCLSA-N 1 0 306.410 1.553 10 0 DDAERO CCCCS(=O)(=O)N1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)CC1 ZINC000725262744 539570055 /nfs/dbraw/zinc/57/00/55/539570055.db2.gz OJBKPTWOXAONEW-VHSXEESVSA-N 1 0 302.362 1.718 10 0 DDAERO CC(C)(C)OC(=O)c1cn([C@@H]2CCOC3(CC[NH2+]CC3)C2)nn1 ZINC000725271726 539570570 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ZINC000155779861 186112009 /nfs/dbraw/zinc/11/20/09/186112009.db2.gz TXLISJYFJUQEHE-MRXNPFEDSA-N 1 0 305.422 1.721 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H](O)c1cccc(OC)c1 ZINC000171900866 198003841 /nfs/dbraw/zinc/00/38/41/198003841.db2.gz DKSOMRPTNAGPHS-XJKSGUPXSA-N 1 0 323.437 1.758 10 0 DDAERO O=C(NCCc1c(F)cccc1F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171903014 198005426 /nfs/dbraw/zinc/00/54/26/198005426.db2.gz CAGQMLVILBRXJK-GFCCVEGCSA-N 1 0 309.360 1.997 10 0 DDAERO COC(=O)Nc1ccccc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171976324 198019623 /nfs/dbraw/zinc/01/96/23/198019623.db2.gz MSFKIOFBMZTEGQ-LBPRGKRZSA-N 1 0 303.362 1.785 10 0 DDAERO COC[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CCO1 ZINC000172617539 198125279 /nfs/dbraw/zinc/12/52/79/198125279.db2.gz AONAGCZVSWYLNV-JKSUJKDBSA-N 1 0 306.406 1.033 10 0 DDAERO C[C@@H]1CCC[N@H+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)[C@@H]1C ZINC000172863901 198159912 /nfs/dbraw/zinc/15/99/12/198159912.db2.gz BTJXJCTXGYAYAM-MCIONIFRSA-N 1 0 316.401 1.764 10 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1.342 10 0 DDAERO C[C@@H]1Oc2ccc(CC(=O)NCCC[NH+](C)C)cc2NC1=O ZINC000074965888 191397456 /nfs/dbraw/zinc/39/74/56/191397456.db2.gz KJQKMQBULVLTSV-NSHDSACASA-N 1 0 305.378 1.016 10 0 DDAERO CC(C)CN(CCC(N)=[NH2+])S(=O)(=O)c1ccccc1F ZINC000079800733 191973750 /nfs/dbraw/zinc/97/37/50/191973750.db2.gz VBCVJWSKMNRXMF-UHFFFAOYSA-N 1 0 301.387 1.798 10 0 DDAERO CN(CC(C)(C)[NH3+])c1ccc(I)cn1 ZINC000594691971 356286125 /nfs/dbraw/zinc/28/61/25/356286125.db2.gz FQLCHCOKNAQBFW-UHFFFAOYSA-N 1 0 305.163 1.860 10 0 DDAERO C[C@@H](NC(=O)[C@H]1CCC[C@@H]1[NH3+])c1ccc(S(C)(=O)=O)cc1 ZINC000085371925 192496699 /nfs/dbraw/zinc/49/66/99/192496699.db2.gz WSAGIIBMDHXRPH-SWHYSGLUSA-N 1 0 310.419 1.395 10 0 DDAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)NC(=O)c2ccco2)C1 ZINC000081362944 192257995 /nfs/dbraw/zinc/25/79/95/192257995.db2.gz VGIRTVDRMKNMIL-ZIAGYGMSSA-N 1 0 321.421 1.588 10 0 DDAERO CC(C)(C)C[C@@H](C[NH3+])N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081532224 192285245 /nfs/dbraw/zinc/28/52/45/192285245.db2.gz BEYRXWLLVZNJHJ-VIFPVBQESA-N 1 0 305.348 1.876 10 0 DDAERO CC1(C)Cc2nc(N3CCn4cnnc4C3)sc2[C@H]([NH3+])C1 ZINC000081544031 192288006 /nfs/dbraw/zinc/28/80/06/192288006.db2.gz ATRZEPIIXALYTP-SECBINFHSA-N 1 0 304.423 1.727 10 0 DDAERO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cnc(N)c(Cl)c1 ZINC000081695174 192314289 /nfs/dbraw/zinc/31/42/89/192314289.db2.gz UBPKDAZAETWJTJ-SECBINFHSA-N 1 0 318.830 1.032 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N[C@H](C)CCOC)cc1 ZINC000081718072 192316541 /nfs/dbraw/zinc/31/65/41/192316541.db2.gz YRCNMZCYJYLPGH-GFCCVEGCSA-N 1 0 300.424 1.499 10 0 DDAERO C[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1CCCS(C)(=O)=O ZINC000085529646 192514231 /nfs/dbraw/zinc/51/42/31/192514231.db2.gz ACJVCEHLMPQTHN-HIFRSBDPSA-N 1 0 302.484 1.664 10 0 DDAERO C[C@@]1(C2CC2)CN(CCCS(C)(=O)=O)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085516176 192515292 /nfs/dbraw/zinc/51/52/92/192515292.db2.gz XSSOKUHQUYGWKD-JKSUJKDBSA-N 1 0 314.495 1.664 10 0 DDAERO CC[C@H](C)[C@@H]1CN(C2CCS(=O)(=O)CC2)[C@@H](CC)C[NH2+]1 ZINC000086154494 192549413 /nfs/dbraw/zinc/54/94/13/192549413.db2.gz XGKHSRCMMUYYML-YDHLFZDLSA-N 1 0 302.484 1.662 10 0 DDAERO CC[N@@H+]1CCC[C@@H](Nc2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000086840071 192601159 /nfs/dbraw/zinc/60/11/59/192601159.db2.gz RFTMPTJZQNAWLG-CYBMUJFWSA-N 1 0 311.451 1.881 10 0 DDAERO COc1ccc(OC)c(CN(CCO)C(=O)C2CC[NH2+]CC2)c1 ZINC000237232852 202198849 /nfs/dbraw/zinc/19/88/49/202198849.db2.gz WTFHFHUAOYKKRP-UHFFFAOYSA-N 1 0 322.405 1.024 10 0 DDAERO Cc1cc(C)c(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)cc1C[NH3+] ZINC000088960742 192669702 /nfs/dbraw/zinc/66/97/02/192669702.db2.gz BOCAHBUREGFCGG-STQMWFEESA-N 1 0 312.435 1.560 10 0 DDAERO CCC[NH2+]Cc1cc(S(=O)(=O)NC)cc(OC)c1OC ZINC000088981731 192679833 /nfs/dbraw/zinc/67/98/33/192679833.db2.gz DJFLBIITETZPBT-UHFFFAOYSA-N 1 0 302.396 1.112 10 0 DDAERO CCC[NH2+]CCCS(=O)(=O)N1CCC[C@@H](OCCC)C1 ZINC000089003802 192691476 /nfs/dbraw/zinc/69/14/76/192691476.db2.gz QIEOFMRZYMDXJH-CQSZACIVSA-N 1 0 306.472 1.597 10 0 DDAERO COCc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000179229546 199002618 /nfs/dbraw/zinc/00/26/18/199002618.db2.gz FWVUNXIYQHROCN-QAPCUYQASA-N 1 0 304.434 1.986 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)C[C@H](O)c2cccc(F)c2)CCO1 ZINC000180011945 199106521 /nfs/dbraw/zinc/10/65/21/199106521.db2.gz GAFNICKISHWMOZ-GJZGRUSLSA-N 1 0 310.369 1.038 10 0 DDAERO COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cc1 ZINC000180491497 199166553 /nfs/dbraw/zinc/16/65/53/199166553.db2.gz AIGYBQUAAMTACT-RHSMWYFYSA-N 1 0 308.422 1.693 10 0 DDAERO C[C@@H](CC(=O)NCC(=O)Nc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237404835 202257127 /nfs/dbraw/zinc/25/71/27/202257127.db2.gz OBBNOCOZYKSBMM-QWHCGFSZSA-N 1 0 321.396 1.906 10 0 DDAERO COC[C@@H](O)C[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000180725316 199201899 /nfs/dbraw/zinc/20/18/99/199201899.db2.gz JJTNKPUEDBSILU-UONOGXRCSA-N 1 0 314.451 1.061 10 0 DDAERO CC[C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccc(OC)cc1 ZINC000180862241 199220353 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1.084 10 0 DDAERO Cc1nc(CN(C)[C@H](C[NH3+])CC(=O)N2CCCCC2)cs1 ZINC000091325376 193040310 /nfs/dbraw/zinc/04/03/10/193040310.db2.gz YFRLMOOEHHTGJM-AWEZNQCLSA-N 1 0 310.467 1.613 10 0 DDAERO C[NH+](C)[C@@H]1CCCN(CC(=O)Nc2cc(N)ccc2Cl)C1 ZINC000091393016 193051125 /nfs/dbraw/zinc/05/11/25/193051125.db2.gz ODNLSYPTMGGCCJ-GFCCVEGCSA-N 1 0 310.829 1.887 10 0 DDAERO C[C@@](O)(C[NH3+])Cc1nc(-c2cc(Br)cs2)no1 ZINC000091520439 193068027 /nfs/dbraw/zinc/06/80/27/193068027.db2.gz GYKYPMKQEGLZCT-JTQLQIEISA-N 1 0 318.196 1.813 10 0 DDAERO CCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000091544508 193071897 /nfs/dbraw/zinc/07/18/97/193071897.db2.gz ZUUNVUSNIPBFFR-MNOVXSKESA-N 1 0 311.407 1.051 10 0 DDAERO CS(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000091544448 193071911 /nfs/dbraw/zinc/07/19/11/193071911.db2.gz DBGFPWJNVQACFR-BDAKNGLRSA-N 1 0 316.810 1.809 10 0 DDAERO CC[NH2+]Cc1c(Cl)cccc1N1CCN2C(=O)NC[C@@H]2C1 ZINC000091754461 193102104 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ZINC000092116153 193164204 /nfs/dbraw/zinc/16/42/04/193164204.db2.gz FKEYYYXUDWBMOU-UHFFFAOYSA-N 1 0 300.277 1.515 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)N2CCCSCC2)c(F)c1 ZINC000092115871 193164261 /nfs/dbraw/zinc/16/42/61/193164261.db2.gz CKGBLCLMQPIJTJ-UHFFFAOYSA-N 1 0 304.412 1.412 10 0 DDAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)C1 ZINC000092202965 193173197 /nfs/dbraw/zinc/17/31/97/193173197.db2.gz WWBRKJRTYXMDGN-YUMQZZPRSA-N 1 0 307.737 1.513 10 0 DDAERO C[NH2+]Cc1sc(N(C)[C@H]2CCS(=O)(=O)C2)nc1C(C)C ZINC000092999697 193192324 /nfs/dbraw/zinc/19/23/24/193192324.db2.gz KSYOVXCOYARMPC-JTQLQIEISA-N 1 0 317.480 1.609 10 0 DDAERO C[C@H](C[NH2+]C1CC1)[C@H](C)N1CCSC[C@@H]1S(C)(=O)=O ZINC000093071345 193199833 /nfs/dbraw/zinc/19/98/33/193199833.db2.gz SZLADVVTXAKKII-MDZLAQPJSA-N 1 0 306.497 1.183 10 0 DDAERO C[C@@H](O)C[C@@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccccc1 ZINC000262004789 203172172 /nfs/dbraw/zinc/17/21/72/203172172.db2.gz NTAAGBMDQFBHLB-BVUBDWEXSA-N 1 0 306.406 1.164 10 0 DDAERO CCC[C@@](C)([NH3+])C(=O)NC[C@@H](CO)Cc1ccc(OC)c(O)c1 ZINC000262143237 203209707 /nfs/dbraw/zinc/20/97/07/203209707.db2.gz PMKKXKNUKNIFGV-SUMWQHHRSA-N 1 0 324.421 1.186 10 0 DDAERO C[S@](=O)C[C@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000262295291 203252887 /nfs/dbraw/zinc/25/28/87/203252887.db2.gz ORTZUUURJYEYKS-BQLSAVKESA-N 1 0 308.447 1.740 10 0 DDAERO CCC[NH+]1CCC(Nc2ccc(S(N)(=O)=O)c(N)c2)CC1 ZINC000093198710 193214341 /nfs/dbraw/zinc/21/43/41/193214341.db2.gz JBEPCFHLNFJARJ-UHFFFAOYSA-N 1 0 312.439 1.203 10 0 DDAERO NC(=[NH2+])c1c(F)cccc1N1CCN(CC(F)(F)F)CC1 ZINC000093408921 193245911 /nfs/dbraw/zinc/24/59/11/193245911.db2.gz DXDUDRZPYXCANE-UHFFFAOYSA-N 1 0 304.291 1.794 10 0 DDAERO C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C(CO)CO ZINC000093466034 193256109 /nfs/dbraw/zinc/25/61/09/193256109.db2.gz NXRFPVBIWJXDNR-WCQYABFASA-N 1 0 302.415 1.107 10 0 DDAERO Cc1ccc(N[C@@H](C)C[C@H]2CCCC[NH2+]2)cc1S(N)(=O)=O ZINC000093473465 193256992 /nfs/dbraw/zinc/25/69/92/193256992.db2.gz IPRXMDGTTXWQFP-QWHCGFSZSA-N 1 0 311.451 1.975 10 0 DDAERO CS(=O)(=O)[C@@H]1CCC[C@]12CNC(=[NH2+])N2c1ccc(F)cc1 ZINC000093379439 193241057 /nfs/dbraw/zinc/24/10/57/193241057.db2.gz KPHVHRYXPVFUFD-OCCSQVGLSA-N 1 0 311.382 1.296 10 0 DDAERO CCN[C@]1(C(=O)OC)CCC[C@H]1CC[N@H+](C)CCCOC ZINC000093593571 193271315 /nfs/dbraw/zinc/27/13/15/193271315.db2.gz XPUREGUUSVMGGM-GOEBONIOSA-N 1 0 300.443 1.666 10 0 DDAERO C[NH2+][C@]1(C(N)=O)CCC[C@H]1CCN(CC(F)(F)F)C(C)C ZINC000093589839 193271653 /nfs/dbraw/zinc/27/16/53/193271653.db2.gz WNFSWMWKEVQNDW-WCQYABFASA-N 1 0 309.376 1.893 10 0 DDAERO [NH3+][C@H]1CCC[C@H]1CCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000093623355 193275475 /nfs/dbraw/zinc/27/54/75/193275475.db2.gz ICXBPIKRDOLEOW-AAEUAGOBSA-N 1 0 311.403 1.749 10 0 DDAERO CC(C)[NH2+][C@]1(C(N)=O)CCC[C@H]1CCSc1cnccn1 ZINC000093630842 193277038 /nfs/dbraw/zinc/27/70/38/193277038.db2.gz OVOXHHJFTDLMOU-SWLSCSKDSA-N 1 0 308.451 1.981 10 0 DDAERO CN(C)c1nnc(SCC[C@H]2CCC[C@@]2([NH3+])C(N)=O)s1 ZINC000093631055 193277482 /nfs/dbraw/zinc/27/74/82/193277482.db2.gz AKPQUMFTTZDMOG-PELKAZGASA-N 1 0 315.468 1.069 10 0 DDAERO Cc1cccc(CC[NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000093696806 193291617 /nfs/dbraw/zinc/29/16/17/193291617.db2.gz PYSZDUDHXHEZRI-MRXNPFEDSA-N 1 0 310.463 1.799 10 0 DDAERO CS(=O)(=O)N1CCC[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC000093696163 193292179 /nfs/dbraw/zinc/29/21/79/193292179.db2.gz VWPINSQEGCABGP-CYBMUJFWSA-N 1 0 300.399 1.587 10 0 DDAERO CC[NH2+][C@H](C)c1cccn1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093698558 193292796 /nfs/dbraw/zinc/29/27/96/193292796.db2.gz COXZPSPPQQUAMZ-KGLIPLIRSA-N 1 0 313.467 1.830 10 0 DDAERO CC[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccco1 ZINC000093700231 193294237 /nfs/dbraw/zinc/29/42/37/193294237.db2.gz RZDXGPCBCIQLDF-STQMWFEESA-N 1 0 300.424 1.992 10 0 DDAERO COCC[NH2+]CC(C)(C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701484 193294990 /nfs/dbraw/zinc/29/49/90/193294990.db2.gz JSZLZFVHIXXUPM-CYBMUJFWSA-N 1 0 306.472 1.310 10 0 DDAERO CC(C)[NH2+][C@]1(C(N)=O)CCC[C@H](Sc2nccc(=O)[nH]2)C1 ZINC000093776224 193304786 /nfs/dbraw/zinc/30/47/86/193304786.db2.gz AFVQCFVKAVJYAQ-IINYFYTJSA-N 1 0 310.423 1.027 10 0 DDAERO NC(=O)c1csc(C[NH2+]C[C@H]2COc3ccccc3O2)c1 ZINC000093685415 193287949 /nfs/dbraw/zinc/28/79/49/193287949.db2.gz YGZPRYSYENMBLH-NSHDSACASA-N 1 0 304.371 1.777 10 0 DDAERO CCOC(=O)[C@@]1(N)CC[C@H]([N@H+](CCOC)C(CC)CC)C1 ZINC000093828213 193313397 /nfs/dbraw/zinc/31/33/97/193313397.db2.gz KSRHQCJHBZTADS-GOEBONIOSA-N 1 0 300.443 1.937 10 0 DDAERO CCC[NH2+][C@]1(C(=O)[O-])CC[C@H]([N@H+](CCOC)CC(C)C)C1 ZINC000093826704 193313532 /nfs/dbraw/zinc/31/35/32/193313532.db2.gz ICTQWPAECXEFIW-GOEBONIOSA-N 1 0 300.443 1.966 10 0 DDAERO CC[NH2+][C@]1(C(N)=O)CC[C@H](N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000093831876 193314724 /nfs/dbraw/zinc/31/47/24/193314724.db2.gz UCXPIKYYRHZDOW-GMXVVIOVSA-N 1 0 307.360 1.647 10 0 DDAERO CC[NH2+][C@@]1(CO)CC[C@H](Oc2cccc(S(C)(=O)=O)c2)C1 ZINC000093859640 193319824 /nfs/dbraw/zinc/31/98/24/193319824.db2.gz RTVQVJHQFNXHQY-ZFWWWQNUSA-N 1 0 313.419 1.362 10 0 DDAERO CCN(CC(=O)Nc1sccc1C(N)=O)CC(C)(C)C[NH3+] ZINC000093891218 193323984 /nfs/dbraw/zinc/32/39/84/193323984.db2.gz MZGHNDMOCUNXMG-UHFFFAOYSA-N 1 0 312.439 1.092 10 0 DDAERO CCCN(CC1CC[NH2+]CC1)S(=O)(=O)N1CCCC[C@@H]1C ZINC000094024007 193339147 /nfs/dbraw/zinc/33/91/47/193339147.db2.gz NDUWTUNTIQIIGW-AWEZNQCLSA-N 1 0 317.499 1.817 10 0 DDAERO CC[NH2+][C@H]1[C@@H](S(=O)(=O)CC(=O)OCC)CCCC1(C)C ZINC000094281776 193356245 /nfs/dbraw/zinc/35/62/45/193356245.db2.gz UFBGEHVXMUYLJY-AAEUAGOBSA-N 1 0 305.440 1.521 10 0 DDAERO CC[C@H]([NH3+])[C@H](c1cccc(OC)c1)N(C)CCS(C)(=O)=O ZINC000094297503 193356684 /nfs/dbraw/zinc/35/66/84/193356684.db2.gz ICXTZEVJVPFVEW-GJZGRUSLSA-N 1 0 314.451 1.450 10 0 DDAERO C[NH2+][C@H](CN(C)CCS(C)(=O)=O)c1cc(C)ccc1OC ZINC000094298389 193357540 /nfs/dbraw/zinc/35/75/40/193357540.db2.gz RLAFWTWQRLKYEY-CQSZACIVSA-N 1 0 314.451 1.241 10 0 DDAERO CN(CCS(C)(=O)=O)c1nc2c(s1)[C@H]([NH3+])CC(C)(C)C2 ZINC000094301120 193358723 /nfs/dbraw/zinc/35/87/23/193358723.db2.gz MLRZOJYFPWWGPP-SECBINFHSA-N 1 0 317.480 1.596 10 0 DDAERO CN(CCS(C)(=O)=O)C(=O)CC[C@H](CC[NH3+])C(C)(C)C ZINC000094301393 193358745 /nfs/dbraw/zinc/35/87/45/193358745.db2.gz PTHPPNBTXBIAMM-GFCCVEGCSA-N 1 0 306.472 1.281 10 0 DDAERO NC(=O)[C@H]1CCCCN1c1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334201 193360607 /nfs/dbraw/zinc/36/06/07/193360607.db2.gz QHIVFVXAFGWLKB-SECBINFHSA-N 1 0 302.300 1.403 10 0 DDAERO CC1(C)C[NH2+]CCN1c1nc(C(F)(F)F)ccc1C(N)=O ZINC000094337538 193360788 /nfs/dbraw/zinc/36/07/88/193360788.db2.gz MSQRUSJFMUUQDL-UHFFFAOYSA-N 1 0 302.300 1.388 10 0 DDAERO CCNC(=O)COc1c(F)cc(C[NH2+]CCOC)cc1F ZINC000094348125 193363075 /nfs/dbraw/zinc/36/30/75/193363075.db2.gz TUGLAAIOBRFDDL-UHFFFAOYSA-N 1 0 302.321 1.216 10 0 DDAERO Cc1c(F)cc(N)cc1S(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000094359254 193365022 /nfs/dbraw/zinc/36/50/22/193365022.db2.gz NFAFLHMUKSUKMP-UHFFFAOYSA-N 1 0 317.430 1.582 10 0 DDAERO CCS(=O)(=O)CCCOc1ccc(C[NH2+]CCOC)nc1 ZINC000094212478 193349382 /nfs/dbraw/zinc/34/93/82/193349382.db2.gz QPQXCFZYMNNSJM-UHFFFAOYSA-N 1 0 316.423 1.021 10 0 DDAERO [NH3+]C[C@@]1(O[C@H]2CCOC3(CCSCC3)C2)CCCOC1 ZINC000094362006 193365842 /nfs/dbraw/zinc/36/58/42/193365842.db2.gz ZSHWRYMGCOOHOC-ZFWWWQNUSA-N 1 0 301.452 1.956 10 0 DDAERO COc1cccc(C[NH3+])c1O[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094634476 193386506 /nfs/dbraw/zinc/38/65/06/193386506.db2.gz CNXKWARTPLSITE-CHWSQXEVSA-N 1 0 313.419 1.889 10 0 DDAERO Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CC[C@H](C)[NH2+][C@@H]1C ZINC000094665806 193390845 /nfs/dbraw/zinc/39/08/45/193390845.db2.gz MFOBSUYBVRPYEQ-DMDPSCGWSA-N 1 0 300.399 1.941 10 0 DDAERO CCCCN(C(=O)[C@@H](C[NH3+])CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000094698428 193391737 /nfs/dbraw/zinc/39/17/37/193391737.db2.gz KBWORAGSIYVMFG-KGLIPLIRSA-N 1 0 318.483 1.423 10 0 DDAERO Cc1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)c(C(N)=S)c1C ZINC000094440019 193370158 /nfs/dbraw/zinc/37/01/58/193370158.db2.gz QMEOFNSZIHNQEI-GFCCVEGCSA-N 1 0 305.451 1.402 10 0 DDAERO C[NH2+][C@H](CCC(F)(F)F)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000094492960 193373160 /nfs/dbraw/zinc/37/31/60/193373160.db2.gz HGXDXFREGTYCRH-WDEREUQCSA-N 1 0 316.389 1.979 10 0 DDAERO CN(C[C@@H]1CC[N@H+](C)C1)c1nc(Br)cn2ccnc12 ZINC000094491021 193373449 /nfs/dbraw/zinc/37/34/49/193373449.db2.gz WJHDAVAPFPXFHH-SNVBAGLBSA-N 1 0 324.226 1.880 10 0 DDAERO CCC[NH2+][C@H](CCCS(=O)(=O)CC)[C@@H]1CSCCO1 ZINC000094504798 193374697 /nfs/dbraw/zinc/37/46/97/193374697.db2.gz WWBASEHFLSFZQI-OLZOCXBDSA-N 1 0 309.497 1.702 10 0 DDAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)Nc2ccc3c(c2)OC(F)(F)O3)O1 ZINC000094563406 193380292 /nfs/dbraw/zinc/38/02/92/193380292.db2.gz RXGDKDJCYUBDMM-WPRPVWTQSA-N 1 0 300.261 1.453 10 0 DDAERO C[C@H]1CN(c2nc3c(Br)cccn3n2)[C@@H](C)C[NH2+]1 ZINC000094608607 193384475 /nfs/dbraw/zinc/38/44/75/193384475.db2.gz OFZAEKFQBYJQOQ-IUCAKERBSA-N 1 0 310.199 1.678 10 0 DDAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2c1nc2c(Br)cccn2n1 ZINC000094607592 193384751 /nfs/dbraw/zinc/38/47/51/193384751.db2.gz SGUWCKCAENATOZ-PBINXNQUSA-N 1 0 322.210 1.950 10 0 DDAERO Cc1cc(CNS(=O)(=O)C[C@@H]2CCC[NH2+]C2)cc(C)c1F ZINC000094895176 193405837 /nfs/dbraw/zinc/40/58/37/193405837.db2.gz GJZTWNNIJRQNGB-CYBMUJFWSA-N 1 0 314.426 1.862 10 0 DDAERO NS(=O)(=O)c1cccc(NC(=O)[C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000094749115 193395257 /nfs/dbraw/zinc/39/52/57/193395257.db2.gz ZGKNBIFPCJCVEO-QWHCGFSZSA-N 1 0 311.407 1.180 10 0 DDAERO Cc1cc(F)c(N)cc1S(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000094779010 193396678 /nfs/dbraw/zinc/39/66/78/193396678.db2.gz RIIPCMGZSKOTKD-UHFFFAOYSA-N 1 0 315.414 1.431 10 0 DDAERO CS(=O)(=O)[C@H]1CCC[C@H]([N@@H+]2CCc3ccc(N)cc3C2)C1 ZINC000094792409 193398540 /nfs/dbraw/zinc/39/85/40/193398540.db2.gz PCZHBXJRIRGBEK-HOTGVXAUSA-N 1 0 308.447 1.983 10 0 DDAERO CN(CC[C@@H]1CCCC[NH2+]1)S(=O)(=O)c1ccc(F)cc1 ZINC000019843997 182156467 /nfs/dbraw/zinc/15/64/67/182156467.db2.gz 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Nc1csc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000041068039 183161321 /nfs/dbraw/zinc/16/13/21/183161321.db2.gz MVXPGTYFKIUSHW-SECBINFHSA-N 1 0 301.437 1.093 10 0 DDAERO COC(=O)COC[C@H]([NH3+])c1ccc(OC)cc1Br ZINC000041072261 183163396 /nfs/dbraw/zinc/16/33/96/183163396.db2.gz BSHMEOIJRHNBIU-NSHDSACASA-N 1 0 318.167 1.647 10 0 DDAERO CC(C)N(CC(N)=O)c1cc(Br)ccc1C[NH3+] ZINC000042438417 183270497 /nfs/dbraw/zinc/27/04/97/183270497.db2.gz RRSZOWHUYGZLFR-UHFFFAOYSA-N 1 0 300.200 1.608 10 0 DDAERO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1)C[C@H](C)C(N)=S ZINC000042444665 183271304 /nfs/dbraw/zinc/27/13/04/183271304.db2.gz AUFVTUDRYUOPRC-NSHDSACASA-N 1 0 309.435 1.878 10 0 DDAERO CN(CCC(N)=S)C(=O)CC[N@H+](CCO)C1CCCCC1 ZINC000042506546 183277747 /nfs/dbraw/zinc/27/77/47/183277747.db2.gz QGLORUGPIAOIRJ-UHFFFAOYSA-N 1 0 315.483 1.138 10 0 DDAERO C[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)N1CCNC(=O)C1 ZINC000043019928 183328600 /nfs/dbraw/zinc/32/86/00/183328600.db2.gz YVGAJMRSPCBKAY-RNCFNFMXSA-N 1 0 312.211 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/nfs/dbraw/zinc/36/65/35/183366535.db2.gz FBLNIIAFNMTDQT-SNVBAGLBSA-N 1 0 300.786 1.371 10 0 DDAERO Cc1ccc(CNS(=O)(=O)c2ccc(CC[NH3+])cc2)cc1 ZINC000044594328 183425216 /nfs/dbraw/zinc/42/52/16/183425216.db2.gz YWUVZQUFVLVHAT-UHFFFAOYSA-N 1 0 304.415 1.975 10 0 DDAERO CNC(=O)c1ccc(CN(C)C[C@@H]2C[C@H](OC)C[N@@H+]2C)cc1 ZINC000284834218 218198306 /nfs/dbraw/zinc/19/83/06/218198306.db2.gz PDLCETRRTWYQIR-HOTGVXAUSA-N 1 0 305.422 1.197 10 0 DDAERO CC[C@H]1CN(Cc2cn3cccnc3n2)CC[N@@H+]1CCOC ZINC000105836620 194141434 /nfs/dbraw/zinc/14/14/34/194141434.db2.gz QTNPZJDDYUVTNG-HNNXBMFYSA-N 1 0 303.410 1.272 10 0 DDAERO CC[C@H]1CN(Cc2nc(CC(C)C)no2)CC[N@@H+]1CCOC ZINC000105836654 194143206 /nfs/dbraw/zinc/14/32/06/194143206.db2.gz VXOABSATKYPRFZ-AWEZNQCLSA-N 1 0 310.442 1.811 10 0 DDAERO Cc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000105871818 194151402 /nfs/dbraw/zinc/15/14/02/194151402.db2.gz CDMNZAUUKWUKIC-UKRRQHHQSA-N 1 0 313.405 1.196 10 0 DDAERO CCc1cccc(C)c1NC(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000105925101 194171632 /nfs/dbraw/zinc/17/16/32/194171632.db2.gz AASRXJSZEMXBTM-MRXNPFEDSA-N 1 0 319.449 1.758 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C[C@H](O)c2cc(F)ccc2F)CCO1 ZINC000105904468 194166355 /nfs/dbraw/zinc/16/63/55/194166355.db2.gz GRHBVDOCYCUHLL-DOMZBBRYSA-N 1 0 300.349 1.261 10 0 DDAERO CCCCCNC(=O)C[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000105920032 194171152 /nfs/dbraw/zinc/17/11/52/194171152.db2.gz RXHXRPQKZLQXSZ-MRXNPFEDSA-N 1 0 321.469 1.913 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(C(=O)/C=C/c2cncc(F)c2)CC1 ZINC000106397694 194205539 /nfs/dbraw/zinc/20/55/39/194205539.db2.gz NRMMHLZPVOEUQI-BWPKMQGJSA-N 1 0 307.369 1.149 10 0 DDAERO CN(C[C@H]1CCCCO1)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000048949917 183698557 /nfs/dbraw/zinc/69/85/57/183698557.db2.gz QVGYDLYISJYJGR-OAHLLOKOSA-N 1 0 312.435 1.476 10 0 DDAERO [NH3+]Cc1nccn1CC(=O)Nc1ccc(Br)cc1 ZINC000051004153 183810430 /nfs/dbraw/zinc/81/04/30/183810430.db2.gz FXGMYLQGHXFSFS-UHFFFAOYSA-N 1 0 309.167 1.743 10 0 DDAERO C[C@H](C(N)=S)[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000109468603 194266420 /nfs/dbraw/zinc/26/64/20/194266420.db2.gz PPMFPTMKKUEOJH-GFCCVEGCSA-N 1 0 303.435 1.127 10 0 DDAERO CC[C@H](C[NH3+])N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000109450956 194264986 /nfs/dbraw/zinc/26/49/86/194264986.db2.gz QUABNGLYWLBZJR-CQSZACIVSA-N 1 0 311.451 1.039 10 0 DDAERO CCCOCCC(=O)N1CC[NH+]([C@@H](CCC)C(N)=S)CC1 ZINC000109464678 194265641 /nfs/dbraw/zinc/26/56/41/194265641.db2.gz DAQOZKBCWPUMFH-ZDUSSCGKSA-N 1 0 315.483 1.402 10 0 DDAERO COCC[N@H+](C)CCNc1cc(OC(F)F)c(F)cc1N ZINC000110641182 194345196 /nfs/dbraw/zinc/34/51/96/194345196.db2.gz YWSJLQBFUNJCDA-UHFFFAOYSA-N 1 0 307.316 1.999 10 0 DDAERO CCC[C@@H](C(N)=S)[NH+]1CCN(c2cccc(OC)n2)CC1 ZINC000110542008 194337814 /nfs/dbraw/zinc/33/78/14/194337814.db2.gz XTCBJUWXEVEOAP-LBPRGKRZSA-N 1 0 308.451 1.667 10 0 DDAERO CCC[NH2+][C@H]1CCCc2nc(N3CCNC(=O)[C@@H]3C)sc21 ZINC000110664276 194348328 /nfs/dbraw/zinc/34/83/28/194348328.db2.gz NHPGJGOAUZLEJV-QWRGUYRKSA-N 1 0 308.451 1.845 10 0 DDAERO CN(CC[NH3+])Cc1nnc(-c2ccc(Br)s2)o1 ZINC000054418376 183939184 /nfs/dbraw/zinc/93/91/84/183939184.db2.gz SZRCDJJPJQOCEK-UHFFFAOYSA-N 1 0 317.212 1.951 10 0 DDAERO CCN[C@@](C)(CCCC[N@H+](C)CCN(C)C)C(=O)OCC ZINC000111144625 194395697 /nfs/dbraw/zinc/39/56/97/194395697.db2.gz DJJHXAIXCZNXHW-INIZCTEOSA-N 1 0 301.475 1.581 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cnccc1Cl ZINC000059818191 184141195 /nfs/dbraw/zinc/14/11/95/184141195.db2.gz XIOPSANMDWNOAT-SNVBAGLBSA-N 1 0 303.815 1.498 10 0 DDAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)Nc1cc(F)c(F)cc1F ZINC000061094744 184161973 /nfs/dbraw/zinc/16/19/73/184161973.db2.gz DVVYKIGOKNHUQD-QMMMGPOBSA-N 1 0 308.325 1.845 10 0 DDAERO CC[NH2+]C[C@H](C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000061267473 184167045 /nfs/dbraw/zinc/16/70/45/184167045.db2.gz FAJYAPJKHBAWQZ-RYUDHWBXSA-N 1 0 312.435 1.513 10 0 DDAERO O=C(CN1CCC[NH2+]CC1)N[C@@H]1CCSc2ccccc21 ZINC000061270123 184167191 /nfs/dbraw/zinc/16/71/91/184167191.db2.gz SMYNNDXGCHUVHP-CQSZACIVSA-N 1 0 305.447 1.635 10 0 DDAERO Clc1nc(N[C@@H]2C[NH+]3CCC2CC3)nc(N2CCCC2)n1 ZINC000061536717 184172576 /nfs/dbraw/zinc/17/25/76/184172576.db2.gz JEYHHPJRGQDOHS-LLVKDONJSA-N 1 0 308.817 1.631 10 0 DDAERO CC(C)[C@@H](C[NH+](C)C)Nc1nc(Cl)nc(-n2ccnc2)n1 ZINC000061539291 184173667 /nfs/dbraw/zinc/17/36/67/184173667.db2.gz YPLPVFSEORPAFH-SNVBAGLBSA-N 1 0 309.805 1.709 10 0 DDAERO Clc1nc(NCC[NH+]2CCCCC2)nc(-n2cncn2)n1 ZINC000061539594 184173809 /nfs/dbraw/zinc/17/38/09/184173809.db2.gz FTDDKITVCSPGTQ-UHFFFAOYSA-N 1 0 308.777 1.004 10 0 DDAERO CCn1c(S[C@@H](c2ccc(OC)cc2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594200 184176205 /nfs/dbraw/zinc/17/62/05/184176205.db2.gz YCDIZZKFDDRWKI-BXKDBHETSA-N 1 0 308.407 1.781 10 0 DDAERO COc1ccc([C@@H](C[NH3+])Sc2n[nH]c(=O)n2C(C)C)cc1 ZINC000061595188 184176653 /nfs/dbraw/zinc/17/66/53/184176653.db2.gz JBEUWHLLGKPGSA-GFCCVEGCSA-N 1 0 308.407 1.953 10 0 DDAERO CN(C(=O)[C@@H](C(N)=S)c1ccccc1)C1CC[NH+](C)CC1 ZINC000061615776 184178726 /nfs/dbraw/zinc/17/87/26/184178726.db2.gz UFZLFVYCZQBUSP-CQSZACIVSA-N 1 0 305.447 1.609 10 0 DDAERO CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCCOCC2)c1 ZINC000061936063 184197044 /nfs/dbraw/zinc/19/70/44/184197044.db2.gz CBTJKMCMUWYWNH-ZDUSSCGKSA-N 1 0 312.435 1.768 10 0 DDAERO COCCC[N@H+](C)CCC(=O)Nc1ccc(C(N)=S)cc1 ZINC000062031573 184202463 /nfs/dbraw/zinc/20/24/63/184202463.db2.gz YEZFISJVLMDFTF-UHFFFAOYSA-N 1 0 309.435 1.618 10 0 DDAERO CC[C@@H]([NH3+])[C@@H](c1cccs1)N1CCN(S(C)(=O)=O)CC1 ZINC000062081946 184205018 /nfs/dbraw/zinc/20/50/18/184205018.db2.gz WVMFBNDCVFLBLP-YPMHNXCESA-N 1 0 317.480 1.104 10 0 DDAERO CC[NH2+][C@@H]1CCCCCC[C@H]1N1CCN(S(C)(=O)=O)CC1 ZINC000062083968 184205040 /nfs/dbraw/zinc/20/50/40/184205040.db2.gz WPDAVLZSSGWWKI-HUUCEWRRSA-N 1 0 317.499 1.265 10 0 DDAERO CCC[NH2+][C@@H]1CCCc2nc(N3CCNC(=O)CC3)sc21 ZINC000062101914 184205848 /nfs/dbraw/zinc/20/58/48/184205848.db2.gz MNYGTHWKHUNYPI-LLVKDONJSA-N 1 0 308.451 1.846 10 0 DDAERO [NH3+]C[C@H](c1ccccc1Br)N1CCNC(=O)CC1 ZINC000062099509 184205900 /nfs/dbraw/zinc/20/59/00/184205900.db2.gz CWZHDVKYQIHILO-GFCCVEGCSA-N 1 0 312.211 1.271 10 0 DDAERO CNS(=O)(=O)NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000062370556 184233429 /nfs/dbraw/zinc/23/34/29/184233429.db2.gz CQOBGQMWHACSLD-CYBMUJFWSA-N 1 0 301.387 1.016 10 0 DDAERO COCC[NH2+]Cc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000062730989 184251402 /nfs/dbraw/zinc/25/14/02/184251402.db2.gz JXRMWXFXMYHKHD-UHFFFAOYSA-N 1 0 321.826 1.499 10 0 DDAERO C[C@@H]1CN[C@H](C(=O)Nc2cccc(OC(F)(F)F)c2)C[NH2+]1 ZINC000062814248 184253902 /nfs/dbraw/zinc/25/39/02/184253902.db2.gz HWTDLWSFKYEQLL-KCJUWKMLSA-N 1 0 303.284 1.474 10 0 DDAERO CCC[C@@]1(C(=O)N(CCOC)[C@@H]2CCSC2)CC[NH2+]C1 ZINC000062895368 184258867 /nfs/dbraw/zinc/25/88/67/184258867.db2.gz CFXVLFXGAYUEET-UKRRQHHQSA-N 1 0 300.468 1.747 10 0 DDAERO C[C@@]1(C(=O)Nc2cccc(Cl)c2-n2cncn2)CC[NH2+]C1 ZINC000062893190 184258943 /nfs/dbraw/zinc/25/89/43/184258943.db2.gz ABLFHZOFZFZWJQ-CQSZACIVSA-N 1 0 305.769 1.859 10 0 DDAERO CC[C@@]1(C(=O)N[C@H](CC(=O)OC)c2cccs2)CC[NH2+]C1 ZINC000062893160 184258993 /nfs/dbraw/zinc/25/89/93/184258993.db2.gz RTCIZVXZZMRUEZ-IAQYHMDHSA-N 1 0 310.419 1.858 10 0 DDAERO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)N(C)Cc1ccccc1 ZINC000063194051 184277603 /nfs/dbraw/zinc/27/76/03/184277603.db2.gz TVBHQJMOTLPFAB-UKRRQHHQSA-N 1 0 311.451 1.565 10 0 DDAERO C[C@H](C(=O)Nc1ccc(Cl)c(N)c1)N1CC[C@H]([NH+](C)C)C1 ZINC000062963814 184262773 /nfs/dbraw/zinc/26/27/73/184262773.db2.gz VKXGNULVKWQSSY-PWSUYJOCSA-N 1 0 310.829 1.885 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(N)ccc2Br)C1 ZINC000062964363 184262777 /nfs/dbraw/zinc/26/27/77/184262777.db2.gz BHHQMLQXGQAPKX-SNVBAGLBSA-N 1 0 312.211 1.807 10 0 DDAERO C[NH+](C)[C@@H]1CCN(CCC(=O)Nc2ccc(N)cc2Cl)C1 ZINC000062963725 184263099 /nfs/dbraw/zinc/26/30/99/184263099.db2.gz YUDVYCREGMMIIW-GFCCVEGCSA-N 1 0 310.829 1.887 10 0 DDAERO C[NH+](C)[C@@H]1CCN(CCC(=O)Nc2ccc(Cl)cc2N)C1 ZINC000062963803 184263246 /nfs/dbraw/zinc/26/32/46/184263246.db2.gz KZJZUEYOEFBNLL-GFCCVEGCSA-N 1 0 310.829 1.887 10 0 DDAERO Cc1ccc(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)c(N)c1 ZINC000063120271 184271596 /nfs/dbraw/zinc/27/15/96/184271596.db2.gz JRPIDGKGVAUAJP-UHFFFAOYSA-N 1 0 311.451 1.540 10 0 DDAERO CN(CC1CC[NH+](C)CC1)C(=O)c1cc(Cl)nc(NN)c1 ZINC000063125853 184271700 /nfs/dbraw/zinc/27/17/00/184271700.db2.gz MGDOZHKGWCBVIQ-UHFFFAOYSA-N 1 0 311.817 1.434 10 0 DDAERO CCOCCS(=O)(=O)N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000063154274 184274226 /nfs/dbraw/zinc/27/42/26/184274226.db2.gz YSHXEPHEHDSCIX-ZDUSSCGKSA-N 1 0 304.456 1.397 10 0 DDAERO CC[C@H](C)[NH2+]CC(=O)Nc1cccc(C(=O)NCCCOC)c1 ZINC000066068189 184386213 /nfs/dbraw/zinc/38/62/13/184386213.db2.gz NJRYLPXXFKTJAL-ZDUSSCGKSA-N 1 0 321.421 1.780 10 0 DDAERO CCCCNC(=O)c1cccc(NC(=O)C[NH2+]CCCOC)c1 ZINC000066068350 184386486 /nfs/dbraw/zinc/38/64/86/184386486.db2.gz KZWYVIASZSGAIQ-UHFFFAOYSA-N 1 0 321.421 1.781 10 0 DDAERO CCOC(=O)[C@](C[N@H+](CC)CCOC)(NC(C)C)C1CC1 ZINC000069132259 184499931 /nfs/dbraw/zinc/49/99/31/184499931.db2.gz YNOAZXFFQTWQJW-MRXNPFEDSA-N 1 0 300.443 1.665 10 0 DDAERO CSC[C@@H](C)C[NH2+]C[C@@H](O)COCCc1scnc1C ZINC000069447496 184515327 /nfs/dbraw/zinc/51/53/27/184515327.db2.gz SNZLMGXHTFSYEZ-WCQYABFASA-N 1 0 318.508 1.960 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)c2cc3c(s2)CCOC3)CCO1 ZINC000116788726 194769561 /nfs/dbraw/zinc/76/95/61/194769561.db2.gz NBGQHHRRUVRNOX-LBPRGKRZSA-N 1 0 310.419 1.223 10 0 DDAERO Cc1cnn(CCNC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000118065721 194866185 /nfs/dbraw/zinc/86/61/85/194866185.db2.gz FFJPEUKQNNGZFK-OFQRWUPVSA-N 1 0 321.469 1.857 10 0 DDAERO CN(C(=O)NC(C)(C)C)C1CC[NH+](CCn2cccn2)CC1 ZINC000157265962 197175719 /nfs/dbraw/zinc/17/57/19/197175719.db2.gz NAEPQHCEFWUERR-UHFFFAOYSA-N 1 0 307.442 1.787 10 0 DDAERO COc1ccc(CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1OC ZINC000120639000 195205809 /nfs/dbraw/zinc/20/58/09/195205809.db2.gz VZUKDYFVBMFEMB-UONOGXRCSA-N 1 0 308.422 1.591 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)N1CCCCCC1 ZINC000175400084 285274682 /nfs/dbraw/zinc/27/46/82/285274682.db2.gz KMPUASYSEWETOK-AWEZNQCLSA-N 1 0 303.472 1.523 10 0 DDAERO CC[C@H]1CN(Cc2c(C)nn(C)c2OC)CC[N@@H+]1C[C@@H](C)O ZINC000120733831 195226199 /nfs/dbraw/zinc/22/61/99/195226199.db2.gz ZRMNXVJTZUIEKS-OCCSQVGLSA-N 1 0 310.442 1.014 10 0 DDAERO COCCOc1ccccc1CN1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000120837566 195248186 /nfs/dbraw/zinc/24/81/86/195248186.db2.gz CQSUKZLPYQSXQX-INIZCTEOSA-N 1 0 322.449 1.864 10 0 DDAERO OCc1cc2ccccc2nc1NC[C@H](O)C[NH+]1CCCCC1 ZINC000174684192 285298774 /nfs/dbraw/zinc/29/87/74/285298774.db2.gz NKVXWBYKJYRJKX-INIZCTEOSA-N 1 0 315.417 1.986 10 0 DDAERO Cc1nn(C)cc1CN1CC[C@H]2OCC[N@H+](CC3CC3)[C@@H]2C1 ZINC000248100576 257109261 /nfs/dbraw/zinc/10/92/61/257109261.db2.gz DQYDOOKSKCJIIO-IAGOWNOFSA-N 1 0 304.438 1.414 10 0 DDAERO c1cc(COC[C@@]23COC[C@@H]2C[N@@H+](C2CCOCC2)C3)ccn1 ZINC000247843121 257116181 /nfs/dbraw/zinc/11/61/81/257116181.db2.gz LNQRSHWJNZQMDN-WMZOPIPTSA-N 1 0 318.417 1.726 10 0 DDAERO COCCNC(=O)[C@@H]1C[N@H+](Cc2cccs2)C[C@@H]2OCC[C@@H]21 ZINC000247816015 257117276 /nfs/dbraw/zinc/11/72/76/257117276.db2.gz BDAZUQUWOGFPIL-KFWWJZLASA-N 1 0 324.446 1.348 10 0 DDAERO COCC[N@@H+]1C[C@@H]2OC[C@@H](CC(=O)NCc3cccs3)[C@@H]2C1 ZINC000247829336 257117380 /nfs/dbraw/zinc/11/73/80/257117380.db2.gz HBBBLDPALBUBSH-SNPRPXQTSA-N 1 0 324.446 1.348 10 0 DDAERO O=C(NCc1ccco1)[C@]12CCO[C@H]1CC[N@@H+](C1CCC1)C2 ZINC000247525209 257118870 /nfs/dbraw/zinc/11/88/70/257118870.db2.gz ZABNLQLGFHXLPW-RDJZCZTQSA-N 1 0 304.390 1.929 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC000123527851 195592333 /nfs/dbraw/zinc/59/23/33/195592333.db2.gz WMABXIWAIWDUPX-KRWDZBQOSA-N 1 0 305.422 1.534 10 0 DDAERO CC(C)C(=O)Nc1ccc2c(c1)N(CC[NH+](C)C)C(=O)[C@H](C)O2 ZINC000012118674 134501257 /nfs/dbraw/zinc/50/12/57/134501257.db2.gz ITAMHJSZLRSKPT-LBPRGKRZSA-N 1 0 319.405 1.957 10 0 DDAERO Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1N(C)C ZINC000237071982 292184553 /nfs/dbraw/zinc/18/45/53/292184553.db2.gz HQNJXVGSGKJVRF-OCCSQVGLSA-N 1 0 311.451 1.467 10 0 DDAERO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCC[S@](=O)C(C)(C)C)C1(C)C ZINC000249049374 286306689 /nfs/dbraw/zinc/30/66/89/286306689.db2.gz AIMIQJPLSQXLFC-OGXQQIFESA-N 1 0 318.483 1.182 10 0 DDAERO Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000223338481 407568204 /nfs/dbraw/zinc/56/82/04/407568204.db2.gz DQZGBGLZCXHVCB-KGLIPLIRSA-N 1 0 317.414 1.458 10 0 DDAERO [NH3+][C@H]1CCN(c2ncccc2-c2nc(-c3ccncc3)no2)C1 ZINC000070458051 406817176 /nfs/dbraw/zinc/81/71/76/406817176.db2.gz CDXHCJGNCGYBRZ-LBPRGKRZSA-N 1 0 308.345 1.731 10 0 DDAERO Cc1ccc([C@@H](C)NC(=O)NC2CCN(CC[NH+](C)C)CC2)o1 ZINC000079267366 407052625 /nfs/dbraw/zinc/05/26/25/407052625.db2.gz QEZOHEPLZNRXFY-CQSZACIVSA-N 1 0 322.453 1.974 10 0 DDAERO CC[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cnn(C)c1 ZINC000089733252 407145673 /nfs/dbraw/zinc/14/56/73/407145673.db2.gz OCMVFUGVXHALBD-HUUCEWRRSA-N 1 0 300.410 1.920 10 0 DDAERO C[C@H](NC(=O)[C@H](C)N1CCCN(C(N)=O)CC1)c1ccccc1 ZINC000102180199 407320216 /nfs/dbraw/zinc/32/02/16/407320216.db2.gz XXFHSYRZYRWSFR-KBPBESRZSA-N 1 0 318.421 1.339 10 0 DDAERO [NH3+]C[C@@H]1CCCN1CC(=O)Nc1ccc(Br)cn1 ZINC000123447780 407328907 /nfs/dbraw/zinc/32/89/07/407328907.db2.gz IELKZZNIDNYECY-JTQLQIEISA-N 1 0 313.199 1.206 10 0 DDAERO CC[C@@](C)(O)C[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000123454482 407329621 /nfs/dbraw/zinc/32/96/21/407329621.db2.gz GSOPBINADICBCJ-QGZVFWFLSA-N 1 0 308.397 1.673 10 0 DDAERO CC[C@](C)(O)C[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000123566663 407332832 /nfs/dbraw/zinc/33/28/32/407332832.db2.gz FTMICFPOMQXPGJ-AEFFLSMTSA-N 1 0 322.449 1.205 10 0 DDAERO CC[C@@H]1C[N@H+](C[C@](C)(O)c2ccccc2)CCN1C[C@@H](C)O ZINC000105827827 407355493 /nfs/dbraw/zinc/35/54/93/407355493.db2.gz NQXQABMDMLNCEL-NXHRZFHOSA-N 1 0 306.450 1.671 10 0 DDAERO CCOC(=O)c1ccc(CN2CC[NH+](C[C@H](O)CC)CC2)o1 ZINC000123603874 407334153 /nfs/dbraw/zinc/33/41/53/407334153.db2.gz HWJFBTLCXBEQHC-CYBMUJFWSA-N 1 0 310.394 1.345 10 0 DDAERO Cn1cc([C@H]2CCCN2C(=O)NC[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000108590876 407389175 /nfs/dbraw/zinc/38/91/75/407389175.db2.gz RXRFDWABPAMBDR-DZGCQCFKSA-N 1 0 305.426 1.608 10 0 DDAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(C(N)=O)cs2)C12CCOCC2 ZINC000185655523 407469501 /nfs/dbraw/zinc/46/95/01/407469501.db2.gz RTHZWDCPPWJORM-KGLIPLIRSA-N 1 0 324.446 1.911 10 0 DDAERO COc1cccc(OCC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000113231052 407478072 /nfs/dbraw/zinc/47/80/72/407478072.db2.gz BWKDRVMISFTAEU-ZIAGYGMSSA-N 1 0 304.390 1.769 10 0 DDAERO CC(=O)N1CCC2(C[C@H](c3nnc(C)o3)N(CCCO)C2)CC1 ZINC000257191859 407487144 /nfs/dbraw/zinc/48/71/44/407487144.db2.gz RORZFHCIYFNSLX-CQSZACIVSA-N 1 0 322.409 1.136 10 0 DDAERO Cn1cc(CN2CCO[C@@H](C[NH+](C)C)C2)c(-c2cccnc2)n1 ZINC000128080021 407494154 /nfs/dbraw/zinc/49/41/54/407494154.db2.gz ULOSZTXOFDCAJS-INIZCTEOSA-N 1 0 315.421 1.245 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(F)cc(F)c1 ZINC000113305347 407495084 /nfs/dbraw/zinc/49/50/84/407495084.db2.gz QRTSVGILKOEJEW-ZWNOBZJWSA-N 1 0 316.373 1.822 10 0 DDAERO CCc1nc2n(n1)CCC[C@H]2NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185531951 407449750 /nfs/dbraw/zinc/44/97/50/407449750.db2.gz PBFCPKUWLPANJO-CYBMUJFWSA-N 1 0 320.441 1.411 10 0 DDAERO CCS(=O)(=O)c1c(Cl)cccc1CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000261679610 407577333 /nfs/dbraw/zinc/57/73/33/407577333.db2.gz AFBBLQXXBHDPMA-GXFFZTMASA-N 1 0 316.854 1.913 10 0 DDAERO Cc1csc2nc(CN3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cc(=O)n12 ZINC000261700335 407584387 /nfs/dbraw/zinc/58/43/87/407584387.db2.gz ODUGWSNXBBFCTD-UHTWSYAYSA-N 1 0 304.419 1.234 10 0 DDAERO CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261705271 407587878 /nfs/dbraw/zinc/58/78/78/407587878.db2.gz IJTHSGGMJBURTJ-RBSFLKMASA-N 1 0 312.454 1.698 10 0 DDAERO Cn1c(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)nc2ccccc21 ZINC000170826712 407518720 /nfs/dbraw/zinc/51/87/20/407518720.db2.gz DKRJGPQLGAGROI-GFCCVEGCSA-N 1 0 301.394 1.419 10 0 DDAERO CCC[C@@H](C(=O)N[C@@H](C)C(=O)NCc1ccccc1)[NH+](C)C ZINC000178652382 407531513 /nfs/dbraw/zinc/53/15/13/407531513.db2.gz LDKAFBARETVJLS-ZFWWWQNUSA-N 1 0 305.422 1.538 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc3oc(=O)ccc3c2)C1 ZINC000170874640 407541312 /nfs/dbraw/zinc/54/13/12/407541312.db2.gz VOOGPBGQYKEPBM-ZDUSSCGKSA-N 1 0 301.346 1.961 10 0 DDAERO CN(CC(=O)Nc1cccc(Cl)c1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000152024672 407546061 /nfs/dbraw/zinc/54/60/61/407546061.db2.gz ZJYJFSZUTNGZFG-PWSUYJOCSA-N 1 0 309.797 1.864 10 0 DDAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCc1nc(-c2ccccc2)no1 ZINC000114206122 407549815 /nfs/dbraw/zinc/54/98/15/407549815.db2.gz LIHHSDWGJWGUAR-CQSZACIVSA-N 1 0 314.389 1.832 10 0 DDAERO O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178792943 407603673 /nfs/dbraw/zinc/60/36/73/407603673.db2.gz UTXCXAOVWJNBBY-BARDWOONSA-N 1 0 305.422 1.434 10 0 DDAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C(N)=O)c2)C12CCOCC2 ZINC000186224723 407612890 /nfs/dbraw/zinc/61/28/90/407612890.db2.gz JMTSGUMRXAUZDD-JKSUJKDBSA-N 1 0 318.417 1.849 10 0 DDAERO Cc1nsc(N2CCN(C(=O)[C@H]3CCC[C@H]([NH3+])C3)CC2)n1 ZINC000178820187 407613522 /nfs/dbraw/zinc/61/35/22/407613522.db2.gz HIUCIRCTKOCADV-RYUDHWBXSA-N 1 0 309.439 1.013 10 0 DDAERO Cn1c(CN2CC[NH2+]C[C@H]2c2cccc(F)c2)nnc1C1CC1 ZINC000261787702 407615662 /nfs/dbraw/zinc/61/56/62/407615662.db2.gz PVVNBCCKORNGRB-HNNXBMFYSA-N 1 0 315.396 1.978 10 0 DDAERO COCCOc1cc(NC(=O)C2([NH3+])CCOCC2)ccc1OC ZINC000261786998 407615713 /nfs/dbraw/zinc/61/57/13/407615713.db2.gz HVQJQEMQTKQMQM-UHFFFAOYSA-N 1 0 324.377 1.167 10 0 DDAERO CC[N@H+](CC(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1)C1CC1 ZINC000152433927 407632851 /nfs/dbraw/zinc/63/28/51/407632851.db2.gz LUOWKCVKNMHQRE-INIZCTEOSA-N 1 0 320.437 1.212 10 0 DDAERO CN(C(=O)[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000261731245 407595193 /nfs/dbraw/zinc/59/51/93/407595193.db2.gz KGBASNZXUJHVNV-HZPDHXFCSA-N 1 0 301.434 1.971 10 0 DDAERO CCc1nnc(CN(C)CC(C)(C)C[NH+]2CCOCC2)n1C ZINC000178937983 407666858 /nfs/dbraw/zinc/66/68/58/407666858.db2.gz LQLCTJLGBGBQNO-UHFFFAOYSA-N 1 0 309.458 1.168 10 0 DDAERO [NH3+]C1(C(=O)N2CCO[C@@H](c3ccccc3F)C2)CCOCC1 ZINC000261921274 407671097 /nfs/dbraw/zinc/67/10/97/407671097.db2.gz VBTABUWIMSAHOO-CQSZACIVSA-N 1 0 308.353 1.234 10 0 DDAERO C[C@@H]1CN(C(=O)C2([NH3+])CCOCC2)C[C@@H](c2ccccc2)O1 ZINC000261934958 407678222 /nfs/dbraw/zinc/67/82/22/407678222.db2.gz WSEYRNCQBYNORX-HIFRSBDPSA-N 1 0 304.390 1.483 10 0 DDAERO CCS[C@@H](C)c1noc(CN2CCO[C@H](C[NH+](C)C)C2)n1 ZINC000130367779 407679564 /nfs/dbraw/zinc/67/95/64/407679564.db2.gz WEOROIBCHFSWQU-NWDGAFQWSA-N 1 0 314.455 1.646 10 0 DDAERO CCS[C@@H]1CC[C@H](N(C)C(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000261951774 407687410 /nfs/dbraw/zinc/68/74/10/407687410.db2.gz KDKZSFXYJSMUJU-BFHYXJOUSA-N 1 0 300.468 1.873 10 0 DDAERO COCCN1CCN(C(=O)Nc2cccc(N(C)C)n2)C[C@H]1C ZINC000152832369 407696819 /nfs/dbraw/zinc/69/68/19/407696819.db2.gz XWAFIGIIGJKAFD-CYBMUJFWSA-N 1 0 321.425 1.332 10 0 DDAERO COc1nc(N2CC[C@@](C)(C[NH3+])C2)ncc1Br ZINC000235027010 407717652 /nfs/dbraw/zinc/71/76/52/407717652.db2.gz DXVLRJJAHWIJLE-NSHDSACASA-N 1 0 301.188 1.423 10 0 DDAERO O[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171625503 407723557 /nfs/dbraw/zinc/72/35/57/407723557.db2.gz NVVAZVHAOOYREX-DLBZAZTESA-N 1 0 316.405 1.493 10 0 DDAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116431833 407753915 /nfs/dbraw/zinc/75/39/15/407753915.db2.gz GNJNAZJTTFSCPZ-HOCLYGCPSA-N 1 0 319.453 1.793 10 0 DDAERO CCCC(=O)N[C@@H]1CCCN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)C1 ZINC000236724262 407761803 /nfs/dbraw/zinc/76/18/03/407761803.db2.gz AARZEZQRAGNKCS-GDBMZVCRSA-N 1 0 323.481 1.920 10 0 DDAERO O=S(=O)(c1ccc(F)c(F)c1F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171770567 407765310 /nfs/dbraw/zinc/76/53/10/407765310.db2.gz HPAZALTZORBTAZ-SECBINFHSA-N 1 0 320.336 1.573 10 0 DDAERO Cc1ccc(O[C@H](C)C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000116784758 407775520 /nfs/dbraw/zinc/77/55/20/407775520.db2.gz IEVZZYJAPYDIHE-GDBMZVCRSA-N 1 0 306.406 1.551 10 0 DDAERO C[C@H](CNC(=O)C1(C[NH3+])CCOCC1)c1ccc(F)cc1F ZINC000262280276 407782630 /nfs/dbraw/zinc/78/26/30/407782630.db2.gz NVJZQLPWRYIFAY-LLVKDONJSA-N 1 0 312.360 1.940 10 0 DDAERO Cc1ccc(OCC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1C ZINC000116796441 407779475 /nfs/dbraw/zinc/77/94/75/407779475.db2.gz LHFZOZWOUHQUBU-MRXNPFEDSA-N 1 0 306.406 1.471 10 0 DDAERO Cc1cccc(O[C@@H](C)C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000116792547 407779746 /nfs/dbraw/zinc/77/97/46/407779746.db2.gz YRYCIVZRGXCYBA-GOEBONIOSA-N 1 0 306.406 1.551 10 0 DDAERO CNc1cc(N2CCC[C@H]2CNC(=O)NCCCF)ncn1 ZINC000153403033 407815399 /nfs/dbraw/zinc/81/53/99/407815399.db2.gz QZKSBHGRBDNDMG-NSHDSACASA-N 1 0 310.377 1.146 10 0 DDAERO COc1ccc(C)cc1NC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000262396841 407824630 /nfs/dbraw/zinc/82/46/30/407824630.db2.gz BZGFUKBVQHCCQG-BFHYXJOUSA-N 1 0 303.406 1.611 10 0 DDAERO CC[C@H]1CN(C(=O)NC2CCC(O)CC2)CC[N@@H+]1CCOC ZINC000117467757 407837245 /nfs/dbraw/zinc/83/72/45/407837245.db2.gz WUSRWUNUDDORJW-SLTAFYQDSA-N 1 0 313.442 1.042 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000117477560 407838914 /nfs/dbraw/zinc/83/89/14/407838914.db2.gz RTZSRKGTHCREIE-LSDHHAIUSA-N 1 0 314.474 1.079 10 0 DDAERO C[C@H](O)C1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000262527208 407855784 /nfs/dbraw/zinc/85/57/84/407855784.db2.gz PAPHPMOQYHOGSW-ZCTGUTNYSA-N 1 0 310.438 1.138 10 0 DDAERO CC[C@H]1CN([C@H](C(=O)OC)c2ccccc2)CC[N@@H+]1CCOC ZINC000117880078 407866132 /nfs/dbraw/zinc/86/61/32/407866132.db2.gz FTGSCBMSBGHRDL-IRXDYDNUSA-N 1 0 320.433 1.943 10 0 DDAERO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)C1 ZINC000262564036 407869344 /nfs/dbraw/zinc/86/93/44/407869344.db2.gz BDSXCHQNPAKAGR-RDBSUJKOSA-N 1 0 318.421 1.782 10 0 DDAERO O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000262620649 407883820 /nfs/dbraw/zinc/88/38/20/407883820.db2.gz IMQHBSUNYQGZOZ-LDYMZIIASA-N 1 0 303.189 1.753 10 0 DDAERO COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)s1 ZINC000180501736 407894754 /nfs/dbraw/zinc/89/47/54/407894754.db2.gz SMPYHWWNCANKKU-WCQYABFASA-N 1 0 313.467 1.622 10 0 DDAERO C[C@H]1CC[C@@H](C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)O1 ZINC000153811317 407908064 /nfs/dbraw/zinc/90/80/64/407908064.db2.gz OPJQRSUHXFQBOG-HOCLYGCPSA-N 1 0 309.454 1.040 10 0 DDAERO COCc1cccc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000118800968 407946329 /nfs/dbraw/zinc/94/63/29/407946329.db2.gz RBJPPGAZRKYUFB-OAHLLOKOSA-N 1 0 307.394 1.627 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)CSC[C@H]2CCCCO2)C1 ZINC000245402596 407961981 /nfs/dbraw/zinc/96/19/81/407961981.db2.gz IPZKMDHRYYKQIV-ZIAGYGMSSA-N 1 0 300.468 1.889 10 0 DDAERO COC[C@@H](C)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188169333 407921781 /nfs/dbraw/zinc/92/17/81/407921781.db2.gz UTWGSMQVGGTCCC-CRAIPNDOSA-N 1 0 320.433 1.364 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC[NH+](CC)C1 ZINC000174236302 407924390 /nfs/dbraw/zinc/92/43/90/407924390.db2.gz QZZHBGKDGZZNFD-BZUAXINKSA-N 1 0 308.470 1.739 10 0 DDAERO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000262799756 407937234 /nfs/dbraw/zinc/93/72/34/407937234.db2.gz VCKWCKXHQPUQOU-PRHODGIISA-N 1 0 306.790 1.898 10 0 DDAERO CN1CC[NH2+]C[C@H]1c1noc(CCOc2ccccc2F)n1 ZINC000263180835 408048482 /nfs/dbraw/zinc/04/84/82/408048482.db2.gz GSBVLMGPSXBHOX-LBPRGKRZSA-N 1 0 306.341 1.406 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3n[nH]cc3c2)C1 ZINC000174768561 407989272 /nfs/dbraw/zinc/98/92/72/407989272.db2.gz HQNQYXVPNBRAAI-CYBMUJFWSA-N 1 0 315.377 1.102 10 0 DDAERO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC(F)(F)CN1 ZINC000262977103 407990579 /nfs/dbraw/zinc/99/05/79/407990579.db2.gz MKAGRFKXCKLBLN-KBPBESRZSA-N 1 0 309.360 1.374 10 0 DDAERO CC(C)COC(=O)CN(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000181451748 407997994 /nfs/dbraw/zinc/99/79/94/407997994.db2.gz SQVLLKDBJYDQDZ-UHFFFAOYSA-N 1 0 322.453 1.479 10 0 DDAERO C[C@H]1C[N@H+](Cc2c[nH]nc2C(C)(C)C)C[C@H]1N1CCOCC1 ZINC000245735315 408058554 /nfs/dbraw/zinc/05/85/54/408058554.db2.gz KPFCZDXSNYGFLL-DZGCQCFKSA-N 1 0 306.454 1.860 10 0 DDAERO COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1OC ZINC000245796762 408070367 /nfs/dbraw/zinc/07/03/67/408070367.db2.gz XCWLJEPBFNQYJI-GDBMZVCRSA-N 1 0 320.433 1.856 10 0 DDAERO CN1CC[NH2+]C[C@@H]1c1noc(COc2cccc(Cl)c2)n1 ZINC000263267862 408081386 /nfs/dbraw/zinc/08/13/86/408081386.db2.gz RUGALYZGXIOYGS-GFCCVEGCSA-N 1 0 308.769 1.878 10 0 DDAERO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCn2c(nnc2C2CC2)C1 ZINC000263267886 408082266 /nfs/dbraw/zinc/08/22/66/408082266.db2.gz RUPOBHHNJRMRSY-MLGOLLRUSA-N 1 0 303.410 1.405 10 0 DDAERO CC(=O)Nc1ccc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263269616 408084286 /nfs/dbraw/zinc/08/42/86/408084286.db2.gz RZZILVYGHLUYTJ-ZDUSSCGKSA-N 1 0 301.350 1.271 10 0 DDAERO CCOc1c(F)cccc1-c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263281140 408087740 /nfs/dbraw/zinc/08/77/40/408087740.db2.gz UGYOSCXVPOCDBS-LBPRGKRZSA-N 1 0 306.341 1.851 10 0 DDAERO O=C(NCc1ccc(COCC(F)(F)F)cc1)C1C[NH2+]C1 ZINC000263299962 408095864 /nfs/dbraw/zinc/09/58/64/408095864.db2.gz NELRSWMNYMHPRD-UHFFFAOYSA-N 1 0 302.296 1.601 10 0 DDAERO C[C@H]1CC[C@H](C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)O1 ZINC000245926685 408102798 /nfs/dbraw/zinc/10/27/98/408102798.db2.gz PTEVROPWIUQUGH-PQAIKRCPSA-N 1 0 321.465 1.323 10 0 DDAERO C[C@H](NC(=O)c1ccnc(OCC[NH+](C)C)c1)[C@@H]1CCCO1 ZINC000136402308 408103316 /nfs/dbraw/zinc/10/33/16/408103316.db2.gz AQCKYCNGYGVDBO-JSGCOSHPSA-N 1 0 307.394 1.319 10 0 DDAERO C[C@@H]1Cc2ccccc2N1CCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000246040371 408126333 /nfs/dbraw/zinc/12/63/33/408126333.db2.gz XRZNKCXNTQVVCH-GDBMZVCRSA-N 1 0 316.449 1.783 10 0 DDAERO CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000175420245 408127004 /nfs/dbraw/zinc/12/70/04/408127004.db2.gz OMUMZLZEPNIHKW-LBPRGKRZSA-N 1 0 313.442 1.890 10 0 DDAERO Cc1ccn(C)c(=O)c1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246088742 408137880 /nfs/dbraw/zinc/13/78/80/408137880.db2.gz JBMMYWJJKUGIQD-OLZOCXBDSA-N 1 0 306.410 1.544 10 0 DDAERO C[C@H](CN1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1)c1ccccc1 ZINC000263456530 408144537 /nfs/dbraw/zinc/14/45/37/408144537.db2.gz AXHBHZXXRUYTPW-GDBMZVCRSA-N 1 0 306.406 1.507 10 0 DDAERO Cc1ccc([C@@H](C)NCC(=O)N[C@H](C)C(=O)N2CCCCC2)o1 ZINC000182566420 408195805 /nfs/dbraw/zinc/19/58/05/408195805.db2.gz BCGMHFFVHBBHKJ-ZIAGYGMSSA-N 1 0 321.421 1.756 10 0 DDAERO CCC[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(=O)[O-] ZINC000263572214 408177798 /nfs/dbraw/zinc/17/77/98/408177798.db2.gz KPZJBKGJXTYEBN-HUUCEWRRSA-N 1 0 321.421 1.248 10 0 DDAERO Cn1cc(CN2CCC[N@H+](Cc3ccc(CO)cc3)CC2)cn1 ZINC000182754472 408239322 /nfs/dbraw/zinc/23/93/22/408239322.db2.gz KLBVIQPUTAYZQP-UHFFFAOYSA-N 1 0 314.433 1.620 10 0 DDAERO CS[C@@H](C)CC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000125631730 161880892 /nfs/dbraw/zinc/88/08/92/161880892.db2.gz BEOCZWUEOQEQJZ-STQMWFEESA-N 1 0 302.484 1.679 10 0 DDAERO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000246269790 408198570 /nfs/dbraw/zinc/19/85/70/408198570.db2.gz RUTYZTXGXIYVME-CVEARBPZSA-N 1 0 303.406 1.936 10 0 DDAERO C[NH+](C)C[C@@H](NC(=O)c1cc(C(N)=O)c[nH]1)c1ccccc1 ZINC000175804573 408211466 /nfs/dbraw/zinc/21/14/66/408211466.db2.gz WIQBTRJNIQLMTA-CQSZACIVSA-N 1 0 300.362 1.146 10 0 DDAERO Cn1nnc2cc(C(=O)N[C@H](C[NH+](C)C)c3ccccc3)cnc21 ZINC000182682353 408221483 /nfs/dbraw/zinc/22/14/83/408221483.db2.gz SWHUPUZJRXQURJ-OAHLLOKOSA-N 1 0 324.388 1.396 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(F)c1 ZINC000190341336 408222750 /nfs/dbraw/zinc/22/27/50/408222750.db2.gz AHVHYTNGJGMYSN-LSDHHAIUSA-N 1 0 319.380 1.849 10 0 DDAERO CCC[N@H+](C[C@@H](O)COC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000246346204 408227329 /nfs/dbraw/zinc/22/73/29/408227329.db2.gz WEDLEUAUBRSIDO-QWHCGFSZSA-N 1 0 307.456 1.062 10 0 DDAERO Cc1nc(C)c(S(=O)(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)s1 ZINC000246373572 408233115 /nfs/dbraw/zinc/23/31/15/408233115.db2.gz AIOKVVJJVDZABP-BXKDBHETSA-N 1 0 317.480 1.767 10 0 DDAERO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NC(C1CC1)C1CC1 ZINC000246738827 408330180 /nfs/dbraw/zinc/33/01/80/408330180.db2.gz GPDDPEYTIDATAW-CRAIPNDOSA-N 1 0 306.450 1.918 10 0 DDAERO O[C@@H](COC1CCOCC1)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246535231 408286030 /nfs/dbraw/zinc/28/60/30/408286030.db2.gz GFRNKWZAJGTPAN-RHSMWYFYSA-N 1 0 322.405 1.091 10 0 DDAERO O=C1[C@H](N2CC[N@@H+]3CCC[C@@H]3C2)CCN1c1c(F)cccc1F ZINC000176111038 408288230 /nfs/dbraw/zinc/28/82/30/408288230.db2.gz GCKWUVSXEUROAF-IUODEOHRSA-N 1 0 321.371 1.850 10 0 DDAERO CCOCCC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190604054 408288853 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O[C@H]1C[NH2+]C[C@@H]1CNCc1ccc(Br)cc1F ZINC000262123624 484263863 /nfs/dbraw/zinc/26/38/63/484263863.db2.gz MOYSFGPGDCMDCX-CABZTGNLSA-N 1 0 303.175 1.258 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000262137601 484264231 /nfs/dbraw/zinc/26/42/31/484264231.db2.gz MDTDVFWAYOUYID-XHSDSOJGSA-N 1 0 304.390 1.259 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)C1(c2cccc(Cl)c2)CCCC1 ZINC000262340415 484269320 /nfs/dbraw/zinc/26/93/20/484269320.db2.gz SYIUKUXQWBCDGQ-IUODEOHRSA-N 1 0 322.836 1.848 10 0 DDAERO CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000157824383 518569732 /nfs/dbraw/zinc/56/97/32/518569732.db2.gz BWPYRMPQDGVOKH-IJLUTSLNSA-N 1 0 313.467 1.178 10 0 DDAERO CC(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000157858488 519787208 /nfs/dbraw/zinc/78/72/08/519787208.db2.gz HRJXTQWBOQOATE-HIFRSBDPSA-N 1 0 324.446 1.726 10 0 DDAERO C[C@@H]1CN(c2ccc(S(=O)(=O)C(F)F)cc2)[C@@H](C)C[NH2+]1 ZINC000086471189 525068225 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CC[N@@H+]1CCC[C@@H](NC(=O)CC2CCC3(CC2)OCCO3)C1 ZINC000188298507 697556399 /nfs/dbraw/zinc/55/63/99/697556399.db2.gz VCDLRZJLOZIYOO-OAHLLOKOSA-N 1 0 310.438 1.910 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1[nH]nc2c1CCCC2 ZINC000188403192 697558465 /nfs/dbraw/zinc/55/84/65/697558465.db2.gz IXNYMIDXXAUMDJ-ZIAGYGMSSA-N 1 0 316.449 1.916 10 0 DDAERO COc1c(C[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c(C)nn1C ZINC000192689531 697636818 /nfs/dbraw/zinc/63/68/18/697636818.db2.gz NRCOCFJPGQPPDH-JTQLQIEISA-N 1 0 312.414 1.740 10 0 DDAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)NOCc1ccccc1 ZINC000192806131 697640040 /nfs/dbraw/zinc/64/00/40/697640040.db2.gz ABMPJVBMPINHLD-HNNXBMFYSA-N 1 0 307.394 1.264 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)C[C@@H]2CCCOC2)C[C@H]1CC ZINC000193285713 697658013 /nfs/dbraw/zinc/65/80/13/697658013.db2.gz MFFPCLJLMVCNBH-JKSUJKDBSA-N 1 0 312.454 1.762 10 0 DDAERO C[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)NC(=O)OC(C)(C)C ZINC000194489816 697711623 /nfs/dbraw/zinc/71/16/23/697711623.db2.gz OEZXHTDTAIBJQT-NEPJUHHUSA-N 1 0 314.430 1.245 10 0 DDAERO CC[C@H](NC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)OC ZINC000227614908 697770008 /nfs/dbraw/zinc/77/00/08/697770008.db2.gz YANQLWNCQHKQNM-NEPJUHHUSA-N 1 0 300.399 1.785 10 0 DDAERO O=S(=O)(c1ccc(NC[C@H]2COCC[NH2+]2)cc1)C(F)F ZINC000236145679 697795055 /nfs/dbraw/zinc/79/50/55/697795055.db2.gz LLWKFUQZVOEXKM-JTQLQIEISA-N 1 0 306.334 1.083 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](O)c2ccccc2C)C1 ZINC000246516850 698351087 /nfs/dbraw/zinc/35/10/87/698351087.db2.gz DNZMSSVHVOMACT-GDBMZVCRSA-N 1 0 305.422 1.812 10 0 DDAERO COC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000246802442 698355608 /nfs/dbraw/zinc/35/56/08/698355608.db2.gz DBBVJCUIMBGHOR-BFHYXJOUSA-N 1 0 313.442 1.602 10 0 DDAERO CCCCOC(=O)[C@@H](C)N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000246929497 698357287 /nfs/dbraw/zinc/35/72/87/698357287.db2.gz QIULIEMHAQWZBV-CABCVRRESA-N 1 0 300.443 1.761 10 0 DDAERO O=c1oc2cc(Cl)ccc2n1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247167125 698362477 /nfs/dbraw/zinc/36/24/77/698362477.db2.gz TVLNVCICCHMNQB-LBPRGKRZSA-N 1 0 307.781 1.985 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)C[C@@H](O)c2ccco2)C1 ZINC000247777204 698369514 /nfs/dbraw/zinc/36/95/14/698369514.db2.gz WZSVYEUOBUMUPH-HZSPNIEDSA-N 1 0 309.410 1.875 10 0 DDAERO C[C@@H]1CN(C(=O)C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)CCO1 ZINC000249563490 698394495 /nfs/dbraw/zinc/39/44/95/698394495.db2.gz MJLXLDYJKYGHNG-SNPRPXQTSA-N 1 0 324.446 1.003 10 0 DDAERO C[NH2+][C@@H](C)CNS(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000261618909 698429351 /nfs/dbraw/zinc/42/93/51/698429351.db2.gz BEIIYCWJZSVISM-VIFPVBQESA-N 1 0 310.341 1.733 10 0 DDAERO C[NH2+][C@H](C)CNC(=O)c1cc(OC)c(OC(F)F)c(OC)c1 ZINC000261620316 698429592 /nfs/dbraw/zinc/42/95/92/698429592.db2.gz BHIPECKLCSVEDR-MRVPVSSYSA-N 1 0 318.320 1.643 10 0 DDAERO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc(Br)cc1C ZINC000261671828 698431767 /nfs/dbraw/zinc/43/17/67/698431767.db2.gz GTVPSGXTDLLBPH-SECBINFHSA-N 1 0 321.240 1.644 10 0 DDAERO FC(F)(F)c1cccc(N2CCN([C@H]3CC[NH2+]C3)CC2)n1 ZINC000261738302 698435546 /nfs/dbraw/zinc/43/55/46/698435546.db2.gz RWEFGCKYZISTJA-NSHDSACASA-N 1 0 300.328 1.584 10 0 DDAERO [NH3+]C1(C(=O)N2CCC[C@@H](Cc3ccccc3)C2)CCOCC1 ZINC000261812033 698438918 /nfs/dbraw/zinc/43/89/18/698438918.db2.gz JPCNVXOPQLSCEN-INIZCTEOSA-N 1 0 302.418 1.976 10 0 DDAERO C[C@@H]([NH3+])CC(=O)Nc1ccccc1N1CCC(C(N)=O)CC1 ZINC000261840694 698440859 /nfs/dbraw/zinc/44/08/59/698440859.db2.gz NTNZLQAZBSWZKQ-LLVKDONJSA-N 1 0 304.394 1.064 10 0 DDAERO O=C(CC[C@@H]1CC[NH2+]C1)N1CCOC[C@@H]1Cc1ccccc1 ZINC000261848282 698441218 /nfs/dbraw/zinc/44/12/18/698441218.db2.gz MGWHHUHYNVQSQE-SJORKVTESA-N 1 0 302.418 1.846 10 0 DDAERO Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261961582 698447768 /nfs/dbraw/zinc/44/77/68/698447768.db2.gz PQBGHJBMCIZFDP-ZJPYXAASSA-N 1 0 304.434 1.775 10 0 DDAERO Cc1ccnc(N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000262126010 698455783 /nfs/dbraw/zinc/45/57/83/698455783.db2.gz LAQKTQKCLPSLNF-GJZGRUSLSA-N 1 0 302.422 1.475 10 0 DDAERO COc1ccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1OCC(N)=O ZINC000262325099 698464459 /nfs/dbraw/zinc/46/44/59/698464459.db2.gz WSXIRXVTFGFGMU-MNOVXSKESA-N 1 0 321.377 1.015 10 0 DDAERO CN(C(=O)c1cnn(C)c1Br)[C@@H]1CCC[NH2+]CC1 ZINC000379217922 699058818 /nfs/dbraw/zinc/05/88/18/699058818.db2.gz RCPLYRWITBFZJT-SECBINFHSA-N 1 0 315.215 1.397 10 0 DDAERO C[C@@H]1[C@H]([NH2+]C[C@@H]2CN(C)CCO2)CCN1Cc1ccccc1 ZINC000381071322 699063908 /nfs/dbraw/zinc/06/39/08/699063908.db2.gz PIZUOHKUTWIWKX-KBAYOESNSA-N 1 0 303.450 1.570 10 0 DDAERO CC(C)(C)OC(=O)N1C[C@@H](C[NH2+]Cc2ccncc2)[C@H](O)C1 ZINC000702836650 699233396 /nfs/dbraw/zinc/23/33/96/699233396.db2.gz HPIXCWDYGJOTJI-ZIAGYGMSSA-N 1 0 307.394 1.399 10 0 DDAERO C[C@H]1CN(c2ccc(S(=O)(=O)C(F)F)cc2)C[C@H]1C[NH3+] ZINC000708829283 699250799 /nfs/dbraw/zinc/25/07/99/699250799.db2.gz BGICQDMWNJJDQS-VHSXEESVSA-N 1 0 304.362 1.714 10 0 DDAERO C[C@@H]1CN(C(=O)c2cc(Br)cnc2F)C[C@H]1C[NH3+] ZINC000708859248 699250971 /nfs/dbraw/zinc/25/09/71/699250971.db2.gz VOXHXKPIIBFFSZ-HTQZYQBOSA-N 1 0 316.174 1.650 10 0 DDAERO Cc1nc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)[nH]c1C ZINC000709006913 699251289 /nfs/dbraw/zinc/25/12/89/699251289.db2.gz XEBOHJHZSQZPGY-STQMWFEESA-N 1 0 324.425 1.344 10 0 DDAERO COc1ncc(Cl)c(N2CCc3sc(C[NH3+])nc3C2)n1 ZINC000710138210 699253601 /nfs/dbraw/zinc/25/36/01/699253601.db2.gz KXGNKYQGVRMQFT-UHFFFAOYSA-N 1 0 311.798 1.617 10 0 DDAERO CC(C)(C)OC(=O)NC1CC(C[NH2+][C@@]2(CO)CCOC2)C1 ZINC000711391782 699257262 /nfs/dbraw/zinc/25/72/62/699257262.db2.gz MZFDJHQHEBFSMK-KOHJWAIASA-N 1 0 300.399 1.031 10 0 DDAERO [NH3+]C[C@H]1C[C@@H](C(=O)NCc2ccccc2Br)CO1 ZINC000713798998 699266947 /nfs/dbraw/zinc/26/69/47/699266947.db2.gz YSRATROILHWCLB-GHMZBOCLSA-N 1 0 313.195 1.429 10 0 DDAERO [NH3+]C[C@@H]1C[C@@H](C(=O)NCc2ccc(Br)s2)CO1 ZINC000713774413 699266991 /nfs/dbraw/zinc/26/69/91/699266991.db2.gz OPNNJPMOWAMXNY-SFYZADRCSA-N 1 0 319.224 1.491 10 0 DDAERO CC(C)([NH3+])c1cn(C[C@@](C)(O)C(F)(F)C(F)(F)F)nn1 ZINC000724029755 699323637 /nfs/dbraw/zinc/32/36/37/699323637.db2.gz WXSYCFSISHRDMQ-MRVPVSSYSA-N 1 0 302.247 1.421 10 0 DDAERO C[NH+](C)Cc1cc(O[C@@H]2CCN(Cc3c[nH]cn3)C2)ccn1 ZINC000886047303 708688600 /nfs/dbraw/zinc/68/86/00/708688600.db2.gz JIXQMLQVDKFFOJ-MRXNPFEDSA-N 1 0 301.394 1.520 10 0 DDAERO CC1(C)CC(Cc2noc(CN3CCCC[C@@H]([NH3+])C3=O)n2)C1 ZINC000888078227 709210174 /nfs/dbraw/zinc/21/01/74/709210174.db2.gz BHQGXVQEFYUICM-GFCCVEGCSA-N 1 0 306.410 1.888 10 0 DDAERO Cc1c([C@H]2C[N@H+](C/C=C/c3ccccc3)C[C@@H]2C(N)=O)cnn1C ZINC000888078677 709210436 /nfs/dbraw/zinc/21/04/36/709210436.db2.gz LIJROAZDAQFFLD-LJFWHQRKSA-N 1 0 324.428 1.943 10 0 DDAERO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ncnn1C(C)C)C2 ZINC000888098105 709213316 /nfs/dbraw/zinc/21/33/16/709213316.db2.gz ZXMPZKZMERVUDC-MUIFIZLQSA-N 1 0 321.469 1.428 10 0 DDAERO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000900086496 709284655 /nfs/dbraw/zinc/28/46/55/709284655.db2.gz PVAPDFKMSJMZKM-TWHWIZHFSA-N 1 0 308.344 1.679 10 0 DDAERO Cc1nocc1NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000888741959 709370109 /nfs/dbraw/zinc/37/01/09/709370109.db2.gz WWBTXKAOKIEUEM-NSHDSACASA-N 1 0 310.398 1.540 10 0 DDAERO CC[C@@H]1CN(c2nc(Cl)nc3nc[nH]c32)CC[N@@H+]1C[C@@H](C)O ZINC000892356008 710423201 /nfs/dbraw/zinc/42/32/01/710423201.db2.gz ZLPGZZNOWXEQHV-NXEZZACHSA-N 1 0 324.816 1.288 10 0 DDAERO O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC[C@H]1Cn1ccnn1 ZINC000908092626 712684674 /nfs/dbraw/zinc/68/46/74/712684674.db2.gz JSROZWNVMMVDOJ-ILXRZTDVSA-N 1 0 303.410 1.286 10 0 DDAERO C[C@H](O)[C@H](O)C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F ZINC000930277428 713791702 /nfs/dbraw/zinc/79/17/02/713791702.db2.gz XNPDDESEYWWLOD-TXFQPVFDSA-N 1 0 319.323 1.555 10 0 DDAERO CC[C@H]1CN([C@H]2CCCN(C(C)C)C2=O)CC[N@@H+]1CCOC ZINC000248327776 282078619 /nfs/dbraw/zinc/07/86/19/282078619.db2.gz COSZJNXRIPZBBP-HOTGVXAUSA-N 1 0 311.470 1.428 10 0 DDAERO COCCS(=O)(=O)N1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000081767894 192321390 /nfs/dbraw/zinc/32/13/90/192321390.db2.gz PJNAMISYDZKNCW-AWEZNQCLSA-N 1 0 304.456 1.207 10 0 DDAERO CC[C@H]1CN(C(=O)c2ccc(O)cc2O)CC[N@@H+]1C[C@H](C)O ZINC000248410681 282081293 /nfs/dbraw/zinc/08/12/93/282081293.db2.gz HGCBBUSOSPBHDO-RYUDHWBXSA-N 1 0 308.378 1.015 10 0 DDAERO COc1ccc(OC)c([C@@H]([NH3+])CSc2nccc(=O)[nH]2)c1 ZINC000081774396 192323397 /nfs/dbraw/zinc/32/33/97/192323397.db2.gz DWLWRNZNPBMPLU-NSHDSACASA-N 1 0 307.375 1.992 10 0 DDAERO CCC[NH2+][C@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(F)cc1F ZINC000081932757 192341417 /nfs/dbraw/zinc/34/14/17/192341417.db2.gz UGQXCYLZPKMCIE-JSGCOSHPSA-N 1 0 319.373 1.896 10 0 DDAERO CC[C@H](C)S(=O)(=O)C[C@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000081938106 192343103 /nfs/dbraw/zinc/34/31/03/192343103.db2.gz WEFVAFIAAPFGTR-JQWIXIFHSA-N 1 0 301.408 1.917 10 0 DDAERO CCCCN(C(=O)CC[C@@H](C)CC[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000079118292 185159471 /nfs/dbraw/zinc/15/94/71/185159471.db2.gz BVAGLBUOJQVSBG-KGLIPLIRSA-N 1 0 318.483 1.567 10 0 DDAERO COc1ccc(CN2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)nn1 ZINC000328693884 231310918 /nfs/dbraw/zinc/31/09/18/231310918.db2.gz SHDYLSPVQHGLRE-ZDUSSCGKSA-N 1 0 306.410 1.170 10 0 DDAERO CCC[C@@H](C[NH3+])C(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000087520150 185227700 /nfs/dbraw/zinc/22/77/00/185227700.db2.gz BXKUQHONIBUPED-QMMMGPOBSA-N 1 0 319.814 1.301 10 0 DDAERO [NH3+][C@@]1(C(=O)NCc2sccc2Br)CCOC1 ZINC000087575793 185228549 /nfs/dbraw/zinc/22/85/49/185228549.db2.gz XLQRATUEHBWEOR-JTQLQIEISA-N 1 0 305.197 1.245 10 0 DDAERO C[NH2+]C1(CC(=O)N(CCOC)[C@H](C)COC)CCCCC1 ZINC000087577597 185229017 /nfs/dbraw/zinc/22/90/17/185229017.db2.gz MJCBTTBYODXBEG-CQSZACIVSA-N 1 0 300.443 1.809 10 0 DDAERO OCC(CO)[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000087749455 185231553 /nfs/dbraw/zinc/23/15/53/185231553.db2.gz MFOZCXVOYKTMAH-NSHDSACASA-N 1 0 302.168 1.216 10 0 DDAERO CCC(O)(CC)CNc1nc(NN)[nH+]cc1Br ZINC000087883617 185234431 /nfs/dbraw/zinc/23/44/31/185234431.db2.gz AGUZQCFVOCGSQN-UHFFFAOYSA-N 1 0 304.192 1.488 10 0 DDAERO C[C@@H]1CSCCN1c1nc(NN)[nH+]cc1Br ZINC000087879141 185234519 /nfs/dbraw/zinc/23/45/19/185234519.db2.gz PIFVENNEVLKQOS-ZCFIWIBFSA-N 1 0 304.217 1.466 10 0 DDAERO CCC[NH2+][C@H](CCC)[C@@H](CC)S(=O)(=O)CCC(=O)OC ZINC000081974962 192347857 /nfs/dbraw/zinc/34/78/57/192347857.db2.gz DHSSWYJZMIETHV-CHWSQXEVSA-N 1 0 307.456 1.911 10 0 DDAERO C[C@H]1CN(CC(=O)Nc2cccc(Br)c2)CC[NH2+]1 ZINC000088060015 185238341 /nfs/dbraw/zinc/23/83/41/185238341.db2.gz QOPMKIBTZZKPMR-JTQLQIEISA-N 1 0 312.211 1.681 10 0 DDAERO C[C@H]([NH3+])C[S@](=O)CCOc1ccc(Br)cc1 ZINC000088069426 185238626 /nfs/dbraw/zinc/23/86/26/185238626.db2.gz BKBSWTIQKOESTL-FVMDXXJSSA-N 1 0 306.225 1.924 10 0 DDAERO C[C@@H]([NH3+])CS(=O)(=O)Cc1ccc(Br)cc1F ZINC000088070581 185238677 /nfs/dbraw/zinc/23/86/77/185238677.db2.gz XRAVDNDDTLAVCA-SSDOTTSWSA-N 1 0 310.188 1.850 10 0 DDAERO COc1cc(C)c(Br)cc1[C@@H]([NH3+])COCC(N)=O ZINC000088078789 185238800 /nfs/dbraw/zinc/23/88/00/185238800.db2.gz LWUDFGVRLYIGDH-JTQLQIEISA-N 1 0 317.183 1.268 10 0 DDAERO CC(C)NS(=O)(=O)c1ccccc1N1CC[NH2+]CC1(C)C ZINC000088147169 185240561 /nfs/dbraw/zinc/24/05/61/185240561.db2.gz GUZOLUDCCIATJG-UHFFFAOYSA-N 1 0 311.451 1.562 10 0 DDAERO CCOC(=O)[C@@H]1CSCCN1C(=O)C[C@H](C[NH3+])CC(C)C ZINC000088277090 185244631 /nfs/dbraw/zinc/24/46/31/185244631.db2.gz CLFUUFPWVHZDTQ-OLZOCXBDSA-N 1 0 316.467 1.505 10 0 DDAERO CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1S(=O)(=O)CC(=O)OCC ZINC000081977408 192348551 /nfs/dbraw/zinc/34/85/51/192348551.db2.gz RNNTZYQFZFPGRV-AGIUHOORSA-N 1 0 305.440 1.521 10 0 DDAERO CC[C@@H](C[NH3+])S(=O)(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000088473901 185252183 /nfs/dbraw/zinc/25/21/83/185252183.db2.gz QUDWRERTVBMLCA-NSHDSACASA-N 1 0 310.341 1.862 10 0 DDAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)N1CCC[C@H](C(F)(F)F)C1 ZINC000088433047 185249707 /nfs/dbraw/zinc/24/97/07/185249707.db2.gz WWDCJDFBGKGOBP-QWRGUYRKSA-N 1 0 314.373 1.733 10 0 DDAERO C[NH2+]Cc1ccc(OCc2ncnn2C)c(Br)c1 ZINC000088571767 185258136 /nfs/dbraw/zinc/25/81/36/185258136.db2.gz PPDMNAOBCLYGPK-UHFFFAOYSA-N 1 0 311.183 1.876 10 0 DDAERO CCOC(=O)[C@@H]1C[NH2+]CCN1c1ncnc2sc(C)cc21 ZINC000088673161 185262205 /nfs/dbraw/zinc/26/22/05/185262205.db2.gz GIFSOJZEYHRQIE-NSHDSACASA-N 1 0 306.391 1.341 10 0 DDAERO CCOC(=O)[C@@H]1C[NH2+]CCN1c1ccc(C(F)(F)F)cn1 ZINC000088673171 185262250 /nfs/dbraw/zinc/26/22/50/185262250.db2.gz JEGFBNSADVMUFF-JTQLQIEISA-N 1 0 303.284 1.442 10 0 DDAERO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1C=CS(=O)(=O)C1 ZINC000088853415 185266978 /nfs/dbraw/zinc/26/69/78/185266978.db2.gz BWVHTSXIRDGPHZ-WCQYABFASA-N 1 0 309.387 1.637 10 0 DDAERO C[NH2+][C@@H](C[S@](=O)CCS(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000081993117 192351980 /nfs/dbraw/zinc/35/19/80/192351980.db2.gz LMCJSNOBJMWYDF-LIRRHRJNSA-N 1 0 317.476 1.357 10 0 DDAERO CC(C)c1ccc([C@H]([NH3+])C[S@](=O)CCS(C)(=O)=O)cc1 ZINC000081991966 192352141 /nfs/dbraw/zinc/35/21/41/192352141.db2.gz DYFHRHGDYAQRDP-KUHUBIRLSA-N 1 0 317.476 1.603 10 0 DDAERO O=C(c1csc2ccccc12)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308794 185290210 /nfs/dbraw/zinc/29/02/10/185290210.db2.gz AKAUWASFNXVGDW-UHFFFAOYSA-N 1 0 301.415 1.631 10 0 DDAERO COc1ccc([C@H](C)NS(=O)(=O)C[C@@H]2CCCC[NH2+]2)cc1 ZINC000090310739 185290543 /nfs/dbraw/zinc/29/05/43/185290543.db2.gz NFLJBGLPLVAZEB-JSGCOSHPSA-N 1 0 312.435 1.818 10 0 DDAERO Cc1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2(C)C)cc1C ZINC000090337084 185291971 /nfs/dbraw/zinc/29/19/71/185291971.db2.gz CPLLFJRQWZVTDB-HIFRSBDPSA-N 1 0 308.447 1.922 10 0 DDAERO COc1cc([C@H]2[NH2+]C[C@@H](C)S2)cc(Cl)c1OCC(N)=O ZINC000090341144 185292236 /nfs/dbraw/zinc/29/22/36/185292236.db2.gz QAGMVVVKBSOYRJ-UHLUBPPHSA-N 1 0 316.810 1.936 10 0 DDAERO [NH3+][C@@H]1COC[C@H]1c1nc(Cc2ccccc2Br)no1 ZINC000090364739 185292845 /nfs/dbraw/zinc/29/28/45/185292845.db2.gz FFFVDOMBSGAMAT-MWLCHTKSSA-N 1 0 324.178 1.864 10 0 DDAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cccc(OC(F)F)c1 ZINC000090489314 185298765 /nfs/dbraw/zinc/29/87/65/185298765.db2.gz HVKDJFABUYGBMM-NWDGAFQWSA-N 1 0 300.305 1.851 10 0 DDAERO CCOCCCN(CC(F)(F)F)C(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090593099 185305746 /nfs/dbraw/zinc/30/57/46/185305746.db2.gz JCCZFKSJMMJDGQ-CMPLNLGQSA-N 1 0 312.332 1.168 10 0 DDAERO O=C(c1ccc(=O)oc1)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000090700823 185310372 /nfs/dbraw/zinc/31/03/72/185310372.db2.gz UOYKGKLGNXTHCB-CQSZACIVSA-N 1 0 322.430 1.683 10 0 DDAERO Cc1nn([C@]2(C)CCS(=O)(=O)C2)c(C)c1CC[NH2+]C1CC1 ZINC000092321793 185312201 /nfs/dbraw/zinc/31/22/01/185312201.db2.gz NYNLQFOIDHSUMJ-OAHLLOKOSA-N 1 0 311.451 1.328 10 0 DDAERO [NH3+]C1CCN(CC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000092713924 185335873 /nfs/dbraw/zinc/33/58/73/185335873.db2.gz SVQOJGNERQVQBN-ZYHUDNBSSA-N 1 0 307.360 1.647 10 0 DDAERO O=C(c1cn(C2C[NH2+]C2)nn1)N1CCSc2ccccc21 ZINC000092701901 185333694 /nfs/dbraw/zinc/33/36/94/185333694.db2.gz QRXVALBBCUPYNS-UHFFFAOYSA-N 1 0 301.375 1.175 10 0 DDAERO CCn1cnc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH2+]C)c1 ZINC000092889738 185347926 /nfs/dbraw/zinc/34/79/26/185347926.db2.gz HAJBASFGJARNPN-VXGBXAGGSA-N 1 0 300.428 1.054 10 0 DDAERO C[NH2+][C@H]1c2cc(OC)ccc2C[C@@H]1SCCS(C)(=O)=O ZINC000092911601 185348683 /nfs/dbraw/zinc/34/86/83/185348683.db2.gz VGOGYOHEIKZHPA-KBPBESRZSA-N 1 0 315.460 1.658 10 0 DDAERO CCCN(C1CCC([NH3+])CC1)S(=O)(=O)c1cn(CC)cn1 ZINC000092910676 185348719 /nfs/dbraw/zinc/34/87/19/185348719.db2.gz FKVIMCSXYYSGBX-UHFFFAOYSA-N 1 0 314.455 1.574 10 0 DDAERO COC(=O)c1c2c(sc1NC(=O)[C@H]1CC[NH2+][C@@H]1C)CCC2 ZINC000092956087 185350380 /nfs/dbraw/zinc/35/03/80/185350380.db2.gz FESYULWTSHZJGI-BDAKNGLRSA-N 1 0 308.403 1.960 10 0 DDAERO COC(=O)Cn1cc(CC[NH2+][C@@H](C)c2ccc(F)c(F)c2)nn1 ZINC000181641461 199331297 /nfs/dbraw/zinc/33/12/97/199331297.db2.gz VCNCUEWNIUPKGB-JTQLQIEISA-N 1 0 324.331 1.623 10 0 DDAERO CC(C)[NH+](C[C@H](O)CN1C(=O)c2ccccc2C1=O)C(C)C ZINC000183066701 199530593 /nfs/dbraw/zinc/53/05/93/199530593.db2.gz OOXUCNDAWHIPHW-ZDUSSCGKSA-N 1 0 304.390 1.762 10 0 DDAERO CC1CCN(S(=O)(=O)N[C@H]2c3ccccc3C[C@H]2[NH3+])CC1 ZINC000111373086 185589270 /nfs/dbraw/zinc/58/92/70/185589270.db2.gz SBQQGCNSAYDPOA-CABCVRRESA-N 1 0 309.435 1.177 10 0 DDAERO CC(C)[NH2+]C[C@@H]1CCCCN1c1ccc(S(N)(=O)=O)cc1 ZINC000111718898 185630506 /nfs/dbraw/zinc/63/05/06/185630506.db2.gz AIYADZMROZAAGR-AWEZNQCLSA-N 1 0 311.451 1.691 10 0 DDAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000616636235 362764619 /nfs/dbraw/zinc/76/46/19/362764619.db2.gz MHRNGEQWJILKSD-CQSZACIVSA-N 1 0 306.410 1.553 10 0 DDAERO CC(C)(C)OC(=O)NCc1cnc2c(cnn2C2C[NH2+]C2)c1 ZINC000725258855 539570574 /nfs/dbraw/zinc/57/05/74/539570574.db2.gz GYJAVRCPKQKDEP-UHFFFAOYSA-N 1 0 303.366 1.600 10 0 DDAERO Cc1ccccc1C(=O)N[C@@H](C(=O)NC[C@H]([NH3+])C1CC1)C(C)C ZINC000236688584 201965751 /nfs/dbraw/zinc/96/57/51/201965751.db2.gz INKVETGHQFKDSD-JKSUJKDBSA-N 1 0 317.433 1.603 10 0 DDAERO CCNS(=O)(=O)c1ccc(N2C[C@@H](C[NH3+])CC[C@@H]2C)cc1 ZINC000070183354 190869440 /nfs/dbraw/zinc/86/94/40/190869440.db2.gz RBVBJGURCMPQMF-QWHCGFSZSA-N 1 0 311.451 1.548 10 0 DDAERO CN1CC[C@@H](Oc2ccc(CC[NH3+])cc2C(F)(F)F)C1=O ZINC000071196150 190941269 /nfs/dbraw/zinc/94/12/69/190941269.db2.gz HLBFLAZFIGBGEJ-GFCCVEGCSA-N 1 0 302.296 1.816 10 0 DDAERO C[NH2+][C@H]1CCN(S(=O)(=O)C2CCOCC2)c2ccccc21 ZINC000071324964 190957772 /nfs/dbraw/zinc/95/77/72/190957772.db2.gz MGNCZANVWXUVFB-AWEZNQCLSA-N 1 0 310.419 1.666 10 0 DDAERO CCn1c(C[NH3+])nnc1SCC(=O)Nc1ccc(C)cc1 ZINC000071374614 190963506 /nfs/dbraw/zinc/96/35/06/190963506.db2.gz UIWZHOYVZPUZJJ-UHFFFAOYSA-N 1 0 305.407 1.796 10 0 DDAERO CC(C)CN(CCC(N)=[NH2+])S(=O)(=O)c1cccc(F)c1 ZINC000083762125 192381507 /nfs/dbraw/zinc/38/15/07/192381507.db2.gz HEAYEEXLVOUAFE-UHFFFAOYSA-N 1 0 301.387 1.798 10 0 DDAERO CS(=O)(=O)c1ccc([S@@](=O)[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000084055801 192397638 /nfs/dbraw/zinc/39/76/38/192397638.db2.gz GOXVAGQVTAWEKT-KSMMKXTCSA-N 1 0 315.460 1.858 10 0 DDAERO CCC[C@@H](C[S@@](=O)c1ccc(S(C)(=O)=O)cc1)[NH2+]CC ZINC000084055943 192397865 /nfs/dbraw/zinc/39/78/65/192397865.db2.gz PMHAZOIHMTYDKI-BUXKBTBVSA-N 1 0 317.476 1.976 10 0 DDAERO CS(=O)(=O)c1ccc([S@](=O)[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000084055806 192398166 /nfs/dbraw/zinc/39/81/66/192398166.db2.gz GOXVAGQVTAWEKT-IQUTYRLHSA-N 1 0 315.460 1.858 10 0 DDAERO C[NH2+][C@H]1CCCN(C(=O)[C@@H](C)NC(=O)Nc2ccccc2)C1 ZINC000133540984 185993498 /nfs/dbraw/zinc/99/34/98/185993498.db2.gz PNLSDPHHQIIANR-OCCSQVGLSA-N 1 0 304.394 1.407 10 0 DDAERO COc1cc2c(c(OC)c1)[C@@H](C[NH3+])N(Cc1cnn(C)c1)C2 ZINC000071683925 191007090 /nfs/dbraw/zinc/00/70/90/191007090.db2.gz BTPGYBYQJNKXKN-CQSZACIVSA-N 1 0 302.378 1.453 10 0 DDAERO CCOCC[N@@H+]1CCN(c2nccn(CC)c2=O)C[C@@H]1CC ZINC000179721224 186210223 /nfs/dbraw/zinc/21/02/23/186210223.db2.gz PXFPJGLZFUILAN-AWEZNQCLSA-N 1 0 308.426 1.200 10 0 DDAERO CC(C)NC(=O)CC[NH+]1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000171561441 197942246 /nfs/dbraw/zinc/94/22/46/197942246.db2.gz HXTLNBMRCKAJLO-KRWDZBQOSA-N 1 0 319.449 1.252 10 0 DDAERO C[NH+](C)C[C@]1(O)CCN(Cc2cccc(-n3cccn3)c2)C1 ZINC000072420955 191157209 /nfs/dbraw/zinc/15/72/09/191157209.db2.gz KJSFAJNTGYHOFO-QGZVFWFLSA-N 1 0 300.406 1.371 10 0 DDAERO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+]3CCC[C@](O)(CO)C3)cc2c1 ZINC000072458746 191173483 /nfs/dbraw/zinc/17/34/83/191173483.db2.gz FQRXMAGIXPRRHV-GOSISDBHSA-N 1 0 316.401 1.464 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(C(N)=O)cc2)C1 ZINC000052528709 352614993 /nfs/dbraw/zinc/61/49/93/352614993.db2.gz VFXQHISHMZRHSP-AWEZNQCLSA-N 1 0 304.394 1.069 10 0 DDAERO O=C(C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1)N1CCNC1=O ZINC000173963607 198274358 /nfs/dbraw/zinc/27/43/58/198274358.db2.gz DANUTQOGSZFILE-HUUCEWRRSA-N 1 0 317.389 1.126 10 0 DDAERO Cc1ccc(CNC(=O)[C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)cc1 ZINC000105871467 353937489 /nfs/dbraw/zinc/93/74/89/353937489.db2.gz PPXYKKBMTVHMKS-HIFRSBDPSA-N 1 0 313.405 1.196 10 0 DDAERO C[C@H]([NH3+])c1cc2c(F)cc(F)cc2nc1N1CCNC(=O)C1 ZINC000118068988 353997363 /nfs/dbraw/zinc/99/73/63/353997363.db2.gz VOILGOKUZJJXQG-QMMMGPOBSA-N 1 0 306.316 1.469 10 0 DDAERO CC(C)(C(=O)N[C@H]1CCCc2sccc21)N1CC[NH2+]CC1 ZINC000129735056 354085199 /nfs/dbraw/zinc/08/51/99/354085199.db2.gz HZDRSHDUHCJUNA-ZDUSSCGKSA-N 1 0 307.463 1.926 10 0 DDAERO C[NH2+]C[C@H]1CCN(c2ncc(I)cn2)C1 ZINC000126252170 354052225 /nfs/dbraw/zinc/05/22/25/354052225.db2.gz ZRIGVEOEEAOZNV-MRVPVSSYSA-N 1 0 318.162 1.127 10 0 DDAERO Ic1cnc(NCC[C@H]2CC[NH2+]C2)nc1 ZINC000126255522 354052936 /nfs/dbraw/zinc/05/29/36/354052936.db2.gz LTOHRYXRCIYHFI-MRVPVSSYSA-N 1 0 318.162 1.493 10 0 DDAERO Cc1ncc(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)s1 ZINC000176872251 198631307 /nfs/dbraw/zinc/63/13/07/198631307.db2.gz KEEWITYXDYPYCD-LLVKDONJSA-N 1 0 311.451 1.616 10 0 DDAERO CN1CCN(c2ncc(Cl)cc2Br)[C@@H](C[NH3+])C1 ZINC000228676108 354323203 /nfs/dbraw/zinc/32/32/03/354323203.db2.gz MVHXXEISCYLLMS-VIFPVBQESA-N 1 0 319.634 1.577 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000248420390 354368415 /nfs/dbraw/zinc/36/84/15/354368415.db2.gz WRSZXJFWRYEWDX-HIFRSBDPSA-N 1 0 322.453 1.123 10 0 DDAERO Cc1nnc(N2C[C@@H](F)C[C@H]2C[NH2+][C@H]2CCCSC2)o1 ZINC000328643539 354558076 /nfs/dbraw/zinc/55/80/76/354558076.db2.gz RJJFHBPSYHGCCP-SRVKXCTJSA-N 1 0 300.403 1.780 10 0 DDAERO F[C@H]1C[C@@H](C[NH2+][C@@H]2CCCSC2)N(Cc2cncnc2)C1 ZINC000328650253 354559224 /nfs/dbraw/zinc/55/92/24/354559224.db2.gz VLUMBEBSMZCAGH-ZNMIVQPWSA-N 1 0 310.442 1.874 10 0 DDAERO C[N@H+](CC1CC1)C[C@@H]1CN(C(=O)C[C@H]2CCCCO2)CCO1 ZINC000328653533 354560313 /nfs/dbraw/zinc/56/03/13/354560313.db2.gz WXDNRIROKRRJEQ-HZPDHXFCSA-N 1 0 310.438 1.515 10 0 DDAERO C[C@H]1CN(C(=O)Oc2ccccc2)CC[C@H]1N1CC[NH2+]CC1 ZINC000073655126 191337155 /nfs/dbraw/zinc/33/71/55/191337155.db2.gz NUJFPUAHRWIQQI-GOEBONIOSA-N 1 0 303.406 1.801 10 0 DDAERO CC(C)(C)[NH2+]C[C@H](O)COc1cccc2c1SCC(=O)N2 ZINC000005352938 181233592 /nfs/dbraw/zinc/23/35/92/181233592.db2.gz SWWQDUZAPYPHEI-JTQLQIEISA-N 1 0 310.419 1.859 10 0 DDAERO C[C@H](O)[C@H]([NH3+])CNC(=O)c1ccc(F)cc1Br ZINC000080696546 192181842 /nfs/dbraw/zinc/18/18/42/192181842.db2.gz WXZDSCHHGCJFQR-QUBYGPBYSA-N 1 0 305.147 1.026 10 0 DDAERO Cc1csc([C@H](C)NS(=O)(=O)C[C@H]2CCC[NH2+]C2)n1 ZINC000080315356 192023285 /nfs/dbraw/zinc/02/32/85/192023285.db2.gz LXAFHMYSCZASKT-QWRGUYRKSA-N 1 0 303.453 1.432 10 0 DDAERO C[C@@H](O)[C@@H]([NH3+])CNC(=O)c1ccc(F)cc1Br ZINC000080696560 192182769 /nfs/dbraw/zinc/18/27/69/192182769.db2.gz WXZDSCHHGCJFQR-LDWIPMOCSA-N 1 0 305.147 1.026 10 0 DDAERO C[C@H]1CCC[C@]([NH3+])(C(=O)N(C)CC(=O)NCC(F)(F)F)C1 ZINC000080921539 192201196 /nfs/dbraw/zinc/20/11/96/192201196.db2.gz QJQQNOVISZARSE-JOYOIKCWSA-N 1 0 309.332 1.031 10 0 DDAERO C[C@H](CC[NH2+]C1CC1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081542743 192287702 /nfs/dbraw/zinc/28/77/02/192287702.db2.gz BTXYWLNYLFAXAP-SECBINFHSA-N 1 0 303.332 1.643 10 0 DDAERO Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000081579924 192295990 /nfs/dbraw/zinc/29/59/90/192295990.db2.gz QEJIPGGTPGMHNY-HNNXBMFYSA-N 1 0 313.405 1.913 10 0 DDAERO CCNC(=O)COc1cccc(NC(=O)[C@H]([NH3+])[C@@H](C)CC)c1 ZINC000236888957 202055333 /nfs/dbraw/zinc/05/53/33/202055333.db2.gz VHWSYMRUZIADMO-XHDPSFHLSA-N 1 0 307.394 1.513 10 0 DDAERO CCCN(CC[NH+](C)C)S(=O)(=O)c1cnc(N)c(Cl)c1 ZINC000081693814 192314347 /nfs/dbraw/zinc/31/43/47/192314347.db2.gz QLKWDTFJBHDQRL-UHFFFAOYSA-N 1 0 320.846 1.280 10 0 DDAERO CC(C)C[C@@H]1CN(C2CCS(=O)(=O)CC2)[C@H](C(C)C)C[NH2+]1 ZINC000086218950 192555275 /nfs/dbraw/zinc/55/52/75/192555275.db2.gz CVZWHUBKEOXFDT-ZBFHGGJFSA-N 1 0 316.511 1.908 10 0 DDAERO CN(Cc1ccccc1)C(=O)NCCC(=O)N[C@H]1CCC[NH2+]C1 ZINC000237128412 202160753 /nfs/dbraw/zinc/16/07/53/202160753.db2.gz YHQJVINLZMVUMQ-HNNXBMFYSA-N 1 0 318.421 1.086 10 0 DDAERO CS(=O)(=O)[C@H]1CCC[C@@]1([NH2+]C1CCCCCC1)C(N)=O ZINC000086677696 192591671 /nfs/dbraw/zinc/59/16/71/192591671.db2.gz UFGQAGYNBJOORZ-JSGCOSHPSA-N 1 0 302.440 1.120 10 0 DDAERO C[NH2+][C@H](C)C(=O)Nc1ccc(F)cc1I ZINC000086764923 192598464 /nfs/dbraw/zinc/59/84/64/192598464.db2.gz NTSFZZOFEKMUDQ-ZCFIWIBFSA-N 1 0 322.121 1.977 10 0 DDAERO COCCOc1cccc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000237185414 202180354 /nfs/dbraw/zinc/18/03/54/202180354.db2.gz MEHWKMNZMQSTGY-GJZGRUSLSA-N 1 0 306.406 1.846 10 0 DDAERO COC[C@H](NS(=O)(=O)Cc1ccccc1C[NH3+])C(C)C ZINC000086697804 192593981 /nfs/dbraw/zinc/59/39/81/192593981.db2.gz GHZUHYAMVWRUDL-AWEZNQCLSA-N 1 0 300.424 1.236 10 0 DDAERO [NH3+]CCCOc1ccc(S(=O)(=O)N2CCSCC2)cc1 ZINC000088932008 192660916 /nfs/dbraw/zinc/66/09/16/192660916.db2.gz UWBDSEIEAOWVNI-UHFFFAOYSA-N 1 0 316.448 1.152 10 0 DDAERO CCCN(C1CC1)S(=O)(=O)c1ccc(OCC[NH2+]C)cc1 ZINC000088946620 192664591 /nfs/dbraw/zinc/66/45/91/192664591.db2.gz CKZSRCLUAFZVDB-UHFFFAOYSA-N 1 0 312.435 1.848 10 0 DDAERO CCCN(C)S(=O)(=O)c1ccc(OC)cc1CC[NH2+]CC ZINC000088947307 192665165 /nfs/dbraw/zinc/66/51/65/192665165.db2.gz HCFQQDAQLCUWTR-UHFFFAOYSA-N 1 0 314.451 1.878 10 0 DDAERO CN1c2ccc(C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)cc2CCC1=O ZINC000186938261 283263345 /nfs/dbraw/zinc/26/33/45/283263345.db2.gz WMRALJNVTBJMLC-RRFJBIMHSA-N 1 0 313.401 1.405 10 0 DDAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1cccc(N2CCOC2=O)c1 ZINC000180500542 199167879 /nfs/dbraw/zinc/16/78/79/199167879.db2.gz WNMYUXPOGRCHMO-CJNGLKHVSA-N 1 0 319.405 1.624 10 0 DDAERO Cc1ccc(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1O ZINC000181153244 199257698 /nfs/dbraw/zinc/25/76/98/199257698.db2.gz QVTZANLRHSFGSL-AWEZNQCLSA-N 1 0 320.433 1.865 10 0 DDAERO CCN(c1ccccc1F)S(=O)(=O)N(C)CCC[NH2+]C ZINC000089021327 192700307 /nfs/dbraw/zinc/70/03/07/192700307.db2.gz FQVGRYUQCHLXDN-UHFFFAOYSA-N 1 0 303.403 1.438 10 0 DDAERO CC[NH2+]Cc1c(C)[nH]nc1S(=O)(=O)N1CCC[C@H](C)CC1 ZINC000089036705 192712869 /nfs/dbraw/zinc/71/28/69/192712869.db2.gz VPLUKXUANHLAIG-NSHDSACASA-N 1 0 314.455 1.638 10 0 DDAERO CC[C@@H](C)CNS(=O)(=O)c1c(C)n[nH]c1C[NH2+]C(C)C ZINC000089025734 192705337 /nfs/dbraw/zinc/70/53/37/192705337.db2.gz AVODOBIKTMVFOB-SNVBAGLBSA-N 1 0 302.444 1.541 10 0 DDAERO CCc1nn(CC)c(C[C@H]([NH2+]C)[C@H]2COCCO2)c1Cl ZINC000089361245 192773603 /nfs/dbraw/zinc/77/36/03/192773603.db2.gz ITXKPUWMEZGADK-WCQYABFASA-N 1 0 301.818 1.665 10 0 DDAERO Cc1ccc(S(C)(=O)=O)cc1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089452085 192792487 /nfs/dbraw/zinc/79/24/87/192792487.db2.gz XZXYLGACRKPOTD-WCQYABFASA-N 1 0 310.419 1.712 10 0 DDAERO Cc1cccc(C(=O)N[C@H](C)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000186930322 200032869 /nfs/dbraw/zinc/03/28/69/200032869.db2.gz SWLZAZPIFMZGFU-BVUBDWEXSA-N 1 0 315.417 1.309 10 0 DDAERO O=C(C[C@@H]1CC[NH2+]C1)N[C@@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000089741756 192854891 /nfs/dbraw/zinc/85/48/91/192854891.db2.gz VOJUKDLKQIJQBE-TUAOUCFPSA-N 1 0 308.344 1.992 10 0 DDAERO CN(C)C(=O)c1ccc(Cl)cc1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000089741683 192855568 /nfs/dbraw/zinc/85/55/68/192855568.db2.gz IGPVNFFMRIDYDA-JTQLQIEISA-N 1 0 309.797 1.980 10 0 DDAERO C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)c1ccc(S(C)(=O)=O)cc1 ZINC000089747032 192856845 /nfs/dbraw/zinc/85/68/45/192856845.db2.gz AWBAWISXXPFMOI-VXGBXAGGSA-N 1 0 310.419 1.267 10 0 DDAERO COC(=O)c1ccccc1CCN1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000186969802 200041394 /nfs/dbraw/zinc/04/13/94/200041394.db2.gz CBFBIACCOKZHIW-HUUCEWRRSA-N 1 0 320.433 1.403 10 0 DDAERO O=C(NCC[C@@H]1CCC[NH2+]C1)c1cnn(-c2ccc(F)cc2)n1 ZINC000237709317 202335282 /nfs/dbraw/zinc/33/52/82/202335282.db2.gz COUFKOVOUJYJBB-LBPRGKRZSA-N 1 0 317.368 1.526 10 0 DDAERO Cc1cccc(NC(=O)CSCC(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000189019658 200336457 /nfs/dbraw/zinc/33/64/57/200336457.db2.gz KTNPUHLYYDJUAY-CYBMUJFWSA-N 1 0 321.446 1.487 10 0 DDAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CCCc1ccc2c(c1)CC(=O)N2 ZINC000193532156 201070975 /nfs/dbraw/zinc/07/09/75/201070975.db2.gz OQYYXGHAOOBPGS-DOMZBBRYSA-N 1 0 315.417 1.761 10 0 DDAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)N(CC(F)(F)F)[C@@H](C)C1CC1 ZINC000090490022 192923043 /nfs/dbraw/zinc/92/30/43/192923043.db2.gz BVXNMGXEQURJOH-ZMLRMANQSA-N 1 0 308.344 1.800 10 0 DDAERO Cc1nccn1CC1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000090472548 192924044 /nfs/dbraw/zinc/92/40/44/192924044.db2.gz AXWHDKSUKMCWLQ-UHFFFAOYSA-N 1 0 304.438 1.916 10 0 DDAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000195176807 201353570 /nfs/dbraw/zinc/35/35/70/201353570.db2.gz OUYRZDGQYHVHBB-GDBMZVCRSA-N 1 0 324.421 1.538 10 0 DDAERO CCS(=O)(=O)[C@@H]1CSCCN1C(=O)CCCCCC[NH3+] ZINC000090928771 192951565 /nfs/dbraw/zinc/95/15/65/192951565.db2.gz DOTTXMYTOORVLX-CYBMUJFWSA-N 1 0 322.496 1.232 10 0 DDAERO C[C@](O)(C[N@@H+]1CC[C@H](CN2CCOCC2)C1)c1ccccc1 ZINC000129690116 291342767 /nfs/dbraw/zinc/34/27/67/291342767.db2.gz PUSRETAXZCPVKI-AEFFLSMTSA-N 1 0 304.434 1.548 10 0 DDAERO O=C(C[C@@H]1CSCC[NH2+]1)Nc1cccc(-c2nnco2)c1 ZINC000091138121 193002724 /nfs/dbraw/zinc/00/27/24/193002724.db2.gz UWHWRGQAQRNIAI-GFCCVEGCSA-N 1 0 304.375 1.770 10 0 DDAERO CCC(CC)[N@H+](CCOC)[C@H](CN)CC(=O)NC(C)(C)C ZINC000091321429 193039978 /nfs/dbraw/zinc/03/99/78/193039978.db2.gz QVVDJJFECIOTIK-AWEZNQCLSA-N 1 0 301.475 1.756 10 0 DDAERO CC[NH2+]Cc1cnn(CCS(=O)(=O)CC)c1C(F)(F)F ZINC000091339783 193043024 /nfs/dbraw/zinc/04/30/24/193043024.db2.gz GBHZZVJGCDCPAO-UHFFFAOYSA-N 1 0 313.345 1.446 10 0 DDAERO CC(C)C[NH2+]Cc1cnn(CCS(C)(=O)=O)c1C(F)F ZINC000091339681 193043725 /nfs/dbraw/zinc/04/37/25/193043725.db2.gz KINBKKJMHAWVSE-UHFFFAOYSA-N 1 0 309.382 1.611 10 0 DDAERO CCc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1N ZINC000091395736 193050260 /nfs/dbraw/zinc/05/02/60/193050260.db2.gz QOIATUIOJYNMDQ-CYBMUJFWSA-N 1 0 311.451 1.546 10 0 DDAERO Cc1sc(CO)cc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091428648 193055088 /nfs/dbraw/zinc/05/50/88/193055088.db2.gz WYOTTZZSCUZUAE-LLVKDONJSA-N 1 0 318.464 1.264 10 0 DDAERO Nc1ncc(Cl)cc1[C@H]([NH3+])C1(N2CCOCC2)CCCC1 ZINC000091642878 193083843 /nfs/dbraw/zinc/08/38/43/193083843.db2.gz HCFUFTSEFDPXCS-ZDUSSCGKSA-N 1 0 310.829 1.962 10 0 DDAERO Nc1cccc(Cl)c1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091662031 193087088 /nfs/dbraw/zinc/08/70/88/193087088.db2.gz AGAJPNZSLGMCHZ-MNOVXSKESA-N 1 0 309.797 1.515 10 0 DDAERO CC[C@@H](C(N)=S)[NH+]1CCN(C(=O)N2CCCCCC2)CC1 ZINC000091971361 193134040 /nfs/dbraw/zinc/13/40/40/193134040.db2.gz UWQAPCRYBRCDMJ-ZDUSSCGKSA-N 1 0 312.483 1.665 10 0 DDAERO COCCN1CCC[C@]2(CC[N@H+](Cc3cccnc3N)C2)C1=O ZINC000092097006 193156771 /nfs/dbraw/zinc/15/67/71/193156771.db2.gz OTSITONJSFSUKG-QGZVFWFLSA-N 1 0 318.421 1.125 10 0 DDAERO CCC[NH2+]C[C@@H]1CCCN(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)C1 ZINC000092113564 193161523 /nfs/dbraw/zinc/16/15/23/193161523.db2.gz GOILAUHNKVQAMM-ZNMIVQPWSA-N 1 0 317.499 1.531 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)c(F)c1 ZINC000092116295 193164407 /nfs/dbraw/zinc/16/44/07/193164407.db2.gz ZICPNSIXXOSXMG-QWRGUYRKSA-N 1 0 300.399 1.822 10 0 DDAERO CN(C)C(=O)c1cc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)ccc1Cl ZINC000092203125 193173246 /nfs/dbraw/zinc/17/32/46/193173246.db2.gz CNDRAHWFESBATA-VHSXEESVSA-N 1 0 307.781 1.884 10 0 DDAERO CN(C)C(=O)[C@H]1C[NH2+]CCN1C[C@@H]1CSc2ccccc21 ZINC000092290729 193186148 /nfs/dbraw/zinc/18/61/48/193186148.db2.gz UDJQYRHZAFYKMF-TZMCWYRMSA-N 1 0 305.447 1.238 10 0 DDAERO C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261721477 203101217 /nfs/dbraw/zinc/10/12/17/203101217.db2.gz CLDSEDVXLOYWJQ-RABLLNBGSA-N 1 0 310.369 1.260 10 0 DDAERO [NH3+][C@@H]1CCC[C@H](C(=O)NCC[S@](=O)Cc2ccccc2)C1 ZINC000262239452 203238358 /nfs/dbraw/zinc/23/83/58/203238358.db2.gz BGNHGOOSTLRIFS-ZSDSOXJFSA-N 1 0 308.447 1.569 10 0 DDAERO Cc1ccc(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)c(OCC2CC2)c1 ZINC000262337602 203265992 /nfs/dbraw/zinc/26/59/92/203265992.db2.gz FVDGTOYSDHJLKM-GJZGRUSLSA-N 1 0 304.390 1.123 10 0 DDAERO NS(=O)(=O)c1ccc(Cl)c(N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000093214162 193217760 /nfs/dbraw/zinc/21/77/60/193217760.db2.gz RKOFXGSIYAHAHG-DTWKUNHWSA-N 1 0 303.815 1.669 10 0 DDAERO CS(=O)(=O)[C@@H]1CCC[C@@]12C[NH+]=C(N)N2Cc1ccccc1 ZINC000093357272 193236725 /nfs/dbraw/zinc/23/67/25/193236725.db2.gz BKHBIANPZZWCHC-UKRRQHHQSA-N 1 0 307.419 1.153 10 0 DDAERO C[C@@H](Cc1cccs1)N(C)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000093292138 193225453 /nfs/dbraw/zinc/22/54/53/193225453.db2.gz OGUKMQLSJJCIPP-WCQYABFASA-N 1 0 302.465 1.693 10 0 DDAERO C[C@@H](Cc1cccs1)N(C)S(=O)(=O)c1n[nH]cc1C[NH3+] ZINC000093294569 193226144 /nfs/dbraw/zinc/22/61/44/193226144.db2.gz IZWXUMYFBAGJOJ-VIFPVBQESA-N 1 0 314.436 1.182 10 0 DDAERO COc1ccc(C[C@H]([NH3+])C(OC)OC)cc1Br ZINC000093304779 193227270 /nfs/dbraw/zinc/22/72/70/193227270.db2.gz BKOQWZPMAPSWNB-JTQLQIEISA-N 1 0 304.184 1.946 10 0 DDAERO C[C@H](C[C@H]1CCC[NH2+]1)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000093464756 193256170 /nfs/dbraw/zinc/25/61/70/193256170.db2.gz SUEXTQGAMNEECN-NXEZZACHSA-N 1 0 317.842 1.930 10 0 DDAERO COCCN1C(=[NH2+])NC[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000093380107 193241019 /nfs/dbraw/zinc/24/10/19/193241019.db2.gz TXFFMWGNRVSBPJ-NSHDSACASA-N 1 0 303.284 1.903 10 0 DDAERO Cc1c(N[C@@H](C)C[C@H]2CCCC[NH2+]2)cccc1S(N)(=O)=O ZINC000093486322 193258280 /nfs/dbraw/zinc/25/82/80/193258280.db2.gz MYIWJOCVUJRZGW-WCQYABFASA-N 1 0 311.451 1.975 10 0 DDAERO COc1ncc(C)cc1NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262704805 203387721 /nfs/dbraw/zinc/38/77/21/203387721.db2.gz CYJBBWKGEJYZEI-GFCCVEGCSA-N 1 0 315.377 1.772 10 0 DDAERO CCCCCCOC[C@H](O)C[NH2+]CC(C)(C)S(C)(=O)=O ZINC000093519768 193263058 /nfs/dbraw/zinc/26/30/58/193263058.db2.gz COZDGHWKIZAJNN-CYBMUJFWSA-N 1 0 309.472 1.357 10 0 DDAERO C[C@H]([NH3+])c1ccc(NC(=O)NCC(C)(C)S(C)(=O)=O)cc1 ZINC000093535727 193266171 /nfs/dbraw/zinc/26/61/71/193266171.db2.gz SFNCPZJHFBJJST-JTQLQIEISA-N 1 0 313.423 1.651 10 0 DDAERO [NH3+][C@@H]1CCC[C@H]1CCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000093623357 193275335 /nfs/dbraw/zinc/27/53/35/193275335.db2.gz ICXBPIKRDOLEOW-WCQYABFASA-N 1 0 311.403 1.749 10 0 DDAERO C[C@@H]([NH3+])c1cccc(OC[C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000093695924 193290338 /nfs/dbraw/zinc/29/03/38/193290338.db2.gz PXNAUNHPJBCLHG-CHWSQXEVSA-N 1 0 312.435 1.757 10 0 DDAERO CS(=O)(=O)N1CCC[C@H](Cn2ccc(C[NH2+]C3CC3)c2)C1 ZINC000093698547 193292943 /nfs/dbraw/zinc/29/29/43/193292943.db2.gz JFTKNZOWJSBYFF-CQSZACIVSA-N 1 0 311.451 1.412 10 0 DDAERO CCC(CC)(C(=O)C[C@@H]1CCCN(S(C)(=O)=O)C1)[NH+](C)C ZINC000093699519 193293182 /nfs/dbraw/zinc/29/31/82/193293182.db2.gz AGDMNRIDLPRLHF-ZDUSSCGKSA-N 1 0 318.483 1.738 10 0 DDAERO CC[C@@](C)(C(=O)C[C@@H]1CCCN(S(C)(=O)=O)C1)[NH+](C)C ZINC000093699515 193293543 /nfs/dbraw/zinc/29/35/43/193293543.db2.gz JSEVWZCFCBJRJK-JSGCOSHPSA-N 1 0 304.456 1.348 10 0 DDAERO C[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cc(C)ccn1 ZINC000093700312 193293886 /nfs/dbraw/zinc/29/38/86/193293886.db2.gz IQNCNAUBIIMRDD-KBPBESRZSA-N 1 0 311.451 1.712 10 0 DDAERO C[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)CC(F)(F)F ZINC000093700076 193294392 /nfs/dbraw/zinc/29/43/92/193294392.db2.gz VIRCFMBEVRPWSW-VHSXEESVSA-N 1 0 302.362 1.589 10 0 DDAERO CCC[NH2+][C@H](CCCOC)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700414 193294394 /nfs/dbraw/zinc/29/43/94/193294394.db2.gz XXMZVUKPJXKDTB-LSDHHAIUSA-N 1 0 320.499 1.843 10 0 DDAERO CCC[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCOC1 ZINC000093700562 193294932 /nfs/dbraw/zinc/29/49/32/193294932.db2.gz KNDDJOJWFNZZSZ-RBSFLKMASA-N 1 0 318.483 1.453 10 0 DDAERO CC(C)(C)[NH2+]CC[C@](C)(O)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702863 193295530 /nfs/dbraw/zinc/29/55/30/193295530.db2.gz QNHBIZKPFVFGAM-HIFRSBDPSA-N 1 0 320.499 1.577 10 0 DDAERO CCOC(=O)[C@@]1(NC(C)C)CCC[C@H]([N@H+](C)CCOC)C1 ZINC000093752434 193300422 /nfs/dbraw/zinc/30/04/22/193300422.db2.gz MTJAGDPDZXDYLP-GOEBONIOSA-N 1 0 300.443 1.807 10 0 DDAERO CCN[C@@]1(C(=O)OCC)CCC[C@@H]([N@H+](CC)CCOC)C1 ZINC000093752018 193300556 /nfs/dbraw/zinc/30/05/56/193300556.db2.gz ROFNMHXTQVYOOM-ZBFHGGJFSA-N 1 0 300.443 1.809 10 0 DDAERO CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@H](Sc2nccc(=O)[nH]2)C1 ZINC000093776225 193304514 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ZINC000041472990 183193574 /nfs/dbraw/zinc/19/35/74/183193574.db2.gz NLPOVKBKMVBKAB-UHFFFAOYSA-N 1 0 300.410 1.464 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N2C[C@H](C)OC(C)(C)C2)cc1 ZINC000041681922 183216690 /nfs/dbraw/zinc/21/66/90/183216690.db2.gz XRWNNGQSVDWCDS-LBPRGKRZSA-N 1 0 312.435 1.594 10 0 DDAERO C[C@H]1CN(S(=O)(=O)c2ccc(C[NH3+])s2)CC(C)(C)O1 ZINC000041681910 183216910 /nfs/dbraw/zinc/21/69/10/183216910.db2.gz AZNCHHMQCNPLBI-VIFPVBQESA-N 1 0 304.437 1.395 10 0 DDAERO Cc1cc(NC(=O)C[C@H]2CCC[NH2+]2)ccc1NS(C)(=O)=O ZINC000042167465 183238313 /nfs/dbraw/zinc/23/83/13/183238313.db2.gz UZHHVPAIVXZQKS-LLVKDONJSA-N 1 0 311.407 1.447 10 0 DDAERO C[C@@H]([NH3+])Cc1cccc(Br)c1O[C@@H](C)C(N)=O ZINC000042412827 183266846 /nfs/dbraw/zinc/26/68/46/183266846.db2.gz PUAYCRYZPZJMQK-SFYZADRCSA-N 1 0 301.184 1.591 10 0 DDAERO COC(C)(C)C[C@@H](C)[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000042477416 183274574 /nfs/dbraw/zinc/27/45/74/183274574.db2.gz OWGABEASRADOBR-GFCCVEGCSA-N 1 0 314.451 1.670 10 0 DDAERO 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ZINC000052066421 183848960 /nfs/dbraw/zinc/84/89/60/183848960.db2.gz RRWGQXJVHNOCBO-HTQZYQBOSA-N 1 0 301.184 1.982 10 0 DDAERO CC(C)C[NH2+]C[C@@H](c1ccccc1)N1CCS(=O)(=O)CC1 ZINC000052480418 183861714 /nfs/dbraw/zinc/86/17/14/183861714.db2.gz ZOKQQWGSVSCHLC-INIZCTEOSA-N 1 0 310.463 1.704 10 0 DDAERO NC(=S)c1ccc(CC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000110615206 194342822 /nfs/dbraw/zinc/34/28/22/194342822.db2.gz NCTIPGYFKJOVFK-ZDUSSCGKSA-N 1 0 303.431 1.216 10 0 DDAERO CC[C@@H]1CN(S(=O)(=O)c2cccc([C@@H](C)[NH3+])c2)CCN1C ZINC000110763481 194356804 /nfs/dbraw/zinc/35/68/04/194356804.db2.gz IZTMCHSILAWMPX-TZMCWYRMSA-N 1 0 311.451 1.421 10 0 DDAERO CS(=O)(=O)c1ccc(F)c(NC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000054307125 183933091 /nfs/dbraw/zinc/93/30/91/183933091.db2.gz XBUVULZMBWYXHU-JTQLQIEISA-N 1 0 314.382 1.557 10 0 DDAERO CCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1cc(C)ccc1OC ZINC000110941640 194371687 /nfs/dbraw/zinc/37/16/87/194371687.db2.gz KDPKONXHLNHIGX-CYBMUJFWSA-N 1 0 312.435 1.766 10 0 DDAERO C[NH+](C)CCN1CCN(C(=O)c2c(N)cccc2Cl)CC1 ZINC000111012682 194382852 /nfs/dbraw/zinc/38/28/52/194382852.db2.gz PPKVLIDCWAPYHM-UHFFFAOYSA-N 1 0 310.829 1.242 10 0 DDAERO CN(C[C@@H]1CCCOC1)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000111179703 194399085 /nfs/dbraw/zinc/39/90/85/194399085.db2.gz MZMHRNQXWUUXLH-NSHDSACASA-N 1 0 318.464 1.296 10 0 DDAERO O=S(=O)(c1ccccc1N1C[C@H]2C[NH2+]C[C@H]2C1)C(F)(F)F ZINC000112012273 194424432 /nfs/dbraw/zinc/42/44/32/194424432.db2.gz FQUFEIMNAHEDPA-AOOOYVTPSA-N 1 0 320.336 1.636 10 0 DDAERO CCCCN(C(=O)C[C@H](C)[NH2+]CC)[C@H]1CCS(=O)(=O)C1 ZINC000061271926 184167374 /nfs/dbraw/zinc/16/73/74/184167374.db2.gz UHYHZZZELRSIBS-STQMWFEESA-N 1 0 304.456 1.190 10 0 DDAERO CC[NH2+][C@H](C)CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000061272205 184167427 /nfs/dbraw/zinc/16/74/27/184167427.db2.gz WBLFUOZKMFBPIB-MCIONIFRSA-N 1 0 300.468 1.888 10 0 DDAERO CCCCN(C(=O)C(C)(C)[NH2+]CC)[C@H]1CCS(=O)(=O)C1 ZINC000061294519 184167904 /nfs/dbraw/zinc/16/79/04/184167904.db2.gz IQUFZJPVJDRKCE-LBPRGKRZSA-N 1 0 304.456 1.190 10 0 DDAERO Cc1cnc(CNS(=O)(=O)c2cccc([C@H](C)[NH3+])c2)cn1 ZINC000061323082 184168206 /nfs/dbraw/zinc/16/82/06/184168206.db2.gz IVAVYYUMOVAAIZ-NSHDSACASA-N 1 0 306.391 1.283 10 0 DDAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C1CC1)c1ccncc1 ZINC000061594550 184175929 /nfs/dbraw/zinc/17/59/29/184175929.db2.gz GEEPTAVGLQEVHF-RYUDHWBXSA-N 1 0 305.407 1.872 10 0 DDAERO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1N ZINC000061642536 184180552 /nfs/dbraw/zinc/18/05/52/184180552.db2.gz GXTXSDXKZCXZBY-LLVKDONJSA-N 1 0 301.387 1.123 10 0 DDAERO CC[C@@H](Oc1c(Br)cc(C[NH3+])cc1OC)C(N)=O ZINC000061675953 184181862 /nfs/dbraw/zinc/18/18/62/184181862.db2.gz MPYYMLKLYQQUEC-SECBINFHSA-N 1 0 317.183 1.559 10 0 DDAERO C[C@H]1CN(S(=O)(=O)c2cccc3c2CC[NH2+]C3)CCCO1 ZINC000061933451 184196601 /nfs/dbraw/zinc/19/66/01/184196601.db2.gz TVRLEKNQUBIFQA-LBPRGKRZSA-N 1 0 310.419 1.132 10 0 DDAERO C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000061950887 184198472 /nfs/dbraw/zinc/19/84/72/184198472.db2.gz GGAULHWVRHBZMO-UTUOFQBUSA-N 1 0 307.360 1.456 10 0 DDAERO C[C@H](CNS(=O)(=O)c1ccnc(Cl)c1)C[NH+]1CCCC1 ZINC000062075758 184204279 /nfs/dbraw/zinc/20/42/79/184204279.db2.gz SZCQDLDHPWCJGX-LLVKDONJSA-N 1 0 317.842 1.745 10 0 DDAERO CNS(=O)(=O)c1ccc(NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000062075554 184204496 /nfs/dbraw/zinc/20/44/96/184204496.db2.gz BHLGNANKPCAIKP-ZDUSSCGKSA-N 1 0 311.451 1.739 10 0 DDAERO CN(Cc1nccn1C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000062249849 184225627 /nfs/dbraw/zinc/22/56/27/184225627.db2.gz ABTKBNPBHOEFER-VIFPVBQESA-N 1 0 313.199 1.907 10 0 DDAERO CC[C@H](Oc1ccc(Cl)cc1C[NH2+]CCOC)C(N)=O ZINC000062731092 184251297 /nfs/dbraw/zinc/25/12/97/184251297.db2.gz STLGRWOHLTTYTH-LBPRGKRZSA-N 1 0 300.786 1.719 10 0 DDAERO CC[NH2+][C@H](C)c1ccc(F)cc1O[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000062746933 184251760 /nfs/dbraw/zinc/25/17/60/184251760.db2.gz GQPLQDKFMJITGS-LJWDBELGSA-N 1 0 317.382 1.033 10 0 DDAERO C[NH2+]CCS(=O)(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000062666465 184247054 /nfs/dbraw/zinc/24/70/54/184247054.db2.gz AGYIXLYFBSUCJV-UHFFFAOYSA-N 1 0 300.277 1.806 10 0 DDAERO C[C@@H](Oc1ccc(CC[NH3+])cc1Br)C(=O)N(C)C ZINC000062703812 184248343 /nfs/dbraw/zinc/24/83/43/184248343.db2.gz YLSPKWZFOHHICO-SECBINFHSA-N 1 0 315.211 1.806 10 0 DDAERO COCC[NH2+]CC(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 ZINC000066224591 184397809 /nfs/dbraw/zinc/39/78/09/184397809.db2.gz CTAHCSCPTCGMIQ-UHFFFAOYSA-N 1 0 307.394 1.846 10 0 DDAERO [NH3+]C[C@]1(N2CCn3cnnc3C2)CCC[C@H](C(F)(F)F)C1 ZINC000069384382 184511258 /nfs/dbraw/zinc/51/12/58/184511258.db2.gz CGGUGVPOPXHLNT-JQWIXIFHSA-N 1 0 303.332 1.544 10 0 DDAERO O=S(=O)(CC[C@@H]1CCCC[NH2+]1)NCCOCC(F)(F)F ZINC000113627919 194607174 /nfs/dbraw/zinc/60/71/74/194607174.db2.gz FXPVCMUXGNMKCY-JTQLQIEISA-N 1 0 318.361 1.017 10 0 DDAERO C[C@H]([NH3+])C(=O)NCc1ccc(OCCOc2ccccc2)nc1 ZINC000157191607 197169242 /nfs/dbraw/zinc/16/92/42/197169242.db2.gz WFBJBBJJAAWQOP-ZDUSSCGKSA-N 1 0 315.373 1.503 10 0 DDAERO C[NH2+]CCN(C)C(=O)[C@@H](NC(=O)c1ccc(F)cc1)C(C)C ZINC000120560295 195189439 /nfs/dbraw/zinc/18/94/39/195189439.db2.gz VAXMWRAVVPECHM-AWEZNQCLSA-N 1 0 309.385 1.258 10 0 DDAERO CC(C)C[C@@H](CCO)CNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000120871458 195254384 /nfs/dbraw/zinc/25/43/84/195254384.db2.gz FSACDEXBBWPUFO-HUUCEWRRSA-N 1 0 315.458 1.003 10 0 DDAERO Cn1ccnc1C[N@@H+]1C[C@H](c2ccccc2)[C@]2(CCN(C)C2=O)C1 ZINC000248116718 257108070 /nfs/dbraw/zinc/10/80/70/257108070.db2.gz IWCQLCJHYZLMOI-APWZRJJASA-N 1 0 324.428 1.868 10 0 DDAERO C[N@@H+]1CCO[C@H]2CN(C(=O)COc3ccccc3)CC[C@H]2C1 ZINC000248154424 257108143 /nfs/dbraw/zinc/10/81/43/257108143.db2.gz VDTSJMILWCHENU-HOCLYGCPSA-N 1 0 304.390 1.245 10 0 DDAERO Cn1cc(C[N@@H+]2C[C@H](C(=O)N3CCCC3)C[C@@H]3OCC[C@@H]32)cn1 ZINC000248149848 257108529 /nfs/dbraw/zinc/10/85/29/257108529.db2.gz SXHBIEMBTQEJMR-PMPSAXMXSA-N 1 0 318.421 1.022 10 0 DDAERO COCC[N@@H+]1CC[C@@H]2C[C@@H](C(=O)NCc3ccco3)O[C@H]2C1 ZINC000247824601 257117418 /nfs/dbraw/zinc/11/74/18/257117418.db2.gz FIHFMEVTAVZWCH-SNPRPXQTSA-N 1 0 308.378 1.022 10 0 DDAERO c1coc(C[N@@H+]2C[C@H]3CN(c4ncccn4)CCO[C@H]3C2)c1 ZINC000253595818 257105808 /nfs/dbraw/zinc/10/58/08/257105808.db2.gz JGSDEJITRXRDFL-ZFWWWQNUSA-N 1 0 300.362 1.407 10 0 DDAERO Cc1nc2c(c(NC(C)C)n1)CC[N@H+](Cc1cnn(C)c1)CC2 ZINC000096083833 257135047 /nfs/dbraw/zinc/13/50/47/257135047.db2.gz CZEBKADFXHDSAZ-UHFFFAOYSA-N 1 0 314.437 1.940 10 0 DDAERO Fc1ccccc1C[N@@H+]1C[C@H]2COC[C@]2(CN2CCOCC2)C1 ZINC000503717018 257209721 /nfs/dbraw/zinc/20/97/21/257209721.db2.gz KYAIRFUMXXTPMY-WMZOPIPTSA-N 1 0 320.408 1.606 10 0 DDAERO Fc1cnc(N2C[C@@H]3OC[C@H](CNc4ccccn4)[C@@H]3C2)nc1 ZINC000503716929 257210069 /nfs/dbraw/zinc/21/00/69/257210069.db2.gz JXDCVHFHSCKKKS-UBHSHLNASA-N 1 0 315.352 1.574 10 0 DDAERO CCc1cc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)n(C)n1 ZINC000121663490 195326709 /nfs/dbraw/zinc/32/67/09/195326709.db2.gz PWCLPAIHASOOEK-CYBMUJFWSA-N 1 0 323.441 1.014 10 0 DDAERO c1ccc2oc(N3CC[NH+](CCC4OCCO4)CC3)nc2c1 ZINC000124170430 195611921 /nfs/dbraw/zinc/61/19/21/195611921.db2.gz QARXHFHVAYRMKY-UHFFFAOYSA-N 1 0 303.362 1.713 10 0 DDAERO O=S(=O)(c1ccccc1N1CC[C@H]2[NH2+]CC[C@@H]2C1)C(F)F ZINC000261616281 296472195 /nfs/dbraw/zinc/47/21/95/296472195.db2.gz FWALTYYQZHNCOX-GHMZBOCLSA-N 1 0 316.373 1.871 10 0 DDAERO CC[NH2+]Cc1cccnc1N1CCN(CC(F)(F)F)CC1 ZINC000061948107 134804585 /nfs/dbraw/zinc/80/45/85/134804585.db2.gz AJJJQGVBDVBNEF-UHFFFAOYSA-N 1 0 302.344 1.875 10 0 DDAERO C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CCCc2c1cnn2-c1ncccn1 ZINC000333340088 296585014 /nfs/dbraw/zinc/58/50/14/296585014.db2.gz XXOONJLLOOAUSY-BPLDGKMQSA-N 1 0 312.421 1.627 10 0 DDAERO COc1ccc(CCC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000116784265 286299217 /nfs/dbraw/zinc/29/92/17/286299217.db2.gz QIVUFKLTTCAGMO-INIZCTEOSA-N 1 0 306.406 1.417 10 0 DDAERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C12CCOCC2 ZINC000186205080 286493938 /nfs/dbraw/zinc/49/39/38/286493938.db2.gz PDTCWSSUNOYTIJ-CVEARBPZSA-N 1 0 318.417 1.849 10 0 DDAERO CSc1ccccc1S(=O)(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000193290322 286733014 /nfs/dbraw/zinc/73/30/14/286733014.db2.gz UXOCZAHAYCPKOM-WDEREUQCSA-N 1 0 300.449 1.814 10 0 DDAERO COCc1cc(N2CC[NH2+]CC2)nc(-c2ccccc2F)n1 ZINC000070451627 406816906 /nfs/dbraw/zinc/81/69/06/406816906.db2.gz JRQHQSHWUPBHRN-UHFFFAOYSA-N 1 0 302.353 1.839 10 0 DDAERO COc1ccc(-c2cc(N3CCC[NH2+]CC3)n[nH]2)cc1OC ZINC000070460002 406818412 /nfs/dbraw/zinc/81/84/12/406818412.db2.gz RQODQAGHJVWIBB-UHFFFAOYSA-N 1 0 302.378 1.894 10 0 DDAERO CC(C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000012670947 406850016 /nfs/dbraw/zinc/85/00/16/406850016.db2.gz ULTISLNOASDNIN-MNOVXSKESA-N 1 0 313.423 1.295 10 0 DDAERO Cc1ccc(CNC(=O)c2nn(C)c3c2C[C@@H]([NH+](C)C)CC3)o1 ZINC000014741916 406875665 /nfs/dbraw/zinc/87/56/65/406875665.db2.gz ZBDMZDSMLRTBAO-LBPRGKRZSA-N 1 0 316.405 1.670 10 0 DDAERO C[NH+](C)C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)c1ccccc1 ZINC000029954532 406929351 /nfs/dbraw/zinc/92/93/51/406929351.db2.gz BMLNPMQOVXBXDC-OAHLLOKOSA-N 1 0 319.449 1.958 10 0 DDAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000075873415 406944918 /nfs/dbraw/zinc/94/49/18/406944918.db2.gz FYRUTZQUONLIGJ-ZDUSSCGKSA-N 1 0 318.421 1.749 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000078888516 407048262 /nfs/dbraw/zinc/04/82/62/407048262.db2.gz ILYSERVTSIWCIS-QWHCGFSZSA-N 1 0 312.458 1.415 10 0 DDAERO CC[N@H+](CCNC(=O)N[C@H]1CCCn2nc(C)nc21)C1CC1 ZINC000083717618 407082718 /nfs/dbraw/zinc/08/27/18/407082718.db2.gz YIPUGWXLAUWPDC-ZDUSSCGKSA-N 1 0 306.414 1.205 10 0 DDAERO Cn1ncc2c1CCC[C@H]2[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000089732146 407144936 /nfs/dbraw/zinc/14/49/36/407144936.db2.gz XJOIUAIKJVGGAB-DZGCQCFKSA-N 1 0 312.421 1.846 10 0 DDAERO O=S(=O)(C[C@H]1CCC[NH2+]1)c1nc2ccccc2nc1Cl ZINC000095069755 407206512 /nfs/dbraw/zinc/20/65/12/407206512.db2.gz JTVCVIFLQHXMHB-SECBINFHSA-N 1 0 311.794 1.809 10 0 DDAERO O=[S@@](CC1CC[NH2+]CC1)c1cccc(Br)n1 ZINC000095092408 407206704 /nfs/dbraw/zinc/20/67/04/407206704.db2.gz BTKFXCVQPYQMML-MRXNPFEDSA-N 1 0 303.225 1.951 10 0 DDAERO Cc1cc(C)c([C@@H]2[NH2+]CCc3nc[nH]c32)cc1Cn1cncn1 ZINC000067948052 407291976 /nfs/dbraw/zinc/29/19/76/407291976.db2.gz SKLGGRGBKQVYRD-INIZCTEOSA-N 1 0 308.389 1.901 10 0 DDAERO CCCC(=O)N[C@@H]1CCCN(CC(=O)NCCC(C)(C)C)C1 ZINC000101563452 407311576 /nfs/dbraw/zinc/31/15/76/407311576.db2.gz GAGJOPILRRNQEH-CQSZACIVSA-N 1 0 311.470 1.920 10 0 DDAERO CCc1nccn1[C@H]1CCC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000105897555 407357231 /nfs/dbraw/zinc/35/72/31/407357231.db2.gz FGIUHIHLKGEAGL-HNNXBMFYSA-N 1 0 320.437 1.331 10 0 DDAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)NC[C@@H]1CCCS1 ZINC000126701167 407420023 /nfs/dbraw/zinc/42/00/23/407420023.db2.gz XGFFJFKQPCWLIJ-OLZOCXBDSA-N 1 0 301.456 1.028 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnc(C(F)(F)F)nc1 ZINC000127172755 407429845 /nfs/dbraw/zinc/42/98/45/407429845.db2.gz PWQCMJUICWKYTH-MWLCHTKSSA-N 1 0 314.311 1.804 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)COc1cccc(C=O)c1 ZINC000113156343 407469299 /nfs/dbraw/zinc/46/92/99/407469299.db2.gz MTBLBQPKEYZCSX-OAHLLOKOSA-N 1 0 306.406 1.970 10 0 DDAERO C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113227345 407477723 /nfs/dbraw/zinc/47/77/23/407477723.db2.gz JQRBFFOJYWMIFW-FRRDWIJNSA-N 1 0 311.426 1.595 10 0 DDAERO CCCC(=O)N1CCC[C@H](C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000113226995 407478053 /nfs/dbraw/zinc/47/80/53/407478053.db2.gz OOXNXPGSIBWQQF-HRCADAONSA-N 1 0 321.465 1.720 10 0 DDAERO COC(=O)c1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cn1 ZINC000113223121 407478137 /nfs/dbraw/zinc/47/81/37/407478137.db2.gz JZEXUVHWEBNBPT-DGCLKSJQSA-N 1 0 303.362 1.177 10 0 DDAERO CNC(=O)[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)C(C)C ZINC000178430413 407454388 /nfs/dbraw/zinc/45/43/88/407454388.db2.gz QCNIZEBYVVWKQD-UONOGXRCSA-N 1 0 312.458 1.177 10 0 DDAERO CCC(=O)N1CCC[C@H](C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2CC)C1 ZINC000253548987 407459406 /nfs/dbraw/zinc/45/94/06/407459406.db2.gz NCWOSJYNBFYIFC-HRCADAONSA-N 1 0 321.465 1.720 10 0 DDAERO Cc1nc([C@@H]2CCCN(C(=O)C3([NH3+])CCOCC3)C2)sc1C ZINC000261675665 407575889 /nfs/dbraw/zinc/57/58/89/407575889.db2.gz CFHKOYVCFVSNDN-CYBMUJFWSA-N 1 0 323.462 1.974 10 0 DDAERO COCCOc1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000171075802 407588660 /nfs/dbraw/zinc/58/86/60/407588660.db2.gz XLHSRFSFUBIDIU-CQSZACIVSA-N 1 0 307.394 1.880 10 0 DDAERO COCCc1cc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)n(C)n1 ZINC000128304139 407519298 /nfs/dbraw/zinc/51/92/98/407519298.db2.gz GKWJNWUQUVGDDH-CQSZACIVSA-N 1 0 321.425 1.311 10 0 DDAERO Cc1cc(C)cc(OC[C@@H](O)CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000178631721 407520417 /nfs/dbraw/zinc/52/04/17/407520417.db2.gz YWBSXRNPNLUYGB-SJORKVTESA-N 1 0 304.434 1.823 10 0 DDAERO Cc1ccccc1C(=O)N[C@H](C(=O)NCC[C@H](C)[NH3+])C(C)C ZINC000178638600 407523873 /nfs/dbraw/zinc/52/38/73/407523873.db2.gz JXBBTNCAHWYYDB-ZFWWWQNUSA-N 1 0 305.422 1.603 10 0 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Cc1nnnn1-c1cccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000171076562 407592454 /nfs/dbraw/zinc/59/24/54/407592454.db2.gz ZYJXYPRCIMEXIN-CQSZACIVSA-N 1 0 315.381 1.139 10 0 DDAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261726291 407593466 /nfs/dbraw/zinc/59/34/66/407593466.db2.gz CRAPMHGKXFCJES-LZWOXQAQSA-N 1 0 311.470 1.225 10 0 DDAERO C[C@@H](NC(=O)C1([NH3+])CCOCC1)c1nc(C2CCCCC2)no1 ZINC000261936216 407678767 /nfs/dbraw/zinc/67/87/67/407678767.db2.gz WTVYRDPHRBMGFL-LLVKDONJSA-N 1 0 322.409 1.802 10 0 DDAERO C[C@H]1CN(C(=O)C2([NH3+])CCOCC2)C[C@H](c2ccccc2)O1 ZINC000261934955 407679435 /nfs/dbraw/zinc/67/94/35/407679435.db2.gz WSEYRNCQBYNORX-DZGCQCFKSA-N 1 0 304.390 1.483 10 0 DDAERO C[C@@]1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)Cc2ccccc2C(=O)O1 ZINC000171585868 407710692 /nfs/dbraw/zinc/71/06/92/407710692.db2.gz PITBATDTRWEUMR-KDOFPFPSSA-N 1 0 314.385 1.465 10 0 DDAERO COc1ccc([C@H](C)NC(=O)C2(C[NH3+])CCOCC2)cc1F ZINC000262117803 407744273 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CCOCC[N@@H+]1CCN(C(=O)Nc2cnn(CC)c2)C[C@H]1CC ZINC000116927937 407797412 /nfs/dbraw/zinc/79/74/12/407797412.db2.gz KDKBQBXPWUSNKJ-OAHLLOKOSA-N 1 0 323.441 1.868 10 0 DDAERO CSc1ccccc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000187147259 407824909 /nfs/dbraw/zinc/82/49/09/407824909.db2.gz WHQLMCJVJDFQPF-LLVKDONJSA-N 1 0 300.449 1.733 10 0 DDAERO CC[C@H]1CN(C(=O)CCc2c(C)noc2C)CC[N@@H+]1CCOC ZINC000117304076 407825676 /nfs/dbraw/zinc/82/56/76/407825676.db2.gz ISVNCUNEVSDLEB-HNNXBMFYSA-N 1 0 323.437 1.793 10 0 DDAERO COc1cc(OC)nc(NC[C@H]2[NH2+]CCc3ccccc32)n1 ZINC000262531268 407858955 /nfs/dbraw/zinc/85/89/55/407858955.db2.gz POUCRDBJXRUDRY-CYBMUJFWSA-N 1 0 300.362 1.793 10 0 DDAERO [NH3+][C@H]1CCC[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000238035868 407874949 /nfs/dbraw/zinc/87/49/49/407874949.db2.gz TZGNUGWKYJVQSI-IRXDYDNUSA-N 1 0 301.434 1.848 10 0 DDAERO C[C@H](CC(=O)NC[C@@H](O)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000262625991 407883302 /nfs/dbraw/zinc/88/33/02/407883302.db2.gz LDSLWKWIQLJAGC-PVAVHDDUSA-N 1 0 304.434 1.732 10 0 DDAERO COCCN1CCN(C(=O)/C=C/c2cccc(O)c2)C[C@@H]1C ZINC000153744187 407891149 /nfs/dbraw/zinc/89/11/49/407891149.db2.gz PRIGPEVKOFYJHM-UZYOAWRESA-N 1 0 304.390 1.585 10 0 DDAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2ccc(NC(=O)C3CC3)nc2)C1 ZINC000262655676 407892283 /nfs/dbraw/zinc/89/22/83/407892283.db2.gz CPGNHXBKRTURSZ-RYUDHWBXSA-N 1 0 302.378 1.886 10 0 DDAERO CC[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccc(C)cc2)CCN1CCOC ZINC000262661297 407895568 /nfs/dbraw/zinc/89/55/68/407895568.db2.gz NSVHMZAGCBUFQT-IAGOWNOFSA-N 1 0 319.449 1.564 10 0 DDAERO CCC[C@@](C)([NH3+])C(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000262720939 407910183 /nfs/dbraw/zinc/91/01/83/407910183.db2.gz ZOAKRAXTRFBJLT-XHDPSFHLSA-N 1 0 309.414 1.101 10 0 DDAERO CCCC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)COCC(C)C)C1 ZINC000245199612 407946930 /nfs/dbraw/zinc/94/69/30/407946930.db2.gz KPLLQQUANAAVDQ-LSDHHAIUSA-N 1 0 300.443 1.401 10 0 DDAERO CNC(=O)c1ccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 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DDAERO CN1CC[NH2+]C[C@H]1c1noc(Cc2csc(C(C)(C)C)n2)n1 ZINC000263185060 408050753 /nfs/dbraw/zinc/05/07/53/408050753.db2.gz HGDVGMHEYSCCFH-NSHDSACASA-N 1 0 321.450 1.991 10 0 DDAERO COC(=O)[C@@H](C)Oc1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000245726329 408051887 /nfs/dbraw/zinc/05/18/87/408051887.db2.gz IUYKCRUUYUUHKO-ZBFHGGJFSA-N 1 0 318.417 1.907 10 0 DDAERO COc1c(C[NH2+][C@H](CO)Cc2ccccc2C)c(C)nn1C ZINC000188916899 407987190 /nfs/dbraw/zinc/98/71/90/407987190.db2.gz ZSPKGNLQGJUWCH-HNNXBMFYSA-N 1 0 303.406 1.739 10 0 DDAERO CC[C@@H]1CN(Cc2nc([C@H](C)OC)no2)CC[N@@H+]1C[C@H](C)O ZINC000245473449 407997458 /nfs/dbraw/zinc/99/74/58/407997458.db2.gz PZVUARVWPLVTQB-RWMBFGLXSA-N 1 0 312.414 1.054 10 0 DDAERO O=C([C@@H]1CC(F)(F)CN1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000263071150 408015709 /nfs/dbraw/zinc/01/57/09/408015709.db2.gz WNEPLNBUBNOFSE-XBFCOCLRSA-N 1 0 313.392 1.459 10 0 DDAERO CC[C@@H]1CN(C(=O)NC[C@@H]2CCCS2)CC[N@@H+]1C[C@@H](C)O ZINC000181970565 408058120 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O[C@@H]1C[NH2+]C[C@@H]1CNCc1ccc(Cl)c(Br)c1 ZINC000263192589 408054555 /nfs/dbraw/zinc/05/45/55/408054555.db2.gz IBMVEIXCNHTGLB-JOYOIKCWSA-N 1 0 319.630 1.772 10 0 DDAERO C[C@@H]([NH2+]C[C@@H](O)Cn1cccn1)c1cccc(-n2ccnc2)c1 ZINC000189900484 408132591 /nfs/dbraw/zinc/13/25/91/408132591.db2.gz ZPPJWQYKRDJOAH-RHSMWYFYSA-N 1 0 311.389 1.781 10 0 DDAERO C[C@@H]([NH2+]CC(=O)N1CCNC1=O)c1cccc(-n2ccnc2)c1 ZINC000189912678 408135213 /nfs/dbraw/zinc/13/52/13/408135213.db2.gz HIOLMCXARMYVPT-GFCCVEGCSA-N 1 0 313.361 1.075 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(C(=O)c2c[nH]c3cc(F)ccc32)C[C@H]1C ZINC000246080269 408135723 /nfs/dbraw/zinc/13/57/23/408135723.db2.gz GYFZKWKEXYKPFD-NEPJUHHUSA-N 1 0 319.380 1.834 10 0 DDAERO C[C@@H]1C[NH+](CCCNC(=O)N2CCS[C@@H](C)C2)C[C@@H](C)O1 ZINC000246154526 408156659 /nfs/dbraw/zinc/15/66/59/408156659.db2.gz QEGUSASAOQUKOF-MCIONIFRSA-N 1 0 315.483 1.633 10 0 DDAERO CSCc1noc(CCC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1 ZINC000246159201 408157450 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C[C@H](NC1CN(C(=O)OCc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400425337 302369292 /nfs/dbraw/zinc/36/92/92/302369292.db2.gz YGAKJFJXZWXNGM-DZGCQCFKSA-N 1 0 303.406 1.595 10 0 DDAERO C[C@H](NC1CN(C(=O)OCc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400425344 302369316 /nfs/dbraw/zinc/36/93/16/302369316.db2.gz YGAKJFJXZWXNGM-ZFWWWQNUSA-N 1 0 303.406 1.595 10 0 DDAERO Cc1ccc(C(C)C)c(OCC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000262087617 484262435 /nfs/dbraw/zinc/26/24/35/484262435.db2.gz CSQMKUHGQZYARP-DZGCQCFKSA-N 1 0 306.406 1.194 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)C1(c2ccc(F)cc2)CCCCC1 ZINC000262148382 484264024 /nfs/dbraw/zinc/26/40/24/484264024.db2.gz HOCBKURVARJHEH-CZUORRHYSA-N 1 0 320.408 1.724 10 0 DDAERO COc1ccc2c(c1)CCC[C@@H]2CC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262304967 484268338 /nfs/dbraw/zinc/26/83/38/484268338.db2.gz PYVZBJTWKKOBSL-KEYYUXOJSA-N 1 0 318.417 1.202 10 0 DDAERO CCOc1ccnc(N2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1 ZINC000121015367 490621345 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COC(=O)[C@H](O)C1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000135341572 696847246 /nfs/dbraw/zinc/84/72/46/696847246.db2.gz HUZPKSLSSHSGJN-WBVHZDCISA-N 1 0 307.390 1.140 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@](C)(O)c2cc(C)oc2C)C1 ZINC000174232003 697386179 /nfs/dbraw/zinc/38/61/79/697386179.db2.gz KFWKEHSAAFMRFF-PBHICJAKSA-N 1 0 323.437 1.887 10 0 DDAERO C[C@@H](O)CN1CCN(C(=O)NOCc2ccccc2)C[C@H]1C ZINC000180759464 697451815 /nfs/dbraw/zinc/45/18/15/697451815.db2.gz CSLADDIZKMDVPU-ZIAGYGMSSA-N 1 0 307.394 1.215 10 0 DDAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)Nc1sccc1C(N)=O ZINC000183160613 697484213 /nfs/dbraw/zinc/48/42/13/697484213.db2.gz AVTGUJBVCGQJNL-QXEWZRGKSA-N 1 0 311.407 1.331 10 0 DDAERO CO[C@H]1C[N@H+](Cn2cnc3c2ncnc3NC(C)C)CC[C@@H]1C ZINC000190194774 697585305 /nfs/dbraw/zinc/58/53/05/697585305.db2.gz OTFGFVVZAJDHPT-STQMWFEESA-N 1 0 318.425 1.961 10 0 DDAERO CSc1ccccc1S(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000193290292 697658562 /nfs/dbraw/zinc/65/85/62/697658562.db2.gz UXOCZAHAYCPKOM-GHMZBOCLSA-N 1 0 300.449 1.814 10 0 DDAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)N[C@@H]1COc2ccccc21 ZINC000195197906 697734406 /nfs/dbraw/zinc/73/44/06/697734406.db2.gz SSFJPNHQWOVGCI-DZGCQCFKSA-N 1 0 319.405 1.266 10 0 DDAERO C[NH2+][C@H]1CCCN(c2ncc(Br)c(OC)n2)C1 ZINC000234486670 697791977 /nfs/dbraw/zinc/79/19/77/697791977.db2.gz XJVIBCKFZXIRNK-QMMMGPOBSA-N 1 0 301.188 1.436 10 0 DDAERO C[C@@H]1CCC[C@H](C)[C@@]12NC(=O)N(CN1CC[C@@H]([NH+](C)C)C1)C2=O ZINC000246038315 698342097 /nfs/dbraw/zinc/34/20/97/698342097.db2.gz WQLGTRFMAHNYIC-OEUWWYETSA-N 1 0 322.453 1.327 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(c3cccnc3)=NO2)C1 ZINC000249951110 698398430 /nfs/dbraw/zinc/39/84/30/698398430.db2.gz HPAPUHWOKZEDBW-DZGCQCFKSA-N 1 0 302.378 1.175 10 0 DDAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1c(C)nn(CC(C)C)c1C ZINC000261604573 698428840 /nfs/dbraw/zinc/42/88/40/698428840.db2.gz DDPQIOWIGSMKQV-JTQLQIEISA-N 1 0 302.444 1.042 10 0 DDAERO FC(F)(F)c1cc(N2CC[C@@H](N3CC[NH2+]CC3)C2)ccn1 ZINC000261677481 698432648 /nfs/dbraw/zinc/43/26/48/698432648.db2.gz MCEDEAJBFQAGSK-GFCCVEGCSA-N 1 0 300.328 1.584 10 0 DDAERO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc(C)c(Br)c1 ZINC000261855697 698441186 /nfs/dbraw/zinc/44/11/86/698441186.db2.gz XVYDURRVNWEDMV-SECBINFHSA-N 1 0 321.240 1.644 10 0 DDAERO [NH3+][C@@H](C(=O)NC[C@H](O)c1cccc(Cl)c1)C1CCOCC1 ZINC000261880908 698442782 /nfs/dbraw/zinc/44/27/82/698442782.db2.gz UORGOVIADDUHJW-UONOGXRCSA-N 1 0 312.797 1.244 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000262181557 698458207 /nfs/dbraw/zinc/45/82/07/698458207.db2.gz BNSZORVNLAFBDN-LDYMZIIASA-N 1 0 306.284 1.736 10 0 DDAERO COC[C@H]([NH3+])C(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC000262300365 698463797 /nfs/dbraw/zinc/46/37/97/698463797.db2.gz NVACQLSOWWXKAP-NSHDSACASA-N 1 0 306.284 1.174 10 0 DDAERO O=C(CSc1nc2ccccc2s1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262351522 698465393 /nfs/dbraw/zinc/46/53/93/698465393.db2.gz UMIYVKIAJDMXPX-MWLCHTKSSA-N 1 0 323.443 1.085 10 0 DDAERO CC(C)(C)OC(=O)NC(C)(C)CC[NH2+]CC1(O)CCOCC1 ZINC000309692589 698665711 /nfs/dbraw/zinc/66/57/11/698665711.db2.gz DELLVDHODTXBFR-UHFFFAOYSA-N 1 0 316.442 1.811 10 0 DDAERO C1CC1[NH+]1CCC(c2nc([C@@H]3CN4CCC[C@@H]4CO3)no2)CC1 ZINC000329685913 698754507 /nfs/dbraw/zinc/75/45/07/698754507.db2.gz AEMQBDRXJQEUTH-CABCVRRESA-N 1 0 318.421 1.947 10 0 DDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cc(Br)cnc1F ZINC000700870932 699224269 /nfs/dbraw/zinc/22/42/69/699224269.db2.gz KSUCZOJQQPRVRR-MUWHJKNJSA-N 1 0 302.147 1.545 10 0 DDAERO C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccnn1C ZINC000702761222 699232241 /nfs/dbraw/zinc/23/22/41/699232241.db2.gz BEHCXJGMNJHMTM-OUCADQQQSA-N 1 0 324.425 1.299 10 0 DDAERO Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702763613 699232269 /nfs/dbraw/zinc/23/22/69/699232269.db2.gz HNFOVWCYLFWUHP-TZMCWYRMSA-N 1 0 324.425 1.344 10 0 DDAERO CCOC1CC([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 ZINC000702842302 699233806 /nfs/dbraw/zinc/23/38/06/699233806.db2.gz NAQAEYPAIVTSKO-RYSNWHEDSA-N 1 0 314.426 1.371 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(Br)cc1OC ZINC000712384360 699262161 /nfs/dbraw/zinc/26/21/61/699262161.db2.gz XDTLHYPNSPRTLP-MRVPVSSYSA-N 1 0 303.156 1.370 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cn(C)nc1Br ZINC000713880498 699268108 /nfs/dbraw/zinc/26/81/08/699268108.db2.gz MSFWQLXJKFFXNZ-CMPLNLGQSA-N 1 0 313.243 1.851 10 0 DDAERO Cc1nn(C)cc1[C@H]1OCC[C@@H]1[NH2+]Cc1cnc(N(C)C)nc1 ZINC000886068850 708691689 /nfs/dbraw/zinc/69/16/89/708691689.db2.gz XWYJHEKBGDBBQU-LSDHHAIUSA-N 1 0 316.409 1.204 10 0 DDAERO Cc1noc(C[C@@]2(O)CCC[N@H+](Cc3nc(C)ccc3O)C2)n1 ZINC000886096972 708697577 /nfs/dbraw/zinc/69/75/77/708697577.db2.gz QHYYWDYIVACYOG-INIZCTEOSA-N 1 0 318.377 1.357 10 0 DDAERO Cc1[nH]nc(Cl)c1C(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000911418774 710791334 /nfs/dbraw/zinc/79/13/34/710791334.db2.gz SOTNPSYBVNXCPV-MXWKQRLJSA-N 1 0 312.801 1.089 10 0 DDAERO C[C@H](c1ccc(F)nc1)N1C[C@H](C(N)=O)[C@@H](C(F)(F)F)C1 ZINC000930748425 713910447 /nfs/dbraw/zinc/91/04/47/713910447.db2.gz WVQYSDZXKFFFGB-JEZHCXPESA-N 1 0 305.275 1.877 10 0 DDAERO CC[C@@H]1CN(C(=O)[C@H](C)c2c(C)n[nH]c2C)CCN1CCOC ZINC000248460211 282085537 /nfs/dbraw/zinc/08/55/37/282085537.db2.gz SFSBKDPEPXHWKB-IUODEOHRSA-N 1 0 322.453 1.699 10 0 DDAERO CCn1c(S[C@H](C)[C@@H]([NH3+])c2ccc(OC)cc2)n[nH]c1=O ZINC000081879992 192333841 /nfs/dbraw/zinc/33/38/41/192333841.db2.gz PKFHMJPEQXRCND-BXKDBHETSA-N 1 0 308.407 1.781 10 0 DDAERO CCCC[C@@H](CC)COC[C@@H](O)C[NH2+][C@@H](C)CS(C)(=O)=O ZINC000081903075 192337181 /nfs/dbraw/zinc/33/71/81/192337181.db2.gz CQUSDQULNIOKDN-ZNMIVQPWSA-N 1 0 323.499 1.603 10 0 DDAERO CCOCCC[N@@H+]1CC[C@H](NCc2nnc(CC)n2C)[C@H](C)C1 ZINC000248860557 282112167 /nfs/dbraw/zinc/11/21/67/282112167.db2.gz ACTYJEAJUIQJJN-CABCVRRESA-N 1 0 323.485 1.604 10 0 DDAERO C[C@@H]1CC[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)[C@@H]1CO ZINC000248923943 282117866 /nfs/dbraw/zinc/11/78/66/282117866.db2.gz LFZUZPVTTDIMES-DAXOMENPSA-N 1 0 313.825 1.920 10 0 DDAERO [NH3+][C@@H]1CCC2(C[C@H]1S(=O)(=O)c1cccs1)OCCO2 ZINC000081926931 192339763 /nfs/dbraw/zinc/33/97/63/192339763.db2.gz FMQOUXCSMVJCSO-NXEZZACHSA-N 1 0 303.405 1.145 10 0 DDAERO Cc1ncc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c(C(C)C)n1 ZINC000172305759 282142677 /nfs/dbraw/zinc/14/26/77/282142677.db2.gz BGYQZKMQQMLKQL-ZDUSSCGKSA-N 1 0 306.410 1.311 10 0 DDAERO CCOc1ccc([C@H](C)[NH3+])cc1CS(=O)(=O)CCOC ZINC000081944836 192345074 /nfs/dbraw/zinc/34/50/74/192345074.db2.gz UCKZZBCUNLNYJC-NSHDSACASA-N 1 0 301.408 1.666 10 0 DDAERO C[C@H](CC[NH3+])CCC(=O)Nc1ccccc1NS(C)(=O)=O ZINC000079117747 185159228 /nfs/dbraw/zinc/15/92/28/185159228.db2.gz PPLQINKFWGQAPM-NSHDSACASA-N 1 0 313.423 1.762 10 0 DDAERO CC(C)(C)[C@H](CC[NH3+])CCC(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000079294583 185163908 /nfs/dbraw/zinc/16/39/08/185163908.db2.gz MAUJZMCLFGUUSH-QWHCGFSZSA-N 1 0 318.483 1.471 10 0 DDAERO CCC[C@@H]1CCCN(S(=O)(=O)N2CCC[NH2+]CC2)CC1 ZINC000079348508 185165997 /nfs/dbraw/zinc/16/59/97/185165997.db2.gz CUVOSUWLBHVWSC-CQSZACIVSA-N 1 0 303.472 1.429 10 0 DDAERO CS(=O)(=O)c1ccccc1NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000079527295 185173793 /nfs/dbraw/zinc/17/37/93/185173793.db2.gz AJKYHANLVANNMQ-OAACRXHESA-N 1 0 308.403 1.402 10 0 DDAERO O[C@H]1C[NH2+]C[C@H]1Oc1ccc(I)cc1 ZINC000082524970 185190819 /nfs/dbraw/zinc/19/08/19/185190819.db2.gz RCMIJEOTVXEHHB-VHSXEESVSA-N 1 0 305.115 1.003 10 0 DDAERO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000328633852 231269234 /nfs/dbraw/zinc/26/92/34/231269234.db2.gz BDWIXXQYTXPKCP-TZMCWYRMSA-N 1 0 303.410 1.241 10 0 DDAERO C[C@@H]1CC[N@H+](C[C@@H](O)COCc2ccccc2)[C@H](C(N)=O)C1 ZINC000249569068 282174728 /nfs/dbraw/zinc/17/47/28/282174728.db2.gz NUNDMVJOSZYMRJ-BMFZPTHFSA-N 1 0 306.406 1.150 10 0 DDAERO Cc1nnc(SCC(=O)N2[C@H](C)CCC[C@@H]2C)n1CC[NH3+] ZINC000087715158 185230930 /nfs/dbraw/zinc/23/09/30/185230930.db2.gz INPNSTAUXFZFEV-PHIMTYICSA-N 1 0 311.455 1.427 10 0 DDAERO CC[C@@H]1CCCCN1C(=O)CSc1nnc(C)n1CC[NH3+] ZINC000087714842 185231053 /nfs/dbraw/zinc/23/10/53/185231053.db2.gz TYBDGDPQANPPOR-GFCCVEGCSA-N 1 0 311.455 1.428 10 0 DDAERO CCCc1ccc([C@H]([NH3+])CS(=O)(=O)CC(=O)OCC)cc1 ZINC000081977453 192347482 /nfs/dbraw/zinc/34/74/82/192347482.db2.gz OWLAJHLBPPSIHV-CQSZACIVSA-N 1 0 313.419 1.617 10 0 DDAERO C[C@@H](NS(=O)(=O)[C@H]1CC[NH2+]C1)C12CC3CC(CC(C3)C1)C2 ZINC000088056072 185238168 /nfs/dbraw/zinc/23/81/68/185238168.db2.gz YPHSNTUJIDWHPK-OMBAJQCTSA-N 1 0 312.479 1.873 10 0 DDAERO C[C@@H](C[NH3+])S(=O)(=O)Cc1cc(F)cc(Br)c1 ZINC000088068464 185238601 /nfs/dbraw/zinc/23/86/01/185238601.db2.gz FQAWIAWPOGPIQD-ZETCQYMHSA-N 1 0 310.188 1.850 10 0 DDAERO C[C@@H]([NH3+])CS(=O)(=O)Cc1cc(Br)ccc1F ZINC000088070547 185238757 /nfs/dbraw/zinc/23/87/57/185238757.db2.gz ATBSEKDSQCHWJK-SSDOTTSWSA-N 1 0 310.188 1.850 10 0 DDAERO CCOCCN(CC)c1nc(NN)[nH+]cc1Br ZINC000087877599 185234064 /nfs/dbraw/zinc/23/40/64/185234064.db2.gz SFWPBDSCVQXEGO-UHFFFAOYSA-N 1 0 304.192 1.388 10 0 DDAERO CC(C)C(=O)NCCCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000158693915 539217376 /nfs/dbraw/zinc/21/73/76/539217376.db2.gz HNDYEVNPZPLWIF-MRXNPFEDSA-N 1 0 319.449 1.438 10 0 DDAERO C[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)N(C)C ZINC000181410342 539237861 /nfs/dbraw/zinc/23/78/61/539237861.db2.gz WHMKRGRWPXILJH-QWRGUYRKSA-N 1 0 311.813 1.584 10 0 DDAERO COCC[N@H+](CCC(N)=S)CCc1ccc2c(c1)CCO2 ZINC000088102408 185239669 /nfs/dbraw/zinc/23/96/69/185239669.db2.gz JJXCDNOGTFUPPL-UHFFFAOYSA-N 1 0 308.447 1.789 10 0 DDAERO Cc1cc(-n2cc(I)cn2)c(CO)c[nH+]1 ZINC000088110387 185239693 /nfs/dbraw/zinc/23/96/93/185239693.db2.gz NASZUASDIRUOMJ-UHFFFAOYSA-N 1 0 315.114 1.673 10 0 DDAERO C[NH+](C)C[C@@H](NC(=O)c1cccc2n[nH]nc21)c1ccccc1 ZINC000163451344 539223936 /nfs/dbraw/zinc/22/39/36/539223936.db2.gz LTVJJYGVMXKTOK-OAHLLOKOSA-N 1 0 309.373 1.991 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccccc2-n2cccn2)C1 ZINC000170834929 282197611 /nfs/dbraw/zinc/19/76/11/282197611.db2.gz INSAEFOOYFXIAO-OAHLLOKOSA-N 1 0 313.405 1.718 10 0 DDAERO CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1S(=O)(=O)CC(=O)OC ZINC000081976220 192348643 /nfs/dbraw/zinc/34/86/43/192348643.db2.gz ZJEHCJMJASFANP-AGIUHOORSA-N 1 0 305.440 1.521 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)N(C)Cc1cccc(OC)c1)C(C)C ZINC000183647685 539242578 /nfs/dbraw/zinc/24/25/78/539242578.db2.gz YYNIKOACZMGDDQ-MRXNPFEDSA-N 1 0 321.421 1.014 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)NCc1ccc(C)c(F)c1)C(C)C ZINC000183668392 539242934 /nfs/dbraw/zinc/24/29/34/539242934.db2.gz UMRBPUFCWXSDMB-OAHLLOKOSA-N 1 0 309.385 1.111 10 0 DDAERO COc1ccc(OCC[C@@H](C[NH3+])[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000088414485 185249096 /nfs/dbraw/zinc/24/90/96/185249096.db2.gz ZWIYWLIAXPSAOL-QWHCGFSZSA-N 1 0 313.419 1.474 10 0 DDAERO O[C@@H]1CCC2(C[C@@H]1[NH+]1CCC(C(F)(F)F)CC1)OCCO2 ZINC000088434151 185249962 /nfs/dbraw/zinc/24/99/62/185249962.db2.gz SXJRFSLSLUQGGP-NWDGAFQWSA-N 1 0 309.328 1.917 10 0 DDAERO C[NH2+][C@@H](CS(=O)(=O)CCCOC)c1ccc(OC)cc1 ZINC000081985128 192349161 /nfs/dbraw/zinc/34/91/61/192349161.db2.gz ZDLKLNLMFDSNTQ-AWEZNQCLSA-N 1 0 301.408 1.407 10 0 DDAERO Cn1ncnc1C[C@H](C[NH3+])Cc1ccc(Br)cc1 ZINC000088582956 185258528 /nfs/dbraw/zinc/25/85/28/185258528.db2.gz MRHCFLGNLHTKTE-LLVKDONJSA-N 1 0 309.211 1.938 10 0 DDAERO Cc1nn(C)c2sc(C(=O)N[C@H]3CCC[N@H+](C)C3)c(N)c12 ZINC000088641138 185260789 /nfs/dbraw/zinc/26/07/89/185260789.db2.gz XPPJAXYANAUEMC-VIFPVBQESA-N 1 0 307.423 1.349 10 0 DDAERO CC[NH+](CC)CCSc1ccc(S(N)(=O)=O)cc1N ZINC000088733686 185263513 /nfs/dbraw/zinc/26/35/13/185263513.db2.gz XARJFVRJZHOHOG-UHFFFAOYSA-N 1 0 303.453 1.350 10 0 DDAERO CCc1cc(N2CC[NH+]([C@@H](CC)C(N)=S)CC2)nc(C)n1 ZINC000088760028 185264404 /nfs/dbraw/zinc/26/44/04/185264404.db2.gz WUIZMTQESCWSEJ-ZDUSSCGKSA-N 1 0 307.467 1.534 10 0 DDAERO CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccccn2)CC[N@@H+]1C[C@H](C)O ZINC000248465441 539272052 /nfs/dbraw/zinc/27/20/52/539272052.db2.gz ZIKWDUQVJIJSPO-SOUVJXGZSA-N 1 0 320.437 1.629 10 0 DDAERO CCCCOCCOC[C@@H](O)C[NH2+]C[C@](C)(O)CC(C)C ZINC000090271831 185288561 /nfs/dbraw/zinc/28/85/61/185288561.db2.gz CSAYGMWDPHYENA-JKSUJKDBSA-N 1 0 305.459 1.567 10 0 DDAERO C[C@](O)(CO)C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000090286383 185289343 /nfs/dbraw/zinc/28/93/43/185289343.db2.gz PVZMZSBLXBVICG-QWHCGFSZSA-N 1 0 300.196 1.769 10 0 DDAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1CC(=O)Nc1ccc(Cl)cc1F ZINC000090327260 185291417 /nfs/dbraw/zinc/29/14/17/185291417.db2.gz QIUVXRWXFDYJRW-FOGDFJRCSA-N 1 0 311.788 1.957 10 0 DDAERO CCc1ccc(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@@H]3C2(C)C)s1 ZINC000090336792 185291826 /nfs/dbraw/zinc/29/18/26/185291826.db2.gz SNHJSTPPYBNJME-JQWIXIFHSA-N 1 0 314.476 1.929 10 0 DDAERO CCCN(CCC)S(=O)(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000090337101 185291848 /nfs/dbraw/zinc/29/18/48/185291848.db2.gz RRSSFKSLBBFOOG-OLZOCXBDSA-N 1 0 303.472 1.283 10 0 DDAERO CC[C@@H]([NH3+])CSCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000090357199 185292280 /nfs/dbraw/zinc/29/22/80/185292280.db2.gz RKRJZULEOJACHR-GFCCVEGCSA-N 1 0 302.465 1.907 10 0 DDAERO [NH3+][C@H]1COC[C@H]1c1nc(-c2ccc(Br)cc2)no1 ZINC000090364356 185292816 /nfs/dbraw/zinc/29/28/16/185292816.db2.gz MDUKSILORAABML-ZJUUUORDSA-N 1 0 310.151 1.940 10 0 DDAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]1COC[C@@H]1[NH3+] ZINC000090382098 185293735 /nfs/dbraw/zinc/29/37/35/185293735.db2.gz KXDHCGXXQOGHOZ-PWSUYJOCSA-N 1 0 303.189 1.926 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(Br)cc1F ZINC000090431569 185295953 /nfs/dbraw/zinc/29/59/53/185295953.db2.gz ZLZLEDJFZXCSNQ-KWQFWETISA-N 1 0 317.158 1.761 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)NCc1ccc(Br)s1 ZINC000090435733 185296387 /nfs/dbraw/zinc/29/63/87/185296387.db2.gz RJQPPOOVZXQXIW-DTWKUNHWSA-N 1 0 319.224 1.361 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1CN1CCN(c2ccccc2Cl)CC1 ZINC000090438665 185296652 /nfs/dbraw/zinc/29/66/52/185296652.db2.gz UOLCWPNBFIHRNT-UKRRQHHQSA-N 1 0 309.841 1.696 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000090438674 185296733 /nfs/dbraw/zinc/29/67/33/185296733.db2.gz CJFRHAGVGAYEMF-BBRMVZONSA-N 1 0 309.841 1.696 10 0 DDAERO COc1cc(Cl)c(NC(=O)[C@@]2(C)COC[C@H]2[NH3+])cc1OC ZINC000090587289 185305047 /nfs/dbraw/zinc/30/50/47/185305047.db2.gz OWIBAMXWSPVMER-OCCSQVGLSA-N 1 0 314.769 1.660 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1nnc(C)c(C)c1C(N)=S ZINC000092631994 185330659 /nfs/dbraw/zinc/33/06/59/185330659.db2.gz HBEHUFHIIGRWNP-GFCCVEGCSA-N 1 0 307.467 1.648 10 0 DDAERO O=C(Nc1nc2ccccc2s1)c1cn(C2C[NH2+]C2)nn1 ZINC000092700309 185333654 /nfs/dbraw/zinc/33/36/54/185333654.db2.gz IELGPGJUMGWJMP-UHFFFAOYSA-N 1 0 300.347 1.284 10 0 DDAERO COc1c(C[NH+]2CCC(c3ccnn3C)CC2)c(C)nn1C ZINC000092810462 185343037 /nfs/dbraw/zinc/34/30/37/185343037.db2.gz XBVSQYXQEVNUBS-UHFFFAOYSA-N 1 0 303.410 1.850 10 0 DDAERO Cn1cc(CC[N@H+](C)C2CCN(c3cccnn3)CC2)cn1 ZINC000328684337 529938052 /nfs/dbraw/zinc/93/80/52/529938052.db2.gz WQAKUHXJUMALCA-UHFFFAOYSA-N 1 0 300.410 1.353 10 0 DDAERO Cc1ccc2c(=O)n(CC3(O)CC[NH+](C)CC3)cnc2c1C ZINC000032590369 190658985 /nfs/dbraw/zinc/65/89/85/190658985.db2.gz AWOCGCZPMTWEAG-UHFFFAOYSA-N 1 0 301.390 1.470 10 0 DDAERO C[NH+](C)C[C@@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccccc1 ZINC000052567359 190682945 /nfs/dbraw/zinc/68/29/45/190682945.db2.gz IIEVPNNZZOHNBD-LSDHHAIUSA-N 1 0 318.421 1.196 10 0 DDAERO [NH3+]C[C@H](Cc1ccn(C2CCCC2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000070324640 190880919 /nfs/dbraw/zinc/88/09/19/190880919.db2.gz DJTLOZUYOGDYKP-STQMWFEESA-N 1 0 311.451 1.550 10 0 DDAERO [NH3+]C[C@@]1(CO)C[C@H]1c1cc2c(c(Br)c1)OCO2 ZINC000070553516 190906014 /nfs/dbraw/zinc/90/60/14/190906014.db2.gz DKQSVAZJPPLHGQ-QPUJVOFHSA-N 1 0 300.152 1.603 10 0 DDAERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)Cc2ncc[nH]2)cc1 ZINC000080531915 192165911 /nfs/dbraw/zinc/16/59/11/192165911.db2.gz NNJKEEKXCXBAGT-NSHDSACASA-N 1 0 308.407 1.511 10 0 DDAERO CCC[C@@H]1C[NH2+]C2(CCCC2)CN1CCCS(C)(=O)=O ZINC000071358404 190962509 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CC(C)NC(=O)CN1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195282533 201373740 /nfs/dbraw/zinc/37/37/40/201373740.db2.gz DVKAWGLKFWUQPR-INIZCTEOSA-N 1 0 304.438 1.360 10 0 DDAERO CCS(=O)(=O)[C@@H]1CSCCN1CCCCC[NH2+]C(C)C ZINC000090928261 192951722 /nfs/dbraw/zinc/95/17/22/192951722.db2.gz JUTSKDBLMYXADT-CQSZACIVSA-N 1 0 322.540 1.964 10 0 DDAERO COCC[NH2+]Cc1c(S[C@H](C)CCO)nc2sccn12 ZINC000091268109 193029083 /nfs/dbraw/zinc/02/90/83/193029083.db2.gz ZBSRHYAVJRTZBM-SNVBAGLBSA-N 1 0 315.464 1.995 10 0 DDAERO [NH3+]C[C@H](CC(=O)N1CCCCC1)N1CCc2sccc2C1 ZINC000091325097 193039606 /nfs/dbraw/zinc/03/96/06/193039606.db2.gz YWGYVXCNZMGCKS-AWEZNQCLSA-N 1 0 307.463 1.836 10 0 DDAERO CCn1nc(C)c(Br)c1C[C@@H](O)C[NH2+]CCOC ZINC000091464911 193059251 /nfs/dbraw/zinc/05/92/51/193059251.db2.gz YEVWKOMOJLDVMC-SNVBAGLBSA-N 1 0 320.231 1.113 10 0 DDAERO C[NH+](C)[C@H]1CCCN(c2nc(Cl)nc(-n3ccnc3)n2)C1 ZINC000091430252 193055010 /nfs/dbraw/zinc/05/50/10/193055010.db2.gz ARHYDHARDLFGKV-JTQLQIEISA-N 1 0 307.789 1.241 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193191721 /nfs/dbraw/zinc/19/17/21/193191721.db2.gz GXBMJLVMDDQXGR-LLVKDONJSA-N 1 0 300.424 1.488 10 0 DDAERO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)O1 ZINC000261626856 203083072 /nfs/dbraw/zinc/08/30/72/203083072.db2.gz COSBKNMIUNTIHJ-SJORKVTESA-N 1 0 302.418 1.974 10 0 DDAERO COc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)cc1 ZINC000261895480 203145611 /nfs/dbraw/zinc/14/56/11/203145611.db2.gz GZWZUWXHAITFMQ-CABCVRRESA-N 1 0 300.362 1.370 10 0 DDAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2nc(C3CC3)cs2)cn1 ZINC000261980121 203164949 /nfs/dbraw/zinc/16/49/49/203164949.db2.gz RPEWNXYAEOGDRN-NEPJUHHUSA-N 1 0 317.418 1.696 10 0 DDAERO CC(C)C[C@@H](C[NH+](C)C)Nc1ccc(S(N)(=O)=O)c(N)c1 ZINC000093198711 193214653 /nfs/dbraw/zinc/21/46/53/193214653.db2.gz BJGQKIMNSOUFPD-LBPRGKRZSA-N 1 0 314.455 1.304 10 0 DDAERO Cn1ncnc1CC1(c2ccccc2Br)C[NH2+]C1 ZINC000093197324 193214961 /nfs/dbraw/zinc/21/49/61/193214961.db2.gz RVKRNBJFRMAYMO-UHFFFAOYSA-N 1 0 307.195 1.661 10 0 DDAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC000093207877 193216095 /nfs/dbraw/zinc/21/60/95/193216095.db2.gz FNRDDTZLTYNIPW-NWDGAFQWSA-N 1 0 320.455 1.457 10 0 DDAERO C[NH2+][C@H](CN1CCOCC1=O)c1cccc(C(F)(F)F)c1 ZINC000093225454 193218934 /nfs/dbraw/zinc/21/89/34/193218934.db2.gz MSPNVNLDXPHACM-GFCCVEGCSA-N 1 0 302.296 1.825 10 0 DDAERO CC[C@H](C)CN(CC)S(=O)(=O)c1n[nH]cc1C[NH2+]C(C)C ZINC000093265716 193223045 /nfs/dbraw/zinc/22/30/45/193223045.db2.gz NLRHVDZEXNSJKD-LBPRGKRZSA-N 1 0 316.471 1.964 10 0 DDAERO COCCN(C(=O)C1CCC(C[NH3+])CC1)[C@H]1CCSC1 ZINC000093425251 193250165 /nfs/dbraw/zinc/25/01/65/193250165.db2.gz AZTXDQPKMVNKTB-RUXDESIVSA-N 1 0 300.468 1.732 10 0 DDAERO Cc1cc2ncc([C@H](C)[NH2+]C[C@@H](C)N3CCOCC3)c(C)n2n1 ZINC000093371643 193241043 /nfs/dbraw/zinc/24/10/43/193241043.db2.gz PBKIPHALZCIGTG-KGLIPLIRSA-N 1 0 317.437 1.717 10 0 DDAERO COc1ccc(C)cc1[C@H](O)C[NH2+]CC(C)(C)S(C)(=O)=O ZINC000093519521 193262917 /nfs/dbraw/zinc/26/29/17/193262917.db2.gz MCICGPZTHBEFCW-CYBMUJFWSA-N 1 0 315.435 1.450 10 0 DDAERO CS(=O)(=O)N1CCC[C@H](C[NH2+]CCc2ccsc2)C1 ZINC000093696545 193291578 /nfs/dbraw/zinc/29/15/78/193291578.db2.gz JFZPBJWGBHRNLW-CYBMUJFWSA-N 1 0 302.465 1.552 10 0 DDAERO CC(C)C[C@@](C)(O)C[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697154 193292468 /nfs/dbraw/zinc/29/24/68/193292468.db2.gz FJNQVGKRYRTWQX-ZIAGYGMSSA-N 1 0 306.472 1.045 10 0 DDAERO CC[NH2+]C[C@H]1CCCCN1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697658 193292680 /nfs/dbraw/zinc/29/26/80/193292680.db2.gz UOXZJXOUPKBWEJ-LSDHHAIUSA-N 1 0 317.499 1.122 10 0 DDAERO CC[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)CC(F)(F)F ZINC000093700081 193293904 /nfs/dbraw/zinc/29/39/04/193293904.db2.gz TZMIKPMVQCMYDD-MNOVXSKESA-N 1 0 316.389 1.979 10 0 DDAERO C[NH2+][C@@H](Cc1ccncc1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700219 193294247 /nfs/dbraw/zinc/29/42/47/193294247.db2.gz NAIPTZWMPLADRW-GJZGRUSLSA-N 1 0 311.451 1.274 10 0 DDAERO CS(=O)(=O)N1CCC[C@H](C[C@@H](C[NH3+])c2ccccc2F)C1 ZINC000093701667 193294693 /nfs/dbraw/zinc/29/46/93/193294693.db2.gz SFUGUTSTENTHNF-OLZOCXBDSA-N 1 0 314.426 1.930 10 0 DDAERO CC[NH2+][C@@]1(C(=O)[O-])CCC[C@@H]([N@H+](CCOC)CC(C)C)C1 ZINC000093751562 193299788 /nfs/dbraw/zinc/29/97/88/193299788.db2.gz TXCZPYDQXQQZBB-ZBFHGGJFSA-N 1 0 300.443 1.966 10 0 DDAERO Cc1nnc(S[C@@H]2CCC[C@@]([NH2+]C3CC3)(C(N)=O)C2)n1C ZINC000093779990 193306529 /nfs/dbraw/zinc/30/65/29/193306529.db2.gz HKTRLNNRPWYBQH-RISCZKNCSA-N 1 0 309.439 1.134 10 0 DDAERO CCC[NH2+]C1CCC(NS(=O)(=O)CCOC(C)C)CC1 ZINC000093665863 193287244 /nfs/dbraw/zinc/28/72/44/193287244.db2.gz JDBMUZIIZOZFHY-UHFFFAOYSA-N 1 0 306.472 1.642 10 0 DDAERO CC(C)OCCS(=O)(=O)N[C@@H](C(N)=[NH2+])C1CCCCC1 ZINC000093667822 193287596 /nfs/dbraw/zinc/28/75/96/193287596.db2.gz CDOSYUKYZZBWTF-GFCCVEGCSA-N 1 0 305.444 1.216 10 0 DDAERO CC(C)N(CC1CC[NH2+]CC1)S(=O)(=O)C[C@@H]1CCCO1 ZINC000094024140 193339515 /nfs/dbraw/zinc/33/95/15/193339515.db2.gz XINGBUCGFZLCEF-AWEZNQCLSA-N 1 0 304.456 1.205 10 0 DDAERO CCOC(=O)[C@@]1([NH3+])CC[C@@H](n2cc(Br)cn2)C1 ZINC000093833162 193314640 /nfs/dbraw/zinc/31/46/40/193314640.db2.gz BJQIFCZGXKGJMN-MWLCHTKSSA-N 1 0 302.172 1.631 10 0 DDAERO C[NH2+][C@@]1(C(N)=O)CC[C@H](Sc2ncnc3ccccc32)C1 ZINC000093851650 193318907 /nfs/dbraw/zinc/31/89/07/193318907.db2.gz NJZUTPIXDZIWNU-BONVTDFDSA-N 1 0 302.403 1.718 10 0 DDAERO CCN(CC(C)(C)C[NH3+])S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000093878214 193322432 /nfs/dbraw/zinc/32/24/32/193322432.db2.gz FLZOFWNGDJJTJK-UHFFFAOYSA-N 1 0 312.435 1.885 10 0 DDAERO CC(C)NS(=O)(=O)c1ccccc1N(C)CC(C)(C)C[NH3+] ZINC000093874569 193322488 /nfs/dbraw/zinc/32/24/88/193322488.db2.gz DLTXTEYZGUONFB-UHFFFAOYSA-N 1 0 313.467 1.794 10 0 DDAERO CCc1nn(CC)c(C[C@H]([NH3+])[C@H]2CN(C)CCN2C)c1Cl ZINC000093894220 193324196 /nfs/dbraw/zinc/32/41/96/193324196.db2.gz QHRAKRLUFWZWGD-SMDDNHRTSA-N 1 0 313.877 1.234 10 0 DDAERO CCc1nn(C)c(C[C@H]([NH2+]C)[C@@H]2CN(C)CCN2C)c1Cl ZINC000093894499 193325448 /nfs/dbraw/zinc/32/54/48/193325448.db2.gz QRUWPVNJVQRONA-JSGCOSHPSA-N 1 0 313.877 1.012 10 0 DDAERO CCn1nc(C)c(Cl)c1C[C@H]([NH3+])[C@@H]1CN(C(C)C)CCO1 ZINC000093926005 193328665 /nfs/dbraw/zinc/32/86/65/193328665.db2.gz SSHWXXABVDUFNF-JSGCOSHPSA-N 1 0 314.861 1.844 10 0 DDAERO CCC[NH2+][C@H](CCCS(=O)(=O)CC)[C@H]1CN(CC)CCO1 ZINC000093915424 193328876 /nfs/dbraw/zinc/32/88/76/193328876.db2.gz ZGIQGAXXQRRBDA-HUUCEWRRSA-N 1 0 320.499 1.290 10 0 DDAERO CN(CCS(C)(=O)=O)C[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000094300276 193357991 /nfs/dbraw/zinc/35/79/91/193357991.db2.gz ZNGIDYVMFJEYKH-MJBXVCDLSA-N 1 0 304.500 1.753 10 0 DDAERO CN(CCS(C)(=O)=O)C[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000094298218 193358126 /nfs/dbraw/zinc/35/81/26/193358126.db2.gz RBUALUNTLHGKHE-DQGBIZLVSA-N 1 0 314.495 1.507 10 0 DDAERO CC[NH2+][C@H]1[C@@H](CN(C)CCS(C)(=O)=O)CCCC1(C)C ZINC000094300588 193358765 /nfs/dbraw/zinc/35/87/65/193358765.db2.gz VPYRACAHEJAVCX-KGLIPLIRSA-N 1 0 304.500 1.767 10 0 DDAERO CCCN(CC[NH+](C)C)S(=O)(=O)c1cc(N)cc(F)c1C ZINC000094360410 193365734 /nfs/dbraw/zinc/36/57/34/193365734.db2.gz UCOLCAHTFVMLLR-UHFFFAOYSA-N 1 0 317.430 1.679 10 0 DDAERO CCN(CCC[NH2+][C@H]1CCc2cc(N)ccc21)S(C)(=O)=O ZINC000094087955 193344848 /nfs/dbraw/zinc/34/48/48/193344848.db2.gz IQVBKDYEUOEKEC-HNNXBMFYSA-N 1 0 311.451 1.517 10 0 DDAERO CC[NH+](CC)CCNS(=O)(=O)c1cc(N)cc(F)c1C ZINC000094359159 193365119 /nfs/dbraw/zinc/36/51/19/193365119.db2.gz BWAACDARTVDWEB-UHFFFAOYSA-N 1 0 303.403 1.336 10 0 DDAERO CCC[NH2+][C@@H]1CCOC[C@H]1S(=O)(=O)c1cccc(F)c1 ZINC000094625101 193385687 /nfs/dbraw/zinc/38/56/87/193385687.db2.gz RTXHZJWMVFPUPN-ZIAGYGMSSA-N 1 0 301.383 1.757 10 0 DDAERO CC(C)[NH2+]C[C@@H](Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000094688048 193391372 /nfs/dbraw/zinc/39/13/72/193391372.db2.gz WPEZUHXMIZFGDK-HUUCEWRRSA-N 1 0 311.447 1.984 10 0 DDAERO [NH3+]CC1(O[C@@H]2CCOC3(CCSCC3)C2)CCOCC1 ZINC000094361986 193366017 /nfs/dbraw/zinc/36/60/17/193366017.db2.gz NJUGLFTWBLSSPX-CYBMUJFWSA-N 1 0 301.452 1.956 10 0 DDAERO [NH3+]Cc1ccc(-c2csc([C@H]3CN4CCN3CC4)n2)cc1 ZINC000094511571 193375746 /nfs/dbraw/zinc/37/57/46/193375746.db2.gz ZDQPLXAGKJIEEP-OAHLLOKOSA-N 1 0 300.431 1.941 10 0 DDAERO CCc1ccsc1[C@@H]([NH3+])c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000094530508 193377212 /nfs/dbraw/zinc/37/72/12/193377212.db2.gz QUBGWVCJHJDFPN-LBPRGKRZSA-N 1 0 301.371 1.888 10 0 DDAERO C[C@@H]1C[C@@H]([NH3+])CN(C(=O)c2cc(Br)cn2C)C1 ZINC000094548828 193379030 /nfs/dbraw/zinc/37/90/30/193379030.db2.gz DSBPVVYHYBEWFA-PSASIEDQSA-N 1 0 300.200 1.597 10 0 DDAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)Nc2ncccc2Br)O1 ZINC000094572863 193381405 /nfs/dbraw/zinc/38/14/05/193381405.db2.gz YGKLYPMTZBHIGE-CBAPKCEASA-N 1 0 300.156 1.289 10 0 DDAERO COc1ccc(C[NH3+])cc1O[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094634418 193385206 /nfs/dbraw/zinc/38/52/06/193385206.db2.gz IXCVMOLNQFHJRQ-OLZOCXBDSA-N 1 0 313.419 1.889 10 0 DDAERO Cc1cc(F)c(N)cc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000094779896 193397215 /nfs/dbraw/zinc/39/72/15/193397215.db2.gz QTZSMSZJDWSRFF-LLVKDONJSA-N 1 0 315.414 1.431 10 0 DDAERO CCC1(CC)CCN([C@@]2(C[NH3+])CCC[C@@H]2S(C)(=O)=O)C1 ZINC000094799000 193399515 /nfs/dbraw/zinc/39/95/15/193399515.db2.gz OAJRLBIAACDGOJ-DZGCQCFKSA-N 1 0 302.484 1.793 10 0 DDAERO C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC[C@@]2(C)CCCO2)c1 ZINC000094805073 193399612 /nfs/dbraw/zinc/39/96/12/193399612.db2.gz LZEHISKVUZQIIQ-SWLSCSKDSA-N 1 0 312.435 1.814 10 0 DDAERO CCN(C)C(=O)[C@@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000191246098 284299092 /nfs/dbraw/zinc/29/90/92/284299092.db2.gz PHCINONSKWSIMT-ZIAGYGMSSA-N 1 0 312.458 1.273 10 0 DDAERO CC[NH2+]C[C@](C)(O)Cc1c(Br)c(CC)nn1C ZINC000097210019 193691632 /nfs/dbraw/zinc/69/16/32/193691632.db2.gz IHYSFSCJRXGWMI-GFCCVEGCSA-N 1 0 304.232 1.648 10 0 DDAERO Cn1nc(C(=O)NCc2cccs2)c2c1CC[C@H]([NH+](C)C)C2 ZINC000014733736 181968009 /nfs/dbraw/zinc/96/80/09/181968009.db2.gz JNHANMNKZWJENK-NSHDSACASA-N 1 0 318.446 1.831 10 0 DDAERO COc1ncccc1[C@@H]([NH3+])C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000097309257 193706639 /nfs/dbraw/zinc/70/66/39/193706639.db2.gz WJPSNXYPTIGSKM-YPMHNXCESA-N 1 0 313.423 1.152 10 0 DDAERO CN(CC(=O)Nc1ccc(N)cc1Cl)C1CC[NH+](C)CC1 ZINC000019775781 182147273 /nfs/dbraw/zinc/14/72/73/182147273.db2.gz XAIFSFOGRYCCPB-UHFFFAOYSA-N 1 0 310.829 1.887 10 0 DDAERO CC(C)(C)NC(=O)COc1ccc(Cl)cc1C[NH2+]CCO ZINC000020873432 182251005 /nfs/dbraw/zinc/25/10/05/182251005.db2.gz ZUWIAILCTNNNAX-UHFFFAOYSA-N 1 0 314.813 1.715 10 0 DDAERO NS(=O)(=O)c1cccc(NC(=O)c2cccc(C[NH3+])c2)c1 ZINC000021803465 182291196 /nfs/dbraw/zinc/29/11/96/182291196.db2.gz OJGQWLGFNGLPOI-UHFFFAOYSA-N 1 0 305.359 1.045 10 0 DDAERO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCOC[C@H]1Cc1ccccc1 ZINC000261947911 284458757 /nfs/dbraw/zinc/45/87/57/284458757.db2.gz OWLJIACYISUFSK-SJORKVTESA-N 1 0 314.429 1.846 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@H](COCCOC)C2)C1 ZINC000174232462 248360214 /nfs/dbraw/zinc/36/02/14/248360214.db2.gz ZVKOHFMMQUACJQ-LSDHHAIUSA-N 1 0 313.442 1.165 10 0 DDAERO C[C@@H]1CN(c2cnc3c(n2)CCCC3)CC[N@@H+]1CC(C)(C)O ZINC000333618096 249044834 /nfs/dbraw/zinc/04/48/34/249044834.db2.gz ZBDXHQFMGRWCOD-CYBMUJFWSA-N 1 0 304.438 1.637 10 0 DDAERO C[C@@H]1CCN(C(=O)NC[C@H]2COc3ccccc32)[C@@H](C[NH3+])C1 ZINC000333493885 249002153 /nfs/dbraw/zinc/00/21/53/249002153.db2.gz CQAULPRFTGIAQF-HZSPNIEDSA-N 1 0 303.406 1.931 10 0 DDAERO CCN(CC)c1ccc(NS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000040861947 183143918 /nfs/dbraw/zinc/14/39/18/183143918.db2.gz HKEDEYJNQJJOLX-UHFFFAOYSA-N 1 0 312.439 1.095 10 0 DDAERO COc1ccc(Nc2nc[nH+]c(NN(C)C)c2N)c(OC)c1 ZINC000040754433 183129894 /nfs/dbraw/zinc/12/98/94/183129894.db2.gz KDXYVODQJZRZIS-UHFFFAOYSA-N 1 0 304.354 1.708 10 0 DDAERO C[C@H](NS(=O)(=O)N1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000040862015 183144355 /nfs/dbraw/zinc/14/43/55/183144355.db2.gz CWDQMWRFHFOHNJ-JTQLQIEISA-N 1 0 303.815 1.141 10 0 DDAERO Cc1cc(NC(=O)C[C@@H]2CCC[NH2+]2)ccc1NS(C)(=O)=O ZINC000042167463 183237932 /nfs/dbraw/zinc/23/79/32/183237932.db2.gz UZHHVPAIVXZQKS-NSHDSACASA-N 1 0 311.407 1.447 10 0 DDAERO CC(C)[N@H+](CCC(=O)Nc1cc(Cl)ccc1N)CC(N)=O ZINC000042427890 183269209 /nfs/dbraw/zinc/26/92/09/183269209.db2.gz AJHRRQFXUCLKMV-UHFFFAOYSA-N 1 0 312.801 1.447 10 0 DDAERO CN(Cc1ccccc1Br)C[C@@H](O)C[NH2+]C1CC1 ZINC000042441071 183270024 /nfs/dbraw/zinc/27/00/24/183270024.db2.gz IMWWHCQDLXFWLA-ZDUSSCGKSA-N 1 0 313.239 1.994 10 0 DDAERO CCCNS(=O)(=O)c1ccc(N(CC)C[C@H](C)C[NH3+])cc1 ZINC000042442374 183270932 /nfs/dbraw/zinc/27/09/32/183270932.db2.gz PSGLLCIRCGVGLS-CYBMUJFWSA-N 1 0 313.467 1.796 10 0 DDAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(CCO)C(C)C)cc1 ZINC000042481049 183275113 /nfs/dbraw/zinc/27/51/13/183275113.db2.gz FUTPNNHDSXXVIO-GFCCVEGCSA-N 1 0 300.424 1.358 10 0 DDAERO COCCN(CC(C)C)S(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000042370786 183259980 /nfs/dbraw/zinc/25/99/80/183259980.db2.gz DQOACTOBKDNGTE-CQSZACIVSA-N 1 0 306.472 1.453 10 0 DDAERO CCC(CC)[N@H+](CCOC)CC(=O)N[C@@H](C(C)=O)C(C)C ZINC000042680586 183296149 /nfs/dbraw/zinc/29/61/49/183296149.db2.gz VICPWVUIKLLQGT-MRXNPFEDSA-N 1 0 300.443 1.853 10 0 DDAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)cc1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000042914716 183318365 /nfs/dbraw/zinc/31/83/65/183318365.db2.gz KGGMZJMNKDFLRN-OWCLPIDISA-N 1 0 310.463 1.892 10 0 DDAERO C[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCS(=O)(=O)CC1 ZINC000042945293 183319673 /nfs/dbraw/zinc/31/96/73/183319673.db2.gz LKQQNAKNTOQYOL-GXFFZTMASA-N 1 0 302.827 1.459 10 0 DDAERO COc1cccc([C@@H]([C@H](C)[NH3+])N(C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000043027213 183331421 /nfs/dbraw/zinc/33/14/21/183331421.db2.gz CNXWLWOEQOIDQG-NJZAAPMLSA-N 1 0 312.435 1.202 10 0 DDAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)N(CC(F)(F)F)C1CC1 ZINC000042782458 183308891 /nfs/dbraw/zinc/30/88/91/183308891.db2.gz JHKXFUHJALMTBX-VIFPVBQESA-N 1 0 300.346 1.343 10 0 DDAERO C[C@@H]([NH3+])[C@H](c1cnn(C)c1)N1CCN(c2nccs2)CC1 ZINC000043126715 183338936 /nfs/dbraw/zinc/33/89/36/183338936.db2.gz AZBMMBFFIIEXIE-DGCLKSJQSA-N 1 0 306.439 1.087 10 0 DDAERO C[C@@H]([NH3+])[C@@H](c1cnn(C)c1)N1CCN(c2nccs2)CC1 ZINC000043126711 183339136 /nfs/dbraw/zinc/33/91/36/183339136.db2.gz AZBMMBFFIIEXIE-YPMHNXCESA-N 1 0 306.439 1.087 10 0 DDAERO Cc1ccsc1[C@H]([C@@H](C)[NH3+])N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043248183 183347329 /nfs/dbraw/zinc/34/73/29/183347329.db2.gz JNKQFVWZCLLBME-UTUOFQBUSA-N 1 0 302.465 1.564 10 0 DDAERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCS(=O)(=O)CC1 ZINC000043252822 183347798 /nfs/dbraw/zinc/34/77/98/183347798.db2.gz ZAJGHZCRAGVAKP-CABZTGNLSA-N 1 0 322.883 1.910 10 0 DDAERO CNC(=O)CN(C)[C@H](c1cc(Br)cs1)[C@@H](C)[NH3+] ZINC000043285421 183350404 /nfs/dbraw/zinc/35/04/04/183350404.db2.gz SKWWBKSNCFMNJP-HQJQHLMTSA-N 1 0 320.256 1.577 10 0 DDAERO C[NH2+]Cc1ccc(OCC(=O)N[C@@H](C)COC)c(Cl)c1 ZINC000043478223 183365646 /nfs/dbraw/zinc/36/56/46/183365646.db2.gz MQVPHUNGMJAKFX-JTQLQIEISA-N 1 0 300.786 1.589 10 0 DDAERO C[NH+]1CCC(CNS(=O)(=O)c2ccc(N)cc2F)CC1 ZINC000044516140 183417651 /nfs/dbraw/zinc/41/76/51/183417651.db2.gz LWTUKVSXZIMAKC-UHFFFAOYSA-N 1 0 301.387 1.028 10 0 DDAERO CC[NH2+][C@@](C)(COc1c(F)c(F)c(F)c(F)c1F)C(N)=O ZINC000045544818 183514271 /nfs/dbraw/zinc/51/42/71/183514271.db2.gz GJNLHAYWICYYTP-LBPRGKRZSA-N 1 0 312.238 1.614 10 0 DDAERO Cc1ccc(C)c(OCC[N@@H+]2CC[C@@](O)(c3cn[nH]n3)C2)c1 ZINC000284549971 218073773 /nfs/dbraw/zinc/07/37/73/218073773.db2.gz GMZCLLCSHYEPME-INIZCTEOSA-N 1 0 302.378 1.394 10 0 DDAERO CCOc1cccc([C@H](C)NC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000104792981 194040576 /nfs/dbraw/zinc/04/05/76/194040576.db2.gz FNSLGMULADZPOZ-XJKSGUPXSA-N 1 0 321.421 1.776 10 0 DDAERO CC[C@H]1C[N@H+](CCCCCn2cccn2)CCN1C[C@@H](C)O ZINC000105828001 194139543 /nfs/dbraw/zinc/13/95/43/194139543.db2.gz MRNAXNWGMCXOBF-SJORKVTESA-N 1 0 308.470 1.830 10 0 DDAERO COCC[N@@H+]1CCN(C[C@H](O)c2ccc(F)cc2F)C[C@@H]1C ZINC000105833823 194141510 /nfs/dbraw/zinc/14/15/10/194141510.db2.gz YPZYMPSODJJCRN-LRDDRELGSA-N 1 0 314.376 1.651 10 0 DDAERO CC[C@@H]1CN(CC(=O)N2CCC[C@H](C)C2)CC[N@@H+]1CCOC ZINC000105836448 194141548 /nfs/dbraw/zinc/14/15/48/194141548.db2.gz BDKFAADFWFCRNH-JKSUJKDBSA-N 1 0 311.470 1.288 10 0 DDAERO Cc1noc(C)c1C[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869091 194152219 /nfs/dbraw/zinc/15/22/19/194152219.db2.gz SAKSAKSGVDJYSF-UHFFFAOYSA-N 1 0 303.410 1.733 10 0 DDAERO O=C(C[N@@H+]1CCC[C@@H](Cn2cncn2)C1)NC(C1CC1)C1CC1 ZINC000105883866 194157857 /nfs/dbraw/zinc/15/78/57/194157857.db2.gz CLFFYGXCGQINBN-CYBMUJFWSA-N 1 0 317.437 1.295 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2ccoc2C(=O)OC)C[C@H]1CC ZINC000106118009 194186818 /nfs/dbraw/zinc/18/68/18/194186818.db2.gz RIJHMVMIVFQHJU-OAHLLOKOSA-N 1 0 324.421 1.999 10 0 DDAERO C[C@H](Cn1ccnc1)NS(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000049238115 183721508 /nfs/dbraw/zinc/72/15/08/183721508.db2.gz YSVGAYDZOIUAAF-NEPJUHHUSA-N 1 0 308.407 1.270 10 0 DDAERO CC[NH2+][C@@](C)(CCCSc1ncnc2[nH]cnc21)C(N)=O ZINC000051037413 183812301 /nfs/dbraw/zinc/81/23/01/183812301.db2.gz YKSKNUSCWXYBCD-ZDUSSCGKSA-N 1 0 308.411 1.079 10 0 DDAERO CC[C@@H](C(N)=S)[NH+]1CCN(C(=O)c2ccccc2C)CC1 ZINC000109460381 194265354 /nfs/dbraw/zinc/26/53/54/194265354.db2.gz LYIIWKMGUKKCOG-AWEZNQCLSA-N 1 0 305.447 1.818 10 0 DDAERO CC[C@@H](C(N)=S)[NH+]1CCN(C(=O)Cc2cccs2)CC1 ZINC000109461588 194266100 /nfs/dbraw/zinc/26/61/00/194266100.db2.gz QLWAFYMSBQRRCM-LBPRGKRZSA-N 1 0 311.476 1.500 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN(C(=O)c2ncccc2C)CC1 ZINC000109461998 194266143 /nfs/dbraw/zinc/26/61/43/194266143.db2.gz HWBBYHJDPQSGMC-GFCCVEGCSA-N 1 0 306.435 1.213 10 0 DDAERO COc1cc2c(cc1F)[nH+]c(N)n2[C@@]1(C)CCS(=O)(=O)C1 ZINC000110629976 194344085 /nfs/dbraw/zinc/34/40/85/194344085.db2.gz PQHHSDIJFNLZAH-ZDUSSCGKSA-N 1 0 313.354 1.300 10 0 DDAERO CCC[NH2+][C@@H](CCN(C)[C@@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000054028107 183920533 /nfs/dbraw/zinc/92/05/33/183920533.db2.gz WLPZUHWRINPZBF-KGLIPLIRSA-N 1 0 304.500 1.910 10 0 DDAERO C[C@H]1C(=O)NCCN1[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000110655370 194346490 /nfs/dbraw/zinc/34/64/90/194346490.db2.gz BAMSWJHEUOIPHC-CABZTGNLSA-N 1 0 312.211 1.269 10 0 DDAERO CN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(F)cc1Cl ZINC000110928062 194369866 /nfs/dbraw/zinc/36/98/66/194369866.db2.gz UAXMFOYFUYCULD-SNVBAGLBSA-N 1 0 306.790 1.852 10 0 DDAERO CN(c1ccc(C(N)=O)c(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000110932700 194371374 /nfs/dbraw/zinc/37/13/74/194371374.db2.gz OJCFKOYVJFYMPI-SNVBAGLBSA-N 1 0 301.312 1.993 10 0 DDAERO C[C@H](C(=O)Nc1ccccc1C(N)=S)N(C)CC[NH+](C)C ZINC000111137313 194394667 /nfs/dbraw/zinc/39/46/67/194394667.db2.gz TVYIESCOQIYCHW-LLVKDONJSA-N 1 0 308.451 1.141 10 0 DDAERO CCOC(=O)[C@H](CC[N@H+](C)C[C@@H]1CCCOC1)NC(C)C ZINC000111169821 194398272 /nfs/dbraw/zinc/39/82/72/194398272.db2.gz KBEWMVIJMUFJAD-GJZGRUSLSA-N 1 0 300.443 1.665 10 0 DDAERO O=C(N[C@H]1C[NH+]2CCC1CC2)c1ccc(Br)cn1 ZINC000061873014 184190609 /nfs/dbraw/zinc/19/06/09/184190609.db2.gz NLIBGYJLLIXWNY-LBPRGKRZSA-N 1 0 310.195 1.668 10 0 DDAERO C[NH+](C)C[C@H]1CCCN1c1nc(Cl)nc(-n2cccn2)n1 ZINC000061654791 184181397 /nfs/dbraw/zinc/18/13/97/184181397.db2.gz HGYXWLIIQIEIHG-SNVBAGLBSA-N 1 0 307.789 1.241 10 0 DDAERO COCC[NH2+][C@]1(c2nc3c(s2)CCC3)CCN(C2CC2)C1 ZINC000061991972 184200015 /nfs/dbraw/zinc/20/00/15/184200015.db2.gz GXAWQQRRURFODD-MRXNPFEDSA-N 1 0 307.463 1.931 10 0 DDAERO CS(=O)(=O)N1CCN(C2(C[NH3+])CCCCCCC2)CC1 ZINC000062082452 184205164 /nfs/dbraw/zinc/20/51/64/184205164.db2.gz NUSWVBAAFIQHLZ-UHFFFAOYSA-N 1 0 303.472 1.005 10 0 DDAERO CC[C@](C)(C[NH2+]C(C)(C)C)CN1CCN(S(C)(=O)=O)CC1 ZINC000062096220 184205851 /nfs/dbraw/zinc/20/58/51/184205851.db2.gz VREYLFFNUIZJHI-OAHLLOKOSA-N 1 0 319.515 1.368 10 0 DDAERO Cc1ccc(C(=O)N2CCN(C(=O)CC[NH+](C)C)CC2)cc1 ZINC000062127043 184207226 /nfs/dbraw/zinc/20/72/26/184207226.db2.gz RLAYUJPKUGDTJT-UHFFFAOYSA-N 1 0 303.406 1.231 10 0 DDAERO O=C(NCCc1[nH+]cc2ccccn21)c1n[nH]c2c1CCCC2 ZINC000062509308 184240503 /nfs/dbraw/zinc/24/05/03/184240503.db2.gz ASAFRBGJZMHBGS-UHFFFAOYSA-N 1 0 309.373 1.909 10 0 DDAERO CCOC(=O)[C@@H]1CSCCN1C(=O)C1(CC)CC[NH2+]CC1 ZINC000062848955 184256612 /nfs/dbraw/zinc/25/66/12/184256612.db2.gz GMMBCBQWBJZPQC-LBPRGKRZSA-N 1 0 314.451 1.273 10 0 DDAERO CC[C@]1(C(=O)Nc2cccc(S(C)(=O)=O)c2)CCC[NH2+]C1 ZINC000062856138 184256822 /nfs/dbraw/zinc/25/68/22/184256822.db2.gz OFUVLSJNAMWZEH-HNNXBMFYSA-N 1 0 310.419 1.808 10 0 DDAERO CC[C@]1(C(=O)N(CCOC)[C@H]2CCSC2)CCC[NH2+]C1 ZINC000062856996 184257235 /nfs/dbraw/zinc/25/72/35/184257235.db2.gz ZKUHISIKAZPAMR-ZFWWWQNUSA-N 1 0 300.468 1.747 10 0 DDAERO CC[C@@]1(c2nc3cc(S(C)(=O)=O)ccc3[nH]2)CCC[NH2+]C1 ZINC000062869265 184257654 /nfs/dbraw/zinc/25/76/54/184257654.db2.gz VQHFTVNQKYZOQC-OAHLLOKOSA-N 1 0 307.419 1.998 10 0 DDAERO C[C@H](Oc1ccc(CC[NH3+])cc1Br)C(=O)N(C)C ZINC000062703811 184247921 /nfs/dbraw/zinc/24/79/21/184247921.db2.gz YLSPKWZFOHHICO-VIFPVBQESA-N 1 0 315.211 1.806 10 0 DDAERO O=S1(=O)CC[C@@H](NC2=[NH+][C@@H](Cc3ccccc3)CS2)C1 ZINC000063220199 184279507 /nfs/dbraw/zinc/27/95/07/184279507.db2.gz BRRHDUJSDPZSPJ-OLZOCXBDSA-N 1 0 310.444 1.477 10 0 DDAERO C[C@@H](C(=O)Nc1ccc(N)cc1Cl)N1CC[C@H]([NH+](C)C)C1 ZINC000062963765 184262803 /nfs/dbraw/zinc/26/28/03/184262803.db2.gz NAQFEVPKPXCXPA-JQWIXIFHSA-N 1 0 310.829 1.885 10 0 DDAERO C[C@H](C(=O)Nc1ccc(Cl)cc1N)N1CC[C@H]([NH+](C)C)C1 ZINC000062963760 184263108 /nfs/dbraw/zinc/26/31/08/184263108.db2.gz WAPGMBQLCIXFJS-PWSUYJOCSA-N 1 0 310.829 1.885 10 0 DDAERO Cc1ccsc1[C@@H]([C@H](C)[NH3+])N1CC[C@H](N2CCOCC2)C1 ZINC000062977923 184264355 /nfs/dbraw/zinc/26/43/55/184264355.db2.gz HNEOZTOFCLVNCX-SOUVJXGZSA-N 1 0 309.479 1.851 10 0 DDAERO C[NH2+][C@@](C)(CCSc1ccc(S(C)(=O)=O)cc1)C(N)=O ZINC000063131908 184272250 /nfs/dbraw/zinc/27/22/50/184272250.db2.gz AOULDSAGHQESEG-ZDUSSCGKSA-N 1 0 316.448 1.036 10 0 DDAERO CC[C@H](C)NC(=O)c1ccc(NC(=O)C[NH2+]CCOC)cc1 ZINC000066224587 184397704 /nfs/dbraw/zinc/39/77/04/184397704.db2.gz DWTPUBAMDXCTDU-LBPRGKRZSA-N 1 0 307.394 1.389 10 0 DDAERO CC[NH+](CC)CCN[C@@]1(C(=O)OC)CCO[C@H](C(C)C)C1 ZINC000069544882 184524710 /nfs/dbraw/zinc/52/47/10/184524710.db2.gz 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CC[C@@H](C(=O)N1CCO[C@@H](c2noc(C(C)C)n2)C1)[NH+](C)C ZINC000373050640 418924410 /nfs/dbraw/zinc/92/44/10/418924410.db2.gz AETVJRYLPMVIRJ-NWDGAFQWSA-N 1 0 310.398 1.433 10 0 DDAERO C[C@H](CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)c1ccsc1 ZINC000299740243 229373739 /nfs/dbraw/zinc/37/37/39/229373739.db2.gz XKOFUWOAUSLFNF-YPMHNXCESA-N 1 0 319.434 1.798 10 0 DDAERO C[C@@H]([NH2+]CC1(CO)COC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496158083 421141514 /nfs/dbraw/zinc/14/15/14/421141514.db2.gz YKRDFLDQMCPTEN-CHWSQXEVSA-N 1 0 314.426 1.230 10 0 DDAERO C[C@H]1CN(S(=O)(=O)c2cc(F)ccc2Cl)C[C@H]1C[NH3+] ZINC000631968355 421985575 /nfs/dbraw/zinc/98/55/75/421985575.db2.gz UKNQIKINCHCFBM-DTWKUNHWSA-N 1 0 306.790 1.694 10 0 DDAERO CO[C@H]1CN(Cc2ccncc2Br)[C@@](C)(C[NH3+])C1 ZINC000630366033 422053699 /nfs/dbraw/zinc/05/36/99/422053699.db2.gz JVSUNCOAISEUHR-DGCLKSJQSA-N 1 0 314.227 1.782 10 0 DDAERO [NH3+]C[C@H]1CN(c2cn[nH]c(=O)c2Cl)CC[C@@H]1C(F)(F)F ZINC000630528562 422157790 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C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000186865035 274306986 /nfs/dbraw/zinc/30/69/86/274306986.db2.gz MIJKBOQWNDCBDP-MFKMUULPSA-N 1 0 319.430 1.849 10 0 DDAERO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cn1 ZINC000261924698 276802441 /nfs/dbraw/zinc/80/24/41/276802441.db2.gz KVFJBNSKXRYZCQ-ARFHVFGLSA-N 1 0 304.438 1.394 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)C[C@@H]1CCCCO1 ZINC000189139425 279133292 /nfs/dbraw/zinc/13/32/92/279133292.db2.gz AWTDPBPRBZAOJV-KGLIPLIRSA-N 1 0 306.472 1.451 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)C[C@H]1CCCCO1 ZINC000245412945 279327954 /nfs/dbraw/zinc/32/79/54/279327954.db2.gz AQXZZVAPSKZHSC-UONOGXRCSA-N 1 0 304.456 1.301 10 0 DDAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000261757186 279653263 /nfs/dbraw/zinc/65/32/63/279653263.db2.gz NEOIPRRVPGASIM-DJIMGWMZSA-N 1 0 324.465 1.938 10 0 DDAERO COC(=O)N(C)CCCC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000119538441 281101735 /nfs/dbraw/zinc/10/17/35/281101735.db2.gz DJSOSPRJVPAHAZ-CQSZACIVSA-N 1 0 313.442 1.701 10 0 DDAERO CC[C@H]1CN(CC(=O)N2CCC(C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000105825662 281161205 /nfs/dbraw/zinc/16/12/05/281161205.db2.gz ICXNOYIJZSTTLH-CVEARBPZSA-N 1 0 311.470 1.022 10 0 DDAERO Ic1cnc(NC[C@@H]2CCC[NH2+]2)nc1 ZINC000126246344 281231970 /nfs/dbraw/zinc/23/19/70/281231970.db2.gz VRZWWQGSEQJDAJ-QMMMGPOBSA-N 1 0 304.135 1.245 10 0 DDAERO CCN(C)C(=O)CC[NH+]1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000130354028 281377682 /nfs/dbraw/zinc/37/76/82/281377682.db2.gz UWBPXPDHFCSVHI-UHFFFAOYSA-N 1 0 321.469 1.023 10 0 DDAERO CCC[C@@H](C(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1)[NH+](C)C ZINC000247879651 282073993 /nfs/dbraw/zinc/07/39/93/282073993.db2.gz ZUPUZQOQOFZZNL-RYUDHWBXSA-N 1 0 309.376 1.812 10 0 DDAERO Cc1nc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)sc1C ZINC000105872069 293329289 /nfs/dbraw/zinc/32/92/89/293329289.db2.gz NFYBYDYTHKBLFF-MWLCHTKSSA-N 1 0 320.422 1.283 10 0 DDAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CCN1c2ccccc2CCC1=O ZINC000238024815 295256466 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C[C@@H](C[NH3+])[S@@](=O)CCOc1ccc(Br)cc1 ZINC000088067653 185238645 /nfs/dbraw/zinc/23/86/45/185238645.db2.gz UETVYUWGWWOVJV-XXFAHNHDSA-N 1 0 306.225 1.924 10 0 DDAERO Nc1cccc(Cl)c1SC[C@H](O)CN1CC[NH2+]CC1 ZINC000088061998 185238653 /nfs/dbraw/zinc/23/86/53/185238653.db2.gz WOZHYQRPMWPMBH-SNVBAGLBSA-N 1 0 301.843 1.280 10 0 DDAERO CS(=O)(=O)CCn1c(N)[nH+]c2ccc(Br)cc21 ZINC000087837010 185233139 /nfs/dbraw/zinc/23/31/39/185233139.db2.gz HUCLGZOJPSCCKJ-UHFFFAOYSA-N 1 0 318.196 1.426 10 0 DDAERO CC[C@@H]1CN(c2nc(NN)[nH+]cc2Br)CCO1 ZINC000087854093 185233649 /nfs/dbraw/zinc/23/36/49/185233649.db2.gz UAAWCBZIYITSAY-SSDOTTSWSA-N 1 0 302.176 1.140 10 0 DDAERO CC[NH2+][C@@H]1CC(C)(C)Cc2c1cnn2[C@H]1CCS(=O)(=O)C1 ZINC000087861952 185233779 /nfs/dbraw/zinc/23/37/79/185233779.db2.gz PRQRYSGITMWPGY-WCQYABFASA-N 1 0 311.451 1.866 10 0 DDAERO COc1ccccc1C[C@H](C)N(C)S(=O)(=O)CCC[NH3+] ZINC000088196257 185241374 /nfs/dbraw/zinc/24/13/74/185241374.db2.gz BJCCAVNAMRIGHU-LBPRGKRZSA-N 1 0 300.424 1.237 10 0 DDAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC1CCC(CO)CC1 ZINC000181078915 539236953 /nfs/dbraw/zinc/23/69/53/539236953.db2.gz VQCYNPGVMWCVME-JCYILVPMSA-N 1 0 304.434 1.827 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)C(C)C ZINC000183668819 539243117 /nfs/dbraw/zinc/24/31/17/539243117.db2.gz CFLPUUWAXHDXGE-WMLDXEAASA-N 1 0 319.449 1.841 10 0 DDAERO COc1ccc(Br)c(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000088321330 185245471 /nfs/dbraw/zinc/24/54/71/185245471.db2.gz YDNDNIRJDMHRFO-RDDDGLTNSA-N 1 0 315.167 1.119 10 0 DDAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cnn(C)c1N ZINC000186246729 539247422 /nfs/dbraw/zinc/24/74/22/539247422.db2.gz JBLBFAIRAUQQFI-LBPRGKRZSA-N 1 0 301.394 1.253 10 0 DDAERO CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1S(=O)(=O)CC(=O)OC ZINC000081976588 192348614 /nfs/dbraw/zinc/34/86/14/192348614.db2.gz OYUVSNBYTULABC-DZGCQCFKSA-N 1 0 311.403 1.240 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1C)C(C)C ZINC000183651942 539242495 /nfs/dbraw/zinc/24/24/95/539242495.db2.gz IKWVPHYMCVCMGF-CQSZACIVSA-N 1 0 311.813 1.947 10 0 DDAERO CN(CCC(F)(F)F)S(=O)(=O)c1cccc(F)c1C[NH3+] ZINC000088419111 185249401 /nfs/dbraw/zinc/24/94/01/185249401.db2.gz XQRFLGBQWDECGQ-UHFFFAOYSA-N 1 0 314.304 1.857 10 0 DDAERO CC(C)[NH+](CCNS(=O)(=O)c1ccc(C=O)o1)C(C)C ZINC000088541028 185255964 /nfs/dbraw/zinc/25/59/64/185255964.db2.gz SNZDUQATHOMTKO-UHFFFAOYSA-N 1 0 302.396 1.489 10 0 DDAERO CCOCCCNS(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000088542145 185256405 /nfs/dbraw/zinc/25/64/05/185256405.db2.gz QMWNZKYZSUKMDL-UHFFFAOYSA-N 1 0 318.439 1.873 10 0 DDAERO COCc1ccccc1C[NH2+]CC(C)(C)NS(C)(=O)=O ZINC000088557394 185257837 /nfs/dbraw/zinc/25/78/37/185257837.db2.gz JLFWOBDDAQTAGY-UHFFFAOYSA-N 1 0 300.424 1.250 10 0 DDAERO Cc1nnc2sc(C(=O)NCCC[NH+](C)C)c(N)c2c1C ZINC000088639616 185260808 /nfs/dbraw/zinc/26/08/08/185260808.db2.gz FUWKPVOWBWLKMR-UHFFFAOYSA-N 1 0 307.423 1.572 10 0 DDAERO COC[C@@H]1CN(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)C[C@@H](C)O1 ZINC000251986907 282207448 /nfs/dbraw/zinc/20/74/48/282207448.db2.gz VSXFYGUJOZNUKG-APIJFGDWSA-N 1 0 313.442 1.160 10 0 DDAERO CC[NH+](CC)CCSCc1nc2c(cnn2C)c(NC)n1 ZINC000088734545 185263629 /nfs/dbraw/zinc/26/36/29/185263629.db2.gz KKIXLRPQUMQBDH-UHFFFAOYSA-N 1 0 308.455 1.980 10 0 DDAERO CN1C(=O)C[C@@H]([NH2+]C[C@H](O)c2cc(Cl)ccc2Cl)C1=O ZINC000088778011 185265396 /nfs/dbraw/zinc/26/53/96/185265396.db2.gz SJLYDMLSKPITIC-MNOVXSKESA-N 1 0 317.172 1.374 10 0 DDAERO CC[C@@H]1CN(C(=O)N[C@H](C)[C@@H]2CCCO2)CC[N@@H+]1C[C@H](C)O ZINC000248458748 539272055 /nfs/dbraw/zinc/27/20/55/539272055.db2.gz QPQYRYNYRCTBNB-YJNKXOJESA-N 1 0 313.442 1.041 10 0 DDAERO CC(C)[C@@H]1C[NH2+]C2(CCCCC2)CN1[C@H]1C=CS(=O)(=O)C1 ZINC000088860401 185267435 /nfs/dbraw/zinc/26/74/35/185267435.db2.gz ZBJJGUAYOLSGIO-GJZGRUSLSA-N 1 0 312.479 1.930 10 0 DDAERO CC[NH2+][C@@H]1CCC2(C[C@H]1S(=O)(=O)C1CCCC1)OCCO2 ZINC000081988463 192350355 /nfs/dbraw/zinc/35/03/55/192350355.db2.gz OWQHUOCIPHNBRS-ZIAGYGMSSA-N 1 0 317.451 1.618 10 0 DDAERO C[NH2+][C@@H](C[S@](=O)CCCOC)c1ccc2c(c1)OCCO2 ZINC000081999400 192353476 /nfs/dbraw/zinc/35/34/76/192353476.db2.gz PZHKPQWRXQLTBW-ZSEKCTLFSA-N 1 0 313.419 1.504 10 0 DDAERO C[C@@H]([NH2+]C[C@](C)(O)CO)c1ccc(F)c(Br)c1 ZINC000090285136 185289392 /nfs/dbraw/zinc/28/93/92/185289392.db2.gz AIWGPKXEEGVXJP-PELKAZGASA-N 1 0 306.175 1.982 10 0 DDAERO COc1cc(Cl)ccc1C(=O)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308817 185290112 /nfs/dbraw/zinc/29/01/12/185290112.db2.gz UIHIOJILOSLOOY-UHFFFAOYSA-N 1 0 309.797 1.078 10 0 DDAERO O=C(c1cc2ccccc2s1)N1CCN(C2C[NH2+]C2)CC1 ZINC000090307068 185290147 /nfs/dbraw/zinc/29/01/47/185290147.db2.gz LSOSDJAXUDAGSV-UHFFFAOYSA-N 1 0 301.415 1.631 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1C ZINC000090312711 185290612 /nfs/dbraw/zinc/29/06/12/185290612.db2.gz WVFFIHJPDTVDQI-WZRBSPASSA-N 1 0 318.826 1.431 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1ccccc1Cl ZINC000090336918 185291876 /nfs/dbraw/zinc/29/18/76/185291876.db2.gz ZGDYXZIEKNXYOA-MNOVXSKESA-N 1 0 314.838 1.959 10 0 DDAERO CCc1ccc(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@@H]3C2(C)C)cc1 ZINC000090337102 185291965 /nfs/dbraw/zinc/29/19/65/185291965.db2.gz VZSWJKQCOWEWRI-ZFWWWQNUSA-N 1 0 308.447 1.868 10 0 DDAERO C[C@H](C[NH3+])CSCCOc1ccc(S(N)(=O)=O)cc1 ZINC000090350950 185292204 /nfs/dbraw/zinc/29/22/04/185292204.db2.gz JDFFYOQEHRBGFR-SNVBAGLBSA-N 1 0 304.437 1.041 10 0 DDAERO [NH3+][C@@H]1COC[C@@H]1C(=O)NCc1cc(F)ccc1Br ZINC000090383107 185293815 /nfs/dbraw/zinc/29/38/15/185293815.db2.gz PAOMUQQWIPGWLN-GXSJLCMTSA-N 1 0 317.158 1.178 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1cc(Br)ccc1C ZINC000090433740 185296143 /nfs/dbraw/zinc/29/61/43/185296143.db2.gz ANQGYWQOBQPZKH-PWSUYJOCSA-N 1 0 313.195 1.930 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000090433070 185296410 /nfs/dbraw/zinc/29/64/10/185296410.db2.gz VFOUDIFCLLSSEM-JHJVBQTASA-N 1 0 310.394 1.713 10 0 DDAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@H]1COC[C@@H]1[NH2+]C ZINC000090437822 185296459 /nfs/dbraw/zinc/29/64/59/185296459.db2.gz GJAGUEOWESQCED-QWRGUYRKSA-N 1 0 312.391 1.406 10 0 DDAERO CC(=O)Nc1ccc(NC(=O)[C@]2(C)COC[C@H]2[NH3+])cc1Cl ZINC000090586648 185305103 /nfs/dbraw/zinc/30/51/03/185305103.db2.gz QBNQDOJBNAMGRT-TZMCWYRMSA-N 1 0 311.769 1.601 10 0 DDAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N(CCOC)C(CC)CC ZINC000090541960 185301777 /nfs/dbraw/zinc/30/17/77/185301777.db2.gz UJVXFBMUCMPKPG-LSDHHAIUSA-N 1 0 300.443 1.665 10 0 DDAERO CCCCCCN(CCO)C(=O)[C@@H]1COC[C@@H]1[NH2+]CCC ZINC000090542237 185301881 /nfs/dbraw/zinc/30/18/81/185301881.db2.gz RACOCMHGWIXKRF-CABCVRRESA-N 1 0 300.443 1.402 10 0 DDAERO C[C@]1(C(=O)Nc2cccc(OC(F)(F)F)c2)COC[C@H]1[NH3+] ZINC000090581359 185304756 /nfs/dbraw/zinc/30/47/56/185304756.db2.gz HFHYICILYYJTCA-PWSUYJOCSA-N 1 0 304.268 1.888 10 0 DDAERO CCC[NH2+]CCCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C ZINC000092320416 185312170 /nfs/dbraw/zinc/31/21/70/185312170.db2.gz LTQHZHUTEZSVJA-CQSZACIVSA-N 1 0 313.467 1.792 10 0 DDAERO O=C([C@@H]1CCCN1Cc1cccc(Cl)n1)N1CC[NH2+]CC1 ZINC000092366698 185314307 /nfs/dbraw/zinc/31/43/07/185314307.db2.gz WQYGRLNNPVQOFY-ZDUSSCGKSA-N 1 0 308.813 1.131 10 0 DDAERO COc1c(C[N@H+](C)C[C@H]2CCc3nccn3C2)c(C)nn1C ZINC000328639484 539298189 /nfs/dbraw/zinc/29/81/89/539298189.db2.gz POLPTCIDNVYCFH-CYBMUJFWSA-N 1 0 303.410 1.628 10 0 DDAERO Cc1ccc(N)c(C)c1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000092622540 185329839 /nfs/dbraw/zinc/32/98/39/185329839.db2.gz JGCZKWZCDKFYIY-ZDUSSCGKSA-N 1 0 311.451 1.600 10 0 DDAERO Cc1ccc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1CO ZINC000092678292 185333615 /nfs/dbraw/zinc/33/36/15/185333615.db2.gz SJDHRHASXVKMTR-CQSZACIVSA-N 1 0 312.435 1.202 10 0 DDAERO C[NH2+]C[C@H]1CCCN(S(=O)(=O)NC2C(C)(C)C2(C)C)C1 ZINC000092833326 185344963 /nfs/dbraw/zinc/34/49/63/185344963.db2.gz CRQCEEYPRYZQFN-LLVKDONJSA-N 1 0 303.472 1.187 10 0 DDAERO CCn1cnc(S(=O)(=O)N2CCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC000092910058 185348593 /nfs/dbraw/zinc/34/85/93/185348593.db2.gz KJSDBVVTIFGFCT-CYBMUJFWSA-N 1 0 312.439 1.056 10 0 DDAERO CCn1c(=O)[nH]nc1S[C@H]1Cc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092860714 185347250 /nfs/dbraw/zinc/34/72/50/185347250.db2.gz QHQGOWFZEXKBRG-RYUDHWBXSA-N 1 0 306.391 1.317 10 0 DDAERO COC[C@H](CO)[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000300398125 282380536 /nfs/dbraw/zinc/38/05/36/282380536.db2.gz HZFCWCVUEIQXSE-IHRRRGAJSA-N 1 0 316.442 1.619 10 0 DDAERO C[C@H]1CCC[C@](C[NH3+])(NS(=O)(=O)CCc2ccncc2)C1 ZINC000111373931 185590107 /nfs/dbraw/zinc/59/01/07/185590107.db2.gz FRHPSZFPXVPJFS-ZFWWWQNUSA-N 1 0 311.451 1.451 10 0 DDAERO CN(c1cccc(Cl)c1CC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000111480496 185607948 /nfs/dbraw/zinc/60/79/48/185607948.db2.gz NHIMBYUOQNNJKF-SNVBAGLBSA-N 1 0 302.827 1.465 10 0 DDAERO CCC[NH2+][C@H](C)[C@H]1CCCCN1S(=O)(=O)N(C)C(C)C ZINC000111715754 185630168 /nfs/dbraw/zinc/63/01/68/185630168.db2.gz MWGQFTUVCGXSRP-ZIAGYGMSSA-N 1 0 305.488 1.814 10 0 DDAERO COCCCS(=O)(=O)N1CCCC[C@@H]1C[NH2+]C(C)(C)C ZINC000111721091 185631382 /nfs/dbraw/zinc/63/13/82/185631382.db2.gz QFGGWPSMUGZVCK-CYBMUJFWSA-N 1 0 306.472 1.595 10 0 DDAERO CCCn1cnc(C2CC[NH2+]CC2)c(Br)c1=O ZINC000725243439 539568430 /nfs/dbraw/zinc/56/84/30/539568430.db2.gz GGDRAVRTIAFIKH-UHFFFAOYSA-N 1 0 300.200 1.883 10 0 DDAERO COC(=O)c1cnc2c(cnn2C2C[NH2+]C2)c1Br ZINC000725258976 539570124 /nfs/dbraw/zinc/57/01/24/539570124.db2.gz KTQVYIZATWFVTB-UHFFFAOYSA-N 1 0 311.139 1.125 10 0 DDAERO C[N@@H+]1CCC[C@@H](n2ncc(I)c2N)CC1 ZINC000083419286 192371137 /nfs/dbraw/zinc/37/11/37/192371137.db2.gz CFTUVHCXPDFYQJ-MRVPVSSYSA-N 1 0 320.178 1.727 10 0 DDAERO C[C@@H]1CCC[C@@H](C[NH3+])N1S(=O)(=O)c1ccc(F)c(F)c1F ZINC000070153868 190863634 /nfs/dbraw/zinc/86/36/34/190863634.db2.gz AESIVIYAORPKOD-BDAKNGLRSA-N 1 0 322.352 1.994 10 0 DDAERO Cc1nc(S(=O)(=O)NCc2ccccc2C[NH+](C)C)c[nH]1 ZINC000070420694 190888697 /nfs/dbraw/zinc/88/86/97/190888697.db2.gz NSNBCLZCHLFOFN-UHFFFAOYSA-N 1 0 308.407 1.258 10 0 DDAERO [NH3+]CCc1ccc(S(=O)(=O)N[C@H]2COc3ccccc32)s1 ZINC000070531095 190905079 /nfs/dbraw/zinc/90/50/79/190905079.db2.gz IJTMARCKNWORNU-LBPRGKRZSA-N 1 0 324.427 1.661 10 0 DDAERO CC[NH+](CC)CCCNC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000083692440 192378702 /nfs/dbraw/zinc/37/87/02/192378702.db2.gz SAORHAARFJUEIJ-ZDUSSCGKSA-N 1 0 308.430 1.453 10 0 DDAERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCc2ccnn2C)cc1 ZINC000071335996 190959691 /nfs/dbraw/zinc/95/96/91/190959691.db2.gz UUEYIFYATPZSEJ-NSHDSACASA-N 1 0 308.407 1.179 10 0 DDAERO C[NH2+]CCS(=O)(=O)Nc1ccc(Br)c(F)c1 ZINC000083826709 192385793 /nfs/dbraw/zinc/38/57/93/192385793.db2.gz HEYLNZVYKPWJLE-UHFFFAOYSA-N 1 0 311.176 1.549 10 0 DDAERO CCC[NH2+][C@H](CC)C[S@@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084056104 192397905 /nfs/dbraw/zinc/39/79/05/192397905.db2.gz ZUCIUFWGPTXXHL-BLVKFPJESA-N 1 0 317.476 1.976 10 0 DDAERO CC[NH2+][C@H](CC)C[S@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084055510 192398072 /nfs/dbraw/zinc/39/80/72/192398072.db2.gz DUIVNQMNMJLHCE-ADLMAVQZSA-N 1 0 303.449 1.586 10 0 DDAERO CN1C[C@H]([NH2+]Cc2ccc(O)c(Br)c2)CCC1=O ZINC000084063467 192399236 /nfs/dbraw/zinc/39/92/36/192399236.db2.gz JLEMQNDTRBANIM-SNVBAGLBSA-N 1 0 313.195 1.865 10 0 DDAERO COc1cccc(CO[C@H](C)C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170866270 197840865 /nfs/dbraw/zinc/84/08/65/197840865.db2.gz HRSULXHHAKEOSJ-HIFRSBDPSA-N 1 0 306.406 1.763 10 0 DDAERO CC[NH+]1CCN(Cc2nc3cc4c(cc3[nH]2)OCCO4)CC1 ZINC000071665640 191001771 /nfs/dbraw/zinc/00/17/71/191001771.db2.gz KIGRRZBXVDRFBV-UHFFFAOYSA-N 1 0 302.378 1.472 10 0 DDAERO CC(=O)N[C@H](CC(=O)N[C@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000236731075 201984821 /nfs/dbraw/zinc/98/48/21/201984821.db2.gz XDNBYWFSPANXKZ-OWCLPIDISA-N 1 0 303.406 1.498 10 0 DDAERO CN(C)c1cccc(NC(=O)Cc2csc(CC[NH3+])n2)c1 ZINC000071695621 191008015 /nfs/dbraw/zinc/00/80/15/191008015.db2.gz MGUZMCLRTAPDIJ-UHFFFAOYSA-N 1 0 304.419 1.892 10 0 DDAERO Cc1cc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1C(=O)N(C)C ZINC000152535015 186082598 /nfs/dbraw/zinc/08/25/98/186082598.db2.gz MUURRRAHZXUVAF-CQSZACIVSA-N 1 0 318.421 1.865 10 0 DDAERO CCN(C)[C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171480384 186166433 /nfs/dbraw/zinc/16/64/33/186166433.db2.gz JZFQNLURJZGMMN-IAGOWNOFSA-N 1 0 301.434 1.986 10 0 DDAERO Cc1cc(N2CCO[C@H](C[NH+](C)C)C2)nc(-c2cccnc2)n1 ZINC000171545898 197939616 /nfs/dbraw/zinc/93/96/16/197939616.db2.gz WYMBACWFHVBXFG-OAHLLOKOSA-N 1 0 313.405 1.614 10 0 DDAERO C[C@H]1CN(C(=O)c2cc3ccccn3c2)C[C@@H]1N1CCOCC1 ZINC000173416964 198211664 /nfs/dbraw/zinc/21/16/64/198211664.db2.gz KXSSUPPJEWGDSS-YOEHRIQHSA-N 1 0 313.401 1.732 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCc2cccs2)C[C@@H]1C ZINC000174340588 198321845 /nfs/dbraw/zinc/32/18/45/198321845.db2.gz JBEQHZJBBOQYPC-UONOGXRCSA-N 1 0 310.463 1.984 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)NC(=O)Nc2ccccc2)C1 ZINC000174583792 198355360 /nfs/dbraw/zinc/35/53/60/198355360.db2.gz LWSLEBRXQZGUKR-CQSZACIVSA-N 1 0 318.421 1.749 10 0 DDAERO CCOC(=O)c1ccc(N2CC[N@H+](CCOC)[C@H](CC)C2)nc1 ZINC000174736613 198378416 /nfs/dbraw/zinc/37/84/16/198378416.db2.gz GNNMIJWSEZMQHU-OAHLLOKOSA-N 1 0 321.421 1.805 10 0 DDAERO CO[C@@]1(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCOC1 ZINC000277099383 213292806 /nfs/dbraw/zinc/29/28/06/213292806.db2.gz GWMQETRMIWTSSR-WMZOPIPTSA-N 1 0 318.417 1.525 10 0 DDAERO COCC[N@@H+]1CC[C@@H](Cn2nc(CC(N)=O)c3ccccc32)C1 ZINC000117729746 353995332 /nfs/dbraw/zinc/99/53/32/353995332.db2.gz NVCXKVDHEQVNSP-CYBMUJFWSA-N 1 0 316.405 1.032 10 0 DDAERO C[C@@H]([NH3+])[C@@H](O)c1ncc(Br)cc1Br ZINC000129036182 354078197 /nfs/dbraw/zinc/07/81/97/354078197.db2.gz ITJJMFNGAAADBP-SPGJFGJESA-N 1 0 309.989 1.987 10 0 DDAERO [NH3+]C[C@H]1CCCCN1c1ncc(I)cn1 ZINC000126243074 354052026 /nfs/dbraw/zinc/05/20/26/354052026.db2.gz FNYZJYPIDCJDLU-SECBINFHSA-N 1 0 318.162 1.399 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)NCCCSC)C[C@H]1CC ZINC000153505895 354200088 /nfs/dbraw/zinc/20/00/88/354200088.db2.gz XMDYFOCJTFQBDH-CQSZACIVSA-N 1 0 317.499 1.882 10 0 DDAERO 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CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC[NH3+] ZINC000236959935 202096295 /nfs/dbraw/zinc/09/62/95/202096295.db2.gz RTDUKMLVWDSODR-GXFFZTMASA-N 1 0 311.813 1.559 10 0 DDAERO C[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1[C@@H]1CCS(=O)(=O)C1 ZINC000086181132 192551469 /nfs/dbraw/zinc/55/14/69/192551469.db2.gz SJPGTPSNBNLYFG-YUELXQCFSA-N 1 0 300.468 1.416 10 0 DDAERO COc1ccc(CN(C)C(=O)C[C@@H]2CSCC[NH2+]2)c(OC)c1 ZINC000237261608 202209458 /nfs/dbraw/zinc/20/94/58/202209458.db2.gz OISCNNYSCOOYAZ-CYBMUJFWSA-N 1 0 324.446 1.757 10 0 DDAERO CC[C@@H]1CCCN1S(=O)(=O)c1c(C)nn(CC[NH2+]C)c1C ZINC000088972742 192675659 /nfs/dbraw/zinc/67/56/59/192675659.db2.gz VCFLZIXYZPJYQV-CYBMUJFWSA-N 1 0 314.455 1.282 10 0 DDAERO CC[C@@H]1CO[C@H](C)CN1S(=O)(=O)c1cc(C)c(C[NH3+])s1 ZINC000088990834 192684627 /nfs/dbraw/zinc/68/46/27/192684627.db2.gz PULSSKYQMIWEOA-GHMZBOCLSA-N 1 0 318.464 1.703 10 0 DDAERO CC[NH2+]Cc1csc(S(=O)(=O)N2CCCSCC2)c1 ZINC000088988428 192684840 /nfs/dbraw/zinc/68/48/40/192684840.db2.gz MSFWGYDPFNDRRJ-UHFFFAOYSA-N 1 0 320.505 1.985 10 0 DDAERO CCOc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1C[NH2+]C ZINC000088978425 192679353 /nfs/dbraw/zinc/67/93/53/192679353.db2.gz YUCNGHNQGLGQJB-NSHDSACASA-N 1 0 300.424 1.882 10 0 DDAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)C1CC[NH2+]CC1 ZINC000237420077 202261456 /nfs/dbraw/zinc/26/14/56/202261456.db2.gz ZHYFPTZBZZTHOT-LBPRGKRZSA-N 1 0 304.394 1.407 10 0 DDAERO CCC[NH2+]Cc1ccc(CS(=O)(=O)NCCOC)cc1 ZINC000089025465 192705348 /nfs/dbraw/zinc/70/53/48/192705348.db2.gz PKEYTYQDVVXINM-UHFFFAOYSA-N 1 0 300.424 1.252 10 0 DDAERO CCn1nc(C[C@H]([NH3+])[C@H]2CCS(=O)(=O)C2)c2ccccc21 ZINC000089180394 192740083 /nfs/dbraw/zinc/74/00/83/192740083.db2.gz MRJSOBSMHGDJFN-AAEUAGOBSA-N 1 0 307.419 1.361 10 0 DDAERO CCc1nn(C)c(CN2CCC[C@@H]2C[NH2+]C)c1Br ZINC000089320525 192767153 /nfs/dbraw/zinc/76/71/53/192767153.db2.gz XCXXWLOFAGUYSJ-SNVBAGLBSA-N 1 0 315.259 1.929 10 0 DDAERO CCn1nc(C)c(Br)c1C[C@@]1(O)CCC[NH2+]C1 ZINC000089282432 192757798 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CC[C@H](C[NH3+])N1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000090802580 192935560 /nfs/dbraw/zinc/93/55/60/192935560.db2.gz JQCUOOQXIDOSTF-GFCCVEGCSA-N 1 0 302.344 1.960 10 0 DDAERO CCCCOC[C@@H](O)C[NH+]1CCN([C@H](C)c2cccnc2)CC1 ZINC000195178734 201353719 /nfs/dbraw/zinc/35/37/19/201353719.db2.gz OFMPCWGRKSMNNO-AEFFLSMTSA-N 1 0 321.465 1.938 10 0 DDAERO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccn1)[C@H]1CCCO1 ZINC000107389020 296056643 /nfs/dbraw/zinc/05/66/43/296056643.db2.gz LUONQXSHRNFQNY-GDBMZVCRSA-N 1 0 320.437 1.722 10 0 DDAERO CCC[NH2+]CCCCN1CCSC[C@@H]1S(=O)(=O)CC ZINC000090928195 192950506 /nfs/dbraw/zinc/95/05/06/192950506.db2.gz PHIARDIYHKWQFD-ZDUSSCGKSA-N 1 0 308.513 1.576 10 0 DDAERO COc1cccc(NC(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000247081092 202642377 /nfs/dbraw/zinc/64/23/77/202642377.db2.gz HUUDVRRPCFRCRQ-HIFRSBDPSA-N 1 0 303.406 1.802 10 0 DDAERO CS(=O)(=O)CCn1ncc(C[NH2+]C2CC2)c1C(F)(F)F ZINC000091339632 193042990 /nfs/dbraw/zinc/04/29/90/193042990.db2.gz XYFUHEBLJTYVSB-UHFFFAOYSA-N 1 0 311.329 1.199 10 0 DDAERO C[NH+](C)[C@H]1CCCN(CC(=O)Nc2ccc(N)cc2Cl)C1 ZINC000091395152 193050207 /nfs/dbraw/zinc/05/02/07/193050207.db2.gz ICGLNRSTYPMIHD-LBPRGKRZSA-N 1 0 310.829 1.887 10 0 DDAERO CCNc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000091432435 193054970 /nfs/dbraw/zinc/05/49/70/193054970.db2.gz QGLSMXPEORGBRO-GFCCVEGCSA-N 1 0 312.439 1.228 10 0 DDAERO C[C@](O)(C[NH3+])Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000091523271 193068878 /nfs/dbraw/zinc/06/88/78/193068878.db2.gz FKFHRNKLDOOWBE-SNVBAGLBSA-N 1 0 308.691 1.654 10 0 DDAERO CC[C@@](C)([C@@H](CCCS(=O)(=O)CC)[NH2+]C)N1CCOCC1 ZINC000091612257 193079265 /nfs/dbraw/zinc/07/92/65/193079265.db2.gz BECGTHMSOMIKQR-CABCVRRESA-N 1 0 320.499 1.290 10 0 DDAERO CCC[NH2+]C[C@H](O)Cc1c(Br)c(C)nn1CC ZINC000091466555 193060833 /nfs/dbraw/zinc/06/08/33/193060833.db2.gz DLGHVODPYPEMLV-SNVBAGLBSA-N 1 0 304.232 1.877 10 0 DDAERO CCN1CCO[C@H](COc2c(Cl)cc(C[NH3+])cc2OC)C1 ZINC000092050983 193148370 /nfs/dbraw/zinc/14/83/70/193148370.db2.gz LZKWBNVIAATDGQ-LBPRGKRZSA-N 1 0 314.813 1.907 10 0 DDAERO COC(C[NH2+]Cc1cnc2cnc(Br)cn12)OC ZINC000092049489 193148642 /nfs/dbraw/zinc/14/86/42/193148642.db2.gz MTOJWAZENYCKIS-UHFFFAOYSA-N 1 0 315.171 1.200 10 0 DDAERO C[C@H](NC(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1)c1nnc2n1CCC2 ZINC000359220642 299361966 /nfs/dbraw/zinc/36/19/66/299361966.db2.gz FWBMTOVGNGJGAZ-SDDRHHMPSA-N 1 0 306.414 1.067 10 0 DDAERO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(OCCCOC)c1 ZINC000092100211 193157814 /nfs/dbraw/zinc/15/78/14/193157814.db2.gz GMQTZSHHTUSITM-MRXNPFEDSA-N 1 0 306.406 1.812 10 0 DDAERO CC[NH2+]Cc1c(C)[nH]nc1S(=O)(=O)N1C[C@H](C)[C@H](C)C1 ZINC000092113683 193161248 /nfs/dbraw/zinc/16/12/48/193161248.db2.gz VLMRASKJCDNKBU-AOOOYVTPSA-N 1 0 300.428 1.104 10 0 DDAERO CCC[NH2+]CC1CCN(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)CC1 ZINC000092113643 193161576 /nfs/dbraw/zinc/16/15/76/193161576.db2.gz AQZMJURSGZXGCG-KBPBESRZSA-N 1 0 317.499 1.531 10 0 DDAERO CSc1ccccc1C(=O)NC1(C(N)=S)CC[NH+](C)CC1 ZINC000092213400 193173689 /nfs/dbraw/zinc/17/36/89/193173689.db2.gz LTIDVXTUMUHTHD-UHFFFAOYSA-N 1 0 323.487 1.889 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000253542907 202899310 /nfs/dbraw/zinc/89/93/10/202899310.db2.gz JDYROSFCPCPBEH-JSGCOSHPSA-N 1 0 315.417 1.975 10 0 DDAERO Cn1cc(Br)cc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261589261 203078436 /nfs/dbraw/zinc/07/84/36/203078436.db2.gz WEUBCCOMIBXNGQ-LSJOCFKGSA-N 1 0 312.211 1.597 10 0 DDAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2cc(F)cc(F)c2)cn1 ZINC000261879885 203143142 /nfs/dbraw/zinc/14/31/42/203143142.db2.gz FDZVILLIZHOZTO-KGLIPLIRSA-N 1 0 306.316 1.640 10 0 DDAERO Cc1ccccc1[C@@H](C)NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261932175 203156150 /nfs/dbraw/zinc/15/61/50/203156150.db2.gz LTGQQAOFAZBQGF-XYPHTWIQSA-N 1 0 312.417 1.909 10 0 DDAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCc2cccc(F)c2)cn1 ZINC000262013248 203173327 /nfs/dbraw/zinc/17/33/27/203173327.db2.gz VUGZEBCBLCYMKG-CABCVRRESA-N 1 0 302.353 1.179 10 0 DDAERO C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccccc1OC(F)F ZINC000262134881 203208341 /nfs/dbraw/zinc/20/83/41/203208341.db2.gz WTUZUFKPPUGJRP-BREBYQMCSA-N 1 0 314.332 1.972 10 0 DDAERO COCC[NH2+]C[C@@H](c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000093148045 193207919 /nfs/dbraw/zinc/20/79/19/193207919.db2.gz CTCXRFNFYALXND-HIFRSBDPSA-N 1 0 315.410 1.580 10 0 DDAERO CCOC(OCC)[C@@H]([NH3+])Cc1c(Br)c(C)nn1C ZINC000093306620 193227569 /nfs/dbraw/zinc/22/75/69/193227569.db2.gz UXCXAMAFPJWWTC-VIFPVBQESA-N 1 0 320.231 1.760 10 0 DDAERO NC(=O)N[C@H](CC(=O)N[C@@H]1CCCC[C@H]1C[NH3+])c1cccs1 ZINC000262615842 203352067 /nfs/dbraw/zinc/35/20/67/203352067.db2.gz HCFJOQNYHDZZSA-QJPTWQEYSA-N 1 0 324.450 1.481 10 0 DDAERO CC(C)[NH2+]C[C@H](C)S(=O)(=O)N(C)CCc1cccs1 ZINC000093294795 193226162 /nfs/dbraw/zinc/22/61/62/193226162.db2.gz SSABFHJMZDUEDU-LBPRGKRZSA-N 1 0 304.481 1.939 10 0 DDAERO COCCN1C(=[NH2+])NC[C@]1(C)c1cccc(Br)c1 ZINC000093380261 193241237 /nfs/dbraw/zinc/24/12/37/193241237.db2.gz UUGVZHYZPQHNAF-CYBMUJFWSA-N 1 0 312.211 1.941 10 0 DDAERO CC(C)[C@H]([NH3+])C(=O)NCc1ccnc(OC2CCOCC2)c1 ZINC000262705770 203387088 /nfs/dbraw/zinc/38/70/88/203387088.db2.gz LZJXRNCJMSSCTL-HNNXBMFYSA-N 1 0 307.394 1.239 10 0 DDAERO O=C(NCc1ccnc(OC2CCOCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000262708595 203388983 /nfs/dbraw/zinc/38/89/83/203388983.db2.gz NYUPANWELMCJTI-AWEZNQCLSA-N 1 0 305.378 1.008 10 0 DDAERO CCCN[C@@]1(C(=O)OC)CCC[C@@H]1CC[N@H+](C)CCOC ZINC000093592050 193271110 /nfs/dbraw/zinc/27/11/10/193271110.db2.gz MQSNTNMJHMLFKJ-ZBFHGGJFSA-N 1 0 300.443 1.666 10 0 DDAERO CC(C)[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCSc1cnn(C)c1 ZINC000093630124 193276788 /nfs/dbraw/zinc/27/67/88/193276788.db2.gz RFUVIXJYXSODJP-IUODEOHRSA-N 1 0 310.467 1.925 10 0 DDAERO COCCCSCC[C@H]1CCC[C@@]1([NH2+]C1CC1)C(N)=O ZINC000093631071 193277451 /nfs/dbraw/zinc/27/74/51/193277451.db2.gz RXZTZTYISRZOKZ-DOMZBBRYSA-N 1 0 300.468 1.922 10 0 DDAERO CC(C)[N@H+](CCC(N)=S)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697299 193292380 /nfs/dbraw/zinc/29/23/80/193292380.db2.gz PJDWKDGMAWQNLW-LBPRGKRZSA-N 1 0 321.512 1.045 10 0 DDAERO CS(=O)(=O)N1CCC[C@H](CSc2cccc(C[NH3+])c2)C1 ZINC000093702067 193294685 /nfs/dbraw/zinc/29/46/85/193294685.db2.gz HHVKTPASIHRYTN-ZDUSSCGKSA-N 1 0 314.476 1.909 10 0 DDAERO CCN[C@]1(C(=O)OCC)CCC[C@@H]([N@H+](C)[C@@H](C)COC)C1 ZINC000093751511 193300063 /nfs/dbraw/zinc/30/00/63/193300063.db2.gz VUZFZDDIEFXIKG-SQWLQELKSA-N 1 0 300.443 1.807 10 0 DDAERO CCN[C@]1(C(=O)OCC)CCC[C@H]([N@H+](CC)CCOC)C1 ZINC000093752015 193300331 /nfs/dbraw/zinc/30/03/31/193300331.db2.gz ROFNMHXTQVYOOM-GOEBONIOSA-N 1 0 300.443 1.809 10 0 DDAERO NC(=O)[C@]1([NH3+])CCC[C@H](Sc2nnc3n2CCCCC3)C1 ZINC000093777759 193305164 /nfs/dbraw/zinc/30/51/64/193305164.db2.gz JMVSZXYOEYTKED-HZMBPMFUSA-N 1 0 309.439 1.222 10 0 DDAERO Cc1nnc(S[C@@H]2CCC[C@]([NH2+]C(C)C)(C(N)=O)C2)n1C ZINC000093780020 193305687 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CCc1nn(CC)c(C[C@@H](O)[C@H]2C[N@H+](C)CCN2C)c1Cl ZINC000093893705 193323658 /nfs/dbraw/zinc/32/36/58/193323658.db2.gz OUXNKPRLSAUHRN-ZIAGYGMSSA-N 1 0 314.861 1.268 10 0 DDAERO CN(CCS(C)(=O)=O)[C@H](C[NH3+])c1cccc2cccnc21 ZINC000094297903 193357236 /nfs/dbraw/zinc/35/72/36/193357236.db2.gz FRFYKBSDCXHFKS-CQSZACIVSA-N 1 0 307.419 1.211 10 0 DDAERO CCCOc1ccc([C@@H]([NH3+])CN(C)CCS(C)(=O)=O)cc1 ZINC000094298268 193357558 /nfs/dbraw/zinc/35/75/58/193357558.db2.gz FNSNFZXBLHGYCC-HNNXBMFYSA-N 1 0 314.451 1.452 10 0 DDAERO CN(CCS(C)(=O)=O)C[C@@]1(C[NH2+]C(C)(C)C)CCCOC1 ZINC000094300593 193358495 /nfs/dbraw/zinc/35/84/95/193358495.db2.gz QZWFXHZQXGFGRI-HNNXBMFYSA-N 1 0 320.499 1.148 10 0 DDAERO C[NH+]1CCC(Oc2nc(C(F)(F)F)ccc2C(N)=O)CC1 ZINC000094335734 193360130 /nfs/dbraw/zinc/36/01/30/193360130.db2.gz VEZVINCHPHXFSV-UHFFFAOYSA-N 1 0 303.284 1.672 10 0 DDAERO C[N@@H+]1CCC[C@H](Nc2nc(C(F)(F)F)ccc2C(N)=O)C1 ZINC000094335045 193360134 /nfs/dbraw/zinc/36/01/34/193360134.db2.gz XPNKZUTZEPROJF-QMMMGPOBSA-N 1 0 302.300 1.705 10 0 DDAERO NC(=O)[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2C[NH3+])C1 ZINC000094334043 193360517 /nfs/dbraw/zinc/36/05/17/193360517.db2.gz WMOCBIYMOUKXMN-SECBINFHSA-N 1 0 302.300 1.261 10 0 DDAERO NC(=O)[C@@H]1CCCCN1c1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334202 193360683 /nfs/dbraw/zinc/36/06/83/193360683.db2.gz QHIVFVXAFGWLKB-VIFPVBQESA-N 1 0 302.300 1.403 10 0 DDAERO C[C@H]1CN(c2nc(C(F)(F)F)ccc2C(N)=O)[C@@H](C)C[NH2+]1 ZINC000094337515 193361068 /nfs/dbraw/zinc/36/10/68/193361068.db2.gz KMWJJQWVYTUPMO-YUMQZZPRSA-N 1 0 302.300 1.386 10 0 DDAERO NC(=O)c1ccc(C(F)(F)F)nc1N[C@@H]1CCC[C@H]1C[NH3+] ZINC000094337546 193361397 /nfs/dbraw/zinc/36/13/97/193361397.db2.gz KOVWGLMNECYGDH-IONNQARKSA-N 1 0 302.300 1.739 10 0 DDAERO C[C@H]1CN(c2nc(C(F)(F)F)ccc2C(N)=O)CC[C@@H]1[NH3+] ZINC000094342691 193362859 /nfs/dbraw/zinc/36/28/59/193362859.db2.gz QWQGCJSLWRLFAK-CBAPKCEASA-N 1 0 302.300 1.373 10 0 DDAERO NS(=O)(=O)c1ccccc1N(CC1CC[NH2+]CC1)C1CC1 ZINC000094044802 193340967 /nfs/dbraw/zinc/34/09/67/193340967.db2.gz VGUSKOSPMGLPIK-UHFFFAOYSA-N 1 0 309.435 1.302 10 0 DDAERO [NH3+]CCN1CCCN(C(=O)c2ccc(F)c(F)c2F)CC1 ZINC000094183441 193348192 /nfs/dbraw/zinc/34/81/92/193348192.db2.gz RSYGMJYDZCJUBT-UHFFFAOYSA-N 1 0 301.312 1.211 10 0 DDAERO C[C@@](O)(C[NH3+])Cc1nc(-c2ncc(Cl)cc2Cl)no1 ZINC000094199065 193348772 /nfs/dbraw/zinc/34/87/72/193348772.db2.gz AGLHPWMNUOAYIW-NSHDSACASA-N 1 0 303.149 1.691 10 0 DDAERO CS(=O)(=O)[C@H]1CCC[C@@H]([NH+]2CCC(C(N)=S)CC2)C1 ZINC000094636673 193387374 /nfs/dbraw/zinc/38/73/74/193387374.db2.gz QPLMNKXYPYDJBX-NEPJUHHUSA-N 1 0 304.481 1.340 10 0 DDAERO C[NH2+]CC[C@@H]1CCCCN1[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638749 193388136 /nfs/dbraw/zinc/38/81/36/193388136.db2.gz WFRLSDLLUDGCEQ-ZNMIVQPWSA-N 1 0 302.484 1.806 10 0 DDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000094647989 193389352 /nfs/dbraw/zinc/38/93/52/193389352.db2.gz GWFQOVSRPFSKQN-SMDDNHRTSA-N 1 0 310.419 1.094 10 0 DDAERO CCC[NH2+]Cc1ncnn1[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094644053 193389427 /nfs/dbraw/zinc/38/94/27/193389427.db2.gz NXVSMWKUYYKKPY-NEPJUHHUSA-N 1 0 300.428 1.306 10 0 DDAERO CC[NH2+]C1CCC(O)([C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094645066 193389643 /nfs/dbraw/zinc/38/96/43/193389643.db2.gz BETCHRRCYJPKFQ-FGZQJIAISA-N 1 0 303.468 1.873 10 0 DDAERO CC(C)C[C@H](C[NH3+])C(=O)Nc1ccccc1NS(C)(=O)=O ZINC000094697932 193391855 /nfs/dbraw/zinc/39/18/55/193391855.db2.gz AUKOXHACSBQVNT-LLVKDONJSA-N 1 0 313.423 1.618 10 0 DDAERO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH+]2CCC3(CC2)OCCO3)C1 ZINC000094679972 193391901 /nfs/dbraw/zinc/39/19/01/193391901.db2.gz MFTJOHOEMLQPLZ-CHWSQXEVSA-N 1 0 303.424 1.181 10 0 DDAERO CC[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CC(C)(C)S(C)(=O)=O ZINC000094435235 193370453 /nfs/dbraw/zinc/37/04/53/193370453.db2.gz GHFWZXMIRFBHNJ-UONOGXRCSA-N 1 0 302.484 1.758 10 0 DDAERO CC1(C)CSC[C@@H]([NH2+]Cc2cccc(S(N)(=O)=O)c2)C1 ZINC000094488178 193372970 /nfs/dbraw/zinc/37/29/70/193372970.db2.gz FNSUGZTWGXIQLD-LBPRGKRZSA-N 1 0 314.476 1.955 10 0 DDAERO CN(C[C@H]1CC[N@H+](C)C1)c1nc(Br)cn2ccnc12 ZINC000094491020 193373605 /nfs/dbraw/zinc/37/36/05/193373605.db2.gz WJHDAVAPFPXFHH-JTQLQIEISA-N 1 0 324.226 1.880 10 0 DDAERO [NH3+][C@@H](c1ccccc1OC(F)(F)F)[C@H]1CN2CCN1CC2 ZINC000094508414 193375207 /nfs/dbraw/zinc/37/52/07/193375207.db2.gz CIWGMFVTVYUSHZ-YPMHNXCESA-N 1 0 301.312 1.585 10 0 DDAERO [NH3+][C@H](Cc1ccc(Cl)cc1Cl)[C@H]1CN2CCN1CC2 ZINC000094508435 193376013 /nfs/dbraw/zinc/37/60/13/193376013.db2.gz NGMZAEXPWWYUOA-ZIAGYGMSSA-N 1 0 300.233 1.863 10 0 DDAERO NC(=O)CSc1ccccc1NC(=O)c1ccc(C[NH3+])o1 ZINC000094566691 193380773 /nfs/dbraw/zinc/38/07/73/193380773.db2.gz CUPJFUOQUXVYCF-UHFFFAOYSA-N 1 0 305.359 1.568 10 0 DDAERO C[N@@H+]1CCC[C@@H](Nc2nc3ccc(Br)cn3n2)C1 ZINC000094603864 193383791 /nfs/dbraw/zinc/38/37/91/193383791.db2.gz INSGFJZYUMFEDA-SNVBAGLBSA-N 1 0 310.199 1.998 10 0 DDAERO CN(c1nc2c(Br)cccn2n1)[C@@H]1CCC[NH2+]C1 ZINC000094608206 193384571 /nfs/dbraw/zinc/38/45/71/193384571.db2.gz DNNXLALSZACNEZ-SECBINFHSA-N 1 0 310.199 1.680 10 0 DDAERO CCCCc1nnc(N2C(=O)C[C@@H](SCC[NH3+])C2=O)s1 ZINC000016900710 182063112 /nfs/dbraw/zinc/06/31/12/182063112.db2.gz JQACCGDDJAHMEK-MRVPVSSYSA-N 1 0 314.436 1.205 10 0 DDAERO O=C(NCCCN1CC[NH2+]CC1)c1ccc(F)c(F)c1F ZINC000019681027 182136058 /nfs/dbraw/zinc/13/60/58/182136058.db2.gz ZEGQTOTUBBVSHK-UHFFFAOYSA-N 1 0 301.312 1.129 10 0 DDAERO C[C@H](CN1CC[NH+](C)CC1)OC(=O)c1ccc2c(c1)OCO2 ZINC000019721922 182138523 /nfs/dbraw/zinc/13/85/23/182138523.db2.gz UDTGCMBLLDYHQC-GFCCVEGCSA-N 1 0 306.362 1.208 10 0 DDAERO C[NH+](C)CCCNCC(=O)Nc1ccccc1Br ZINC000020054168 182184537 /nfs/dbraw/zinc/18/45/37/182184537.db2.gz AGQHKFZVIVFLRG-UHFFFAOYSA-N 1 0 314.227 1.929 10 0 DDAERO O=C(Nc1nc2c(s1)C[NH2+]CC2)[C@H]1Cc2ccccc2O1 ZINC000036233142 182810754 /nfs/dbraw/zinc/81/07/54/182810754.db2.gz HETOEVQEOFTBSH-GFCCVEGCSA-N 1 0 301.371 1.731 10 0 DDAERO Cc1ccccc1[C@H](C)NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000106513342 248248764 /nfs/dbraw/zinc/24/87/64/248248764.db2.gz WQZMQEMDSNDCOW-CVEARBPZSA-N 1 0 318.465 1.991 10 0 DDAERO CCSCC[C@@H](C)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000173624829 248345946 /nfs/dbraw/zinc/34/59/46/248345946.db2.gz VKSJCCXFARXOQF-KGLIPLIRSA-N 1 0 317.499 1.664 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCCCn2ccnc2C)C1 ZINC000174237787 248360797 /nfs/dbraw/zinc/36/07/97/248360797.db2.gz VUHJCEYESCWVKE-OAHLLOKOSA-N 1 0 307.442 1.755 10 0 DDAERO CC(C)Oc1cccc([C@@H](O)CNC(=O)C2([NH3+])CCOCC2)c1 ZINC000261883089 248577638 /nfs/dbraw/zinc/57/76/38/248577638.db2.gz PNWQKVAIJYWURP-HNNXBMFYSA-N 1 0 322.405 1.131 10 0 DDAERO NC(=O)CC[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000037891560 182934442 /nfs/dbraw/zinc/93/44/42/182934442.db2.gz BQBCKMGRKFHVOT-QMMMGPOBSA-N 1 0 307.177 1.198 10 0 DDAERO CC[NH+](CC)CCNCC1=CC2=CC=C[C@@H]3CCN(C1=O)[C@H]23 ZINC000039287499 183016324 /nfs/dbraw/zinc/01/63/24/183016324.db2.gz KERUFQVKGXPCJY-PBHICJAKSA-N 1 0 301.434 1.571 10 0 DDAERO CC(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(F)c(N)c2)C1 ZINC000040620986 183109399 /nfs/dbraw/zinc/10/93/99/183109399.db2.gz UDWDDXWYOUYCMY-NSHDSACASA-N 1 0 315.414 1.417 10 0 DDAERO C[C@@]([NH3+])(C(=O)N1CCN(C(=O)c2cccs2)CC1)C1CC1 ZINC000040854899 183142193 /nfs/dbraw/zinc/14/21/93/183142193.db2.gz QKLNKHQKPRIXGC-HNNXBMFYSA-N 1 0 307.419 1.160 10 0 DDAERO COC(=O)c1ccccc1N(C)c1nc[nH+]c(NN(C)C)c1N ZINC000040760121 183130415 /nfs/dbraw/zinc/13/04/15/183130415.db2.gz MSZMCNWYRREPQQ-UHFFFAOYSA-N 1 0 316.365 1.502 10 0 DDAERO CC(C)[C@@H](NS(=O)(=O)N1CC[NH2+]CC1)c1cccs1 ZINC000040860973 183144380 /nfs/dbraw/zinc/14/43/80/183144380.db2.gz JEHOGOJYDHQFJK-GFCCVEGCSA-N 1 0 303.453 1.185 10 0 DDAERO Cc1ccc(N2C(=O)CC[C@@H]2C(=O)NCCC[NH+](C)C)cc1 ZINC000041458447 183192700 /nfs/dbraw/zinc/19/27/00/183192700.db2.gz MYKQEMVQTNTQFK-OAHLLOKOSA-N 1 0 303.406 1.558 10 0 DDAERO CCC[N@H+](CCN(C)C)CC[C@@](C)(NC(C)C)C(=O)OC ZINC000041674484 183215294 /nfs/dbraw/zinc/21/52/94/183215294.db2.gz 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COC(=O)c1cccc(OCCN2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000105923886 194171781 /nfs/dbraw/zinc/17/17/81/194171781.db2.gz CCCPXCLKHMDXCA-MRXNPFEDSA-N 1 0 322.405 1.114 10 0 DDAERO COC(=O)[C@@H](C)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105915372 194169759 /nfs/dbraw/zinc/16/97/59/194169759.db2.gz XQMSLHGUCWYOAZ-RHSMWYFYSA-N 1 0 320.433 1.583 10 0 DDAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCCn1ccnc1 ZINC000106454246 194215840 /nfs/dbraw/zinc/21/58/40/194215840.db2.gz KZSJEQWKZRTNGC-INIZCTEOSA-N 1 0 300.406 1.562 10 0 DDAERO COc1ccc(NS(=O)(=O)C[C@H]2CCC[NH2+]2)cc1OC ZINC000049640933 183750306 /nfs/dbraw/zinc/75/03/06/183750306.db2.gz DBKJFJYGLNYCLK-LLVKDONJSA-N 1 0 300.380 1.198 10 0 DDAERO Cc1n[nH]cc1S(=O)(=O)N(C)C1(C[NH3+])CCCCCC1 ZINC000050093068 183772629 /nfs/dbraw/zinc/77/26/29/183772629.db2.gz WAAZACWPOGSUEU-UHFFFAOYSA-N 1 0 300.428 1.390 10 0 DDAERO CC(C)(C(N)=S)[NH+]1CCN(C(=O)Nc2ccccc2)CC1 ZINC000109466646 194266510 /nfs/dbraw/zinc/26/65/10/194266510.db2.gz IAJLQNUHJPRXGP-UHFFFAOYSA-N 1 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RPHINFHCTMRXME-INIZCTEOSA-N 1 0 300.443 1.666 10 0 DDAERO CS(=O)(=O)C[C@@H]([NH3+])Cc1ccc(F)cc1Br ZINC000060705291 184154391 /nfs/dbraw/zinc/15/43/91/184154391.db2.gz GZPONFUBVKBWEQ-VIFPVBQESA-N 1 0 310.188 1.503 10 0 DDAERO C[NH2+][C@H](Cc1ccc(Br)s1)CS(C)(=O)=O ZINC000060705617 184154622 /nfs/dbraw/zinc/15/46/22/184154622.db2.gz FIBAIVOPCIAZMF-SSDOTTSWSA-N 1 0 312.254 1.686 10 0 DDAERO CC[NH2+]C[C@H](C)C(=O)Nc1cc(C(=O)OC)c(F)cc1F ZINC000061233772 184166805 /nfs/dbraw/zinc/16/68/05/184166805.db2.gz SWYFVSSJFXRENV-QMMMGPOBSA-N 1 0 300.305 1.936 10 0 DDAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(NS(=O)(=O)CC)cc1 ZINC000061293848 184167600 /nfs/dbraw/zinc/16/76/00/184167600.db2.gz NATGMHBENABENE-UHFFFAOYSA-N 1 0 313.423 1.775 10 0 DDAERO CCC[NH2+][C@](C)(CCSc1nnc2ccccn21)C(N)=O ZINC000061408507 184170042 /nfs/dbraw/zinc/17/00/42/184170042.db2.gz JRZJSHNJFKYQTA-CQSZACIVSA-N 1 0 307.423 1.455 10 0 DDAERO CC[N@@H+]1CCC[C@H](Nc2nc(Cl)nc(-n3ccnc3)n2)C1 ZINC000061539213 184172740 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[NH3+]C[C@@H]1CCC[C@@H](C(=O)N2CCN(CC(F)(F)F)CC2)C1 ZINC000061951188 184198408 /nfs/dbraw/zinc/19/84/08/184198408.db2.gz VLTRJRGITDJPIZ-VXGBXAGGSA-N 1 0 307.360 1.458 10 0 DDAERO C[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)CCCOC)c1 ZINC000062037791 184202719 /nfs/dbraw/zinc/20/27/19/184202719.db2.gz PLIKYSNFTGHHHS-GFCCVEGCSA-N 1 0 300.424 1.624 10 0 DDAERO CC[NH2+][C@H]1CCCCC[C@H]1CN1CCN(S(C)(=O)=O)CC1 ZINC000062096380 184205771 /nfs/dbraw/zinc/20/57/71/184205771.db2.gz MWFDHUDCBUBPNI-GJZGRUSLSA-N 1 0 317.499 1.122 10 0 DDAERO O=C(CC[NH+]1CCCC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000062127393 184207352 /nfs/dbraw/zinc/20/73/52/184207352.db2.gz XXMSYJDNFUSWAZ-UHFFFAOYSA-N 1 0 305.378 1.050 10 0 DDAERO CC[NH+](CC)CCOCCNC(=O)c1ccc(OC)c(OC)c1 ZINC000062145267 184209092 /nfs/dbraw/zinc/20/90/92/184209092.db2.gz SEDQFZXRPBJREB-UHFFFAOYSA-N 1 0 324.421 1.792 10 0 DDAERO CCCN[C@H](CC[NH+]1CCC(OCC)CC1)C(=O)OCC ZINC000062453325 184236595 /nfs/dbraw/zinc/23/65/95/184236595.db2.gz NXIDAJWRCGSLMO-OAHLLOKOSA-N 1 0 300.443 1.809 10 0 DDAERO CCCN[C@@H](CC[N@H+](CCC)CCN(C)C)C(=O)OCC ZINC000062527903 184241861 /nfs/dbraw/zinc/24/18/61/184241861.db2.gz ZMYFYCPOGUAXNV-HNNXBMFYSA-N 1 0 301.475 1.581 10 0 DDAERO CC[C@]1(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CCC[NH2+]C1 ZINC000062852284 184256608 /nfs/dbraw/zinc/25/66/08/184256608.db2.gz JARPZSROWXSUPA-AWEZNQCLSA-N 1 0 311.407 1.052 10 0 DDAERO CCC1(C(=O)N(CCOC)[C@H]2CCSC2)CC[NH2+]CC1 ZINC000062849059 184256754 /nfs/dbraw/zinc/25/67/54/184256754.db2.gz BHYQWHCQICWUMO-ZDUSSCGKSA-N 1 0 300.468 1.747 10 0 DDAERO CCC[C@]1(C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC[NH2+]C1 ZINC000062891860 184258340 /nfs/dbraw/zinc/25/83/40/184258340.db2.gz YYOOTUGEJFUCDD-AWEZNQCLSA-N 1 0 311.407 1.203 10 0 DDAERO CCC[C@]1(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[NH2+]C1 ZINC000062888716 184258475 /nfs/dbraw/zinc/25/84/75/184258475.db2.gz ANYHCUNGNMBGHC-AWEZNQCLSA-N 1 0 311.407 1.052 10 0 DDAERO COc1ccc(S(=O)(=O)N[C@H]2CCCCC[C@H]2[NH3+])cc1F ZINC000063213362 184278411 /nfs/dbraw/zinc/27/84/11/184278411.db2.gz CGWUNUDAXMTTNF-OLZOCXBDSA-N 1 0 316.398 1.773 10 0 DDAERO COc1ccc(S(=O)(=O)N[C@H]2CCCCC[C@@H]2[NH3+])cc1F ZINC000063213358 184278433 /nfs/dbraw/zinc/27/84/33/184278433.db2.gz CGWUNUDAXMTTNF-STQMWFEESA-N 1 0 316.398 1.773 10 0 DDAERO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(NC)nc2)C1 ZINC000062984627 184264752 /nfs/dbraw/zinc/26/47/52/184264752.db2.gz YAUBFZIJKFGWFR-LBPRGKRZSA-N 1 0 312.439 1.228 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(Br)cnc2N)C1 ZINC000062984683 184265106 /nfs/dbraw/zinc/26/51/06/184265106.db2.gz SOUPYBXPMVMSIR-VIFPVBQESA-N 1 0 313.199 1.202 10 0 DDAERO CC[NH2+]Cc1cc(OC)ccc1OCCCS(C)(=O)=O ZINC000063014292 184266631 /nfs/dbraw/zinc/26/66/31/184266631.db2.gz OHDKUVDCNMIONR-UHFFFAOYSA-N 1 0 301.408 1.618 10 0 DDAERO COc1cccc(C[C@@H](C)[NH3+])c1OCCCS(C)(=O)=O ZINC000063017562 184266987 /nfs/dbraw/zinc/26/69/87/184266987.db2.gz GRTNLTOKESIWKP-LLVKDONJSA-N 1 0 301.408 1.398 10 0 DDAERO CCOCCS(=O)(=O)N(CC)C1(C[NH3+])CCCCCC1 ZINC000063153368 184274174 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COc1cccc(F)c1[C@H](C)NC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261851897 407641635 /nfs/dbraw/zinc/64/16/35/407641635.db2.gz RPNQORURSZFWRP-BONVTDFDSA-N 1 0 310.369 1.765 10 0 DDAERO [NH3+][C@@H](C(=O)N[C@@H]1COc2ccc(Cl)cc21)C1CCOCC1 ZINC000261731091 407595395 /nfs/dbraw/zinc/59/53/95/407595395.db2.gz JWFFRZBRBBNUTB-TZMCWYRMSA-N 1 0 310.781 1.644 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccc(-n2cncn2)c1 ZINC000115345850 407670808 /nfs/dbraw/zinc/67/08/08/407670808.db2.gz DULHKZIZULUQEB-OAHLLOKOSA-N 1 0 315.421 1.973 10 0 DDAERO Fc1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261974353 407698363 /nfs/dbraw/zinc/69/83/63/407698363.db2.gz QXSHKKSGHMXVFI-IMJJTQAJSA-N 1 0 308.397 1.951 10 0 DDAERO Cc1cccc2nc(CN3CC[N@@H+](C[C@@H](C)O)[C@H](C)C3)cn21 ZINC000171563636 407704404 /nfs/dbraw/zinc/70/44/04/407704404.db2.gz AWSGPGJKORZGOW-HUUCEWRRSA-N 1 0 302.422 1.530 10 0 DDAERO CCNC(=O)C(C)(C)CNC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000130975106 407713437 /nfs/dbraw/zinc/71/34/37/407713437.db2.gz WUMUEMNYEMOAQA-CYBMUJFWSA-N 1 0 312.458 1.274 10 0 DDAERO Cc1ccc2nc(CN[C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)cn2c1 ZINC000262029038 407717599 /nfs/dbraw/zinc/71/75/99/407717599.db2.gz XHQQSONWLNGIEG-BRWVUGGUSA-N 1 0 314.433 1.889 10 0 DDAERO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000171741689 407754671 /nfs/dbraw/zinc/75/46/71/407754671.db2.gz BTXPCKWAALLBLX-MCIONIFRSA-N 1 0 316.401 1.906 10 0 DDAERO CC[N@H+](CCNC(=O)N1CC[C@@H](c2cnn(C)c2)C1)C1CC1 ZINC000116429941 407754773 /nfs/dbraw/zinc/75/47/73/407754773.db2.gz XAUUMUKNPUYHJW-CYBMUJFWSA-N 1 0 305.426 1.403 10 0 DDAERO COc1cc(Br)c(CN2C[C@H]([NH3+])[C@@H](C)C2)cc1O ZINC000262122168 407744695 /nfs/dbraw/zinc/74/46/95/407744695.db2.gz XIZJQIOETORSBA-KWQFWETISA-N 1 0 315.211 1.942 10 0 DDAERO Cn1cc([C@H]2CC[N@H+](CCN3C(=O)c4ccccc4C3=O)C2)cn1 ZINC000116324020 407746232 /nfs/dbraw/zinc/74/62/32/407746232.db2.gz DSAOKOYQQCKRMK-ZDUSSCGKSA-N 1 0 324.384 1.506 10 0 DDAERO C[C@H](NC(=O)C[NH+]1CCC(C)CC1)c1nnc2n1CCCC2 ZINC000131680531 407746469 /nfs/dbraw/zinc/74/64/69/407746469.db2.gz SUNCZABARLWGDV-ZDUSSCGKSA-N 1 0 305.426 1.524 10 0 DDAERO C[C@@H](CNC(=O)N[C@@H]1CCc2ncnn2C1)C[NH+]1CCCCC1 ZINC000112745092 286869674 /nfs/dbraw/zinc/86/96/74/286869674.db2.gz AVBPSNOKUZRADX-UONOGXRCSA-N 1 0 320.441 1.014 10 0 DDAERO Cc1cc2ccccc2n1CC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116792164 407780935 /nfs/dbraw/zinc/78/09/35/407780935.db2.gz UNJQNZGPWLIQOS-MRXNPFEDSA-N 1 0 315.417 1.739 10 0 DDAERO Cc1c(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cnn1C(C)(C)C ZINC000116791361 407780947 /nfs/dbraw/zinc/78/09/47/407780947.db2.gz QVAWBTJSCWPHGJ-ZDUSSCGKSA-N 1 0 308.426 1.349 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)CSC[C@@H]2CCCCO2)CCO1 ZINC000116784944 407777779 /nfs/dbraw/zinc/77/77/79/407777779.db2.gz XWWCXHWFEWYXDD-UONOGXRCSA-N 1 0 316.467 1.078 10 0 DDAERO CC[C@H](C)C(=O)Nc1cccc(CNC(=O)[C@H]([NH3+])COC)c1 ZINC000262300314 407787305 /nfs/dbraw/zinc/78/73/05/407787305.db2.gz NTWYPFNNESOOTA-SMDDNHRTSA-N 1 0 307.394 1.261 10 0 DDAERO COC[C@@H]([NH3+])C(=O)NCCc1nc2ccccc2n1C(C)C ZINC000262377534 407817612 /nfs/dbraw/zinc/81/76/12/407817612.db2.gz XJDXVTHGNGPVLY-GFCCVEGCSA-N 1 0 304.394 1.250 10 0 DDAERO CCOCCN1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC000117277217 407819160 /nfs/dbraw/zinc/81/91/60/407819160.db2.gz FSFBVYZCDWDFST-HZPDHXFCSA-N 1 0 311.470 1.430 10 0 DDAERO CC(=O)NCc1ccc(NC(=O)C2(C[NH3+])CCOCC2)cc1 ZINC000262394188 407822676 /nfs/dbraw/zinc/82/26/76/407822676.db2.gz YCMJUAATIYEJGM-UHFFFAOYSA-N 1 0 305.378 1.017 10 0 DDAERO CC[C@@H]1CN(C(=O)NCCCn2ccnc2)CC[N@@H+]1CCOC ZINC000117467752 407839081 /nfs/dbraw/zinc/83/90/81/407839081.db2.gz MYICRIAZNAQDOO-OAHLLOKOSA-N 1 0 323.441 1.025 10 0 DDAERO CC(=O)Nc1ccc(C[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1 ZINC000180228963 407864417 /nfs/dbraw/zinc/86/44/17/407864417.db2.gz NMMJRJGVABBIJY-KSSFIOAISA-N 1 0 317.433 1.798 10 0 DDAERO C[C@H]1CC[C@@H](C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)O1 ZINC000180288903 407871215 /nfs/dbraw/zinc/87/12/15/407871215.db2.gz 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310.419 1.429 10 0 DDAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000337148247 289321299 /nfs/dbraw/zinc/32/12/99/289321299.db2.gz JKPWRZBVVLRFCL-GZBFAFLISA-N 1 0 307.438 1.376 10 0 DDAERO C[C@H](C[S@](C)=O)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000168172343 298217705 /nfs/dbraw/zinc/21/77/05/298217705.db2.gz WWWDXVRWERZGEO-RRMDADRESA-N 1 0 318.483 1.990 10 0 DDAERO CCOc1ccc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)c(C)c1 ZINC000170873522 298223444 /nfs/dbraw/zinc/22/34/44/298223444.db2.gz ACZQUSWNISCVOP-ZDUSSCGKSA-N 1 0 312.435 1.718 10 0 DDAERO COC[C@](C)(O)C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000382564393 325746731 /nfs/dbraw/zinc/74/67/31/325746731.db2.gz NDFYBNIMCJAKRU-XJKSGUPXSA-N 1 0 316.442 1.621 10 0 DDAERO CC(C)CN1CCC[C@@H]1C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000090773222 484013122 /nfs/dbraw/zinc/01/31/22/484013122.db2.gz ZISTZUZIAJMSPO-OAHLLOKOSA-N 1 0 317.499 1.120 10 0 DDAERO CCc1nccn1[C@H]1CCCN(C(=O)c2ccc(C[NH3+])o2)C1 ZINC000168336738 484090646 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CCOc1ccc(OCCN2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000155244416 521174242 /nfs/dbraw/zinc/17/42/42/521174242.db2.gz AIYQRWSRSOPJHI-KRWDZBQOSA-N 1 0 308.422 1.727 10 0 DDAERO COc1ncccc1CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000157056312 525054974 /nfs/dbraw/zinc/05/49/74/525054974.db2.gz GFPWWDRYPPKMEX-OCCSQVGLSA-N 1 0 306.410 1.618 10 0 DDAERO [NH3+]C1(C(=O)NCc2ncc(Br)s2)CCOCC1 ZINC000714936526 699272952 /nfs/dbraw/zinc/27/29/52/699272952.db2.gz ZYRLTFGMCVSVMV-UHFFFAOYSA-N 1 0 320.212 1.030 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](O)c2cccc(OC)c2)C1 ZINC000111836794 696646155 /nfs/dbraw/zinc/64/61/55/696646155.db2.gz UIYNUGFZAOROPM-ZBFHGGJFSA-N 1 0 321.421 1.512 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](O)c2ccccc2C)C1 ZINC000112444543 696650870 /nfs/dbraw/zinc/65/08/70/696650870.db2.gz DNZMSSVHVOMACT-ZBFHGGJFSA-N 1 0 305.422 1.812 10 0 DDAERO COCC[N@@H+]1CCN(Cn2nc(C(C)(C)C)ccc2=O)C[C@H]1C ZINC000117322208 696670407 /nfs/dbraw/zinc/67/04/07/696670407.db2.gz UDLQGGSKYKOJMV-CQSZACIVSA-N 1 0 322.453 1.151 10 0 DDAERO COCC[N@@H+]1CCN(Cn2c3ccccc3oc2=O)C[C@H]1C ZINC000117323390 696670417 /nfs/dbraw/zinc/67/04/17/696670417.db2.gz PBUCFANPUDNCQE-CYBMUJFWSA-N 1 0 305.378 1.205 10 0 DDAERO O[C@H]1C[NH2+][C@@H](c2nc(Cc3ccccc3Br)no2)C1 ZINC000131752040 696808509 /nfs/dbraw/zinc/80/85/09/696808509.db2.gz VVFVEYBEOLARBQ-MWLCHTKSSA-N 1 0 324.178 1.818 10 0 DDAERO C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000132186651 696812664 /nfs/dbraw/zinc/81/26/64/696812664.db2.gz MMKAPUWJFNCJOL-HOCLYGCPSA-N 1 0 317.433 1.179 10 0 DDAERO CC[C@H]1CN(Cn2cc(C)cnc2=S)CC[N@@H+]1CCOC ZINC000132818550 696819389 /nfs/dbraw/zinc/81/93/89/696819389.db2.gz INQNDJPZHWOQLC-AWEZNQCLSA-N 1 0 310.467 1.921 10 0 DDAERO CNC(=O)[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000185531948 697519603 /nfs/dbraw/zinc/51/96/03/697519603.db2.gz RBPJGRUCAPFGQM-CHWSQXEVSA-N 1 0 313.442 1.746 10 0 DDAERO Cc1cc(C(=O)N[C@H]2C[NH+]3CCC2CC3)nc(N2CCCC2)n1 ZINC000222566566 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CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCc1ccnn1C ZINC000248397005 698372944 /nfs/dbraw/zinc/37/29/44/698372944.db2.gz KXKZBTFYAMBXLU-ZFWWWQNUSA-N 1 0 305.426 1.231 10 0 DDAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)COc3ccc4c(c3)CCC4)C[C@H]12 ZINC000248635133 698377300 /nfs/dbraw/zinc/37/73/00/698377300.db2.gz QCILEEZZCAMTLM-BHYGNILZSA-N 1 0 300.402 1.750 10 0 DDAERO CC(=O)N[C@H](CC(=O)N[C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000248872904 698382350 /nfs/dbraw/zinc/38/23/50/698382350.db2.gz PKJWPMNBKSMHBM-DAXOMENPSA-N 1 0 303.406 1.511 10 0 DDAERO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000249701437 698396429 /nfs/dbraw/zinc/39/64/29/698396429.db2.gz IDUBBCXPTJALHY-NWANDNLSSA-N 1 0 304.390 1.396 10 0 DDAERO CCCc1ccc(N2C[C@H](C(=O)NC[C@H](C)[NH2+]C)CC2=O)cc1 ZINC000261661578 698431315 /nfs/dbraw/zinc/43/13/15/698431315.db2.gz FZABMNDXTNSILX-DZGCQCFKSA-N 1 0 317.433 1.716 10 0 DDAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000261668212 698431763 /nfs/dbraw/zinc/43/17/63/698431763.db2.gz GLPXRQRRNUUJNT-ZETCQYMHSA-N 1 0 314.304 1.731 10 0 DDAERO COc1ccccc1OCCN(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261712770 698434187 /nfs/dbraw/zinc/43/41/87/698434187.db2.gz JJCBIWURWUQDGW-ZIAGYGMSSA-N 1 0 306.406 1.907 10 0 DDAERO C[C@@H](NC(=O)COC1CC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000261798421 698438521 /nfs/dbraw/zinc/43/85/21/698438521.db2.gz UOMVSWYMZMQWQP-GFCCVEGCSA-N 1 0 320.389 1.404 10 0 DDAERO Cc1ccc([C@@H](C)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)cc1F ZINC000261824884 698439372 /nfs/dbraw/zinc/43/93/72/698439372.db2.gz AXJBVJCGJBVTHF-ABAIWWIYSA-N 1 0 309.385 1.411 10 0 DDAERO CC(C)[C@@H](NC(=O)C[C@H](C)[NH3+])c1nc(-c2ccncc2)no1 ZINC000261925015 698445448 /nfs/dbraw/zinc/44/54/48/698445448.db2.gz YCJVQGKYPBEXOL-GXFFZTMASA-N 1 0 303.366 1.682 10 0 DDAERO O=S(=O)(NC[C@@H]1CC[NH2+]C1)c1ccc(OC(F)F)c(F)c1 ZINC000262174645 698458271 /nfs/dbraw/zinc/45/82/71/698458271.db2.gz AZNBLEWGBSEXRQ-MRVPVSSYSA-N 1 0 324.324 1.315 10 0 DDAERO C[C@@H](C[NH2+]C1CCS(=O)CC1)N(C)C(=O)OC(C)(C)C ZINC000309940346 698668827 /nfs/dbraw/zinc/66/88/27/698668827.db2.gz GPQKZFGPFDSJJN-IDOXEUFTSA-N 1 0 304.456 1.743 10 0 DDAERO Cn1ncc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000309921269 698669093 /nfs/dbraw/zinc/66/90/93/698669093.db2.gz QYDBRXMBDZKVGA-RYQLBKOJSA-N 1 0 311.433 1.815 10 0 DDAERO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)n1ccnc1 ZINC000702563728 699230660 /nfs/dbraw/zinc/23/06/60/699230660.db2.gz RONBCSCMHPCBDF-MRXNPFEDSA-N 1 0 300.362 1.078 10 0 DDAERO Cc1ccoc1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702849075 699234252 /nfs/dbraw/zinc/23/42/52/699234252.db2.gz ZZKSNTAIFLKDDG-CHWSQXEVSA-N 1 0 310.394 1.905 10 0 DDAERO Cc1c(C[NH2+]C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)cnn1C ZINC000705096848 699239867 /nfs/dbraw/zinc/23/98/67/699239867.db2.gz WVWRIJFUPFEGDV-INIZCTEOSA-N 1 0 324.425 1.190 10 0 DDAERO C[C@H]1CN(C(=O)c2cc(Br)cnc2F)C[C@H]1C[NH3+] ZINC000708859251 699251020 /nfs/dbraw/zinc/25/10/20/699251020.db2.gz VOXHXKPIIBFFSZ-JGVFFNPUSA-N 1 0 316.174 1.650 10 0 DDAERO CC[N@@H+]1CC[C@H](NC(=O)c2csc(Br)n2)C1 ZINC000709599045 699252404 /nfs/dbraw/zinc/25/24/04/699252404.db2.gz OGKIXPNOXQQOBX-ZETCQYMHSA-N 1 0 304.213 1.730 10 0 DDAERO C[C@H]([NH2+][C@@H]1CCNC1=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000710398668 699254134 /nfs/dbraw/zinc/25/41/34/699254134.db2.gz YRWWLUQYJUXGLU-WCQYABFASA-N 1 0 311.426 1.500 10 0 DDAERO Cn1cnc(CC[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)c1 ZINC000711447825 699258287 /nfs/dbraw/zinc/25/82/87/699258287.db2.gz LYWHKQGEZUUYQJ-UHFFFAOYSA-N 1 0 308.426 1.856 10 0 DDAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]C[C@H](O)C(F)(F)F)C1 ZINC000711443330 699258304 /nfs/dbraw/zinc/25/83/04/699258304.db2.gz UQGBWSAXQBIPEX-RTBKNWGFSA-N 1 0 312.332 1.803 10 0 DDAERO [NH3+][C@@H]1CN(c2nccc(C(F)(F)F)n2)C[C@H]1C(F)(F)F ZINC000720879023 699309736 /nfs/dbraw/zinc/30/97/36/699309736.db2.gz IHNVUBNCKPDWKG-PHDIDXHHSA-N 1 0 300.206 1.821 10 0 DDAERO O=C(N[C@H](CO)c1ccc(Cl)cc1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897329594 708293697 /nfs/dbraw/zinc/29/36/97/708293697.db2.gz PLBLDEVQKLTGJQ-HUUCEWRRSA-N 1 0 324.808 1.210 10 0 DDAERO C[NH+](C)C/C=C\C(=O)N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000886034005 708685597 /nfs/dbraw/zinc/68/55/97/708685597.db2.gz ACOUPRDQSYTDMO-IMXKFXGHSA-N 1 0 322.836 1.964 10 0 DDAERO Cc1ccc(CC(=O)N2C[C@H]([NH3+])CC[C@H]2C(F)(F)F)cn1 ZINC000886038231 708686783 /nfs/dbraw/zinc/68/67/83/708686783.db2.gz MDSDVMYKONTLMK-NEPJUHHUSA-N 1 0 301.312 1.813 10 0 DDAERO CC(=O)NC1(c2noc([C@@]3(N)CC[N@@H+](C)C3)n2)CCCCCC1 ZINC000886077791 708693607 /nfs/dbraw/zinc/69/36/07/708693607.db2.gz FYBHIHMFMOHCJR-OAHLLOKOSA-N 1 0 321.425 1.245 10 0 DDAERO Cn1nccc1CCC(=O)Nc1ccc([C@H]2CCC[NH2+]2)nn1 ZINC000886085223 708695252 /nfs/dbraw/zinc/69/52/52/708695252.db2.gz HPVATUNDFOVCGN-GFCCVEGCSA-N 1 0 300.366 1.206 10 0 DDAERO Cn1cnnc1C[C@]1(O)CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000886088175 708696079 /nfs/dbraw/zinc/69/60/79/708696079.db2.gz CRCZXRSNWGAJIS-QKYXPGDISA-N 1 0 312.417 1.898 10 0 DDAERO Cc1noc(C[C@]2(O)CCCN(CC[NH+]3CCCCC3)C2)n1 ZINC000886091698 708696429 /nfs/dbraw/zinc/69/64/29/708696429.db2.gz MANZSTBHMNAVOY-MRXNPFEDSA-N 1 0 308.426 1.233 10 0 DDAERO Cc1nccnc1CC[NH2+]C[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000888078650 709210202 /nfs/dbraw/zinc/21/02/02/709210202.db2.gz HGINCAIFMWUTDA-CJNGLKHVSA-N 1 0 301.394 1.428 10 0 DDAERO CCCc1occc1C(=O)N1C[C@@H]([NH+](C)C)[C@@H](n2ccnn2)C1 ZINC000888078392 709210337 /nfs/dbraw/zinc/21/03/37/709210337.db2.gz NHKGNPVOMYNHQM-KGLIPLIRSA-N 1 0 317.393 1.451 10 0 DDAERO CCC[N@@H+]1CCC[C@H](C(=O)N2CC(OCc3nnc(C)o3)C2)C1 ZINC000911409288 710785459 /nfs/dbraw/zinc/78/54/59/710785459.db2.gz FGYYKNSSJRDRDM-ZDUSSCGKSA-N 1 0 322.409 1.227 10 0 DDAERO Cc1cnc(CN(C)[C@H]2CC[N@H+](Cc3c(C)ccnc3N)C2)o1 ZINC000893870131 710865554 /nfs/dbraw/zinc/86/55/54/710865554.db2.gz SVEKWMRYRPALQL-AWEZNQCLSA-N 1 0 315.421 1.975 10 0 DDAERO CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)C1 ZINC000907563820 712595848 /nfs/dbraw/zinc/59/58/48/712595848.db2.gz ITUCNTANLAYJPN-LSDHHAIUSA-N 1 0 319.453 1.347 10 0 DDAERO COc1ncc(C)cc1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000181225515 199267657 /nfs/dbraw/zinc/26/76/57/199267657.db2.gz STSLUFNADRQAIG-LBPRGKRZSA-N 1 0 308.382 1.193 10 0 DDAERO Cc1nc2ccccc2nc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173953009 282084423 /nfs/dbraw/zinc/08/44/23/282084423.db2.gz NDXRZUJTGIUBBF-HNNXBMFYSA-N 1 0 312.417 1.845 10 0 DDAERO CC[C@@H]1CN(CCCC(=O)OC(C)(C)C)CC[N@@H+]1C[C@H](C)O ZINC000248470418 282086521 /nfs/dbraw/zinc/08/65/21/282086521.db2.gz VAZFJHCVCGMQRB-LSDHHAIUSA-N 1 0 314.470 1.885 10 0 DDAERO CC[NH2+][C@H]1c2ccccc2CC[C@@H]1Sc1n[nH]c(=O)n1C ZINC000081880650 192334053 /nfs/dbraw/zinc/33/40/53/192334053.db2.gz BNDYRSKTGOQMLC-STQMWFEESA-N 1 0 304.419 1.866 10 0 DDAERO COC(=O)c1ccnc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000248848382 282111500 /nfs/dbraw/zinc/11/15/00/282111500.db2.gz VJORZUXCVUCYRS-WCQYABFASA-N 1 0 320.393 1.718 10 0 DDAERO COCCO[C@@H]1CCN(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1 ZINC000249078920 282131230 /nfs/dbraw/zinc/13/12/30/282131230.db2.gz CCLLBLMJZYLOIT-RRFJBIMHSA-N 1 0 313.442 1.162 10 0 DDAERO [NH3+][C@@H]1CCOC[C@@H]1S(=O)(=O)c1ccccc1Br ZINC000081931538 192340768 /nfs/dbraw/zinc/34/07/68/192340768.db2.gz NZTHBJYQUPUICR-KOLCDFICSA-N 1 0 320.208 1.339 10 0 DDAERO C[NH2+][C@H]1CCCC[C@@H]1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000081935276 192342524 /nfs/dbraw/zinc/34/25/24/192342524.db2.gz FADJXBUUZXTXQU-WFASDCNBSA-N 1 0 311.403 1.762 10 0 DDAERO C[NH2+][C@@H](CS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CC1 ZINC000081936094 192343140 /nfs/dbraw/zinc/34/31/40/192343140.db2.gz PLPHDWCNYRPRGS-ZDUSSCGKSA-N 1 0 311.403 1.620 10 0 DDAERO CC(C)(C)[C@@H](CC[NH3+])CCC(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000079294587 185163728 /nfs/dbraw/zinc/16/37/28/185163728.db2.gz MAUJZMCLFGUUSH-CHWSQXEVSA-N 1 0 318.483 1.471 10 0 DDAERO CC(C)[C@H](CC[NH3+])CCC(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000079279029 185163143 /nfs/dbraw/zinc/16/31/43/185163143.db2.gz RIJZMYVAVOKCIU-STQMWFEESA-N 1 0 304.456 1.081 10 0 DDAERO [NH3+]C[C@]1(Cc2ccn(C3CCCCC3)n2)CCS(=O)(=O)C1 ZINC000096835346 185389179 /nfs/dbraw/zinc/38/91/79/185389179.db2.gz JMRATBFFZWPGKK-OAHLLOKOSA-N 1 0 311.451 1.694 10 0 DDAERO O[C@@H]1C[NH2+]C[C@H]1Oc1ccc(I)cc1 ZINC000082524972 185190685 /nfs/dbraw/zinc/19/06/85/185190685.db2.gz RCMIJEOTVXEHHB-NXEZZACHSA-N 1 0 305.115 1.003 10 0 DDAERO [NH3+][C@@]1(C(=O)NCc2ccc(Br)s2)CCOC1 ZINC000082963811 185209668 /nfs/dbraw/zinc/20/96/68/185209668.db2.gz QGDZENYKMCOSSW-JTQLQIEISA-N 1 0 305.197 1.245 10 0 DDAERO CCC[C@@H](C[NH3+])NS(=O)(=O)N(C)Cc1cccc(OC)c1 ZINC000087404202 185223768 /nfs/dbraw/zinc/22/37/68/185223768.db2.gz VMFPJBASROAIPW-ZDUSSCGKSA-N 1 0 315.439 1.089 10 0 DDAERO CC(C)[C@H](C[NH3+])NS(=O)(=O)c1cncc(Br)c1 ZINC000087404603 185223901 /nfs/dbraw/zinc/22/39/01/185223901.db2.gz PWTPZTIQNPWMHX-JTQLQIEISA-N 1 0 322.228 1.106 10 0 DDAERO CC(C)c1nsc(N2CCC[C@H]2C(=O)N2CC[NH2+]CC2)n1 ZINC000087642433 185229763 /nfs/dbraw/zinc/22/97/63/185229763.db2.gz CQIOQRHQIJCMFM-NSHDSACASA-N 1 0 309.439 1.062 10 0 DDAERO COc1ccc(CN2CCC[NH2+]CC2=O)cc1Br ZINC000087882070 185234467 /nfs/dbraw/zinc/23/44/67/185234467.db2.gz LLDMPZHZODFNPC-UHFFFAOYSA-N 1 0 313.195 1.780 10 0 DDAERO [NH3+]C[C@@H](NC[C@H]1CCCO1)c1cc(Cl)c2c(c1)OCCO2 ZINC000087928484 185237633 /nfs/dbraw/zinc/23/76/33/185237633.db2.gz CJXIHILAQQSNRQ-DGCLKSJQSA-N 1 0 312.797 1.880 10 0 DDAERO Nc1nc2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)cc2s1 ZINC000087847548 185233348 /nfs/dbraw/zinc/23/33/48/185233348.db2.gz FUKDCJPVUAPXLB-SNVBAGLBSA-N 1 0 302.403 1.845 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cnn(Cc3ccccn3)c2)C1 ZINC000175909588 539228804 /nfs/dbraw/zinc/22/88/04/539228804.db2.gz YOCABBDLXZKFDU-OAHLLOKOSA-N 1 0 314.393 1.494 10 0 DDAERO COc1ccc(NC(=O)[C@@]2([NH3+])CCOC2)cc1Br ZINC000088321538 185245620 /nfs/dbraw/zinc/24/56/20/185245620.db2.gz DEXUADOWBOIMFB-GFCCVEGCSA-N 1 0 315.167 1.514 10 0 DDAERO CN(C)c1nnc(SC[C@H](O)[C@@H]([NH3+])Cc2ccccc2)s1 ZINC000088398600 185248405 /nfs/dbraw/zinc/24/84/05/185248405.db2.gz DUFNVNHVOSDTNX-RYUDHWBXSA-N 1 0 324.475 1.627 10 0 DDAERO O=S(=O)(C1CCOCC1)N1CC[NH2+]CC12CCCCC2 ZINC000088396228 185248441 /nfs/dbraw/zinc/24/84/41/185248441.db2.gz PGBNJDJATLXVAW-UHFFFAOYSA-N 1 0 302.440 1.103 10 0 DDAERO [NH3+][C@@H]1CCC2(C[C@@H]1N1CCC(C(F)(F)F)CC1)OCCO2 ZINC000088419637 185249573 /nfs/dbraw/zinc/24/95/73/185249573.db2.gz OMRPAHFCADWWQU-NEPJUHHUSA-N 1 0 308.344 1.884 10 0 DDAERO CC(C)[NH2+]CCS(=O)(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000088433040 185249733 /nfs/dbraw/zinc/24/97/33/185249733.db2.gz YVHWILQORKKKNY-SNVBAGLBSA-N 1 0 302.362 1.589 10 0 DDAERO CC[NH+](CC)CCC[C@H](C)NS(=O)(=O)[C@H](C)C(N)=S ZINC000088487088 185253437 /nfs/dbraw/zinc/25/34/37/185253437.db2.gz WYNQWFKWIIHTLG-WDEREUQCSA-N 1 0 309.501 1.091 10 0 DDAERO CNS(=O)(=O)c1ccc(CN[C@H](CC(C)C)C[NH+](C)C)o1 ZINC000088540277 185255823 /nfs/dbraw/zinc/25/58/23/185255823.db2.gz HOZDPOPYKDIOCT-GFCCVEGCSA-N 1 0 317.455 1.254 10 0 DDAERO CC[C@@H](COC)NS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088551321 185257710 /nfs/dbraw/zinc/25/77/10/185257710.db2.gz YCBAHOIKTBEWQN-NSHDSACASA-N 1 0 304.412 1.481 10 0 DDAERO CC[NH2+]C[C@@H](Cc1ncnn1C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000088620168 185260249 /nfs/dbraw/zinc/26/02/49/185260249.db2.gz KKDXGRQHGOPBKM-CHWSQXEVSA-N 1 0 314.455 1.062 10 0 DDAERO C[N@@H+]1CCC[C@@H](CNC(=O)c2sc3nccnc3c2N)C1 ZINC000088642401 185261172 /nfs/dbraw/zinc/26/11/72/185261172.db2.gz GXEMTIHUEWZDNW-VIFPVBQESA-N 1 0 305.407 1.345 10 0 DDAERO CC[N@H+](C)CCNC(=O)c1sc2nnc(C)c(C)c2c1N ZINC000088643129 185261352 /nfs/dbraw/zinc/26/13/52/185261352.db2.gz ZKKLZNXUJKIOCR-UHFFFAOYSA-N 1 0 307.423 1.572 10 0 DDAERO O=S1(=O)C=C[C@@H]([NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000088853826 185267284 /nfs/dbraw/zinc/26/72/84/185267284.db2.gz FMUGGHNBIRLOGF-MRXNPFEDSA-N 1 0 306.431 1.551 10 0 DDAERO C[C@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCCO1 ZINC000248584122 539272253 /nfs/dbraw/zinc/27/22/53/539272253.db2.gz JIGIUZPDPIGTPF-QJPTWQEYSA-N 1 0 308.344 1.944 10 0 DDAERO CN(Cc1nnc(-c2ccc(Br)cc2)o1)C1C[NH2+]C1 ZINC000090290531 185289497 /nfs/dbraw/zinc/28/94/97/185289497.db2.gz YXVVMXOSDYSEDO-UHFFFAOYSA-N 1 0 323.194 1.903 10 0 DDAERO Brc1csc(CN2CC(N3CC[NH2+]CC3)C2)c1 ZINC000090308077 185290123 /nfs/dbraw/zinc/29/01/23/185290123.db2.gz KVCFTSUQDOMQNP-UHFFFAOYSA-N 1 0 316.268 1.600 10 0 DDAERO O=C(c1ccc(F)cc1Br)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090321371 185290901 /nfs/dbraw/zinc/29/09/01/185290901.db2.gz PXTMPBODZYFLGB-IUCAKERBSA-N 1 0 313.170 1.880 10 0 DDAERO O=C(c1c(F)c(F)c(F)c(F)c1F)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090321292 185291020 /nfs/dbraw/zinc/29/10/20/185291020.db2.gz KYLJLJBDDBLZMQ-PHDIDXHHSA-N 1 0 306.234 1.674 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1C(=O)c1cc(Br)c[nH]1 ZINC000090336520 185291459 /nfs/dbraw/zinc/29/14/59/185291459.db2.gz PVVDWGXWXPBYHW-WCBMZHEXSA-N 1 0 312.211 1.847 10 0 DDAERO [NH3+][C@H]1COC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000090364337 185292772 /nfs/dbraw/zinc/29/27/72/185292772.db2.gz ZOLAFAYSBRBIDV-QWRGUYRKSA-N 1 0 324.178 1.864 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(C)cc1Br ZINC000090431414 185296009 /nfs/dbraw/zinc/29/60/09/185296009.db2.gz GORWCSKJHFLZQE-BXKDBHETSA-N 1 0 313.195 1.930 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000090432859 185296095 /nfs/dbraw/zinc/29/60/95/185296095.db2.gz KBTNHPHBNKZHJE-KWQFWETISA-N 1 0 312.753 1.284 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1cc(Cl)ccc1C(=O)OC ZINC000090432957 185296443 /nfs/dbraw/zinc/29/64/43/185296443.db2.gz KPVMOFVYCNRSGG-PWSUYJOCSA-N 1 0 312.753 1.300 10 0 DDAERO CCOC(=O)CS(=O)(=O)[C@@H](C)[C@H]([NH2+]C)c1ccc(C)cc1 ZINC000082004988 192353733 /nfs/dbraw/zinc/35/37/33/192353733.db2.gz HYRGBZITBSVNMN-WFASDCNBSA-N 1 0 313.419 1.622 10 0 DDAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](SCCS(C)(=O)=O)CC2 ZINC000092389246 185315603 /nfs/dbraw/zinc/31/56/03/185315603.db2.gz KXPLXSDSVHNTIT-KGLIPLIRSA-N 1 0 315.460 1.788 10 0 DDAERO Cc1nn(C)c(C)c1CNS(=O)(=O)c1ccc(C[NH3+])s1 ZINC000092339821 185312957 /nfs/dbraw/zinc/31/29/57/185312957.db2.gz DJIMRSAPYMXUCE-UHFFFAOYSA-N 1 0 314.436 1.036 10 0 DDAERO Cc1noc(C)c1[C@@H](C)NS(=O)(=O)CCC[NH2+]C(C)C ZINC000092339909 185312964 /nfs/dbraw/zinc/31/29/64/185312964.db2.gz UVIXZQLAUCFNFK-LLVKDONJSA-N 1 0 303.428 1.660 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(C)cc1N ZINC000092622751 185329596 /nfs/dbraw/zinc/32/95/96/185329596.db2.gz QDPWEKSWDIZTOA-ZDUSSCGKSA-N 1 0 311.451 1.682 10 0 DDAERO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1c(F)cc(N)cc1F ZINC000092622127 185330043 /nfs/dbraw/zinc/33/00/43/185330043.db2.gz TXVLAUGXXSAQQS-JTQLQIEISA-N 1 0 319.377 1.262 10 0 DDAERO Cn1nccc1C1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 ZINC000092810562 185342805 /nfs/dbraw/zinc/34/28/05/185342805.db2.gz ONGCJLHFODZEJG-UHFFFAOYSA-N 1 0 304.419 1.960 10 0 DDAERO C[NH2+][C@@H]1c2cc(OC)ccc2C[C@@H]1S(=O)(=O)CCCOC ZINC000092911528 185348563 /nfs/dbraw/zinc/34/85/63/185348563.db2.gz MJPDQFLFSRQVCU-LSDHHAIUSA-N 1 0 313.419 1.332 10 0 DDAERO 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C[C@H](NC(=O)COCC[NH3+])c1ccc(Br)cc1 ZINC000093232006 193219864 /nfs/dbraw/zinc/21/98/64/193219864.db2.gz IAEBEXWVVZXMGX-VIFPVBQESA-N 1 0 301.184 1.602 10 0 DDAERO C[S@](=O)Cc1cc(NC(=O)[C@@H]2C[NH2+]CCO2)ccc1Cl ZINC000262623977 203354644 /nfs/dbraw/zinc/35/46/44/203354644.db2.gz IEGQPBKGBLWHLB-YUNKPMOVSA-N 1 0 316.810 1.145 10 0 DDAERO COCCN1C(=[NH2+])NC[C@H]1c1ccc(F)c(Br)c1 ZINC000093380533 193240654 /nfs/dbraw/zinc/24/06/54/193240654.db2.gz LDCUOYQTHXZFDM-NSHDSACASA-N 1 0 316.174 1.906 10 0 DDAERO COCCN1C(=[NH2+])NC[C@@]1(C)c1ccccc1Br ZINC000093380268 193241224 /nfs/dbraw/zinc/24/12/24/193241224.db2.gz XVUASPIGKIRQHE-ZDUSSCGKSA-N 1 0 312.211 1.941 10 0 DDAERO CC[NH2+][C@]1(C(=O)[O-])CCC[C@@H]1CC[N@H+](CC)[C@@H](C)COC ZINC000093590045 193271433 /nfs/dbraw/zinc/27/14/33/193271433.db2.gz HJDHTPWBGONAQJ-SQWLQELKSA-N 1 0 300.443 1.966 10 0 DDAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCSc1nnc(C)o1 ZINC000093630255 193277065 /nfs/dbraw/zinc/27/70/65/193277065.db2.gz GGSJBSZKRWEFFY-FZMZJTMJSA-N 1 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/nfs/dbraw/zinc/29/48/32/193294832.db2.gz LBBPRSKNICVXEK-UONOGXRCSA-N 1 0 319.515 1.366 10 0 DDAERO COCC[NH2+]C[C@@H](C)CC[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702329 193295394 /nfs/dbraw/zinc/29/53/94/193295394.db2.gz KRFMZMMUSOQALS-UONOGXRCSA-N 1 0 306.472 1.310 10 0 DDAERO C[NH2+][C@]1(C(N)=O)CCC[C@@H](Sc2nnc(N(C)C)s2)C1 ZINC000093780190 193307591 /nfs/dbraw/zinc/30/75/91/193307591.db2.gz FNGDPFOVJZZTEJ-PRHODGIISA-N 1 0 315.468 1.082 10 0 DDAERO CC(C)OCCS(=O)(=O)N(CCC[NH3+])c1cccc(F)c1 ZINC000093664686 193285784 /nfs/dbraw/zinc/28/57/84/193285784.db2.gz OJLZXIRCCHZMMW-UHFFFAOYSA-N 1 0 318.414 1.736 10 0 DDAERO CCOC(=O)[C@]1([NH3+])CC[C@H](Sc2ncnc3[nH]cnc32)C1 ZINC000093852125 193319016 /nfs/dbraw/zinc/31/90/16/193319016.db2.gz ZVFQXAZZQQIFQD-SDBXPKJASA-N 1 0 307.379 1.258 10 0 DDAERO CCc1nn(CC)c(C[C@H](O)[C@@H]2C[N@H+](C)CCN2C)c1Cl ZINC000093893702 193324146 /nfs/dbraw/zinc/32/41/46/193324146.db2.gz OUXNKPRLSAUHRN-KBPBESRZSA-N 1 0 314.861 1.268 10 0 DDAERO CC[C@@H]([NH3+])[C@H](c1cccc(OC)c1)N(C)CCS(C)(=O)=O ZINC000094297504 193356661 /nfs/dbraw/zinc/35/66/61/193356661.db2.gz ICXTZEVJVPFVEW-CABCVRRESA-N 1 0 314.451 1.450 10 0 DDAERO CN(CCS(C)(=O)=O)[C@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000094297905 193356757 /nfs/dbraw/zinc/35/67/57/193356757.db2.gz KDYBSSMWWCRNHX-GFCCVEGCSA-N 1 0 322.377 1.264 10 0 DDAERO CCS(=O)(=O)CCCOc1c(F)cc(C[NH2+]C)cc1F ZINC000094346590 193363417 /nfs/dbraw/zinc/36/34/17/193363417.db2.gz SZJIIGLZLXIYKV-UHFFFAOYSA-N 1 0 307.362 1.888 10 0 DDAERO C[NH2+]Cc1cc(F)c(OCC(=O)N[C@@H](C)COC)c(F)c1 ZINC000094346670 193363734 /nfs/dbraw/zinc/36/37/34/193363734.db2.gz UBUVKJLVVMYIRL-VIFPVBQESA-N 1 0 302.321 1.214 10 0 DDAERO Cc1cc(Br)cnc1N1CCCN(CC[NH3+])CC1 ZINC000094050186 193341416 /nfs/dbraw/zinc/34/14/16/193341416.db2.gz SCPRBGQMFXGYDF-UHFFFAOYSA-N 1 0 313.243 1.623 10 0 DDAERO CC[C@@](C)([NH3+])C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000094237046 193353460 /nfs/dbraw/zinc/35/34/60/193353460.db2.gz YXPLGNRHVKGLFN-CQSZACIVSA-N 1 0 311.407 1.193 10 0 DDAERO C[NH+](C)[C@H](CNC(=O)[C@@](C)(N)C(F)(F)F)c1cccs1 ZINC000094236637 193353506 /nfs/dbraw/zinc/35/35/06/193353506.db2.gz GTLILSWSBMFNKG-LDYMZIIASA-N 1 0 309.357 1.747 10 0 DDAERO CC[NH2+][C@H](C)c1cc(F)ccc1O[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000094618787 193385535 /nfs/dbraw/zinc/38/55/35/193385535.db2.gz IDPUPAJDPAGEJO-LQJRIPTKSA-N 1 0 317.382 1.033 10 0 DDAERO CS(=O)(=O)[C@@H]1CCC[C@H](Sc2nc(N)cc(N)[nH+]2)C1 ZINC000094637410 193387018 /nfs/dbraw/zinc/38/70/18/193387018.db2.gz RWIXOTIPMWZMGS-JGVFFNPUSA-N 1 0 302.425 1.089 10 0 DDAERO CCOC(OCC)[C@H]([NH2+]C)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094408009 193367547 /nfs/dbraw/zinc/36/75/47/193367547.db2.gz ZFFUNAVOFVYLGH-ZIAGYGMSSA-N 1 0 301.427 1.949 10 0 DDAERO CC(C)[NH2+]CCn1nnnc1S[C@H]1CCOC2(CCC2)C1 ZINC000094414407 193368298 /nfs/dbraw/zinc/36/82/98/193368298.db2.gz SKNNXRLKJSMMKU-LBPRGKRZSA-N 1 0 311.455 1.865 10 0 DDAERO CC[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CC(C)(C)S(C)(=O)=O ZINC000094435234 193369718 /nfs/dbraw/zinc/36/97/18/193369718.db2.gz GHFWZXMIRFBHNJ-ZIAGYGMSSA-N 1 0 302.484 1.758 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(N)cc1F ZINC000094457219 193370685 /nfs/dbraw/zinc/37/06/85/193370685.db2.gz HAZVJCOWWUPJDE-CMPLNLGQSA-N 1 0 313.398 1.265 10 0 DDAERO C[C@@H]1SCCC[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000094475433 193372256 /nfs/dbraw/zinc/37/22/56/193372256.db2.gz VLYYHSKCAPTXSR-GWCFXTLKSA-N 1 0 300.449 1.708 10 0 DDAERO COCCN([C@@H](C)COC)[C@@]1(C[NH3+])CSCC(C)(C)C1 ZINC000094489403 193373838 /nfs/dbraw/zinc/37/38/38/193373838.db2.gz AAAHYAXVKCUFJW-ZFWWWQNUSA-N 1 0 304.500 1.830 10 0 DDAERO [NH3+][C@H](Cc1ccc(Cl)c(Cl)c1)[C@H]1CN2CCN1CC2 ZINC000094508547 193375169 /nfs/dbraw/zinc/37/51/69/193375169.db2.gz KATIKNMQBCQKEE-ZIAGYGMSSA-N 1 0 300.233 1.863 10 0 DDAERO [NH3+][C@H](Cc1ccc(Br)cc1)[C@H]1CN2CCN1CC2 ZINC000094508363 193375174 /nfs/dbraw/zinc/37/51/74/193375174.db2.gz BYRXITAMPNIAJR-ZIAGYGMSSA-N 1 0 310.239 1.319 10 0 DDAERO [NH3+][C@@H](Cc1ccc(Cl)cc1Cl)[C@@H]1CN2CCN1CC2 ZINC000094508432 193375402 /nfs/dbraw/zinc/37/54/02/193375402.db2.gz NGMZAEXPWWYUOA-KBPBESRZSA-N 1 0 300.233 1.863 10 0 DDAERO C[NH2+][C@H](Cc1cccc(Br)c1)[C@H]1CN2CCN1CC2 ZINC000094509024 193376133 /nfs/dbraw/zinc/37/61/33/193376133.db2.gz YDBKWDKZAPHSMN-HUUCEWRRSA-N 1 0 324.266 1.579 10 0 DDAERO C[NH2+][C@@H](Cc1cc(Cl)ccc1OC)[C@H]1CN2CCN1CC2 ZINC000094509267 193376165 /nfs/dbraw/zinc/37/61/65/193376165.db2.gz QIBRTDNAJKAMLQ-LSDHHAIUSA-N 1 0 309.841 1.479 10 0 DDAERO C[C@H]1C[C@H]([NH3+])CN(c2nc(C(F)(F)F)ccc2C(N)=O)C1 ZINC000094553381 193379499 /nfs/dbraw/zinc/37/94/99/193379499.db2.gz OSISAAKOVSTQBC-YUMQZZPRSA-N 1 0 302.300 1.373 10 0 DDAERO COC(=O)c1cc(Cl)ccc1NC(=O)[C@H]1CC[C@H](C[NH3+])O1 ZINC000094565948 193380568 /nfs/dbraw/zinc/38/05/68/193380568.db2.gz VHSTVDGAMHQPKH-BXKDBHETSA-N 1 0 312.753 1.571 10 0 DDAERO [NH3+][C@H]1COC[C@@H]1C(=O)Nc1cc(Br)ccc1O ZINC000094573609 193381638 /nfs/dbraw/zinc/38/16/38/193381638.db2.gz YCGZVARJBSVVIZ-YUMQZZPRSA-N 1 0 301.140 1.067 10 0 DDAERO CCN(c1nc2c(Br)cccn2n1)[C@@H]1CC[NH2+]C1 ZINC000094608110 193384628 /nfs/dbraw/zinc/38/46/28/193384628.db2.gz ZCOYCKGUHPZBLT-SECBINFHSA-N 1 0 310.199 1.680 10 0 DDAERO C[C@@H]1C[C@@H]([NH3+])CN(c2nc3ccc(Br)cn3n2)C1 ZINC000094609320 193384799 /nfs/dbraw/zinc/38/47/99/193384799.db2.gz JXQVCOUPJDWLNS-PSASIEDQSA-N 1 0 310.199 1.665 10 0 DDAERO C[NH2+]CC1CCN(c2nc3ccc(Br)cn3n2)CC1 ZINC000094607907 193384891 /nfs/dbraw/zinc/38/48/91/193384891.db2.gz XYRBASRFNYFSBY-UHFFFAOYSA-N 1 0 324.226 1.928 10 0 DDAERO Cc1cc(F)c(N)cc1S(=O)(=O)N[C@H](C)CC[NH+](C)C ZINC000094779524 193397149 /nfs/dbraw/zinc/39/71/49/193397149.db2.gz PMQUSBXJQCIJFZ-SNVBAGLBSA-N 1 0 303.403 1.335 10 0 DDAERO CCCn1ncc(OC)c1[C@@H](C[C@H]1CCS(=O)(=O)C1)[NH2+]C ZINC000097451012 193721594 /nfs/dbraw/zinc/72/15/94/193721594.db2.gz HYMLZJKCNAQTSZ-VXGBXAGGSA-N 1 0 315.439 1.387 10 0 DDAERO [NH3+]C[C@@H](c1cc(Br)ccc1F)N1CCOCC1 ZINC000019261314 182112147 /nfs/dbraw/zinc/11/21/47/182112147.db2.gz GNSLGCLHEFKVSA-LBPRGKRZSA-N 1 0 303.175 1.920 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCCOC2CCOCC2)C1 ZINC000174234816 248359754 /nfs/dbraw/zinc/35/97/54/248359754.db2.gz MSPHRBLXHJVLNQ-AWEZNQCLSA-N 1 0 313.442 1.356 10 0 DDAERO C[C@@H]1CCN(C(=O)Nc2cc([C@@H]3CCCO3)nn2C)[C@@H](C[NH3+])C1 ZINC000333250251 248952275 /nfs/dbraw/zinc/95/22/75/248952275.db2.gz CIMQCXSAIGTUTR-BZPMIXESSA-N 1 0 321.425 1.863 10 0 DDAERO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCOCC2)cc1 ZINC000333712924 249079349 /nfs/dbraw/zinc/07/93/49/249079349.db2.gz SPKQBAOTMNYXDL-CVEARBPZSA-N 1 0 319.405 1.183 10 0 DDAERO CCOC(=O)c1nc2ccc(F)cn2c1CN1CCC[NH2+]CC1 ZINC000040686542 183118167 /nfs/dbraw/zinc/11/81/67/183118167.db2.gz FBYOKZKWXLNBKQ-UHFFFAOYSA-N 1 0 320.368 1.445 10 0 DDAERO O=C(N[C@H]1CCO[C@@H]1c1cccnc1)N[C@@H]1CCCC[NH2+]C1 ZINC000333764589 249096611 /nfs/dbraw/zinc/09/66/11/249096611.db2.gz AZBLJPVZFKNDMX-QLFBSQMISA-N 1 0 304.394 1.353 10 0 DDAERO CC[NH+](CC)[C@H](CNS(C)(=O)=O)c1ccc(OC)cc1 ZINC000040614938 183108983 /nfs/dbraw/zinc/10/89/83/183108983.db2.gz JKYFQJQOFTZQRA-CQSZACIVSA-N 1 0 300.424 1.627 10 0 DDAERO COc1cc(OC)c(Nc2nc[nH+]c(NN)c2N)cc1Cl ZINC000040783879 183134073 /nfs/dbraw/zinc/13/40/73/183134073.db2.gz WOLQGZSGZJEPSY-UHFFFAOYSA-N 1 0 310.745 1.759 10 0 DDAERO Cc1ccc(NS(=O)(=O)N2CC[NH2+]CC2)c2cccnc12 ZINC000040861045 183143945 /nfs/dbraw/zinc/14/39/45/183143945.db2.gz HUUKOFVZWVPJGN-UHFFFAOYSA-N 1 0 306.391 1.105 10 0 DDAERO NC(=O)c1ccsc1NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000040859407 183142811 /nfs/dbraw/zinc/14/28/11/183142811.db2.gz OHVQXDQCYYNBDZ-GFCCVEGCSA-N 1 0 301.371 1.500 10 0 DDAERO Cc1nnc([C@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)[nH]1 ZINC000334004341 249175362 /nfs/dbraw/zinc/17/53/62/249175362.db2.gz STSSVOHGTXFCMN-UONOGXRCSA-N 1 0 305.426 1.692 10 0 DDAERO [NH3+][C@H]1CCCN(CC(=O)Nc2cccc(Br)c2)C1 ZINC000041028819 183157293 /nfs/dbraw/zinc/15/72/93/183157293.db2.gz LGFSGLDBYKOGQW-NSHDSACASA-N 1 0 312.211 1.811 10 0 DDAERO OCC[C@H]1CSCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000336711018 249231764 /nfs/dbraw/zinc/23/17/64/249231764.db2.gz LCYJQVQKTJZMFH-JKSUJKDBSA-N 1 0 311.447 1.364 10 0 DDAERO CC(=O)NCCC(=O)N[C@@H](C)C[N@H+](Cc1ccccc1)C(C)C ZINC000041310793 183184882 /nfs/dbraw/zinc/18/48/82/183184882.db2.gz GHLZFSREIVSSSN-HNNXBMFYSA-N 1 0 319.449 1.928 10 0 DDAERO NS(=O)(=O)c1ccc(Cn2ccc3c2CCC[C@H]3[NH3+])cc1 ZINC000041728171 183218389 /nfs/dbraw/zinc/21/83/89/183218389.db2.gz DYOSHCVKVAHMQT-CQSZACIVSA-N 1 0 305.403 1.520 10 0 DDAERO CN(C)S(=O)(=O)c1ccc(NC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000042166643 183238381 /nfs/dbraw/zinc/23/83/81/183238381.db2.gz SFGXJSKTBOGRCW-LBPRGKRZSA-N 1 0 311.407 1.018 10 0 DDAERO CC(C)NC(=O)COc1c(Br)cccc1CC[NH3+] ZINC000042412643 183266249 /nfs/dbraw/zinc/26/62/49/183266249.db2.gz XUEKMUCXVGYBBL-UHFFFAOYSA-N 1 0 315.211 1.854 10 0 DDAERO CCO[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2C[NH3+])C1 ZINC000042424150 183268354 /nfs/dbraw/zinc/26/83/54/183268354.db2.gz BWWGRRGFIRKPAR-OAHLLOKOSA-N 1 0 312.435 1.476 10 0 DDAERO C[NH+](C)CC1CCN(C(=O)c2cccc(C(N)=S)c2)CC1 ZINC000042388218 183262558 /nfs/dbraw/zinc/26/25/58/183262558.db2.gz TUAXKFALSDKCKM-UHFFFAOYSA-N 1 0 305.447 1.735 10 0 DDAERO CC[NH2+]C[C@H](O)CN(C)Cc1cc(Br)cs1 ZINC000042399016 183264005 /nfs/dbraw/zinc/26/40/05/183264005.db2.gz GXIWOVNHYXFVEV-JTQLQIEISA-N 1 0 307.257 1.913 10 0 DDAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)N(CC(F)(F)F)C1CC1 ZINC000042782464 183309162 /nfs/dbraw/zinc/30/91/62/183309162.db2.gz JZZBEPQRWOMMGQ-VIFPVBQESA-N 1 0 300.346 1.485 10 0 DDAERO CC[C@@H]([NH3+])[C@H](c1ccc(Br)s1)N(C)CC(N)=O ZINC000043259818 183348926 /nfs/dbraw/zinc/34/89/26/183348926.db2.gz FNHNVNXAZKZLJR-RDDDGLTNSA-N 1 0 320.256 1.706 10 0 DDAERO CC[NH2+][C@@H](c1cc(OC)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300885 183352583 /nfs/dbraw/zinc/35/25/83/183352583.db2.gz FARBZLPZMBEHKK-IAQYHMDHSA-N 1 0 313.419 1.789 10 0 DDAERO CC(C)N(CC(N)=O)[C@H](C[NH3+])c1ccccc1Br ZINC000043093224 183335633 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CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H](O)Cc1ccccc1 ZINC000105148393 194078986 /nfs/dbraw/zinc/07/89/86/194078986.db2.gz VAISFYKFWIDOFD-IAGOWNOFSA-N 1 0 321.465 1.866 10 0 DDAERO COCC[N@@H+]1CCN(C[C@H](O)c2c(F)cccc2F)C[C@@H]1C ZINC000105833845 194142875 /nfs/dbraw/zinc/14/28/75/194142875.db2.gz CYFBHQPUIJHWEO-WFASDCNBSA-N 1 0 314.376 1.651 10 0 DDAERO CCOCC[N@@H+]1CCN([C@@H](C)C(=O)NCC(C)C)C[C@H]1CC ZINC000105837976 194144140 /nfs/dbraw/zinc/14/41/40/194144140.db2.gz LMXJGLZHVNZSNL-JKSUJKDBSA-N 1 0 313.486 1.580 10 0 DDAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)N(C)Cc2ccccc2)c1 ZINC000105881199 194156232 /nfs/dbraw/zinc/15/62/32/194156232.db2.gz PXBJDFLLPRIOPW-HNNXBMFYSA-N 1 0 300.406 1.828 10 0 DDAERO COCCCCC[NH+]1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000105916647 194168008 /nfs/dbraw/zinc/16/80/08/194168008.db2.gz HVFQPBNTBIOUSW-UHFFFAOYSA-N 1 0 308.470 1.971 10 0 DDAERO COC(=O)CC[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000105918184 194169411 /nfs/dbraw/zinc/16/94/11/194169411.db2.gz 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Cc1ccc(C(=O)NC2CC[NH+](CC(N)=S)CC2)cc1O ZINC000110825462 194362302 /nfs/dbraw/zinc/36/23/02/194362302.db2.gz KYCOCGGMFCJYNZ-UHFFFAOYSA-N 1 0 307.419 1.181 10 0 DDAERO CCN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1cc(C)ccc1OC ZINC000110941642 194372020 /nfs/dbraw/zinc/37/20/20/194372020.db2.gz KDPKONXHLNHIGX-ZDUSSCGKSA-N 1 0 312.435 1.766 10 0 DDAERO CCCNc1ncccc1S(=O)(=O)N(C)CC[NH+](C)C ZINC000111151106 194396354 /nfs/dbraw/zinc/39/63/54/194396354.db2.gz FSDLMSRBLZEEFB-UHFFFAOYSA-N 1 0 300.428 1.086 10 0 DDAERO C[NH2+][C@H](Cc1sccc1Br)CS(C)(=O)=O ZINC000060705802 184154589 /nfs/dbraw/zinc/15/45/89/184154589.db2.gz OMFUJBXDKPWNPE-SSDOTTSWSA-N 1 0 312.254 1.686 10 0 DDAERO O=S(=O)(C[C@@H]1CCC[NH2+]C1)Nc1cc(F)cc(F)c1F ZINC000061120917 184162693 /nfs/dbraw/zinc/16/26/93/184162693.db2.gz HESPMWMCWMZNCM-MRVPVSSYSA-N 1 0 308.325 1.845 10 0 DDAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000061233374 184166677 /nfs/dbraw/zinc/16/66/77/184166677.db2.gz FJBUMRKSSKCFKR-MRVPVSSYSA-N 1 0 319.814 1.172 10 0 DDAERO CC(C)[C@@H](C[NH+](C)C)Nc1nc(Cl)nc(-n2cccn2)n1 ZINC000061539289 184173595 /nfs/dbraw/zinc/17/35/95/184173595.db2.gz ODFPXNZKKXONJJ-SNVBAGLBSA-N 1 0 309.805 1.709 10 0 DDAERO CC[NH+](CC)C[C@@H](C)Nc1nc(Cl)nc(-n2cncn2)n1 ZINC000061541598 184174095 /nfs/dbraw/zinc/17/40/95/184174095.db2.gz ZINLZJKACCMEQS-SECBINFHSA-N 1 0 310.793 1.248 10 0 DDAERO CC[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C)c1ccc(OC)cc1 ZINC000061592630 184175907 /nfs/dbraw/zinc/17/59/07/184175907.db2.gz QBWDCCMHISBLNY-VXGBXAGGSA-N 1 0 308.407 1.688 10 0 DDAERO CCn1c(S[C@@H](c2ccccc2OC)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594398 184176146 /nfs/dbraw/zinc/17/61/46/184176146.db2.gz BIYXSGYDRCYXLT-BXKDBHETSA-N 1 0 308.407 1.781 10 0 DDAERO CC(C)n1cc(NS(=O)(=O)CC[C@H]2CCCC[NH2+]2)cn1 ZINC000061683998 184182334 /nfs/dbraw/zinc/18/23/34/184182334.db2.gz IAJIKWPFQHNRQZ-GFCCVEGCSA-N 1 0 300.428 1.738 10 0 DDAERO CNS(=O)(=O)c1ccc(N(C)c2ccc(C[NH3+])cc2)cc1 ZINC000061950890 184198365 /nfs/dbraw/zinc/19/83/65/184198365.db2.gz YJIPUEVGJCHFFD-UHFFFAOYSA-N 1 0 305.403 1.821 10 0 DDAERO O=C(Nc1ccccc1S(=O)(=O)C(F)F)[C@H]1CC[NH2+]C1 ZINC000062114040 184206561 /nfs/dbraw/zinc/20/65/61/184206561.db2.gz DRRQHLCYYXILME-QMMMGPOBSA-N 1 0 304.318 1.231 10 0 DDAERO COCC[NH2+]Cc1c(N2CCOC[C@@H]2C)nc2sccn12 ZINC000062735814 184251386 /nfs/dbraw/zinc/25/13/86/184251386.db2.gz NBPRHHYWTSHVPM-NSHDSACASA-N 1 0 310.423 1.357 10 0 DDAERO COCC[NH2+]Cc1c(N2CCC[C@H]2CO)nc2sccn12 ZINC000062736782 184251546 /nfs/dbraw/zinc/25/15/46/184251546.db2.gz CPZWVQUJSFUKTH-NSHDSACASA-N 1 0 310.423 1.093 10 0 DDAERO C[C@@H]1CN[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)C[NH2+]1 ZINC000062813816 184253977 /nfs/dbraw/zinc/25/39/77/184253977.db2.gz SJCMULLUSKNNNS-BXKDBHETSA-N 1 0 301.312 1.272 10 0 DDAERO C[C@@H]1CN[C@@H](C(=O)NCc2ccccc2C(F)(F)F)C[NH2+]1 ZINC000062815660 184254068 /nfs/dbraw/zinc/25/40/68/184254068.db2.gz AJPHKJLXFDEGFI-BXKDBHETSA-N 1 0 301.312 1.272 10 0 DDAERO C[C@@H]1CN[C@H](C(=O)Nc2ccccc2OC(F)(F)F)C[NH2+]1 ZINC000062813896 184254375 /nfs/dbraw/zinc/25/43/75/184254375.db2.gz FCZLBKAUMPLUBH-SCZZXKLOSA-N 1 0 303.284 1.474 10 0 DDAERO Nc1cc(F)ccc1S(=O)(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062940597 184261050 /nfs/dbraw/zinc/26/10/50/184261050.db2.gz DZCLYVMSXGXIQK-GFCCVEGCSA-N 1 0 313.398 1.267 10 0 DDAERO CCC1(CC)CCN(C2(C[NH3+])CCS(=O)(=O)CC2)CC1 ZINC000062952542 184262089 /nfs/dbraw/zinc/26/20/89/184262089.db2.gz CWJBNAIUFDCTOZ-UHFFFAOYSA-N 1 0 302.484 1.795 10 0 DDAERO [NH3+][C@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1F ZINC000063213987 184278802 /nfs/dbraw/zinc/27/88/02/184278802.db2.gz VIKKKRWRDCEMAY-RYUDHWBXSA-N 1 0 304.362 1.903 10 0 DDAERO [NH3+][C@@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000063213664 184279027 /nfs/dbraw/zinc/27/90/27/184279027.db2.gz VSSKFZFMQBXQCA-ZIAGYGMSSA-N 1 0 310.419 1.560 10 0 DDAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2cc(N)cc(Cl)c2F)C1 ZINC000062965383 184262827 /nfs/dbraw/zinc/26/28/27/184262827.db2.gz RZUHWGBOTYXPFR-SECBINFHSA-N 1 0 321.805 1.386 10 0 DDAERO C[NH+](C)[C@H]1CCN(c2ncc(Br)cc2CO)C1 ZINC000062967487 184263374 /nfs/dbraw/zinc/26/33/74/184263374.db2.gz KRRLRWSLVOEIFX-NSHDSACASA-N 1 0 300.200 1.477 10 0 DDAERO COc1cc(CC[NH3+])cc(OC)c1OCCCS(C)(=O)=O ZINC000063017521 184267092 /nfs/dbraw/zinc/26/70/92/184267092.db2.gz HBQMAFCQBPDMAJ-UHFFFAOYSA-N 1 0 317.407 1.019 10 0 DDAERO CCO[C@@H](C[NH3+])CCSc1ccc(S(C)(=O)=O)cc1 ZINC000063131529 184272201 /nfs/dbraw/zinc/27/22/01/184272201.db2.gz HNPWCBCRXDPLCV-LLVKDONJSA-N 1 0 303.449 1.936 10 0 DDAERO Cc1cccc(N(CCC[NH3+])S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000063154834 184274231 /nfs/dbraw/zinc/27/42/31/184274231.db2.gz DSQNJLUHHRZNKS-HNNXBMFYSA-N 1 0 312.435 1.659 10 0 DDAERO NC(=O)CN1CCC([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000069381234 184511187 /nfs/dbraw/zinc/51/11/87/184511187.db2.gz WNNYEYTVHIBFHW-ZYHUDNBSSA-N 1 0 307.360 1.647 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)CSC[C@H]2CCCCO2)CCO1 ZINC000116784947 194770027 /nfs/dbraw/zinc/77/00/27/194770027.db2.gz XWWCXHWFEWYXDD-ZIAGYGMSSA-N 1 0 316.467 1.078 10 0 DDAERO CC/C=C(/C)C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000159135511 197330193 /nfs/dbraw/zinc/33/01/93/197330193.db2.gz UQFAIIFWUGDKCP-JJKQHFEOSA-N 1 0 302.418 1.878 10 0 DDAERO Cc1ccc(N2C[C@@H]3OCC[N@@H+](Cc4ccco4)C[C@@H]3C2)nn1 ZINC000247922931 257114031 /nfs/dbraw/zinc/11/40/31/257114031.db2.gz OLWNFBSJAUXXOX-ZBFHGGJFSA-N 1 0 314.389 1.715 10 0 DDAERO Cc1csc(NC(=O)[C@@H]2C[C@@H]3[C@@H](CC[N@@H+]3[C@@H]3CCOC3)O2)n1 ZINC000247947708 257114647 /nfs/dbraw/zinc/11/46/47/257114647.db2.gz IQUDXOMADKESGL-LPWJVIDDSA-N 1 0 323.418 1.411 10 0 DDAERO CO[C@@H]1CCN(C(=O)c2ccoc2)[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC000247843870 257116441 /nfs/dbraw/zinc/11/64/41/257116441.db2.gz OXNQASJFKDNWKG-OWCLPIDISA-N 1 0 304.390 1.851 10 0 DDAERO O=C(NC[C@@]12COC[C@@H]1C[N@H+](Cc1ccoc1)C2)C1CCC1 ZINC000247466923 257119796 /nfs/dbraw/zinc/11/97/96/257119796.db2.gz CWLWWVCNPJEBKR-DOTOQJQBSA-N 1 0 304.390 1.644 10 0 DDAERO CCc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)o1 ZINC000328619162 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CC[C@@H](C)N1CCN(S(=O)(=O)c2ccc(C[NH2+]C)o2)CC1 ZINC000088544475 185257158 /nfs/dbraw/zinc/25/71/58/185257158.db2.gz BSHZMVDTMSIHEZ-GFCCVEGCSA-N 1 0 315.439 1.104 10 0 DDAERO NS(=O)(=O)c1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)o1 ZINC000088539098 185255388 /nfs/dbraw/zinc/25/53/88/185255388.db2.gz BKCCMVAKWHFYAK-UHFFFAOYSA-N 1 0 310.419 1.841 10 0 DDAERO CSC[C@@H](C)C[NH2+]Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000088540804 185255862 /nfs/dbraw/zinc/25/58/62/185255862.db2.gz HLFUGNDMPZPWGA-JTQLQIEISA-N 1 0 306.453 1.619 10 0 DDAERO CC[NH+](CC)C[C@H](C)NCc1ccc(S(=O)(=O)N(C)C)o1 ZINC000088540605 185255914 /nfs/dbraw/zinc/25/59/14/185255914.db2.gz WNXCMJQAYKGYCR-LBPRGKRZSA-N 1 0 317.455 1.350 10 0 DDAERO CC[C@@H]([NH2+]C)c1cccc(S(=O)(=O)NCc2c[nH]cn2)c1 ZINC000088751572 185264025 /nfs/dbraw/zinc/26/40/25/185264025.db2.gz ZEYLVJXJWIIQRC-CQSZACIVSA-N 1 0 308.407 1.559 10 0 DDAERO CC(C)C[NH2+]CCc1nnc([C@H]2CCS(=O)(=O)C2)s1 ZINC000088824055 185266707 /nfs/dbraw/zinc/26/67/07/185266707.db2.gz 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JUNWYZZCURSRTR-NZSAHSFTSA-N 1 0 317.477 1.960 10 0 DDAERO CCS(=O)(=O)CCn1nc(C)c(C[C@@H](C)C[NH2+]C)c1C ZINC000092323579 185312245 /nfs/dbraw/zinc/31/22/45/185312245.db2.gz LHVYJGBJMXBVEA-LLVKDONJSA-N 1 0 301.456 1.333 10 0 DDAERO CCC[NH2+]C[C@@H](C)Cc1c(C)nn(CCS(C)(=O)=O)c1C ZINC000092323523 185312374 /nfs/dbraw/zinc/31/23/74/185312374.db2.gz HOXKOOQUBXQOFC-LBPRGKRZSA-N 1 0 315.483 1.723 10 0 DDAERO Cc1noc(C)c1[C@H](C)NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000092339878 185313047 /nfs/dbraw/zinc/31/30/47/185313047.db2.gz VUNOJSHZFNZZCH-JTQLQIEISA-N 1 0 309.391 1.790 10 0 DDAERO O=C(N[C@@H]1CCCc2sccc21)c1cn(C2C[NH2+]C2)nn1 ZINC000092702458 185334380 /nfs/dbraw/zinc/33/43/80/185334380.db2.gz BUCIJUUOKSHIKP-LLVKDONJSA-N 1 0 303.391 1.291 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)NCc2ccccc2-n2cccn2)C1 ZINC000170834932 282261367 /nfs/dbraw/zinc/26/13/67/282261367.db2.gz INSAEFOOYFXIAO-HNNXBMFYSA-N 1 0 313.405 1.718 10 0 DDAERO CC1(C)C(NS(=O)(=O)c2ccc(OCC[NH3+])cc2)C1(C)C ZINC000092833323 185344926 /nfs/dbraw/zinc/34/49/26/185344926.db2.gz WXXNCSNDJWJHLO-UHFFFAOYSA-N 1 0 312.435 1.737 10 0 DDAERO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000092951887 185350376 /nfs/dbraw/zinc/35/03/76/185350376.db2.gz JGWVHLDFXLLHMB-PSASIEDQSA-N 1 0 316.810 1.680 10 0 DDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000111266059 185567991 /nfs/dbraw/zinc/56/79/91/185567991.db2.gz AAZAVBWCBVUDDY-PSASIEDQSA-N 1 0 300.355 1.023 10 0 DDAERO O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1nnc[nH]1 ZINC000381772965 539504341 /nfs/dbraw/zinc/50/43/41/539504341.db2.gz BHELHOMUJQRENO-RRFJBIMHSA-N 1 0 311.389 1.445 10 0 DDAERO CC[NH2+][C@H](C)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 ZINC000111713638 185628977 /nfs/dbraw/zinc/62/89/77/185628977.db2.gz MMWMWTOOGQMPSN-ZWNOBZJWSA-N 1 0 314.455 1.425 10 0 DDAERO COCC[NH2+]C[C@H]1CCCN(S(=O)(=O)C2CCCCC2)C1 ZINC000111720021 185631540 /nfs/dbraw/zinc/63/15/40/185631540.db2.gz YKBBFMGVDAFBOK-CQSZACIVSA-N 1 0 318.483 1.597 10 0 DDAERO C[C@@H]1C[NH2+]C[C@@H](C)N1S(=O)(=O)c1cccc(Cl)c1F ZINC000069133909 190800937 /nfs/dbraw/zinc/80/09/37/190800937.db2.gz NKJBLAGICIRPHX-RKDXNWHRSA-N 1 0 306.790 1.850 10 0 DDAERO O=C(Nc1ccnn1C1C[NH2+]C1)c1ccoc1Br ZINC000725258767 539569828 /nfs/dbraw/zinc/56/98/28/539569828.db2.gz ZIUMUJUBIUPKMH-UHFFFAOYSA-N 1 0 311.139 1.635 10 0 DDAERO CCCS(=O)(=O)c1ccc(N(CCC[NH3+])CCOC)cc1 ZINC000071223801 190944994 /nfs/dbraw/zinc/94/49/94/190944994.db2.gz ZJDKHIMYTZAJKL-UHFFFAOYSA-N 1 0 314.451 1.672 10 0 DDAERO Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000083721596 192379306 /nfs/dbraw/zinc/37/93/06/192379306.db2.gz WBQPCDCZJQTLFY-QWHCGFSZSA-N 1 0 306.414 1.062 10 0 DDAERO NC(=[NH2+])CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000083761948 192382146 /nfs/dbraw/zinc/38/21/46/192382146.db2.gz PNGYYBIQZQFCTH-UHFFFAOYSA-N 1 0 309.313 1.700 10 0 DDAERO CC[C@H](C)[C@@H]1CN(CCS(C)(=O)=O)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071356403 190962592 /nfs/dbraw/zinc/96/25/92/190962592.db2.gz CMKQDOCAVCARIE-AEGPPILISA-N 1 0 302.484 1.520 10 0 DDAERO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000083750051 192381386 /nfs/dbraw/zinc/38/13/86/192381386.db2.gz FJBMIFUSELFDEL-AWEZNQCLSA-N 1 0 318.425 1.159 10 0 DDAERO COc1ccc(NS(=O)(=O)CC[NH3+])cc1Br ZINC000083869464 192387845 /nfs/dbraw/zinc/38/78/45/192387845.db2.gz JODPUTSZJZDZKT-UHFFFAOYSA-N 1 0 309.185 1.158 10 0 DDAERO [NH3+]C[C@@H]1c2cccc(C(F)(F)F)c2CN1CCOCCO ZINC000071684163 191008252 /nfs/dbraw/zinc/00/82/52/191008252.db2.gz RQIBLVHHCPBMPY-CYBMUJFWSA-N 1 0 304.312 1.530 10 0 DDAERO CC[NH+](CC)CCCNC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000170881782 197845351 /nfs/dbraw/zinc/84/53/51/197845351.db2.gz OGTNHEASIRZGOS-OAHLLOKOSA-N 1 0 307.442 1.999 10 0 DDAERO CN(C(=O)Cc1ccc2cc(N)ccc2n1)C1CC[NH+](C)CC1 ZINC000071698015 191009453 /nfs/dbraw/zinc/00/94/53/191009453.db2.gz ZBXNGNCCAZIBSG-UHFFFAOYSA-N 1 0 312.417 1.912 10 0 DDAERO CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@H]1CNC(=O)C1 ZINC000152609942 186089664 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C[NH+](C)C[C@H]1CN(C[C@@H]2CN(c3ccccc3)C(=O)O2)CCO1 ZINC000172794542 198149767 /nfs/dbraw/zinc/14/97/67/198149767.db2.gz MFJCOCSTDXSASB-JKSUJKDBSA-N 1 0 319.405 1.274 10 0 DDAERO C[NH+](C)CCOc1cc(F)c(I)cc1N ZINC000085108555 192481077 /nfs/dbraw/zinc/48/10/77/192481077.db2.gz QATLDDWZMHAHSP-UHFFFAOYSA-N 1 0 324.137 1.953 10 0 DDAERO C[C@@H](O)CN1CCN(C(=O)CSc2ccccc2)C[C@@H]1C ZINC000174321965 198319019 /nfs/dbraw/zinc/31/90/19/198319019.db2.gz QDGITXNBCROHFG-UONOGXRCSA-N 1 0 308.447 1.692 10 0 DDAERO [NH3+]C[C@H]1CCC[C@H]1Nc1ncc(I)cn1 ZINC000126268958 354053282 /nfs/dbraw/zinc/05/32/82/354053282.db2.gz PWBIGGKQPGMSST-VXNVDRBHSA-N 1 0 318.162 1.621 10 0 DDAERO CCc1ccc([C@H](C)[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)cc1 ZINC000154940451 354209453 /nfs/dbraw/zinc/20/94/53/354209453.db2.gz WGNWJNQXYPCDCA-QWHCGFSZSA-N 1 0 305.422 1.493 10 0 DDAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)C1 ZINC000262318149 354392449 /nfs/dbraw/zinc/39/24/49/354392449.db2.gz VBSSNPAPCGSQCG-SOUVJXGZSA-N 1 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/nfs/dbraw/zinc/00/04/18/192000418.db2.gz QUDIMBZVDIOUPK-GZMMTYOYSA-N 1 0 308.325 1.787 10 0 DDAERO C[C@@H](NS(=O)(=O)c1ccc(CC[NH3+])cc1)c1nccs1 ZINC000080315230 192023305 /nfs/dbraw/zinc/02/33/05/192023305.db2.gz BXTFGQQIPMWPOX-SNVBAGLBSA-N 1 0 311.432 1.684 10 0 DDAERO Cc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000080995287 192210043 /nfs/dbraw/zinc/21/00/43/192210043.db2.gz PLLWIRZHUHOGOD-GFCCVEGCSA-N 1 0 311.407 1.113 10 0 DDAERO C[NH2+][C@@H]1CCC[C@@H]1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000081541246 192285936 /nfs/dbraw/zinc/28/59/36/192285936.db2.gz OMSCRYYFMIVQTR-NXEZZACHSA-N 1 0 303.332 1.501 10 0 DDAERO COCC[C@@H](C)[NH2+]C[C@H](O)COCCc1scnc1C ZINC000081712142 192316122 /nfs/dbraw/zinc/31/61/22/192316122.db2.gz RLWRTUZRRAQRGW-YPMHNXCESA-N 1 0 302.440 1.386 10 0 DDAERO CCN(CC(=O)Nc1cccc(OC)c1)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000236907618 202065741 /nfs/dbraw/zinc/06/57/41/202065741.db2.gz ZBJCUCIOMAKTRF-HUUCEWRRSA-N 1 0 319.405 1.610 10 0 DDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCN(Cc2cccc(O)c2)CC1 ZINC000236953399 202091571 /nfs/dbraw/zinc/09/15/71/202091571.db2.gz GHCABOYMTPOXCS-CZUORRHYSA-N 1 0 305.422 1.410 10 0 DDAERO C[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1C[C@@H]1CCS(=O)(=O)C1 ZINC000086261533 192557489 /nfs/dbraw/zinc/55/74/89/192557489.db2.gz BKYYBFWGGGXUMK-YCPHGPKFSA-N 1 0 314.495 1.664 10 0 DDAERO COc1cc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])ccc1N1CCCC1=O ZINC000237154256 202169169 /nfs/dbraw/zinc/16/91/69/202169169.db2.gz QTWFTFUNURCKDR-STQMWFEESA-N 1 0 317.389 1.888 10 0 DDAERO C[NH2+]Cc1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c[nH]1 ZINC000088915902 192656061 /nfs/dbraw/zinc/65/60/61/192656061.db2.gz HOGFOAORJHVZBJ-NSHDSACASA-N 1 0 305.403 1.874 10 0 DDAERO C[C@@H]1CCC[C@@H](N(C)S(=O)(=O)c2cnn(CC[NH3+])c2)C1 ZINC000088995600 192687938 /nfs/dbraw/zinc/68/79/38/192687938.db2.gz VJIVAKHPNIBJEY-VXGBXAGGSA-N 1 0 300.428 1.041 10 0 DDAERO COCOc1ccc(OC)cc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179549583 199052875 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1.990 10 0 DDAERO CN(c1ncnc(Oc2cccnc2)c1N)C1CC[NH+](C)CC1 ZINC000040798290 183135187 /nfs/dbraw/zinc/13/51/87/183135187.db2.gz JKYQEHWDZATSBL-UHFFFAOYSA-N 1 0 314.393 1.777 10 0 DDAERO CC(C)C[C@H](CNS(=O)(=O)c1cccnc1Cl)[NH+](C)C ZINC000040805773 183136084 /nfs/dbraw/zinc/13/60/84/183136084.db2.gz UPQCZQWNTFRISR-LLVKDONJSA-N 1 0 319.858 1.990 10 0 DDAERO C[NH+](C)Cc1ccc(NS(=O)(=O)c2ccc(=O)[nH]c2)cc1 ZINC000040830178 183139072 /nfs/dbraw/zinc/13/90/72/183139072.db2.gz MAENMZWBGSRLOV-UHFFFAOYSA-N 1 0 307.375 1.237 10 0 DDAERO CCN(c1ccc(S(N)(=O)=O)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748776 183128852 /nfs/dbraw/zinc/12/88/52/183128852.db2.gz KLYSJGSGIVRGBZ-ONXXMXGDSA-N 1 0 309.435 1.443 10 0 DDAERO CC(C)c1ccc([C@H](C)NS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000040860607 183143738 /nfs/dbraw/zinc/14/37/38/183143738.db2.gz VXSLCJGKUDQBRC-ZDUSSCGKSA-N 1 0 311.451 1.611 10 0 DDAERO CC1CC[NH+](CCNS(=O)(=O)c2cc(N)ccc2F)CC1 ZINC000040771158 183131268 /nfs/dbraw/zinc/13/12/68/183131268.db2.gz 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ZINC000042768397 183307068 /nfs/dbraw/zinc/30/70/68/183307068.db2.gz NIIHKSLVVAOZBW-UHFFFAOYSA-N 1 0 310.341 1.859 10 0 DDAERO CCN([C@@H](C)COC)S(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000042782197 183308456 /nfs/dbraw/zinc/30/84/56/183308456.db2.gz APNXUWITUYABFK-NWDGAFQWSA-N 1 0 300.424 1.752 10 0 DDAERO COCCNC(=O)CN(C)[C@@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000043253823 183348210 /nfs/dbraw/zinc/34/82/10/183348210.db2.gz YIJHJFBLOBUVCQ-NOZJJQNGSA-N 1 0 319.858 1.484 10 0 DDAERO C[C@H]([NH3+])[C@@H](c1ccc(Br)s1)N(CCO)CCO ZINC000043261269 183348930 /nfs/dbraw/zinc/34/89/30/183348930.db2.gz BQJIASUZOMKWMC-KWQFWETISA-N 1 0 323.256 1.186 10 0 DDAERO COc1ccc([C@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)c(OC)c1OC ZINC000043300001 183351952 /nfs/dbraw/zinc/35/19/52/183351952.db2.gz FADDDIRZHUGENZ-BXKDBHETSA-N 1 0 315.391 1.147 10 0 DDAERO [NH3+][C@@H](c1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000043300053 183352321 /nfs/dbraw/zinc/35/23/21/183352321.db2.gz DLJCNXZXQXDWMX-PRHODGIISA-N 1 0 317.794 1.546 10 0 DDAERO C[NH2+][C@@H](c1cc2c(c(Cl)c1)OCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000043300681 183352507 /nfs/dbraw/zinc/35/25/07/183352507.db2.gz YUNSJJAMUWRCOL-PRHODGIISA-N 1 0 317.794 1.764 10 0 DDAERO COc1ccc(Cl)c(NS(=O)(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000043318863 183354028 /nfs/dbraw/zinc/35/40/28/183354028.db2.gz WJJAZVJVZAVOMP-VIFPVBQESA-N 1 0 304.799 1.842 10 0 DDAERO C[C@H]([NH3+])[C@@H](Oc1ccc(S(C)(=O)=O)cc1)c1ccncc1 ZINC000043356232 183356614 /nfs/dbraw/zinc/35/66/14/183356614.db2.gz BZNNLRROQCICBZ-XHDPSFHLSA-N 1 0 306.387 1.952 10 0 DDAERO CCOC(=O)[C@H](NCC[NH+](C)C)c1ccc(O)c(Cl)c1 ZINC000043489527 183366545 /nfs/dbraw/zinc/36/65/45/183366545.db2.gz IGHHOJHYGKONCG-CYBMUJFWSA-N 1 0 300.786 1.801 10 0 DDAERO CC(C)[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccc(N)cc1F ZINC000043593121 183374488 /nfs/dbraw/zinc/37/44/88/183374488.db2.gz ULJNVXCBSHFSJV-GFCCVEGCSA-N 1 0 303.403 1.272 10 0 DDAERO O=C(NCc1cc(Br)ccc1F)[C@H]1C[NH2+]CCO1 ZINC000043801200 183386063 /nfs/dbraw/zinc/38/60/63/183386063.db2.gz DYZWCCCYBXBJMO-LLVKDONJSA-N 1 0 317.158 1.193 10 0 DDAERO CCc1nn2c(nc(CN3CCCC[C@H]3C[NH3+])cc2=O)s1 ZINC000044559021 183421414 /nfs/dbraw/zinc/42/14/14/183421414.db2.gz AQUOBEXTHWYGKV-NSHDSACASA-N 1 0 307.423 1.027 10 0 DDAERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCc2cc(C)on2)cc1 ZINC000044728275 183436528 /nfs/dbraw/zinc/43/65/28/183436528.db2.gz YCNIEEHEQBAPMG-NSHDSACASA-N 1 0 309.391 1.742 10 0 DDAERO CC[NH2+][C@H]1CCN(Cc2ccc(S(C)(=O)=O)cc2)C[C@@H]1C ZINC000045173753 183488093 /nfs/dbraw/zinc/48/80/93/183488093.db2.gz VDJGESSWJNWMDP-BBRMVZONSA-N 1 0 310.463 1.910 10 0 DDAERO CC(=O)N1CCC(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000105312900 194095229 /nfs/dbraw/zinc/09/52/29/194095229.db2.gz GJRXVYYLJVHUKC-INIZCTEOSA-N 1 0 322.453 1.125 10 0 DDAERO CC[C@@H]1CN(Cc2cccc(C(N)=O)c2)CC[N@@H+]1C[C@@H](C)O ZINC000105827054 194136887 /nfs/dbraw/zinc/13/68/87/194136887.db2.gz IZCQFKOWEBKAPH-CZUORRHYSA-N 1 0 305.422 1.063 10 0 DDAERO CC[C@@H]1CN([C@@H](C)C(=O)NCCC(C)C)CC[N@@H+]1CCOC ZINC000105836727 194142571 /nfs/dbraw/zinc/14/25/71/194142571.db2.gz NEMIDDYSMVUDKM-JKSUJKDBSA-N 1 0 313.486 1.580 10 0 DDAERO O[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105883981 194156509 /nfs/dbraw/zinc/15/65/09/194156509.db2.gz IRVWTVDSBYHPOW-DLBZAZTESA-N 1 0 300.406 1.594 10 0 DDAERO C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105926373 194171766 /nfs/dbraw/zinc/17/17/66/194171766.db2.gz PJJJBGYJTUQMGA-DOTOQJQBSA-N 1 0 319.449 1.296 10 0 DDAERO CC[C@H]1CN(CCC(=O)OC(C)(C)C)CC[N@@H+]1CCOC ZINC000105914364 194169313 /nfs/dbraw/zinc/16/93/13/194169313.db2.gz HFUPQVMQBXIERA-AWEZNQCLSA-N 1 0 300.443 1.761 10 0 DDAERO C[NH+](C)C[C@@H]1CN(CCCOCCc2ccccc2)CCO1 ZINC000105924713 194170561 /nfs/dbraw/zinc/17/05/61/194170561.db2.gz SXEUBQHTUFPMGR-GOSISDBHSA-N 1 0 306.450 1.898 10 0 DDAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)Nc1cccc(Cl)c1 ZINC000105932672 194173590 /nfs/dbraw/zinc/17/35/90/194173590.db2.gz OYEUFIYSTURNMB-SMDDNHRTSA-N 1 0 311.813 1.587 10 0 DDAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H](O)C2)cc1 ZINC000048967290 183699680 /nfs/dbraw/zinc/69/96/80/183699680.db2.gz AWMCNBVIZLRLNC-AWEZNQCLSA-N 1 0 312.435 1.332 10 0 DDAERO CC(C)C[C@@H](CN(C)C)[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC000049555808 183741071 /nfs/dbraw/zinc/74/10/71/183741071.db2.gz IFAMJEVTPKMEJD-JYJNAYRXSA-N 1 0 302.459 1.109 10 0 DDAERO Cc1ccc(N(CCC[NH3+])S(=O)(=O)C2CCOCC2)cc1 ZINC000050198873 183777039 /nfs/dbraw/zinc/77/70/39/183777039.db2.gz XFUSWSXBDWCWCN-UHFFFAOYSA-N 1 0 312.435 1.659 10 0 DDAERO CCN(C(CC)(CC)C[NH3+])S(=O)(=O)N1CCC(C)CC1 ZINC000050093713 183772956 /nfs/dbraw/zinc/77/29/56/183772956.db2.gz MVBIAYNSXXIZTQ-UHFFFAOYSA-N 1 0 305.488 1.803 10 0 DDAERO Cc1ccc(NC(=O)N2CC[NH+]([C@@H](C)C(N)=S)CC2)cc1 ZINC000109466508 194266469 /nfs/dbraw/zinc/26/64/69/194266469.db2.gz UAJGGRMVLPFXLY-LBPRGKRZSA-N 1 0 306.435 1.819 10 0 DDAERO C[C@@H](C(N)=S)[NH+]1CCN(c2cnc3ccccc3n2)CC1 ZINC000109471294 194266836 /nfs/dbraw/zinc/26/68/36/194266836.db2.gz PLGROKPDGHIFQH-NSHDSACASA-N 1 0 301.419 1.426 10 0 DDAERO CCCOCCC(=O)N1CC[NH+](C(C)(C)C(N)=S)CC1 ZINC000109466070 194266885 /nfs/dbraw/zinc/26/68/85/194266885.db2.gz YRIHMRKRBCMYSM-UHFFFAOYSA-N 1 0 301.456 1.012 10 0 DDAERO C[C@H]1Cc2ccccc2N(C2(C[NH3+])CCS(=O)(=O)CC2)C1 ZINC000110027757 194304513 /nfs/dbraw/zinc/30/45/13/194304513.db2.gz UDAAKBGENWRVSG-ZDUSSCGKSA-N 1 0 308.447 1.591 10 0 DDAERO CC(C)C[NH2+]CCN(C)c1ccccc1S(=O)(=O)N(C)C ZINC000053692871 183909876 /nfs/dbraw/zinc/90/98/76/183909876.db2.gz VFGWBNRCGRLXDO-UHFFFAOYSA-N 1 0 313.467 1.619 10 0 DDAERO CCOc1cccc(N2CC[NH+]([C@H](CC)C(N)=S)CC2)n1 ZINC000110542005 194338653 /nfs/dbraw/zinc/33/86/53/194338653.db2.gz UMOPUBOHDQRDJE-GFCCVEGCSA-N 1 0 308.451 1.667 10 0 DDAERO C[C@@H]([NH3+])c1ccc(S(=O)(=O)N2CCN(C)C(C)(C)C2)cc1 ZINC000110763506 194357552 /nfs/dbraw/zinc/35/75/52/194357552.db2.gz LVHMSZGWHOXUQM-GFCCVEGCSA-N 1 0 311.451 1.421 10 0 DDAERO Cc1ccc(C(=O)NC2CC[NH+](CC(N)=S)CC2)c(O)c1 ZINC000110825873 194362026 /nfs/dbraw/zinc/36/20/26/194362026.db2.gz VVKLODAPIUYLNG-UHFFFAOYSA-N 1 0 307.419 1.181 10 0 DDAERO CCCOc1ccc(S(=O)(=O)N(C)[C@H]2CCC[NH2+]C2)cc1 ZINC000110927734 194369797 /nfs/dbraw/zinc/36/97/97/194369797.db2.gz RSMPWOXNVXGEGP-ZDUSSCGKSA-N 1 0 312.435 1.848 10 0 DDAERO CCCOc1ccc(S(=O)(=O)N(C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000110927731 194370294 /nfs/dbraw/zinc/37/02/94/194370294.db2.gz RSMPWOXNVXGEGP-CYBMUJFWSA-N 1 0 312.435 1.848 10 0 DDAERO CCN(Cc1csc(CC(=O)N(C)C)n1)[C@@H]1CCC[NH2+]C1 ZINC000110942570 194372380 /nfs/dbraw/zinc/37/23/80/194372380.db2.gz HFVWCGVMPHLZTD-CYBMUJFWSA-N 1 0 310.467 1.348 10 0 DDAERO Cc1ccc([C@H](C[NH3+])N(C)[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000110977197 194376299 /nfs/dbraw/zinc/37/62/99/194376299.db2.gz UYAKBUBRSUGSDO-OCCSQVGLSA-N 1 0 300.399 1.253 10 0 DDAERO CC[NH2+][C@@H](C)c1sc(N2CCS(=O)(=O)CC2)nc1C ZINC000054904093 183953994 /nfs/dbraw/zinc/95/39/94/183953994.db2.gz BCGJTDKQMFTVOQ-VIFPVBQESA-N 1 0 303.453 1.357 10 0 DDAERO CN(C[C@H]1CCCOC1)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000111179706 194399427 /nfs/dbraw/zinc/39/94/27/194399427.db2.gz MZMHRNQXWUUXLH-LLVKDONJSA-N 1 0 318.464 1.296 10 0 DDAERO CCNc1cc(S(=O)(=O)N(C)CCC[NH+](C)C)ccn1 ZINC000111151270 194396455 /nfs/dbraw/zinc/39/64/55/194396455.db2.gz MHVPGCFIYOTCTI-UHFFFAOYSA-N 1 0 300.428 1.086 10 0 DDAERO C[NH+](C)CCCNC(=O)c1cc(N)c(F)cc1Br ZINC000061079486 184161372 /nfs/dbraw/zinc/16/13/72/184161372.db2.gz GYVCZAFEBOVSNS-UHFFFAOYSA-N 1 0 318.190 1.852 10 0 DDAERO C[C@H](NC(=O)CN1CCC[NH2+]CC1)c1ccc(Cl)s1 ZINC000061270614 184167235 /nfs/dbraw/zinc/16/72/35/184167235.db2.gz LSBGRJXYOFVHJA-JTQLQIEISA-N 1 0 301.843 1.874 10 0 DDAERO CC[NH2+][C@@H](C)CC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000061273918 184167476 /nfs/dbraw/zinc/16/74/76/184167476.db2.gz ZFQGKLSALQAHOF-RYUDHWBXSA-N 1 0 312.435 1.655 10 0 DDAERO CC[NH2+]CCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000061290963 184167560 /nfs/dbraw/zinc/16/75/60/184167560.db2.gz GFTNATKLWSBQTG-UHFFFAOYSA-N 1 0 306.334 1.621 10 0 DDAERO O=c1cccnn1CC[NH2+]Cc1cc(Br)cs1 ZINC000061405246 184170111 /nfs/dbraw/zinc/17/01/11/184170111.db2.gz QLHAXNLKOMLGEL-UHFFFAOYSA-N 1 0 314.208 1.857 10 0 DDAERO CC[N@@H+]1CC[C@@H](CNc2nc(Cl)nc(-n3cccn3)n2)C1 ZINC000061538134 184173199 /nfs/dbraw/zinc/17/31/99/184173199.db2.gz GBWRCZWSENVQLY-JTQLQIEISA-N 1 0 307.789 1.464 10 0 DDAERO CCCn1c(S[C@H](C[NH3+])c2ccc(OC)cc2)n[nH]c1=O ZINC000061594912 184176710 /nfs/dbraw/zinc/17/67/10/184176710.db2.gz KHTLPEXBHNBPFJ-GFCCVEGCSA-N 1 0 308.407 1.782 10 0 DDAERO C[NH+](C)CCN1CCN(C(=O)c2ccc(Cl)c(N)c2)CC1 ZINC000061641967 184180639 /nfs/dbraw/zinc/18/06/39/184180639.db2.gz RGOGLCRNTQWHCJ-UHFFFAOYSA-N 1 0 310.829 1.242 10 0 DDAERO Cc1cc(F)ccc1S(=O)(=O)NC[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000062037593 184202661 /nfs/dbraw/zinc/20/26/61/184202661.db2.gz IXKCTENPSKUNBI-NEPJUHHUSA-N 1 0 300.399 1.801 10 0 DDAERO COc1ccc(CNS(=O)(=O)c2ccc(C[NH3+])cc2)cn1 ZINC000062072853 184204575 /nfs/dbraw/zinc/20/45/75/184204575.db2.gz RGLKEMXASATAGY-UHFFFAOYSA-N 1 0 307.375 1.027 10 0 DDAERO CCN[C@@H](CC[N@H+](CCN(C)C)CC(C)C)C(=O)OCC ZINC000062456119 184237043 /nfs/dbraw/zinc/23/70/43/184237043.db2.gz OFNMXFLUHXZLNY-HNNXBMFYSA-N 1 0 301.475 1.437 10 0 DDAERO COc1ccc(-c2nnc(CNCCC[NH+](C)C)o2)cc1OC ZINC000062651400 184246459 /nfs/dbraw/zinc/24/64/59/184246459.db2.gz VWURHGYIFANOBC-UHFFFAOYSA-N 1 0 320.393 1.795 10 0 DDAERO COCCN(C)CC[NH2+]Cc1ccc(O)c(Br)c1 ZINC000062702880 184248085 /nfs/dbraw/zinc/24/80/85/184248085.db2.gz KVJZLWPVDMLIQZ-UHFFFAOYSA-N 1 0 317.227 1.823 10 0 DDAERO COCC[NH2+]C[C@@H](CCCS(C)(=O)=O)Cc1ccccc1 ZINC000063018473 184267518 /nfs/dbraw/zinc/26/75/18/184267518.db2.gz SONUHNIRXDWACF-INIZCTEOSA-N 1 0 313.463 1.906 10 0 DDAERO CS(=O)(=O)c1ccc(Sc2ccnc(C(N)=[NH2+])c2)cc1 ZINC000063131368 184272196 /nfs/dbraw/zinc/27/21/96/184272196.db2.gz AAOREOYUBVAKPK-UHFFFAOYSA-N 1 0 307.400 1.920 10 0 DDAERO CC(C)COc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000063175503 184276129 /nfs/dbraw/zinc/27/61/29/184276129.db2.gz RGDAPLPITGIYIK-GJZGRUSLSA-N 1 0 312.435 1.880 10 0 DDAERO [NH3+][C@H]1CCC[C@H]1NS(=O)(=O)c1ccccc1Br ZINC000063174842 184276282 /nfs/dbraw/zinc/27/62/82/184276282.db2.gz IBRJAKIPXBELOP-VHSXEESVSA-N 1 0 319.224 1.607 10 0 DDAERO CC[C@@H](C)[NH2+]CC(=O)Nc1cccc(C(=O)NCCCOC)c1 ZINC000066068188 184386408 /nfs/dbraw/zinc/38/64/08/184386408.db2.gz NJRYLPXXFKTJAL-CYBMUJFWSA-N 1 0 321.421 1.780 10 0 DDAERO COCCCNC(=O)c1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000066152664 184393662 /nfs/dbraw/zinc/39/36/62/184393662.db2.gz VNVPRNYUYOQMHZ-AWEZNQCLSA-N 1 0 319.405 1.391 10 0 DDAERO CCC[NH2+]Cc1ccc(S(=O)(=O)NCCSC)cc1 ZINC000069456889 184516650 /nfs/dbraw/zinc/51/66/50/184516650.db2.gz KBRUJQWZWMRNMB-UHFFFAOYSA-N 1 0 302.465 1.828 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(CC(=O)N(C)c2ccccc2)CC1 ZINC000118856635 194936827 /nfs/dbraw/zinc/93/68/27/194936827.db2.gz HGPXXPJSZQTTAT-INIZCTEOSA-N 1 0 305.422 1.038 10 0 DDAERO CC[C@@H](C)Oc1cc(CNC(=O)[C@H]([NH3+])CCSC)ccn1 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317.433 1.707 10 0 DDAERO c1ccc(C[N@H+]2CC[C@@H]3CO[C@@H](CN4CCOCC4)[C@@H]3C2)cc1 ZINC000263621727 257103966 /nfs/dbraw/zinc/10/39/66/257103966.db2.gz CCXNLURHYTZBJT-QRVBRYPASA-N 1 0 316.445 1.856 10 0 DDAERO COCCN1CC[C@@]2(C[N@H+](Cc3cccnc3)C[C@@H]2C)C1=O ZINC000253613845 257104236 /nfs/dbraw/zinc/10/42/36/257104236.db2.gz OJWWUHWUHFAHKI-YOEHRIQHSA-N 1 0 303.406 1.398 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)Nc1cc(Cl)cc(Cl)c1 ZINC000414673091 224370999 /nfs/dbraw/zinc/37/09/99/224370999.db2.gz BOTYUEJEHBHIJG-WRWORJQWSA-N 1 0 304.177 1.695 10 0 DDAERO CCNC(=O)NC1(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)CCCC1 ZINC000261974306 285559558 /nfs/dbraw/zinc/55/95/58/285559558.db2.gz LSQJPFYIVBBABB-GFCCVEGCSA-N 1 0 310.442 1.204 10 0 DDAERO C[C@@H]1CN(c2ccc(S(=O)(=O)NC3CC3)cc2)C[C@H](C)[NH2+]1 ZINC000053712006 134770751 /nfs/dbraw/zinc/77/07/51/134770751.db2.gz KICBBRBCRGTAOG-TXEJJXNPSA-N 1 0 309.435 1.314 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH2+]C2CCC(NC(C)=O)CC2)C12CCOCC2 ZINC000186307668 286277388 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ZINC000109292592 407397022 /nfs/dbraw/zinc/39/70/22/407397022.db2.gz BVYQPIVAMQQKIS-UHFFFAOYSA-N 1 0 322.453 1.623 10 0 DDAERO CC(C)(CNC(=O)N[C@@H]1CCc2ncnn2C1)[NH+]1CCCCC1 ZINC000112740279 407438449 /nfs/dbraw/zinc/43/84/49/407438449.db2.gz OHKQLILVSCPZRS-CYBMUJFWSA-N 1 0 320.441 1.157 10 0 DDAERO CCC(=O)N1CCC[C@H](C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000113231354 407477369 /nfs/dbraw/zinc/47/73/69/407477369.db2.gz BGSPTAUNXHXGPF-KKUMJFAQSA-N 1 0 307.438 1.330 10 0 DDAERO COc1ccccc1CNC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113271152 407486284 /nfs/dbraw/zinc/48/62/84/407486284.db2.gz LJNCDKPSGGIJRE-GDBMZVCRSA-N 1 0 317.433 1.480 10 0 DDAERO CSCc1noc(CCC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000178545555 407488258 /nfs/dbraw/zinc/48/82/58/407488258.db2.gz DYSISNDBVQHCTP-LLVKDONJSA-N 1 0 310.423 1.172 10 0 DDAERO NC(=O)[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1COc1ccccc1 ZINC000253413343 407441654 /nfs/dbraw/zinc/44/16/54/407441654.db2.gz UNYGFGGPQFQOKN-WMLDXEAASA-N 1 0 311.385 1.694 10 0 DDAERO CCCC(=O)N1CCCC[C@H]1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195247720 407444009 /nfs/dbraw/zinc/44/40/09/407444009.db2.gz MUWXZTFQYUOBJO-CVEARBPZSA-N 1 0 321.465 1.864 10 0 DDAERO CCCC(=O)N1CCCC[C@@H]1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195247708 407444925 /nfs/dbraw/zinc/44/49/25/407444925.db2.gz MUWXZTFQYUOBJO-HZPDHXFCSA-N 1 0 321.465 1.864 10 0 DDAERO [NH3+]C[C@@H]1CCCN1S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000261613977 407553120 /nfs/dbraw/zinc/55/31/20/407553120.db2.gz AOUUQIGOLVSUMO-QMMMGPOBSA-N 1 0 324.324 1.539 10 0 DDAERO CC(C)CNC(=O)N1CCC[C@H](CC(=O)NCC[C@@H](C)[NH3+])C1 ZINC000178704361 407555157 /nfs/dbraw/zinc/55/51/57/407555157.db2.gz IIZDQGDYROIMGD-ZIAGYGMSSA-N 1 0 312.458 1.308 10 0 DDAERO CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CN(C)CC(C)(C)[NH3+])n1 ZINC000261627537 407556852 /nfs/dbraw/zinc/55/68/52/407556852.db2.gz CFOPKLVHYSEXBL-STQMWFEESA-N 1 0 324.448 1.129 10 0 DDAERO Cc1ccc(CSCCNC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261662610 407572172 /nfs/dbraw/zinc/57/21/72/407572172.db2.gz BEJYBEJEDBJEBT-UHFFFAOYSA-N 1 0 308.447 1.852 10 0 DDAERO COc1ccc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cn1 ZINC000113585621 407515788 /nfs/dbraw/zinc/51/57/88/407515788.db2.gz MCPWYWIQGORJCG-GXTWGEPZSA-N 1 0 304.394 1.468 10 0 DDAERO C[NH+](C)C[C@H]1CN(Cc2c[nH]nc2-c2ccccc2F)CCO1 ZINC000128260723 407518230 /nfs/dbraw/zinc/51/82/30/407518230.db2.gz DAORQISPYFRWIJ-AWEZNQCLSA-N 1 0 318.396 1.978 10 0 DDAERO CCN(CC)C(=O)CCCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113595361 407519781 /nfs/dbraw/zinc/51/97/81/407519781.db2.gz BRCADXABZOGNCC-LSDHHAIUSA-N 1 0 324.469 1.513 10 0 DDAERO Cn1c(C[NH2+][C@H](CC(N)=O)C2CCCCC2)nnc1C1CC1 ZINC000181987479 306701468 /nfs/dbraw/zinc/70/14/68/306701468.db2.gz SIQSNNRSPUZBLI-CYBMUJFWSA-N 1 0 305.426 1.606 10 0 DDAERO COc1ccc([C@@H](C)NC(=O)[C@H]([NH3+])C2CCOCC2)cc1F ZINC000261760023 407603563 /nfs/dbraw/zinc/60/35/63/407603563.db2.gz FGSHTPKIZCENFO-MEBBXXQBSA-N 1 0 310.369 1.765 10 0 DDAERO [NH3+][C@H](C(=O)Nc1ccn(Cc2ccncc2)n1)C1CCOCC1 ZINC000261768092 407607616 /nfs/dbraw/zinc/60/76/16/407607616.db2.gz MDWAXPIYECVAJM-HNNXBMFYSA-N 1 0 315.377 1.019 10 0 DDAERO [NH3+]C1(C(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)CCOCC1 ZINC000261802595 407618386 /nfs/dbraw/zinc/61/83/86/407618386.db2.gz JAKNLMWBAZUVBG-CQSZACIVSA-N 1 0 321.396 1.419 10 0 DDAERO O[C@H](COC1CCOCC1)C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152351075 407620753 /nfs/dbraw/zinc/62/07/53/407620753.db2.gz GFRNKWZAJGTPAN-YOEHRIQHSA-N 1 0 322.405 1.091 10 0 DDAERO C[C@@H]1C[C@@H](C[NH3+])CN1c1ncnc2c1cnn2-c1ccccc1 ZINC000261818963 407625683 /nfs/dbraw/zinc/62/56/83/407625683.db2.gz HDTAIDMHPQEQET-OLZOCXBDSA-N 1 0 308.389 1.989 10 0 DDAERO CCO[C@H]1C[C@@H]([NH2+]CCN(C)CCCOC)C12CCOCC2 ZINC000186358690 407647451 /nfs/dbraw/zinc/64/74/51/407647451.db2.gz DPYQTIFZBRLVFI-CVEARBPZSA-N 1 0 314.470 1.519 10 0 DDAERO CN1CCO[C@@H](CNC(=O)c2ccc3nc(Cl)ccc3c2)C1 ZINC000171287481 407649824 /nfs/dbraw/zinc/64/98/24/407649824.db2.gz GCSBWJMZDFYLMN-ZDUSSCGKSA-N 1 0 319.792 1.949 10 0 DDAERO CC(C)N(CC(=O)Nc1ccc(F)cc1)Cc1noc(CN)n1 ZINC000261886467 407657284 /nfs/dbraw/zinc/65/72/84/407657284.db2.gz ZDOTZFZUNLUEHI-UHFFFAOYSA-N 1 0 321.356 1.517 10 0 DDAERO CSCCCCCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000186172725 407594806 /nfs/dbraw/zinc/59/48/06/407594806.db2.gz KMSVPTGMEGWYNK-UONOGXRCSA-N 1 0 317.499 1.616 10 0 DDAERO NC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)c1 ZINC000261918377 407672708 /nfs/dbraw/zinc/67/27/08/407672708.db2.gz JZEQIYMIDVWMKX-ARFHVFGLSA-N 1 0 303.406 1.032 10 0 DDAERO Cc1nccc(-c2cccc(NC(=O)C3([NH3+])CCOCC3)c2)n1 ZINC000261925316 407675473 /nfs/dbraw/zinc/67/54/73/407675473.db2.gz VNDHVXMIRRPMBK-UHFFFAOYSA-N 1 0 312.373 1.898 10 0 DDAERO CN(Cc1ccc(F)cc1Cl)C(=O)C1([NH3+])CCOCC1 ZINC000261936332 407679771 /nfs/dbraw/zinc/67/97/71/407679771.db2.gz WXZKVGHJZWGRIX-UHFFFAOYSA-N 1 0 300.761 1.945 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)NCC(C)(C)c2ccncc2)CCO1 ZINC000130345312 407680267 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CCC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H](C)CCOC)o1 ZINC000088551399 185257590 /nfs/dbraw/zinc/25/75/90/185257590.db2.gz RBUIZQQXOKDDKQ-NSHDSACASA-N 1 0 304.412 1.483 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1sc2nccnc2c1N ZINC000088639624 185260670 /nfs/dbraw/zinc/26/06/70/185260670.db2.gz JXRPASSXOXBNQD-VIFPVBQESA-N 1 0 305.407 1.488 10 0 DDAERO CC[C@@H]1CN(C(=O)NCc2cscn2)CC[N@@H+]1C[C@H](C)O ZINC000248459310 539272010 /nfs/dbraw/zinc/27/20/10/539272010.db2.gz RHEHKQNGMCSCCZ-WCQYABFASA-N 1 0 312.439 1.130 10 0 DDAERO CCCN(CC[NH+](C)C)S(=O)(=O)c1cccc(CO)c1C ZINC000088895165 185270048 /nfs/dbraw/zinc/27/00/48/185270048.db2.gz FHFDKELEZPEDIO-UHFFFAOYSA-N 1 0 314.451 1.450 10 0 DDAERO C[NH2+][C@H](C[S@](=O)CCCOC)c1cc(OC)ccc1OC ZINC000081998729 192353312 /nfs/dbraw/zinc/35/33/12/192353312.db2.gz JRXBTYGVEGOTPC-SZNDQCEHSA-N 1 0 315.435 1.750 10 0 DDAERO CCN(Cc1c(Br)c(C)nn1CC)C1C[NH2+]C1 ZINC000090292158 185289582 /nfs/dbraw/zinc/28/95/82/185289582.db2.gz OIRWMOIMXWJSBR-UHFFFAOYSA-N 1 0 301.232 1.768 10 0 DDAERO CCCN(CC(=O)Nc1ccc(OC)c(Cl)c1)C1C[NH2+]C1 ZINC000090293912 185289895 /nfs/dbraw/zinc/28/98/95/185289895.db2.gz FPBWREKZNSULLC-UHFFFAOYSA-N 1 0 311.813 1.971 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NS(=O)(=O)c1cc(C)sc1C ZINC000090313063 185290791 /nfs/dbraw/zinc/29/07/91/185290791.db2.gz CTUUORCVNJVXEK-FOGDFJRCSA-N 1 0 304.437 1.148 10 0 DDAERO COc1cc(Cl)ccc1S(=O)(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090321972 185291030 /nfs/dbraw/zinc/29/10/30/185291030.db2.gz CGTILKSOCZYPIP-NXEZZACHSA-N 1 0 316.810 1.189 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1c(F)cccc1F ZINC000090337056 185291935 /nfs/dbraw/zinc/29/19/35/185291935.db2.gz YVSVKUVDEUEOFO-ZJUUUORDSA-N 1 0 316.373 1.583 10 0 DDAERO COCCC[S@](=O)C[C@@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000081999115 192353914 /nfs/dbraw/zinc/35/39/14/192353914.db2.gz XABTZMCJEGIYJG-MPBGBICISA-N 1 0 301.408 1.489 10 0 DDAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cc(C(N)=O)ccc1Cl ZINC000090489132 185298860 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CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cccnc1NC ZINC000092672962 185333099 /nfs/dbraw/zinc/33/30/99/185333099.db2.gz BXCVDYLABNKSJA-GFCCVEGCSA-N 1 0 312.439 1.228 10 0 DDAERO C[C@H](NC(=O)c1cn(C2C[NH2+]C2)nn1)c1ccccc1Cl ZINC000092701889 185333897 /nfs/dbraw/zinc/33/38/97/185333897.db2.gz QFKYUVHBWPBMAW-VIFPVBQESA-N 1 0 305.769 1.567 10 0 DDAERO CC[NH2+][C@@H]1C(=O)Nc2cc(OCCO)c(Br)cc21 ZINC000092776291 185339813 /nfs/dbraw/zinc/33/98/13/185339813.db2.gz MQUDYVRJUZMXJU-NSHDSACASA-N 1 0 315.167 1.423 10 0 DDAERO CCC[NH2+]CCCN(C)S(=O)(=O)NC1C(C)(C)C1(C)C ZINC000092833205 185344884 /nfs/dbraw/zinc/34/48/84/185344884.db2.gz LAWNDOXZTHEBFP-UHFFFAOYSA-N 1 0 305.488 1.577 10 0 DDAERO Cc1cc(NC(=O)[C@H]2CC[NH2+][C@@H]2C)ccc1NS(C)(=O)=O ZINC000092952740 185350316 /nfs/dbraw/zinc/35/03/16/185350316.db2.gz XDNXEDDBOORIHI-PWSUYJOCSA-N 1 0 311.407 1.303 10 0 DDAERO CCN(CC)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000181476973 199303109 /nfs/dbraw/zinc/30/31/09/199303109.db2.gz AYSNTMOFIPSOPJ-INIZCTEOSA-N 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321.396 1.418 10 0 DDAERO C[C@H]([NH3+])c1ccc(SC[C@@H](O)CO)c(Br)c1 ZINC000086659723 192587743 /nfs/dbraw/zinc/58/77/43/192587743.db2.gz RGRUHZPLHXPLLV-CBAPKCEASA-N 1 0 306.225 1.914 10 0 DDAERO CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCCS(=O)(=O)CC ZINC000086982384 192606565 /nfs/dbraw/zinc/60/65/65/192606565.db2.gz AMIRBIWXZGMZPR-UONOGXRCSA-N 1 0 304.500 1.910 10 0 DDAERO CCC1CCC(O)(C[NH2+]C[C@@H](O)COc2cnsn2)CC1 ZINC000087066260 192620572 /nfs/dbraw/zinc/62/05/72/192620572.db2.gz JLBGZBHFJNXGGN-MBHSVXNSSA-N 1 0 315.439 1.199 10 0 DDAERO C[NH2+]CCCn1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000088919504 192657531 /nfs/dbraw/zinc/65/75/31/192657531.db2.gz MNRZXRZEQOBPJW-STQMWFEESA-N 1 0 314.455 1.159 10 0 DDAERO C[NH2+]CCCn1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000088919505 192658633 /nfs/dbraw/zinc/65/86/33/192658633.db2.gz MNRZXRZEQOBPJW-CHWSQXEVSA-N 1 0 314.455 1.159 10 0 DDAERO COC1CCN(S(=O)(=O)c2ccc(F)c(C[NH3+])c2F)CC1 ZINC000088954712 192668087 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CC[C@H](C)CNS(=O)(=O)c1ccc(OCCC[NH3+])cc1 ZINC000089026027 192705341 /nfs/dbraw/zinc/70/53/41/192705341.db2.gz PQUBKURZIJOYMZ-LBPRGKRZSA-N 1 0 300.424 1.739 10 0 DDAERO [NH3+]Cc1cc(S(=O)(=O)NCc2ccsc2)ccc1F ZINC000089035735 192710892 /nfs/dbraw/zinc/71/08/92/192710892.db2.gz CDFQCBCEMCEUQM-UHFFFAOYSA-N 1 0 300.380 1.824 10 0 DDAERO C[NH2+]C[C@@H](Cc1c(Cl)c(C)nn1C)[C@@H]1CCS(=O)(=O)C1 ZINC000089254429 192751486 /nfs/dbraw/zinc/75/14/86/192751486.db2.gz DNEMPMSVORXQES-GHMZBOCLSA-N 1 0 319.858 1.195 10 0 DDAERO O=S1(=O)CC[C@H]([NH2+]C[C@H]2CCC[C@@H]2CO)c2ccccc21 ZINC000089493575 192801528 /nfs/dbraw/zinc/80/15/28/192801528.db2.gz CRPSGYPZYOJGCY-NFAWXSAZSA-N 1 0 309.431 1.903 10 0 DDAERO CN1C(=O)CCc2cc(C[NH2+][C@H]3CCc4ncnn4C3)ccc21 ZINC000187218747 200078810 /nfs/dbraw/zinc/07/88/10/200078810.db2.gz AAVMBUKIWBXLDW-AWEZNQCLSA-N 1 0 311.389 1.292 10 0 DDAERO CN(CC1(O)CCOCC1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000188069759 200189958 /nfs/dbraw/zinc/18/99/58/200189958.db2.gz HIYGNEUAYQAGCZ-MRXNPFEDSA-N 1 0 320.433 1.159 10 0 DDAERO C[C@@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccc(F)c(F)c1 ZINC000188244958 200215096 /nfs/dbraw/zinc/21/50/96/200215096.db2.gz OCIFEKPMIGIZHH-MRVPVSSYSA-N 1 0 306.316 1.825 10 0 DDAERO O=C1[C@@H]2Cc3ccccc3CN2C(=O)N1CC[NH+]1CCCCC1 ZINC000006117375 181313771 /nfs/dbraw/zinc/31/37/71/181313771.db2.gz NVEMUXYGTVZYIT-INIZCTEOSA-N 1 0 313.401 1.861 10 0 DDAERO CCCCOC[C@@H](O)C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000193364199 201039754 /nfs/dbraw/zinc/03/97/54/201039754.db2.gz CXSBXNQGQBVHTD-KRWDZBQOSA-N 1 0 308.422 1.692 10 0 DDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccccc1N(C)C(=O)C1CC1 ZINC000193606924 201086650 /nfs/dbraw/zinc/08/66/50/201086650.db2.gz YGXHFNNBUMLIKP-SWLSCSKDSA-N 1 0 315.417 1.930 10 0 DDAERO [NH3+]CCc1nc(C(=O)N2CC(=O)Nc3ccccc32)cs1 ZINC000090946441 192960592 /nfs/dbraw/zinc/96/05/92/192960592.db2.gz XRNBPYLERAZLGE-UHFFFAOYSA-N 1 0 302.359 1.243 10 0 DDAERO CNC(=O)Nc1ccc(NC(=O)C[C@H]2CSCC[NH2+]2)cc1 ZINC000091135179 193000978 /nfs/dbraw/zinc/00/09/78/193000978.db2.gz APTVZBDJNUKGFO-LBPRGKRZSA-N 1 0 308.407 1.472 10 0 DDAERO O=S1(=O)CC[C@@H](n2ncc(C[NH2+]C3CC3)c2C(F)F)C1 ZINC000091336199 193043546 /nfs/dbraw/zinc/04/35/46/193043546.db2.gz OMZRILSYWYOOIV-SNVBAGLBSA-N 1 0 305.350 1.432 10 0 DDAERO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cnc(Cl)s2)C1 ZINC000091393700 193050799 /nfs/dbraw/zinc/05/07/99/193050799.db2.gz CDAXBZQXHOYNTO-QMMMGPOBSA-N 1 0 309.844 1.511 10 0 DDAERO CC(C)(C)[NH2+]Cc1ccc(S(=O)(=O)NCC2CC(O)C2)o1 ZINC000091524582 193068864 /nfs/dbraw/zinc/06/88/64/193068864.db2.gz SKEMFUDPAPFSJX-UHFFFAOYSA-N 1 0 316.423 1.217 10 0 DDAERO CCC[NH2+][C@@H](CCCS(C)(=O)=O)C(C)(C)N1CCOCC1 ZINC000091567180 193074526 /nfs/dbraw/zinc/07/45/26/193074526.db2.gz LTLMWSUFKZXTNG-AWEZNQCLSA-N 1 0 320.499 1.290 10 0 DDAERO CCn1nc(C)c(Br)c1C[C@](C)(O)CC[NH2+]C ZINC000091467092 193060449 /nfs/dbraw/zinc/06/04/49/193060449.db2.gz NEKANKBPXKPWMF-GFCCVEGCSA-N 1 0 304.232 1.877 10 0 DDAERO CSC1(C[NH3+])CCN(c2ncc(Br)cn2)CC1 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CCO[C@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+]C)cc2)C1 ZINC000042425737 183268752 /nfs/dbraw/zinc/26/87/52/183268752.db2.gz MQEDOBFKVZFVIB-AWEZNQCLSA-N 1 0 312.435 1.596 10 0 DDAERO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CCO)C2CC2)cc1 ZINC000042481084 183275215 /nfs/dbraw/zinc/27/52/15/183275215.db2.gz UPLDEAAUBDNRAK-LBPRGKRZSA-N 1 0 312.435 1.503 10 0 DDAERO CC(C)N(CC(F)(F)F)S(=O)(=O)C[C@H]1CCC[NH2+]C1 ZINC000042782501 183308904 /nfs/dbraw/zinc/30/89/04/183308904.db2.gz FCKLVDCSJVOHDC-JTQLQIEISA-N 1 0 302.362 1.589 10 0 DDAERO C[NH2+][C@@H](c1cnn(-c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300389 183352139 /nfs/dbraw/zinc/35/21/39/183352139.db2.gz HBZVZOJQAXSWLI-IUODEOHRSA-N 1 0 305.403 1.568 10 0 DDAERO COC(=O)[C@@H](C)Oc1c(Br)cc(C[NH3+])cc1OC ZINC000043625363 183376086 /nfs/dbraw/zinc/37/60/86/183376086.db2.gz AHFLNXYDZILWIW-SSDOTTSWSA-N 1 0 318.167 1.857 10 0 DDAERO CC(C)C[N@H+](CCC(N)=S)[C@H](C)C(=O)NCc1ccco1 ZINC000043418386 183360933 /nfs/dbraw/zinc/36/09/33/183360933.db2.gz 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218170850 /nfs/dbraw/zinc/17/08/50/218170850.db2.gz XEKILTAFCAWYRX-ZFWWWQNUSA-N 1 0 310.369 1.382 10 0 DDAERO COC(=O)c1cccc(CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000105820645 194136308 /nfs/dbraw/zinc/13/63/08/194136308.db2.gz IQKHJJLLHHKFLK-UONOGXRCSA-N 1 0 306.406 1.360 10 0 DDAERO COc1ccc(NC(=O)CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1 ZINC000105821649 194136941 /nfs/dbraw/zinc/13/69/41/194136941.db2.gz VYFHQXOWURLUQI-UONOGXRCSA-N 1 0 321.421 1.021 10 0 DDAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)NCc1ccccc1F ZINC000105871987 194151974 /nfs/dbraw/zinc/15/19/74/194151974.db2.gz KKMPGVUYDNUZCQ-YPMHNXCESA-N 1 0 317.368 1.027 10 0 DDAERO O[C@H](C[N@@H+]1CCC[C@H](n2cncn2)C1)c1ccc(F)cc1F ZINC000105898881 194164669 /nfs/dbraw/zinc/16/46/69/194164669.db2.gz YMMJREUZDLNGSG-SWLSCSKDSA-N 1 0 308.332 1.927 10 0 DDAERO CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@]1(C)O ZINC000339134000 250307493 /nfs/dbraw/zinc/30/74/93/250307493.db2.gz BSEGAIPTMSHRSH-RBSFLKMASA-N 1 0 318.483 1.331 10 0 DDAERO CC[C@H](C[NH3+])N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000109455020 194264400 /nfs/dbraw/zinc/26/44/00/194264400.db2.gz PNNYWABWRLLDSB-GFCCVEGCSA-N 1 0 302.344 1.960 10 0 DDAERO CC[C@@H](C(N)=S)[NH+]1CCN(C(=O)c2ncccc2C)CC1 ZINC000109461995 194265262 /nfs/dbraw/zinc/26/52/62/194265262.db2.gz HWBBYHJDPQSGMC-LBPRGKRZSA-N 1 0 306.435 1.213 10 0 DDAERO Cc1cccc(C(=O)N2CC[NH+](C(C)(C)C(N)=S)CC2)c1 ZINC000109465457 194266117 /nfs/dbraw/zinc/26/61/17/194266117.db2.gz XYAVASSNLFPRKY-UHFFFAOYSA-N 1 0 305.447 1.818 10 0 DDAERO C[C@H](C(N)=S)[NH+]1CCN(c2ncccc2C(F)(F)F)CC1 ZINC000109471316 194267611 /nfs/dbraw/zinc/26/76/11/194267611.db2.gz WUICHDFRSUNKBY-SECBINFHSA-N 1 0 318.368 1.897 10 0 DDAERO COCC[C@H]([NH3+])C(=O)Nc1cccc(Cl)c1-n1cncn1 ZINC000052792539 183873985 /nfs/dbraw/zinc/87/39/85/183873985.db2.gz MIZOLONGOVFEPN-JTQLQIEISA-N 1 0 309.757 1.223 10 0 DDAERO CCC[NH2+][C@@H](CCN1CCS(=O)(=O)CC1)c1ccccc1 ZINC000053933516 183916036 /nfs/dbraw/zinc/91/60/36/183916036.db2.gz PLXICAAJNZDCRB-INIZCTEOSA-N 1 0 310.463 1.848 10 0 DDAERO CC[N@@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2N)C[C@@H]1C ZINC000110702206 194352074 /nfs/dbraw/zinc/35/20/74/194352074.db2.gz ATSNLFNBMVKGGJ-NSHDSACASA-N 1 0 310.829 1.887 10 0 DDAERO NC(=S)C[NH+]1CCC(NC(=O)c2ccc(F)cc2F)CC1 ZINC000110825790 194362541 /nfs/dbraw/zinc/36/25/41/194362541.db2.gz JYQYLKSQPXJHDB-UHFFFAOYSA-N 1 0 313.373 1.445 10 0 DDAERO COc1ccc([C@H]([NH3+])[C@@H]2COCCO2)cc1Br ZINC000055298993 183977573 /nfs/dbraw/zinc/97/75/73/183977573.db2.gz IKFRUBPIAPWBGP-RYUDHWBXSA-N 1 0 302.168 1.873 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCC(=O)NC1CCCCC1 ZINC000057641618 184043487 /nfs/dbraw/zinc/04/34/87/184043487.db2.gz RGUYSWSTUWMUKV-ZDUSSCGKSA-N 1 0 312.458 1.465 10 0 DDAERO CC[NH2+][C@H](C)CC(=O)Nc1cc(S(=O)(=O)NC)ccc1C ZINC000061270053 184167327 /nfs/dbraw/zinc/16/73/27/184167327.db2.gz YFBAFUAJJHIXNU-LLVKDONJSA-N 1 0 313.423 1.230 10 0 DDAERO C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(N)=S)c1ccccc1 ZINC000061646150 184181487 /nfs/dbraw/zinc/18/14/87/184181487.db2.gz INXQMVBIXOUELZ-UONOGXRCSA-N 1 0 305.447 1.609 10 0 DDAERO [NH3+]CC(=O)NCC(=O)Nc1cc(Br)ccc1Cl ZINC000061692524 184183466 /nfs/dbraw/zinc/18/34/66/184183466.db2.gz LHSHNBSPNPOLJQ-UHFFFAOYSA-N 1 0 320.574 1.116 10 0 DDAERO C[NH2+][C@@H]1CCC2(C[C@@H]1S(=O)(=O)c1ccccc1)OCCO2 ZINC000061702796 184184464 /nfs/dbraw/zinc/18/44/64/184184464.db2.gz GWSAFHDEQJLUBY-KGLIPLIRSA-N 1 0 311.403 1.344 10 0 DDAERO COc1ccccc1S(=O)(=O)NCc1ccccc1C[NH3+] ZINC000061841343 184189226 /nfs/dbraw/zinc/18/92/26/184189226.db2.gz KICDDWHDWOYXLP-UHFFFAOYSA-N 1 0 306.387 1.632 10 0 DDAERO C[NH2+]CC1(CN2CCN(CC(F)(F)F)CC2)CCOCC1 ZINC000061947772 184197798 /nfs/dbraw/zinc/19/77/98/184197798.db2.gz IKYOITLDTSZUNV-UHFFFAOYSA-N 1 0 309.376 1.183 10 0 DDAERO CC[NH2+]C[C@]1(CN2CCN(CC(F)(F)F)CC2)CCOC1 ZINC000061947581 184197942 /nfs/dbraw/zinc/19/79/42/184197942.db2.gz DYFYLGMMYHBWSM-ZDUSSCGKSA-N 1 0 309.376 1.183 10 0 DDAERO CC(C)[C@@H](C(N)=S)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000062034498 184202211 /nfs/dbraw/zinc/20/22/11/184202211.db2.gz KEWWDRRQVRNDAK-AWEZNQCLSA-N 1 0 311.495 1.879 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)NCc2ccc(C)nc2)cc1 ZINC000062037938 184202806 /nfs/dbraw/zinc/20/28/06/184202806.db2.gz FEYFLTPAMUIUKU-UHFFFAOYSA-N 1 0 305.403 1.588 10 0 DDAERO C[C@@H](CNS(=O)(=O)c1ccc(F)c(N)c1)C[NH+]1CCCC1 ZINC000062069398 184203893 /nfs/dbraw/zinc/20/38/93/184203893.db2.gz UNYVTPMAGXMVIX-NSHDSACASA-N 1 0 315.414 1.418 10 0 DDAERO CCC[C@@H]1CC[C@@H](C[NH3+])[C@H](N2CCN(S(C)(=O)=O)CC2)C1 ZINC000062082112 184204917 /nfs/dbraw/zinc/20/49/17/184204917.db2.gz CIWZWOIRUPLZNQ-QLFBSQMISA-N 1 0 317.499 1.107 10 0 DDAERO CCCN[C@H](CC[N@H+](CCN(C)C)CC(C)C)C(=O)OC ZINC000062456440 184237573 /nfs/dbraw/zinc/23/75/73/184237573.db2.gz QQOZYLXNQBDVFK-OAHLLOKOSA-N 1 0 301.475 1.437 10 0 DDAERO CCC[N@H+](CC[C@@H](NC(C)C)C(=O)OCC)CCN(C)C ZINC000062527910 184241783 /nfs/dbraw/zinc/24/17/83/184241783.db2.gz JSGWEGUQWOTJTB-OAHLLOKOSA-N 1 0 301.475 1.580 10 0 DDAERO C[C@@H]([NH3+])c1cccc(S(=O)(=O)N(C)Cc2nccn2C)c1 ZINC000062324787 184230380 /nfs/dbraw/zinc/23/03/80/184230380.db2.gz BIAVDKNDTLOZTP-LLVKDONJSA-N 1 0 308.407 1.261 10 0 DDAERO CCNS(=O)(=O)NC[C@H](c1cccs1)[NH+](CC)CC ZINC000062359553 184233039 /nfs/dbraw/zinc/23/30/39/184233039.db2.gz YMFDOHYVEQNWJY-LLVKDONJSA-N 1 0 305.469 1.575 10 0 DDAERO CC[C@@H](Oc1ccc(C[C@H](C)[NH3+])cc1Br)C(N)=O ZINC000062704022 184248681 /nfs/dbraw/zinc/24/86/81/184248681.db2.gz BHJNKDSOLRTJRX-GZMMTYOYSA-N 1 0 315.211 1.982 10 0 DDAERO CCNC(=O)COc1ccc(C[C@@H](C)[NH3+])cc1Br ZINC000062704169 184248977 /nfs/dbraw/zinc/24/89/77/184248977.db2.gz YFGFCONBMOGKJC-SECBINFHSA-N 1 0 315.211 1.854 10 0 DDAERO COCC[NH2+]Cc1ccc(Br)cc1-n1cncn1 ZINC000062738512 184252219 /nfs/dbraw/zinc/25/22/19/184252219.db2.gz UPUYRQFAJSHQNW-UHFFFAOYSA-N 1 0 311.183 1.766 10 0 DDAERO Cc1cc(F)ccc1S(=O)(=O)NOCC[NH+]1CCCCC1 ZINC000062578225 184244495 /nfs/dbraw/zinc/24/44/95/184244495.db2.gz SZGNHLAJEUFBKE-UHFFFAOYSA-N 1 0 316.398 1.830 10 0 DDAERO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(N)ccc2F)C1 ZINC000062975674 184263795 /nfs/dbraw/zinc/26/37/95/184263795.db2.gz RJABTRHMPSWVPE-LBPRGKRZSA-N 1 0 315.414 1.513 10 0 DDAERO CN(CC[NH+]1CCCC1)c1nc(Cl)nc(N2CCCC2)n1 ZINC000063054768 184268843 /nfs/dbraw/zinc/26/88/43/184268843.db2.gz CZIXHGNMJBUTML-UHFFFAOYSA-N 1 0 310.833 1.657 10 0 DDAERO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1c(N)cccc1F ZINC000063120244 184271594 /nfs/dbraw/zinc/27/15/94/184271594.db2.gz DOKGCEIERHTPTG-UHFFFAOYSA-N 1 0 315.414 1.370 10 0 DDAERO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)ccc1N ZINC000063120299 184271648 /nfs/dbraw/zinc/27/16/48/184271648.db2.gz FRMVBGQJRKURGU-UHFFFAOYSA-N 1 0 315.414 1.370 10 0 DDAERO Cn1cc([C@H](C[NH3+])Sc2ccc(S(C)(=O)=O)cc2)cn1 ZINC000063131159 184272336 /nfs/dbraw/zinc/27/23/36/184272336.db2.gz CHMZEWPHAOUVSU-ZDUSSCGKSA-N 1 0 311.432 1.616 10 0 DDAERO CC(C)N(c1ccc(C[NH3+])cc1)S(=O)(=O)C[C@H]1CCCO1 ZINC000063154897 184274260 /nfs/dbraw/zinc/27/42/60/184274260.db2.gz SKYYTGYIQZHLTL-OAHLLOKOSA-N 1 0 312.435 1.869 10 0 DDAERO Cc1cnc2c(cccc2S(=O)(=O)N[C@H]2CCC[C@H]2[NH3+])c1 ZINC000063175595 184276653 /nfs/dbraw/zinc/27/66/53/184276653.db2.gz CJDHLVOFJHOFAR-OLZOCXBDSA-N 1 0 305.403 1.701 10 0 DDAERO [NH3+][C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000063176150 184276761 /nfs/dbraw/zinc/27/67/61/184276761.db2.gz SBNGGFGRFOAOQA-QWRGUYRKSA-N 1 0 308.325 1.864 10 0 DDAERO Nc1nc(C(=O)NC[C@H]2CCC3(CC[NH2+]CC3)CO2)cs1 ZINC000063527832 184284570 /nfs/dbraw/zinc/28/45/70/184284570.db2.gz XPAKWMLPIZEVOE-SNVBAGLBSA-N 1 0 310.423 1.004 10 0 DDAERO CCc1cc(=O)[nH]c(CN2CC[N@H+](CCOC)[C@H](CC)C2)n1 ZINC000120030001 195084211 /nfs/dbraw/zinc/08/42/11/195084211.db2.gz LBTCUAFMBHNHTF-CQSZACIVSA-N 1 0 308.426 1.287 10 0 DDAERO COC(=O)Cn1cc(CC[N@@H+]2CCC[C@H]2c2ccco2)nn1 ZINC000120189148 195115945 /nfs/dbraw/zinc/11/59/45/195115945.db2.gz XYLASNBGOQTWIA-ZDUSSCGKSA-N 1 0 304.350 1.424 10 0 DDAERO CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[C@H](C)[NH3+] ZINC000157137714 197164494 /nfs/dbraw/zinc/16/44/94/197164494.db2.gz JDVLDPDLDVNVHM-VIFPVBQESA-N 1 0 322.796 1.662 10 0 DDAERO COC[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000188151158 285292123 /nfs/dbraw/zinc/29/21/23/285292123.db2.gz VNVQNYVRJBVZGO-HYVNUMGLSA-N 1 0 320.433 1.422 10 0 DDAERO Cn1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@]3(CCNC3=O)C2)cn1 ZINC000248158928 257107761 /nfs/dbraw/zinc/10/77/61/257107761.db2.gz WPDMPPVNOOYUJV-AEFFLSMTSA-N 1 0 310.401 1.526 10 0 DDAERO CN1[C@H](C(=O)NCC2CC2)C[C@H]2C[N@@H+](Cc3ccco3)C[C@H]21 ZINC000248033796 257111151 /nfs/dbraw/zinc/11/11/51/257111151.db2.gz MAEMKQDLWDBZFY-CWRNSKLLSA-N 1 0 303.406 1.310 10 0 DDAERO COc1cccc(C(=O)N2CC[C@@H]3CO[C@@H](C[NH+](C)C)[C@@H]3C2)c1 ZINC000247990043 257112072 /nfs/dbraw/zinc/11/20/72/257112072.db2.gz LENLOOQTUSZQKR-OIISXLGYSA-N 1 0 318.417 1.734 10 0 DDAERO COc1cc(N2CC[C@@H]3OCC[N@H+](CC4CC4)[C@H]3CC2)ncn1 ZINC000247868262 257115860 /nfs/dbraw/zinc/11/58/60/257115860.db2.gz BYBFIOULTMMQFA-GJZGRUSLSA-N 1 0 318.421 1.565 10 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/nfs/dbraw/zinc/35/12/74/195351274.db2.gz MRIVOFGDDXAGFN-CQSZACIVSA-N 1 0 309.385 1.857 10 0 DDAERO Cc1cc2c(cc1C)[C@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)CO2 ZINC000184557213 292008602 /nfs/dbraw/zinc/00/86/02/292008602.db2.gz IZAAPDDJOHURMT-GOEBONIOSA-N 1 0 318.417 1.568 10 0 DDAERO CCOC(CN(CCc1ccccc1)C(=O)[C@H](C)[NH3+])OCC ZINC000261508464 285987239 /nfs/dbraw/zinc/98/72/39/285987239.db2.gz SSTLXIDUXDAKOD-AWEZNQCLSA-N 1 0 308.422 1.804 10 0 DDAERO Cc1cnccc1NC(=O)c1cccc(N2CCC[NH2+]CC2)n1 ZINC000222922019 407562389 /nfs/dbraw/zinc/56/23/89/407562389.db2.gz CZKMNHNWMZYQNI-UHFFFAOYSA-N 1 0 311.389 1.837 10 0 DDAERO Brc1cccc(-n2nncc2CN2CC[NH2+]CC2)c1 ZINC000070460985 406818771 /nfs/dbraw/zinc/81/87/71/406818771.db2.gz ADKCNBFTAVUBPO-UHFFFAOYSA-N 1 0 322.210 1.435 10 0 DDAERO O=C1CNC(=O)N1CC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000076106988 406956374 /nfs/dbraw/zinc/95/63/74/406956374.db2.gz ZJZCKEYJKSJFHT-CABCVRRESA-N 1 0 317.389 1.126 10 0 DDAERO C[C@@H]([NH2+]CCCS(N)(=O)=O)c1ccccc1Br 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DDAERO COc1cccc(Cl)c1CC(=O)NC[C@H]1CN(C)CCO1 ZINC000153070187 407748796 /nfs/dbraw/zinc/74/87/96/407748796.db2.gz ODEBNCNCHNJOQW-NSHDSACASA-N 1 0 312.797 1.338 10 0 DDAERO COC[C@@H]([NH3+])C(=O)NCc1cccc(COc2ccccc2)c1 ZINC000262190959 407763312 /nfs/dbraw/zinc/76/33/12/407763312.db2.gz CFTAAEZILFOUDV-QGZVFWFLSA-N 1 0 314.385 1.856 10 0 DDAERO CCCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]([NH3+])COC ZINC000262251537 407775864 /nfs/dbraw/zinc/77/58/64/407775864.db2.gz SQJZWMOIRSVDPB-CHWSQXEVSA-N 1 0 308.378 1.039 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2)CCO1 ZINC000116786726 407777600 /nfs/dbraw/zinc/77/76/00/407777600.db2.gz CVIJIQYGEJRCRF-LLVKDONJSA-N 1 0 317.311 1.503 10 0 DDAERO O=C(CC(F)(F)F)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262328656 407801015 /nfs/dbraw/zinc/80/10/15/407801015.db2.gz SETQIENZPDFNJW-GHMZBOCLSA-N 1 0 321.343 1.046 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1 ZINC000262363049 407811781 /nfs/dbraw/zinc/81/17/81/407811781.db2.gz VUOGXUDXDKGMHF-LBPRGKRZSA-N 1 0 317.345 1.753 10 0 DDAERO CN(C)S(=O)(=O)c1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000262509498 407853094 /nfs/dbraw/zinc/85/30/94/407853094.db2.gz MVQZGEXWURSBCV-IMJJTQAJSA-N 1 0 323.462 1.106 10 0 DDAERO [NH3+]C[C@H]1CCCN1C(=O)COc1cccc(NC(=O)C2CC2)c1 ZINC000238037407 407875589 /nfs/dbraw/zinc/87/55/89/407875589.db2.gz PJWWYMAHAAYSPX-CQSZACIVSA-N 1 0 317.389 1.364 10 0 DDAERO CC(C)c1nc2c(n1C)CC[N@H+](CCCN1CCOCC1)C2 ZINC000173705516 407894503 /nfs/dbraw/zinc/89/45/03/407894503.db2.gz SKNPCNJPDTYDCN-UHFFFAOYSA-N 1 0 306.454 1.624 10 0 DDAERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](COC)C2CC2)ncn1 ZINC000180565475 407900335 /nfs/dbraw/zinc/90/03/35/407900335.db2.gz MORSUZDDASOMPB-KGLIPLIRSA-N 1 0 305.426 1.502 10 0 DDAERO CC1CC[NH+](CCN2CCCN(Cc3cnn(C)c3)CC2)CC1 ZINC000153820354 407911192 /nfs/dbraw/zinc/91/11/92/407911192.db2.gz KADDHZYDBGPVPA-UHFFFAOYSA-N 1 0 319.497 1.660 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)NCCc2nc3c(s2)CCCC3)C1 ZINC000154004258 407951891 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1.550 10 0 DDAERO CCCCOCCNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000248456728 282084842 /nfs/dbraw/zinc/08/48/42/282084842.db2.gz NZEUVGCQQHWJAQ-LSDHHAIUSA-N 1 0 315.458 1.290 10 0 DDAERO Cn1nnnc1SC[C@@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000081843391 192330893 /nfs/dbraw/zinc/33/08/93/192330893.db2.gz QWWPVMOXHTZERQ-SNVBAGLBSA-N 1 0 307.379 1.164 10 0 DDAERO C[NH2+][C@@H]1c2ccccc2CCC[C@@H]1Sc1n[nH]c(=O)n1C ZINC000081880711 192334536 /nfs/dbraw/zinc/33/45/36/192334536.db2.gz UAYHKUMGWVOPPF-QWHCGFSZSA-N 1 0 304.419 1.866 10 0 DDAERO Cc1ccc(S(=O)(=O)[C@@H]2CC3(CC[C@H]2[NH3+])OCCO3)cc1 ZINC000081920871 192338433 /nfs/dbraw/zinc/33/84/33/192338433.db2.gz FTLCNUMISVFRTN-ZIAGYGMSSA-N 1 0 311.403 1.392 10 0 DDAERO [NH3+][C@@H]1CCC2(C[C@H]1S(=O)(=O)Cc1ccccc1)OCCO2 ZINC000081923785 192339754 /nfs/dbraw/zinc/33/97/54/192339754.db2.gz OBYRFFKOYMEZJL-ZIAGYGMSSA-N 1 0 311.403 1.224 10 0 DDAERO [NH3+][C@@H]1CCC2(C[C@@H]1S(=O)(=O)c1ccccc1F)OCCO2 ZINC000081922985 192340414 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Cc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000082314436 185175163 /nfs/dbraw/zinc/17/51/63/185175163.db2.gz VQSWLKWUPRFCHX-MRXNPFEDSA-N 1 0 301.434 1.985 10 0 DDAERO CS(=O)(=O)C[C@@H](O)[C@H](C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000087373777 185222989 /nfs/dbraw/zinc/22/29/89/185222989.db2.gz KOGBRNVEUBYWGV-GHMZBOCLSA-N 1 0 311.325 1.153 10 0 DDAERO Cc1cnc2c(cccc2S(=O)(=O)N[C@@H](C[NH3+])C(C)C)c1 ZINC000087404814 185224199 /nfs/dbraw/zinc/22/41/99/185224199.db2.gz UOTSVNYMZZYKQI-ZDUSSCGKSA-N 1 0 307.419 1.805 10 0 DDAERO C[C@@H]([NH3+])c1ccnc(-n2cc(I)cn2)c1 ZINC000087413988 185224398 /nfs/dbraw/zinc/22/43/98/185224398.db2.gz CVHHFHPDJWQLMH-SSDOTTSWSA-N 1 0 314.130 1.892 10 0 DDAERO C[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccccc1)N1CCSCC1 ZINC000132899011 539189920 /nfs/dbraw/zinc/18/99/20/539189920.db2.gz YVJZYMRMNDHYMM-GDBMZVCRSA-N 1 0 321.490 1.843 10 0 DDAERO CC[C@@H](C[NH3+])C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000087520098 185227800 /nfs/dbraw/zinc/22/78/00/185227800.db2.gz GPBHYXURPOHUCP-QMMMGPOBSA-N 1 0 319.814 1.635 10 0 DDAERO Cc1cc(CNS(=O)(=O)C[C@@H]2CCC[NH2+]C2)sc1C ZINC000087581567 185229113 /nfs/dbraw/zinc/22/91/13/185229113.db2.gz KJUAYQYJMKAYGF-GFCCVEGCSA-N 1 0 302.465 1.784 10 0 DDAERO [NH3+]CCC[S@@](=O)Cc1ccc(I)cc1 ZINC000088066619 185238642 /nfs/dbraw/zinc/23/86/42/185238642.db2.gz WQKLGCHKUOUJGP-AWEZNQCLSA-N 1 0 323.199 1.889 10 0 DDAERO NNc1nc(N2CCC[C@H]2CCCO)c(Br)c[nH+]1 ZINC000087869603 185234108 /nfs/dbraw/zinc/23/41/08/185234108.db2.gz YNCOJXAQSPDVGK-QMMMGPOBSA-N 1 0 316.203 1.266 10 0 DDAERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2c[nH]nc2C)ncn1 ZINC000180851226 539236420 /nfs/dbraw/zinc/23/64/20/539236420.db2.gz KHDYECLBVCFJRQ-WCQYABFASA-N 1 0 315.425 1.869 10 0 DDAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)CCC[NH+](C)C ZINC000181990106 539238693 /nfs/dbraw/zinc/23/86/93/539238693.db2.gz HVIRZNCOTZNJBT-ZDUSSCGKSA-N 1 0 306.410 1.607 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1Cl)C(C)C ZINC000183672857 539243073 /nfs/dbraw/zinc/24/30/73/539243073.db2.gz JPMMZUBSYCAEMO-CYBMUJFWSA-N 1 0 315.776 1.778 10 0 DDAERO CC(C)C[C@H](C[NH3+])CC(=O)NCCCOC[C@H]1CCCO1 ZINC000088277975 185244627 /nfs/dbraw/zinc/24/46/27/185244627.db2.gz NNFVZUVMHXXRDU-LSDHHAIUSA-N 1 0 300.443 1.699 10 0 DDAERO CCC[C@H]1CC[C@@H]([NH2+]C)[C@H](S(=O)(=O)CC(=O)OCC)C1 ZINC000081977546 192348624 /nfs/dbraw/zinc/34/86/24/192348624.db2.gz YQHUNQHHXLPIOC-YNEHKIRRSA-N 1 0 305.440 1.521 10 0 DDAERO CNS(=O)(=O)c1ccc(CNC[C@@H](C)C[NH+]2CCCC2)o1 ZINC000088540721 185255933 /nfs/dbraw/zinc/25/59/33/185255933.db2.gz DDYLGDMJMNDXRW-GFCCVEGCSA-N 1 0 315.439 1.009 10 0 DDAERO CCCCOCCNS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088542814 185256354 /nfs/dbraw/zinc/25/63/54/185256354.db2.gz URMSMLXSKAJXST-UHFFFAOYSA-N 1 0 318.439 1.873 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2OC)o1 ZINC000088542555 185256366 /nfs/dbraw/zinc/25/63/66/185256366.db2.gz XALVGSZTSMWFCI-NWDGAFQWSA-N 1 0 302.396 1.235 10 0 DDAERO CC[C@@H](C(N)=S)[NH+]1CCN(Cc2ncnn2C(C)C)CC1 ZINC000088593437 185258709 /nfs/dbraw/zinc/25/87/09/185258709.db2.gz OHCKGZIVZORWBK-LBPRGKRZSA-N 1 0 310.471 1.041 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)CC2CCCCC2)C1 ZINC000252663407 282210293 /nfs/dbraw/zinc/21/02/93/282210293.db2.gz FSWDWANCHIGYGU-GDBMZVCRSA-N 1 0 323.481 1.918 10 0 DDAERO [NH3+][C@@H]1CCC2(C[C@@H]1S(=O)(=O)CC1CCCC1)OCCO2 ZINC000081991470 192352304 /nfs/dbraw/zinc/35/23/04/192352304.db2.gz NSUNWMLJQWQUCQ-OLZOCXBDSA-N 1 0 303.424 1.214 10 0 DDAERO OC[C@@H](O)C[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000090281973 185289303 /nfs/dbraw/zinc/28/93/03/185289303.db2.gz NODBDEHYEPFLGA-GDKBPFBDSA-N 1 0 300.196 1.638 10 0 DDAERO O=C(c1cc(Cl)ccc1Cl)N1CCN(C2C[NH2+]C2)CC1 ZINC000090306887 185290122 /nfs/dbraw/zinc/29/01/22/185290122.db2.gz MPKDKIZOJKWVGX-UHFFFAOYSA-N 1 0 314.216 1.723 10 0 DDAERO c1csc(-c2nc(CN3CC(N4CC[NH2+]CC4)C3)co2)c1 ZINC000090309440 185290580 /nfs/dbraw/zinc/29/05/80/185290580.db2.gz CWFQJFFMGXQAPU-UHFFFAOYSA-N 1 0 304.419 1.493 10 0 DDAERO O=S(=O)(c1c(Cl)cccc1Cl)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090322038 185290920 /nfs/dbraw/zinc/29/09/20/185290920.db2.gz LKLYFBTYNLNCNZ-RKDXNWHRSA-N 1 0 321.229 1.833 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1Cc1cc(=O)n2ccsc2n1 ZINC000090337694 185292018 /nfs/dbraw/zinc/29/20/18/185292018.db2.gz LKZYXIUDIMXYHR-CMPLNLGQSA-N 1 0 304.419 1.186 10 0 DDAERO COc1cc(NC(=O)[C@H]2COC[C@@H]2[NH3+])c(OC)cc1Cl ZINC000090378545 185293397 /nfs/dbraw/zinc/29/33/97/185293397.db2.gz DJYWJHRLSSMMEQ-CBAPKCEASA-N 1 0 300.742 1.269 10 0 DDAERO COc1cc(Cl)c(NC(=O)[C@@]2(C)COC[C@@H]2[NH3+])cc1OC ZINC000090587276 185305224 /nfs/dbraw/zinc/30/52/24/185305224.db2.gz OWIBAMXWSPVMER-JSGCOSHPSA-N 1 0 314.769 1.660 10 0 DDAERO CN(Cc1c(F)cccc1Cl)C(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000090590444 185305664 /nfs/dbraw/zinc/30/56/64/185305664.db2.gz FENJPKBWALPPIP-OCCSQVGLSA-N 1 0 300.761 1.801 10 0 DDAERO C[C@@]1(CN2CCN(c3ccc(Cl)cc3)CC2)COC[C@H]1[NH3+] ZINC000090606522 185306477 /nfs/dbraw/zinc/30/64/77/185306477.db2.gz FOGXLMMTAAIKPD-HZPDHXFCSA-N 1 0 309.841 1.826 10 0 DDAERO C[C@]1(C(=O)Nc2ccc(Br)cc2F)COC[C@@H]1[NH3+] ZINC000090580513 185304800 /nfs/dbraw/zinc/30/48/00/185304800.db2.gz DDTVMRZNKOGOCL-JQWIXIFHSA-N 1 0 317.158 1.891 10 0 DDAERO Cc1noc(C)c1CNS(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092344292 185313464 /nfs/dbraw/zinc/31/34/64/185313464.db2.gz DZSHFAYXWKYPNI-UHFFFAOYSA-N 1 0 313.354 1.368 10 0 DDAERO CCS(=O)(=O)CCn1nc(C)c(CCC[NH2+]C2CC2)c1C ZINC000092323603 185312257 /nfs/dbraw/zinc/31/22/57/185312257.db2.gz GTBIFKMTKAKZSZ-UHFFFAOYSA-N 1 0 313.467 1.619 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(C)cc(N)c1 ZINC000092622745 185330069 /nfs/dbraw/zinc/33/00/69/185330069.db2.gz YSBOSBHZXGXXMA-CQSZACIVSA-N 1 0 311.451 1.682 10 0 DDAERO CC[NH2+][C@H](C)[C@@H]1CCCN(S(=O)(=O)c2cn(CC)cn2)C1 ZINC000092889727 185348113 /nfs/dbraw/zinc/34/81/13/185348113.db2.gz MZARBZCJRAMJKM-CHWSQXEVSA-N 1 0 314.455 1.302 10 0 DDAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000092951848 185350310 /nfs/dbraw/zinc/35/03/10/185350310.db2.gz JYENTUFMYDSISX-GXSJLCMTSA-N 1 0 305.769 1.857 10 0 DDAERO CC[C@H](c1nc(C(F)(F)F)c(C)c(=O)[nH]1)N1CC[NH2+]CC1 ZINC000111308145 185578639 /nfs/dbraw/zinc/57/86/39/185578639.db2.gz KPHGCFOMNQFNHC-SECBINFHSA-N 1 0 304.316 1.453 10 0 DDAERO CC[NH2+][C@H](C)[C@@H]1CCCCN1S(=O)(=O)N1CCCCC1 ZINC000111715345 185629645 /nfs/dbraw/zinc/62/96/45/185629645.db2.gz ZXWDHPUHUMMOLY-KGLIPLIRSA-N 1 0 303.472 1.570 10 0 DDAERO CS(=O)(=O)CCS[C@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000616568402 539559849 /nfs/dbraw/zinc/55/98/49/539559849.db2.gz ACJSSVWSDWXISL-RXMQYKEDSA-N 1 0 301.302 1.289 10 0 DDAERO C[NH2+]CC[C@H]1CCCCN1S(=O)(=O)CCc1ccncc1 ZINC000070192274 190869391 /nfs/dbraw/zinc/86/93/91/190869391.db2.gz UOTCEPZDTDIBAK-OAHLLOKOSA-N 1 0 311.451 1.418 10 0 DDAERO Cc1cc([C@H]([NH3+])COCC(N)=O)c(C)cc1Br ZINC000070471212 190900608 /nfs/dbraw/zinc/90/06/08/190900608.db2.gz PEPCHMJIBPEVQO-LLVKDONJSA-N 1 0 301.184 1.568 10 0 DDAERO C[C@H]([NH2+]CCCc1nnc[nH]1)c1ccc(S(C)(=O)=O)cc1 ZINC000080555185 192167350 /nfs/dbraw/zinc/16/73/50/192167350.db2.gz MYAVOKLNHUWTIM-NSHDSACASA-N 1 0 308.407 1.492 10 0 DDAERO Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000083712033 192378942 /nfs/dbraw/zinc/37/89/42/192378942.db2.gz UOJSHVSOGYQVLQ-GXTWGEPZSA-N 1 0 320.441 1.453 10 0 DDAERO CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1F ZINC000170843731 306683017 /nfs/dbraw/zinc/68/30/17/306683017.db2.gz BCWUHHFTKODPIT-GFCCVEGCSA-N 1 0 323.368 1.325 10 0 DDAERO CC[C@H](C)[C@H]1C[NH2+]C2(CCCC2)CN1CCS(C)(=O)=O ZINC000071358661 190962084 /nfs/dbraw/zinc/96/20/84/190962084.db2.gz LHCZUECPGDEPTQ-UONOGXRCSA-N 1 0 302.484 1.664 10 0 DDAERO CC[NH2+][C@@H](C[S@](=O)CCOC)c1ccc(OC)c(OC)c1 ZINC000084036244 192396742 /nfs/dbraw/zinc/39/67/42/192396742.db2.gz DJSDAHGFKGNHRJ-ZSEKCTLFSA-N 1 0 315.435 1.750 10 0 DDAERO CS(=O)(=O)c1ccc([S@@](=O)C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000084055937 192397328 /nfs/dbraw/zinc/39/73/28/192397328.db2.gz FEVJEQKBBMAGHW-FOIQADDNSA-N 1 0 323.439 1.898 10 0 DDAERO COc1ccc(OC)c([C@H]([NH3+])C[S@](=O)C2CCOCC2)c1 ZINC000084054316 192397602 /nfs/dbraw/zinc/39/76/02/192397602.db2.gz IFBKDLAXUIONOW-SPLOXXLWSA-N 1 0 313.419 1.631 10 0 DDAERO COc1ccc([C@@H]([NH3+])C[S@](=O)C2CCOCC2)cc1OC ZINC000084054555 192398191 /nfs/dbraw/zinc/39/81/91/192398191.db2.gz XJOYPCVUDZZYMZ-YEJXKQKISA-N 1 0 313.419 1.631 10 0 DDAERO CCN(CC)C(=O)Cn1c2ccc(OC)cc2nc1[C@@H](C)[NH3+] ZINC000071667923 191002359 /nfs/dbraw/zinc/00/23/59/191002359.db2.gz KBWARJIVDAEJKT-LLVKDONJSA-N 1 0 304.394 1.933 10 0 DDAERO COc1cccc2c1CN(CCCN1CCOCC1)[C@H]2C[NH3+] ZINC000071683153 191007451 /nfs/dbraw/zinc/00/74/51/191007451.db2.gz KZTGQZOXNOQRBC-INIZCTEOSA-N 1 0 305.422 1.233 10 0 DDAERO COc1cc2c(c(OC)c1OC)[C@H](C[NH3+])N(C[C@@H]1CCCO1)C2 ZINC000071684622 191008310 /nfs/dbraw/zinc/00/83/10/191008310.db2.gz KMPIMIYRMGHKJI-STQMWFEESA-N 1 0 322.405 1.707 10 0 DDAERO [NH3+]C[C@H]1c2c(cc(Cl)cc2Cl)CN1CCOCCO ZINC000071684397 191008673 /nfs/dbraw/zinc/00/86/73/191008673.db2.gz FEVBZYGHSYNKGM-LBPRGKRZSA-N 1 0 305.205 1.818 10 0 DDAERO CCN(C)C(=O)c1cccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171471422 186165301 /nfs/dbraw/zinc/16/53/01/186165301.db2.gz NEVIWBBBIFVQNK-MRXNPFEDSA-N 1 0 315.417 1.699 10 0 DDAERO C[C@@H]1C[C@H](NC(=O)C[C@H](NC(N)=O)c2cccs2)CC[NH2+]1 ZINC000262844239 186312071 /nfs/dbraw/zinc/31/20/71/186312071.db2.gz JGXSGDJFVQJFPT-MXWKQRLJSA-N 1 0 310.423 1.104 10 0 DDAERO CC(C)Oc1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000171901207 198003682 /nfs/dbraw/zinc/00/36/82/198003682.db2.gz RYPSVWBIJFHKLK-OAHLLOKOSA-N 1 0 318.421 1.858 10 0 DDAERO COc1ccc(C[NH2+][C@H]2CCOC[C@@H]2O)cc1Br ZINC000623764734 366043597 /nfs/dbraw/zinc/04/35/97/366043597.db2.gz JIFMJBXTCWCOCL-RYUDHWBXSA-N 1 0 316.195 1.697 10 0 DDAERO Oc1ccc(Br)c(C[NH2+][C@@H]2CCOC[C@@H]2O)c1 ZINC000623766254 366045630 /nfs/dbraw/zinc/04/56/30/366045630.db2.gz CQYHNYQRCDIRBG-NEPJUHHUSA-N 1 0 302.168 1.394 10 0 DDAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC(=O)N1CCc2ccccc21 ZINC000028903222 352232120 /nfs/dbraw/zinc/23/21/20/352232120.db2.gz ZFWIAQHCNCFMRW-MRXNPFEDSA-N 1 0 315.417 1.518 10 0 DDAERO COc1ccc([C@H](C)[NH2+][C@H]2CCc3ncnn3C2)cc1OC ZINC000173397082 198209800 /nfs/dbraw/zinc/20/98/00/198209800.db2.gz FFVKSCFPSAUVNR-AAEUAGOBSA-N 1 0 302.378 1.961 10 0 DDAERO Nc1cc(C(=O)N2CCC[N@H+](Cc3cccs3)CC2)[nH]n1 ZINC000080654228 192178789 /nfs/dbraw/zinc/17/87/89/192178789.db2.gz SDULIVZLYNBECA-UHFFFAOYSA-N 1 0 305.407 1.402 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(CC(=O)Nc2ccccc2C)CC1 ZINC000174093889 198290282 /nfs/dbraw/zinc/29/02/82/198290282.db2.gz WOCOSWVCWCIZGY-OAHLLOKOSA-N 1 0 305.422 1.322 10 0 DDAERO C[C@@H](O)CN1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000174324599 198320532 /nfs/dbraw/zinc/32/05/32/198320532.db2.gz HCBXGDPCZDAYIY-LSDHHAIUSA-N 1 0 319.449 1.275 10 0 DDAERO CCCNC(=O)c1ccc(NC[C@@H](O)C[NH+]2CCCCC2)nc1 ZINC000174683528 198370398 /nfs/dbraw/zinc/37/03/98/198370398.db2.gz KGXMBGKUJHSESQ-OAHLLOKOSA-N 1 0 320.437 1.480 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(OC)ncn1 ZINC000182159211 199395409 /nfs/dbraw/zinc/39/54/09/199395409.db2.gz RGKDMDHFKJKTAL-VXGBXAGGSA-N 1 0 305.382 1.576 10 0 DDAERO C[C@]1(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000121173676 354016994 /nfs/dbraw/zinc/01/69/94/354016994.db2.gz PGFPFEWZVQBAER-FUHWJXTLSA-N 1 0 317.433 1.146 10 0 DDAERO [NH3+]CC[C@H](O)c1ncc(Br)cc1Br ZINC000130183606 354089687 /nfs/dbraw/zinc/08/96/87/354089687.db2.gz AJPAPDQDIYEAGE-ZETCQYMHSA-N 1 0 309.989 1.989 10 0 DDAERO C[C@H]([NH3+])C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O ZINC000214485830 354311802 /nfs/dbraw/zinc/31/18/02/354311802.db2.gz OSDQYEDPZCYWRA-ZBEGNZNMSA-N 1 0 309.369 1.835 10 0 DDAERO C[N@H+](CC1CC1)C[C@H]1CN(C(=O)CCc2ccccn2)CCO1 ZINC000328649271 354559463 /nfs/dbraw/zinc/55/94/63/354559463.db2.gz UVQCBCGPMRRPMF-KRWDZBQOSA-N 1 0 317.433 1.583 10 0 DDAERO OCCN1CCC([NH2+]Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000398955975 354656766 /nfs/dbraw/zinc/65/67/66/354656766.db2.gz IDDJEOXARFNEBU-UHFFFAOYSA-N 1 0 314.433 1.478 10 0 DDAERO CCC[n+]1ccc(-c2cc[n+](CCC)c(S(=O)(=O)[O-])c2)cc1 ZINC000585138944 354812846 /nfs/dbraw/zinc/81/28/46/354812846.db2.gz HVGDJAZPHRTJFV-UHFFFAOYSA-O 1 0 322.430 1.995 10 0 DDAERO NC(=[NH2+])C1(NS(=O)(=O)c2cccnc2)CCCCCCC1 ZINC000079786505 191973286 /nfs/dbraw/zinc/97/32/86/191973286.db2.gz NSMFTXFKGGVSBR-UHFFFAOYSA-N 1 0 310.423 1.779 10 0 DDAERO C[C@@H](NS(=O)(=O)CC[C@H]1CCCC[NH2+]1)c1nccs1 ZINC000080315312 192023639 /nfs/dbraw/zinc/02/36/39/192023639.db2.gz ZDIHISCVIFNZSA-GHMZBOCLSA-N 1 0 303.453 1.656 10 0 DDAERO Cc1ccc(C[C@H](C)NS(=O)(=O)C[C@H]2CCC[NH2+]C2)s1 ZINC000080248139 192016963 /nfs/dbraw/zinc/01/69/63/192016963.db2.gz SXNYZSIDWRLMAP-AAEUAGOBSA-N 1 0 316.492 1.907 10 0 DDAERO [NH3+]C1(CNc2ncc(I)cn2)CCCC1 ZINC000594694371 356286691 /nfs/dbraw/zinc/28/66/91/356286691.db2.gz KGFNDXIWPUIMCM-UHFFFAOYSA-N 1 0 318.162 1.765 10 0 DDAERO C[C@@H]1CCC[C@]([NH3+])(C(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 ZINC000080907976 192199144 /nfs/dbraw/zinc/19/91/44/192199144.db2.gz BFFMPWHPIYIEGC-IAQYHMDHSA-N 1 0 310.419 1.936 10 0 DDAERO CC[C@@H](C)[NH2+]C[C@H](C)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081543567 192288225 /nfs/dbraw/zinc/28/82/25/192288225.db2.gz CGBLKYDAMXFFLK-ZJUUUORDSA-N 1 0 305.348 1.889 10 0 DDAERO C[C@@H](NC(=O)[C@]1([NH3+])CCOC1)c1cccc(Br)c1 ZINC000085870147 192536419 /nfs/dbraw/zinc/53/64/19/192536419.db2.gz IOVZVVPVWAJXRH-RNCFNFMXSA-N 1 0 313.195 1.744 10 0 DDAERO CC(C)[C@@H]1C[NH2+]C2(CCCC2)CN1C1CCS(=O)(=O)CC1 ZINC000086218962 192555405 /nfs/dbraw/zinc/55/54/05/192555405.db2.gz NJKFQESOBGYEOR-HNNXBMFYSA-N 1 0 314.495 1.806 10 0 DDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C2=NNC(=O)CC2)cc1 ZINC000237011757 202121343 /nfs/dbraw/zinc/12/13/43/202121343.db2.gz YJEDCYXTOFOOHD-MEBBXXQBSA-N 1 0 302.378 1.613 10 0 DDAERO CC[C@@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC[NH3+] ZINC000237021077 202125074 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CC[NH2+]C[C@H](C)C(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000061233378 184166612 /nfs/dbraw/zinc/16/66/12/184166612.db2.gz FJBUMRKSSKCFKR-QMMMGPOBSA-N 1 0 319.814 1.172 10 0 DDAERO CC[NH2+]C(C)(C)C(=O)N1CCN(Cc2csc(C)n2)CC1 ZINC000061295934 184167501 /nfs/dbraw/zinc/16/75/01/184167501.db2.gz NNPSEKWRSSRUGN-UHFFFAOYSA-N 1 0 310.467 1.484 10 0 DDAERO Clc1nc(N[C@H]2C[NH+]3CCC2CC3)nc(N2CCCC2)n1 ZINC000061536719 184172536 /nfs/dbraw/zinc/17/25/36/184172536.db2.gz JEYHHPJRGQDOHS-NSHDSACASA-N 1 0 308.817 1.631 10 0 DDAERO O=S(=O)(NCc1ccc(C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000061627362 184179220 /nfs/dbraw/zinc/17/92/20/184179220.db2.gz ISSXBRWLZLRTJD-UHFFFAOYSA-N 1 0 322.352 1.877 10 0 DDAERO C[NH2+]Cc1nnnn1-c1cc(Br)ccc1Cl ZINC000061692618 184183434 /nfs/dbraw/zinc/18/34/34/184183434.db2.gz PHHZQANJKHFRRO-UHFFFAOYSA-N 1 0 302.563 1.798 10 0 DDAERO O=C(Nc1cc(Br)ccc1Cl)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000061692507 184183567 /nfs/dbraw/zinc/18/35/67/184183567.db2.gz FBGVXOMINRUGAY-GMSGAONNSA-N 1 0 319.586 1.764 10 0 DDAERO CNS(=O)(=O)c1ccc(N(C)c2cccc(C[NH3+])c2)cc1 ZINC000061951150 184198364 /nfs/dbraw/zinc/19/83/64/184198364.db2.gz RXSHEEOKETTWNA-UHFFFAOYSA-N 1 0 305.403 1.821 10 0 DDAERO C[N@H+](CCNC(=O)[C@@H](Cc1ccccc1)C(N)=S)C1CC1 ZINC000062010405 184200956 /nfs/dbraw/zinc/20/09/56/184200956.db2.gz OXFHOEKIYKZKPO-AWEZNQCLSA-N 1 0 305.447 1.342 10 0 DDAERO C[C@@H](c1ccccc1F)N(C)S(=O)(=O)N1CCC[NH2+]CC1 ZINC000062015089 184201920 /nfs/dbraw/zinc/20/19/20/184201920.db2.gz QSZKURIFZUDTJL-LBPRGKRZSA-N 1 0 315.414 1.359 10 0 DDAERO Cc1ccc(F)cc1S(=O)(=O)NC[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000062037519 184202800 /nfs/dbraw/zinc/20/28/00/184202800.db2.gz KRWXBTDVUSNNRE-VXGBXAGGSA-N 1 0 300.399 1.801 10 0 DDAERO C[C@H](CNS(=O)(=O)c1cnc(Cl)nc1)C[NH+]1CCCC1 ZINC000062075732 184204267 /nfs/dbraw/zinc/20/42/67/184204267.db2.gz GNOHCNUHLVTGPB-SNVBAGLBSA-N 1 0 318.830 1.140 10 0 DDAERO C[C@H](CNC(=O)c1cc(Cl)nc(NN)c1)C[NH+]1CCCC1 ZINC000062070924 184204404 /nfs/dbraw/zinc/20/44/04/184204404.db2.gz 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NC(=[NH2+])c1ccc(Cl)cc1N1CC[C@H](N2CCOCC2)C1 ZINC000062980618 184264010 /nfs/dbraw/zinc/26/40/10/184264010.db2.gz FBKRUQVARUUIHL-LBPRGKRZSA-N 1 0 308.813 1.535 10 0 DDAERO CCC1CCC(C[NH3+])(N(C)S(=O)(=O)C[C@H]2CCCO2)CC1 ZINC000063154985 184274378 /nfs/dbraw/zinc/27/43/78/184274378.db2.gz FXHNIBSTBLQKID-SHARSMKWSA-N 1 0 318.483 1.725 10 0 DDAERO NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000261878798 207366700 /nfs/dbraw/zinc/36/67/00/207366700.db2.gz FBQPOQFNIGANEH-XHSDSOJGSA-N 1 0 303.406 1.032 10 0 DDAERO CSC[C@H](C)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000069436353 184514537 /nfs/dbraw/zinc/51/45/37/184514537.db2.gz WWMNTIMZEOARBA-MNOVXSKESA-N 1 0 302.465 1.984 10 0 DDAERO CCN[C@](C)(CCC[NH+]1CCC(COC)CC1)C(=O)OC ZINC000069507520 184520728 /nfs/dbraw/zinc/52/07/28/184520728.db2.gz LTGPCCRLSIWUAY-MRXNPFEDSA-N 1 0 300.443 1.666 10 0 DDAERO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)CCn1cccn1 ZINC000158981911 197315645 /nfs/dbraw/zinc/31/56/45/197315645.db2.gz OPDUXWMYRMDJDQ-STQMWFEESA-N 1 0 304.398 1.524 10 0 DDAERO CC(C)CN(CC[NH+](C)C)C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000120766703 195233787 /nfs/dbraw/zinc/23/37/87/195233787.db2.gz NPCYATWOMJJAGU-CYBMUJFWSA-N 1 0 309.410 1.444 10 0 DDAERO COc1ccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c(C)n1 ZINC000120874273 195255014 /nfs/dbraw/zinc/25/50/14/195255014.db2.gz JPWSCMYSQXAMQA-LBPRGKRZSA-N 1 0 308.382 1.193 10 0 DDAERO CC[N@@H+]1C[C@H](C(=O)NCCc2ccncc2)C[C@@H]2OCC[C@@H]21 ZINC000249695005 257107338 /nfs/dbraw/zinc/10/73/38/257107338.db2.gz QDPJYXXNANOUHX-PMPSAXMXSA-N 1 0 303.406 1.240 10 0 DDAERO CCOc1ccsc1C(=O)N1C[C@H]2COC[C@@]2(C[NH+](C)C)C1 ZINC000248107815 257109679 /nfs/dbraw/zinc/10/96/79/257109679.db2.gz JIPORTAFDHLKBB-BLLLJJGKSA-N 1 0 324.446 1.797 10 0 DDAERO O=C([C@@H]1C[C@H]2CC[N@H+](CC3CCOCC3)C[C@H]2O1)N1CCCC1 ZINC000247802233 257116760 /nfs/dbraw/zinc/11/67/60/257116760.db2.gz WKJSHPCBPJBKEA-IXDOHACOSA-N 1 0 322.449 1.515 10 0 DDAERO Fc1ccc(CN2C[C@H]3OCCN(c4ncccn4)[C@H]3C2)cc1 ZINC000503715892 257210001 /nfs/dbraw/zinc/21/00/01/257210001.db2.gz BQRQMQNMRGIYJV-JKSUJKDBSA-N 1 0 314.364 1.705 10 0 DDAERO COc1cccc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000121813181 195352520 /nfs/dbraw/zinc/35/25/20/195352520.db2.gz RFHBFGWMAGISTQ-AWEZNQCLSA-N 1 0 321.421 1.726 10 0 DDAERO CCOCCNC(=O)C[N@H+](C)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000246364259 286093733 /nfs/dbraw/zinc/09/37/33/286093733.db2.gz HHVDPGKEWAKYDS-LSDHHAIUSA-N 1 0 312.454 1.809 10 0 DDAERO [NH3+][C@H]1CCN(c2ccc(-c3nc(-c4ccccn4)no3)cn2)C1 ZINC000070457834 406816837 /nfs/dbraw/zinc/81/68/37/406816837.db2.gz OGWBGFRCMYCUDX-LBPRGKRZSA-N 1 0 308.345 1.731 10 0 DDAERO C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)C(=O)N(C)C ZINC000045185479 407041530 /nfs/dbraw/zinc/04/15/30/407041530.db2.gz BRXHUMOEKWAQLE-JSGCOSHPSA-N 1 0 306.410 1.065 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCNC(=O)c1ccco1 ZINC000048516014 407098999 /nfs/dbraw/zinc/09/89/99/407098999.db2.gz KLGVBKVPBYTJKU-LBPRGKRZSA-N 1 0 310.398 1.039 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccnc2-n2cncn2)C1 ZINC000066670839 407256927 /nfs/dbraw/zinc/25/69/27/407256927.db2.gz HGAMZICUYPORJO-GFCCVEGCSA-N 1 0 315.381 1.268 10 0 DDAERO O=S1(=O)N=C(OCCC[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000095073739 407205641 /nfs/dbraw/zinc/20/56/41/407205641.db2.gz WNXLISWGQHZOLF-LBPRGKRZSA-N 1 0 308.403 1.932 10 0 DDAERO CN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1nc2ccccc2s1 ZINC000095070622 407205741 /nfs/dbraw/zinc/20/57/41/407205741.db2.gz FGNLNIPVWQLTMJ-SNVBAGLBSA-N 1 0 311.432 1.669 10 0 DDAERO COCC[NH+]1CCN(c2ncnc3nc(C)cc(C)c32)CC1 ZINC000095382365 407211758 /nfs/dbraw/zinc/21/17/58/407211758.db2.gz MLKRHJSFLAJVAS-UHFFFAOYSA-N 1 0 301.394 1.410 10 0 DDAERO Cn1cc(CCCNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cn1 ZINC000106915660 407366739 /nfs/dbraw/zinc/36/67/39/407366739.db2.gz UQPBIBZCUFMMJS-KRWDZBQOSA-N 1 0 314.433 1.642 10 0 DDAERO C[C@H](CNC(=O)N1CC[C@H](c2ccccc2)C1)N1CCOCC1 ZINC000124716646 407366862 /nfs/dbraw/zinc/36/68/62/407366862.db2.gz MQSCPOOGONHEJC-WBVHZDCISA-N 1 0 317.433 1.906 10 0 DDAERO CCn1cnnc1C1CCN(CC(=O)NC2CCCC2)CC1 ZINC000105929216 407357065 /nfs/dbraw/zinc/35/70/65/407357065.db2.gz SSKFIFDFDHTIHM-UHFFFAOYSA-N 1 0 305.426 1.536 10 0 DDAERO O=C1CCCN1C[C@@H](O)C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000111684088 407414214 /nfs/dbraw/zinc/41/42/14/407414214.db2.gz HCWHEJAVVUDCFD-IRXDYDNUSA-N 1 0 320.408 1.816 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(CNC(N)=O)cc1 ZINC000113226533 407478231 /nfs/dbraw/zinc/47/82/31/407478231.db2.gz JAUHPSRIAQVUKB-SWLSCSKDSA-N 1 0 316.405 1.164 10 0 DDAERO COc1cccc(NC(=O)CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000113271159 407484455 /nfs/dbraw/zinc/48/44/55/407484455.db2.gz HUUDVRRPCFRCRQ-DZGCQCFKSA-N 1 0 303.406 1.802 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)Cc1ccccc1F ZINC000113305829 407495014 /nfs/dbraw/zinc/49/50/14/407495014.db2.gz MKVKLMPVJYUDBE-GXTWGEPZSA-N 1 0 312.410 1.824 10 0 DDAERO COCCOc1cccc(CN2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000128149669 407499536 /nfs/dbraw/zinc/49/95/36/407499536.db2.gz TVMLBWRPXAEQCV-QGZVFWFLSA-N 1 0 308.422 1.474 10 0 DDAERO CC[C@@H]1CN(C(=O)c2cnn3c2CCCC3)CC[N@@H+]1C[C@@H](C)O ZINC000128215106 407510133 /nfs/dbraw/zinc/51/01/33/407510133.db2.gz WARJOXPYGPACAQ-ZIAGYGMSSA-N 1 0 320.437 1.137 10 0 DDAERO O=C([C@@H]1Cc2ccccc2C(=O)O1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195327185 407451359 /nfs/dbraw/zinc/45/13/59/407451359.db2.gz ZKOSHWVAIAYGRR-HIFRSBDPSA-N 1 0 300.358 1.075 10 0 DDAERO CCOc1cc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)ccc1OC ZINC000114602234 407591208 /nfs/dbraw/zinc/59/12/08/407591208.db2.gz UDMXVDXCHYBNKU-AWEZNQCLSA-N 1 0 321.421 1.939 10 0 DDAERO CC[C@@H]1CN(C(=O)COc2ccccc2O)CC[N@@H+]1C[C@@H](C)O ZINC000152176678 407577031 /nfs/dbraw/zinc/57/70/31/407577031.db2.gz XQSAISSBACRZAA-ZIAGYGMSSA-N 1 0 322.405 1.075 10 0 DDAERO COc1cc(NC(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)cc(OC)c1 ZINC000178620758 407512607 /nfs/dbraw/zinc/51/26/07/407512607.db2.gz WMTUWMWHROXRQS-CQSZACIVSA-N 1 0 319.405 1.422 10 0 DDAERO 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C[C@](O)(C[NH+]1CCC(N2CCCNC2=O)CC1)c1ccccc1 ZINC000135402767 408012848 /nfs/dbraw/zinc/01/28/48/408012848.db2.gz RWWUOLGSUMTWFO-SFHVURJKSA-N 1 0 317.433 1.774 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCN(C)C(=O)OC ZINC000174983171 408021194 /nfs/dbraw/zinc/02/11/94/408021194.db2.gz RNIJGPRSHJKPCK-UONOGXRCSA-N 1 0 311.426 1.550 10 0 DDAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1ccccc1OCC(F)(F)F ZINC000263223670 408063732 /nfs/dbraw/zinc/06/37/32/408063732.db2.gz MLSHIVQLUVGJEK-NWDGAFQWSA-N 1 0 304.312 1.298 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000263226481 408064554 /nfs/dbraw/zinc/06/45/54/408064554.db2.gz GOXCMQRXIABAMF-CMPLNLGQSA-N 1 0 312.439 1.287 10 0 DDAERO CC(C)c1ncc(Cl)c(-c2nc([C@@H]3C[NH2+]CCN3C)no2)n1 ZINC000263222511 408065368 /nfs/dbraw/zinc/06/53/68/408065368.db2.gz MCLIOOROMRVSIY-JTQLQIEISA-N 1 0 322.800 1.880 10 0 DDAERO C[C@H](C(=O)N[C@@H](C)C(=O)N1CCCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245774473 408065567 /nfs/dbraw/zinc/06/55/67/408065567.db2.gz 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O=C(N1CCN2CCCC[C@H]2C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000223763115 490700123 /nfs/dbraw/zinc/70/01/23/490700123.db2.gz HGELXBSKOXPFHW-WCQYABFASA-N 1 0 305.344 1.225 10 0 DDAERO CSCC[C@@H]([NH3+])C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000157618086 525543618 /nfs/dbraw/zinc/54/36/18/525543618.db2.gz JHNHYLJXTDUMJI-KGLIPLIRSA-N 1 0 310.419 1.373 10 0 DDAERO CC(=O)Oc1ccc(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000123088243 696728323 /nfs/dbraw/zinc/72/83/23/696728323.db2.gz LHEQEOVQLVLHPP-ZIAGYGMSSA-N 1 0 306.406 1.499 10 0 DDAERO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)Cc1ccc(Cl)nc1 ZINC000124502156 696743649 /nfs/dbraw/zinc/74/36/49/696743649.db2.gz SWEXRDWHTUWFQP-QWRGUYRKSA-N 1 0 303.815 1.282 10 0 DDAERO CC(C)COC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000125314078 696751950 /nfs/dbraw/zinc/75/19/50/696751950.db2.gz KUKWSQOYSVVBGV-GOEBONIOSA-N 1 0 320.433 1.863 10 0 DDAERO [NH3+]CC[C@H]1CCN(c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000125484867 696753325 /nfs/dbraw/zinc/75/33/25/696753325.db2.gz LIKDLVCJFMILHR-JTQLQIEISA-N 1 0 304.362 1.858 10 0 DDAERO CCCn1cc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)cn1 ZINC000174110903 697384643 /nfs/dbraw/zinc/38/46/43/697384643.db2.gz CWXCKIFZJMGXGB-AWEZNQCLSA-N 1 0 309.414 1.261 10 0 DDAERO CC[C@@H]1CN(Cn2cc([N+](=O)[O-])c(C)n2)CC[N@@H+]1CCOC ZINC000183337210 697487054 /nfs/dbraw/zinc/48/70/54/697487054.db2.gz CUZXHFBNLDPYEY-CYBMUJFWSA-N 1 0 311.386 1.100 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1ccnn1C ZINC000184991339 697511785 /nfs/dbraw/zinc/51/17/85/697511785.db2.gz KXKZBTFYAMBXLU-UKRRQHHQSA-N 1 0 305.426 1.231 10 0 DDAERO CO[C@@H](C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190653314 697594519 /nfs/dbraw/zinc/59/45/19/697594519.db2.gz XJDTWICNUISKAY-HOCLYGCPSA-N 1 0 305.422 1.787 10 0 DDAERO CCOCCN1CCN(C(=O)c2cncc(Cl)n2)C[C@H]1C ZINC000192352875 697626879 /nfs/dbraw/zinc/62/68/79/697626879.db2.gz WKMAHJRFWVFRRN-LLVKDONJSA-N 1 0 312.801 1.313 10 0 DDAERO C[C@@H](O)C[NH+]1CCC(CN(C)c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000192791293 697639350 /nfs/dbraw/zinc/63/93/50/697639350.db2.gz RBUSUEOQCMDHHJ-GFCCVEGCSA-N 1 0 322.409 1.706 10 0 DDAERO COc1ccc(CCC(=O)N[C@H]2C[NH+]3CCC2CC3)cc1OC ZINC000222557895 697757528 /nfs/dbraw/zinc/75/75/28/697757528.db2.gz YUFSLFNJKLCVSS-HNNXBMFYSA-N 1 0 318.417 1.847 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccnc1Cl ZINC000252662328 698403615 /nfs/dbraw/zinc/40/36/15/698403615.db2.gz XMZVHXVIDBKEJX-QWRGUYRKSA-N 1 0 315.826 1.592 10 0 DDAERO C[NH2+][C@H](C)CNS(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000261617470 698429362 /nfs/dbraw/zinc/42/93/62/698429362.db2.gz AZRGQONUYJNEHQ-SNVBAGLBSA-N 1 0 311.432 1.696 10 0 DDAERO C[NH2+][C@H](C)CNS(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000261618738 698429563 /nfs/dbraw/zinc/42/95/63/698429563.db2.gz BBAHEVAFWSGCPQ-MRVPVSSYSA-N 1 0 322.814 1.243 10 0 DDAERO CS(=O)(=O)c1ccc(N2CCC[C@H](CC[NH3+])C2)c(F)c1 ZINC000261646156 698430657 /nfs/dbraw/zinc/43/06/57/698430657.db2.gz CXKHPJXTIXWZDD-LLVKDONJSA-N 1 0 300.399 1.794 10 0 DDAERO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000261669816 698431733 /nfs/dbraw/zinc/43/17/33/698431733.db2.gz GRMABCBNCCCVDX-MRVPVSSYSA-N 1 0 308.856 1.948 10 0 DDAERO CCc1noc2ncc(S(=O)(=O)N[C@H]3CCC[C@@H]3C[NH3+])cc12 ZINC000261725925 698434898 /nfs/dbraw/zinc/43/48/98/698434898.db2.gz RUPDAEPETZNVJZ-RNCFNFMXSA-N 1 0 324.406 1.191 10 0 DDAERO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000261737859 698435299 /nfs/dbraw/zinc/43/52/99/698435299.db2.gz NTDKLFHMMYRMNC-NUTKFTJISA-N 1 0 315.417 1.705 10 0 DDAERO FC(F)(F)c1ccc(N2CC[C@@H](N3CC[NH2+]CC3)C2)nc1 ZINC000261736391 698435467 /nfs/dbraw/zinc/43/54/67/698435467.db2.gz RRWVFEKSOIRYEN-GFCCVEGCSA-N 1 0 300.328 1.584 10 0 DDAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1ccc(SC(F)(F)F)cc1 ZINC000262165002 698457666 /nfs/dbraw/zinc/45/76/66/698457666.db2.gz UDADZTCAHDAPGK-ZYHUDNBSSA-N 1 0 306.353 1.968 10 0 DDAERO C[C@H](C[C@H]1COCCN1)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000262374039 698466678 /nfs/dbraw/zinc/46/66/78/698466678.db2.gz XROKOLIJASWZCJ-NFAWXSAZSA-N 1 0 306.406 1.875 10 0 DDAERO CN(C)C(=O)CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309939904 698668950 /nfs/dbraw/zinc/66/89/50/698668950.db2.gz ZHENRQFXCABVEL-IXDOHACOSA-N 1 0 301.434 1.575 10 0 DDAERO CCOC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702839409 699233860 /nfs/dbraw/zinc/23/38/60/699233860.db2.gz OLUGBXMBRQKUPR-XQQFMLRXSA-N 1 0 302.415 1.229 10 0 DDAERO C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CCOC[C@@H]1O ZINC000706724047 699243985 /nfs/dbraw/zinc/24/39/85/699243985.db2.gz MAKIXHJQKWOMNT-RDBSUJKOSA-N 1 0 316.442 1.809 10 0 DDAERO CC(C)NC(=O)[C@H](C)[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711491413 699258726 /nfs/dbraw/zinc/25/87/26/699258726.db2.gz NYHJIWNAYVEVTN-HIFPTAJRSA-N 1 0 313.442 1.792 10 0 DDAERO [NH3+]C[C@@H]1C[C@H](C(=O)Nc2ccc(Br)c(F)c2)CO1 ZINC000713814139 699266983 /nfs/dbraw/zinc/26/69/83/699266983.db2.gz XHVWGTXMOUXNDW-CBAPKCEASA-N 1 0 317.158 1.891 10 0 DDAERO [NH3+]C1CC(CNC(=O)c2cc(Br)cnc2F)C1 ZINC000715146376 699274232 /nfs/dbraw/zinc/27/42/32/699274232.db2.gz RYJGYVUHKDYSGV-UHFFFAOYSA-N 1 0 302.147 1.450 10 0 DDAERO COC[C@](C)(CO)[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000716831607 699284871 /nfs/dbraw/zinc/28/48/71/699284871.db2.gz UQXQBVJLDFHYGK-QOZQQMKHSA-N 1 0 302.415 1.277 10 0 DDAERO COc1nc(NCC[C@@H]2C[NH2+]C[C@H]2C)ncc1Br ZINC000721036481 699310447 /nfs/dbraw/zinc/31/04/47/699310447.db2.gz QPPWSHAZAFMTNF-RKDXNWHRSA-N 1 0 315.215 1.905 10 0 DDAERO CN(C[C@@H]1CC[N@H+](C)C1)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724108683 699324833 /nfs/dbraw/zinc/32/48/33/699324833.db2.gz IQUWTFAHOFYGES-ZJUUUORDSA-N 1 0 304.303 1.819 10 0 DDAERO CC(=O)N1C[C@H]([NH2+]Cc2cncn2C)CC[C@@H]1C(F)(F)F ZINC000886031108 708685150 /nfs/dbraw/zinc/68/51/50/708685150.db2.gz NSINVOOQFZRADO-ZYHUDNBSSA-N 1 0 304.316 1.452 10 0 DDAERO NC(=O)c1cnn2c1C[C@H](C[NH2+]C/C=C\c1ccco1)CC2 ZINC000886035964 708686467 /nfs/dbraw/zinc/68/64/67/708686467.db2.gz VNZXDWRASBEHDF-BIVBXWGWSA-N 1 0 300.362 1.440 10 0 DDAERO COC1(CC[N@@H+]2CCC[C@](O)(Cc3nc(C)no3)C2)CCC1 ZINC000886079276 708693910 /nfs/dbraw/zinc/69/39/10/708693910.db2.gz DQAHULDGZJAUON-HNNXBMFYSA-N 1 0 309.410 1.707 10 0 DDAERO Cc1cccc(C)c1C[NH+]1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886079638 708694249 /nfs/dbraw/zinc/69/42/49/708694249.db2.gz GYEJFUZVKKJOQH-SFHVURJKSA-N 1 0 317.433 1.065 10 0 DDAERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)C(=O)c2cc(C)on2)C1 ZINC000886094261 708697176 /nfs/dbraw/zinc/69/71/76/708697176.db2.gz YZURBAJTUMKMOL-CFVMTHIKSA-N 1 0 307.394 1.697 10 0 DDAERO Cc1cc(-c2noc(CN3CCCC[C@@H]([NH3+])C3=O)n2)c(C)o1 ZINC000888078348 709210308 /nfs/dbraw/zinc/21/03/08/709210308.db2.gz KQYSUTSGMWSVOG-GFCCVEGCSA-N 1 0 304.350 1.786 10 0 DDAERO COc1ccc(F)c(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000181231110 199268500 /nfs/dbraw/zinc/26/85/00/199268500.db2.gz IXKZIDOAQRVFCO-LBPRGKRZSA-N 1 0 311.357 1.629 10 0 DDAERO CS(=O)(=O)CCSC[C@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000081768841 192323261 /nfs/dbraw/zinc/32/32/61/192323261.db2.gz YRFQKGIXTQNQMY-NSHDSACASA-N 1 0 317.432 1.235 10 0 DDAERO COc1ccc([C@H]([NH3+])[C@@H](C)SCCS(C)(=O)=O)cc1 ZINC000081769052 192323511 /nfs/dbraw/zinc/32/35/11/192323511.db2.gz GSVLPVOWMRBPMS-ZWNOBZJWSA-N 1 0 303.449 1.861 10 0 DDAERO Cc1nc2n(n1)CCC[C@H]2NC(=O)c1c[nH+]ccc1N(C)C ZINC000183864171 282104914 /nfs/dbraw/zinc/10/49/14/282104914.db2.gz OMPJFDLMMSOBHL-GFCCVEGCSA-N 1 0 300.366 1.312 10 0 DDAERO CCOC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000248771201 282107648 /nfs/dbraw/zinc/10/76/48/282107648.db2.gz RDAOFMBIFYXTSJ-CHWSQXEVSA-N 1 0 302.415 1.373 10 0 DDAERO CC[NH2+][C@H]1CCOC[C@H]1Sc1ccc(S(C)(=O)=O)cc1 ZINC000081892339 192334015 /nfs/dbraw/zinc/33/40/15/192334015.db2.gz RLQZICBYVWXPHY-UONOGXRCSA-N 1 0 315.460 1.949 10 0 DDAERO CCC[NH2+][C@H]1c2ccccc2C[C@H]1Sc1n[nH]c(=O)n1C ZINC000081880820 192334032 /nfs/dbraw/zinc/33/40/32/192334032.db2.gz SFPXMDHPGLBBRU-OLZOCXBDSA-N 1 0 304.419 1.866 10 0 DDAERO CC[NH+](CC)CCn1cc(N[C@H](C)CS(C)(=O)=O)cn1 ZINC000081900687 192334897 /nfs/dbraw/zinc/33/48/97/192334897.db2.gz ICKBFFAQRYMWAH-GFCCVEGCSA-N 1 0 302.444 1.070 10 0 DDAERO CC[NH2+][C@@H]1CCOC[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000081920178 192339342 /nfs/dbraw/zinc/33/93/42/192339342.db2.gz FQWKBFHJJAGQFR-CHWSQXEVSA-N 1 0 303.811 1.881 10 0 DDAERO [NH3+][C@@H](CS(=O)(=O)c1cccs1)c1ccc2c(c1)OCO2 ZINC000081926455 192339909 /nfs/dbraw/zinc/33/99/09/192339909.db2.gz NIQJLBJRZMLCNE-JTQLQIEISA-N 1 0 311.384 1.951 10 0 DDAERO O=C(C[C@@H]1CCC[NH2+]1)N1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000162937925 197601573 /nfs/dbraw/zinc/60/15/73/197601573.db2.gz CFLCOECHOQLMKK-MJBXVCDLSA-N 1 0 324.446 1.541 10 0 DDAERO CC[NH2+][C@@H](CS(=O)(=O)CCOC)c1cc(C)ccc1OC ZINC000081943482 192344287 /nfs/dbraw/zinc/34/42/87/192344287.db2.gz ADNNEKWPHDNRMO-AWEZNQCLSA-N 1 0 315.435 1.715 10 0 DDAERO C[NH2+][C@H]1CC[C@H](c2ccccc2)C[C@@H]1S(=O)(=O)CCOC ZINC000081944899 192344959 /nfs/dbraw/zinc/34/49/59/192344959.db2.gz GPUIHRQLOYNYHO-JYJNAYRXSA-N 1 0 311.447 1.972 10 0 DDAERO CC[C@H](CC[NH3+])CCC(=O)Nc1ccccc1S(N)(=O)=O ZINC000079211220 185161540 /nfs/dbraw/zinc/16/15/40/185161540.db2.gz UIIVLQFWOIDRKT-NSHDSACASA-N 1 0 313.423 1.428 10 0 DDAERO CC(C)[C@@H](CC[NH3+])CCC(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000079279027 185163145 /nfs/dbraw/zinc/16/31/45/185163145.db2.gz RIJZMYVAVOKCIU-CHWSQXEVSA-N 1 0 304.456 1.081 10 0 DDAERO COCCS(=O)(=O)C[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000081944824 192345515 /nfs/dbraw/zinc/34/55/15/192345515.db2.gz PDLLIWDTRWNSHV-WRHSUISWSA-N 1 0 301.452 1.591 10 0 DDAERO C[NH+]1CCC(N2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000082348081 185176748 /nfs/dbraw/zinc/17/67/48/185176748.db2.gz LFBSVJRTXAUDAB-UHFFFAOYSA-N 1 0 305.397 1.678 10 0 DDAERO C[NH+]1CCC(N2CCN(C(=O)Cc3ccccc3)CC2)CC1 ZINC000082348102 185176855 /nfs/dbraw/zinc/17/68/55/185176855.db2.gz AHYFSLFLYWTTLD-UHFFFAOYSA-N 1 0 301.434 1.468 10 0 DDAERO CCN(C[C@@H](O)C(F)(F)F)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000249512425 282163654 /nfs/dbraw/zinc/16/36/54/282163654.db2.gz OIHZMTUZXWIEOF-GHMZBOCLSA-N 1 0 311.348 1.425 10 0 DDAERO Cn1cc([C@H]2CCCN2[C@H]2CCN(C3CCOCC3)C2=O)cn1 ZINC000328600203 231237305 /nfs/dbraw/zinc/23/73/05/231237305.db2.gz CUKDNDHBZKCLSC-CVEARBPZSA-N 1 0 318.421 1.337 10 0 DDAERO C[C@@H]1CC[N@H+](C[C@H](O)COCc2ccccc2)[C@@H](C(N)=O)C1 ZINC000249569071 282174822 /nfs/dbraw/zinc/17/48/22/282174822.db2.gz NUNDMVJOSZYMRJ-VNQPRFMTSA-N 1 0 306.406 1.150 10 0 DDAERO CS(=O)(=O)C[C@@H](O)[C@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000087368405 185222843 /nfs/dbraw/zinc/22/28/43/185222843.db2.gz JJJINGGKMGZHPX-MWLCHTKSSA-N 1 0 312.218 1.441 10 0 DDAERO CC(C)[C@H](C[NH3+])NS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000087404459 185223729 /nfs/dbraw/zinc/22/37/29/185223729.db2.gz ZRUDWLXIQQHZDX-LBPRGKRZSA-N 1 0 314.407 1.110 10 0 DDAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(OC)cc1OC ZINC000087404061 185223876 /nfs/dbraw/zinc/22/38/76/185223876.db2.gz CRPPAMFDVOYXPB-JTQLQIEISA-N 1 0 302.396 1.110 10 0 DDAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1cccc2cc(C)cnc21 ZINC000087404191 185223898 /nfs/dbraw/zinc/22/38/98/185223898.db2.gz RCGFNOSCJXYEJQ-ZDUSSCGKSA-N 1 0 307.419 1.949 10 0 DDAERO CC(C)[C@H](C[NH3+])NS(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000087404636 185224173 /nfs/dbraw/zinc/22/41/73/185224173.db2.gz VUHVKBLPPVQKQP-LBPRGKRZSA-N 1 0 310.375 1.055 10 0 DDAERO C[NH2+]CCCN(C)c1ccc(N)cc1I ZINC000087471399 185225794 /nfs/dbraw/zinc/22/57/94/185225794.db2.gz MXFQGBRHOQVXDM-UHFFFAOYSA-N 1 0 319.190 1.919 10 0 DDAERO CC[C@H]([NH3+])c1cccc(S(=O)(=O)NCCc2c[nH]cn2)c1 ZINC000087545699 185228006 /nfs/dbraw/zinc/22/80/06/185228006.db2.gz KENDREZSLMMNCQ-AWEZNQCLSA-N 1 0 308.407 1.341 10 0 DDAERO COc1c(C)cnc(CSc2nnc(C)n2CC[NH3+])c1C ZINC000087711375 185230989 /nfs/dbraw/zinc/23/09/89/185230989.db2.gz WLVFYKFQYVZASO-UHFFFAOYSA-N 1 0 307.423 1.858 10 0 DDAERO COc1ccc([C@H](C)[NH2+]C(CO)CO)cc1Br ZINC000087750118 185231486 /nfs/dbraw/zinc/23/14/86/185231486.db2.gz QNRRDMCETUXPLX-QMMMGPOBSA-N 1 0 304.184 1.462 10 0 DDAERO C[C@H](C[NH3+])CS(=O)(=O)Cc1ccccc1Br ZINC000088090146 185239511 /nfs/dbraw/zinc/23/95/11/185239511.db2.gz YBNYNTVOHVEZBU-SECBINFHSA-N 1 0 306.225 1.959 10 0 DDAERO COc1ccc(Br)c(C[C@@H]([NH3+])[C@H]2COCCO2)c1 ZINC000087857222 185233717 /nfs/dbraw/zinc/23/37/17/185233717.db2.gz UJVTWCNVSLWAKW-CHWSQXEVSA-N 1 0 316.195 1.743 10 0 DDAERO CC[NH2+][C@@H](c1ccccc1)[C@@H](C)S(=O)(=O)CC(=O)OCC ZINC000081977005 192348202 /nfs/dbraw/zinc/34/82/02/192348202.db2.gz PZIMUEQRWLJBMG-IUODEOHRSA-N 1 0 313.419 1.704 10 0 DDAERO CC[NH2+]Cc1nnnn1-c1c(F)cc(Br)cc1F ZINC000088172793 185240954 /nfs/dbraw/zinc/24/09/54/185240954.db2.gz FQAUILCIJXRKJW-UHFFFAOYSA-N 1 0 318.125 1.813 10 0 DDAERO CCC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1S(=O)(=O)CC(=O)OCC ZINC000081977422 192348311 /nfs/dbraw/zinc/34/83/11/192348311.db2.gz INHOYPNXQUKNMQ-OLZOCXBDSA-N 1 0 319.467 1.911 10 0 DDAERO CCC[C@H]1CC[C@@H]([NH2+]CC)[C@H](S(=O)(=O)CC(=O)OCC)C1 ZINC000081977199 192348344 /nfs/dbraw/zinc/34/83/44/192348344.db2.gz ZJVLXJJPMALORH-BFHYXJOUSA-N 1 0 319.467 1.911 10 0 DDAERO CC(C)Cc1nnc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCCO2)s1 ZINC000183130812 539240934 /nfs/dbraw/zinc/24/09/34/539240934.db2.gz AEGJGQPFBSRVFR-QWRGUYRKSA-N 1 0 312.439 1.832 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)Nc1ccc(C)cc1Cl)C(C)C ZINC000183636829 539242780 /nfs/dbraw/zinc/24/27/80/539242780.db2.gz DHFITXDODOOHHM-CQSZACIVSA-N 1 0 311.813 1.947 10 0 DDAERO C[C@H](C[NH3+])S(=O)(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000088471901 185252061 /nfs/dbraw/zinc/25/20/61/185252061.db2.gz NSBKWVGSGUQLPO-FBBNDTIESA-N 1 0 300.468 1.858 10 0 DDAERO O=C(CN1CCC[NH2+]CC1)Nc1ncccc1Br ZINC000088447176 185251245 /nfs/dbraw/zinc/25/12/45/185251245.db2.gz RALNJVSQYFKECW-UHFFFAOYSA-N 1 0 313.199 1.078 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CC[C@H]1CCCO1 ZINC000246036100 539269308 /nfs/dbraw/zinc/26/93/08/539269308.db2.gz QTYJNTQANFJXSR-HZSPNIEDSA-N 1 0 302.440 1.054 10 0 DDAERO CCOc1ccc([C@H](CS(=O)(=O)CCCOC)[NH2+]C)cc1 ZINC000081986277 192349236 /nfs/dbraw/zinc/34/92/36/192349236.db2.gz ACSABXFHRYYTJJ-HNNXBMFYSA-N 1 0 315.435 1.797 10 0 DDAERO COCCCS(=O)(=O)Cc1cc([C@H](C)[NH3+])ccc1OC ZINC000081985244 192349473 /nfs/dbraw/zinc/34/94/73/192349473.db2.gz UOKJWHABXNDTLT-NSHDSACASA-N 1 0 301.408 1.666 10 0 DDAERO C[NH2+][C@@H](CS(=O)(=O)C(C)C)c1ccc(OC)c(OC)c1 ZINC000081980374 192349924 /nfs/dbraw/zinc/34/99/24/192349924.db2.gz SWQXJPFQRCNBIL-LBPRGKRZSA-N 1 0 301.408 1.788 10 0 DDAERO C[NH2+]Cc1cn(CCS(=O)(=O)c2ccc(Cl)cc2)nn1 ZINC000090295858 185289840 /nfs/dbraw/zinc/28/98/40/185289840.db2.gz NRAYYVHCTSBLSS-UHFFFAOYSA-N 1 0 314.798 1.125 10 0 DDAERO COc1ccc(Cl)cc1C(=O)N1CCN(C2C[NH2+]C2)CC1 ZINC000090307098 185290276 /nfs/dbraw/zinc/29/02/76/185290276.db2.gz KLEOVKBCOVWZFA-UHFFFAOYSA-N 1 0 309.797 1.078 10 0 DDAERO O=C(Cc1c(F)cccc1Cl)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308946 185290537 /nfs/dbraw/zinc/29/05/37/185290537.db2.gz ONSJNTILPJPKMW-UHFFFAOYSA-N 1 0 311.788 1.138 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000090331731 185291434 /nfs/dbraw/zinc/29/14/34/185291434.db2.gz BPYFGOINNAMWAS-LERXQTSPSA-N 1 0 314.838 1.959 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1CC(=O)Nc1cccnc1Cl ZINC000090337880 185291959 /nfs/dbraw/zinc/29/19/59/185291959.db2.gz LWTHJVGHUJARQM-GHMZBOCLSA-N 1 0 308.813 1.603 10 0 DDAERO C[C@@H]([NH3+])CCSCCOc1ccc(S(N)(=O)=O)cc1 ZINC000090346737 185292136 /nfs/dbraw/zinc/29/21/36/185292136.db2.gz ITUUTTGLFQJXPC-SNVBAGLBSA-N 1 0 304.437 1.183 10 0 DDAERO CC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(Br)cn1 ZINC000090488339 185298848 /nfs/dbraw/zinc/29/88/48/185298848.db2.gz WUCJDBBERUQMCE-UWVGGRQHSA-N 1 0 314.183 1.407 10 0 DDAERO C[C@@H](NC(=O)[C@@H]1COC[C@@H]1[NH3+])c1cccc(Br)c1 ZINC000090379713 185293476 /nfs/dbraw/zinc/29/34/76/185293476.db2.gz KIOQLXSFWSWGJA-FXAINCCUSA-N 1 0 313.195 1.600 10 0 DDAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1COC[C@@H]1[NH3+] ZINC000090381751 185293508 /nfs/dbraw/zinc/29/35/08/185293508.db2.gz OBBLXUIXMDHOIV-CABZTGNLSA-N 1 0 303.189 1.926 10 0 DDAERO [NH3+][C@H]1COC[C@H]1C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000090380132 185293709 /nfs/dbraw/zinc/29/37/09/185293709.db2.gz FGWXAVOMMTUMPB-MNOVXSKESA-N 1 0 304.268 1.540 10 0 DDAERO C[C@@]1(C(=O)NCc2ccc(C(F)(F)F)cc2)COC[C@@H]1[NH3+] ZINC000090603547 185306171 /nfs/dbraw/zinc/30/61/71/185306171.db2.gz ZNITVIZZQVPSDC-WCQYABFASA-N 1 0 302.296 1.685 10 0 DDAERO C[NH+](C)[C@@H]1CCN(c2ncncc2I)C1 ZINC000090782252 185311827 /nfs/dbraw/zinc/31/18/27/185311827.db2.gz HMBJCDVBNRKMNU-MRVPVSSYSA-N 1 0 318.162 1.222 10 0 DDAERO Cc1noc(C)c1[C@@H](C)NS(=O)(=O)c1csc(C[NH3+])c1 ZINC000092344044 185313313 /nfs/dbraw/zinc/31/33/13/185313313.db2.gz UCYNADKUYNOZDO-MRVPVSSYSA-N 1 0 315.420 1.851 10 0 DDAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C)CC2 ZINC000092389917 185315697 /nfs/dbraw/zinc/31/56/97/185315697.db2.gz SZPQYGDNGMAAQH-VXGBXAGGSA-N 1 0 306.391 1.224 10 0 DDAERO CNc1cc[nH+]c(CN2C(=O)N[C@](C)(C(F)(F)F)C2=O)c1 ZINC000092419871 185317272 /nfs/dbraw/zinc/31/72/72/185317272.db2.gz XDGIGLABJNENGX-NSHDSACASA-N 1 0 302.256 1.496 10 0 DDAERO C[C@H](O)c1ccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000092666780 185332548 /nfs/dbraw/zinc/33/25/48/185332548.db2.gz AZBHTXYKJLTSGR-JSGCOSHPSA-N 1 0 312.435 1.455 10 0 DDAERO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1sc2nccnc2c1N ZINC000092677984 185333331 /nfs/dbraw/zinc/33/33/31/185333331.db2.gz QCKBNZGGCFUTEF-SECBINFHSA-N 1 0 305.407 1.440 10 0 DDAERO CN(CC(=O)Nc1ccc(Cl)cc1N)C[C@H]1CCC[N@@H+]1C ZINC000092621500 185329871 /nfs/dbraw/zinc/32/98/71/185329871.db2.gz INODSMGROQQYMZ-GFCCVEGCSA-N 1 0 310.829 1.887 10 0 DDAERO [NH3+]C1CCN(CC(=O)Nc2ncc(Br)s2)CC1 ZINC000092713955 185336012 /nfs/dbraw/zinc/33/60/12/185336012.db2.gz TVPZBCITKAFKDV-UHFFFAOYSA-N 1 0 319.228 1.267 10 0 DDAERO Cc1cc(N2CCO[C@@H](C[NH+](C)C)C2)nc(-c2ccncc2)n1 ZINC000108951730 185543367 /nfs/dbraw/zinc/54/33/67/185543367.db2.gz JQDBHJFYIPCZSG-HNNXBMFYSA-N 1 0 313.405 1.614 10 0 DDAERO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1c(C)cc(F)cc1C ZINC000229383808 201832715 /nfs/dbraw/zinc/83/27/15/201832715.db2.gz JBBDVVAVFUACMK-CYBMUJFWSA-N 1 0 300.399 1.815 10 0 DDAERO CCN1CCO[C@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000389853952 539509942 /nfs/dbraw/zinc/50/99/42/539509942.db2.gz YHSGDJYWQRGDIB-BHIYHBOVSA-N 1 0 317.477 1.817 10 0 DDAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@@H](c2nnc[nH]2)C1 ZINC000616630816 362762907 /nfs/dbraw/zinc/76/29/07/362762907.db2.gz USQNDSSECRTIKT-GFCCVEGCSA-N 1 0 309.414 1.899 10 0 DDAERO COC(=O)[C@]1(c2cc(F)ccc2Br)CC[NH2+]C1 ZINC000616574490 539559826 /nfs/dbraw/zinc/55/98/26/539559826.db2.gz QNBPADZZJRIPQL-GFCCVEGCSA-N 1 0 302.143 1.992 10 0 DDAERO CCNS(=O)(=O)c1ccc(N2CCC[C@H](C)[C@@H]2C[NH3+])cc1 ZINC000070178377 190868807 /nfs/dbraw/zinc/86/88/07/190868807.db2.gz XZTDLRPUFBWPDM-WFASDCNBSA-N 1 0 311.451 1.548 10 0 DDAERO CCN(CCC[NH2+][C@@H]1CCO[C@@](C)(CC)C1)S(C)(=O)=O ZINC000070359069 190882454 /nfs/dbraw/zinc/88/24/54/190882454.db2.gz IOTWDTYJFUXLGX-KGLIPLIRSA-N 1 0 306.472 1.595 10 0 DDAERO CCc1nc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)[NH2+]C)c[nH]1 ZINC000070418052 190888173 /nfs/dbraw/zinc/88/81/73/190888173.db2.gz MQBCYOKEVKOBET-MNOVXSKESA-N 1 0 300.428 1.123 10 0 DDAERO COCCc1noc(-c2cccnc2N2CCC[C@H]([NH3+])C2)n1 ZINC000070457978 190897314 /nfs/dbraw/zinc/89/73/14/190897314.db2.gz ONUZJYFLRQLUDP-NSHDSACASA-N 1 0 303.366 1.248 10 0 DDAERO CCCNS(=O)(=O)c1ccccc1N(CC)[C@H]1CC[NH2+]C1 ZINC000071314389 190956594 /nfs/dbraw/zinc/95/65/94/190956594.db2.gz NXJPXUKDJLMTHR-ZDUSSCGKSA-N 1 0 311.451 1.563 10 0 DDAERO NC(=O)CCC[NH2+]Cc1ccc(I)cc1 ZINC000083849225 192386630 /nfs/dbraw/zinc/38/66/30/192386630.db2.gz SHZCLKGCBUGVTK-UHFFFAOYSA-N 1 0 318.158 1.646 10 0 DDAERO CCC[C@H](C[S@](=O)c1ccc(S(C)(=O)=O)cc1)[NH2+]C ZINC000084056397 192397636 /nfs/dbraw/zinc/39/76/36/192397636.db2.gz CCLZBJJUDRRSRD-ADLMAVQZSA-N 1 0 303.449 1.586 10 0 DDAERO CCC[NH2+]CCC[S@@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084056317 192397902 /nfs/dbraw/zinc/39/79/02/192397902.db2.gz BVWWVSAFYUPXFW-SFHVURJKSA-N 1 0 303.449 1.587 10 0 DDAERO C[NH2+][C@@H](C)CCCC[S@@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084056118 192398028 /nfs/dbraw/zinc/39/80/28/192398028.db2.gz FUYMAHPONMBAAX-BUXKBTBVSA-N 1 0 317.476 1.976 10 0 DDAERO CCC[NH2+][C@@](C)(C[C@@H](C)n1cc(Br)cn1)C(N)=O ZINC000084363894 192425489 /nfs/dbraw/zinc/42/54/89/192425489.db2.gz ZQGSXMCHPFTBSK-SKDRFNHKSA-N 1 0 317.231 1.840 10 0 DDAERO NC(=O)c1ccc(NC(=O)Cc2csc(CCC[NH3+])n2)cc1 ZINC000071695579 191008204 /nfs/dbraw/zinc/00/82/04/191008204.db2.gz LJPJBZQYYQTZDI-UHFFFAOYSA-N 1 0 318.402 1.315 10 0 DDAERO Nc1cccc2ccc(CC(=O)N3CC[C@@]4(CC[NH2+]C4)C3)nc12 ZINC000071697963 191009102 /nfs/dbraw/zinc/00/91/02/191009102.db2.gz IGFIXPQSAQSJLZ-GOSISDBHSA-N 1 0 310.401 1.572 10 0 DDAERO COCC[NH+]1CCC(NC(=O)N[C@H]2COc3ccccc32)CC1 ZINC000171194497 197896786 /nfs/dbraw/zinc/89/67/86/197896786.db2.gz QZSHANOEZXUKID-HNNXBMFYSA-N 1 0 319.405 1.530 10 0 DDAERO CCN(CC)C(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000164282439 186154729 /nfs/dbraw/zinc/15/47/29/186154729.db2.gz CZLNOJDFOVZQFC-UHFFFAOYSA-N 1 0 321.421 1.742 10 0 DDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C[C@H](NC(N)=O)c1cccs1 ZINC000262844822 186312045 /nfs/dbraw/zinc/31/20/45/186312045.db2.gz YEJADWRGOAIWKF-AXFHLTTASA-N 1 0 310.423 1.104 10 0 DDAERO Cc1ccc(NCCCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000171901354 198005385 /nfs/dbraw/zinc/00/53/85/198005385.db2.gz LWDLIHCARBDJNB-HNNXBMFYSA-N 1 0 317.437 1.682 10 0 DDAERO COC(=O)Nc1ccccc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171976320 198019414 /nfs/dbraw/zinc/01/94/14/198019414.db2.gz MSFKIOFBMZTEGQ-GFCCVEGCSA-N 1 0 303.362 1.785 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)NCCc2ccc3c(c2)CCO3)C1 ZINC000172078104 198035493 /nfs/dbraw/zinc/03/54/93/198035493.db2.gz TWLIHWGTNCGCOT-OAHLLOKOSA-N 1 0 303.406 1.510 10 0 DDAERO O[C@H]1COCC[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000623766207 366044999 /nfs/dbraw/zinc/04/49/99/366044999.db2.gz BZNQAASQIQYJGH-NEPJUHHUSA-N 1 0 304.159 1.828 10 0 DDAERO CCNC(=O)C(=O)NCC1CC[NH+](Cc2cc(C)oc2C)CC1 ZINC000043941055 352377460 /nfs/dbraw/zinc/37/74/60/352377460.db2.gz WRHFJEURQVFKJK-UHFFFAOYSA-N 1 0 321.421 1.361 10 0 DDAERO COCC[N@H+](C)C[C@@H](O)COc1cccc(Br)c1 ZINC000054423343 352691347 /nfs/dbraw/zinc/69/13/47/352691347.db2.gz VXXQFSMXKZIVIE-GFCCVEGCSA-N 1 0 318.211 1.767 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2nc3ccccc3n2C)C1 ZINC000057796136 352828676 /nfs/dbraw/zinc/82/86/76/352828676.db2.gz SOYXVYHBGGPBKH-ZDUSSCGKSA-N 1 0 315.421 1.857 10 0 DDAERO CC(C)n1nccc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000173237342 198199854 /nfs/dbraw/zinc/19/98/54/198199854.db2.gz IGOZLGSDOADILW-QWHCGFSZSA-N 1 0 309.414 1.383 10 0 DDAERO CCCCNC(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000174001249 198279121 /nfs/dbraw/zinc/27/91/21/198279121.db2.gz UHCSKEVFVJGNLB-GFCCVEGCSA-N 1 0 306.414 1.586 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2c(F)cc(F)cc2F)C1 ZINC000174006859 198280848 /nfs/dbraw/zinc/28/08/48/198280848.db2.gz VCLKFCIGXYQCQG-VIFPVBQESA-N 1 0 315.295 1.205 10 0 DDAERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccncc3)C2=O)n(C)n1 ZINC000174343730 198322042 /nfs/dbraw/zinc/32/20/42/198322042.db2.gz SBCGEPNPEAPBIP-UKRRQHHQSA-N 1 0 313.405 1.970 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000174536482 198349151 /nfs/dbraw/zinc/34/91/51/198349151.db2.gz XWFOTQYOEOZDIU-LBPRGKRZSA-N 1 0 314.389 1.479 10 0 DDAERO C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000091338385 353824544 /nfs/dbraw/zinc/82/45/44/353824544.db2.gz WROHZEOCHRQNCF-ZWNOBZJWSA-N 1 0 300.424 1.392 10 0 DDAERO CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000250242685 354380917 /nfs/dbraw/zinc/38/09/17/354380917.db2.gz TYMLLELJGRUMJU-BFHYXJOUSA-N 1 0 314.474 1.565 10 0 DDAERO C[N@H+](CC1CC1)C[C@H]1CN(Cc2cnc3cnccn23)CCO1 ZINC000328632032 354554315 /nfs/dbraw/zinc/55/43/15/354554315.db2.gz LDHGFDMUJHXUBO-INIZCTEOSA-N 1 0 315.421 1.272 10 0 DDAERO C[C@@H]1CC([NH2+][C@@H]2CCCN(c3nccn(C)c3=O)C2)C[C@@H](C)O1 ZINC000328637506 354556447 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305.488 1.120 10 0 DDAERO C[NH2+]CC1CCN(S(=O)(=O)N(C)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000088995556 192687021 /nfs/dbraw/zinc/68/70/21/192687021.db2.gz WMKUYZJACLYJSX-HIFRSBDPSA-N 1 0 317.499 1.673 10 0 DDAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CCNC(=O)c3cccs3)C[C@@H]12 ZINC000185085591 199806614 /nfs/dbraw/zinc/80/66/14/199806614.db2.gz LJZJKUJROPISEC-QJPTWQEYSA-N 1 0 307.419 1.064 10 0 DDAERO CC(C)CN(C1CC1)S(=O)(=O)c1ccc(OCC[NH3+])cc1 ZINC000089004220 192692711 /nfs/dbraw/zinc/69/27/11/192692711.db2.gz OAGCMUZONUWGTR-UHFFFAOYSA-N 1 0 312.435 1.833 10 0 DDAERO CCC[NH2+]CCCS(=O)(=O)N(CCOC)C(CC)CC ZINC000089006753 192693246 /nfs/dbraw/zinc/69/32/46/192693246.db2.gz JAIANRFTPGLULH-UHFFFAOYSA-N 1 0 308.488 1.843 10 0 DDAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](O)c2ccccc2)CC1 ZINC000180355837 199149928 /nfs/dbraw/zinc/14/99/28/199149928.db2.gz IEQPVICTFXLBQA-RHSMWYFYSA-N 1 0 320.433 1.271 10 0 DDAERO CSc1nccn1-c1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC000237291920 202220704 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COCc1cc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)ncn1 ZINC000093318236 193232116 /nfs/dbraw/zinc/23/21/16/193232116.db2.gz DPCRMBKZAQHOLP-WCQYABFASA-N 1 0 305.382 1.323 10 0 DDAERO C[C@]1(c2ccc(S(C)(=O)=O)cc2)CNC(=[NH2+])N1CC1CC1 ZINC000093393758 193243437 /nfs/dbraw/zinc/24/34/37/193243437.db2.gz ZVSKNBBNFJGEHI-OAHLLOKOSA-N 1 0 307.419 1.346 10 0 DDAERO CCC[C@](C)([NH3+])C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)OC ZINC000262719384 203391225 /nfs/dbraw/zinc/39/12/25/203391225.db2.gz YAAHOUZXOMDYDZ-DYVFJYSZSA-N 1 0 322.405 1.358 10 0 DDAERO Cc1nc(SCC[C@H]2CCC[C@@]2([NH2+]C(C)C)C(N)=O)n[nH]1 ZINC000093630059 193275858 /nfs/dbraw/zinc/27/58/58/193275858.db2.gz GYKIIIAINSWNSZ-RISCZKNCSA-N 1 0 311.455 1.618 10 0 DDAERO NC(=O)[C@@]1([NH2+]C2CC2)CCC[C@@H]1CCSc1cnccn1 ZINC000093630809 193277215 /nfs/dbraw/zinc/27/72/15/193277215.db2.gz JTCGLWZTGKBDHG-IAQYHMDHSA-N 1 0 306.435 1.735 10 0 DDAERO CCC(CC)(CN)[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093695993 193291574 /nfs/dbraw/zinc/29/15/74/193291574.db2.gz BRURPJAVAYJJTK-ZDUSSCGKSA-N 1 0 305.488 1.107 10 0 DDAERO CC1(C)C(C[NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)C1(C)C ZINC000093697187 193292410 /nfs/dbraw/zinc/29/24/10/193292410.db2.gz PPQXFQBENOOKIM-LBPRGKRZSA-N 1 0 302.484 1.930 10 0 DDAERO CS(=O)(=O)N1CCC[C@@H](COCC[C@@H]2CCCC[NH2+]2)C1 ZINC000093697820 193292540 /nfs/dbraw/zinc/29/25/40/193292540.db2.gz YRZPDCXKQUANIM-KGLIPLIRSA-N 1 0 304.456 1.207 10 0 DDAERO CC(C)[NH+]1CCC(O)(C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093698684 193293353 /nfs/dbraw/zinc/29/33/53/193293353.db2.gz LYTZNENHHKGFDH-CQSZACIVSA-N 1 0 318.483 1.283 10 0 DDAERO CC[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccncn1 ZINC000093700343 193293876 /nfs/dbraw/zinc/29/38/76/193293876.db2.gz MPPABMGSPSOSTG-JSGCOSHPSA-N 1 0 312.439 1.189 10 0 DDAERO Cc1nc(C[C@H]([NH3+])C[C@@H]2CCCN(S(C)(=O)=O)C2)cs1 ZINC000093700259 193294151 /nfs/dbraw/zinc/29/41/51/193294151.db2.gz HQBSRJYEJIXIHA-NWDGAFQWSA-N 1 0 317.480 1.383 10 0 DDAERO CC[C@H]([NH3+])Cc1ccn(C[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000093701805 193294568 /nfs/dbraw/zinc/29/45/68/193294568.db2.gz XDGHKQZLFVISMZ-CABCVRRESA-N 1 0 313.467 1.440 10 0 DDAERO CC(C)[NH2+][C@@]1(CO)CCC[C@H](SCCS(C)(=O)=O)C1 ZINC000093785994 193307310 /nfs/dbraw/zinc/30/73/10/193307310.db2.gz HZVNMRCPPNNPTQ-STQMWFEESA-N 1 0 309.497 1.436 10 0 DDAERO CC[NH+](CC)CCCNS(=O)(=O)c1c(C)cc(N)cc1C ZINC000093648127 193283923 /nfs/dbraw/zinc/28/39/23/193283923.db2.gz KVOQLSFNAGVXLH-UHFFFAOYSA-N 1 0 313.467 1.896 10 0 DDAERO CC[NH2+]Cc1ccccc1NS(=O)(=O)CCOC(C)C ZINC000093666841 193287043 /nfs/dbraw/zinc/28/70/43/193287043.db2.gz JZCMXQZYWUQOEC-UHFFFAOYSA-N 1 0 300.424 1.963 10 0 DDAERO C[NH+](C)[C@H]1CC[C@H](NC(=O)c2ccc(C(=O)NC3CC3)cc2)C1 ZINC000093987512 193335645 /nfs/dbraw/zinc/33/56/45/193335645.db2.gz QVFKFQPUGDTRDC-HOTGVXAUSA-N 1 0 315.417 1.791 10 0 DDAERO NC(=O)[C@]1([NH2+]C2CC2)CC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000093833461 193314396 /nfs/dbraw/zinc/31/43/96/193314396.db2.gz KXJAGVYVADXMEZ-SKDRFNHKSA-N 1 0 302.300 1.603 10 0 DDAERO COC(=O)[C@]1([NH3+])CC[C@@H](n2nc(C)c(Br)c2C)C1 ZINC000093833797 193314462 /nfs/dbraw/zinc/31/44/62/193314462.db2.gz KFDVSLUZFDUSQK-SKDRFNHKSA-N 1 0 316.199 1.858 10 0 DDAERO CCCN(CC(C)(C)C[NH3+])S(=O)(=O)c1c[nH]c(CC)n1 ZINC000093878255 193322065 /nfs/dbraw/zinc/32/20/65/193322065.db2.gz DLYZRTSBLBRUKN-UHFFFAOYSA-N 1 0 302.444 1.358 10 0 DDAERO CCCN(CC(C)(C)C[NH3+])S(=O)(=O)c1cn(C)c(C)n1 ZINC000093891009 193324263 /nfs/dbraw/zinc/32/42/63/193324263.db2.gz XLXHGCDOFRGUDW-UHFFFAOYSA-N 1 0 302.444 1.114 10 0 DDAERO CCc1nn(C)c(C[C@@H]([NH2+]C)[C@H]2CN(CC)CCO2)c1Cl ZINC000093914190 193328890 /nfs/dbraw/zinc/32/88/90/193328890.db2.gz KBJWZHYERWZHGY-TZMCWYRMSA-N 1 0 314.861 1.487 10 0 DDAERO C[C@H]1CCCN(S(=O)(=O)N(CC2CC[NH2+]CC2)C2CC2)C1 ZINC000094024154 193339336 /nfs/dbraw/zinc/33/93/36/193339336.db2.gz PWUFDXKWLIVSQU-ZDUSSCGKSA-N 1 0 315.483 1.427 10 0 DDAERO CCC([NH3+])(CC)C(=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000094245656 193354861 /nfs/dbraw/zinc/35/48/61/193354861.db2.gz SPDMMSFDYZDLPR-UHFFFAOYSA-N 1 0 305.304 1.157 10 0 DDAERO COc1cccc([C@@H]([C@H](C)[NH3+])N(C)CCS(C)(=O)=O)c1 ZINC000094297290 193357173 /nfs/dbraw/zinc/35/71/73/193357173.db2.gz IZPKNTZMIHUNMG-SMDDNHRTSA-N 1 0 300.424 1.060 10 0 DDAERO C[NH2+][C@@H](c1ccccc1)[C@H](C(C)C)N(C)CCS(C)(=O)=O ZINC000094298122 193357365 /nfs/dbraw/zinc/35/73/65/193357365.db2.gz PZSYJYCQXKAVGZ-HOTGVXAUSA-N 1 0 312.479 1.948 10 0 DDAERO CN(CCS(C)(=O)=O)c1cc(Br)ccc1C[NH3+] ZINC000094299188 193357569 /nfs/dbraw/zinc/35/75/69/193357569.db2.gz NYSOGRQDEUXIBI-UHFFFAOYSA-N 1 0 321.240 1.389 10 0 DDAERO CC[NH2+][C@H](CN(C)CCS(C)(=O)=O)c1ccc(CC)cc1 ZINC000094298371 193357969 /nfs/dbraw/zinc/35/79/69/193357969.db2.gz MMWZAZUZRRWSHH-MRXNPFEDSA-N 1 0 312.479 1.876 10 0 DDAERO CCCc1ccc([C@@H](CN(C)CCS(C)(=O)=O)[NH2+]C)cc1 ZINC000094298257 193358045 /nfs/dbraw/zinc/35/80/45/193358045.db2.gz KIZUMTZOWBMNMM-MRXNPFEDSA-N 1 0 312.479 1.876 10 0 DDAERO CC(C)C[NH2+]C[C@@H](c1ccccc1)N(C)CCS(C)(=O)=O ZINC000094300922 193358526 /nfs/dbraw/zinc/35/85/26/193358526.db2.gz WQBYPOQBNIPMBM-INIZCTEOSA-N 1 0 312.479 1.950 10 0 DDAERO NC(=[NH2+])c1ccc(C(F)(F)F)nc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000094336778 193360843 /nfs/dbraw/zinc/36/08/43/193360843.db2.gz JXSCVBZQBUQPAR-OCAPTIKFSA-N 1 0 300.284 1.752 10 0 DDAERO NC(=O)c1ccc(C(F)(F)F)nc1OC[C@H]1CCCC[NH2+]1 ZINC000094337701 193360945 /nfs/dbraw/zinc/36/09/45/193360945.db2.gz AUVFSCLGWMMVAS-MRVPVSSYSA-N 1 0 303.284 1.720 10 0 DDAERO NC(=O)c1ccc(C(F)(F)F)nc1N[C@H]1CCCC[NH2+]C1 ZINC000094337474 193361046 /nfs/dbraw/zinc/36/10/46/193361046.db2.gz FWCLWPJDPLTVJT-QMMMGPOBSA-N 1 0 302.300 1.753 10 0 DDAERO NC(=O)c1ccc(C(F)(F)F)nc1OC[C@@H]1CCC[NH2+]C1 ZINC000094337696 193361074 /nfs/dbraw/zinc/36/10/74/193361074.db2.gz YRTPMBGBKYQNFP-MRVPVSSYSA-N 1 0 303.284 1.578 10 0 DDAERO [NH3+]C[C@@]1(O[C@@H]2CCOC3(CCSCC3)C2)CCCOC1 ZINC000094362004 193365662 /nfs/dbraw/zinc/36/56/62/193365662.db2.gz ZSHWRYMGCOOHOC-HIFRSBDPSA-N 1 0 301.452 1.956 10 0 DDAERO Cc1nn(C)c(CN(C)CC2CC[NH2+]CC2)c1Br ZINC000094024480 193339951 /nfs/dbraw/zinc/33/99/51/193339951.db2.gz YHPWWZIQXFCSBF-UHFFFAOYSA-N 1 0 315.259 1.922 10 0 DDAERO Nc1cc(Br)ccc1C(=O)NCC[NH+]1CCCC1 ZINC000094042510 193340521 /nfs/dbraw/zinc/34/05/21/193340521.db2.gz DGOOVJMAIHZVSE-UHFFFAOYSA-N 1 0 312.211 1.857 10 0 DDAERO Cc1cc(NC(=O)C[C@H]2C[NH2+]CCO2)ncc1Br ZINC000094063638 193342456 /nfs/dbraw/zinc/34/24/56/193342456.db2.gz WOGZMIOUJFJYOD-VIFPVBQESA-N 1 0 314.183 1.470 10 0 DDAERO CC1CCC(CO)([NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094635851 193386078 /nfs/dbraw/zinc/38/60/78/193386078.db2.gz JRPWOSGGJKSLJF-GQKFXUNGSA-N 1 0 303.468 1.873 10 0 DDAERO C[NH2+][C@H]([C@@H]1CCC[C@H](S(C)(=O)=O)C1)[C@@H]1CSCCO1 ZINC000094643144 193389229 /nfs/dbraw/zinc/38/92/29/193389229.db2.gz YUGLUGWPBJQUGR-MROQNXINSA-N 1 0 307.481 1.310 10 0 DDAERO CC(C)C[C@@H](C[NH3+])C(=O)Nc1ccccc1SCC(N)=O ZINC000094697855 193391180 /nfs/dbraw/zinc/39/11/80/193391180.db2.gz AITTZPQWJGTZJE-NSHDSACASA-N 1 0 309.435 1.824 10 0 DDAERO CCC[NH2+]C[C@@H](Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000094688040 193391607 /nfs/dbraw/zinc/39/16/07/193391607.db2.gz VSWZSIABBFYGTJ-HUUCEWRRSA-N 1 0 311.447 1.985 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN([C@@H]2CCOC3(CCC3)C2)CC1 ZINC000094376077 193367312 /nfs/dbraw/zinc/36/73/12/193367312.db2.gz KEALHPFJRHRDHR-ZIAGYGMSSA-N 1 0 311.495 1.770 10 0 DDAERO CCOC(=O)C[C@@]1([NH+]2CCN(C)CC2)CCCS[C@@H]1C ZINC000094480999 193373026 /nfs/dbraw/zinc/37/30/26/193373026.db2.gz ITTIVUAMHPYVDL-HIFRSBDPSA-N 1 0 300.468 1.841 10 0 DDAERO COCC[NH2+]CCc1c(C)nc([C@H]2CSCCO2)nc1C ZINC000094505476 193374220 /nfs/dbraw/zinc/37/42/20/193374220.db2.gz LXQIFFZCAWNMSA-CQSZACIVSA-N 1 0 311.451 1.676 10 0 DDAERO [NH3+][C@H](c1cccc(OC(F)(F)F)c1)[C@H]1CN2CCN1CC2 ZINC000094508327 193375267 /nfs/dbraw/zinc/37/52/67/193375267.db2.gz IGHDETCFVTWKOD-CHWSQXEVSA-N 1 0 301.312 1.585 10 0 DDAERO COC[C@@H]([NH3+])CN(C)C(=O)c1cc(C(F)(F)F)ccc1F ZINC000094597427 193382468 /nfs/dbraw/zinc/38/24/68/193382468.db2.gz QJJWROGEYMKDIW-VIFPVBQESA-N 1 0 308.275 1.890 10 0 DDAERO C[NH2+]C[C@@H]1CCN(c2nc3c(Br)cccn3n2)C1 ZINC000094608062 193384605 /nfs/dbraw/zinc/38/46/05/193384605.db2.gz RXPBTORVHVBGHI-VIFPVBQESA-N 1 0 310.199 1.538 10 0 DDAERO Cc1cc(N(C)[C@H]2CCS(=O)(=O)C2)c([C@H](C)[NH3+])cc1F ZINC000094765853 193396524 /nfs/dbraw/zinc/39/65/24/193396524.db2.gz FMECWLUAEIMQRC-QWRGUYRKSA-N 1 0 300.399 1.777 10 0 DDAERO CCC[NH2+][C@H](C)c1cnc(N2CC(=O)NC(=O)C2(C)C)s1 ZINC000097316843 193707896 /nfs/dbraw/zinc/70/78/96/193707896.db2.gz LQEBMIZHSFXRNN-SECBINFHSA-N 1 0 310.423 1.445 10 0 DDAERO CCOC(=O)c1c(C)oc2nc(C)nc(NCC[NH+](C)C)c21 ZINC000015727371 182013846 /nfs/dbraw/zinc/01/38/46/182013846.db2.gz QPRQOUFHHVWRCA-UHFFFAOYSA-N 1 0 306.366 1.990 10 0 DDAERO CC[NH2+]C[C@@H]1COCCN1c1ncc(C)cc1Br ZINC000097847231 193764315 /nfs/dbraw/zinc/76/43/15/193764315.db2.gz PIZMDJATSUMGDI-LLVKDONJSA-N 1 0 314.227 1.967 10 0 DDAERO COc1cccc([C@@H]2NC(=[NH2+])Nc3nc(=O)c4ccccc4n32)c1 ZINC000022239229 182315100 /nfs/dbraw/zinc/31/51/00/182315100.db2.gz RWBXAJRQNNHRCN-CQSZACIVSA-N 1 0 321.340 1.692 10 0 DDAERO Cc1ccc(S(=O)(=O)N(C)C[C@H]2CC[N@H+](C)C2)c(F)c1 ZINC000104747714 248246129 /nfs/dbraw/zinc/24/61/29/248246129.db2.gz HIUKSADIXPZEML-LBPRGKRZSA-N 1 0 300.399 1.706 10 0 DDAERO CCc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](CC)C2)cc1N ZINC000040501925 183083462 /nfs/dbraw/zinc/08/34/62/183083462.db2.gz YLJPGJSYUJMFCC-ZDUSSCGKSA-N 1 0 311.451 1.594 10 0 DDAERO CO[C@@H]1C[NH2+][C@H](C(=O)N2CCc3sccc3[C@@H]2C2CC2)C1 ZINC000040634966 183112598 /nfs/dbraw/zinc/11/25/98/183112598.db2.gz VKJWBUVHHLCXST-WHOFXGATSA-N 1 0 306.431 1.961 10 0 DDAERO [NH3+]Cc1cccc(S(=O)(=O)NCCc2ccc(O)cc2)c1 ZINC000040736814 183127132 /nfs/dbraw/zinc/12/71/32/183127132.db2.gz UPXLVASTMYCJBQ-UHFFFAOYSA-N 1 0 306.387 1.372 10 0 DDAERO Cn1cc(Br)cc1C(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749726 183129078 /nfs/dbraw/zinc/12/90/78/183129078.db2.gz MTXJJKLTJKAAAS-FGWVZKOKSA-N 1 0 312.211 1.882 10 0 DDAERO Cc1nnc([C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)[nH]1 ZINC000334004339 249175432 /nfs/dbraw/zinc/17/54/32/249175432.db2.gz STSSVOHGTXFCMN-KGLIPLIRSA-N 1 0 305.426 1.692 10 0 DDAERO CCn1cnc2sc(C(=O)N3CCC[NH2+]CC3)c(C)c2c1=O ZINC000041293604 183183666 /nfs/dbraw/zinc/18/36/66/183183666.db2.gz WTSMICQSXIRBMV-UHFFFAOYSA-N 1 0 320.418 1.222 10 0 DDAERO [NH3+]CC1(N2CCC[C@H]3CCCC[C@@H]32)CCS(=O)(=O)CC1 ZINC000042332364 183255048 /nfs/dbraw/zinc/25/50/48/183255048.db2.gz DNSAWABUORCKKY-KGLIPLIRSA-N 1 0 300.468 1.547 10 0 DDAERO CC[NH2+]CCN1C(=O)C(=O)c2cc(Br)c(F)cc21 ZINC000042410631 183265622 /nfs/dbraw/zinc/26/56/22/183265622.db2.gz DYXFFSGDKCFXHT-UHFFFAOYSA-N 1 0 315.142 1.727 10 0 DDAERO CCO[C@H]1CCCN(S(=O)(=O)c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000042425645 183268394 /nfs/dbraw/zinc/26/83/94/183268394.db2.gz UEZXQDVVNRXNRT-OCCSQVGLSA-N 1 0 312.435 1.896 10 0 DDAERO [NH3+]CCc1ccc(S(=O)(=O)N2CCCSCC2)s1 ZINC000042445008 183271340 /nfs/dbraw/zinc/27/13/40/183271340.db2.gz LDQYCIRJRNDXDF-UHFFFAOYSA-N 1 0 306.478 1.377 10 0 DDAERO C[C@@H](C[NH3+])CN(C)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000042455448 183272223 /nfs/dbraw/zinc/27/22/23/183272223.db2.gz CPXVTVNWRNVJGA-VIFPVBQESA-N 1 0 310.341 1.921 10 0 DDAERO CCC(CC)[N@H+](CCO)C[C@H](O)c1ccc(C(N)=S)cc1 ZINC000042506356 183277995 /nfs/dbraw/zinc/27/79/95/183277995.db2.gz QOCQBQIXZFSBIX-HNNXBMFYSA-N 1 0 310.463 1.837 10 0 DDAERO COCCN(CC(C)C)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000042370785 183260149 /nfs/dbraw/zinc/26/01/49/183260149.db2.gz DQOACTOBKDNGTE-AWEZNQCLSA-N 1 0 306.472 1.453 10 0 DDAERO CC[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCN(CCO)CC1 ZINC000043014499 183327817 /nfs/dbraw/zinc/32/78/17/183327817.db2.gz KHVCMLXJLBCQOD-HOTGVXAUSA-N 1 0 311.857 1.728 10 0 DDAERO COc1cccc([C@H](Sc2nc(N)cc(=O)[nH]2)[C@H](C)[NH3+])c1 ZINC000043033096 183331430 /nfs/dbraw/zinc/33/14/30/183331430.db2.gz CCAVDFUAJCXYCO-ISVAXAHUSA-N 1 0 306.391 1.541 10 0 DDAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)s1)N1CCS(=O)(=O)CC1 ZINC000043240720 183345896 /nfs/dbraw/zinc/34/58/96/183345896.db2.gz WOCDQDDULLZNSF-YPMHNXCESA-N 1 0 302.465 1.565 10 0 DDAERO CCN(CC(=O)NC)[C@H](C[NH3+])c1cc(Br)cs1 ZINC000043285707 183350388 /nfs/dbraw/zinc/35/03/88/183350388.db2.gz JMGIBRSAQXNREE-SECBINFHSA-N 1 0 320.256 1.578 10 0 DDAERO O=C(Nc1cc(Cl)ccc1-n1cccn1)[C@@H]1C[NH2+]CCO1 ZINC000043709398 183382769 /nfs/dbraw/zinc/38/27/69/183382769.db2.gz XPWVIYXKDADCJX-ZDUSSCGKSA-N 1 0 306.753 1.453 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)NCCCCOC)cc1 ZINC000044677581 183431450 /nfs/dbraw/zinc/43/14/50/183431450.db2.gz WUKLHQALDIZJMP-UHFFFAOYSA-N 1 0 300.424 1.501 10 0 DDAERO O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000333253776 296279907 /nfs/dbraw/zinc/27/99/07/296279907.db2.gz HJHNALYDXUTEGL-SQWLQELKSA-N 1 0 317.437 1.997 10 0 DDAERO CCC[NH2+][C@@](C)(CCC[NH+](CCOC)CCOC)C(=O)[O-] ZINC000045424315 183506485 /nfs/dbraw/zinc/50/64/85/183506485.db2.gz FJYOPNUESJUADL-HNNXBMFYSA-N 1 0 304.431 1.204 10 0 DDAERO CC[NH+](CC)C[C@@H](C)Nc1ccc(S(=O)(=O)NC)cc1N ZINC000045688763 183524064 /nfs/dbraw/zinc/52/40/64/183524064.db2.gz YDQOVCCKGIHDKQ-LLVKDONJSA-N 1 0 314.455 1.319 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCC1CCN(C(C)=O)CC1 ZINC000105125027 194075904 /nfs/dbraw/zinc/07/59/04/194075904.db2.gz ANPKMDYLQFDDFJ-ZDUSSCGKSA-N 1 0 312.458 1.274 10 0 DDAERO O=C(NCCCNc1ccccn1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105142961 194078787 /nfs/dbraw/zinc/07/87/87/194078787.db2.gz POQJGAPNTIJCTQ-OAHLLOKOSA-N 1 0 317.437 1.763 10 0 DDAERO O[C@H](C[NH+]1CCN(CCn2cccn2)CC1)c1ccccc1 ZINC000105818999 194136149 /nfs/dbraw/zinc/13/61/49/194136149.db2.gz INJZAYRNEVTYGR-QGZVFWFLSA-N 1 0 300.406 1.234 10 0 DDAERO CCCCNC(=O)C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105802662 194132200 /nfs/dbraw/zinc/13/22/00/194132200.db2.gz KOLXRQYUZXEMNE-CQSZACIVSA-N 1 0 305.426 1.294 10 0 DDAERO CC[C@H]1CN(CC(=O)Nc2ccc(C)cc2)CC[N@@H+]1CCOC ZINC000105836012 194142276 /nfs/dbraw/zinc/14/22/76/194142276.db2.gz OUDWOFFIPGJOHL-KRWDZBQOSA-N 1 0 319.449 1.976 10 0 DDAERO Cc1nnc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)n1C1CC1 ZINC000105862737 194150659 /nfs/dbraw/zinc/15/06/59/194150659.db2.gz QWFMMIKPUGRCEO-ZDUSSCGKSA-N 1 0 321.469 1.446 10 0 DDAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)C(=O)N(C)Cc1ccccc1 ZINC000105870771 194152119 /nfs/dbraw/zinc/15/21/19/194152119.db2.gz YHDNTFZKDCNSDT-UKRRQHHQSA-N 1 0 313.405 1.230 10 0 DDAERO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000105883011 194155108 /nfs/dbraw/zinc/15/51/08/194155108.db2.gz FVHSBAVYEASMNP-HNNXBMFYSA-N 1 0 314.389 1.977 10 0 DDAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)NCCc2ccccc2C)c1 ZINC000105881682 194155434 /nfs/dbraw/zinc/15/54/34/194155434.db2.gz OOGIAFCMQUEXRE-MRXNPFEDSA-N 1 0 314.433 1.837 10 0 DDAERO FC(F)(F)COCCC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105884428 194156923 /nfs/dbraw/zinc/15/69/23/194156923.db2.gz IAOMRHPMDWRONJ-LBPRGKRZSA-N 1 0 306.332 1.959 10 0 DDAERO CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105883933 194157524 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Cc1nn(C)c(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1Br ZINC000261580019 407545484 /nfs/dbraw/zinc/54/54/84/407545484.db2.gz PWOWOQIJUXBUGY-HBNTYKKESA-N 1 0 313.243 1.660 10 0 DDAERO FC(F)(F)c1ccnc(N2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000261605725 407547564 /nfs/dbraw/zinc/54/75/64/407547564.db2.gz CWJBNWFHKYOSLR-LBPRGKRZSA-N 1 0 300.328 1.584 10 0 DDAERO [NH3+]C1(C(=O)NCc2ccccc2OC2CCC2)CCOCC1 ZINC000261744292 407598598 /nfs/dbraw/zinc/59/85/98/407598598.db2.gz DXTCMKGLAHZSSS-UHFFFAOYSA-N 1 0 304.390 1.742 10 0 DDAERO O=C(NCCc1cccc(O)c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000171125520 407602855 /nfs/dbraw/zinc/60/28/55/407602855.db2.gz WEJILPQZHWBWNN-INIZCTEOSA-N 1 0 321.421 1.081 10 0 DDAERO C[C@H](NC(=O)[C@@H]([NH3+])C1CCOCC1)c1ccc2c(c1)OCO2 ZINC000261768054 407608049 /nfs/dbraw/zinc/60/80/49/407608049.db2.gz MDMDLLSTMMMOEF-BONVTDFDSA-N 1 0 306.362 1.346 10 0 DDAERO C[C@H](NC(=O)[C@H]([NH3+])C1CCOCC1)c1ccc2c(c1)CC(=O)N2 ZINC000261770042 407609768 /nfs/dbraw/zinc/60/97/68/407609768.db2.gz MEZMTUKMOPBWIQ-MGPLVRAMSA-N 1 0 317.389 1.112 10 0 DDAERO O=C1CCCN1C[C@@H](O)C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186216082 407610710 /nfs/dbraw/zinc/61/07/10/407610710.db2.gz HNLFGEITZIIIMK-HNNXBMFYSA-N 1 0 300.402 1.517 10 0 DDAERO [NH3+]CC1(C(=O)NCc2ccccc2-n2cccn2)CCOCC1 ZINC000261832430 407631666 /nfs/dbraw/zinc/63/16/66/407631666.db2.gz IBWPXASDKXOVCP-UHFFFAOYSA-N 1 0 314.389 1.244 10 0 DDAERO CN1C(=O)CC[C@@H](C(=O)NCC[NH+](C)C)[C@@H]1c1ccccc1 ZINC000178903298 407649919 /nfs/dbraw/zinc/64/99/19/407649919.db2.gz IHSFIUCKFWBXLM-ZBFHGGJFSA-N 1 0 303.406 1.274 10 0 DDAERO C[C@H]1CN(Cc2ccccc2OCC(=O)N2CCCC2)C[C@H]1[NH3+] ZINC000261942972 407682135 /nfs/dbraw/zinc/68/21/35/407682135.db2.gz DYJOCJZUJWHAKO-GOEBONIOSA-N 1 0 317.433 1.467 10 0 DDAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC(=O)OC(C)(C)C ZINC000115462784 407684557 /nfs/dbraw/zinc/68/45/57/407684557.db2.gz XTNFEYYUIRHOHE-CQSZACIVSA-N 1 0 306.406 1.617 10 0 DDAERO COc1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1O ZINC000171638578 407729788 /nfs/dbraw/zinc/72/97/88/407729788.db2.gz MQIABUBGGDYETO-CQSZACIVSA-N 1 0 319.405 1.781 10 0 DDAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1cnc(C2CC2)nc1 ZINC000171518547 407696044 /nfs/dbraw/zinc/69/60/44/407696044.db2.gz RDCZSOLLLOJAPI-CQSZACIVSA-N 1 0 319.409 1.322 10 0 DDAERO CCOc1cc(C)nc(N2CCN(C[C@@]3(C)CC[NH2+]C3)CC2)n1 ZINC000262020788 407714712 /nfs/dbraw/zinc/71/47/12/407714712.db2.gz NEVGKYLCHFNCGU-KRWDZBQOSA-N 1 0 319.453 1.305 10 0 DDAERO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c2cccnc12 ZINC000235412162 407718947 /nfs/dbraw/zinc/71/89/47/407718947.db2.gz DFKPEMSPAIKGJU-YPMHNXCESA-N 1 0 305.403 1.511 10 0 DDAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCCC(=O)NC(N)=O ZINC000171612798 407720286 /nfs/dbraw/zinc/72/02/86/407720286.db2.gz IUIPJWFUAZGRFS-LBPRGKRZSA-N 1 0 307.398 1.149 10 0 DDAERO CN(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)Cc1ccccc1 ZINC000262048442 407723876 /nfs/dbraw/zinc/72/38/76/407723876.db2.gz ZIWQYBNBJRHJGG-GUDVDZBRSA-N 1 0 317.477 1.865 10 0 DDAERO COc1c(C)cnc(CN2CCC([N@H+](C)C[C@@H](C)O)CC2)c1C ZINC000171632153 407727545 /nfs/dbraw/zinc/72/75/45/407727545.db2.gz MOKOAHVAWITYKC-CQSZACIVSA-N 1 0 321.465 1.984 10 0 DDAERO Cc1cccc(N2CCN(C(=O)C3([NH3+])CCOCC3)CC2)c1 ZINC000262105292 407741152 /nfs/dbraw/zinc/74/11/52/407741152.db2.gz JFQPJEKQAJPMSX-UHFFFAOYSA-N 1 0 303.406 1.152 10 0 DDAERO CN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116313589 407742520 /nfs/dbraw/zinc/74/25/20/407742520.db2.gz WTCBMJGMKDJMOH-INIZCTEOSA-N 1 0 312.417 1.868 10 0 DDAERO COC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000262168701 407757102 /nfs/dbraw/zinc/75/71/02/407757102.db2.gz ANYKVZDFMVTMHV-HZMBPMFUSA-N 1 0 310.369 1.765 10 0 DDAERO CCc1nc(CCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])no1 ZINC000262178623 407760577 /nfs/dbraw/zinc/76/05/77/407760577.db2.gz BGLYYLDFZBGNJJ-QOARYFPJSA-N 1 0 306.410 1.444 10 0 DDAERO COc1cc(C)c(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1C ZINC000171771053 407763239 /nfs/dbraw/zinc/76/32/39/407763239.db2.gz WXCAYIPTEKZRCN-CQSZACIVSA-N 1 0 324.446 1.781 10 0 DDAERO O=C(Nc1cccnc1N1CCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171807094 407771457 /nfs/dbraw/zinc/77/14/57/407771457.db2.gz DRJIRTFXUGUUSQ-AWEZNQCLSA-N 1 0 315.421 1.994 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)CSCc2ccccn2)CCO1 ZINC000116789289 407776618 /nfs/dbraw/zinc/77/66/18/407776618.db2.gz QMWCBZLPZMHZLV-CQSZACIVSA-N 1 0 309.435 1.104 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(OC(F)F)cc2)CCO1 ZINC000116792503 407781268 /nfs/dbraw/zinc/78/12/68/407781268.db2.gz ZJMDINOZWFXQID-ZDUSSCGKSA-N 1 0 314.332 1.691 10 0 DDAERO CC(C)(C)OC[C@H](O)C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186824177 407778954 /nfs/dbraw/zinc/77/89/54/407778954.db2.gz MNMALDPHGZMBMD-CYBMUJFWSA-N 1 0 303.468 1.760 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)CSCc2ccncc2)CCO1 ZINC000116793285 407779009 /nfs/dbraw/zinc/77/90/09/407779009.db2.gz ZPSQPVDGZYFFRS-AWEZNQCLSA-N 1 0 309.435 1.104 10 0 DDAERO COc1ncc(Cl)c(N2CCC([N@H+](C)CCO)CC2)n1 ZINC000272155127 407795016 /nfs/dbraw/zinc/79/50/16/407795016.db2.gz DHYNGPYMOODAEC-UHFFFAOYSA-N 1 0 300.790 1.032 10 0 DDAERO CCOc1cccc(CNC(=O)[C@H]([NH3+])COC)c1OC(F)F ZINC000262300411 407787798 /nfs/dbraw/zinc/78/77/98/407787798.db2.gz NWCOFOGSFDSONI-SNVBAGLBSA-N 1 0 318.320 1.277 10 0 DDAERO CCC[C@@H](C(=O)N1CCSC2(CCOCC2)C1)[NH+](C)C ZINC000186871281 407788344 /nfs/dbraw/zinc/78/83/44/407788344.db2.gz CGAQVZPSIZMCRP-ZDUSSCGKSA-N 1 0 300.468 1.841 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000262341651 407805661 /nfs/dbraw/zinc/80/56/61/407805661.db2.gz FPTOEPFPCGAFKW-NSHDSACASA-N 1 0 313.785 1.089 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1cccc(CSCC(=O)OC)c1 ZINC000262346019 407806872 /nfs/dbraw/zinc/80/68/72/407806872.db2.gz TXNUZNYUPKKKCR-LBPRGKRZSA-N 1 0 312.391 1.005 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)NCC2(C)COC2)C[C@H]1CC ZINC000117050326 407809973 /nfs/dbraw/zinc/80/99/73/407809973.db2.gz CWXYOLGGQYQGRK-CQSZACIVSA-N 1 0 313.442 1.165 10 0 DDAERO C[C@H]1CN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)CCS1 ZINC000132913299 407811458 /nfs/dbraw/zinc/81/14/58/407811458.db2.gz GHZNQTHLXPFAHR-GOEBONIOSA-N 1 0 320.458 1.851 10 0 DDAERO CCc1nsc(N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000262367074 407814860 /nfs/dbraw/zinc/81/48/60/407814860.db2.gz XFGYSPYXIXGLAO-RYUDHWBXSA-N 1 0 323.466 1.185 10 0 DDAERO COC[C@@H]([NH3+])C(=O)NCc1ccc(Br)cc1Cl ZINC000262388079 407820477 /nfs/dbraw/zinc/82/04/77/407820477.db2.gz YOBSDYCMGUIREC-SNVBAGLBSA-N 1 0 321.602 1.692 10 0 DDAERO CC[C@H]1CN(C(=O)CCc2ccccc2O)CC[N@@H+]1CCOC ZINC000117299613 407828076 /nfs/dbraw/zinc/82/80/76/407828076.db2.gz OUYXETSURGOOAT-INIZCTEOSA-N 1 0 320.433 1.894 10 0 DDAERO CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)C2([NH3+])CCCCC2)C1 ZINC000262456683 407838857 /nfs/dbraw/zinc/83/88/57/407838857.db2.gz IAKABLKZJCHXDY-RDXCRGQUSA-N 1 0 300.468 1.844 10 0 DDAERO C[C@H](O)C1CCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000262527201 407855448 /nfs/dbraw/zinc/85/54/48/407855448.db2.gz PAPHPMOQYHOGSW-HVOFVXBASA-N 1 0 310.438 1.138 10 0 DDAERO C[NH2+]CC1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000262544569 407862296 /nfs/dbraw/zinc/86/22/96/407862296.db2.gz RNLNEEYXFRGOKE-UHFFFAOYSA-N 1 0 314.315 1.579 10 0 DDAERO [NH3+]C[C@H]1CCCN1C(=O)CCN1c2ccccc2CCC1=O ZINC000238031465 407872788 /nfs/dbraw/zinc/87/27/88/407872788.db2.gz FJVGEOZPYSKVNC-CQSZACIVSA-N 1 0 301.390 1.306 10 0 DDAERO CCCC[C@@H](C[NH3+])NC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000262607458 407880027 /nfs/dbraw/zinc/88/00/27/407880027.db2.gz SQPVUBMLUBMFCM-OCCSQVGLSA-N 1 0 306.410 1.830 10 0 DDAERO C[C@H](CC(=O)NCC[S@](=O)C(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000262617230 407882603 /nfs/dbraw/zinc/88/26/03/407882603.db2.gz DQPLRLAHQZDLFI-UVARLRKDSA-N 1 0 302.484 1.676 10 0 DDAERO Cc1cnn(CCNC(=O)N2CCC(CC[NH+](C)C)CC2)c1 ZINC000118081623 407883110 /nfs/dbraw/zinc/88/31/10/407883110.db2.gz BRBWVTCLALUJPE-UHFFFAOYSA-N 1 0 307.442 1.565 10 0 DDAERO CCc1cc(=O)n2nc(N[C@H]3C[C@H](C)[N@@H+](C4CC4)C3)sc2n1 ZINC000133497134 407851558 /nfs/dbraw/zinc/85/15/58/407851558.db2.gz UXFXBDLKUDKQLJ-ONGXEEELSA-N 1 0 319.434 1.751 10 0 DDAERO CCOCCN1CCN(C(=O)c2cnn(CC(C)C)c2)C[C@@H]1C ZINC000181019469 407945412 /nfs/dbraw/zinc/94/54/12/407945412.db2.gz XEYKECMXKQLCDU-HNNXBMFYSA-N 1 0 322.453 1.722 10 0 DDAERO CC[C@H](O)C[NH+]1CCN([C@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000174096512 407914746 /nfs/dbraw/zinc/91/47/46/407914746.db2.gz IKNXQISMGXYUFU-CVEARBPZSA-N 1 0 313.486 1.409 10 0 DDAERO CCN(Cc1ccccc1)S(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000262772423 407925598 /nfs/dbraw/zinc/92/55/98/407925598.db2.gz WGOLKKYLNPACRS-HUUCEWRRSA-N 1 0 311.451 1.470 10 0 DDAERO COCc1nc(C)c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)s1 ZINC000134727635 407929432 /nfs/dbraw/zinc/92/94/32/407929432.db2.gz HVHMDCUSAJGXCT-CMPLNLGQSA-N 1 0 309.435 1.907 10 0 DDAERO COc1cc(C)c(S(=O)(=O)NCC[C@@H](C)[NH3+])cc1Cl ZINC000262790523 407934399 /nfs/dbraw/zinc/93/43/99/407934399.db2.gz ROQODVFEXZGBJH-SECBINFHSA-N 1 0 306.815 1.673 10 0 DDAERO Brc1cnc2c(c1)nccc2NC[C@@H]1C[NH2+]CCO1 ZINC000135534104 408027469 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CC(=O)N(C)c1cccc(NC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000174947624 408015061 /nfs/dbraw/zinc/01/50/61/408015061.db2.gz HWCCKLBVSSKXTF-HNNXBMFYSA-N 1 0 320.393 1.121 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSc1nncs1 ZINC000174997096 408022288 /nfs/dbraw/zinc/02/22/88/408022288.db2.gz OLTIONURERKHCO-GHMZBOCLSA-N 1 0 312.464 1.715 10 0 DDAERO COc1ccc(OCCc2nc([C@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263208355 408059442 /nfs/dbraw/zinc/05/94/42/408059442.db2.gz JZWZOKDOUXYIES-CQSZACIVSA-N 1 0 318.377 1.276 10 0 DDAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC000189587736 408060969 /nfs/dbraw/zinc/06/09/69/408060969.db2.gz IBWMYDYUGDDTFM-LLVKDONJSA-N 1 0 320.817 1.945 10 0 DDAERO O[C@H]1C[NH2+]C[C@H]1CNCc1ccc(F)c(Br)c1 ZINC000263217336 408061778 /nfs/dbraw/zinc/06/17/78/408061778.db2.gz LBPDIQYKEQIKEV-SKDRFNHKSA-N 1 0 303.175 1.258 10 0 DDAERO CN(C)C(=O)c1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)[nH]1 ZINC000245764054 408065465 /nfs/dbraw/zinc/06/54/65/408065465.db2.gz 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DDAERO COc1ccccc1S(=O)(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246815478 408347054 /nfs/dbraw/zinc/34/70/54/408347054.db2.gz BZIHEKVFWZNNNB-CHWSQXEVSA-N 1 0 312.435 1.702 10 0 DDAERO COc1ccccc1OCC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246815413 408348389 /nfs/dbraw/zinc/34/83/89/408348389.db2.gz DJAXCTYCYJCAKD-ZIAGYGMSSA-N 1 0 306.406 1.919 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000246835832 408350807 /nfs/dbraw/zinc/35/08/07/408350807.db2.gz DDGCZTGZRHSJLU-MCIONIFRSA-N 1 0 303.472 1.281 10 0 DDAERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)N[C@@H]1CCOc2ccccc21 ZINC000171637985 162231391 /nfs/dbraw/zinc/23/13/91/162231391.db2.gz CORNXRHQGFIQIA-GDBMZVCRSA-N 1 0 315.417 1.406 10 0 DDAERO O=C(CCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)NC1CCCCC1 ZINC000171903550 162246171 /nfs/dbraw/zinc/24/61/71/162246171.db2.gz VOUCHXPWBUPVFY-HNNXBMFYSA-N 1 0 322.453 1.315 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)NCCOCc2ccccc2)CCO1 ZINC000176439225 408367807 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COCCN(C)c1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)cn1 ZINC000191176437 408381808 /nfs/dbraw/zinc/38/18/08/408381808.db2.gz NVNZZLSXRSWYNH-HOTGVXAUSA-N 1 0 307.438 1.805 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1cccs1 ZINC000247038900 408393829 /nfs/dbraw/zinc/39/38/29/408393829.db2.gz VELRIOSSLHTJNJ-STQMWFEESA-N 1 0 321.446 1.563 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CN(C)C(=O)c1cccs1 ZINC000247069493 408400613 /nfs/dbraw/zinc/40/06/13/408400613.db2.gz HMGGNQSGUVZXLW-OLZOCXBDSA-N 1 0 321.446 1.515 10 0 DDAERO CCOCC[N@@H+]1CCN([C@H](C)C(=O)N[C@@H](C)CC)C[C@@H]1CC ZINC000247109187 408408240 /nfs/dbraw/zinc/40/82/40/408408240.db2.gz IWXHASWNLNSWCD-XHSDSOJGSA-N 1 0 313.486 1.722 10 0 DDAERO Cc1ccc(CNC(=O)[C@@H](C)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000247207127 408426006 /nfs/dbraw/zinc/42/60/06/408426006.db2.gz PLRYKRMZWUOGMO-WBVHZDCISA-N 1 0 319.449 1.262 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)nc1 ZINC000247234546 408432728 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Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000247565308 408492608 /nfs/dbraw/zinc/49/26/08/408492608.db2.gz VPIRZZJXBSUFPW-WBVHZDCISA-N 1 0 315.417 1.958 10 0 DDAERO C[C@H](C(=O)N1CC[C@H](c2cnn(C)c2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247583309 408495177 /nfs/dbraw/zinc/49/51/77/408495177.db2.gz YZAVZDGHCYZYRQ-BARDWOONSA-N 1 0 304.438 1.997 10 0 DDAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)C2=Cc3ccccc3OC2)C1 ZINC000191928711 408510705 /nfs/dbraw/zinc/51/07/05/408510705.db2.gz GHTGTIUVGOLDMR-CYBMUJFWSA-N 1 0 308.403 1.386 10 0 DDAERO Cc1ccccc1CCNC(=O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248367875 408552732 /nfs/dbraw/zinc/55/27/32/408552732.db2.gz UOHRPSKKJVVKDE-SFHVURJKSA-N 1 0 315.461 1.824 10 0 DDAERO CC[C@H]1CN(C(=O)NCc2ncccc2C)CC[N@@H+]1C[C@H](C)O ZINC000248493273 408575702 /nfs/dbraw/zinc/57/57/02/408575702.db2.gz PBFURMHADYXNRC-GJZGRUSLSA-N 1 0 320.437 1.377 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(C(=O)NC2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC000248620615 408599743 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COCC[N@@H+]1CCN(C[C@H](O)c2ccc(F)c(F)c2)C[C@H]1C ZINC000105833840 696625202 /nfs/dbraw/zinc/62/52/02/696625202.db2.gz DQDWDBQWGRQKPC-WBMJQRKESA-N 1 0 314.376 1.651 10 0 DDAERO CC[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)C1 ZINC000119343544 696679725 /nfs/dbraw/zinc/67/97/25/696679725.db2.gz RVMJFDCQFHOPHD-CVEARBPZSA-N 1 0 319.453 1.823 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000174091586 697383979 /nfs/dbraw/zinc/38/39/79/697383979.db2.gz OTEVHZCQUCIGSP-CJNGLKHVSA-N 1 0 314.376 1.387 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cn1ncc2ccccc2c1=O ZINC000177161857 697410003 /nfs/dbraw/zinc/41/00/03/697410003.db2.gz NSRPJEOCSTTYMN-OAHLLOKOSA-N 1 0 300.406 1.770 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cn1ncc(Cl)c(Cl)c1=O ZINC000177164905 697410179 /nfs/dbraw/zinc/41/01/79/697410179.db2.gz OZJCCRCFSWEYSQ-SNVBAGLBSA-N 1 0 319.236 1.924 10 0 DDAERO COC(=O)C1CCC(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000180330697 697447702 /nfs/dbraw/zinc/44/77/02/697447702.db2.gz VKWBWLSFOUHGPK-PFSRBDOWSA-N 1 0 310.438 1.955 10 0 DDAERO CNC(=O)[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000185531983 697519746 /nfs/dbraw/zinc/51/97/46/697519746.db2.gz RBPJGRUCAPFGQM-QWHCGFSZSA-N 1 0 313.442 1.746 10 0 DDAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)NCC1=CC[NH2+]CC1 ZINC000186325258 697531850 /nfs/dbraw/zinc/53/18/50/697531850.db2.gz SELFCOOMPWIIFK-LBPRGKRZSA-N 1 0 302.378 1.233 10 0 DDAERO C[C@@H]([NH2+]CC(=O)N1CCO[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000192482003 697630336 /nfs/dbraw/zinc/63/03/36/697630336.db2.gz PALRXXQFJUIAJC-CHWSQXEVSA-N 1 0 320.389 1.356 10 0 DDAERO C[C@H]([NH2+]CC(=O)N1CCO[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000192481987 697630402 /nfs/dbraw/zinc/63/04/02/697630402.db2.gz PALRXXQFJUIAJC-OLZOCXBDSA-N 1 0 320.389 1.356 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccc(COC)cc1 ZINC000192920397 697644383 /nfs/dbraw/zinc/64/43/83/697644383.db2.gz SBVDBCAZQPBGNK-ZDUSSCGKSA-N 1 0 321.421 1.618 10 0 DDAERO COc1c(CNC/C=C/CNC(=O)OC(C)(C)C)c(C)nn1C ZINC000227759892 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302.422 1.066 10 0 DDAERO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000083710865 282098826 /nfs/dbraw/zinc/09/88/26/282098826.db2.gz VHNGGKYLTZBMAN-KBPBESRZSA-N 1 0 322.457 1.697 10 0 DDAERO CCn1c(=O)[nH]nc1S[C@@H]1COc2ccccc2[C@@H]1[NH2+]C ZINC000081879862 192334734 /nfs/dbraw/zinc/33/47/34/192334734.db2.gz CRISMBBBROVBEJ-NEPJUHHUSA-N 1 0 306.391 1.405 10 0 DDAERO [NH3+][C@H](CS(=O)(=O)c1cccs1)c1ccc2c(c1)OCO2 ZINC000081926457 192339466 /nfs/dbraw/zinc/33/94/66/192339466.db2.gz NIQJLBJRZMLCNE-SNVBAGLBSA-N 1 0 311.384 1.951 10 0 DDAERO CN(C)[C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000116787412 282124664 /nfs/dbraw/zinc/12/46/64/282124664.db2.gz QBCQFWYEVOMQKG-HZPDHXFCSA-N 1 0 305.422 1.078 10 0 DDAERO CCC[NH2+][C@H]1CCOC[C@H]1S(=O)(=O)c1ccc(F)cc1F ZINC000081932765 192341775 /nfs/dbraw/zinc/34/17/75/192341775.db2.gz UGQXCYLZPKMCIE-GXTWGEPZSA-N 1 0 319.373 1.896 10 0 DDAERO CC[NH2+][C@H]1CCC2(C[C@@H]1S(=O)(=O)[C@@H](C)CC)OCCO2 ZINC000081937175 192342852 /nfs/dbraw/zinc/34/28/52/192342852.db2.gz RCRBTTNMEOPYQZ-AVGNSLFASA-N 1 0 305.440 1.473 10 0 DDAERO CC(C)(C)[C@@H]([NH3+])CS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000081936183 192343361 /nfs/dbraw/zinc/34/33/61/192343361.db2.gz JEWJNDBCFRYZTJ-AWEZNQCLSA-N 1 0 313.419 1.995 10 0 DDAERO CCC[C@@H](CC[NH3+])CCC(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000079242601 185162353 /nfs/dbraw/zinc/16/23/53/185162353.db2.gz VYEWUODPNLYHTP-CHWSQXEVSA-N 1 0 304.456 1.225 10 0 DDAERO C[C@@]1(C(=O)N2CCCN(Cc3cccs3)CC2)CCC[NH2+]1 ZINC000079517366 185173729 /nfs/dbraw/zinc/17/37/29/185173729.db2.gz STASFHQOGKVDAM-INIZCTEOSA-N 1 0 307.463 1.925 10 0 DDAERO C[NH+]1CCC(N2CCN(C(=O)CCc3ccccc3)CC2)CC1 ZINC000082348107 185176768 /nfs/dbraw/zinc/17/67/68/185176768.db2.gz AGZRSNRDQUIVHO-UHFFFAOYSA-N 1 0 315.461 1.858 10 0 DDAERO CC[NH2+][C@H](CS(=O)(=O)CCOC)c1ccc(OC)cc1 ZINC000081945162 192345774 /nfs/dbraw/zinc/34/57/74/192345774.db2.gz VEUCTEDBESMRSQ-CQSZACIVSA-N 1 0 301.408 1.407 10 0 DDAERO O[C@H]1C[NH2+]C[C@@H]1Oc1ccc(I)cc1 ZINC000082524971 185190704 /nfs/dbraw/zinc/19/07/04/185190704.db2.gz RCMIJEOTVXEHHB-UWVGGRQHSA-N 1 0 305.115 1.003 10 0 DDAERO CCn1cnnc1C1CC[NH+]([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000328645453 231281296 /nfs/dbraw/zinc/28/12/96/231281296.db2.gz GWZFYADHIKRKFJ-AWEZNQCLSA-N 1 0 303.410 1.241 10 0 DDAERO O=C(C[C@H]1CCCCC(=O)N1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328686431 231306080 /nfs/dbraw/zinc/30/60/80/231306080.db2.gz YFKCRWXZYBPYIQ-LSDHHAIUSA-N 1 0 323.437 1.456 10 0 DDAERO CC(C)([C@H](O)[C@@H](C[NH3+])c1cc(F)cc(F)c1)S(C)(=O)=O ZINC000087382538 185223163 /nfs/dbraw/zinc/22/31/63/185223163.db2.gz GSJRIYVMBPFYHI-NWDGAFQWSA-N 1 0 307.362 1.191 10 0 DDAERO CCn1cc(Br)cc1C(=O)N[C@@H](C[NH3+])C(C)C ZINC000087403075 185223578 /nfs/dbraw/zinc/22/35/78/185223578.db2.gz BPTLVXPMXHMAIV-JTQLQIEISA-N 1 0 302.216 1.984 10 0 DDAERO COc1ccc([C@@H](C[NH3+])NCC(F)(F)F)c(OC)c1OC ZINC000087929676 185237591 /nfs/dbraw/zinc/23/75/91/185237591.db2.gz AZIJJYBLWLATFN-SECBINFHSA-N 1 0 308.300 1.864 10 0 DDAERO COCCC[C@@H]([NH3+])C(=O)Nc1ncc(Br)s1 ZINC000088003134 185238127 /nfs/dbraw/zinc/23/81/27/185238127.db2.gz VHXLSKLNLURVNQ-ZCFIWIBFSA-N 1 0 308.201 1.598 10 0 DDAERO NNc1nc(NCCc2ccncc2)c(Br)c[nH+]1 ZINC000087854859 185233584 /nfs/dbraw/zinc/23/35/84/185233584.db2.gz MOJNDQMBEHMTTB-UHFFFAOYSA-N 1 0 309.171 1.574 10 0 DDAERO [NH3+][C@@H](Cc1ccc(F)cc1Br)[C@H]1COCCO1 ZINC000087857253 185233664 /nfs/dbraw/zinc/23/36/64/185233664.db2.gz YAARUYVQTZDNRR-NWDGAFQWSA-N 1 0 304.159 1.873 10 0 DDAERO CCN(c1nc(NN)[nH+]cc1Br)[C@H](C)COC ZINC000087867109 185233975 /nfs/dbraw/zinc/23/39/75/185233975.db2.gz KMFWOLZHZFAOLL-SSDOTTSWSA-N 1 0 304.192 1.386 10 0 DDAERO NNc1nc(NC2(CO)CCCC2)c(Br)c[nH+]1 ZINC000087869663 185234067 /nfs/dbraw/zinc/23/40/67/185234067.db2.gz XSHYVLWFQFLLHG-UHFFFAOYSA-N 1 0 302.176 1.242 10 0 DDAERO CCCc1cc(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)[nH]n1 ZINC000177444065 539230474 /nfs/dbraw/zinc/23/04/74/539230474.db2.gz PTUKBXVZOZGRDQ-ZDUSSCGKSA-N 1 0 322.453 1.527 10 0 DDAERO CN(C)S(=O)(=O)c1ccc(-c2c[nH]c(C3([NH3+])CC3)n2)cc1 ZINC000088131223 185240274 /nfs/dbraw/zinc/24/02/74/185240274.db2.gz LPJDWAXOGDYKCI-UHFFFAOYSA-N 1 0 306.391 1.275 10 0 DDAERO CCCCS(=O)(=O)[C@@H]1CC2(CC[C@H]1[NH2+]CC)OCCO2 ZINC000081973599 192348519 /nfs/dbraw/zinc/34/85/19/192348519.db2.gz VVQAMMONDLPJEN-CHWSQXEVSA-N 1 0 305.440 1.475 10 0 DDAERO CC[NH2+][C@H]1c2ccccc2C[C@H]1S(=O)(=O)CCC(=O)OC ZINC000081975395 192348639 /nfs/dbraw/zinc/34/86/39/192348639.db2.gz GNISECVODCNOTB-HIFRSBDPSA-N 1 0 311.403 1.240 10 0 DDAERO CC[C@@H](C[NH3+])S(=O)(=O)N1CCN(c2cccc(C)c2)CC1 ZINC000088471869 185252001 /nfs/dbraw/zinc/25/20/01/185252001.db2.gz HNPKEVPNBNGTTG-HNNXBMFYSA-N 1 0 311.451 1.184 10 0 DDAERO C[C@@](CC[N@@H+]1CCC[C@H](C(F)(F)F)C1)(NC1CC1)C(N)=O ZINC000088435098 185249892 /nfs/dbraw/zinc/24/98/92/185249892.db2.gz FHXWLGQVZXAUKJ-GWCFXTLKSA-N 1 0 307.360 1.647 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCCO[C@@H](C)C2)o1 ZINC000088544552 185256991 /nfs/dbraw/zinc/25/69/91/185256991.db2.gz JUCIFRDWKAZDNT-NSHDSACASA-N 1 0 302.396 1.189 10 0 DDAERO C[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(C[NH3+])o1 ZINC000088550686 185257327 /nfs/dbraw/zinc/25/73/27/185257327.db2.gz AKPGNDQYAYNLGF-JTQLQIEISA-N 1 0 312.366 1.787 10 0 DDAERO CC[NH+](CC)CCCNCc1ccc(S(=O)(=O)N(C)C)o1 ZINC000088539812 185255284 /nfs/dbraw/zinc/25/52/84/185255284.db2.gz XNJYMMJEHVOSNA-UHFFFAOYSA-N 1 0 317.455 1.351 10 0 DDAERO CNS(=O)(=O)c1ccc(CNc2c[nH+]ccc2N(C)C)o1 ZINC000088540153 185255920 /nfs/dbraw/zinc/25/59/20/185255920.db2.gz WDFIZWFUWWGLMH-UHFFFAOYSA-N 1 0 310.379 1.261 10 0 DDAERO COC[C@H](C)N(C)S(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000088544137 185256732 /nfs/dbraw/zinc/25/67/32/185256732.db2.gz WAERKVBHTBSMSY-LBPRGKRZSA-N 1 0 318.439 1.681 10 0 DDAERO COC[C@@H]1CCN(S(=O)(=O)c2ccc(C[NH2+]C(C)C)o2)C1 ZINC000088551394 185257514 /nfs/dbraw/zinc/25/75/14/185257514.db2.gz HWFPHEIWCVMSHC-GFCCVEGCSA-N 1 0 316.423 1.435 10 0 DDAERO Cc1nn(C)c2sc(C(=O)N[C@H]3CCCC[C@H]3[NH3+])c(N)c12 ZINC000088641336 185260943 /nfs/dbraw/zinc/26/09/43/185260943.db2.gz IGWMNXVHPMXQJI-BDAKNGLRSA-N 1 0 307.423 1.525 10 0 DDAERO CCOCC[N@@H+]1CCN(CCO[C@@H]2CCCCO2)C[C@H]1C ZINC000253355132 282215320 /nfs/dbraw/zinc/21/53/20/282215320.db2.gz LKFABCYBTZSWMC-HZPDHXFCSA-N 1 0 300.443 1.572 10 0 DDAERO CC(C)(C)[C@H]([NH3+])CS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000081990769 192351118 /nfs/dbraw/zinc/35/11/18/192351118.db2.gz GVQXZKSZARNINQ-GFCCVEGCSA-N 1 0 319.448 1.237 10 0 DDAERO C[NH2+][C@H](C[S@@](=O)CCS(C)(=O)=O)c1ccc(C)cc1C ZINC000081992080 192352390 /nfs/dbraw/zinc/35/23/90/192352390.db2.gz NDAAJVVIKYSAKV-AUUYWEPGSA-N 1 0 317.476 1.357 10 0 DDAERO CCOC(=O)CS(=O)(=O)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH2+]C ZINC000082010006 192352958 /nfs/dbraw/zinc/35/29/58/192352958.db2.gz MAFRROCPZAWLKY-RWMBFGLXSA-N 1 0 319.467 1.767 10 0 DDAERO C[C@](O)(CO)C[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000090288503 185289561 /nfs/dbraw/zinc/28/95/61/185289561.db2.gz PCFBSOIHJPXMJW-GFCCVEGCSA-N 1 0 307.177 1.265 10 0 DDAERO Clc1ccc2nc(CN3CCN(C4C[NH2+]C4)CC3)cn2c1 ZINC000090307463 185290219 /nfs/dbraw/zinc/29/02/19/185290219.db2.gz UMBBIVVZZYVXIV-UHFFFAOYSA-N 1 0 305.813 1.077 10 0 DDAERO CCc1cc2c(ncnc2N2CC(N3CC[NH2+]CC3)C2)s1 ZINC000090309766 185290459 /nfs/dbraw/zinc/29/04/59/185290459.db2.gz RHEFRLOQGBIGPR-UHFFFAOYSA-N 1 0 303.435 1.348 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1c(F)cccc1F ZINC000090331873 185291543 /nfs/dbraw/zinc/29/15/43/185291543.db2.gz GQJGPBBNHSXICB-GIPNMCIBSA-N 1 0 316.373 1.583 10 0 DDAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000090489352 185298798 /nfs/dbraw/zinc/29/87/98/185298798.db2.gz SPKMHPCKNGNTQU-ZYHUDNBSSA-N 1 0 311.769 1.002 10 0 DDAERO Cc1cc(Br)cc(C)c1NC(=O)[C@@H]1COC[C@@H]1[NH3+] ZINC000090379076 185293584 /nfs/dbraw/zinc/29/35/84/185293584.db2.gz AJDBLXZPGWIOKJ-MNOVXSKESA-N 1 0 313.195 1.978 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000090434560 185296241 /nfs/dbraw/zinc/29/62/41/185296241.db2.gz HDEZUZBYYLHSCH-ZIAGYGMSSA-N 1 0 312.797 1.412 10 0 DDAERO CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1COC[C@H]1[NH2+]C ZINC000090434615 185296369 /nfs/dbraw/zinc/29/63/69/185296369.db2.gz GHYBQBRHRJWWOB-WDEREUQCSA-N 1 0 302.827 1.984 10 0 DDAERO C[C@@]1(C(=O)Nc2ccc(OC(F)(F)F)cc2)COC[C@@H]1[NH3+] ZINC000090580646 185304931 /nfs/dbraw/zinc/30/49/31/185304931.db2.gz ZYQQJYBOEXLHOF-CMPLNLGQSA-N 1 0 304.268 1.888 10 0 DDAERO COC(=O)c1c(C)c(C)sc1NC(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090599332 185305898 /nfs/dbraw/zinc/30/58/98/185305898.db2.gz UAQMBWHJNBDZFS-LKFCYVNXSA-N 1 0 312.391 1.454 10 0 DDAERO C[NH+](C)C[C@@H]1CSCCCN1S(=O)(=O)c1ccccc1 ZINC000090700280 185310591 /nfs/dbraw/zinc/31/05/91/185310591.db2.gz YJSLZXBTYSIAKI-CYBMUJFWSA-N 1 0 314.476 1.744 10 0 DDAERO COCCNC(=O)N1CCCSC[C@H]1C[NH+]1CCCCC1 ZINC000090701797 185310639 /nfs/dbraw/zinc/31/06/39/185310639.db2.gz VNYXISJBUVULBA-CQSZACIVSA-N 1 0 315.483 1.636 10 0 DDAERO CN(CCC[NH+](C)C)c1ncncc1I ZINC000090782354 185311788 /nfs/dbraw/zinc/31/17/88/185311788.db2.gz XVLRIHISYHVQNC-UHFFFAOYSA-N 1 0 320.178 1.469 10 0 DDAERO COCCCS(=O)(=O)[C@@H]1CCc2ccc(OC)cc2[C@H]1[NH3+] ZINC000092388724 185315169 /nfs/dbraw/zinc/31/51/69/185315169.db2.gz OGODUDMNASTJDS-HUUCEWRRSA-N 1 0 313.419 1.461 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1nc(NN)ccc1Cl ZINC000092675331 185332813 /nfs/dbraw/zinc/33/28/13/185332813.db2.gz AQKOGAQBHMPZSS-SNVBAGLBSA-N 1 0 311.817 1.577 10 0 DDAERO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cnc(N)c(Cl)c1 ZINC000092671198 185332867 /nfs/dbraw/zinc/33/28/67/185332867.db2.gz SWMAUDZKAWIEGV-VIFPVBQESA-N 1 0 318.830 1.032 10 0 DDAERO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(F)c(N)c1 ZINC000092621837 185330080 /nfs/dbraw/zinc/33/00/80/185330080.db2.gz HMNFYQVJSSBTMK-SNVBAGLBSA-N 1 0 301.387 1.123 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccnc(Cl)c1 ZINC000092627833 185330306 /nfs/dbraw/zinc/33/03/06/185330306.db2.gz BBIQWOUDRSCMAT-NSHDSACASA-N 1 0 317.842 1.840 10 0 DDAERO CCn1cnc(S(=O)(=O)N2CCCC[C@@H]2CC[NH2+]C)c1 ZINC000092910602 185348569 /nfs/dbraw/zinc/34/85/69/185348569.db2.gz IYGRGTJBMGFCAR-GFCCVEGCSA-N 1 0 300.428 1.056 10 0 DDAERO CCc1nc2n(n1)CCC[C@@H]2NC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000262639740 282292864 /nfs/dbraw/zinc/29/28/64/282292864.db2.gz JUYQTTODESSYSJ-RDBSUJKOSA-N 1 0 319.453 1.817 10 0 DDAERO CNC(=O)C[NH+]1CCC(CN(C)c2ncncc2Cl)CC1 ZINC000302680497 529861533 /nfs/dbraw/zinc/86/15/33/529861533.db2.gz WOXRYHQJEANLSR-UHFFFAOYSA-N 1 0 311.817 1.024 10 0 DDAERO CCCO[C@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000111245772 185563586 /nfs/dbraw/zinc/56/35/86/185563586.db2.gz WMZGMZIKYOBJDO-AAEUAGOBSA-N 1 0 308.344 1.946 10 0 DDAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000111264460 185568138 /nfs/dbraw/zinc/56/81/38/185568138.db2.gz WXDWEGHNNHFOSA-GXSJLCMTSA-N 1 0 309.797 1.836 10 0 DDAERO [NH3+]Cc1cccc(CS(=O)(=O)NCCOC2CCCC2)c1 ZINC000111639195 185619959 /nfs/dbraw/zinc/61/99/59/185619959.db2.gz MCOVUEBDXRHETM-UHFFFAOYSA-N 1 0 312.435 1.524 10 0 DDAERO C[NH2+][C@@H](C)[C@@H]1CCCCN1S(=O)(=O)CCc1ccccn1 ZINC000111715206 185629626 /nfs/dbraw/zinc/62/96/26/185629626.db2.gz ZQNRANBAZUFTRC-ZFWWWQNUSA-N 1 0 311.451 1.416 10 0 DDAERO CNS(=O)(=O)c1ccccc1N1CCC[C@@H]([C@H](C)[NH2+]C)C1 ZINC000111716998 185630512 /nfs/dbraw/zinc/63/05/12/185630512.db2.gz SWMUKWALYOCJHP-QWHCGFSZSA-N 1 0 311.451 1.419 10 0 DDAERO CCC[C@@H](C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1)[NH+](C)C ZINC000161624195 290786961 /nfs/dbraw/zinc/78/69/61/290786961.db2.gz KZBNBTPHKYFNGI-CABCVRRESA-N 1 0 309.454 1.482 10 0 DDAERO [NH3+]CC[C@H]1CCC[C@@H](C(F)(F)F)N1S(=O)(=O)C1CC1 ZINC000675074049 539562947 /nfs/dbraw/zinc/56/29/47/539562947.db2.gz WTUWYMCJTOFKIF-SCZZXKLOSA-N 1 0 300.346 1.613 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000123591802 185823163 /nfs/dbraw/zinc/82/31/63/185823163.db2.gz ZYPYJAOLLYSACD-MRXNPFEDSA-N 1 0 315.421 1.360 10 0 DDAERO CCCCS(=O)(=O)N1CCC[C@H]([C@]23CC[C@@H]2CC[NH2+]3)C1 ZINC000725263627 539570485 /nfs/dbraw/zinc/57/04/85/539570485.db2.gz XCLSREVBQVGPIW-ILXRZTDVSA-N 1 0 300.468 1.970 10 0 DDAERO COCC1CCN(S(=O)(=O)CCC2CC[NH2+]CC2)CC1 ZINC000070084543 190856893 /nfs/dbraw/zinc/85/68/93/190856893.db2.gz IWFFIHQCFYOEBQ-UHFFFAOYSA-N 1 0 304.456 1.064 10 0 DDAERO CC[C@@H]1C[C@@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)CCO1 ZINC000070360214 190882986 /nfs/dbraw/zinc/88/29/86/190882986.db2.gz LDEXGAWMCZEIET-UONOGXRCSA-N 1 0 312.435 1.424 10 0 DDAERO CCS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000070574845 190906649 /nfs/dbraw/zinc/90/66/49/190906649.db2.gz CXNJHWFTWRQZNB-NEPJUHHUSA-N 1 0 310.419 1.936 10 0 DDAERO CC(C)C[NH2+]CCC[S@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084056341 192398094 /nfs/dbraw/zinc/39/80/94/192398094.db2.gz SQOQGTIYPRXUKV-LJQANCHMSA-N 1 0 317.476 1.833 10 0 DDAERO [NH3+]C[C@@H]1c2cc(Cl)ccc2CN1CCCN1CCOCC1 ZINC000071683210 191007785 /nfs/dbraw/zinc/00/77/85/191007785.db2.gz WPFUQYUMIGMKTA-MRXNPFEDSA-N 1 0 309.841 1.878 10 0 DDAERO 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[NH3+]C[C@@H]1CCCCN1S(=O)(=O)NCC(C1CC1)C1CC1 ZINC000089050386 192720651 /nfs/dbraw/zinc/72/06/51/192720651.db2.gz DZTKXLIUTLTMCA-ZDUSSCGKSA-N 1 0 301.456 1.070 10 0 DDAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccnc(OCC(F)F)c3)C[C@@H]12 ZINC000186885266 200026638 /nfs/dbraw/zinc/02/66/38/200026638.db2.gz HQGVOJINMHJQAM-QJPTWQEYSA-N 1 0 311.332 1.535 10 0 DDAERO CSC[C@H](O)C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000187793320 200157282 /nfs/dbraw/zinc/15/72/82/200157282.db2.gz WZLMQBNUIHJPMK-ZYHUDNBSSA-N 1 0 303.449 1.465 10 0 DDAERO C[C@H]1OCCC[C@H]1C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000191540150 291197946 /nfs/dbraw/zinc/19/79/46/291197946.db2.gz LVPJGIUMLNOIEH-NVXWUHKLSA-N 1 0 323.481 1.288 10 0 DDAERO Cc1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1NS(C)(=O)=O ZINC000237649754 202316886 /nfs/dbraw/zinc/31/68/86/202316886.db2.gz FTGOTFLFTGTLDA-WDEREUQCSA-N 1 0 311.407 1.432 10 0 DDAERO O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[NH2+]CCO1 ZINC000237840231 202367194 /nfs/dbraw/zinc/36/71/94/202367194.db2.gz 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193062431 /nfs/dbraw/zinc/06/24/31/193062431.db2.gz RWIBAMCYSCCFAA-UHFFFAOYSA-N 1 0 323.340 1.576 10 0 DDAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)[C@@](C)(CC)N1CCOCC1 ZINC000091612972 193079738 /nfs/dbraw/zinc/07/97/38/193079738.db2.gz MEEDOLVSLYFYIQ-LSDHHAIUSA-N 1 0 320.499 1.290 10 0 DDAERO C[NH2+]C1CCC(N(C)S(=O)(=O)N2CCCC[C@@H]2C)CC1 ZINC000091869984 193121177 /nfs/dbraw/zinc/12/11/77/193121177.db2.gz XYRDSFXJFVKLPP-HSBZDZAISA-N 1 0 303.472 1.568 10 0 DDAERO Cc1ccc(O[C@@H]2CCS(=O)(=O)C2)c(C[NH2+]C(C)(C)C)n1 ZINC000091996029 193138874 /nfs/dbraw/zinc/13/88/74/193138874.db2.gz CBHXFDXAONKRJK-GFCCVEGCSA-N 1 0 312.435 1.844 10 0 DDAERO CCC[NH2+]CC1CCN(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)CC1 ZINC000092113642 193161180 /nfs/dbraw/zinc/16/11/80/193161180.db2.gz AQZMJURSGZXGCG-ZIAGYGMSSA-N 1 0 317.499 1.531 10 0 DDAERO C[NH2+]Cc1cc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)ccc1F ZINC000092113775 193161299 /nfs/dbraw/zinc/16/12/99/193161299.db2.gz RRHQLSCMGNXDGW-PHIMTYICSA-N 1 0 300.399 1.822 10 0 DDAERO 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COc1ccc(S(=O)(=O)N2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1F ZINC000040749869 183128998 /nfs/dbraw/zinc/12/89/98/183128998.db2.gz GHFVZVCHBDNOAX-FGWVZKOKSA-N 1 0 314.382 1.477 10 0 DDAERO CCCS(=O)(=O)N1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000041092875 183164702 /nfs/dbraw/zinc/16/47/02/183164702.db2.gz IKSSJEYUGPAMAS-GZBFAFLISA-N 1 0 300.468 1.969 10 0 DDAERO Cc1oc(-c2cccnc2)nc1CC(=O)NCCC[NH+](C)C ZINC000041449665 183191805 /nfs/dbraw/zinc/19/18/05/183191805.db2.gz UYMMOLROLMJFTH-UHFFFAOYSA-N 1 0 302.378 1.655 10 0 DDAERO OC[C@@H](c1cc(Br)cs1)N1CCC[NH2+]CC1 ZINC000041678650 183216420 /nfs/dbraw/zinc/21/64/20/183216420.db2.gz XDMWXVOUXBSUQO-JTQLQIEISA-N 1 0 305.241 1.839 10 0 DDAERO O=C(C[C@H]1CCC[NH2+]1)Nc1ccccc1S(=O)(=O)C(F)F ZINC000042167671 183238181 /nfs/dbraw/zinc/23/81/81/183238181.db2.gz FRBPNUSLFGBYDG-SECBINFHSA-N 1 0 318.345 1.764 10 0 DDAERO C[NH2+]Cc1c(N(CCCOC)CCOC)nc2sccn12 ZINC000042424053 183268398 /nfs/dbraw/zinc/26/83/98/183268398.db2.gz YVTJPKBRDADGHY-UHFFFAOYSA-N 1 0 312.439 1.605 10 0 DDAERO CCO[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH3+])s2)C1 ZINC000042425732 183268825 /nfs/dbraw/zinc/26/88/25/183268825.db2.gz SSIREZFOZVYDHM-SNVBAGLBSA-N 1 0 304.437 1.396 10 0 DDAERO CC(C)[N@H+](CCO)CCC(=O)Nc1cccc(C(N)=S)c1 ZINC000042479368 183275380 /nfs/dbraw/zinc/27/53/80/183275380.db2.gz OLMRBCMHCJKWSX-UHFFFAOYSA-N 1 0 309.435 1.352 10 0 DDAERO CCN(CC(=O)NC)c1cc(Br)ccc1C[NH3+] ZINC000042516484 183279550 /nfs/dbraw/zinc/27/95/50/183279550.db2.gz RYANWDULBNXXLX-UHFFFAOYSA-N 1 0 300.200 1.480 10 0 DDAERO CN1CC[C@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)C1 ZINC000042547533 183282688 /nfs/dbraw/zinc/28/26/88/183282688.db2.gz IKXJUHBBZQMADH-LBPRGKRZSA-N 1 0 312.211 1.681 10 0 DDAERO CC[C@@H](C)N(CCOC)S(=O)(=O)Cc1ccccc1C[NH3+] ZINC000042589100 183288698 /nfs/dbraw/zinc/28/86/98/183288698.db2.gz IFXUMXSAOZBZCI-CYBMUJFWSA-N 1 0 314.451 1.722 10 0 DDAERO COCC[N@H+](CCC(=O)N(C)CCC(N)=S)[C@H](C)C1CC1 ZINC000042679806 183295355 /nfs/dbraw/zinc/29/53/55/183295355.db2.gz RRGGYEFNMDDSAT-GFCCVEGCSA-N 1 0 315.483 1.258 10 0 DDAERO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(NN)cc2)CC1 ZINC000042689739 183295984 /nfs/dbraw/zinc/29/59/84/183295984.db2.gz XSCXNODMXGYLDJ-UHFFFAOYSA-N 1 0 312.439 1.077 10 0 DDAERO COCCN([C@@H](C)C1CC1)S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000042680570 183296565 /nfs/dbraw/zinc/29/65/65/183296565.db2.gz RZSSXPIOBFTBNH-LBPRGKRZSA-N 1 0 312.435 1.581 10 0 DDAERO CCC[NH2+]Cc1cc2c(cc1OCCS(C)(=O)=O)OCO2 ZINC000042874767 183316347 /nfs/dbraw/zinc/31/63/47/183316347.db2.gz RJMQZQHSUHRMBS-UHFFFAOYSA-N 1 0 315.391 1.338 10 0 DDAERO COC[C@H](O)CN(C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042955301 183322411 /nfs/dbraw/zinc/32/24/11/183322411.db2.gz TUTLTJIRXBYUSE-OLZOCXBDSA-N 1 0 317.227 1.388 10 0 DDAERO C[C@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)CC(N)=O ZINC000043020451 183328892 /nfs/dbraw/zinc/32/88/92/183328892.db2.gz KERHRJMDRBWYDK-QPUJVOFHSA-N 1 0 300.200 1.255 10 0 DDAERO C[C@H]([NH3+])[C@H](c1ccccc1Cl)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043051704 183332592 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CC(C)NS(=O)(=O)c1ccccc1NC[C@H]1CCC[NH2+]C1 ZINC000044503295 183415687 /nfs/dbraw/zinc/41/56/87/183415687.db2.gz QXICWWAYJCQOQL-ZDUSSCGKSA-N 1 0 311.451 1.785 10 0 DDAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)NCc2cc(C)on2)cc1 ZINC000044728274 183436161 /nfs/dbraw/zinc/43/61/61/183436161.db2.gz YCNIEEHEQBAPMG-LLVKDONJSA-N 1 0 309.391 1.742 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](O)Cc2ccccc2)C1 ZINC000105174197 194081513 /nfs/dbraw/zinc/08/15/13/194081513.db2.gz NEGGZOPLQOWIKJ-JKSUJKDBSA-N 1 0 305.422 1.374 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](O)Cc2ccccc2)C1 ZINC000105174200 194082376 /nfs/dbraw/zinc/08/23/76/194082376.db2.gz NEGGZOPLQOWIKJ-HZPDHXFCSA-N 1 0 305.422 1.374 10 0 DDAERO CC[C@H]1CN(Cc2cn3cccnc3n2)CC[N@@H+]1C[C@@H](C)O ZINC000105826654 194137396 /nfs/dbraw/zinc/13/73/96/194137396.db2.gz WYILGPHNSMLXSR-HIFRSBDPSA-N 1 0 303.410 1.006 10 0 DDAERO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cc1 ZINC000105871268 194151989 /nfs/dbraw/zinc/15/19/89/194151989.db2.gz QPJCFAAAEWTWIW-WCQYABFASA-N 1 0 315.377 1.218 10 0 DDAERO CCCCCNC(=O)[C@@H](C)[NH2+][C@H]1CCc2nc(CC)nn2C1 ZINC000105873218 194152567 /nfs/dbraw/zinc/15/25/67/194152567.db2.gz WVBSAAPOTAIADP-OLZOCXBDSA-N 1 0 307.442 1.440 10 0 DDAERO Cc1csc(=O)n1CC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105883378 194157613 /nfs/dbraw/zinc/15/76/13/194157613.db2.gz SKEBQUWWNIFBGZ-CYBMUJFWSA-N 1 0 307.423 1.222 10 0 DDAERO O[C@H](COCc1ccco1)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000105904258 194166614 /nfs/dbraw/zinc/16/66/14/194166614.db2.gz KLCYMANPLJLLLW-KBPBESRZSA-N 1 0 306.366 1.086 10 0 DDAERO CCc1nccn1[C@H]1CCC[N@H+](CC(=O)NCCCOC)C1 ZINC000105922608 194170737 /nfs/dbraw/zinc/17/07/37/194170737.db2.gz RDBTXJOUTYKFIN-AWEZNQCLSA-N 1 0 308.426 1.235 10 0 DDAERO CSc1cccc(NC(=O)CN2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000105927234 194173219 /nfs/dbraw/zinc/17/32/19/194173219.db2.gz LVNDHVISGMYKGQ-CQSZACIVSA-N 1 0 323.462 1.609 10 0 DDAERO C[C@H](O)C[NH+]1CCC(CN(C)CC(=O)c2cccn2C)CC1 ZINC000106125750 194186886 /nfs/dbraw/zinc/18/68/86/194186886.db2.gz RGWWJAGQQPCQDU-AWEZNQCLSA-N 1 0 307.438 1.232 10 0 DDAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NC[C@@H](O)C(C)(C)C ZINC000638277761 422796141 /nfs/dbraw/zinc/79/61/41/422796141.db2.gz CLXNWNNWCRNPLT-NWANDNLSSA-N 1 0 308.422 1.442 10 0 DDAERO COc1ccc(NS(=O)(=O)C[C@H]2CCC[NH2+]C2)cc1OC ZINC000049640929 183750333 /nfs/dbraw/zinc/75/03/33/183750333.db2.gz AFRGFWLNMHWMAW-NSHDSACASA-N 1 0 314.407 1.445 10 0 DDAERO CCN(C1(C[NH3+])CCC(C)CC1)S(=O)(=O)N(C)C(C)C ZINC000050092824 183772402 /nfs/dbraw/zinc/77/24/02/183772402.db2.gz BOTSBYNDXUFIAJ-UHFFFAOYSA-N 1 0 305.488 1.801 10 0 DDAERO CC[C@H]([NH3+])[C@H](Sc1ncnc2[nH]cnc21)c1cnn(C)c1 ZINC000051036012 183811568 /nfs/dbraw/zinc/81/15/68/183811568.db2.gz CPWWRJKLEDVMHW-GXSJLCMTSA-N 1 0 303.395 1.657 10 0 DDAERO C[C@@H](C(N)=S)[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000109457938 194265733 /nfs/dbraw/zinc/26/57/33/194265733.db2.gz VFXUECMSGXRFEL-NSHDSACASA-N 1 0 309.410 1.187 10 0 DDAERO O=S(=O)(N[C@H]1CCCOC1)c1ccc(C[NH2+]C2CC2)cc1 ZINC000109550688 194273017 /nfs/dbraw/zinc/27/30/17/194273017.db2.gz NIVVRGXUKMVUTQ-AWEZNQCLSA-N 1 0 310.419 1.396 10 0 DDAERO CC(C)C[NH2+]Cc1ccccc1CN1CCS(=O)(=O)CC1 ZINC000052480432 183861858 /nfs/dbraw/zinc/86/18/58/183861858.db2.gz UQIGYLWLQLTJPY-UHFFFAOYSA-N 1 0 310.463 1.663 10 0 DDAERO CN(c1cccc(Cl)c1C(N)=[NH2+])[C@@H]1CCS(=O)(=O)C1 ZINC000052905166 183879381 /nfs/dbraw/zinc/87/93/81/183879381.db2.gz IZRULUPAAIBHHM-MRVPVSSYSA-N 1 0 301.799 1.247 10 0 DDAERO COc1cc2c(cc1F)[nH+]c(N)n2C[C@@H]1CCS(=O)(=O)C1 ZINC000110630090 194343663 /nfs/dbraw/zinc/34/36/63/194343663.db2.gz PRFHZDOPFCJDPS-QMMMGPOBSA-N 1 0 313.354 1.201 10 0 DDAERO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)c(N)c2)CCN1C ZINC000110700044 194351402 /nfs/dbraw/zinc/35/14/02/194351402.db2.gz JZZXJRBRYPOHTH-NSHDSACASA-N 1 0 310.829 1.887 10 0 DDAERO CN(CC(=O)Nc1ccc(F)c(F)c1F)[C@@H]1CCC[NH2+]C1 ZINC000110931564 194371426 /nfs/dbraw/zinc/37/14/26/194371426.db2.gz CJAVOFSDRWGFNQ-SECBINFHSA-N 1 0 301.312 1.726 10 0 DDAERO CCCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)Cc1cc(C)on1 ZINC000110942402 194372085 /nfs/dbraw/zinc/37/20/85/194372085.db2.gz PPIKJTMHPDOBRS-CYBMUJFWSA-N 1 0 301.412 1.277 10 0 DDAERO CCN([C@H]1CCC[NH2+]C1)S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000110941704 194372476 /nfs/dbraw/zinc/37/24/76/194372476.db2.gz MICRTWHDELPHBQ-MJBXVCDLSA-N 1 0 303.472 1.283 10 0 DDAERO O=C1CC[C@H]([NH2+]Cc2cc(F)ccc2Br)CN1 ZINC000111020161 194384376 /nfs/dbraw/zinc/38/43/76/194384376.db2.gz CPURSWZTOWQLPQ-JTQLQIEISA-N 1 0 301.159 1.956 10 0 DDAERO CN(CCC[NH+](C)C)C(=O)c1cc(Br)cnc1N ZINC000111151972 194396362 /nfs/dbraw/zinc/39/63/62/194396362.db2.gz BFAQRYMOBLFBSY-UHFFFAOYSA-N 1 0 315.215 1.450 10 0 DDAERO C[C@H]([NH3+])c1cccc(S(=O)(=O)N(C)C[C@@H]2CCCOC2)c1 ZINC000111179532 194399039 /nfs/dbraw/zinc/39/90/39/194399039.db2.gz JTIPEIMXTFWYKL-STQMWFEESA-N 1 0 312.435 1.753 10 0 DDAERO Clc1nc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc(-n2ccnc2)n1 ZINC000061540925 184173424 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CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccnc(Cl)c2)C1 ZINC000062970785 184263894 /nfs/dbraw/zinc/26/38/94/184263894.db2.gz KAHNPEWWNHMCQG-LLVKDONJSA-N 1 0 317.842 1.840 10 0 DDAERO CC[NH+](CC)[C@H]1CCN(c2ccc(S(C)(=O)=O)cc2N)C1 ZINC000062975872 184264244 /nfs/dbraw/zinc/26/42/44/184264244.db2.gz DSJZMOWZMCJCDD-LBPRGKRZSA-N 1 0 311.451 1.593 10 0 DDAERO [NH3+]C[C@@H](c1ccc(Cl)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000062977978 184264328 /nfs/dbraw/zinc/26/43/28/184264328.db2.gz NENNTJJBLKQANX-HOTGVXAUSA-N 1 0 309.841 1.746 10 0 DDAERO O=S1(=O)CC[C@H](CNC2=[NH+][C@H](c3ccccc3)CS2)C1 ZINC000063002919 184265506 /nfs/dbraw/zinc/26/55/06/184265506.db2.gz HHPIDOBIFPUSRF-YPMHNXCESA-N 1 0 310.444 1.855 10 0 DDAERO CS(=O)(=O)CCCOc1ccc(C[NH3+])cc1Br ZINC000063014466 184266575 /nfs/dbraw/zinc/26/65/75/184266575.db2.gz MAAGUBMGAVBLLL-UHFFFAOYSA-N 1 0 322.224 1.721 10 0 DDAERO COCC[NH2+]C[C@H](C)Sc1ccc(S(C)(=O)=O)cc1 ZINC000063132094 184272723 /nfs/dbraw/zinc/27/27/23/184272723.db2.gz JAKAIUAARRXRHI-NSHDSACASA-N 1 0 303.449 1.807 10 0 DDAERO CCN(CC)C(=O)CCCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113595358 194605245 /nfs/dbraw/zinc/60/52/45/194605245.db2.gz BRCADXABZOGNCC-GJZGRUSLSA-N 1 0 324.469 1.513 10 0 DDAERO COCCCC(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114414054 194654756 /nfs/dbraw/zinc/65/47/56/194654756.db2.gz KZUWCFZEDZIICE-UHFFFAOYSA-N 1 0 320.437 1.218 10 0 DDAERO C[C@@H](NC(=O)N1CC[C@H](c2cnn(C)c2)C1)C(C)(C)C[NH+](C)C ZINC000119574662 194995627 /nfs/dbraw/zinc/99/56/27/194995627.db2.gz UVRMGTKZGSTFQX-KGLIPLIRSA-N 1 0 321.469 1.895 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C(N)=O)o1 ZINC000159119301 197328366 /nfs/dbraw/zinc/32/83/66/197328366.db2.gz HKCGAZVHKAYQAJ-GFCCVEGCSA-N 1 0 322.409 1.298 10 0 DDAERO C[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)NC1CC1 ZINC000157747979 197212620 /nfs/dbraw/zinc/21/26/20/197212620.db2.gz MUUDNZMOZDHUQG-QWRGUYRKSA-N 1 0 310.419 1.408 10 0 DDAERO CC[NH+](CC)C[C@H]1Cn2nccc2CN(C2CCOCC2)C1 ZINC000248238982 257106716 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C[NH+](C)C[C@H]1CN(Cc2nccn2CC(F)(F)F)CCO1 ZINC000172394961 162273014 /nfs/dbraw/zinc/27/30/14/162273014.db2.gz ZLESPHBLFBOJGN-NSHDSACASA-N 1 0 306.332 1.208 10 0 DDAERO CC(C)[N@H+](C[C@H](O)CN1C(=O)c2ccccc2C1=O)C1CCC1 ZINC000172663982 162291837 /nfs/dbraw/zinc/29/18/37/162291837.db2.gz NTQVLERIJJEGNO-AWEZNQCLSA-N 1 0 316.401 1.906 10 0 DDAERO O[C@H](CN1CC[C@H](N2CCOCC2)C1)c1c(F)cccc1F ZINC000173931629 162377289 /nfs/dbraw/zinc/37/72/89/162377289.db2.gz HBGDAZDIQYKXRT-SWLSCSKDSA-N 1 0 312.360 1.405 10 0 DDAERO COc1ccc(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1O ZINC000176835876 408454825 /nfs/dbraw/zinc/45/48/25/408454825.db2.gz SKOQNBKRDTVNGC-OCCSQVGLSA-N 1 0 321.421 1.929 10 0 DDAERO COCCN(C)c1ccc(C[NH2+][C@H]2CN(C(C)C)C[C@H]2C)cn1 ZINC000191313446 408403290 /nfs/dbraw/zinc/40/32/90/408403290.db2.gz LQLIFPXJKFPKTG-WBVHZDCISA-N 1 0 320.481 1.983 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccnc1N(C)C ZINC000247092780 408405477 /nfs/dbraw/zinc/40/54/77/408405477.db2.gz 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CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccnc(OC)c1 ZINC000177344472 408584260 /nfs/dbraw/zinc/58/42/60/408584260.db2.gz UXHSWDRPNCRMLP-CQSZACIVSA-N 1 0 306.410 1.716 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1nc2ccccn2n1 ZINC000184338820 408593066 /nfs/dbraw/zinc/59/30/66/408593066.db2.gz KGLHLKHPSIGOPW-CHWSQXEVSA-N 1 0 314.393 1.820 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cn(CC2(C)COC2)nn1 ZINC000184337463 408593276 /nfs/dbraw/zinc/59/32/76/408593276.db2.gz GXHNZNOXAGLNCF-CYBMUJFWSA-N 1 0 323.441 1.021 10 0 DDAERO CCC[C@H](C(=O)N[C@H]1CCN(c2ccccc2F)C1=O)[NH+](C)C ZINC000162121942 408671755 /nfs/dbraw/zinc/67/17/55/408671755.db2.gz WYIWOLTULMHNKR-DZGCQCFKSA-N 1 0 321.396 1.778 10 0 DDAERO C[NH+](C)C[C@H]1CN([C@H]2CCc3ccccc3NC2=O)CCO1 ZINC000248837854 408642776 /nfs/dbraw/zinc/64/27/76/408642776.db2.gz KMISGMYDGLYRAX-HOCLYGCPSA-N 1 0 303.406 1.202 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2ccc3[nH]ccc3c2)CCO1 ZINC000177544151 408652037 /nfs/dbraw/zinc/65/20/37/408652037.db2.gz 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LVHDWQVYGVMILC-ZIAGYGMSSA-N 1 0 319.467 1.721 10 0 DDAERO CCC[C@@H]1CCCN(C2(C[NH3+])CCS(=O)(=O)CC2)CC1 ZINC000079305654 185163928 /nfs/dbraw/zinc/16/39/28/185163928.db2.gz JYWASOGRCZLYAQ-CQSZACIVSA-N 1 0 302.484 1.795 10 0 DDAERO CC(C)CCN(C1CC1)[C@@]1(C[NH3+])CCC[C@@H]1S(C)(=O)=O ZINC000096875783 185390115 /nfs/dbraw/zinc/39/01/15/185390115.db2.gz MTLKRIVBFDYWNL-LSDHHAIUSA-N 1 0 302.484 1.792 10 0 DDAERO CN1CCO[C@H](C[NH2+]Cc2sccc2Br)C1 ZINC000082462982 185185002 /nfs/dbraw/zinc/18/50/02/185185002.db2.gz MOCIXERPYNZPOO-SECBINFHSA-N 1 0 305.241 1.931 10 0 DDAERO C[NH2+][C@@H](CS(=O)(=O)CCOC)c1ccc(OC(C)C)cc1 ZINC000081945135 192346219 /nfs/dbraw/zinc/34/62/19/192346219.db2.gz XFCLEJNUTPYAQZ-HNNXBMFYSA-N 1 0 315.435 1.796 10 0 DDAERO [NH3+][C@H](c1sccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000087630456 185229522 /nfs/dbraw/zinc/22/95/22/185229522.db2.gz MEBHAWFSOCAEFW-SVRRBLITSA-N 1 0 310.238 1.945 10 0 DDAERO CCC(C)(C)[C@H]1CC[C@H]([NH3+])[C@H](S(=O)(=O)CC(=O)OC)C1 ZINC000081976782 192347674 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C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2cccnn2)CC1 ZINC000181233762 539237673 /nfs/dbraw/zinc/23/76/73/539237673.db2.gz UOORMFPQBXZNKD-GFCCVEGCSA-N 1 0 307.398 1.033 10 0 DDAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2c3nsnc3ccc2Cl)C1 ZINC000088126551 185240367 /nfs/dbraw/zinc/24/03/67/185240367.db2.gz MDHZNBQADNGUMT-RCOVLWMOSA-N 1 0 312.782 1.660 10 0 DDAERO C[NH2+][C@@H](CCO)CS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000088312277 185245147 /nfs/dbraw/zinc/24/51/47/185245147.db2.gz JNJDYGDGQZAWGW-QMMMGPOBSA-N 1 0 312.218 1.738 10 0 DDAERO [NH3+]Cc1c(F)cccc1S(=O)(=O)NCC(C1CC1)C1CC1 ZINC000088455562 185251587 /nfs/dbraw/zinc/25/15/87/185251587.db2.gz CONRUKLNFOASHP-UHFFFAOYSA-N 1 0 312.410 1.999 10 0 DDAERO CC[C@H](C[NH3+])S(=O)(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000088473902 185252312 /nfs/dbraw/zinc/25/23/12/185252312.db2.gz QUDWRERTVBMLCA-LLVKDONJSA-N 1 0 310.341 1.862 10 0 DDAERO CC[NH+](CC)CCC[C@@H](C)NS(=O)(=O)[C@H](C)C(N)=S ZINC000088487087 185253475 /nfs/dbraw/zinc/25/34/75/185253475.db2.gz WYNQWFKWIIHTLG-GHMZBOCLSA-N 1 0 309.501 1.091 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCN(C(C)(C)C)CC2)o1 ZINC000088544364 185256746 /nfs/dbraw/zinc/25/67/46/185256746.db2.gz ZCFTXFJQPLPMBI-UHFFFAOYSA-N 1 0 315.439 1.104 10 0 DDAERO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1sc2nccnc2c1N ZINC000088642404 185261303 /nfs/dbraw/zinc/26/13/03/185261303.db2.gz VAAMWGOYHGIBLE-SECBINFHSA-N 1 0 305.407 1.488 10 0 DDAERO CC[C@H](C(N)=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195250195 539263240 /nfs/dbraw/zinc/26/32/40/539263240.db2.gz YTYXNGNWWHIPDR-CHWSQXEVSA-N 1 0 310.467 1.469 10 0 DDAERO C[C@@H]([NH2+]CC(=O)NCCO[C@H]1CCCC[C@H]1C)[C@H]1CCCO1 ZINC000248632280 539272249 /nfs/dbraw/zinc/27/22/49/539272249.db2.gz WUGUWCSNLHVBNF-LVQVYYBASA-N 1 0 312.454 1.855 10 0 DDAERO Cc1ccc([C@H](C)NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)o1 ZINC000245920446 539268870 /nfs/dbraw/zinc/26/88/70/539268870.db2.gz XOWDGKOAJJFOKS-SCRDCRAPSA-N 1 0 309.410 1.746 10 0 DDAERO Cc1ccccc1S(=O)(=O)[C@@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000081978402 192349434 /nfs/dbraw/zinc/34/94/34/192349434.db2.gz NJQPUNAWQQTEHC-TZMCWYRMSA-N 1 0 311.403 1.392 10 0 DDAERO C[NH2+][C@H](C[S@](=O)CCCOC)c1ccc(OC)cc1OC ZINC000081999614 192352881 /nfs/dbraw/zinc/35/28/81/192352881.db2.gz BQGPQIAFKPZTJX-SZNDQCEHSA-N 1 0 315.435 1.750 10 0 DDAERO CCCCOCCOC[C@@H](O)C[NH2+]C[C@@](C)(O)CC(C)C ZINC000090271833 185288622 /nfs/dbraw/zinc/28/86/22/185288622.db2.gz CSAYGMWDPHYENA-HOTGVXAUSA-N 1 0 305.459 1.567 10 0 DDAERO O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C2C[NH2+]C2)CC1 ZINC000090307096 185290264 /nfs/dbraw/zinc/29/02/64/185290264.db2.gz AUXWZGAWSYOCGY-UHFFFAOYSA-N 1 0 314.216 1.723 10 0 DDAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000090313045 185290712 /nfs/dbraw/zinc/29/07/12/185290712.db2.gz XNTBMBJCQQTUIX-ZNMIVQPWSA-N 1 0 312.435 1.593 10 0 DDAERO CCn1cc(Br)cc1C(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090320956 185290860 /nfs/dbraw/zinc/29/08/60/185290860.db2.gz SBZJQKHDPMDCNR-NXEZZACHSA-N 1 0 312.211 1.562 10 0 DDAERO CCC(CC)[C@@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)N1CCOCC1 ZINC000246809674 282221130 /nfs/dbraw/zinc/22/11/30/282221130.db2.gz RUZJMKZMXFTSNA-IRXDYDNUSA-N 1 0 323.481 1.430 10 0 DDAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1cc(F)ccc1F ZINC000090331605 185291432 /nfs/dbraw/zinc/29/14/32/185291432.db2.gz XBNQDAWSJPLQSC-SUZMYJTESA-N 1 0 316.373 1.583 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1cccc(Cl)c1 ZINC000090336940 185291979 /nfs/dbraw/zinc/29/19/79/185291979.db2.gz OUOSSHNBQKQPNJ-MFKMUULPSA-N 1 0 314.838 1.959 10 0 DDAERO COc1ccc(NC(=O)[C@H]2COC[C@@H]2[NH3+])c(C(F)(F)F)c1 ZINC000090379857 185293703 /nfs/dbraw/zinc/29/37/03/185293703.db2.gz IAUYVDCNDHRZQN-WPRPVWTQSA-N 1 0 304.268 1.626 10 0 DDAERO CN(Cc1cccc(Br)c1)C(=O)[C@H]1COC[C@@H]1[NH3+] ZINC000090383133 185293833 /nfs/dbraw/zinc/29/38/33/185293833.db2.gz IKGIBIJZUMDWRM-RYUDHWBXSA-N 1 0 313.195 1.381 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccccc1OC(F)(F)F ZINC000090431642 185295906 /nfs/dbraw/zinc/29/59/06/185295906.db2.gz FWUGBEPZROPFGE-WCBMZHEXSA-N 1 0 304.268 1.758 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cc(C(=O)OC)ccc1Cl ZINC000090433341 185296451 /nfs/dbraw/zinc/29/64/51/185296451.db2.gz FBRYTSNDHYRFMP-CABZTGNLSA-N 1 0 312.753 1.300 10 0 DDAERO COc1ccc2nc(NC(=O)[C@@]3(C)COC[C@H]3[NH3+])sc2c1 ZINC000090580769 185304744 /nfs/dbraw/zinc/30/47/44/185304744.db2.gz CWCYDKHUIRNVHK-RISCZKNCSA-N 1 0 307.375 1.607 10 0 DDAERO Cc1noc(C)c1[C@H](C)NS(=O)(=O)c1ccccc1C[NH3+] ZINC000092344035 185313351 /nfs/dbraw/zinc/31/33/51/185313351.db2.gz IYPKFYQLRFDFEB-JTQLQIEISA-N 1 0 309.391 1.790 10 0 DDAERO Cc1nn(CCS(C)(=O)=O)c(C)c1C[C@@H](C)C[NH2+]C1CC1 ZINC000092323501 185312365 /nfs/dbraw/zinc/31/23/65/185312365.db2.gz WGVOXQAPZYFEQN-LLVKDONJSA-N 1 0 313.467 1.475 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(N)ccc1C ZINC000092622668 185329904 /nfs/dbraw/zinc/32/99/04/185329904.db2.gz YTWRUHGUNQRWNS-CQSZACIVSA-N 1 0 311.451 1.682 10 0 DDAERO O=C(Nc1nc2c(s1)CCCC2)c1cn(C2C[NH2+]C2)nn1 ZINC000092702066 185333862 /nfs/dbraw/zinc/33/38/62/185333862.db2.gz PGQWQRZTNJEFQY-UHFFFAOYSA-N 1 0 304.379 1.010 10 0 DDAERO CCn1cnc(S(=O)(=O)N2CCC[C@@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC000092910056 185348654 /nfs/dbraw/zinc/34/86/54/185348654.db2.gz CVCLCPQDSWYSFJ-CHWSQXEVSA-N 1 0 312.439 1.056 10 0 DDAERO CCn1cnc(S(=O)(=O)N2CCC[C@@H](C[NH2+]C(C)C)C2)c1 ZINC000092910550 185348692 /nfs/dbraw/zinc/34/86/92/185348692.db2.gz STJXXBNTYWAWEH-ZDUSSCGKSA-N 1 0 314.455 1.302 10 0 DDAERO CCN(C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C1)CC(F)(F)F ZINC000262669364 282293530 /nfs/dbraw/zinc/29/35/30/282293530.db2.gz MJEZOIDXOCHGPI-XQQFMLRXSA-N 1 0 321.387 1.847 10 0 DDAERO C[NH2+][C@H](C[C@@H]1CCS(=O)(=O)C1)c1ccc(OC)cc1OC ZINC000097132858 185413784 /nfs/dbraw/zinc/41/37/84/185413784.db2.gz PCUBBGFVUPDUHE-SMDDNHRTSA-N 1 0 313.419 1.789 10 0 DDAERO CCOC1CCN(S(=O)(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000040690257 190666188 /nfs/dbraw/zinc/66/61/88/190666188.db2.gz RFUXJRQHKHZBLN-LBPRGKRZSA-N 1 0 312.435 1.896 10 0 DDAERO CO[C@@H]1CCN(Cc2nc(-c3cccs3)no2)[C@@H](C[NH3+])C1 ZINC000226423398 201779678 /nfs/dbraw/zinc/77/96/78/201779678.db2.gz KRXODCNIWQNHSS-GHMZBOCLSA-N 1 0 308.407 1.736 10 0 DDAERO O=C(N[C@@H](CO)c1ccccc1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111247308 185564184 /nfs/dbraw/zinc/56/41/84/185564184.db2.gz YCRLXULOYOSDKD-WCQYABFASA-N 1 0 302.296 1.378 10 0 DDAERO CCC[NH2+][C@@H](C)[C@H]1CCCN(S(=O)(=O)N2CCCC2)C1 ZINC000111713577 185628975 /nfs/dbraw/zinc/62/89/75/185628975.db2.gz NAWDVECHVMOTGR-KBPBESRZSA-N 1 0 303.472 1.427 10 0 DDAERO C[NH2+][C@@H](C)C1CCN(S(=O)(=O)CCc2ccncc2)CC1 ZINC000111714242 185629365 /nfs/dbraw/zinc/62/93/65/185629365.db2.gz OWSKJLUSMTZIBB-ZDUSSCGKSA-N 1 0 311.451 1.274 10 0 DDAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@H](c2nn[nH]n2)C1 ZINC000616627698 362762928 /nfs/dbraw/zinc/76/29/28/362762928.db2.gz MUXQZSKAYRWUDS-NSHDSACASA-N 1 0 310.402 1.294 10 0 DDAERO CC(C)(C)OC(=O)Nc1ccccc1[C@H]1CN(CCO)CC[NH2+]1 ZINC000616632381 362764800 /nfs/dbraw/zinc/76/48/00/362764800.db2.gz PAVASNDUVSBDAM-OAHLLOKOSA-N 1 0 321.421 1.972 10 0 DDAERO CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NCC(C)(C)[NH3+] ZINC000236672467 201957725 /nfs/dbraw/zinc/95/77/25/201957725.db2.gz LYJOAPKPSHEUCC-CYBMUJFWSA-N 1 0 309.385 1.434 10 0 DDAERO O=S(=O)(N[C@H]1CCCC[NH2+]C1)c1ccc(F)cc1Cl ZINC000070120637 190859327 /nfs/dbraw/zinc/85/93/27/190859327.db2.gz AHJSCSIRFUIUCR-JTQLQIEISA-N 1 0 306.790 1.900 10 0 DDAERO CCC(CC)n1ccc(C[C@@H](C[NH3+])[C@H]2CCS(=O)(=O)C2)n1 ZINC000070324648 190881024 /nfs/dbraw/zinc/88/10/24/190881024.db2.gz RAVMKTLCHHGCIS-STQMWFEESA-N 1 0 313.467 1.796 10 0 DDAERO CC[C@H]([NH3+])c1cccc(S(=O)(=O)N(C)Cc2ncc[nH]2)c1 ZINC000080531932 192166084 /nfs/dbraw/zinc/16/60/84/192166084.db2.gz AJDQENFVVUCGPB-ZDUSSCGKSA-N 1 0 308.407 1.640 10 0 DDAERO C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)Cc2ncc[nH]2)c1 ZINC000080531941 192166275 /nfs/dbraw/zinc/16/62/75/192166275.db2.gz FAJXSBQBOXUOAW-NSHDSACASA-N 1 0 308.407 1.511 10 0 DDAERO CC[C@H](C[NH3+])NS(=O)(=O)c1sccc1Br ZINC000083566321 192373614 /nfs/dbraw/zinc/37/36/14/192373614.db2.gz KLDIGONQTSVUBO-ZCFIWIBFSA-N 1 0 313.242 1.526 10 0 DDAERO C[C@H](C[NH2+]C(C)(C)C)CN1C(=O)N[C@@](C)(C(F)(F)F)C1=O ZINC000071196794 190940603 /nfs/dbraw/zinc/94/06/03/190940603.db2.gz WZSSKGRHHYUZNQ-PRHODGIISA-N 1 0 309.332 1.883 10 0 DDAERO C[NH+]1CCC(CNc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000071391018 190965163 /nfs/dbraw/zinc/96/51/63/190965163.db2.gz DLULYXAQWUAPIE-UHFFFAOYSA-N 1 0 301.387 1.227 10 0 DDAERO CCC[NH2+][C@@H](CC)C[S@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084056109 192397480 /nfs/dbraw/zinc/39/74/80/192397480.db2.gz ZUCIUFWGPTXXHL-HXPMCKFVSA-N 1 0 317.476 1.976 10 0 DDAERO C[NH+](C)CCNS(=O)(=O)c1ccc(-c2ccncc2)cc1 ZINC000071709488 191011137 /nfs/dbraw/zinc/01/11/37/191011137.db2.gz WGXNDTVPAWAFLI-UHFFFAOYSA-N 1 0 305.403 1.589 10 0 DDAERO CN(CCO)C(=O)Cc1csc(-c2ccccc2C[NH3+])n1 ZINC000071685186 191009015 /nfs/dbraw/zinc/00/90/15/191009015.db2.gz QFZUZBDEHXULJP-UHFFFAOYSA-N 1 0 305.403 1.262 10 0 DDAERO Cc1cc(NC(=O)N2CC[C@H]([NH+](C)C)C2)ccc1C(=O)N(C)C ZINC000152534926 186082542 /nfs/dbraw/zinc/08/25/42/186082542.db2.gz MUURRRAHZXUVAF-AWEZNQCLSA-N 1 0 318.421 1.865 10 0 DDAERO COC(=O)c1ccnc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000181901786 186216596 /nfs/dbraw/zinc/21/65/96/186216596.db2.gz UASHNXPARLMZNR-CYBMUJFWSA-N 1 0 318.377 1.570 10 0 DDAERO O=C(NCCCNc1ccccn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171901531 198005101 /nfs/dbraw/zinc/00/51/01/198005101.db2.gz MSIOSRUJDNVPJK-CQSZACIVSA-N 1 0 303.410 1.373 10 0 DDAERO COC[C@@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000172132641 198044278 /nfs/dbraw/zinc/04/42/78/198044278.db2.gz JZJIVCJCIYVCHU-JKSUJKDBSA-N 1 0 321.421 1.346 10 0 DDAERO CCCCNC(=O)NCC[NH2+]C[C@H](O)COc1ccccc1 ZINC000028263755 352228723 /nfs/dbraw/zinc/22/87/23/352228723.db2.gz XUYWZDFCPROTSE-AWEZNQCLSA-N 1 0 309.410 1.115 10 0 DDAERO O=C1O[C@@H](CN2CC[N@@H+]3CCC[C@@H]3C2)CN1c1ccccc1 ZINC000172794771 198150279 /nfs/dbraw/zinc/15/02/79/198150279.db2.gz IVRKILCYSXIOMX-CVEARBPZSA-N 1 0 301.390 1.792 10 0 DDAERO C[C@@H](C(=O)NCc1ccccc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172803548 198150927 /nfs/dbraw/zinc/15/09/27/198150927.db2.gz BMFFYIPBTNZVQY-DOTOQJQBSA-N 1 0 301.434 1.861 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(C(N)=O)cc2)C1 ZINC000052528712 352615331 /nfs/dbraw/zinc/61/53/31/352615331.db2.gz VFXQHISHMZRHSP-CQSZACIVSA-N 1 0 304.394 1.069 10 0 DDAERO COc1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1 ZINC000173235741 198198737 /nfs/dbraw/zinc/19/87/37/198198737.db2.gz VVIBWGFIEDRDAQ-QWHCGFSZSA-N 1 0 307.394 1.614 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccnc(OC)c1 ZINC000173678539 198239737 /nfs/dbraw/zinc/23/97/37/198239737.db2.gz QJJLYIVSVVJLJG-HUUCEWRRSA-N 1 0 318.421 1.858 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(CC(=O)N(CC)c2ccccc2)CC1 ZINC000174088444 198289859 /nfs/dbraw/zinc/28/98/59/198289859.db2.gz IJXLDEBUYHRXJX-KRWDZBQOSA-N 1 0 319.449 1.428 10 0 DDAERO C[NH+](C)C[C@H](NC(=O)CCCCc1c[nH]nn1)c1ccccc1 ZINC000182123832 199390519 /nfs/dbraw/zinc/39/05/19/199390519.db2.gz QQFLGQQEPHODCF-INIZCTEOSA-N 1 0 315.421 1.937 10 0 DDAERO COC(=O)C[C@@H]1CCCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000084963541 353730557 /nfs/dbraw/zinc/73/05/57/353730557.db2.gz KZZQXOFMOYWKNN-IRXDYDNUSA-N 1 0 321.417 1.982 10 0 DDAERO Cc1ccc([C@H](C)[NH2+]CCN2CCCS2(=O)=O)cc1F ZINC000089519642 353774453 /nfs/dbraw/zinc/77/44/53/353774453.db2.gz HAHNYCGWCPTULW-LBPRGKRZSA-N 1 0 300.399 1.820 10 0 DDAERO C[NH2+]C[C@@H]1CCN(c2ncc(I)cn2)C1 ZINC000126252015 354051902 /nfs/dbraw/zinc/05/19/02/354051902.db2.gz ZRIGVEOEEAOZNV-QMMMGPOBSA-N 1 0 318.162 1.127 10 0 DDAERO C[NH2+][C@H]1CCCN(c2ncc(I)cn2)C1 ZINC000126246091 354052221 /nfs/dbraw/zinc/05/22/21/354052221.db2.gz LESUEHYGTJFYFW-VIFPVBQESA-N 1 0 318.162 1.269 10 0 DDAERO CCN1CCO[C@@H](CNc2ncc(Br)cn2)C1 ZINC000158615945 354230800 /nfs/dbraw/zinc/23/08/00/354230800.db2.gz PVTNBDUGNDGYJE-JTQLQIEISA-N 1 0 301.188 1.372 10 0 DDAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3nccn(C)c3=O)C2)C[C@H](C)O1 ZINC000328637502 354556443 /nfs/dbraw/zinc/55/64/43/354556443.db2.gz OQWSQQWAKCBIJF-LXTVHRRPSA-N 1 0 320.437 1.295 10 0 DDAERO C[N@H+](CC1CC1)C[C@@H]1CN(C(=O)Cc2ccc(F)cc2)CCO1 ZINC000328647540 354558852 /nfs/dbraw/zinc/55/88/52/354558852.db2.gz UAOAXXFCEWPMOP-QGZVFWFLSA-N 1 0 320.408 1.937 10 0 DDAERO CCN1CCN(C(=O)[C@H](C)CSC)C[C@@H]1c1nccn1C ZINC000328621597 354548250 /nfs/dbraw/zinc/54/82/50/354548250.db2.gz HWKXURIZWDJIFV-CHWSQXEVSA-N 1 0 310.467 1.624 10 0 DDAERO COc1cccc(C[NH2+]C[C@H]2CCC(=O)N2)c1OC(F)F ZINC000079925800 191986148 /nfs/dbraw/zinc/98/61/48/191986148.db2.gz QQZJOLWFSAIRJB-SNVBAGLBSA-N 1 0 300.305 1.665 10 0 DDAERO [NH3+]C[C@@H](c1ccc(Br)o1)N1CCn2cnnc2C1 ZINC000081532447 192284831 /nfs/dbraw/zinc/28/48/31/192284831.db2.gz FQSJKVFSMURJNZ-QMMMGPOBSA-N 1 0 312.171 1.149 10 0 DDAERO [NH3+][C@H]1CCCCC[C@H]1N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081533631 192284883 /nfs/dbraw/zinc/28/48/83/192284883.db2.gz 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C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1cc(F)c(F)cc1F ZINC000193396694 201044278 /nfs/dbraw/zinc/04/42/78/201044278.db2.gz VLYCZPNSQPSUIM-HQJQHLMTSA-N 1 0 308.325 1.380 10 0 DDAERO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000194775065 201287453 /nfs/dbraw/zinc/28/74/53/201287453.db2.gz IPSRYBZGKMXGGM-VIFPVBQESA-N 1 0 312.420 1.016 10 0 DDAERO CCC[NH2+][C@@H]1CCC[C@@H]1CN1CCSC[C@@H]1S(C)(=O)=O ZINC000090923573 192948535 /nfs/dbraw/zinc/94/85/35/192948535.db2.gz MNEAPTAHMBZXIR-MCIONIFRSA-N 1 0 320.524 1.574 10 0 DDAERO CC(=O)N[C@H](CC(=O)N[C@@H]1CCC[NH2+][C@H]1C)c1ccc(C)cc1 ZINC000248843783 202766542 /nfs/dbraw/zinc/76/65/42/202766542.db2.gz HCSCZIALWQZQST-IAOVAPTHSA-N 1 0 317.433 1.819 10 0 DDAERO COC(=O)c1ccc(Cl)c(NC(=O)C[C@H]2C[NH2+]CCO2)c1 ZINC000091300053 193033852 /nfs/dbraw/zinc/03/38/52/193033852.db2.gz IVYSHCFUOLTHFV-JTQLQIEISA-N 1 0 312.753 1.444 10 0 DDAERO C[C@H](O)c1ccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091449287 193057489 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CC[C@@](C)([C@@H]([NH3+])CCCS(=O)(=O)CC)N1CCOCC1 ZINC000091611615 193079510 /nfs/dbraw/zinc/07/95/10/193079510.db2.gz MNWUGGFVZBXBTF-KBPBESRZSA-N 1 0 306.472 1.030 10 0 DDAERO C[C@@H](C(=O)Nc1ccc(Cl)cc1N)[N@H+](C)CC1CC(O)C1 ZINC000091460318 193059611 /nfs/dbraw/zinc/05/96/11/193059611.db2.gz KFLBGJCJQGIYJF-BMQDGWLCSA-N 1 0 311.813 1.952 10 0 DDAERO CCNC(=O)c1cc(N2CCC(C[NH3+])(SC)CC2)ccn1 ZINC000091474536 193061197 /nfs/dbraw/zinc/06/11/97/193061197.db2.gz FRFNQTWSOGHNSO-UHFFFAOYSA-N 1 0 308.451 1.492 10 0 DDAERO NC(=S)c1cc(F)ccc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091671449 193089155 /nfs/dbraw/zinc/08/91/55/193089155.db2.gz WVTVEFJVYDKNJO-VXGBXAGGSA-N 1 0 309.410 1.735 10 0 DDAERO C[NH2+][C@H](Cc1cc(Br)cs1)[C@H]1CN(C)CCO1 ZINC000091717757 193097219 /nfs/dbraw/zinc/09/72/19/193097219.db2.gz ADVATWMMWGIDAI-VXGBXAGGSA-N 1 0 319.268 1.972 10 0 DDAERO C[NH2+][C@H](CCCS(C)(=O)=O)C1(N2CCCC2)CCCC1 ZINC000091641024 193082932 /nfs/dbraw/zinc/08/29/32/193082932.db2.gz 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Cc1nn(C)cc1C[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000093151222 193208884 /nfs/dbraw/zinc/20/88/84/193208884.db2.gz MGXSDOJMAZBCOU-UHFFFAOYSA-N 1 0 300.410 1.539 10 0 DDAERO C[C@H]1SCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)[C@H]1C ZINC000262278775 203248293 /nfs/dbraw/zinc/24/82/93/203248293.db2.gz NQQIUCQHELOGKW-UNJBNNCHSA-N 1 0 308.451 1.076 10 0 DDAERO CC[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)c1ccncc1 ZINC000262295694 203253832 /nfs/dbraw/zinc/25/38/32/203253832.db2.gz PBFPHVXRGKQLHM-OWCLPIDISA-N 1 0 313.405 1.386 10 0 DDAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)CCc1cscn1 ZINC000262369936 203275065 /nfs/dbraw/zinc/27/50/65/203275065.db2.gz JVXDUDDBKAMLPO-UHFFFAOYSA-N 1 0 320.422 1.310 10 0 DDAERO CSc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)nc1 ZINC000262343382 203267872 /nfs/dbraw/zinc/26/78/72/203267872.db2.gz TWWKWLGTQQPTGI-OLZOCXBDSA-N 1 0 317.418 1.479 10 0 DDAERO C[C@H]1C[C@@H](C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)CC[NH2+]1 ZINC000262437787 203293883 /nfs/dbraw/zinc/29/38/83/203293883.db2.gz XNKBFDIATCZYIH-AJNGGQMLSA-N 1 0 322.405 1.319 10 0 DDAERO CC[C@@H](C)CN(CC)S(=O)(=O)c1cnn(CC[NH2+]C)c1 ZINC000093265882 193222879 /nfs/dbraw/zinc/22/28/79/193222879.db2.gz ZJFOPIPAHWUAFF-GFCCVEGCSA-N 1 0 302.444 1.159 10 0 DDAERO CC[C@H](C)CN(CC)S(=O)(=O)c1cnn(CCC[NH2+]C)c1 ZINC000093265714 193223131 /nfs/dbraw/zinc/22/31/31/193223131.db2.gz LWNBXCKXOQUBPQ-ZDUSSCGKSA-N 1 0 316.471 1.549 10 0 DDAERO COCCN1C(=[NH2+])NC[C@@H]1c1cc(Cl)c2c(c1)OCCO2 ZINC000093380413 193240515 /nfs/dbraw/zinc/24/05/15/193240515.db2.gz UGEUEYIHAIOOTA-LLVKDONJSA-N 1 0 311.769 1.429 10 0 DDAERO C[NH2+]Cc1cn(C)nc1-c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000093296919 193226919 /nfs/dbraw/zinc/22/69/19/193226919.db2.gz QYGUYSBXTJTQGS-UHFFFAOYSA-N 1 0 309.391 1.219 10 0 DDAERO CCC(CC)N(CC(C)C)S(=O)(=O)N1CCC[NH2+]CC1 ZINC000093309267 193227215 /nfs/dbraw/zinc/22/72/15/193227215.db2.gz BYIABKKEULZWHI-UHFFFAOYSA-N 1 0 305.488 1.673 10 0 DDAERO CCC[C@@](C)([NH3+])C(=O)NCCCNC(=O)c1cccc(O)c1 ZINC000262693085 203383716 /nfs/dbraw/zinc/38/37/16/203383716.db2.gz BJXKLGHQMONELA-MRXNPFEDSA-N 1 0 307.394 1.146 10 0 DDAERO CCS(=O)(=O)[C@@H]1CSCCN1c1cccc(F)c1C[NH3+] ZINC000093395557 193243422 /nfs/dbraw/zinc/24/34/22/193243422.db2.gz NWKINKVEXWPKBN-CYBMUJFWSA-N 1 0 318.439 1.598 10 0 DDAERO CCC[C@@]1(C(=O)NCC(C)(C)S(C)(=O)=O)CCC[NH2+]C1 ZINC000093526181 193263767 /nfs/dbraw/zinc/26/37/67/193263767.db2.gz AAEHKFIJMCXILC-CQSZACIVSA-N 1 0 304.456 1.096 10 0 DDAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@@H](O)COC(C)(C)C ZINC000246286247 284166813 /nfs/dbraw/zinc/16/68/13/284166813.db2.gz OFSOTLFAZVHROC-YJNKXOJESA-N 1 0 313.438 1.969 10 0 DDAERO COc1ccc(C[NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000093696107 193292150 /nfs/dbraw/zinc/29/21/50/193292150.db2.gz QLXRMGPOFAHSNO-AWEZNQCLSA-N 1 0 312.435 1.456 10 0 DDAERO CC[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1cnccn1 ZINC000093700041 193294082 /nfs/dbraw/zinc/29/40/82/193294082.db2.gz ZJXMEBVJEBIPQV-OLZOCXBDSA-N 1 0 312.439 1.189 10 0 DDAERO CCC[NH2+][C@@H](CSC)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700250 193294103 /nfs/dbraw/zinc/29/41/03/193294103.db2.gz DPHJPIWQCHJJHJ-CHWSQXEVSA-N 1 0 308.513 1.779 10 0 DDAERO CCC[NH2+][C@H](CCOC)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700100 193294358 /nfs/dbraw/zinc/29/43/58/193294358.db2.gz VWAHEKWWPSRDKM-UONOGXRCSA-N 1 0 306.472 1.453 10 0 DDAERO CC(C)[NH2+]CC[C@@](C)(O)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702858 193295353 /nfs/dbraw/zinc/29/53/53/193295353.db2.gz PWRLLVJAWXKNFS-UONOGXRCSA-N 1 0 306.472 1.187 10 0 DDAERO C[NH2+][C@@]1(CO)CCC[C@H](N2CCN(CC(F)(F)F)CC2)C1 ZINC000093781610 193306995 /nfs/dbraw/zinc/30/69/95/193306995.db2.gz GDKZGGHDWLGSES-STQMWFEESA-N 1 0 309.376 1.059 10 0 DDAERO CCC[NH2+]C[C@H]1CCCCN1S(=O)(=O)CCOC(C)C ZINC000093667750 193287293 /nfs/dbraw/zinc/28/72/93/193287293.db2.gz DYZOLFRNCHOGHM-CQSZACIVSA-N 1 0 306.472 1.595 10 0 DDAERO CCCN(CC(C)(C)C[NH3+])S(=O)(=O)CCc1ccncc1 ZINC000093890988 193323903 /nfs/dbraw/zinc/32/39/03/193323903.db2.gz IAIFOGKKNNDWEW-UHFFFAOYSA-N 1 0 313.467 1.651 10 0 DDAERO CCCN1CCO[C@H]([C@@H](CCCS(=O)(=O)CC)[NH2+]CC)C1 ZINC000093920538 193327969 /nfs/dbraw/zinc/32/79/69/193327969.db2.gz RZKVHEFQINXZQU-CABCVRRESA-N 1 0 320.499 1.290 10 0 DDAERO COCC[NH2+]CCC(C)(C)c1ccc(NS(C)(=O)=O)cc1 ZINC000094269770 193355267 /nfs/dbraw/zinc/35/52/67/193355267.db2.gz QNTBGZJJKHAOIO-UHFFFAOYSA-N 1 0 314.451 1.962 10 0 DDAERO CC[NH2+][C@@H]1[C@@H](CN(C)[C@@H]2CCS(=O)(=O)C2)CCCC1(C)C ZINC000094286956 193356347 /nfs/dbraw/zinc/35/63/47/193356347.db2.gz ZINPBEVDNXUGNY-RBSFLKMASA-N 1 0 316.511 1.910 10 0 DDAERO CC[C@H]([NH3+])[C@@H](c1sccc1C)N(C)CCS(C)(=O)=O ZINC000094297374 193356830 /nfs/dbraw/zinc/35/68/30/193356830.db2.gz USUWVFCJTDVTAF-RYUDHWBXSA-N 1 0 304.481 1.811 10 0 DDAERO C[C@H](NC(=O)CC1([NH3+])CCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000094295124 193357013 /nfs/dbraw/zinc/35/70/13/193357013.db2.gz VLKOZBZEAAMSGK-NSHDSACASA-N 1 0 310.419 1.539 10 0 DDAERO CN(CCS(C)(=O)=O)[C@@H](C[NH3+])c1ccccc1OC(F)F ZINC000094297773 193357264 /nfs/dbraw/zinc/35/72/64/193357264.db2.gz KUVXRGUXRXHXFF-NSHDSACASA-N 1 0 322.377 1.264 10 0 DDAERO CN(CCS(C)(=O)=O)c1nc(C(C)(C)C)c(C[NH3+])s1 ZINC000094301204 193358333 /nfs/dbraw/zinc/35/83/33/193358333.db2.gz XQIJVUWSWOBDER-UHFFFAOYSA-N 1 0 305.469 1.380 10 0 DDAERO C[C@H]([NH3+])Cc1cc(F)c(N(C)CCS(C)(=O)=O)c(F)c1 ZINC000094301398 193358610 /nfs/dbraw/zinc/35/86/10/193358610.db2.gz DRNYSLXKZZSGER-VIFPVBQESA-N 1 0 306.378 1.335 10 0 DDAERO Cc1c(F)cc(N)cc1S(=O)(=O)N(C)CC[NH+]1CCCC1 ZINC000094360579 193365650 /nfs/dbraw/zinc/36/56/50/193365650.db2.gz WKWVSIYLIQZHHV-UHFFFAOYSA-N 1 0 315.414 1.433 10 0 DDAERO NC(=O)c1ccc(C(F)(F)F)nc1OCC1([NH3+])CCCC1 ZINC000094337715 193361153 /nfs/dbraw/zinc/36/11/53/193361153.db2.gz OAFOULKEDYENRU-UHFFFAOYSA-N 1 0 303.284 1.850 10 0 DDAERO C[C@H](Oc1c(F)cc(C[NH3+])cc1F)C(=O)N1CCOCC1 ZINC000094345940 193363086 /nfs/dbraw/zinc/36/30/86/193363086.db2.gz IJWYCTHOLOFCLP-VIFPVBQESA-N 1 0 300.305 1.050 10 0 DDAERO Cc1cc(N)c(C)c(S(=O)(=O)N[C@@H](C[NH+](C)C)C(C)C)c1 ZINC000094358546 193363940 /nfs/dbraw/zinc/36/39/40/193363940.db2.gz OGEWYTNMGNAZMM-AWEZNQCLSA-N 1 0 313.467 1.750 10 0 DDAERO Cc1cc(NC(=O)[C@]2([NH3+])CCOC2)ncc1Br ZINC000094063507 193342361 /nfs/dbraw/zinc/34/23/61/193342361.db2.gz YFWDNANOYBCESH-NSHDSACASA-N 1 0 300.156 1.209 10 0 DDAERO CCCc1nnsc1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000094070990 193343357 /nfs/dbraw/zinc/34/33/57/193343357.db2.gz HSQWUCCZLQWKQM-UHFFFAOYSA-N 1 0 312.439 1.461 10 0 DDAERO CC[C@H]([NH3+])Cc1ccc(OCC(=O)NCC(F)(F)F)cn1 ZINC000094216425 193349274 /nfs/dbraw/zinc/34/92/74/193349274.db2.gz LLXSJGJHKYXFMD-VIFPVBQESA-N 1 0 305.300 1.419 10 0 DDAERO CC(C)(C)[NH2+]Cc1ccc(OCCCS(C)(=O)=O)cn1 ZINC000094211678 193349353 /nfs/dbraw/zinc/34/93/53/193349353.db2.gz PLJFOIYPNFMDTQ-UHFFFAOYSA-N 1 0 300.424 1.783 10 0 DDAERO CC[C@](C)([NH3+])C(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000094233516 193353095 /nfs/dbraw/zinc/35/30/95/193353095.db2.gz ULYKSRXWWOUNQL-NSHDSACASA-N 1 0 305.787 1.053 10 0 DDAERO COc1cccc(C[NH3+])c1O[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094634477 193386381 /nfs/dbraw/zinc/38/63/81/193386381.db2.gz CNXKWARTPLSITE-QWHCGFSZSA-N 1 0 313.419 1.889 10 0 DDAERO CN(CC[C@@H]1CCCC[NH2+]1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094645187 193390037 /nfs/dbraw/zinc/39/00/37/193390037.db2.gz CZBYSICDHQDHNE-ZNMIVQPWSA-N 1 0 302.484 1.806 10 0 DDAERO CCC[C@@H](C(N)=S)[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000094680146 193391467 /nfs/dbraw/zinc/39/14/67/193391467.db2.gz XCBGHTIIZMGHPD-HNNXBMFYSA-N 1 0 307.463 1.965 10 0 DDAERO O=S1(=O)CC[C@H]([C@@H](C[NH2+]C2CC2)Cc2ccc(O)cc2)C1 ZINC000094688059 193391541 /nfs/dbraw/zinc/39/15/41/193391541.db2.gz ZBPJBONBMGRLED-UONOGXRCSA-N 1 0 309.431 1.738 10 0 DDAERO CC[N@H+](C[C@@H](C)C(N)=S)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094375874 193367155 /nfs/dbraw/zinc/36/71/55/193367155.db2.gz ZEIXEKWOWIQUCT-CHWSQXEVSA-N 1 0 300.468 1.959 10 0 DDAERO CCC[NH2+][C@H](C(OC)OC)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094407953 193367957 /nfs/dbraw/zinc/36/79/57/193367957.db2.gz SQGWHELVGGKXAQ-KGLIPLIRSA-N 1 0 301.427 1.949 10 0 DDAERO C[C@@H]1C[C@](C[NH3+])(N2CCn3c(nnc3C(F)(F)F)C2)CS1 ZINC000094473775 193372447 /nfs/dbraw/zinc/37/24/47/193372447.db2.gz GDELJLLWCPPQMZ-LDYMZIIASA-N 1 0 321.372 1.335 10 0 DDAERO C[C@@H]1SCCC[C@]1(C[NH3+])N1CCN(c2ccccn2)CC1 ZINC000094478713 193372710 /nfs/dbraw/zinc/37/27/10/193372710.db2.gz QAMPGWZGOYHEBX-GOEBONIOSA-N 1 0 306.479 1.817 10 0 DDAERO C(c1nc([C@@H]2CSCCS2)no1)[C@H]1CSCC[NH2+]1 ZINC000094496009 193373702 /nfs/dbraw/zinc/37/37/02/193373702.db2.gz JQGMACYKSGAOQZ-IUCAKERBSA-N 1 0 303.478 1.838 10 0 DDAERO [NH3+][C@@H](Cc1ccccc1Br)[C@@H]1CN2CCN1CC2 ZINC000094508560 193375138 /nfs/dbraw/zinc/37/51/38/193375138.db2.gz LLGFBFUXQALISE-KBPBESRZSA-N 1 0 310.239 1.319 10 0 DDAERO C[NH2+][C@H](Cc1nc2ccccc2s1)[C@H]1CN2CCN1CC2 ZINC000094509112 193376249 /nfs/dbraw/zinc/37/62/49/193376249.db2.gz BDDSVSBPWAWIJH-ZIAGYGMSSA-N 1 0 302.447 1.427 10 0 DDAERO C[C@@H]1C[C@H]([NH3+])CN(C(=O)c2cc(Br)cn2C)C1 ZINC000094548826 193379036 /nfs/dbraw/zinc/37/90/36/193379036.db2.gz DSBPVVYHYBEWFA-SCZZXKLOSA-N 1 0 300.200 1.597 10 0 DDAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Br)cn2)O1 ZINC000094564908 193380711 /nfs/dbraw/zinc/38/07/11/193380711.db2.gz ZLMDNBIFRHZHBM-IUCAKERBSA-N 1 0 300.156 1.289 10 0 DDAERO CNC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CC[C@@H](C[NH3+])O2)c1 ZINC000094566654 193380713 /nfs/dbraw/zinc/38/07/13/193380713.db2.gz VHMJTMNZHSMRTJ-JOYOIKCWSA-N 1 0 311.769 1.144 10 0 DDAERO C[N@@H+]1CCC[C@H](Nc2nc3ccc(Br)cn3n2)C1 ZINC000094603863 193383826 /nfs/dbraw/zinc/38/38/26/193383826.db2.gz INSGFJZYUMFEDA-JTQLQIEISA-N 1 0 310.199 1.998 10 0 DDAERO NS(=O)(=O)c1ccccc1NC(=O)[C@H]1CCCCC[C@H]1[NH3+] ZINC000094752073 193395551 /nfs/dbraw/zinc/39/55/51/193395551.db2.gz KVYPVSXIPCNRPE-WDEREUQCSA-N 1 0 311.407 1.180 10 0 DDAERO CCC[NH2+][C@H](C)c1sc(N2CC(=O)NC(=O)[C@@H]2C)nc1C ZINC000097297767 193704764 /nfs/dbraw/zinc/70/47/64/193704764.db2.gz AFSIRSXJLRQWFK-SCZZXKLOSA-N 1 0 310.423 1.363 10 0 DDAERO COCc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)NC(C)(C)C)no1 ZINC000015673404 182011989 /nfs/dbraw/zinc/01/19/89/182011989.db2.gz IITUPEQWRYZAFR-STQMWFEESA-N 1 0 323.437 1.894 10 0 DDAERO CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000015773241 182016245 /nfs/dbraw/zinc/01/62/45/182016245.db2.gz GQGGXDQTUAJVIG-MRXNPFEDSA-N 1 0 301.390 1.176 10 0 DDAERO COc1ccc([C@@H](C[NH3+])N2CCOCC2)cc1OC(F)F ZINC000020556089 182231234 /nfs/dbraw/zinc/23/12/34/182231234.db2.gz XNICLXMQYRMKIE-LLVKDONJSA-N 1 0 302.321 1.629 10 0 DDAERO CC(C)(CO)[NH2+]Cc1c(OCC(N)=O)ccc2ccccc21 ZINC000020872753 182250957 /nfs/dbraw/zinc/25/09/57/182250957.db2.gz WQVLMPDUVUKUDP-UHFFFAOYSA-N 1 0 302.374 1.564 10 0 DDAERO C[C@@H]1CN(C(=O)Cc2cccs2)C[C@H](C)N1CC[NH+](C)C ZINC000036126213 182804097 /nfs/dbraw/zinc/80/40/97/182804097.db2.gz FSXWWXBSAQYBRW-OKILXGFUSA-N 1 0 309.479 1.773 10 0 DDAERO [NH3+][C@H]1CCCC[C@H]1Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000038050894 182982269 /nfs/dbraw/zinc/98/22/69/182982269.db2.gz XQFMBOFDQVLDCA-LSDHHAIUSA-N 1 0 309.435 1.809 10 0 DDAERO O=C(NCC1CN(C2CC[NH2+]CC2)C1)OCc1ccccc1 ZINC000039952174 183024074 /nfs/dbraw/zinc/02/40/74/183024074.db2.gz BSVZZRYJWNBFEF-UHFFFAOYSA-N 1 0 303.406 1.597 10 0 DDAERO CC[C@@H]1CN(c2cnc3c(n2)CCCC3)CC[N@@H+]1C[C@@H](C)O ZINC000333597017 249034956 /nfs/dbraw/zinc/03/49/56/249034956.db2.gz VYPAHSYLHWJBLZ-ZIAGYGMSSA-N 1 0 304.438 1.637 10 0 DDAERO O=S(=O)(NC1CCCC1)[C@H]1CCC[N@@H+](CCC2(O)CC2)C1 ZINC000333501267 249003821 /nfs/dbraw/zinc/00/38/21/249003821.db2.gz NZVPYTFLLRGZFW-AWEZNQCLSA-N 1 0 316.467 1.228 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)c(N)c2)C1 ZINC000040501816 183083788 /nfs/dbraw/zinc/08/37/88/183083788.db2.gz OBSHRSDSVWYXDJ-SNVBAGLBSA-N 1 0 317.842 1.685 10 0 DDAERO Cc1ncc(CNC(=O)[C@H]2CCCN2C2CC[NH2+]CC2)s1 ZINC000040998465 183155211 /nfs/dbraw/zinc/15/52/11/183155211.db2.gz ACSPXIDXNJAJMP-CQSZACIVSA-N 1 0 308.451 1.284 10 0 DDAERO CC(=O)NCCC(=O)NC[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000041310327 183184868 /nfs/dbraw/zinc/18/48/68/183184868.db2.gz PZTLEXJUNJHLQT-CQSZACIVSA-N 1 0 311.813 1.585 10 0 DDAERO C[C@H]([NH3+])c1ccc(NC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000041716941 183218252 /nfs/dbraw/zinc/21/82/52/183218252.db2.gz KNWCYASPVSVABD-GWCFXTLKSA-N 1 0 311.407 1.357 10 0 DDAERO CCOCCOC[C@H](O)C[NH2+]CCc1ccc(Cl)cc1 ZINC000042258314 183247286 /nfs/dbraw/zinc/24/72/86/183247286.db2.gz DVXXKCYYJYTQDI-OAHLLOKOSA-N 1 0 301.814 1.886 10 0 DDAERO CCO[C@H]1CCCN(S(=O)(=O)Cc2ccc(C[NH3+])cc2)C1 ZINC000042424147 183268331 /nfs/dbraw/zinc/26/83/31/183268331.db2.gz SDPHNGLLAXNCNI-HNNXBMFYSA-N 1 0 312.435 1.476 10 0 DDAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(C(N)=S)ccc1F ZINC000042428947 183269505 /nfs/dbraw/zinc/26/95/05/183269505.db2.gz WAPXREXLHPPSGU-KOLCDFICSA-N 1 0 309.410 1.546 10 0 DDAERO CCN(C[C@@H](C)C[NH3+])S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000042441957 183270891 /nfs/dbraw/zinc/27/08/91/183270891.db2.gz RCUWPOJEILOOKG-NSHDSACASA-N 1 0 314.407 1.063 10 0 DDAERO CC(C)[N@H+](CCO)[C@H](C)C(=O)Nc1cccc(C(N)=S)c1 ZINC000042479358 183275657 /nfs/dbraw/zinc/27/56/57/183275657.db2.gz PYQJXRDSRRKJEQ-LLVKDONJSA-N 1 0 309.435 1.351 10 0 DDAERO CNC(=O)[C@@H]1CCCN1c1cc(Br)ccc1C[NH3+] ZINC000042395634 183263239 /nfs/dbraw/zinc/26/32/39/183263239.db2.gz GOJPGVPYBHYFNB-NSHDSACASA-N 1 0 312.211 1.623 10 0 DDAERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CCN(CCO)CC1 ZINC000042945233 183319540 /nfs/dbraw/zinc/31/95/40/183319540.db2.gz AQHDRZRABOLWJN-JKSUJKDBSA-N 1 0 311.857 1.728 10 0 DDAERO CC[C@H]([NH3+])[C@@H](c1ccc(OC)cc1)N1CCS(=O)(=O)CC1 ZINC000042961122 183323655 /nfs/dbraw/zinc/32/36/55/183323655.db2.gz NXJBWFBXSKYRGA-LSDHHAIUSA-N 1 0 312.435 1.204 10 0 DDAERO CC(C)[NH2+]CCS(=O)(=O)N1CCc2sccc2[C@H]1C ZINC000042782411 183309305 /nfs/dbraw/zinc/30/93/05/183309305.db2.gz IPRDOHYDTPUXAD-LLVKDONJSA-N 1 0 302.465 1.995 10 0 DDAERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC[C@H]2CCCCO2)cc1 ZINC000042825719 183312860 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CC(C)(C)CC(C)(C)NS(=O)(=O)CCN1CC[NH2+]CC1 ZINC000043437588 183363077 /nfs/dbraw/zinc/36/30/77/183363077.db2.gz XXGAQFVQQIRFOU-UHFFFAOYSA-N 1 0 305.488 1.026 10 0 DDAERO CCOC(=O)CC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000045689225 183523748 /nfs/dbraw/zinc/52/37/48/183523748.db2.gz OXSAWVAFAQLGOJ-GFCCVEGCSA-N 1 0 300.399 1.929 10 0 DDAERO CN1CCO[C@@H](CNC(=O)NCC(C)(C)c2ccccc2F)C1 ZINC000104794388 194040614 /nfs/dbraw/zinc/04/06/14/194040614.db2.gz XDEKKLNAHBKSPR-ZDUSSCGKSA-N 1 0 323.412 1.733 10 0 DDAERO CN(C(=O)c1ccc(CS(C)(=O)=O)cc1)C1CC[NH+](C)CC1 ZINC000046467963 183562565 /nfs/dbraw/zinc/56/25/65/183562565.db2.gz JSRNVHMJAMNKIX-UHFFFAOYSA-N 1 0 324.446 1.397 10 0 DDAERO CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cccc(O)c2)ncn1 ZINC000105904875 194166715 /nfs/dbraw/zinc/16/67/15/194166715.db2.gz IKMISVQPSPGPTC-CQSZACIVSA-N 1 0 313.405 1.983 10 0 DDAERO Cc1ccc(C)c(NC(=O)CN2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000105925045 194170237 /nfs/dbraw/zinc/17/02/37/194170237.db2.gz ZBXKBTWPVLEDQY-OAHLLOKOSA-N 1 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/nfs/dbraw/zinc/26/75/40/194267540.db2.gz DDBVHYONPJFSCO-LBPRGKRZSA-N 1 0 300.472 1.569 10 0 DDAERO CC(C)[NH2+]C[C@H](CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000052951428 183881543 /nfs/dbraw/zinc/88/15/43/183881543.db2.gz OKPHRGCJYQDPOR-GJZGRUSLSA-N 1 0 303.468 1.852 10 0 DDAERO O=S(=O)(NCC[NH+]1CCCC1)c1ccc2c(c1)CCCN2 ZINC000054108985 183924221 /nfs/dbraw/zinc/92/42/21/183924221.db2.gz STYDNONJOHOUMA-UHFFFAOYSA-N 1 0 309.435 1.419 10 0 DDAERO CN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(Cl)cc1F ZINC000110928356 194369928 /nfs/dbraw/zinc/36/99/28/194369928.db2.gz MXUWFQJGPYPUIP-JTQLQIEISA-N 1 0 306.790 1.852 10 0 DDAERO COc1ccc(NC(=O)CN(C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000110929434 194370934 /nfs/dbraw/zinc/37/09/34/194370934.db2.gz AVVOBWXOPZJYSK-GFCCVEGCSA-N 1 0 311.813 1.971 10 0 DDAERO CN(c1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000110932137 194370986 /nfs/dbraw/zinc/37/09/86/194370986.db2.gz PRIRSKCKSUCKPG-NSHDSACASA-N 1 0 304.362 1.871 10 0 DDAERO CCC[NH2+]C[C@@]1([C@H]2CS(=O)(=O)c3ccccc32)CCOC1 ZINC000054664582 183947611 /nfs/dbraw/zinc/94/76/11/183947611.db2.gz YPGBNAUQNPRCBP-HOCLYGCPSA-N 1 0 309.431 1.964 10 0 DDAERO CC[NH2+][C@](C)(CCCC[N@H+](C)CC1CCOCC1)C(=O)[O-] ZINC000111170315 194398300 /nfs/dbraw/zinc/39/83/00/194398300.db2.gz MIJHDRAWGVGQAZ-MRXNPFEDSA-N 1 0 300.443 1.968 10 0 DDAERO CC[NH2+]C[C@H](C)C(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000061232591 184166683 /nfs/dbraw/zinc/16/66/83/184166683.db2.gz ZYHTXMPENWEMNZ-VIFPVBQESA-N 1 0 302.371 1.413 10 0 DDAERO C[NH2+]C(C)(C)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000061318525 184168505 /nfs/dbraw/zinc/16/85/05/184168505.db2.gz XSOVVLPSZYJNJG-UHFFFAOYSA-N 1 0 311.407 1.064 10 0 DDAERO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H](C(N)=S)c1ccccc1 ZINC000061616471 184178470 /nfs/dbraw/zinc/17/84/70/184178470.db2.gz BZQGDHQVBWLURJ-ZIAGYGMSSA-N 1 0 307.463 1.759 10 0 DDAERO CC[NH2+]CCS(=O)(=O)NCc1ccccc1C(F)(F)F ZINC000061627355 184179114 /nfs/dbraw/zinc/17/91/14/184179114.db2.gz UCHLAIGUHHYHMY-UHFFFAOYSA-N 1 0 310.341 1.734 10 0 DDAERO CC[NH2+]CC1([C@H]2CS(=O)(=O)c3ccccc32)CCOCC1 ZINC000061674141 184181592 /nfs/dbraw/zinc/18/15/92/184181592.db2.gz UNHHYZZXMVWRRG-AWEZNQCLSA-N 1 0 309.431 1.964 10 0 DDAERO CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CCN(S(C)(=O)=O)CC1 ZINC000062083856 184204998 /nfs/dbraw/zinc/20/49/98/184204998.db2.gz HSVCECLSKLLJCC-ILXRZTDVSA-N 1 0 317.499 1.120 10 0 DDAERO COCC[NH2+]Cc1cc(Cl)ccc1OCC(=O)N(C)C ZINC000062730996 184251283 /nfs/dbraw/zinc/25/12/83/184251283.db2.gz NPYOUHDIYACHNA-UHFFFAOYSA-N 1 0 300.786 1.543 10 0 DDAERO NC(=[NH2+])c1ccc(Cl)cc1Sc1n[nH]c(=O)n1C1CC1 ZINC000062789277 184253301 /nfs/dbraw/zinc/25/33/01/184253301.db2.gz KVSDULOSKQATBW-UHFFFAOYSA-N 1 0 309.782 1.995 10 0 DDAERO CC[C@]1(C(=O)Nc2ccccc2S(N)(=O)=O)CCC[NH2+]C1 ZINC000062858244 184256868 /nfs/dbraw/zinc/25/68/68/184256868.db2.gz NAJUHHNIZNPFGI-AWEZNQCLSA-N 1 0 311.407 1.052 10 0 DDAERO CCOC(=O)[C@@H]1CSCCN1C(=O)[C@]1(CC)CCC[NH2+]C1 ZINC000062856615 184256941 /nfs/dbraw/zinc/25/69/41/184256941.db2.gz SIXUXOPIEWPQBF-SWLSCSKDSA-N 1 0 314.451 1.273 10 0 DDAERO CC[C@@]1(C(=O)N2CCN(CC(F)(F)F)CC2)CCC[NH2+]C1 ZINC000062859387 184257159 /nfs/dbraw/zinc/25/71/59/184257159.db2.gz RPHNUBNZWUFZMS-CYBMUJFWSA-N 1 0 307.360 1.473 10 0 DDAERO CCC1(CC)CCN(CC[NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000062958857 184262475 /nfs/dbraw/zinc/26/24/75/184262475.db2.gz BSJYVNSTARYJLW-AWEZNQCLSA-N 1 0 302.484 1.665 10 0 DDAERO CC[C@@]1(C(=O)N2CCN(Cc3cccs3)CC2)CC[NH2+]C1 ZINC000062894644 184258889 /nfs/dbraw/zinc/25/88/89/184258889.db2.gz FEGVKSUGJTWGBH-MRXNPFEDSA-N 1 0 307.463 1.782 10 0 DDAERO O=C1CCCN1c1ccc(C[NH2+][C@H]2CCS(=O)(=O)C2)cc1 ZINC000062961224 184262502 /nfs/dbraw/zinc/26/25/02/184262502.db2.gz SJALUOPZTRYUIP-ZDUSSCGKSA-N 1 0 308.403 1.090 10 0 DDAERO NC(=S)C1(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CCCCC1 ZINC000062943001 184261982 /nfs/dbraw/zinc/26/19/82/184261982.db2.gz BXDZGUXAQWCHFF-ZDUSSCGKSA-N 1 0 309.479 1.920 10 0 DDAERO CN(Cc1ccccc1)S(=O)(=O)N[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000063213445 184278359 /nfs/dbraw/zinc/27/83/59/184278359.db2.gz GYGQBTLNFJZFRK-LSDHHAIUSA-N 1 0 311.451 1.613 10 0 DDAERO C[C@@H](C[NH2+]Cc1cccs1)N1CC[C@H](N2CCOCC2)C1 ZINC000062974839 184263719 /nfs/dbraw/zinc/26/37/19/184263719.db2.gz IMXFCTDYHCCBHE-GJZGRUSLSA-N 1 0 309.479 1.633 10 0 DDAERO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(N)cc2C)C1 ZINC000062975680 184263809 /nfs/dbraw/zinc/26/38/09/184263809.db2.gz VJZPLJXNMZZVGI-AWEZNQCLSA-N 1 0 311.451 1.682 10 0 DDAERO Cc1c(N)cccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062975732 184264568 /nfs/dbraw/zinc/26/45/68/184264568.db2.gz UWDCZBHIOWTYCN-CYBMUJFWSA-N 1 0 309.435 1.436 10 0 DDAERO Cn1ncc2c1nc(CSc1ccccc1O)[nH+]c2NN ZINC000063084368 184269757 /nfs/dbraw/zinc/26/97/57/184269757.db2.gz UYZFKPBVNZIIIJ-UHFFFAOYSA-N 1 0 302.363 1.647 10 0 DDAERO [NH3+]Cc1ccc(N(C2CC2)S(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC000063154898 184274262 /nfs/dbraw/zinc/27/42/62/184274262.db2.gz FDKAZMIDRJZAIN-HNNXBMFYSA-N 1 0 310.419 1.623 10 0 DDAERO [NH3+]CC[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCO2)c2ccccc21 ZINC000063156627 184274888 /nfs/dbraw/zinc/27/48/88/184274888.db2.gz XOBIWVUHCCHLJY-OLZOCXBDSA-N 1 0 310.419 1.448 10 0 DDAERO COc1cc(F)c(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH3+])cc1OC ZINC000063175627 184276799 /nfs/dbraw/zinc/27/67/99/184276799.db2.gz KGNVNLWHYWTEPD-UWVGGRQHSA-N 1 0 318.370 1.001 10 0 DDAERO NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C[NH3+])c2)cc1 ZINC000063191082 184277245 /nfs/dbraw/zinc/27/72/45/184277245.db2.gz SSDMGIMWPGNNQQ-UHFFFAOYSA-N 1 0 305.359 1.045 10 0 DDAERO CSC[C@H](C)C[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000069438748 184514902 /nfs/dbraw/zinc/51/49/02/184514902.db2.gz ZGWMHLRGWDMPQY-GHMZBOCLSA-N 1 0 302.465 1.984 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C)Cc1cccs1 ZINC000113518335 194600302 /nfs/dbraw/zinc/60/03/02/194600302.db2.gz IDZPIYXIKUNDSX-UONOGXRCSA-N 1 0 307.463 1.875 10 0 DDAERO C[NH+](C)Cc1ccc(N2CCN(C(=O)c3ccoc3)CC2)nc1 ZINC000114415563 194654795 /nfs/dbraw/zinc/65/47/95/194654795.db2.gz HFROJVUOLFYFMU-UHFFFAOYSA-N 1 0 314.389 1.699 10 0 DDAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000119692019 195018193 /nfs/dbraw/zinc/01/81/93/195018193.db2.gz KPICPLKNIMQMKP-AAEUAGOBSA-N 1 0 302.378 1.965 10 0 DDAERO O=S(=O)(c1nc2ccccc2nc1Cl)[C@H]1CCC[NH2+]C1 ZINC000095069750 285050454 /nfs/dbraw/zinc/05/04/54/285050454.db2.gz QWNNMXYBAJSMPO-VIFPVBQESA-N 1 0 311.794 1.809 10 0 DDAERO C[C@@H]([NH3+])C(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000157224951 197171191 /nfs/dbraw/zinc/17/11/91/197171191.db2.gz ZFSKYJFTCFZCRX-ZCFIWIBFSA-N 1 0 301.140 1.141 10 0 DDAERO CCC[C@@H](C(=O)Nc1ccc(C(=O)N(C)OC)cc1)[NH+](C)C ZINC000155507179 197060807 /nfs/dbraw/zinc/06/08/07/197060807.db2.gz LBWNWTIPUVECNB-AWEZNQCLSA-N 1 0 307.394 1.989 10 0 DDAERO O[C@@H](CN1CC[NH+](CC[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000189156937 285302845 /nfs/dbraw/zinc/30/28/45/285302845.db2.gz KWIJWADQQRAXCU-ROUUACIJSA-N 1 0 304.434 1.907 10 0 DDAERO 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Cn1nnc2cc(C(=O)N[C@@H](C[NH+](C)C)c3ccccc3)cnc21 ZINC000182682334 408222419 /nfs/dbraw/zinc/22/24/19/408222419.db2.gz SWHUPUZJRXQURJ-HNNXBMFYSA-N 1 0 324.388 1.396 10 0 DDAERO O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000246350248 408227720 /nfs/dbraw/zinc/22/77/20/408227720.db2.gz IZBFIGSHYQYCHI-QXSJWSMHSA-N 1 0 307.438 1.824 10 0 DDAERO Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000176241434 408322974 /nfs/dbraw/zinc/32/29/74/408322974.db2.gz QGNKOLURFFQGGW-LBPRGKRZSA-N 1 0 318.421 1.296 10 0 DDAERO C[C@@H]1CN([C@H](CNC(=O)NC2CC2)c2cccs2)CCO1 ZINC000246731347 408328823 /nfs/dbraw/zinc/32/88/23/408328823.db2.gz GQYRAOJZYASIOE-DGCLKSJQSA-N 1 0 309.435 1.972 10 0 DDAERO CC[C@@H]1CN(CCOc2cccc(OC)c2)CC[N@@H+]1C[C@H](C)O ZINC000246481010 408271356 /nfs/dbraw/zinc/27/13/56/408271356.db2.gz ADGYSWAECNYSHT-JKSUJKDBSA-N 1 0 322.449 1.851 10 0 DDAERO Cc1nnc([C@@H]2CN(C(=O)C[C@@H](C)[C@H]3CCC[NH2+]C3)CCO2)[nH]1 ZINC000246522504 408278880 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ZINC000087643035 185229857 /nfs/dbraw/zinc/22/98/57/185229857.db2.gz FGJQEHFFXAMYBO-UHFFFAOYSA-N 1 0 302.407 1.719 10 0 DDAERO CCOC(=O)CN(CCOC)C(=O)[C@@H](C)CCC[C@H](C)[NH3+] ZINC000087696287 185230660 /nfs/dbraw/zinc/23/06/60/185230660.db2.gz CJCBWKVFQVIRDG-STQMWFEESA-N 1 0 302.415 1.178 10 0 DDAERO CCC[NH2+][C@@H]1CCCCC[C@H]1S(=O)(=O)CCC(=O)OC ZINC000081975061 192347596 /nfs/dbraw/zinc/34/75/96/192347596.db2.gz ZLCBUJGNNGJVNX-CHWSQXEVSA-N 1 0 305.440 1.665 10 0 DDAERO C[NH2+][C@@H](CS(=O)(=O)CCC(=O)OC)c1ccc(C)c(C)c1 ZINC000081975378 192347683 /nfs/dbraw/zinc/34/76/83/192347683.db2.gz WXXHJBVKLIMKCC-AWEZNQCLSA-N 1 0 313.419 1.542 10 0 DDAERO CNC(=O)[C@H]1CCCN1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000155836833 539209924 /nfs/dbraw/zinc/20/99/24/539209924.db2.gz PNAVACWULKHBHJ-CABCVRRESA-N 1 0 324.469 1.417 10 0 DDAERO [NH3+]CC[S@@](=O)CC(=O)Nc1cccc(Br)c1 ZINC000088062256 185238603 /nfs/dbraw/zinc/23/86/03/185238603.db2.gz DEAAYAJHIFGCIL-INIZCTEOSA-N 1 0 305.197 1.095 10 0 DDAERO CCn1nc(C)c(Br)c1C[S@@](=O)C[C@H](C)[NH3+] ZINC000088069883 185238737 /nfs/dbraw/zinc/23/87/37/185238737.db2.gz QOONKBXFPLTCMF-HYORBCNSSA-N 1 0 308.245 1.570 10 0 DDAERO CNC(=O)[C@@H]1CCCN1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000156440429 539211091 /nfs/dbraw/zinc/21/10/91/539211091.db2.gz VNHVJOSWKBHHGV-KBPBESRZSA-N 1 0 310.442 1.028 10 0 DDAERO CCC[NH+]1CCN(Cc2ccc(OC)c(C(N)=S)c2)CC1 ZINC000087832397 185232487 /nfs/dbraw/zinc/23/24/87/185232487.db2.gz HVQHWIFXIJMAKB-UHFFFAOYSA-N 1 0 307.463 1.857 10 0 DDAERO NNc1nc(-n2ccc(C(F)(F)F)n2)c(Br)c[nH+]1 ZINC000087867465 185233857 /nfs/dbraw/zinc/23/38/57/185233857.db2.gz GJKCPXANEIUDPF-UHFFFAOYSA-N 1 0 323.076 1.729 10 0 DDAERO C[C@H](Cn1cccn1)Nc1nc(NN)[nH+]cc1Br ZINC000087864847 185233985 /nfs/dbraw/zinc/23/39/85/185233985.db2.gz URVHNYPOGULYMC-SSDOTTSWSA-N 1 0 312.175 1.222 10 0 DDAERO [NH3+]Cc1ccc(NC(=O)[C@@H]2COCCO2)cc1C(F)(F)F ZINC000088191140 185241130 /nfs/dbraw/zinc/24/11/30/185241130.db2.gz XSGAZJRIBFYFFQ-NSHDSACASA-N 1 0 304.268 1.518 10 0 DDAERO Cc1cc(C)c(NC(=O)CCC[N@@H+]2C[C@H](O)C[C@@H]2CO)c(C)c1 ZINC000185144260 539245354 /nfs/dbraw/zinc/24/53/54/539245354.db2.gz BAFRQUKZDPJYKH-HZPDHXFCSA-N 1 0 320.433 1.758 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC000182982629 539240658 /nfs/dbraw/zinc/24/06/58/539240658.db2.gz FOLHHCLLZFEUPK-OAHLLOKOSA-N 1 0 315.417 1.666 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)C(C)C ZINC000183636717 539242787 /nfs/dbraw/zinc/24/27/87/539242787.db2.gz NXNKABGPKUUJEO-CQSZACIVSA-N 1 0 311.813 1.316 10 0 DDAERO O=S(=O)(C[C@H]1CCCO1)N1CC[NH2+]CC12CCCCC2 ZINC000088396183 185248453 /nfs/dbraw/zinc/24/84/53/185248453.db2.gz RSTDVQKPGLNPHI-CYBMUJFWSA-N 1 0 302.440 1.103 10 0 DDAERO C[C@](CC[NH+]1CCC(C(F)(F)F)CC1)(NC1CC1)C(N)=O ZINC000088435435 185250386 /nfs/dbraw/zinc/25/03/86/185250386.db2.gz CHMGDNWELNGHHY-CYBMUJFWSA-N 1 0 307.360 1.647 10 0 DDAERO COC[C@H]1CCN(S(=O)(=O)c2ccc(C[NH2+]C(C)C)o2)C1 ZINC000088551393 185257391 /nfs/dbraw/zinc/25/73/91/185257391.db2.gz HWFPHEIWCVMSHC-LBPRGKRZSA-N 1 0 316.423 1.435 10 0 DDAERO C[NH2+][C@@H](Cc1nc2ccccc2s1)[C@H]1CCS(=O)(=O)C1 ZINC000088518770 185254632 /nfs/dbraw/zinc/25/46/32/185254632.db2.gz KECCUKVYNPOIDO-JQWIXIFHSA-N 1 0 310.444 1.862 10 0 DDAERO COC[C@@H](C)NS(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000088541982 185256351 /nfs/dbraw/zinc/25/63/51/185256351.db2.gz BIUJOQKOCOYVET-SNVBAGLBSA-N 1 0 304.412 1.481 10 0 DDAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H](CCC)COC)o1 ZINC000088551323 185257648 /nfs/dbraw/zinc/25/76/48/185257648.db2.gz DROYYGVMJZLRHA-LBPRGKRZSA-N 1 0 318.439 1.873 10 0 DDAERO C[C@H](C[NH+]1CCCC1)NC(=O)c1sc2nccnc2c1N ZINC000088641862 185261002 /nfs/dbraw/zinc/26/10/02/185261002.db2.gz CRWXGXYDXDOWBF-SECBINFHSA-N 1 0 305.407 1.488 10 0 DDAERO Cc1nn(C)c2sc(C(=O)N[C@H](C)CC[NH+](C)C)c(N)c12 ZINC000088641982 185261115 /nfs/dbraw/zinc/26/11/15/185261115.db2.gz TXDQMPAWUSJYFS-MRVPVSSYSA-N 1 0 309.439 1.595 10 0 DDAERO CCc1cc(N2CC[NH+](C(C)(C)C(N)=S)CC2)nc(C)n1 ZINC000088760030 185264528 /nfs/dbraw/zinc/26/45/28/185264528.db2.gz UMRLUCMFOWSQGQ-UHFFFAOYSA-N 1 0 307.467 1.534 10 0 DDAERO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cccc(CO)c2)C1 ZINC000088873246 185267719 /nfs/dbraw/zinc/26/77/19/185267719.db2.gz RXWMVRCBCHFKKB-AWEZNQCLSA-N 1 0 312.435 1.284 10 0 DDAERO C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)C1 ZINC000248126749 539271586 /nfs/dbraw/zinc/27/15/86/539271586.db2.gz NZQICIUBTGSHGB-VYDXJSESSA-N 1 0 309.454 1.665 10 0 DDAERO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccsc2CO)CC1 ZINC000088891794 185269636 /nfs/dbraw/zinc/26/96/36/185269636.db2.gz YXMNWRNVPBXTTR-UHFFFAOYSA-N 1 0 318.464 1.345 10 0 DDAERO C[NH2+][C@@H](C[S@@](=O)CCCOC)c1ccc2c(c1)OCCO2 ZINC000081999397 192353008 /nfs/dbraw/zinc/35/30/08/192353008.db2.gz PZHKPQWRXQLTBW-YEJXKQKISA-N 1 0 313.419 1.504 10 0 DDAERO COc1cc(CN(C)C2C[NH2+]C2)c(OC)cc1Br ZINC000090290256 185289581 /nfs/dbraw/zinc/28/95/81/185289581.db2.gz OLTWIIQTYPZXKV-UHFFFAOYSA-N 1 0 315.211 1.870 10 0 DDAERO CCN(CCS(=O)(=O)c1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000090291919 185289583 /nfs/dbraw/zinc/28/95/83/185289583.db2.gz JKIXGTDZXHNLRT-UHFFFAOYSA-N 1 0 302.827 1.407 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1cccc(Cl)c1 ZINC000090336939 185291893 /nfs/dbraw/zinc/29/18/93/185291893.db2.gz OUOSSHNBQKQPNJ-ZWNOBZJWSA-N 1 0 314.838 1.959 10 0 DDAERO COc1ccc(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@@H]3C2(C)C)cc1 ZINC000090336900 185291903 /nfs/dbraw/zinc/29/19/03/185291903.db2.gz NTRNZNYNZAMJBU-FZMZJTMJSA-N 1 0 310.419 1.314 10 0 DDAERO [NH3+][C@@H]1COC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000090364339 185292839 /nfs/dbraw/zinc/29/28/39/185292839.db2.gz ZOLAFAYSBRBIDV-WDEREUQCSA-N 1 0 324.178 1.864 10 0 DDAERO O=C(C[NH+]1CCC(Cn2cccn2)CC1)NCc1ccccc1 ZINC000090473337 185298517 /nfs/dbraw/zinc/29/85/17/185298517.db2.gz GRKURHZGPRYOOK-UHFFFAOYSA-N 1 0 312.417 1.912 10 0 DDAERO [NH3+][C@@H]1COC[C@H]1C(=O)Nc1cccc(Cl)c1-n1ccnc1 ZINC000090379726 185293777 /nfs/dbraw/zinc/29/37/77/185293777.db2.gz IFNUSTFJQMTMHY-MWLCHTKSSA-N 1 0 306.753 1.438 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(NC(C)=O)c(Cl)c1 ZINC000090433156 185296137 /nfs/dbraw/zinc/29/61/37/185296137.db2.gz WLRDCTKBITVYEH-MFKMUULPSA-N 1 0 311.769 1.471 10 0 DDAERO C[C@@]1(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)COC[C@@H]1[NH3+] ZINC000090580672 185304921 /nfs/dbraw/zinc/30/49/21/185304921.db2.gz ZEZOWTPLJVJOJE-CMPLNLGQSA-N 1 0 300.261 1.310 10 0 DDAERO C[C@]1(C(=O)Nc2ccc(F)cc2Br)COC[C@H]1[NH3+] ZINC000090582231 185304995 /nfs/dbraw/zinc/30/49/95/185304995.db2.gz WRNCVLFTRDODTE-PWSUYJOCSA-N 1 0 317.158 1.891 10 0 DDAERO O=C(/C=C\c1ccc2c(c1)OCO2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000255073858 282230707 /nfs/dbraw/zinc/23/07/07/282230707.db2.gz BUEQSWPVKHBQPT-KXQLTZBTSA-N 1 0 300.358 1.735 10 0 DDAERO Cc1noc(C)c1[C@H](C)NS(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000092339900 185312907 /nfs/dbraw/zinc/31/29/07/185312907.db2.gz AASYGWQEXBUQFY-AAEUAGOBSA-N 1 0 315.439 1.804 10 0 DDAERO COCC[NH2+]CC(=O)Nc1ccc(F)cc1Br ZINC000092495173 185322389 /nfs/dbraw/zinc/32/23/89/185322389.db2.gz QGNKWVKTJCRULS-UHFFFAOYSA-N 1 0 305.147 1.763 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(C)c(N)c1 ZINC000092622780 185329593 /nfs/dbraw/zinc/32/95/93/185329593.db2.gz BPQBRDDUPOCBAM-CYBMUJFWSA-N 1 0 311.451 1.682 10 0 DDAERO Cc1cc(N)cc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1C ZINC000092621910 185330117 /nfs/dbraw/zinc/33/01/17/185330117.db2.gz KMAYFDIKLGNDIC-CQSZACIVSA-N 1 0 311.451 1.600 10 0 DDAERO C[C@H]1c2ccsc2CCN1C(=O)c1cn(C2C[NH2+]C2)nn1 ZINC000092701549 185333672 /nfs/dbraw/zinc/33/36/72/185333672.db2.gz IOOSLGOLUDCPPT-VIFPVBQESA-N 1 0 303.391 1.243 10 0 DDAERO CCOC(=O)c1c(C)nsc1NCC[N@H+](C)CCOC ZINC000092913134 185348609 /nfs/dbraw/zinc/34/86/09/185348609.db2.gz SICUJDPNEKHCFD-UHFFFAOYSA-N 1 0 301.412 1.618 10 0 DDAERO Cc1ccn(C)c(=O)c1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000092928237 185349378 /nfs/dbraw/zinc/34/93/78/185349378.db2.gz AAAAXCVCVDLAGL-STQMWFEESA-N 1 0 304.394 1.394 10 0 DDAERO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(Cl)c1-n1cncn1 ZINC000092952719 185350392 /nfs/dbraw/zinc/35/03/92/185350392.db2.gz SFLIRBQIVLRVDO-NXEZZACHSA-N 1 0 305.769 1.857 10 0 DDAERO COC(=O)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000181629671 199329612 /nfs/dbraw/zinc/32/96/12/199329612.db2.gz AKNRNNOBKQHIDE-RKDXNWHRSA-N 1 0 300.305 1.293 10 0 DDAERO CC[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000111719372 185630819 /nfs/dbraw/zinc/63/08/19/185630819.db2.gz VMRATUQDLLLKTN-NSHDSACASA-N 1 0 318.389 1.975 10 0 DDAERO CC(C)C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cn(C)cn1 ZINC000111721203 185631389 /nfs/dbraw/zinc/63/13/89/185631389.db2.gz RSAFVRMEKKQYCK-ZDUSSCGKSA-N 1 0 314.455 1.209 10 0 DDAERO CCC[C@@H](C(=O)NCCCNC(=O)OC(C)(C)C)[NH+](C)C ZINC000162006181 290791889 /nfs/dbraw/zinc/79/18/89/290791889.db2.gz HXSZGURDOACIMW-LBPRGKRZSA-N 1 0 301.431 1.748 10 0 DDAERO CS(=O)(=O)c1cnn([C@@H](C[NH3+])c2ccc(Cl)s2)c1 ZINC000725253237 539569246 /nfs/dbraw/zinc/56/92/46/539569246.db2.gz SDFMMUKWDQVRRQ-QMMMGPOBSA-N 1 0 305.812 1.550 10 0 DDAERO C[C@H]1C[N@H+](Cc2cnc(N)s2)CC[C@H]1NC(=O)C1(C)CC1 ZINC000725273092 539570793 /nfs/dbraw/zinc/57/07/93/539570793.db2.gz ZACPSSVIUYXGMR-CMPLNLGQSA-N 1 0 308.451 1.852 10 0 DDAERO CC(C)NS(=O)(=O)c1ccccc1N[C@H]1CCCC[NH2+]C1 ZINC000070121268 190859418 /nfs/dbraw/zinc/85/94/18/190859418.db2.gz FCWTWIRSNBEAKG-ZDUSSCGKSA-N 1 0 311.451 1.927 10 0 DDAERO C[C@H]1CCC[C@@H](C[NH3+])N1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000070153696 190863237 /nfs/dbraw/zinc/86/32/37/190863237.db2.gz WAVHCZDVGAHNFQ-QWRGUYRKSA-N 1 0 308.407 1.453 10 0 DDAERO COCCN1C(=O)C[C@H]([NH3+])[C@H]1c1ccccc1Br ZINC000070294617 190878298 /nfs/dbraw/zinc/87/82/98/190878298.db2.gz BTCNRXZBIZFDFK-WCQYABFASA-N 1 0 313.195 1.696 10 0 DDAERO C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2C[NH3+])CC(C)(C)O1 ZINC000070394855 190885002 /nfs/dbraw/zinc/88/50/02/190885002.db2.gz UFTDNVDWZWPBQI-SNVBAGLBSA-N 1 0 316.398 1.472 10 0 DDAERO CCc1nc(S(=O)(=O)N2CCCC[C@H]2CC[NH2+]C)c[nH]1 ZINC000070420485 190889190 /nfs/dbraw/zinc/88/91/90/190889190.db2.gz RRRJRYZOHCZEMG-NSHDSACASA-N 1 0 300.428 1.125 10 0 DDAERO FC(F)(F)c1cccc(-n2nncc2CN2CC[NH2+]CC2)c1 ZINC000070460989 190899297 /nfs/dbraw/zinc/89/92/97/190899297.db2.gz GMUSFJMSNCTTCC-UHFFFAOYSA-N 1 0 311.311 1.691 10 0 DDAERO C[C@H](Oc1ccc(C[NH3+])cc1Br)C(=O)N(C)C ZINC000070579925 190907985 /nfs/dbraw/zinc/90/79/85/190907985.db2.gz FIFZEZRZHJNCFO-QMMMGPOBSA-N 1 0 301.184 1.763 10 0 DDAERO CC[C@@H](C[NH3+])NC(=O)c1cccc(I)c1 ZINC000083566059 192373521 /nfs/dbraw/zinc/37/35/21/192373521.db2.gz DTXUJYQZDTWBEX-JTQLQIEISA-N 1 0 318.158 1.758 10 0 DDAERO CC(C)C[C@H]1CN(CCCS(C)(=O)=O)[C@H](C(C)C)C[NH2+]1 ZINC000071350532 190962161 /nfs/dbraw/zinc/96/21/61/190962161.db2.gz DTSJFCPSFTZUOK-GJZGRUSLSA-N 1 0 304.500 1.766 10 0 DDAERO [NH3+]CCc1nc2cc(F)ccc2n1CC(=O)NC1CCCC1 ZINC000071663587 191000704 /nfs/dbraw/zinc/00/07/04/191000704.db2.gz OLUMDBHKOMXQEE-UHFFFAOYSA-N 1 0 304.369 1.735 10 0 DDAERO CN(C)c1cccc2c1CN(CCCN1CCOCC1)[C@H]2C[NH3+] ZINC000071683410 191007234 /nfs/dbraw/zinc/00/72/34/191007234.db2.gz AAAKRMWIEMJAEX-SFHVURJKSA-N 1 0 318.465 1.290 10 0 DDAERO O=C(NC[C@@H](O)CN1CCOCC1)c1cccc2ccccc21 ZINC000141695243 186030277 /nfs/dbraw/zinc/03/02/77/186030277.db2.gz VMKWFCHWLPSXKB-OAHLLOKOSA-N 1 0 314.385 1.263 10 0 DDAERO O=C(NCCc1ccc(O)cc1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262878434 186317944 /nfs/dbraw/zinc/31/79/44/186317944.db2.gz YQPXRLCZSUZQCA-CQSZACIVSA-N 1 0 314.389 1.486 10 0 DDAERO O=C(NCCc1ccc2c(c1)CCO2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000172077562 198035379 /nfs/dbraw/zinc/03/53/79/198035379.db2.gz DMPCBZZJSAIHGF-INIZCTEOSA-N 1 0 315.417 1.654 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H](O)COc1ccccc1F ZINC000172111208 198041299 /nfs/dbraw/zinc/04/12/99/198041299.db2.gz NSUQZEHFIRCUSO-KFWWJZLASA-N 1 0 308.397 1.734 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(Cc2nnc(-c3ccccc3)o2)CC1 ZINC000172355515 198084121 /nfs/dbraw/zinc/08/41/21/198084121.db2.gz CTMSMTYGCFQRSE-OAHLLOKOSA-N 1 0 316.405 1.625 10 0 DDAERO CCNC(=O)C(=O)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC000043940874 352377149 /nfs/dbraw/zinc/37/71/49/352377149.db2.gz GZVOUUHBYNFLOY-UHFFFAOYSA-N 1 0 309.435 1.212 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)NC(=O)Nc2ccccc2)C1 ZINC000060416589 352872320 /nfs/dbraw/zinc/87/23/20/352872320.db2.gz RFPQZMKIMFBZAD-ZFWWWQNUSA-N 1 0 318.421 1.797 10 0 DDAERO O=C(c1cn(Cc2cccs2)nn1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000173402711 198211509 /nfs/dbraw/zinc/21/15/09/198211509.db2.gz UYVJLCCQPKKRLI-LBPRGKRZSA-N 1 0 317.418 1.308 10 0 DDAERO C[C@@H](CCNC(=O)[C@@H]1CNC(=O)C1)[N@H+](C)Cc1ccccc1 ZINC000173597025 198231028 /nfs/dbraw/zinc/23/10/28/198231028.db2.gz QGISJSGNDYJVJF-ZFWWWQNUSA-N 1 0 303.406 1.149 10 0 DDAERO CC(C)[N@H+]1C[C@H](NS(=O)(=O)Cc2ccccc2F)[C@@H](C)C1 ZINC000174004390 198279315 /nfs/dbraw/zinc/27/93/15/198279315.db2.gz AKNZWZWCJMEGFN-WFASDCNBSA-N 1 0 314.426 1.974 10 0 DDAERO CCNC(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000174019054 198281835 /nfs/dbraw/zinc/28/18/35/198281835.db2.gz CFSZQOMVYCJRSA-MRXNPFEDSA-N 1 0 305.422 1.751 10 0 DDAERO NC(=O)NC(=O)CCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000174379673 198327289 /nfs/dbraw/zinc/32/72/89/198327289.db2.gz RAVPZUHYAHJHRB-LSDHHAIUSA-N 1 0 319.405 1.550 10 0 DDAERO FC(F)(F)c1ccnc(N2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000261698437 282929281 /nfs/dbraw/zinc/92/92/81/282929281.db2.gz NWRIDWORSIGEEN-GFCCVEGCSA-N 1 0 300.328 1.584 10 0 DDAERO CN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1F ZINC000226465120 354319737 /nfs/dbraw/zinc/31/97/37/354319737.db2.gz HAGMIUQATQRIPD-LLVKDONJSA-N 1 0 304.362 1.727 10 0 DDAERO Cc1nnc([C@@H](C)N(C)C[C@@H]2C[C@H](F)CN2c2cccnn2)o1 ZINC000328645641 354558326 /nfs/dbraw/zinc/55/83/26/354558326.db2.gz SEOOPFQZXNNCGY-WXHSDQCUSA-N 1 0 320.372 1.778 10 0 DDAERO CSc1ccccc1NC(=O)CN(C)C(=O)[C@H]1CCC[NH2+]1 ZINC000073343528 191306196 /nfs/dbraw/zinc/30/61/96/191306196.db2.gz SPPKFFSDTKCEGQ-GFCCVEGCSA-N 1 0 307.419 1.557 10 0 DDAERO OCCN1CCC[C@@H]([NH2+]Cc2ccccc2Br)C1 ZINC000384559309 354630132 /nfs/dbraw/zinc/63/01/32/354630132.db2.gz JQXGMCOQVOBEDY-CYBMUJFWSA-N 1 0 313.239 1.995 10 0 DDAERO CCN(Cc1ccccc1)C(=O)CN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000403979124 354671567 /nfs/dbraw/zinc/67/15/67/354671567.db2.gz DMALRBKUUSNYJN-IAGOWNOFSA-N 1 0 317.433 1.098 10 0 DDAERO O=[N+]([O-])N=c1nc(-c2ccccn2)cc(NC2CC[NH2+]CC2)[nH]1 ZINC000073663082 191338724 /nfs/dbraw/zinc/33/87/24/191338724.db2.gz VFVAUHMDYNSMLO-UHFFFAOYSA-N 1 0 315.337 1.306 10 0 DDAERO C[C@H]1Sc2ccc(CC(=O)NCC[NH+](C)C)cc2NC1=O ZINC000074971771 191399045 /nfs/dbraw/zinc/39/90/45/191399045.db2.gz OMLPWXYNSPBQMS-SNVBAGLBSA-N 1 0 307.419 1.340 10 0 DDAERO CCC[C@@H](COC)NS(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000079745001 191968136 /nfs/dbraw/zinc/96/81/36/191968136.db2.gz VLXDGUREAROVIG-AWEZNQCLSA-N 1 0 300.424 1.380 10 0 DDAERO C[C@@H](C(N)=[NH2+])N(C)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000079799921 191973733 /nfs/dbraw/zinc/97/37/33/191973733.db2.gz 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/nfs/dbraw/zinc/49/47/67/192494767.db2.gz NHRHNOMKEYUPGM-QGZVFWFLSA-N 1 0 306.406 1.978 10 0 DDAERO CCC[NH2+]C[C@@H](C)CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000081538268 192286078 /nfs/dbraw/zinc/28/60/78/192286078.db2.gz ZKDBIWKWWWVTGE-SNVBAGLBSA-N 1 0 305.348 1.748 10 0 DDAERO Clc1cc(C[NH2+]C2CC2)cnc1N1CCn2cnnc2C1 ZINC000081542643 192288114 /nfs/dbraw/zinc/28/81/14/192288114.db2.gz VCLQGJVNRKNADP-UHFFFAOYSA-N 1 0 304.785 1.599 10 0 DDAERO CC[NH2+][C@H]1CCCc2nc(N3CCn4cnnc4C3)sc21 ZINC000081547916 192288311 /nfs/dbraw/zinc/28/83/11/192288311.db2.gz SBBYEXGMVLLWTO-JTQLQIEISA-N 1 0 304.423 1.742 10 0 DDAERO CC(C)[C@H](C[NH+](C)C)NS(=O)(=O)c1cnc(N)c(Cl)c1 ZINC000081693693 192314034 /nfs/dbraw/zinc/31/40/34/192314034.db2.gz JNPGKNFZBREBAW-NSHDSACASA-N 1 0 320.846 1.182 10 0 DDAERO CC[C@@](C)(C[NH3+])Nc1ncncc1I ZINC000085480769 192513553 /nfs/dbraw/zinc/51/35/53/192513553.db2.gz SCKAJQMJJZIALC-VIFPVBQESA-N 1 0 306.151 1.621 10 0 DDAERO CS(=O)(=O)CCCN1C[C@@H](C2CC2)[NH2+]CC12CCCC2 ZINC000085529052 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C[NH+](C)C(C)(C)CNS(=O)(=O)c1c[nH]c2cc(N)ccc21 ZINC000091500530 193065035 /nfs/dbraw/zinc/06/50/35/193065035.db2.gz HDFLXEQPOYCNKF-UHFFFAOYSA-N 1 0 310.423 1.369 10 0 DDAERO CCn1nc(C)c(Cl)c1CC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091689245 193092030 /nfs/dbraw/zinc/09/20/30/193092030.db2.gz LUUQMNKOFYETMY-RISCZKNCSA-N 1 0 311.813 1.840 10 0 DDAERO CC[NH2+][C@H](Cc1c(Br)c(CC)nn1C)CN(C)C ZINC000091719759 193097449 /nfs/dbraw/zinc/09/74/49/193097449.db2.gz CSJBDIPEEDACAN-SNVBAGLBSA-N 1 0 317.275 1.827 10 0 DDAERO CS(=O)(=O)CCC[C@H](O)C1([NH+]2CCCCC2)CCCC1 ZINC000091641612 193082468 /nfs/dbraw/zinc/08/24/68/193082468.db2.gz WLMWUWVOEVHJNC-AWEZNQCLSA-N 1 0 303.468 1.971 10 0 DDAERO O=c1cc(C[NH2+]C[C@@H](O)c2ccccn2)[nH]c2ccc(F)cc12 ZINC000091871991 193120837 /nfs/dbraw/zinc/12/08/37/193120837.db2.gz XPQVYTXPTFPIAL-QGZVFWFLSA-N 1 0 313.332 1.885 10 0 DDAERO Cc1cc(N)cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000092001348 193139106 /nfs/dbraw/zinc/13/91/06/193139106.db2.gz LTVQEUXXXLMOEG-KGLIPLIRSA-N 1 0 309.435 1.434 10 0 DDAERO C[NH2+]Cc1cc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)cn1C1CC1 ZINC000092113666 193161553 /nfs/dbraw/zinc/16/15/53/193161553.db2.gz VUFMTMZJOMBINC-RYUDHWBXSA-N 1 0 311.451 1.819 10 0 DDAERO Cc1ncc(CNS(=O)(=O)c2ccc(C[NH3+])cc2F)s1 ZINC000092115938 193163779 /nfs/dbraw/zinc/16/37/79/193163779.db2.gz TWTZMTNWZNXMTL-UHFFFAOYSA-N 1 0 315.395 1.528 10 0 DDAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000092202702 193173273 /nfs/dbraw/zinc/17/32/73/193173273.db2.gz WGYBRZDDFIUDHX-BDAKNGLRSA-N 1 0 316.329 1.525 10 0 DDAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC2(c3ccccc3)CCC2)cn1 ZINC000261855437 203135403 /nfs/dbraw/zinc/13/54/03/203135403.db2.gz BPSUNKTZGVSEAY-SJORKVTESA-N 1 0 324.428 1.919 10 0 DDAERO [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@@H](O)c2c(F)cccc2Cl)O1 ZINC000261914520 203150434 /nfs/dbraw/zinc/15/04/34/203150434.db2.gz XYHJJJKSPDARKZ-FXAINCCUSA-N 1 0 316.760 1.135 10 0 DDAERO C[C@H]1C[C@@H](C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)CC[NH2+]1 ZINC000262437790 203294681 /nfs/dbraw/zinc/29/46/81/203294681.db2.gz XNKBFDIATCZYIH-BYNSBNAKSA-N 1 0 322.405 1.319 10 0 DDAERO COCC[NH2+]C[C@@H](c1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000093179381 193212892 /nfs/dbraw/zinc/21/28/92/193212892.db2.gz DCXUDHBJMWNMOS-GXTWGEPZSA-N 1 0 315.410 1.580 10 0 DDAERO Cc1noc(C)c1COc1ccccc1C(=O)N[C@@H](C)C[NH3+] ZINC000262536864 203323418 /nfs/dbraw/zinc/32/34/18/203323418.db2.gz PZOQKLYENPWDRS-JTQLQIEISA-N 1 0 303.362 1.947 10 0 DDAERO COCCOCC[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000093208080 193216535 /nfs/dbraw/zinc/21/65/35/193216535.db2.gz HHEXLWSCMNXZCC-STQMWFEESA-N 1 0 302.415 1.685 10 0 DDAERO CC(C)CN1C(=[NH2+])NC[C@@]1(C)c1ccc(S(C)(=O)=O)cc1 ZINC000093375608 193240356 /nfs/dbraw/zinc/24/03/56/193240356.db2.gz KKKFJQKWEROYKD-HNNXBMFYSA-N 1 0 309.435 1.592 10 0 DDAERO C[NH2+]CCCN(C)S(=O)(=O)N(C)[C@@H](C)Cc1cccs1 ZINC000093294612 193226367 /nfs/dbraw/zinc/22/63/67/193226367.db2.gz LXXPDVQMDXXQSC-LBPRGKRZSA-N 1 0 319.496 1.397 10 0 DDAERO CCOC(C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)OCC ZINC000093447498 193253364 /nfs/dbraw/zinc/25/33/64/193253364.db2.gz OKJJIUNSDGIZRL-LLVKDONJSA-N 1 0 316.423 1.384 10 0 DDAERO CC[C@H](C)N1C(=[NH2+])NC[C@@]1(C)c1ccc(S(C)(=O)=O)cc1 ZINC000093380736 193240979 /nfs/dbraw/zinc/24/09/79/193240979.db2.gz AQYIUFXLZPYEMS-NHYWBVRUSA-N 1 0 309.435 1.734 10 0 DDAERO CN(C)S(=O)(=O)c1ccc(C(=O)C[C@@H]2CCCC[NH2+]2)cc1 ZINC000093487697 193258667 /nfs/dbraw/zinc/25/86/67/193258667.db2.gz REBYKCGIBZPUQO-ZDUSSCGKSA-N 1 0 310.419 1.652 10 0 DDAERO CCCCCCOC[C@@H](O)C[NH2+]CC(C)(C)S(C)(=O)=O ZINC000093519769 193262626 /nfs/dbraw/zinc/26/26/26/193262626.db2.gz COZDGHWKIZAJNN-ZDUSSCGKSA-N 1 0 309.472 1.357 10 0 DDAERO C[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000093520757 193263205 /nfs/dbraw/zinc/26/32/05/193263205.db2.gz ZMTUJSCPCJZFQR-SECBINFHSA-N 1 0 311.407 1.330 10 0 DDAERO CC(C)(CCCO)CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262710451 203389291 /nfs/dbraw/zinc/38/92/91/203389291.db2.gz FIAFQSWOHBHMEC-ZDUSSCGKSA-N 1 0 308.426 1.336 10 0 DDAERO C[C@@H]([NH3+])c1ccc(NC(=O)NCC(C)(C)S(C)(=O)=O)cc1 ZINC000093535729 193266026 /nfs/dbraw/zinc/26/60/26/193266026.db2.gz SFNCPZJHFBJJST-SNVBAGLBSA-N 1 0 313.423 1.651 10 0 DDAERO Cn1cnnc1SCC[C@@H]1CCC[C@]1([NH2+]C1CC1)C(N)=O ZINC000093629204 193276343 /nfs/dbraw/zinc/27/63/43/193276343.db2.gz ZXNXIWAUQIHARJ-IINYFYTJSA-N 1 0 309.439 1.074 10 0 DDAERO Cc1cccc(C[C@@H]([NH3+])C[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000093700144 193294164 /nfs/dbraw/zinc/29/41/64/193294164.db2.gz HOLRMKZGZFMRAT-HZPDHXFCSA-N 1 0 310.463 1.927 10 0 DDAERO CC[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCCO1 ZINC000093700542 193294178 /nfs/dbraw/zinc/29/41/78/193294178.db2.gz HMFHPCOUWFHMMS-MJBXVCDLSA-N 1 0 304.456 1.205 10 0 DDAERO CCC(CC)([C@@H](N)C[C@H]1CCCN(S(C)(=O)=O)C1)[NH+](C)C ZINC000093700734 193294869 /nfs/dbraw/zinc/29/48/69/193294869.db2.gz XFDPAPCOZQKHHS-KGLIPLIRSA-N 1 0 319.515 1.496 10 0 DDAERO CC[C@@H]([NH3+])Cc1cccn1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701798 193294910 /nfs/dbraw/zinc/29/49/10/193294910.db2.gz CQVZMLMTYOOSHD-ZIAGYGMSSA-N 1 0 313.467 1.440 10 0 DDAERO CC[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)OC ZINC000093700795 193295176 /nfs/dbraw/zinc/29/51/76/193295176.db2.gz RWJRJNYETALJMC-STQMWFEESA-N 1 0 306.472 1.451 10 0 DDAERO CC[NH2+][C@@H](C)C1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000093664613 193286286 /nfs/dbraw/zinc/28/62/86/193286286.db2.gz TZGNVONWAGQTCC-ZDUSSCGKSA-N 1 0 306.472 1.451 10 0 DDAERO CCn1nc(C)c(Cl)c1C[C@@H](O)[C@@H]1C[N@H+](C)CCN1C ZINC000093893739 193323643 /nfs/dbraw/zinc/32/36/43/193323643.db2.gz XGUZPCHGYOFFPE-QWHCGFSZSA-N 1 0 300.834 1.014 10 0 DDAERO CCCN(CC(C)(C)C[NH3+])S(=O)(=O)CCc1ccccn1 ZINC000093890999 193324218 /nfs/dbraw/zinc/32/42/18/193324218.db2.gz GSWBMJMVYRRDHC-UHFFFAOYSA-N 1 0 313.467 1.651 10 0 DDAERO CCc1nc(S(=O)(=O)N(CC2CC[NH2+]CC2)C(C)C)c[nH]1 ZINC000094024091 193339329 /nfs/dbraw/zinc/33/93/29/193339329.db2.gz VIKYBIWFXAPZPA-UHFFFAOYSA-N 1 0 314.455 1.371 10 0 DDAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1F)N(C)CCS(C)(=O)=O ZINC000094297120 193356548 /nfs/dbraw/zinc/35/65/48/193356548.db2.gz FRHAAQFZNTVMRY-ZIAGYGMSSA-N 1 0 302.415 1.581 10 0 DDAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)s1)N(C)CCS(C)(=O)=O ZINC000094297524 193357138 /nfs/dbraw/zinc/35/71/38/193357138.db2.gz OGZYCHTURHCYDI-DGCLKSJQSA-N 1 0 304.481 1.811 10 0 DDAERO CC[NH2+][C@@H](CN(C)CCS(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000094298544 193357946 /nfs/dbraw/zinc/35/79/46/193357946.db2.gz XFXDARPYHSUHHS-INIZCTEOSA-N 1 0 312.479 1.930 10 0 DDAERO CC[NH2+][C@H](CN(C)CCS(C)(=O)=O)c1cccc(OC)c1 ZINC000094298480 193358060 /nfs/dbraw/zinc/35/80/60/193358060.db2.gz GNUAHACKAFBWCZ-OAHLLOKOSA-N 1 0 314.451 1.322 10 0 DDAERO CCC[NH2+]Cc1nc(N(C)CCS(C)(=O)=O)ccc1Cl ZINC000094300757 193358390 /nfs/dbraw/zinc/35/83/90/193358390.db2.gz WLKCDHIXKPDADG-UHFFFAOYSA-N 1 0 319.858 1.715 10 0 DDAERO CCC[NH2+][C@@H](C)c1csc(N(C)CCS(C)(=O)=O)n1 ZINC000094301113 193358663 /nfs/dbraw/zinc/35/86/63/193358663.db2.gz RFZOTSKHZBFWAM-JTQLQIEISA-N 1 0 305.469 1.685 10 0 DDAERO CC[NH2+][C@H](c1ccccc1)[C@H](C)CN(C)CCS(C)(=O)=O ZINC000094300499 193358761 /nfs/dbraw/zinc/35/87/61/193358761.db2.gz AWBFMTRPZHYFIS-ZBFHGGJFSA-N 1 0 312.479 1.950 10 0 DDAERO CC[NH2+][C@@H](c1ccccc1)[C@H](C)CN(C)CCS(C)(=O)=O ZINC000094300498 193358928 /nfs/dbraw/zinc/35/89/28/193358928.db2.gz AWBFMTRPZHYFIS-GDBMZVCRSA-N 1 0 312.479 1.950 10 0 DDAERO CCN(CC(C)(C)O)c1nc(C(F)(F)F)ccc1C(N)=[NH2+] ZINC000094336782 193361276 /nfs/dbraw/zinc/36/12/76/193361276.db2.gz FKHIEMLZXYUTFQ-UHFFFAOYSA-N 1 0 304.316 1.982 10 0 DDAERO C[C@@H]1CN(C(=O)c2cc(Br)cn2C)CC[C@H]1[NH3+] ZINC000094339433 193361933 /nfs/dbraw/zinc/36/19/33/193361933.db2.gz NLSGSSSKDFEKMS-PSASIEDQSA-N 1 0 300.200 1.597 10 0 DDAERO COCCCNC(=O)[C@@H](C)Oc1c(F)cc(C[NH3+])cc1F ZINC000094345964 193363725 /nfs/dbraw/zinc/36/37/25/193363725.db2.gz FHTNNCSFJHNCRV-SECBINFHSA-N 1 0 302.321 1.344 10 0 DDAERO Cc1cc(N)c(C)c(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000094358933 193365269 /nfs/dbraw/zinc/36/52/69/193365269.db2.gz ILBWDNYHJYHCOV-ZDUSSCGKSA-N 1 0 311.451 1.600 10 0 DDAERO CCN([C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638817 193388257 /nfs/dbraw/zinc/38/82/57/193388257.db2.gz XXEGFIGGWQOQQV-APIJFGDWSA-N 1 0 302.484 1.792 10 0 DDAERO CC(C)(C)[NH2+]Cc1ncnn1[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094644066 193389436 /nfs/dbraw/zinc/38/94/36/193389436.db2.gz SHFCCXYRXKVXPL-RYUDHWBXSA-N 1 0 314.455 1.695 10 0 DDAERO CC(C)C[NH2+]Cc1ncnn1[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094644071 193389807 /nfs/dbraw/zinc/38/98/07/193389807.db2.gz XVBGCZIXMICRNH-CHWSQXEVSA-N 1 0 314.455 1.552 10 0 DDAERO O=S1(=O)C=C[C@@H]([NH2+][C@H]2CCOC3(CCSCC3)C2)C1 ZINC000094374513 193366954 /nfs/dbraw/zinc/36/69/54/193366954.db2.gz SKPRPSRWJVHFJJ-NWDGAFQWSA-N 1 0 303.449 1.332 10 0 DDAERO CC(C)(C(N)=S)[NH+]1CCN([C@@H]2CCOC3(CCC3)C2)CC1 ZINC000094376080 193367226 /nfs/dbraw/zinc/36/72/26/193367226.db2.gz QPKVGUQLAKOPJK-CYBMUJFWSA-N 1 0 311.495 1.770 10 0 DDAERO C[NH2+]CCn1nnnc1S[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000094414374 193368357 /nfs/dbraw/zinc/36/83/57/193368357.db2.gz VPWRQAPNZXAEDD-ZYHUDNBSSA-N 1 0 315.468 1.039 10 0 DDAERO C[C@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)CCC[NH2+]C1CC1 ZINC000094445765 193371022 /nfs/dbraw/zinc/37/10/22/193371022.db2.gz KYFRLEXGSMZNFE-DZGCQCFKSA-N 1 0 315.483 1.017 10 0 DDAERO C[NH2+][C@@H](Cc1ccc(Br)cc1)[C@@H]1CN2CCN1CC2 ZINC000094509209 193375382 /nfs/dbraw/zinc/37/53/82/193375382.db2.gz NETRVZUZFWDYKZ-GJZGRUSLSA-N 1 0 324.266 1.579 10 0 DDAERO CC[NH2+][C@@H](Cc1ccc(F)cc1Cl)[C@@H]1CN2CCN1CC2 ZINC000094510156 193376004 /nfs/dbraw/zinc/37/60/04/193376004.db2.gz FCSUHPSOFNEJKI-HOTGVXAUSA-N 1 0 311.832 2.000 10 0 DDAERO CN(Cc1c(F)cccc1Cl)C(=O)[C@H]1CC[C@H](C[NH3+])O1 ZINC000094567677 193380566 /nfs/dbraw/zinc/38/05/66/193380566.db2.gz ZEWUUEZVIODUDL-NOZJJQNGSA-N 1 0 300.761 1.944 10 0 DDAERO C[N@H+](CCNc1nc2c(Br)cccn2n1)C1CC1 ZINC000094605621 193384249 /nfs/dbraw/zinc/38/42/49/193384249.db2.gz LSJGTJUQCAZJDU-UHFFFAOYSA-N 1 0 310.199 1.998 10 0 DDAERO [NH3+]C[C@@H]1CCCCN1c1nc2ccc(Br)cn2n1 ZINC000094607680 193384499 /nfs/dbraw/zinc/38/44/99/193384499.db2.gz TUYYVORJZOWGSW-JTQLQIEISA-N 1 0 310.199 1.809 10 0 DDAERO CC(C)C[NH2+]Cc1ccc(CN(C)CCS(C)(=O)=O)nc1 ZINC000094758983 193395509 /nfs/dbraw/zinc/39/55/09/193395509.db2.gz UQMLEZSBIWNLTQ-UHFFFAOYSA-N 1 0 313.467 1.304 10 0 DDAERO C[NH2+]CCc1ccc(S(=O)(=O)N2CCC(C)(C)C2)s1 ZINC000094814954 193399823 /nfs/dbraw/zinc/39/98/23/193399823.db2.gz VQHSOPLNTKQBOC-UHFFFAOYSA-N 1 0 302.465 1.931 10 0 DDAERO CCC1(CC)CCN(S(=O)(=O)c2cnn(CC[NH3+])c2)C1 ZINC000094815058 193399976 /nfs/dbraw/zinc/39/99/76/193399976.db2.gz COTSLRICILZHEH-UHFFFAOYSA-N 1 0 300.428 1.043 10 0 DDAERO C[NH+](C)[C@@H]1CCN(c2ncc(F)cn2)[C@H]1Cc1cccnc1 ZINC000096070021 193519556 /nfs/dbraw/zinc/51/95/56/193519556.db2.gz KKHIZFNSYTYEQA-CABCVRRESA-N 1 0 301.369 1.762 10 0 DDAERO COC(=O)[C@H](c1ccccc1F)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000245453825 284305271 /nfs/dbraw/zinc/30/52/71/284305271.db2.gz RLNALUWIAAHCGI-WWGRRREGSA-N 1 0 324.396 1.427 10 0 DDAERO C[NH+](C)C[C@H]1C[C@@H](O)CN1C(=O)c1csc2c1CCCC2 ZINC000097250446 193697774 /nfs/dbraw/zinc/69/77/74/193697774.db2.gz UBGJQZISNRNZMG-VXGBXAGGSA-N 1 0 308.447 1.764 10 0 DDAERO CCc1nn(CC)c(CN2C[C@@H](O)C[C@@H]2C[NH+](C)C)c1Cl ZINC000097264071 193701697 /nfs/dbraw/zinc/70/16/97/193701697.db2.gz BPNDISCMWXFMAW-NEPJUHHUSA-N 1 0 314.861 1.616 10 0 DDAERO CCC[NH2+][C@@H](Cc1cc(C)nn1C)C[C@@H]1CCS(=O)(=O)C1 ZINC000097273192 193702831 /nfs/dbraw/zinc/70/28/31/193702831.db2.gz KHYKHTXHEIBUOO-UONOGXRCSA-N 1 0 313.467 1.464 10 0 DDAERO C[NH2+][C@@H](CCc1ccco1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000097309391 193706612 /nfs/dbraw/zinc/70/66/12/193706612.db2.gz ROFKMZJTLYJDGG-KBPBESRZSA-N 1 0 314.451 1.862 10 0 DDAERO C[C@@H]([NH2+][C@H]1CN2CCC1CC2)c1ccc(S(C)(=O)=O)cc1 ZINC000020023542 182179696 /nfs/dbraw/zinc/17/96/96/182179696.db2.gz BRXUSJCGZBZYPA-WBMJQRKESA-N 1 0 308.447 1.835 10 0 DDAERO [NH3+][C@@H](c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccccc1Cl ZINC000020023358 182179776 /nfs/dbraw/zinc/17/97/76/182179776.db2.gz PIQRZMCJTHAQFX-ZDUSSCGKSA-N 1 0 301.733 1.918 10 0 DDAERO CC(C)NC(=O)COc1ccc(Br)cc1C[NH3+] ZINC000020483483 182223068 /nfs/dbraw/zinc/22/30/68/182223068.db2.gz IMISDCAAQFNZBP-UHFFFAOYSA-N 1 0 301.184 1.811 10 0 DDAERO CC(C)(C)[NH2+]C[C@H](O)Cn1cccc(Br)c1=O ZINC000097909979 193766398 /nfs/dbraw/zinc/76/63/98/193766398.db2.gz JMXITZSNEPSETQ-VIFPVBQESA-N 1 0 303.200 1.360 10 0 DDAERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)NCc1ccc(Cl)cc1 ZINC000023249663 182354540 /nfs/dbraw/zinc/35/45/40/182354540.db2.gz LTBIPDHJIIYWQH-OAHLLOKOSA-N 1 0 307.825 1.736 10 0 DDAERO COc1ccc([C@@H](C)N2CCN(C(=O)CC[NH3+])CC2)cc1OC ZINC000024867898 182393673 /nfs/dbraw/zinc/39/36/73/182393673.db2.gz XYQBYMGATCZDOV-CYBMUJFWSA-N 1 0 321.421 1.258 10 0 DDAERO CCC(=O)NC[C@@H](c1ccc(OC)cc1)N1CC[NH+](CC)CC1 ZINC000036090158 182797051 /nfs/dbraw/zinc/79/70/51/182797051.db2.gz GXFRMDJZMYOODY-KRWDZBQOSA-N 1 0 319.449 1.900 10 0 DDAERO C[C@@H]([NH3+])CC(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000037654637 182917799 /nfs/dbraw/zinc/91/77/99/182917799.db2.gz JLEJVBHSTYDCSS-SSDOTTSWSA-N 1 0 315.167 1.896 10 0 DDAERO CC[NH+](CC)CCN(CCOC)C(=O)[C@H]1CCCO[C@H]1C ZINC000191285619 284618253 /nfs/dbraw/zinc/61/82/53/284618253.db2.gz BHNVLSCTLIMBNA-GJZGRUSLSA-N 1 0 300.443 1.618 10 0 DDAERO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(F)c(N)c2)C1 ZINC000040501821 183083410 /nfs/dbraw/zinc/08/34/10/183083410.db2.gz SMQOTAWSNXWYEN-JTQLQIEISA-N 1 0 301.387 1.171 10 0 DDAERO CNC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2C[C@H](OC)C[NH2+]2)c1 ZINC000040633306 183111440 /nfs/dbraw/zinc/11/14/40/183111440.db2.gz CWFAFEZTWOWANJ-CABZTGNLSA-N 1 0 311.769 1.015 10 0 DDAERO Cc1ccc(NC(=O)C2CCC([NH3+])CC2)cc1S(N)(=O)=O ZINC000040807974 183136712 /nfs/dbraw/zinc/13/67/12/183136712.db2.gz AILCMHWSRUICIL-UHFFFAOYSA-N 1 0 311.407 1.098 10 0 DDAERO C[NH+](C)CCCNC(=O)[C@@H]1CCC(=O)N1c1ccc(F)cc1 ZINC000041459138 183192737 /nfs/dbraw/zinc/19/27/37/183192737.db2.gz FPEPXQMUWKNKFH-AWEZNQCLSA-N 1 0 307.369 1.389 10 0 DDAERO CC(C)[N@H+](C)CCCCNS(=O)(=O)c1ccc(O)cc1 ZINC000041682188 183216821 /nfs/dbraw/zinc/21/68/21/183216821.db2.gz RRGROPXOCQNEKL-UHFFFAOYSA-N 1 0 300.424 1.791 10 0 DDAERO CCO[C@@H]1CCCN(S(=O)(=O)c2cccc([C@@H](C)[NH3+])c2)C1 ZINC000042425642 183268539 /nfs/dbraw/zinc/26/85/39/183268539.db2.gz DZHNKVRHZKFZMO-TZMCWYRMSA-N 1 0 312.435 1.896 10 0 DDAERO COC[C@@H](O)C[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1N ZINC000042483174 183275438 /nfs/dbraw/zinc/27/54/38/183275438.db2.gz LQFRCSBUBZKMGK-NSHDSACASA-N 1 0 315.801 1.190 10 0 DDAERO CCCCN([C@H](C)CC)S(=O)(=O)c1cc[nH+]c(NN)c1 ZINC000042611302 183291166 /nfs/dbraw/zinc/29/11/66/183291166.db2.gz LWJKWNBGPSSFHO-LLVKDONJSA-N 1 0 300.428 1.957 10 0 DDAERO COc1ccc([C@H]([C@H](C)[NH3+])N(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000042961282 183323814 /nfs/dbraw/zinc/32/38/14/183323814.db2.gz HSDYOEKVDKPDEY-LNSITVRQSA-N 1 0 312.435 1.202 10 0 DDAERO CC[C@H]([NH3+])[C@@H](c1ccccc1OC)N1CCS(=O)(=O)CC1 ZINC000043097564 183338047 /nfs/dbraw/zinc/33/80/47/183338047.db2.gz XURYJOPODPRYQS-DZGCQCFKSA-N 1 0 312.435 1.204 10 0 DDAERO CC[C@@H]([NH3+])[C@H](c1cc(Br)cs1)N(C)CC(N)=O ZINC000043285410 183350410 /nfs/dbraw/zinc/35/04/10/183350410.db2.gz MWIYIRFDVNXHSA-LDYMZIIASA-N 1 0 320.256 1.706 10 0 DDAERO [NH3+][C@@H](CN1C(=O)COCC1=O)c1cccc(C(F)(F)F)c1 ZINC000043513046 183369191 /nfs/dbraw/zinc/36/91/91/183369191.db2.gz ZRQJBMQNVYLNSZ-JTQLQIEISA-N 1 0 302.252 1.091 10 0 DDAERO CN(c1nc2c(cc1C(N)=S)CCC2)C1CC[NH+](C)CC1 ZINC000043408333 183360261 /nfs/dbraw/zinc/36/02/61/183360261.db2.gz FSMFCQCWKSIIAK-UHFFFAOYSA-N 1 0 304.463 1.735 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)s1 ZINC000043428298 183361638 /nfs/dbraw/zinc/36/16/38/183361638.db2.gz FFKMDBANABUMLK-RYUDHWBXSA-N 1 0 316.448 1.539 10 0 DDAERO Cn1cc(Br)cc1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000104365770 194002316 /nfs/dbraw/zinc/00/23/16/194002316.db2.gz OYTHTUKQBSYJBA-SECBINFHSA-N 1 0 300.200 1.517 10 0 DDAERO CO[C@H]1C[C@@H](CN(C)CC(=O)NCc2ccc(F)cc2)[N@H+](C)C1 ZINC000284816075 218190276 /nfs/dbraw/zinc/19/02/76/218190276.db2.gz LVIHSUNSGBTBIC-HOTGVXAUSA-N 1 0 323.412 1.093 10 0 DDAERO CC[C@@H]1C[N@H+](CCCCCn2cccn2)CCN1C[C@@H](C)O ZINC000105827998 194136825 /nfs/dbraw/zinc/13/68/25/194136825.db2.gz MRNAXNWGMCXOBF-IAGOWNOFSA-N 1 0 308.470 1.830 10 0 DDAERO C[C@H](O)C[NH+]1CCC(CN(C)Cc2nc(C(C)(C)C)no2)CC1 ZINC000105862535 194150163 /nfs/dbraw/zinc/15/01/63/194150163.db2.gz GVJGHACRHHUJNJ-ZDUSSCGKSA-N 1 0 324.469 1.892 10 0 DDAERO CC[C@@H]1CN(C[C@H](O)COc2ccccc2)CC[N@@H+]1CCOC ZINC000105836610 194142740 /nfs/dbraw/zinc/14/27/40/194142740.db2.gz FDNTWCSQHMFPNI-SJORKVTESA-N 1 0 322.449 1.469 10 0 DDAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)CC)CC2 ZINC000105873279 194153676 /nfs/dbraw/zinc/15/36/76/194153676.db2.gz UILMGURWBAOVRF-RYUDHWBXSA-N 1 0 307.442 1.438 10 0 DDAERO Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)o1 ZINC000106520374 194223951 /nfs/dbraw/zinc/22/39/51/194223951.db2.gz AKXNUMVYKFBKRB-GXTWGEPZSA-N 1 0 308.426 1.584 10 0 DDAERO COc1cccc(CN(C)S(=O)(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000049644664 183750994 /nfs/dbraw/zinc/75/09/94/183750994.db2.gz IANNCNHCBPXTSJ-AWEZNQCLSA-N 1 0 312.435 1.456 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2OC)cc1 ZINC000050376145 183784062 /nfs/dbraw/zinc/78/40/62/183784062.db2.gz KGUDSPUXKWNCGG-LSDHHAIUSA-N 1 0 312.435 1.642 10 0 DDAERO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cccnc1NC ZINC000050673275 183798341 /nfs/dbraw/zinc/79/83/41/183798341.db2.gz KWQWAPPSGJMTOR-LLVKDONJSA-N 1 0 300.428 1.132 10 0 DDAERO CC(C)(C(N)=S)[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000109465678 194267407 /nfs/dbraw/zinc/26/74/07/194267407.db2.gz RIBUUEKHNOXPIU-UHFFFAOYSA-N 1 0 305.447 1.438 10 0 DDAERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000052010846 183847759 /nfs/dbraw/zinc/84/77/59/183847759.db2.gz ZUBBUULHENDDOI-CQDKDKBSSA-N 1 0 312.435 1.549 10 0 DDAERO CC[NH2+][C@@H]1c2ccc(Sc3nnc(C)n3C)cc2NC1=O ZINC000110368743 194324723 /nfs/dbraw/zinc/32/47/23/194324723.db2.gz QVDQKMFJQHJDGL-GFCCVEGCSA-N 1 0 303.391 1.877 10 0 DDAERO Nc1cc(Cl)ccc1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000054111702 183924492 /nfs/dbraw/zinc/92/44/92/183924492.db2.gz FOBQHEMXSNEQPJ-UHFFFAOYSA-N 1 0 303.815 1.296 10 0 DDAERO C[C@]1([NH2+]Cc2[nH]nnc2-c2ccccc2)CCS(=O)(=O)C1 ZINC000110924728 194370107 /nfs/dbraw/zinc/37/01/07/194370107.db2.gz OHDFFEQHHHEXKV-AWEZNQCLSA-N 1 0 306.391 1.139 10 0 DDAERO CN(CC(=O)Nc1ccc(F)c(F)c1F)[C@H]1CCC[NH2+]C1 ZINC000110931567 194371485 /nfs/dbraw/zinc/37/14/85/194371485.db2.gz CJAVOFSDRWGFNQ-VIFPVBQESA-N 1 0 301.312 1.726 10 0 DDAERO Cc1cc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)no1 ZINC000056242591 184008046 /nfs/dbraw/zinc/00/80/46/184008046.db2.gz AXYRENKYYLLESX-ZDUSSCGKSA-N 1 0 316.361 1.341 10 0 DDAERO CCOCCO[C@@H](C)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000057441488 184038461 /nfs/dbraw/zinc/03/84/61/184038461.db2.gz FEKQMMZYVPXSQK-HOCLYGCPSA-N 1 0 308.422 1.847 10 0 DDAERO O=S1(=O)CC[C@@H]([NH2+]C[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000060059460 184143835 /nfs/dbraw/zinc/14/38/35/184143835.db2.gz XBDJAVLYTYMFDD-CVEARBPZSA-N 1 0 308.447 1.600 10 0 DDAERO CC[NH2+][C@H](C)CC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2 ZINC000061270627 184167155 /nfs/dbraw/zinc/16/71/55/184167155.db2.gz OFEVLGZSWQKVGD-MRVPVSSYSA-N 1 0 311.769 1.998 10 0 DDAERO CCCn1c(S[C@H](c2cccnc2)[C@@H]([NH3+])CC)n[nH]c1=O ZINC000061594996 184176497 /nfs/dbraw/zinc/17/64/97/184176497.db2.gz FFEUYZRNQPIYRA-NWDGAFQWSA-N 1 0 307.423 1.947 10 0 DDAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C(C)C)c1cnn(C)c1 ZINC000061595083 184176606 /nfs/dbraw/zinc/17/66/06/184176606.db2.gz VNXACAJJRWTKQR-WDEREUQCSA-N 1 0 310.427 1.457 10 0 DDAERO O=S(=O)(C[C@@H]1CCC[NH2+]1)NCc1ccccc1C(F)(F)F ZINC000061627352 184178927 /nfs/dbraw/zinc/17/89/27/184178927.db2.gz KDBUZCRIEGYSGT-NSHDSACASA-N 1 0 322.352 1.877 10 0 DDAERO CC[NH2+]CCS(=O)(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000061627363 184179268 /nfs/dbraw/zinc/17/92/68/184179268.db2.gz MAIHKGMGUPRKLR-UHFFFAOYSA-N 1 0 310.341 1.734 10 0 DDAERO Cc1ccc(N)c(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)c1C ZINC000061642554 184180161 /nfs/dbraw/zinc/18/01/61/184180161.db2.gz GNPKXACZHZRYBJ-CYBMUJFWSA-N 1 0 311.451 1.600 10 0 DDAERO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cc(F)ccc1N ZINC000061642635 184180459 /nfs/dbraw/zinc/18/04/59/184180459.db2.gz DSRWVNDOMNJFBN-NSHDSACASA-N 1 0 301.387 1.123 10 0 DDAERO CC[C@@H](Oc1c(Cl)cc(C[C@@H](C)[NH3+])cc1OC)C(N)=O ZINC000061678328 184181742 /nfs/dbraw/zinc/18/17/42/184181742.db2.gz KTSMUQGTZGVLNF-LDYMZIIASA-N 1 0 300.786 1.881 10 0 DDAERO CCCN[C@@](C)(CCC[N@@H+]1CCCOCC1)C(=O)OCC ZINC000061933483 184196736 /nfs/dbraw/zinc/19/67/36/184196736.db2.gz CTVMWEBIDUMDRM-INIZCTEOSA-N 1 0 300.443 1.810 10 0 DDAERO [NH3+][C@H]1CCC[C@@H](CC(=O)N2CCN(CC(F)(F)F)CC2)C1 ZINC000061950906 184198436 /nfs/dbraw/zinc/19/84/36/184198436.db2.gz SNLBOGMZABFLSL-NEPJUHHUSA-N 1 0 307.360 1.601 10 0 DDAERO C[C@H](c1cccc(Cl)c1)N(C)[C@@H]1CS(=O)(=O)C[C@@H]1[NH3+] ZINC000062014498 184201762 /nfs/dbraw/zinc/20/17/62/184201762.db2.gz QYBHVOHEULKQHL-JIMOISOXSA-N 1 0 302.827 1.457 10 0 DDAERO C[C@H](Cc1ccc(F)cc1)NS(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000062037922 184203025 /nfs/dbraw/zinc/20/30/25/184203025.db2.gz CXYYNJPIWDABLP-IUODEOHRSA-N 1 0 314.426 1.818 10 0 DDAERO CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[NH+](C)C ZINC000062065916 184203832 /nfs/dbraw/zinc/20/38/32/184203832.db2.gz HSTSFEVWNFNNOH-NWDGAFQWSA-N 1 0 301.431 1.604 10 0 DDAERO Cc1cc(N)cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000062069420 184204057 /nfs/dbraw/zinc/20/40/57/184204057.db2.gz MRRARNSVQICXTB-CYBMUJFWSA-N 1 0 311.451 1.587 10 0 DDAERO CCNS(=O)(=O)NC[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000062212226 184221446 /nfs/dbraw/zinc/22/14/46/184221446.db2.gz AGBTZRKIWOOJGZ-OAHLLOKOSA-N 1 0 311.451 1.658 10 0 DDAERO CCNS(=O)(=O)N[C@H](C)C[N@H+](Cc1ccccc1)C(C)C ZINC000062371842 184233736 /nfs/dbraw/zinc/23/37/36/184233736.db2.gz AABANLATZFJKMN-CQSZACIVSA-N 1 0 313.467 1.729 10 0 DDAERO COCC[NH2+]Cc1cc(Cl)c(OCCC(N)=O)c(OC)c1 ZINC000062727875 184250463 /nfs/dbraw/zinc/25/04/63/184250463.db2.gz SKGGSEJFVYQYRF-UHFFFAOYSA-N 1 0 316.785 1.339 10 0 DDAERO COC(=O)CCN(CC(F)(F)F)C(=O)C1(C)CC[NH2+]CC1 ZINC000062840709 184255780 /nfs/dbraw/zinc/25/57/80/184255780.db2.gz MAEDDIXSOLMMIV-UHFFFAOYSA-N 1 0 310.316 1.330 10 0 DDAERO CCS(=O)(=O)c1ccc(NC(=O)[C@]2(C)CCC[NH2+]C2)cc1 ZINC000062855102 184256409 /nfs/dbraw/zinc/25/64/09/184256409.db2.gz QLHAWFQKPVTHGV-OAHLLOKOSA-N 1 0 310.419 1.808 10 0 DDAERO CCC[C@@]1(CNCc2ccc(S(C)(=O)=O)cc2)CC[NH2+]C1 ZINC000062912200 184259419 /nfs/dbraw/zinc/25/94/19/184259419.db2.gz UPXFMKOKWGZDCW-MRXNPFEDSA-N 1 0 310.463 1.960 10 0 DDAERO CCOCC[NH2+]CCSc1ccc(S(C)(=O)=O)cc1 ZINC000063132065 184272777 /nfs/dbraw/zinc/27/27/77/184272777.db2.gz JDBPCDNBMWSKFP-UHFFFAOYSA-N 1 0 303.449 1.808 10 0 DDAERO [NH3+]CCCN(c1ccc(F)cc1)S(=O)(=O)C[C@H]1CCCO1 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CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[C@@H](C)[NH3+] ZINC000157137549 197165078 /nfs/dbraw/zinc/16/50/78/197165078.db2.gz JDVLDPDLDVNVHM-SECBINFHSA-N 1 0 322.796 1.662 10 0 DDAERO Cn1ccnc1[C@H]1C[N@H+](CC[C@H](O)c2ccccc2)CCN1C ZINC000289577958 221080688 /nfs/dbraw/zinc/08/06/88/221080688.db2.gz YVZVXJVFICRMKX-SJORKVTESA-N 1 0 314.433 1.832 10 0 DDAERO COc1ncccc1C[N@@H+]1CC[C@@H](O)[C@H]1Cc1cnn(C)c1 ZINC000248143350 257108779 /nfs/dbraw/zinc/10/87/79/257108779.db2.gz QYTIWJUEETXTTE-HUUCEWRRSA-N 1 0 302.378 1.002 10 0 DDAERO C[NH+](C)CCN1CC[C@@H]2O[C@H](C(=O)Nc3cccnc3)CC[C@@H]21 ZINC000248046114 257109096 /nfs/dbraw/zinc/10/90/96/257109096.db2.gz WLUHZLBKOJIJQL-JYJNAYRXSA-N 1 0 318.421 1.204 10 0 DDAERO Cc1noc([C@@H]2C[C@@H]3OCC[C@@H]3[N@H+](Cc3ccncc3)C2)n1 ZINC000248010677 257112077 /nfs/dbraw/zinc/11/20/77/257112077.db2.gz IVBADXOFWRHUQM-ILXRZTDVSA-N 1 0 300.362 1.920 10 0 DDAERO COCCN1CCO[C@@H]2CC[N@H+](Cc3scnc3C)C[C@H]21 ZINC000248017501 257112193 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CCO[C@@H]1C[C@@H]([NH2+]CCN(C)CCOC)C12CCOCC2 ZINC000186310569 286281361 /nfs/dbraw/zinc/28/13/61/286281361.db2.gz KMZAAZDKAMYMQA-HUUCEWRRSA-N 1 0 300.443 1.128 10 0 DDAERO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1OC ZINC000069137276 406682023 /nfs/dbraw/zinc/68/20/23/406682023.db2.gz YVHZKFGOEZWPJQ-DGCLKSJQSA-N 1 0 313.419 1.932 10 0 DDAERO CCCCNC(=O)C1CC[NH+](C[C@H](O)COC(C)(C)C)CC1 ZINC000046037267 407053408 /nfs/dbraw/zinc/05/34/08/407053408.db2.gz UZOKBFQZQCOBPN-HNNXBMFYSA-N 1 0 314.470 1.791 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC2CCN(C(=O)C(C)C)CC2)C1 ZINC000052523459 407151643 /nfs/dbraw/zinc/15/16/43/407151643.db2.gz GMBJSPYKIMAGIU-OAHLLOKOSA-N 1 0 324.469 1.417 10 0 DDAERO COCC[N@H+](C)CCCNC(=O)N[C@H]1COc2ccccc21 ZINC000060587063 407226299 /nfs/dbraw/zinc/22/62/99/407226299.db2.gz XFZWFUURWDWRFV-AWEZNQCLSA-N 1 0 307.394 1.388 10 0 DDAERO COc1ccc(NC(=O)[C@H](C)[NH2+]CCn2cc(C)cn2)cc1 ZINC000105881408 407356491 /nfs/dbraw/zinc/35/64/91/407356491.db2.gz ZXWUYHMMELNULI-ZDUSSCGKSA-N 1 0 302.378 1.817 10 0 DDAERO CN(Cc1nnc(C2CC2)n1C)CC(C)(C)C[NH+]1CCOCC1 ZINC000123977965 407344485 /nfs/dbraw/zinc/34/44/85/407344485.db2.gz NREDYYPZIZPLQU-UHFFFAOYSA-N 1 0 321.469 1.483 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc2c(c1)nnn2C ZINC000104327497 407350918 /nfs/dbraw/zinc/35/09/18/407350918.db2.gz OLFRLBFPPYKDFU-CYBMUJFWSA-N 1 0 303.410 1.674 10 0 DDAERO CC(C)[C@@H](C)NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000108539151 407387356 /nfs/dbraw/zinc/38/73/56/407387356.db2.gz ROMUTVBSHZLWBK-CVEARBPZSA-N 1 0 310.486 1.842 10 0 DDAERO CN1CCO[C@H](CNC(=O)NC2(C)Cc3ccccc3C2)C1 ZINC000126938065 407424469 /nfs/dbraw/zinc/42/44/69/407424469.db2.gz SHFFZQXSVQBZQN-OAHLLOKOSA-N 1 0 303.406 1.174 10 0 DDAERO C[C@H](CNC(=O)N[C@H](C)c1nnc2n1CCCC2)[N@H+](C)C1CC1 ZINC000151759977 407491394 /nfs/dbraw/zinc/49/13/94/407491394.db2.gz UDYVBSOSRAPFOE-VXGBXAGGSA-N 1 0 320.441 1.457 10 0 DDAERO C[C@@H](CNC(=O)N[C@@H](C)c1nnc2n1CCCC2)[N@H+](C)C1CC1 ZINC000151759746 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CCC[NH2+][C@H]1CCC2(C[C@H]1S(=O)(=O)CCC)OCCO2 ZINC000081961326 192345455 /nfs/dbraw/zinc/34/54/55/192345455.db2.gz XKTDLVVTSFKEDY-QWHCGFSZSA-N 1 0 305.440 1.475 10 0 DDAERO C[NH2+][C@@H](CCO)C[S@](=O)c1ccccc1Br ZINC000082990317 185210294 /nfs/dbraw/zinc/21/02/94/185210294.db2.gz BNNQEEMPUFZLSW-XXFAHNHDSA-N 1 0 306.225 1.527 10 0 DDAERO C[C@H]1CCN(CC[N@H+](C)Cc2ccc(F)cc2)[C@@H](C(N)=O)C1 ZINC000249554792 282172132 /nfs/dbraw/zinc/17/21/32/282172132.db2.gz JIHYECDDZCDYOO-XJKSGUPXSA-N 1 0 307.413 1.843 10 0 DDAERO O=S1(=O)CCCN1CC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000328667799 231300077 /nfs/dbraw/zinc/30/00/77/231300077.db2.gz LAKYJVSMUCWJES-GFCCVEGCSA-N 1 0 315.464 1.358 10 0 DDAERO CC[C@H](C[NH3+])NS(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000087386191 185223340 /nfs/dbraw/zinc/22/33/40/185223340.db2.gz FNSNPRIFTRPPTN-GFCCVEGCSA-N 1 0 300.424 1.798 10 0 DDAERO CCOC(=O)N1CCC[C@H](C(=O)N[C@H]2CCC[N@H+](CC)C2)C1 ZINC000249610289 282184837 /nfs/dbraw/zinc/18/48/37/282184837.db2.gz GGNCVCXCDIXYFR-KBPBESRZSA-N 1 0 311.426 1.455 10 0 DDAERO CC(C)[C@H](C[NH3+])C(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000087519537 185227513 /nfs/dbraw/zinc/22/75/13/185227513.db2.gz ATHUTFCVRWQEQC-JTQLQIEISA-N 1 0 302.371 1.399 10 0 DDAERO CCC(CC)N1C[C@@H](C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)CC1=O ZINC000262031421 282188576 /nfs/dbraw/zinc/18/85/76/282188576.db2.gz PLGZBFWBGAKNBN-JSGCOSHPSA-N 1 0 309.454 1.609 10 0 DDAERO [NH3+]C1CN(Cc2nnc(-c3ccc(Br)s3)o2)C1 ZINC000087589992 185229060 /nfs/dbraw/zinc/22/90/60/185229060.db2.gz KHQFTQHISWMAOL-UHFFFAOYSA-N 1 0 315.196 1.704 10 0 DDAERO Cc1ccc(Br)cc1C(=O)NC[C@H]([NH3+])[C@@H](C)O ZINC000087744271 185231240 /nfs/dbraw/zinc/23/12/40/185231240.db2.gz MBQJNYPCKSOWLR-KCJUWKMLSA-N 1 0 301.184 1.195 10 0 DDAERO CCOc1ccc([C@@H](C)[NH3+])cc1CS(=O)(=O)CC(=O)OC ZINC000081976634 192347842 /nfs/dbraw/zinc/34/78/42/192347842.db2.gz WJJVBRVLRHVLDJ-SNVBAGLBSA-N 1 0 315.391 1.193 10 0 DDAERO CN1CCCC[C@@H]1COc1nc(NN)[nH+]cc1Br ZINC000087890429 185234813 /nfs/dbraw/zinc/23/48/13/185234813.db2.gz YKKMACRSMKYJMG-MRVPVSSYSA-N 1 0 316.203 1.388 10 0 DDAERO CC[NH2+][C@H](CCCS(C)(=O)=O)[C@@H]1COc2ccccc2O1 ZINC000087859885 185233801 /nfs/dbraw/zinc/23/38/01/185233801.db2.gz IYAMKRBWRDOQIH-DOMZBBRYSA-N 1 0 313.419 1.629 10 0 DDAERO [NH3+]C[C@@H](c1cc(Br)cs1)N1CCCNC(=O)C1 ZINC000087882647 185234361 /nfs/dbraw/zinc/23/43/61/185234361.db2.gz NUWABLONMSSAHH-VIFPVBQESA-N 1 0 318.240 1.332 10 0 DDAERO CS(=O)(=O)CC(=O)Nc1ccc(C[NH3+])c(C(F)(F)F)c1 ZINC000088191163 185241115 /nfs/dbraw/zinc/24/11/15/185241115.db2.gz KQRWKMFGYVCQAJ-UHFFFAOYSA-N 1 0 310.297 1.147 10 0 DDAERO CCOC(=O)CS(=O)(=O)[C@H](C(C)C)[C@@H]([NH3+])c1ccccc1 ZINC000081977076 192348572 /nfs/dbraw/zinc/34/85/72/192348572.db2.gz HGOZYDLJIQPABN-LSDHHAIUSA-N 1 0 313.419 1.689 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)Nc1c(C)cc(C)cc1C)C(C)C ZINC000183636871 539242521 /nfs/dbraw/zinc/24/25/21/539242521.db2.gz LRVUEBVFPJLOFY-OAHLLOKOSA-N 1 0 305.422 1.911 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)C(C)C ZINC000183634536 539242649 /nfs/dbraw/zinc/24/26/49/539242649.db2.gz LKDNNFUAXDQQMB-QGZVFWFLSA-N 1 0 317.433 1.538 10 0 DDAERO Cc1cccc(N2CCN(S(=O)(=O)[C@H](C)C[NH3+])CC2)c1C ZINC000088472402 185252438 /nfs/dbraw/zinc/25/24/38/185252438.db2.gz XMXYUHRARKVQTG-CYBMUJFWSA-N 1 0 311.451 1.102 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)CC[C@@H]1CCCO1 ZINC000189133899 539253099 /nfs/dbraw/zinc/25/30/99/539253099.db2.gz KETXMZPWEMVEPS-KGLIPLIRSA-N 1 0 306.472 1.451 10 0 DDAERO C[C@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC23CCCCC3)C1 ZINC000088396196 185248473 /nfs/dbraw/zinc/24/84/73/185248473.db2.gz ASHXIJMYAUGSLX-AWEZNQCLSA-N 1 0 315.483 1.571 10 0 DDAERO O=C(CCOC1CC[NH2+]CC1)N1CCC(C(F)(F)F)CC1 ZINC000088420878 185249443 /nfs/dbraw/zinc/24/94/43/185249443.db2.gz YOUHTFJLIDNNJS-UHFFFAOYSA-N 1 0 308.344 1.946 10 0 DDAERO [NH3+][C@@H]1CCC2(C[C@H]1N1CCC(C(F)(F)F)CC1)OCCO2 ZINC000088419639 185249482 /nfs/dbraw/zinc/24/94/82/185249482.db2.gz OMRPAHFCADWWQU-VXGBXAGGSA-N 1 0 308.344 1.884 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)o1 ZINC000088543470 185256793 /nfs/dbraw/zinc/25/67/93/185256793.db2.gz YADZSXIDAQOBHA-QWRGUYRKSA-N 1 0 302.396 1.187 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(CCOC)[C@H](C)CC)o1 ZINC000088544334 185256867 /nfs/dbraw/zinc/25/68/67/185256867.db2.gz GFZXKWROEUPJKD-GFCCVEGCSA-N 1 0 318.439 1.825 10 0 DDAERO CCN(C(=O)c1sc2nccnc2c1N)C1CC[NH2+]CC1 ZINC000088641327 185260947 /nfs/dbraw/zinc/26/09/47/185260947.db2.gz HKPUPMMIPMJLLI-UHFFFAOYSA-N 1 0 305.407 1.488 10 0 DDAERO CN(C(=O)c1sc2nccnc2c1N)[C@H]1CCC[N@H+](C)C1 ZINC000088643122 185261312 /nfs/dbraw/zinc/26/13/12/185261312.db2.gz IKGWMYOYZIOTAM-VIFPVBQESA-N 1 0 305.407 1.440 10 0 DDAERO COC[C@@H]1CN(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)C[C@@H](C)O1 ZINC000251986912 282207371 /nfs/dbraw/zinc/20/73/71/282207371.db2.gz VSXFYGUJOZNUKG-LJISPDSOSA-N 1 0 313.442 1.160 10 0 DDAERO CC[C@H](CC[NH3+])N1CCCN(C(=O)CCC(F)(F)F)CC1 ZINC000088832356 185266619 /nfs/dbraw/zinc/26/66/19/185266619.db2.gz YPNDJJZDQYCFMK-GFCCVEGCSA-N 1 0 309.376 1.991 10 0 DDAERO CC[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1[C@H]1C=CS(=O)(=O)C1 ZINC000088860355 185267600 /nfs/dbraw/zinc/26/76/00/185267600.db2.gz RCTOAQMHZKAEPW-PMPSAXMXSA-N 1 0 312.479 1.930 10 0 DDAERO Cc1ccccc1C[S@@](=O)[C@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000081997517 192351678 /nfs/dbraw/zinc/35/16/78/192351678.db2.gz YQSMIJZCPGVZNY-GXZWQRSESA-N 1 0 309.431 1.867 10 0 DDAERO COc1ccc([C@H](C)[NH3+])cc1C[S@@](=O)CCS(C)(=O)=O ZINC000081992024 192352321 /nfs/dbraw/zinc/35/23/21/192352321.db2.gz JNOBYNRQJLASJZ-APBUJDDRSA-N 1 0 319.448 1.008 10 0 DDAERO CCCn1cncc1C[NH2+]C1CCN(S(=O)(=O)CC)CC1 ZINC000090204028 185286906 /nfs/dbraw/zinc/28/69/06/185286906.db2.gz SEPQUCQHMXMPAF-UHFFFAOYSA-N 1 0 314.455 1.197 10 0 DDAERO CC[C@H]([NH2+]C)[C@@H](C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000082011679 192353043 /nfs/dbraw/zinc/35/30/43/192353043.db2.gz KEDJVHCIAGLHKT-MFKMUULPSA-N 1 0 319.448 1.250 10 0 DDAERO OC[C@H](O)C[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000090282421 185289335 /nfs/dbraw/zinc/28/93/35/185289335.db2.gz NZSNTKNJZONIDW-QWHCGFSZSA-N 1 0 300.196 1.249 10 0 DDAERO CCCn1cc(Br)cc1C(=O)N(C)C1C[NH2+]C1 ZINC000090289686 185289623 /nfs/dbraw/zinc/28/96/23/185289623.db2.gz FIXJWKAFZHBNPD-UHFFFAOYSA-N 1 0 300.200 1.704 10 0 DDAERO CN(Cc1nnc(-c2ccccc2Br)o1)C1C[NH2+]C1 ZINC000090290214 185289738 /nfs/dbraw/zinc/28/97/38/185289738.db2.gz DTMBRKCQUPOSRT-UHFFFAOYSA-N 1 0 323.194 1.903 10 0 DDAERO O=C(Cc1c(F)cccc1Cl)N1CCN(C2C[NH2+]C2)CC1 ZINC000090307153 185290127 /nfs/dbraw/zinc/29/01/27/185290127.db2.gz WNCRJIACIGHOKK-UHFFFAOYSA-N 1 0 311.788 1.138 10 0 DDAERO Brc1cccc(CN2CC(N3CC[NH2+]CC3)C2)c1 ZINC000090308397 185290215 /nfs/dbraw/zinc/29/02/15/185290215.db2.gz IBHDGHQVTUVSIU-UHFFFAOYSA-N 1 0 310.239 1.539 10 0 DDAERO c1coc(-c2nc(CN3CC(N4CC[NH2+]CC4)C3)cs2)c1 ZINC000090309152 185290485 /nfs/dbraw/zinc/29/04/85/185290485.db2.gz OEUKDKDOLUQOPD-UHFFFAOYSA-N 1 0 304.419 1.493 10 0 DDAERO Cc1ccc(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000090322139 185290906 /nfs/dbraw/zinc/29/09/06/185290906.db2.gz GJCIRZDAHNJAJD-QWRGUYRKSA-N 1 0 300.811 1.488 10 0 DDAERO CCC[NH2+][C@H](C[S@@](=O)CCS(C)(=O)=O)c1ccccc1 ZINC000081992123 192352630 /nfs/dbraw/zinc/35/26/30/192352630.db2.gz DMLJBGOGVIITGF-AUUYWEPGSA-N 1 0 317.476 1.521 10 0 DDAERO C[C@@H]1CCCCN1S(=O)(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000090337098 185291882 /nfs/dbraw/zinc/29/18/82/185291882.db2.gz HSSBMNPLDGOUPZ-AGIUHOORSA-N 1 0 301.456 1.035 10 0 DDAERO Cc1cc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2(C)C)c(C)s1 ZINC000090337038 185291956 /nfs/dbraw/zinc/29/19/56/185291956.db2.gz GUIJCTYWLCLZSJ-NEPJUHHUSA-N 1 0 314.476 1.983 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1Cc1cc(=O)n2ccsc2n1 ZINC000090337692 185291985 /nfs/dbraw/zinc/29/19/85/185291985.db2.gz LKZYXIUDIMXYHR-ZYHUDNBSSA-N 1 0 304.419 1.186 10 0 DDAERO CC[NH2+][C@H]1COC[C@H]1C(=O)Nc1cccc(OC(F)F)c1 ZINC000090489317 185298960 /nfs/dbraw/zinc/29/89/60/185298960.db2.gz HVKDJFABUYGBMM-NEPJUHHUSA-N 1 0 300.305 1.851 10 0 DDAERO [NH3+][C@H]1COC[C@@H]1C(=O)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000090381931 185293464 /nfs/dbraw/zinc/29/34/64/185293464.db2.gz DAKYYZAYXXIAKU-FZMZJTMJSA-N 1 0 312.772 1.944 10 0 DDAERO COc1cc(OC)c(NC(=O)[C@@H]2COC[C@@H]2[NH3+])cc1Cl ZINC000090378668 185293562 /nfs/dbraw/zinc/29/35/62/185293562.db2.gz UJGICPBBRDYRLI-APPZFPTMSA-N 1 0 300.742 1.269 10 0 DDAERO CCOc1ccc2nc(NC(=O)[C@@H]3COC[C@H]3[NH3+])sc2c1 ZINC000090378678 185293769 /nfs/dbraw/zinc/29/37/69/185293769.db2.gz IVBVROMOZHRFQY-NXEZZACHSA-N 1 0 307.375 1.607 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000090434096 185296166 /nfs/dbraw/zinc/29/61/66/185296166.db2.gz RENFLRMJSZSQSG-STQMWFEESA-N 1 0 303.387 1.983 10 0 DDAERO CCOC(=O)CCC(=O)N1CCCSC[C@H]1C[NH+](C)C ZINC000090699789 185310144 /nfs/dbraw/zinc/31/01/44/185310144.db2.gz MUWRYHZXKWMYKE-GFCCVEGCSA-N 1 0 302.440 1.225 10 0 DDAERO Cc1nnsc1C(=O)N1CCCSC[C@@H]1C[NH+](C)C ZINC000090700080 185310589 /nfs/dbraw/zinc/31/05/89/185310589.db2.gz UGOBAANAFCZLBA-JTQLQIEISA-N 1 0 300.453 1.356 10 0 DDAERO Cc1noc(C)c1CNS(=O)(=O)c1cc(C[NH3+])sc1C ZINC000092344205 185313323 /nfs/dbraw/zinc/31/33/23/185313323.db2.gz WQCVEHRNMNEXHN-UHFFFAOYSA-N 1 0 315.420 1.599 10 0 DDAERO Cc1noc(C)c1CNS(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000092339714 185313028 /nfs/dbraw/zinc/31/30/28/185313028.db2.gz BZMZHCZYKAMAES-VIFPVBQESA-N 1 0 309.391 1.790 10 0 DDAERO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(F)c(CO)c1 ZINC000092678084 185333484 /nfs/dbraw/zinc/33/34/84/185333484.db2.gz ZKYMCJBHBZOECP-GFCCVEGCSA-N 1 0 316.398 1.033 10 0 DDAERO [NH3+]C1CCN(CC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000092713923 185335839 /nfs/dbraw/zinc/33/58/39/185335839.db2.gz SVQOJGNERQVQBN-CMPLNLGQSA-N 1 0 307.360 1.647 10 0 DDAERO CCn1cnc(S(=O)(=O)N[C@H](C(N)=[NH2+])C2CCCCC2)c1 ZINC000092910975 185348628 /nfs/dbraw/zinc/34/86/28/185348628.db2.gz OXDFQSKUONSXPT-LBPRGKRZSA-N 1 0 313.427 1.066 10 0 DDAERO CCn1cnc(S(=O)(=O)N2CC[NH2+]CC23CCCCC3)c1 ZINC000092910621 185348642 /nfs/dbraw/zinc/34/86/42/185348642.db2.gz LEGGVFSOXBMSNR-UHFFFAOYSA-N 1 0 312.439 1.200 10 0 DDAERO C[C@H](NC(=O)[C@H]1CC[NH2+][C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000092956019 185350349 /nfs/dbraw/zinc/35/03/49/185350349.db2.gz LFUMWWBAFAIUTL-WDMOLILDSA-N 1 0 310.419 1.265 10 0 DDAERO Cc1ccc(N(CCC[NH3+])S(=O)(=O)c2cn(C)cn2)cc1 ZINC000052095795 190682643 /nfs/dbraw/zinc/68/26/43/190682643.db2.gz CTSRJLYLCXQULP-UHFFFAOYSA-N 1 0 308.407 1.273 10 0 DDAERO CN(c1ccc(C(N)=[NH2+])c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000061856573 190694451 /nfs/dbraw/zinc/69/44/51/190694451.db2.gz CNHIRQOOFAQDET-SECBINFHSA-N 1 0 301.799 1.247 10 0 DDAERO COC1(CO)CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000401757103 539514007 /nfs/dbraw/zinc/51/40/07/539514007.db2.gz RXZVSVWMNJXPNZ-MRXNPFEDSA-N 1 0 309.406 1.037 10 0 DDAERO CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC000616632382 362764991 /nfs/dbraw/zinc/76/49/91/362764991.db2.gz NZWMRFJSFNCZFD-OAHLLOKOSA-N 1 0 305.422 1.985 10 0 DDAERO COC(=O)[C@]1(c2ccc(F)cc2Br)CC[NH2+]C1 ZINC000616570269 539559817 /nfs/dbraw/zinc/55/98/17/539559817.db2.gz GJARPBYPZAJHHR-GFCCVEGCSA-N 1 0 302.143 1.992 10 0 DDAERO C[C@H]1CC[C@H](C[NH3+])CN1S(=O)(=O)N(C)Cc1ccccc1 ZINC000070181082 190868388 /nfs/dbraw/zinc/86/83/88/190868388.db2.gz KYMZGAANNXYLCS-DZGCQCFKSA-N 1 0 311.451 1.422 10 0 DDAERO C[NH+](C)CC1CCN(S(=O)(=O)c2cccc(F)c2N)CC1 ZINC000070445942 190894179 /nfs/dbraw/zinc/89/41/79/190894179.db2.gz LKXSOVCLQDKHPP-UHFFFAOYSA-N 1 0 315.414 1.370 10 0 DDAERO [NH3+]C1CN(C(=O)c2ccccc2I)C1 ZINC000083635077 192376874 /nfs/dbraw/zinc/37/68/74/192376874.db2.gz SNNZHKBTKDJROO-UHFFFAOYSA-N 1 0 302.115 1.074 10 0 DDAERO [NH3+]Cc1cnn(Cc2ccc(I)cc2)c1 ZINC000083851354 192386802 /nfs/dbraw/zinc/38/68/02/192386802.db2.gz VFWYYPCJYHNRNH-UHFFFAOYSA-N 1 0 313.142 1.995 10 0 DDAERO COCCS(=O)(=O)[C@H]1C[C@@H](c2ccccc2)CC[C@@H]1C[NH3+] ZINC000084270518 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321.469 1.282 10 0 DDAERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ncc(I)cn1 ZINC000126269589 354053069 /nfs/dbraw/zinc/05/30/69/354053069.db2.gz PWBIGGKQPGMSST-CBAPKCEASA-N 1 0 318.162 1.621 10 0 DDAERO Ic1cnc(NCC[C@@H]2CC[NH2+]C2)nc1 ZINC000126255266 354053259 /nfs/dbraw/zinc/05/32/59/354053259.db2.gz LTOHRYXRCIYHFI-QMMMGPOBSA-N 1 0 318.162 1.493 10 0 DDAERO CC[C@H]1CN(C(=O)NCCCCSC)CC[N@@H+]1CCOC ZINC000153628906 354199871 /nfs/dbraw/zinc/19/98/71/354199871.db2.gz BJKZCLYVGIKDIL-AWEZNQCLSA-N 1 0 317.499 1.882 10 0 DDAERO C[N@H+](CC1CC1)C[C@@H]1CN(Cc2ccc(C(N)=O)cc2)CCO1 ZINC000328636222 354555392 /nfs/dbraw/zinc/55/53/92/354555392.db2.gz NYJGJICEBZXPCG-QGZVFWFLSA-N 1 0 317.433 1.328 10 0 DDAERO Cn1cc([C@H]2[C@H](C[NH2+]Cc3ccsc3)CC(=O)N2C)cn1 ZINC000328634287 354555482 /nfs/dbraw/zinc/55/54/82/354555482.db2.gz TYWKFINEIYUBCH-SWLSCSKDSA-N 1 0 304.419 1.791 10 0 DDAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3nccn(C)c3=O)C2)C[C@H](C)O1 ZINC000328637508 354556294 /nfs/dbraw/zinc/55/62/94/354556294.db2.gz 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C[C@H]1C[NH2+][C@H](C2CCCCC2)CN1C1CCS(=O)(=O)CC1 ZINC000086218909 192555474 /nfs/dbraw/zinc/55/54/74/192555474.db2.gz YDBOUPNEMVMANM-BBRMVZONSA-N 1 0 314.495 1.806 10 0 DDAERO C[C@H]1C[NH+]=C(NCCc2ccc(S(N)(=O)=O)cc2)SC1 ZINC000086633096 192586205 /nfs/dbraw/zinc/58/62/05/192586205.db2.gz SKNZIHLHOONCDJ-JTQLQIEISA-N 1 0 313.448 1.205 10 0 DDAERO COc1cc(OC)c(CNC(=O)C2([NH3+])CCCC2)c(OC)c1 ZINC000237185744 202180136 /nfs/dbraw/zinc/18/01/36/202180136.db2.gz DTTVOIQQMMBPLZ-UHFFFAOYSA-N 1 0 308.378 1.600 10 0 DDAERO CCC(O)(CC)C[NH2+]C[C@H](O)COCCc1scnc1C ZINC000087028354 192613679 /nfs/dbraw/zinc/61/36/79/192613679.db2.gz ICHWSOYEADIFHO-ZDUSSCGKSA-N 1 0 316.467 1.512 10 0 DDAERO CC(C)[NH2+]C[C@H]1CCCN(S(=O)(=O)N(C)C2CCCC2)C1 ZINC000088943853 192663146 /nfs/dbraw/zinc/66/31/46/192663146.db2.gz ATTONFPLALFGBA-CQSZACIVSA-N 1 0 317.499 1.816 10 0 DDAERO CCC[NH2+]C[C@@H]1CCCN(S(=O)(=O)N(CCC)C2CC2)C1 ZINC000088946219 192665151 /nfs/dbraw/zinc/66/51/51/192665151.db2.gz BJVHEFWRULBDKP-AWEZNQCLSA-N 1 0 317.499 1.817 10 0 DDAERO CCC[C@H](C)N(C)S(=O)(=O)c1cnn(CCC[NH2+]CC)c1 ZINC000088964161 192672837 /nfs/dbraw/zinc/67/28/37/192672837.db2.gz MLDBPBRGRKERJA-ZDUSSCGKSA-N 1 0 316.471 1.692 10 0 DDAERO CC(C)[NH2+]C[C@@H]1CCCN(S(=O)(=O)NCC(C)(C)C)C1 ZINC000088985594 192683186 /nfs/dbraw/zinc/68/31/86/192683186.db2.gz KTYXIIRVVKAOAX-ZDUSSCGKSA-N 1 0 305.488 1.577 10 0 DDAERO CC(C)[NH2+]C[C@H](C)S(=O)(=O)N1CCN(C(C)(C)C)CC1 ZINC000088992584 192686534 /nfs/dbraw/zinc/68/65/34/192686534.db2.gz WQIJTDRZHPXSBT-ZDUSSCGKSA-N 1 0 305.488 1.119 10 0 DDAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N(C)[C@@H](C)COC)s1 ZINC000088996924 192688947 /nfs/dbraw/zinc/68/89/47/192688947.db2.gz UBSDHBWCBLNHSE-NSHDSACASA-N 1 0 320.480 1.903 10 0 DDAERO CC[NH2+]C[C@@H]1CCCCN1S(=O)(=O)NC(C1CC1)C1CC1 ZINC000088999015 192690362 /nfs/dbraw/zinc/69/03/62/192690362.db2.gz KZDOIZLUXRKFFB-AWEZNQCLSA-N 1 0 315.483 1.473 10 0 DDAERO Cc1cc(CNC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)on1 ZINC000184986027 199791478 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C[C@@H]1CN(c2ccc(I)cn2)C[C@H]1C[NH3+] ZINC000600864020 358332222 /nfs/dbraw/zinc/33/22/22/358332222.db2.gz VJIRNXPCGHZMLD-RKDXNWHRSA-N 1 0 317.174 1.717 10 0 DDAERO CCC[NH2+]CCCS(=O)(=O)N(C)c1ccc(OC)cc1 ZINC000089014961 192700227 /nfs/dbraw/zinc/70/02/27/192700227.db2.gz LYTBEYSALOSORS-UHFFFAOYSA-N 1 0 300.424 1.851 10 0 DDAERO CCC1(C)CCN(S(=O)(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000089028453 192709053 /nfs/dbraw/zinc/70/90/53/192709053.db2.gz IIGRDXHJQAMTLC-CYBMUJFWSA-N 1 0 303.472 1.557 10 0 DDAERO CC[NH2+]C[C@@H]1CCCN(S(=O)(=O)N2CCCC2(C)C)C1 ZINC000089035023 192710022 /nfs/dbraw/zinc/71/00/22/192710022.db2.gz SSJSNICTXBESIG-ZDUSSCGKSA-N 1 0 303.472 1.427 10 0 DDAERO CCc1nn(C)c(CN2C[C@@H](C)[NH2+]C[C@@H]2C)c1Br ZINC000089323062 192766792 /nfs/dbraw/zinc/76/67/92/192766792.db2.gz IWNLNSRAWDSTSH-ZJUUUORDSA-N 1 0 315.259 1.927 10 0 DDAERO CC[NH2+]CC1(CN2CCS(=O)(=O)CC2)CCC(C)CC1 ZINC000089580613 192820430 /nfs/dbraw/zinc/82/04/30/192820430.db2.gz LGYQWSSMBSXPBY-UHFFFAOYSA-N 1 0 302.484 1.523 10 0 DDAERO CCc1ccc([C@@H](C)NC(=O)NCC[N@H+](CC)CCO)cc1 ZINC000187081896 200058206 /nfs/dbraw/zinc/05/82/06/200058206.db2.gz VKHKQENXOILYDD-CQSZACIVSA-N 1 0 307.438 1.923 10 0 DDAERO C[C@H](CC(=O)NCC[S@@](=O)C(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000237636088 202312536 /nfs/dbraw/zinc/31/25/36/202312536.db2.gz DQPLRLAHQZDLFI-VFGMZZLHSA-N 1 0 302.484 1.676 10 0 DDAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000237895705 202382656 /nfs/dbraw/zinc/38/26/56/202382656.db2.gz XVZZYMDOCSYXSU-CABCVRRESA-N 1 0 301.390 1.989 10 0 DDAERO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1c(F)cc(F)cc1F ZINC000063194254 296024074 /nfs/dbraw/zinc/02/40/74/296024074.db2.gz CYHROLXBURIHNA-PELKAZGASA-N 1 0 322.352 1.994 10 0 DDAERO [NH3+][C@H](C(=O)NC[C@@H]1CCCN1c1cccnn1)c1ccccc1 ZINC000262712781 283612435 /nfs/dbraw/zinc/61/24/35/283612435.db2.gz RWYZIPVMRHFQIS-HOCLYGCPSA-N 1 0 311.389 1.262 10 0 DDAERO CC(C)C[C@H](C(=O)N[C@H]1CCC[NH2+][C@H]1C)N1CCCCC1=O ZINC000193594853 201082681 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[NH3+]C[C@@H](O)c1nc(-c2cc(F)cc(Br)c2)no1 ZINC000091330185 193041470 /nfs/dbraw/zinc/04/14/70/193041470.db2.gz KANGYPYLYHOJJQ-MRVPVSSYSA-N 1 0 302.103 1.630 10 0 DDAERO Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)CN3CCOCC3)C2)n1 ZINC000091512079 193067489 /nfs/dbraw/zinc/06/74/89/193067489.db2.gz POZQJOWPFXHLRZ-DLBZAZTESA-N 1 0 318.465 1.845 10 0 DDAERO Cc1nc(NC(=O)[C@@]2(C)COC[C@H]2[NH3+])ccc1Br ZINC000091507352 193067550 /nfs/dbraw/zinc/06/75/50/193067550.db2.gz HBHFTXDZHZJUCW-SKDRFNHKSA-N 1 0 314.183 1.455 10 0 DDAERO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)CN2CCOCC2)C1 ZINC000091553367 193072270 /nfs/dbraw/zinc/07/22/70/193072270.db2.gz YABKMNMQUKEROS-GJZGRUSLSA-N 1 0 307.442 1.198 10 0 DDAERO COCC[NH2+]C[C@H](O)Cc1cc(OC)ccc1Br ZINC000091470602 193060428 /nfs/dbraw/zinc/06/04/28/193060428.db2.gz VFRYALOUIWQKFC-LLVKDONJSA-N 1 0 318.211 1.597 10 0 DDAERO C[N@H+](CCNS(=O)(=O)c1c[nH]c2cc(N)ccc21)C1CC1 ZINC000091500292 193065118 /nfs/dbraw/zinc/06/51/18/193065118.db2.gz CBHAGYZPGSUEGD-UHFFFAOYSA-N 1 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1.187 10 0 DDAERO Cc1cc(N)cc(C)c1S(=O)(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000093648780 193285616 /nfs/dbraw/zinc/28/56/16/193285616.db2.gz YLRGHIMBHKLOSP-CYBMUJFWSA-N 1 0 311.451 1.458 10 0 DDAERO CC(C)OCCS(=O)(=O)N(C)[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000093664794 193286591 /nfs/dbraw/zinc/28/65/91/193286591.db2.gz FNYZPDBRCLHLMF-KGLIPLIRSA-N 1 0 306.472 1.581 10 0 DDAERO CC(C)[NH2+][C@]1(C(N)=O)CC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000093833479 193314686 /nfs/dbraw/zinc/31/46/86/193314686.db2.gz XCTMKPOUIWBQND-JOYOIKCWSA-N 1 0 304.316 1.849 10 0 DDAERO CN(CC1CC[NH2+]CC1)S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000094023800 193339002 /nfs/dbraw/zinc/33/90/02/193339002.db2.gz HEFUDVMGCHJFSY-UHFFFAOYSA-N 1 0 310.419 1.242 10 0 DDAERO CC[NH2+][C@H](Cc1c(Cl)c(C)nn1C)[C@@H]1CN(CC)CCO1 ZINC000093914986 193328124 /nfs/dbraw/zinc/32/81/24/193328124.db2.gz ARECZHRTYVPHEQ-OCCSQVGLSA-N 1 0 314.861 1.623 10 0 DDAERO CCn1nc(C)c(Cl)c1C[C@@H]([NH3+])[C@@H]1CN(C(C)C)CCO1 ZINC000093926007 193328130 /nfs/dbraw/zinc/32/81/30/193328130.db2.gz SSHWXXABVDUFNF-OCCSQVGLSA-N 1 0 314.861 1.844 10 0 DDAERO CN(CCS(C)(=O)=O)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000094300243 193357486 /nfs/dbraw/zinc/35/74/86/193357486.db2.gz ZWKLORWSEIKXQH-UHFFFAOYSA-N 1 0 320.499 1.148 10 0 DDAERO CC(C)C[NH2+]Cc1ccc(CN(C)CCS(C)(=O)=O)o1 ZINC000094300833 193358347 /nfs/dbraw/zinc/35/83/47/193358347.db2.gz OTINCASUNNJSMG-UHFFFAOYSA-N 1 0 302.440 1.502 10 0 DDAERO CN(CCS(C)(=O)=O)CC1(c2ccccc2)CC[NH2+]CC1 ZINC000094301974 193358416 /nfs/dbraw/zinc/35/84/16/193358416.db2.gz SAWPCYFCJPGOOW-UHFFFAOYSA-N 1 0 310.463 1.284 10 0 DDAERO CN(CCS(C)(=O)=O)c1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334369 193360691 /nfs/dbraw/zinc/36/06/91/193360691.db2.gz VLWJWWQBIXOFSE-UHFFFAOYSA-N 1 0 311.329 1.040 10 0 DDAERO CC[C@@H]1CN(c2nc(C(F)(F)F)ccc2C(N)=[NH2+])CCO1 ZINC000094336668 193360828 /nfs/dbraw/zinc/36/08/28/193360828.db2.gz ROVMSYIRFOUSBQ-MRVPVSSYSA-N 1 0 302.300 2.000 10 0 DDAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(Br)cc1O ZINC000094345139 193362634 /nfs/dbraw/zinc/36/26/34/193362634.db2.gz MRFUPJUJZOMPES-KCJUWKMLSA-N 1 0 313.195 1.883 10 0 DDAERO COC(=O)COC[C@H]([NH3+])c1ccc(F)c(Br)c1 ZINC000094071822 193343287 /nfs/dbraw/zinc/34/32/87/193343287.db2.gz HWIHGIWSRTYEGL-JTQLQIEISA-N 1 0 306.131 1.778 10 0 DDAERO CC[NH+](CC)CCCNS(=O)(=O)c1cc(N)cc(F)c1C ZINC000094359187 193365209 /nfs/dbraw/zinc/36/52/09/193365209.db2.gz MELRLAYGIOQCEP-UHFFFAOYSA-N 1 0 317.430 1.727 10 0 DDAERO COc1cccc(C[NH3+])c1O[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094634475 193386537 /nfs/dbraw/zinc/38/65/37/193386537.db2.gz CNXKWARTPLSITE-STQMWFEESA-N 1 0 313.419 1.889 10 0 DDAERO CN(C)C1([C@H]([NH3+])[C@@H]2CCC[C@H](S(C)(=O)=O)C2)CCCC1 ZINC000094642925 193388725 /nfs/dbraw/zinc/38/87/25/193388725.db2.gz CDUBFLMMRHNDSB-HZSPNIEDSA-N 1 0 302.484 1.792 10 0 DDAERO C[C@H](CN1CCOCC1)[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000094369997 193366677 /nfs/dbraw/zinc/36/66/77/193366677.db2.gz KPMUHXFJBJKHMK-CABCVRRESA-N 1 0 314.495 1.742 10 0 DDAERO COCC[NH2+]CC[C@@](C)(O)[C@H]1CCOC2(CCOCC2)C1 ZINC000094418788 193369090 /nfs/dbraw/zinc/36/90/90/193369090.db2.gz RSIHMDVQHJTGBP-LSDHHAIUSA-N 1 0 301.427 1.339 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(N)cc1F ZINC000094457218 193371883 /nfs/dbraw/zinc/37/18/83/193371883.db2.gz HAZVJCOWWUPJDE-ZYHUDNBSSA-N 1 0 313.398 1.265 10 0 DDAERO C[NH2+][C@@H](Cc1nc2ccccc2s1)[C@@H]1CN2CCN1CC2 ZINC000094509109 193375256 /nfs/dbraw/zinc/37/52/56/193375256.db2.gz BDDSVSBPWAWIJH-KBPBESRZSA-N 1 0 302.447 1.427 10 0 DDAERO [NH3+][C@@H](Cc1cc(Cl)ccc1Cl)[C@@H]1CN2CCN1CC2 ZINC000094508320 193375824 /nfs/dbraw/zinc/37/58/24/193375824.db2.gz JMTRVDFPICHMEK-KBPBESRZSA-N 1 0 300.233 1.863 10 0 DDAERO CCN(c1nc2c(Br)cccn2n1)[C@H]1CC[NH2+]C1 ZINC000094608111 193384828 /nfs/dbraw/zinc/38/48/28/193384828.db2.gz ZCOYCKGUHPZBLT-VIFPVBQESA-N 1 0 310.199 1.680 10 0 DDAERO C[NH+](C)C[C@H]1C[C@H](O)CN1C(=O)CCSc1ccccc1 ZINC000097250825 193698910 /nfs/dbraw/zinc/69/89/10/193698910.db2.gz DTRULKPYWJPRCM-KGLIPLIRSA-N 1 0 308.447 1.692 10 0 DDAERO CN1CCN([C@@H](C[NH3+])c2ccc(Br)s2)CC1 ZINC000019276451 182112187 /nfs/dbraw/zinc/11/21/87/182112187.db2.gz GLGJPNSLQQKFDV-VIFPVBQESA-N 1 0 304.257 1.758 10 0 DDAERO CC[NH+]1CCN(c2ccc(NC(=O)C(F)(F)F)cn2)CC1 ZINC000020376924 182212911 /nfs/dbraw/zinc/21/29/11/182212911.db2.gz FKYRADCBPAUWRX-UHFFFAOYSA-N 1 0 302.300 1.724 10 0 DDAERO Cc1cc(-c2ccccc2)nn(CCN2CC[NH+](C)CC2)c1=O ZINC000022042285 182306413 /nfs/dbraw/zinc/30/64/13/182306413.db2.gz QCPTVEILVXHXPE-UHFFFAOYSA-N 1 0 312.417 1.466 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)CC2(O)CCCC2)C[C@@H]1CC ZINC000174919640 248387501 /nfs/dbraw/zinc/38/75/01/248387501.db2.gz ZHDRISUYTZTXSK-HNNXBMFYSA-N 1 0 312.454 1.641 10 0 DDAERO COc1cc(C[NH3+])cc(Br)c1OCCOCCO ZINC000040228727 183047857 /nfs/dbraw/zinc/04/78/57/183047857.db2.gz FGVXEKPUOMJXNB-UHFFFAOYSA-N 1 0 320.183 1.304 10 0 DDAERO C[NH+](C)CCNC(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000040312293 183053502 /nfs/dbraw/zinc/05/35/02/183053502.db2.gz SKRPIBVGQZLWJL-UHFFFAOYSA-N 1 0 300.284 1.873 10 0 DDAERO CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000333851591 249126699 /nfs/dbraw/zinc/12/66/99/249126699.db2.gz QBXGEAOHFCAUCH-MQYQWHSLSA-N 1 0 321.425 1.173 10 0 DDAERO CCC[NH+]1CCC(NS(=O)(=O)c2cnc(Cl)nc2)CC1 ZINC000040805258 183136405 /nfs/dbraw/zinc/13/64/05/183136405.db2.gz LBBJGBXOWLNVPB-UHFFFAOYSA-N 1 0 318.830 1.283 10 0 DDAERO NC(=O)c1ccsc1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000040859500 183143362 /nfs/dbraw/zinc/14/33/62/183143362.db2.gz YNVHEDIKPOIUIA-NSHDSACASA-N 1 0 305.359 1.061 10 0 DDAERO CC[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC(=O)OC)cc1 ZINC000041041301 183159064 /nfs/dbraw/zinc/15/90/64/183159064.db2.gz FRZPYUFHIOFFFT-LLVKDONJSA-N 1 0 314.407 1.199 10 0 DDAERO Cc1cccc([C@H](NC(=O)CC[NH+](C)C)c2nccn2C)c1 ZINC000041536558 183199905 /nfs/dbraw/zinc/19/99/05/183199905.db2.gz WFAMSWDVKOGFPM-INIZCTEOSA-N 1 0 300.406 1.886 10 0 DDAERO Cc1ccc(N2C(=O)CC[C@H]2C(=O)NCCC[NH+](C)C)cc1 ZINC000041458444 183192695 /nfs/dbraw/zinc/19/26/95/183192695.db2.gz MYKQEMVQTNTQFK-HNNXBMFYSA-N 1 0 303.406 1.558 10 0 DDAERO C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ccc(S(C)(=O)=O)cc1 ZINC000042171548 183238261 /nfs/dbraw/zinc/23/82/61/183238261.db2.gz KEDIVPREJNYXKK-WCQYABFASA-N 1 0 310.419 1.409 10 0 DDAERO CCNC(=O)[C@H](C)Oc1c(Br)cccc1C[NH3+] ZINC000042411329 183265582 /nfs/dbraw/zinc/26/55/82/183265582.db2.gz QERWAAMPMAJNKM-QMMMGPOBSA-N 1 0 301.184 1.811 10 0 DDAERO C[C@@H](COc1c(Br)cccc1CC[NH3+])C(N)=O ZINC000042412708 183265984 /nfs/dbraw/zinc/26/59/84/183265984.db2.gz RMWICDQUDFKWPO-QMMMGPOBSA-N 1 0 301.184 1.451 10 0 DDAERO CCNC(=O)COc1c(Br)cccc1C[C@@H](C)[NH3+] ZINC000042412802 183266852 /nfs/dbraw/zinc/26/68/52/183266852.db2.gz XXKHYFQXXONYCM-SECBINFHSA-N 1 0 315.211 1.854 10 0 DDAERO CNC(=O)[C@@H]1CCCCN1c1nc2sccn2c1C[NH2+]C ZINC000042424022 183268594 /nfs/dbraw/zinc/26/85/94/183268594.db2.gz LPGHQQZUBSLDLT-JTQLQIEISA-N 1 0 307.423 1.220 10 0 DDAERO COCC[N@H+](CCC(=O)N(C)CCC(N)=S)CC(C)C ZINC000042369219 183259774 /nfs/dbraw/zinc/25/97/74/183259774.db2.gz BOWZGJYOUMGMLL-UHFFFAOYSA-N 1 0 303.472 1.116 10 0 DDAERO CC[C@H]([NH3+])[C@H](c1ccc(F)cc1)N1CCS(=O)(=O)CC1 ZINC000042914417 183318187 /nfs/dbraw/zinc/31/81/87/183318187.db2.gz LDZQVOPVVJPIFV-KBPBESRZSA-N 1 0 300.399 1.335 10 0 DDAERO CC[C@H]([NH3+])[C@H](c1ccc(C)cc1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000042914720 183318500 /nfs/dbraw/zinc/31/85/00/183318500.db2.gz KGGMZJMNKDFLRN-PMPSAXMXSA-N 1 0 310.463 1.892 10 0 DDAERO [NH3+]C[C@@H](c1ccc(Br)s1)N(CCO)C1CC1 ZINC000043262739 183348804 /nfs/dbraw/zinc/34/88/04/183348804.db2.gz ZHNCQZLGSKVJID-VIFPVBQESA-N 1 0 305.241 1.967 10 0 DDAERO C[C@@H](C[C@H](C[NH3+])N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000043534856 183370517 /nfs/dbraw/zinc/37/05/17/183370517.db2.gz KZEOYPYPGUPSGR-NUEKZKHPSA-N 1 0 310.463 1.626 10 0 DDAERO CCC[NH2+][C@H]1CCC2(C[C@H]1N(C)[C@@H](C)COC)OCCO2 ZINC000043969505 183391165 /nfs/dbraw/zinc/39/11/65/183391165.db2.gz XCLIQGPSKLZEEN-SOUVJXGZSA-N 1 0 300.443 1.617 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc2c1OCC(=O)N2 ZINC000104832007 194045320 /nfs/dbraw/zinc/04/53/20/194045320.db2.gz DBRZHYQXPOAZHF-NSHDSACASA-N 1 0 303.362 1.232 10 0 DDAERO CO[C@H]1C[C@@H](CN(C)C(=O)Cc2c[nH]c3ccccc23)[N@H+](C)C1 ZINC000284788876 218177575 /nfs/dbraw/zinc/17/75/75/218177575.db2.gz YXFJPAUNYYPYSI-GJZGRUSLSA-N 1 0 315.417 1.888 10 0 DDAERO CC(=O)N1CCN(c2cc(N3CCC[C@H](C)C3)ncn2)CC1 ZINC000105785254 194125388 /nfs/dbraw/zinc/12/53/88/194125388.db2.gz RGXZEHWNDHWSLM-ZDUSSCGKSA-N 1 0 303.410 1.381 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(Cc2nc(-c3ccsc3)no2)C[C@@H]1C ZINC000105822910 194138141 /nfs/dbraw/zinc/13/81/41/194138141.db2.gz IEFIZUXGZAFLBV-NWDGAFQWSA-N 1 0 322.434 1.685 10 0 DDAERO CC[C@@H]1CN(Cc2nc(CC(C)C)no2)CC[N@@H+]1C[C@@H](C)O ZINC000105826695 194138229 /nfs/dbraw/zinc/13/82/29/194138229.db2.gz IMQZCFFTNBIGPM-ZIAGYGMSSA-N 1 0 310.442 1.545 10 0 DDAERO C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105805102 194133707 /nfs/dbraw/zinc/13/37/07/194133707.db2.gz IMOCWHJEMLWVBY-GFCCVEGCSA-N 1 0 305.426 1.656 10 0 DDAERO CCCc1noc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000105862518 194150021 /nfs/dbraw/zinc/15/00/21/194150021.db2.gz NNOPSERPMCITAX-ZDUSSCGKSA-N 1 0 310.442 1.547 10 0 DDAERO CCC[C@H](C)NC(=O)[C@@H](C)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000105836739 194142080 /nfs/dbraw/zinc/14/20/80/194142080.db2.gz WKBXFQIKSVOPHM-ARFHVFGLSA-N 1 0 313.486 1.722 10 0 DDAERO Cn1cc(C[N@@H+]2CCCN(Cc3nccn3C(F)F)CC2)cn1 ZINC000105869566 194151651 /nfs/dbraw/zinc/15/16/51/194151651.db2.gz OUUJTGKJDCCOQR-UHFFFAOYSA-N 1 0 324.379 1.720 10 0 DDAERO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000105882529 194156052 /nfs/dbraw/zinc/15/60/52/194156052.db2.gz MGZJOBIJHALDPB-OAHLLOKOSA-N 1 0 314.389 1.977 10 0 DDAERO CC[C@@H]1CN(CCC(=O)OC(C)(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000105912524 194168963 /nfs/dbraw/zinc/16/89/63/194168963.db2.gz PMGJIWCBZJCILX-ZIAGYGMSSA-N 1 0 300.443 1.495 10 0 DDAERO C[C@H](NC(=O)CN1CCO[C@H](C[NH+](C)C)C1)c1cccs1 ZINC000105927649 194172613 /nfs/dbraw/zinc/17/26/13/194172613.db2.gz BRHJJCUCJVDCKH-QWHCGFSZSA-N 1 0 311.451 1.188 10 0 DDAERO COCC[N@@H+]1CCN(Cc2cnn(-c3ccccc3)n2)C[C@H]1C ZINC000106107649 194185784 /nfs/dbraw/zinc/18/57/84/194185784.db2.gz UZYLRSFGZLLDAQ-OAHLLOKOSA-N 1 0 315.421 1.420 10 0 DDAERO C[C@@H]1CCC[C@](C[NH3+])(N(C)S(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000050092905 183772640 /nfs/dbraw/zinc/77/26/40/183772640.db2.gz WRBKCORCDVXFRN-ILXRZTDVSA-N 1 0 317.499 1.803 10 0 DDAERO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccnc(NC)c1 ZINC000050673284 183798480 /nfs/dbraw/zinc/79/84/80/183798480.db2.gz QXJDIHDCDYCRBP-NSHDSACASA-N 1 0 300.428 1.132 10 0 DDAERO C[C@H](C(N)=S)[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000109457939 194265775 /nfs/dbraw/zinc/26/57/75/194265775.db2.gz VFXUECMSGXRFEL-LLVKDONJSA-N 1 0 309.410 1.187 10 0 DDAERO COc1ccc(CN2CC[NH+]([C@@H](C)C(N)=S)CC2)cc1F ZINC000109468359 194266962 /nfs/dbraw/zinc/26/69/62/194266962.db2.gz OQSHGKAITIKZOA-NSHDSACASA-N 1 0 311.426 1.627 10 0 DDAERO CC[C@@]([NH2+]CCOC)(C(N)=O)c1ccc(Br)cc1 ZINC000053259622 183896809 /nfs/dbraw/zinc/89/68/09/183896809.db2.gz HFAKUENRXRICGV-ZDUSSCGKSA-N 1 0 315.211 1.776 10 0 DDAERO O=S(=O)(c1ccc(O)cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000110432288 194329024 /nfs/dbraw/zinc/32/90/24/194329024.db2.gz NSPGVHZJFPDHFC-CYBMUJFWSA-N 1 0 310.419 1.641 10 0 DDAERO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)c(N)c2)CCN1C ZINC000110700043 194351743 /nfs/dbraw/zinc/35/17/43/194351743.db2.gz JZZXJRBRYPOHTH-LLVKDONJSA-N 1 0 310.829 1.887 10 0 DDAERO CN(CC[NH+](C)C)C(=O)c1cc(N)ccc1Br ZINC000111129300 194393163 /nfs/dbraw/zinc/39/31/63/194393163.db2.gz HDYOMGHLYCHEPV-UHFFFAOYSA-N 1 0 300.200 1.665 10 0 DDAERO CN(CC1CCOCC1)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000111178853 194399484 /nfs/dbraw/zinc/39/94/84/194399484.db2.gz FHJXCQUKAUDCOX-AWEZNQCLSA-N 1 0 304.456 1.207 10 0 DDAERO CC[NH2+][C@](C)(CCCC[N@H+](C)C[C@@H]1CCCOC1)C(=O)[O-] ZINC000111169655 194398579 /nfs/dbraw/zinc/39/85/79/194398579.db2.gz PMLHRRRLNSYDFX-GOEBONIOSA-N 1 0 300.443 1.968 10 0 DDAERO C[NH+](C)CCN1CCN(C(=O)c2cc(Cl)ccc2O)CC1 ZINC000060285815 184145505 /nfs/dbraw/zinc/14/55/05/184145505.db2.gz FEMCSNQZNACGLE-UHFFFAOYSA-N 1 0 311.813 1.365 10 0 DDAERO CC(C)CN(CC[NH+](C)C)c1nc(Cl)nc(N(C)C)n1 ZINC000061540456 184173555 /nfs/dbraw/zinc/17/35/55/184173555.db2.gz ILFKPQMNTSYLLS-UHFFFAOYSA-N 1 0 300.838 1.615 10 0 DDAERO CCCn1c(S[C@H](c2cnn(C)c2)[C@@H]([NH3+])CC)n[nH]c1=O ZINC000061594810 184176401 /nfs/dbraw/zinc/17/64/01/184176401.db2.gz MPFMLWJNSPTPKF-WDEREUQCSA-N 1 0 310.427 1.286 10 0 DDAERO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(N)c1 ZINC000061642472 184180604 /nfs/dbraw/zinc/18/06/04/184180604.db2.gz FGOMJTMVSCMWOM-JTQLQIEISA-N 1 0 301.387 1.123 10 0 DDAERO CCCc1nc(N2CCN(CC[NH+](C)C)CC2)sc1C=O ZINC000061655559 184181071 /nfs/dbraw/zinc/18/10/71/184181071.db2.gz NKXIIWRZVKTXFW-UHFFFAOYSA-N 1 0 310.467 1.592 10 0 DDAERO C[NH+](C)C[C@@H]1CCCN1c1nc(Cl)nc(-n2ccnc2)n1 ZINC000061654792 184181086 /nfs/dbraw/zinc/18/10/86/184181086.db2.gz ZQGSYIFBIKNHSL-JTQLQIEISA-N 1 0 307.789 1.241 10 0 DDAERO C[C@H](c1ccc(Cl)cc1)N(C)CC[NH2+]CCS(C)(=O)=O ZINC000062020503 184201684 /nfs/dbraw/zinc/20/16/84/184201684.db2.gz LRXCKEWWRMOXJH-GFCCVEGCSA-N 1 0 318.870 1.967 10 0 DDAERO C[C@@H]1CC[C@H](CNC(=O)c2cccc(S(C)(=O)=O)c2)C[NH2+]1 ZINC000062036695 184202989 /nfs/dbraw/zinc/20/29/89/184202989.db2.gz WBRGIBQDEYKDPS-NEPJUHHUSA-N 1 0 310.419 1.208 10 0 DDAERO COc1ccc(CNS(=O)(=O)c2cccc(C[NH3+])c2)cn1 ZINC000062074033 184204546 /nfs/dbraw/zinc/20/45/46/184204546.db2.gz LOEKOAIJMZOQNI-UHFFFAOYSA-N 1 0 307.375 1.027 10 0 DDAERO [NH3+]C[C@@H](c1ccccc1Br)N1CCNC(=O)CC1 ZINC000062099511 184206051 /nfs/dbraw/zinc/20/60/51/184206051.db2.gz CWZHDVKYQIHILO-LBPRGKRZSA-N 1 0 312.211 1.271 10 0 DDAERO CC[C@](C)(C[NH2+]CC(C)C)CN1CCN(S(C)(=O)=O)CC1 ZINC000062096223 184206099 /nfs/dbraw/zinc/20/60/99/184206099.db2.gz IOXHNYAPIDAYTP-OAHLLOKOSA-N 1 0 319.515 1.226 10 0 DDAERO O=C(NCc1cc(Br)ccc1F)[C@@H]1CC[NH2+]C1 ZINC000062116378 184206414 /nfs/dbraw/zinc/20/64/14/184206414.db2.gz HJRWIEKXFUNOSP-MRVPVSSYSA-N 1 0 301.159 1.814 10 0 DDAERO C[C@@H](CNC(=O)c1cc2ccc(F)cc2[nH]c1=O)[NH+]1CCCC1 ZINC000062348142 184231748 /nfs/dbraw/zinc/23/17/48/184231748.db2.gz MXNZFYRGGQETGB-NSHDSACASA-N 1 0 317.364 1.881 10 0 DDAERO COCC[NH2+]Cc1c(N(CCO)C(C)C)nc2sccn12 ZINC000062737597 184251874 /nfs/dbraw/zinc/25/18/74/184251874.db2.gz VFCJNAFUMRZTHW-UHFFFAOYSA-N 1 0 312.439 1.339 10 0 DDAERO C[C@H]1CN[C@@H](C(=O)NCc2ccc(C(F)(F)F)cc2)C[NH2+]1 ZINC000062815665 184254006 /nfs/dbraw/zinc/25/40/06/184254006.db2.gz OKYHCCINWIMUHZ-JOYOIKCWSA-N 1 0 301.312 1.272 10 0 DDAERO CCC1(C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC[NH2+]CC1 ZINC000062848507 184256598 /nfs/dbraw/zinc/25/65/98/184256598.db2.gz LELINJMBTZISCF-UHFFFAOYSA-N 1 0 311.407 1.203 10 0 DDAERO O=S(=O)(NOCC[NH+]1CCCC1)c1ccc(Cl)s1 ZINC000062578399 184244289 /nfs/dbraw/zinc/24/42/89/184244289.db2.gz XAJSVTPBVHHFBX-UHFFFAOYSA-N 1 0 310.828 1.707 10 0 DDAERO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc(C)cc2N)C1 ZINC000062975677 184263842 /nfs/dbraw/zinc/26/38/42/184263842.db2.gz LLMQLVDYKXFXAJ-CYBMUJFWSA-N 1 0 311.451 1.682 10 0 DDAERO CC[C@@H]([NH3+])[C@@H](c1ccsc1)N1CC[C@H](N2CCOCC2)C1 ZINC000062977882 184264248 /nfs/dbraw/zinc/26/42/48/184264248.db2.gz MNVDVVXOGNCETL-ARFHVFGLSA-N 1 0 309.479 1.933 10 0 DDAERO Nc1ccc(F)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000062975740 184264294 /nfs/dbraw/zinc/26/42/94/184264294.db2.gz SSRBKJJOJFUOBY-GFCCVEGCSA-N 1 0 313.398 1.267 10 0 DDAERO CC[NH+](CC)CCCNC(=O)c1cc(F)c(NN)c(F)c1 ZINC000063007685 184265915 /nfs/dbraw/zinc/26/59/15/184265915.db2.gz UWBLWULCTCGTQK-UHFFFAOYSA-N 1 0 300.353 1.712 10 0 DDAERO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)c(N)c1 ZINC000063120198 184271673 /nfs/dbraw/zinc/27/16/73/184271673.db2.gz BSMISXHSAZACKW-UHFFFAOYSA-N 1 0 315.414 1.370 10 0 DDAERO [NH3+]CC1(NS(=O)(=O)C[C@H]2CCCO2)CCCCCCC1 ZINC000063154825 184274421 /nfs/dbraw/zinc/27/44/21/184274421.db2.gz IGROGXAZPZQDJU-CYBMUJFWSA-N 1 0 304.456 1.527 10 0 DDAERO [NH3+]CCCN(C1CCCCCC1)S(=O)(=O)C[C@@H]1CCCO1 ZINC000063154856 184274438 /nfs/dbraw/zinc/27/44/38/184274438.db2.gz COJVTPXJOZRMII-HNNXBMFYSA-N 1 0 318.483 1.869 10 0 DDAERO C[NH2+]CC1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000063159862 184275258 /nfs/dbraw/zinc/27/52/58/184275258.db2.gz LUYJGMCSFUMAFD-UHFFFAOYSA-N 1 0 304.362 1.585 10 0 DDAERO [NH3+][C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000063175485 184276132 /nfs/dbraw/zinc/27/61/32/184276132.db2.gz PVYJJUUMJCJTMU-BDAKNGLRSA-N 1 0 324.324 1.743 10 0 DDAERO Cc1cc(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH3+])ccc1OC(C)C ZINC000063176185 184276855 /nfs/dbraw/zinc/27/68/55/184276855.db2.gz KHFBRDCCZVXOIS-KBPBESRZSA-N 1 0 312.435 1.940 10 0 DDAERO CC(=O)N(CCc1ccc(F)cc1)CC1=CCC[N@H+](CCO)C1 ZINC000065386092 184333206 /nfs/dbraw/zinc/33/32/06/184333206.db2.gz VTCGRACKVSQJRI-UHFFFAOYSA-N 1 0 320.408 1.841 10 0 DDAERO Cc1cc(CN(C)C2CC[NH+](CCn3cccn3)CC2)no1 ZINC000105863203 291885707 /nfs/dbraw/zinc/88/57/07/291885707.db2.gz BIYGCBMUCGHGTN-UHFFFAOYSA-N 1 0 303.410 1.776 10 0 DDAERO CSCC[C@H]([NH3+])C(=O)NCc1nc(-c2ccccc2)c[nH]1 ZINC000157249671 197173096 /nfs/dbraw/zinc/17/30/96/197173096.db2.gz RSDWWEJZMBPXPF-LBPRGKRZSA-N 1 0 304.419 1.773 10 0 DDAERO CC(C)CCOc1ccccc1CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000153937585 196923090 /nfs/dbraw/zinc/92/30/90/196923090.db2.gz XSANWGJSTGDKQT-GJZGRUSLSA-N 1 0 306.406 1.451 10 0 DDAERO C[C@H]1C[N@@H+](C2CCN(C(=O)CCc3ccnn3C)CC2)CCO1 ZINC000120503789 195179356 /nfs/dbraw/zinc/17/93/56/195179356.db2.gz ICLKASGAQUTDFW-AWEZNQCLSA-N 1 0 320.437 1.064 10 0 DDAERO CC(C)[N@@H+]1C[C@H]2COC[C@@]2(CC(=O)NCc2cccnc2)C1 ZINC000248157997 257107798 /nfs/dbraw/zinc/10/77/98/257107798.db2.gz JMYWBZDORJURQJ-DOTOQJQBSA-N 1 0 303.406 1.445 10 0 DDAERO Cc1cccc(CN2CCC[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)n1 ZINC000247966020 257113519 /nfs/dbraw/zinc/11/35/19/257113519.db2.gz GMDVEZWTWOCYOE-DOTOQJQBSA-N 1 0 316.449 1.374 10 0 DDAERO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CCOC2)N1Cc1ccncc1 ZINC000247813174 257116763 /nfs/dbraw/zinc/11/67/63/257116763.db2.gz CASHZOMKZVQZLY-ARFHVFGLSA-N 1 0 301.390 1.436 10 0 DDAERO CCn1cc(CN2CCC[N@H+](Cc3c[nH]nc3C)CC2)cn1 ZINC000121651430 195324017 /nfs/dbraw/zinc/32/40/17/195324017.db2.gz CARAWPUCWSOPPI-UHFFFAOYSA-N 1 0 302.426 1.642 10 0 DDAERO [NH3+]C[C@@H]1CCCN1CC(=O)Nc1ccc(Br)cc1 ZINC000123388600 195576169 /nfs/dbraw/zinc/57/61/69/195576169.db2.gz LUUIVMLFNKMPKT-LBPRGKRZSA-N 1 0 312.211 1.811 10 0 DDAERO Cc1ccc(F)c(S(=O)(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])c1 ZINC000235629721 292119439 /nfs/dbraw/zinc/11/94/39/292119439.db2.gz DFAQVSIXVCVOLS-NWDGAFQWSA-N 1 0 300.399 1.882 10 0 DDAERO CCC(CC)[C@H](CN(C(C)C)S(C)(=O)=O)N1CC[NH2+]CC1 ZINC000222913414 407561915 /nfs/dbraw/zinc/56/19/15/407561915.db2.gz JCGLSTMUVNWAGM-HNNXBMFYSA-N 1 0 319.515 1.366 10 0 DDAERO CC(=O)Nc1ccc(N2CCN(CCC[NH+](C)C)CC2)cc1 ZINC000000001951 406616568 /nfs/dbraw/zinc/61/65/68/406616568.db2.gz DPCSPGOPQYRPCP-UHFFFAOYSA-N 1 0 304.438 1.719 10 0 in-man DDAERO Cn1cc(Br)cc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000071140134 406831740 /nfs/dbraw/zinc/83/17/40/406831740.db2.gz NOTPZFYXMYKYNZ-SNVBAGLBSA-N 1 0 300.200 1.564 10 0 DDAERO C[NH2+]CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12 ZINC000077287170 406983194 /nfs/dbraw/zinc/98/31/94/406983194.db2.gz IREINZNGILEJRP-UHFFFAOYSA-N 1 0 321.446 1.855 10 0 world DDAERO O=C1C(C[NH2+]CCN2CCCCC2)=CC2=CC=C[C@@H]3CCN1[C@@H]23 ZINC000039287522 407001456 /nfs/dbraw/zinc/00/14/56/407001456.db2.gz FWYQOOSWZOUVNJ-CRAIPNDOSA-N 1 0 313.445 1.715 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCN(C)c2ccccc2)C1 ZINC000052520131 407151612 /nfs/dbraw/zinc/15/16/12/407151612.db2.gz XDYLCQSESMTBGB-HNNXBMFYSA-N 1 0 304.438 1.906 10 0 DDAERO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H](C)C(C)C)CC1 ZINC000103595304 407342293 /nfs/dbraw/zinc/34/22/93/407342293.db2.gz FRSQITYDTWIUOR-CQSZACIVSA-N 1 0 312.458 1.227 10 0 DDAERO C[NH+](C)C[C@H]1CN(CC(=O)NCCC2CCCCC2)CCO1 ZINC000107305008 407372039 /nfs/dbraw/zinc/37/20/39/407372039.db2.gz ITNZFVTZEGAIKQ-INIZCTEOSA-N 1 0 311.470 1.335 10 0 DDAERO COCCN1CCN(C(=O)C2(CCOC)CCCC2)C[C@H]1C ZINC000125448367 407388566 /nfs/dbraw/zinc/38/85/66/407388566.db2.gz ATSQCEBSTOUXAR-OAHLLOKOSA-N 1 0 312.454 1.762 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)ccc2OC)C1 ZINC000127115488 407428471 /nfs/dbraw/zinc/42/84/71/407428471.db2.gz JZVQOIAQTWTPDX-LBPRGKRZSA-N 1 0 323.368 1.373 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCNC(=O)C(C)(C)C ZINC000113224906 407479309 /nfs/dbraw/zinc/47/93/09/407479309.db2.gz MUAYVVBRMFUHOQ-ZIAGYGMSSA-N 1 0 309.454 1.624 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCc1ccccn1 ZINC000178413703 407447412 /nfs/dbraw/zinc/44/74/12/407447412.db2.gz QTDCXLRIMHNEMU-GDBMZVCRSA-N 1 0 302.422 1.892 10 0 DDAERO OCC[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186086454 407571442 /nfs/dbraw/zinc/57/14/42/407571442.db2.gz ZGLYYXDBFIERGJ-ZDUSSCGKSA-N 1 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/nfs/dbraw/zinc/60/81/95/407608195.db2.gz IGRJTDIRAWVTFC-STQMWFEESA-N 1 0 311.451 1.317 10 0 DDAERO Cc1cc(NC(=O)C2([NH3+])CCOCC2)ccc1C(=O)NC(C)C ZINC000261774838 407609181 /nfs/dbraw/zinc/60/91/81/407609181.db2.gz GXISLBDQPDYVLZ-UHFFFAOYSA-N 1 0 319.405 1.580 10 0 DDAERO COc1ccc(O[C@@H](C)CNC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261782271 407614730 /nfs/dbraw/zinc/61/47/30/407614730.db2.gz HLZAPIGKEVWFNE-LBPRGKRZSA-N 1 0 308.378 1.087 10 0 DDAERO NNc1cc(-n2cc(I)cn2)cc[nH+]1 ZINC000227683453 407636610 /nfs/dbraw/zinc/63/66/10/407636610.db2.gz SJJQXKKPGKPXFS-UHFFFAOYSA-N 1 0 301.091 1.158 10 0 DDAERO Fc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)c1 ZINC000261871958 407651724 /nfs/dbraw/zinc/65/17/24/407651724.db2.gz DHBHOZPJNWLJIW-GVDBMIGSSA-N 1 0 308.397 1.951 10 0 DDAERO Cc1cnc(C)c(N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000261891280 407657630 /nfs/dbraw/zinc/65/76/30/407657630.db2.gz NURQMUDPGCAHHJ-LSDHHAIUSA-N 1 0 317.437 1.178 10 0 DDAERO COC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000114562799 407592510 /nfs/dbraw/zinc/59/25/10/407592510.db2.gz GPIPKUPMISXHTO-JKSUJKDBSA-N 1 0 307.390 1.449 10 0 DDAERO Cc1noc(C2CC2)c1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000129164970 407593180 /nfs/dbraw/zinc/59/31/80/407593180.db2.gz TVDPLOXCTWIFOS-LBPRGKRZSA-N 1 0 308.382 1.655 10 0 DDAERO CC(C)c1nnc(C[NH2+][C@H](CC(N)=O)C2CCCCC2)n1C ZINC000182040197 306701917 /nfs/dbraw/zinc/70/19/17/306701917.db2.gz LJZBZUDUKVDRPE-CYBMUJFWSA-N 1 0 307.442 1.852 10 0 DDAERO CC(C)CCn1cc(C(=O)N2CCN3CCCC[C@@H]3C2)nn1 ZINC000130356703 407681023 /nfs/dbraw/zinc/68/10/23/407681023.db2.gz XMNCMCBLNOMUBJ-CQSZACIVSA-N 1 0 305.426 1.635 10 0 DDAERO C[C@H](NC(=O)N(C)CCC[NH+](C)C)c1nnc2n1CCCC2 ZINC000186498908 407683725 /nfs/dbraw/zinc/68/37/25/407683725.db2.gz OHWJXICOCPLIEI-LBPRGKRZSA-N 1 0 308.430 1.269 10 0 DDAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000186503899 407686226 /nfs/dbraw/zinc/68/62/26/407686226.db2.gz BBLMUAGUQSYWOC-CHWSQXEVSA-N 1 0 322.453 1.027 10 0 DDAERO OC[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000186513226 407689245 /nfs/dbraw/zinc/68/92/45/407689245.db2.gz ZAYOQOLTWMLDDW-IHRRRGAJSA-N 1 0 310.781 1.261 10 0 DDAERO O=C(NCCOc1cccc(F)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171539518 407699143 /nfs/dbraw/zinc/69/91/43/407699143.db2.gz SCXYCMFIANBNAT-CQSZACIVSA-N 1 0 307.369 1.694 10 0 DDAERO [NH3+][C@H](C(=O)NC[C@H]1SCCc2ccccc21)C1CCOCC1 ZINC000262010176 407712423 /nfs/dbraw/zinc/71/24/23/407712423.db2.gz OBOFBMXUJVDCSV-CVEARBPZSA-N 1 0 320.458 1.887 10 0 DDAERO C[C@H]1CN(Cc2ccc(OCc3nccn3C)cc2)C[C@H]1[NH3+] ZINC000262032286 407717379 /nfs/dbraw/zinc/71/73/79/407717379.db2.gz OEDFGWXXVVAAOV-XJKSGUPXSA-N 1 0 300.406 1.778 10 0 DDAERO c1cc2c(c(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCCN3)c1)OCO2 ZINC000261905781 407662238 /nfs/dbraw/zinc/66/22/38/407662238.db2.gz IETXIHWDEGIWTP-RBSFLKMASA-N 1 0 304.390 1.662 10 0 DDAERO CC[N@H+](CC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1)C1CC1 ZINC000179164921 407740918 /nfs/dbraw/zinc/74/09/18/407740918.db2.gz PMHBCFQKYQEOQX-GFCCVEGCSA-N 1 0 305.426 1.317 10 0 DDAERO O=C(NCc1cccc(CO)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171710359 407747856 /nfs/dbraw/zinc/74/78/56/407747856.db2.gz VJNZYUPJAKPUQK-MRXNPFEDSA-N 1 0 303.406 1.559 10 0 DDAERO Cc1cc(CN(Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)on1 ZINC000262138608 407751212 /nfs/dbraw/zinc/75/12/12/407751212.db2.gz PGMYOKXKRROBKV-HNNXBMFYSA-N 1 0 315.421 1.861 10 0 DDAERO COC[C@@H]([NH3+])C(=O)NCCc1cc(Br)ccc1F ZINC000262197975 407764215 /nfs/dbraw/zinc/76/42/15/407764215.db2.gz CVHAYJWIXHJTPH-LLVKDONJSA-N 1 0 319.174 1.221 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N(C)CCc1ccc(Br)cc1 ZINC000262220266 407770853 /nfs/dbraw/zinc/77/08/53/407770853.db2.gz FQEDIKBAJBWDHT-GFCCVEGCSA-N 1 0 315.211 1.424 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)CCOC(C)C)C[C@H]1CC ZINC000116770776 407773404 /nfs/dbraw/zinc/77/34/04/407773404.db2.gz BFOWBXMKLAUZTH-OAHLLOKOSA-N 1 0 300.443 1.761 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(OCCOC)cc2)C1 ZINC000171808401 407773440 /nfs/dbraw/zinc/77/34/40/407773440.db2.gz JJSPMIOWZFZYNB-HNNXBMFYSA-N 1 0 306.406 1.926 10 0 DDAERO CCc1c(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)[nH]c(C)c1C(C)=O ZINC000116783727 407774131 /nfs/dbraw/zinc/77/41/31/407774131.db2.gz MIVYEWSIRXPSDX-ZDUSSCGKSA-N 1 0 321.421 1.491 10 0 DDAERO COc1cccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1OC ZINC000116798189 407780088 /nfs/dbraw/zinc/78/00/88/407780088.db2.gz PJCZEAJVOPCRII-LBPRGKRZSA-N 1 0 308.378 1.106 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)COc2ccc(Cl)cc2)CCO1 ZINC000116796499 407780505 /nfs/dbraw/zinc/78/05/05/407780505.db2.gz HKLSLJWMDLLNDY-CQSZACIVSA-N 1 0 312.797 1.508 10 0 DDAERO CCN(CC(=O)Nc1c(C)cccc1C)C(=O)[C@@H]([NH3+])COC ZINC000262288153 407784873 /nfs/dbraw/zinc/78/48/73/407784873.db2.gz MPYLWQDIZDXLNQ-ZDUSSCGKSA-N 1 0 307.394 1.064 10 0 DDAERO [NH3+]CC1(C(=O)NCc2cn3cc(Cl)ccc3n2)CCOCC1 ZINC000262313544 407793779 /nfs/dbraw/zinc/79/37/79/407793779.db2.gz QRJRHEVNWLXDAV-UHFFFAOYSA-N 1 0 322.796 1.359 10 0 DDAERO CC[C@@H](NC(=O)[C@H]([NH3+])COC)c1ccccc1OC(F)F ZINC000262311934 407794443 /nfs/dbraw/zinc/79/44/43/407794443.db2.gz PDNUATZXQGXYSB-GHMZBOCLSA-N 1 0 302.321 1.829 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cnc(N2CCOCC2)s1 ZINC000179558441 407806929 /nfs/dbraw/zinc/80/69/29/407806929.db2.gz QRTMVUHHWCFNNA-CQSZACIVSA-N 1 0 324.494 1.896 10 0 DDAERO CCOCCNC(=O)N1CC[N@H+](CCOCC)[C@H](CC)C1 ZINC000117029815 407807590 /nfs/dbraw/zinc/80/75/90/407807590.db2.gz IVXIXBQKTKASII-CQSZACIVSA-N 1 0 301.431 1.165 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)NC[C@@]2(C)CCCS2)CCO1 ZINC000153374876 407812911 /nfs/dbraw/zinc/81/29/11/407812911.db2.gz HNKVWQITVWCFDV-GXTWGEPZSA-N 1 0 301.456 1.244 10 0 DDAERO CN(C)S(=O)(=O)c1cccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000262416718 407829578 /nfs/dbraw/zinc/82/95/78/407829578.db2.gz DPMMVVOLKNCSIS-NUEKZKHPSA-N 1 0 323.462 1.106 10 0 DDAERO CCCn1nccc1NC(=O)N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000117399025 407833268 /nfs/dbraw/zinc/83/32/68/407833268.db2.gz RQXHSVNYAXUVFZ-AWEZNQCLSA-N 1 0 323.441 1.868 10 0 DDAERO COc1ccccc1CNC(=O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000262438860 407833386 /nfs/dbraw/zinc/83/33/86/407833386.db2.gz GOHRXHCICNMDTG-OAHLLOKOSA-N 1 0 305.422 1.385 10 0 DDAERO CS[C@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000172552391 407834173 /nfs/dbraw/zinc/83/41/73/407834173.db2.gz YYZMRVBSXGRWSP-CABCVRRESA-N 1 0 308.447 1.880 10 0 DDAERO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000238007321 407868141 /nfs/dbraw/zinc/86/81/41/407868141.db2.gz DJKKUBCFMGBGGY-CVEARBPZSA-N 1 0 321.465 1.755 10 0 DDAERO COC(=O)C1CCC(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000180358586 407880536 /nfs/dbraw/zinc/88/05/36/407880536.db2.gz UUSOEXXBVBFPAO-URGYJCLVSA-N 1 0 310.438 1.811 10 0 DDAERO Cc1cnn(CCNC(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000118063658 407882220 /nfs/dbraw/zinc/88/22/20/407882220.db2.gz TXXQVNUBIOZZOC-CQSZACIVSA-N 1 0 307.442 1.613 10 0 DDAERO 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CCC[NH2+][C@H]1c2ccccc2OC[C@H]1S(=O)(=O)CCOC ZINC000081944534 192344954 /nfs/dbraw/zinc/34/49/54/192344954.db2.gz IBLVQJLDCPVUFI-CABCVRRESA-N 1 0 313.419 1.550 10 0 DDAERO CCOc1ccc([C@H](CS(=O)(=O)CCOC)[NH2+]C)cc1 ZINC000081944917 192345123 /nfs/dbraw/zinc/34/51/23/192345123.db2.gz ITOBHQFVLYVAGL-AWEZNQCLSA-N 1 0 301.408 1.407 10 0 DDAERO CCCCN(C(=O)CC[C@@H](C)CC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000079118291 185159462 /nfs/dbraw/zinc/15/94/62/185159462.db2.gz BVAGLBUOJQVSBG-ZIAGYGMSSA-N 1 0 318.483 1.567 10 0 DDAERO CN(C(=O)CC[C@H](CC[NH3+])C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000079290449 185163557 /nfs/dbraw/zinc/16/35/57/185163557.db2.gz WJAGWMSHPMXVNQ-CHWSQXEVSA-N 1 0 318.483 1.423 10 0 DDAERO CC(C)(C)[C@H](CC[NH3+])CCC(=O)NC1CCS(=O)(=O)CC1 ZINC000079290426 185163563 /nfs/dbraw/zinc/16/35/63/185163563.db2.gz HTVRZMCUNDYNFR-LBPRGKRZSA-N 1 0 318.483 1.471 10 0 DDAERO CN(CCC[NH3+])S(=O)(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000079337727 185165725 /nfs/dbraw/zinc/16/57/25/185165725.db2.gz XTBDDCOLAIGQRQ-ZDUSSCGKSA-N 1 0 305.488 1.660 10 0 DDAERO C[C@H](CC[NH3+])CCC(=O)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000079190592 185161194 /nfs/dbraw/zinc/16/11/94/185161194.db2.gz RMYNISVJJOPMMR-NSHDSACASA-N 1 0 313.423 1.762 10 0 DDAERO CCC[C@H](CC[NH3+])CCC(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000079237418 185161998 /nfs/dbraw/zinc/16/19/98/185161998.db2.gz GKJDHBKCRADMAM-GXTWGEPZSA-N 1 0 304.456 1.225 10 0 DDAERO Cn1cncc1C[NH2+]C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328634376 231271404 /nfs/dbraw/zinc/27/14/04/231271404.db2.gz MSJKVVOGACZCGM-JTQLQIEISA-N 1 0 313.327 1.988 10 0 DDAERO CC(C)([C@@H](O)[C@H](C[NH3+])c1cc(F)cc(F)c1)S(C)(=O)=O ZINC000087382541 185223216 /nfs/dbraw/zinc/22/32/16/185223216.db2.gz GSJRIYVMBPFYHI-NEPJUHHUSA-N 1 0 307.362 1.191 10 0 DDAERO CC[C@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CCCO1 ZINC000128511307 539183461 /nfs/dbraw/zinc/18/34/61/539183461.db2.gz UYKLEAPJFPEXHA-SOUVJXGZSA-N 1 0 313.442 1.090 10 0 DDAERO CC[C@@H](C[NH3+])C(=O)Nc1cc(NS(C)(=O)=O)ccc1Cl ZINC000087519316 185227509 /nfs/dbraw/zinc/22/75/09/185227509.db2.gz SJYGUTLIVIAXPB-QMMMGPOBSA-N 1 0 319.814 1.635 10 0 DDAERO CC[C@H](C[NH3+])C(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000087532923 185227629 /nfs/dbraw/zinc/22/76/29/185227629.db2.gz RZYYDTAPTPXVKU-CHWSQXEVSA-N 1 0 311.451 1.223 10 0 DDAERO CC[C@H](C[NH3+])C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000087532085 185227697 /nfs/dbraw/zinc/22/76/97/185227697.db2.gz MHEPNGHNHIXUOG-SNVBAGLBSA-N 1 0 311.407 1.051 10 0 DDAERO [NH3+]CCCS(=O)(=O)NCc1sccc1Br ZINC000087575534 185228536 /nfs/dbraw/zinc/22/85/36/185228536.db2.gz OXIBQHGSPNKVFC-UHFFFAOYSA-N 1 0 313.242 1.279 10 0 DDAERO [NH3+]C1CN(Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000087590193 185229128 /nfs/dbraw/zinc/22/91/28/185229128.db2.gz QEEUURIXPJJSQV-UHFFFAOYSA-N 1 0 309.167 1.642 10 0 DDAERO O=C([C@H]1C[NH2+]Cc2ccccc21)N(CCO)CC(F)(F)F ZINC000087618060 185229252 /nfs/dbraw/zinc/22/92/52/185229252.db2.gz IXXHBRGZVIKIIG-LBPRGKRZSA-N 1 0 302.296 1.257 10 0 DDAERO OCC(CO)[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000087751085 185231538 /nfs/dbraw/zinc/23/15/38/185231538.db2.gz IJHZVHJOFBKPFK-GFCCVEGCSA-N 1 0 300.196 1.249 10 0 DDAERO CCOC(=O)CS(=O)(=O)[C@H]1CCCc2ccccc2[C@@H]1[NH3+] ZINC000081977459 192347785 /nfs/dbraw/zinc/34/77/85/192347785.db2.gz ANJWSWQWFMLCRH-ZFWWWQNUSA-N 1 0 311.403 1.369 10 0 DDAERO CC[NH2+][C@@H]1CCCCCC[C@H]1S(=O)(=O)CCC(=O)OC ZINC000081974916 192347867 /nfs/dbraw/zinc/34/78/67/192347867.db2.gz LKJOHOWDSFEUBY-CHWSQXEVSA-N 1 0 305.440 1.665 10 0 DDAERO COC(=O)CCS(=O)(=O)[C@H]1CCCc2ccccc2[C@@H]1[NH3+] ZINC000081974818 192347901 /nfs/dbraw/zinc/34/79/01/192347901.db2.gz FSTNLMCMLQMKFN-ZFWWWQNUSA-N 1 0 311.403 1.369 10 0 DDAERO COc1ccc(CS(=O)(=O)CC[NH3+])cc1Br ZINC000088061852 185238556 /nfs/dbraw/zinc/23/85/56/185238556.db2.gz UYRZZJIWUQQBKX-UHFFFAOYSA-N 1 0 308.197 1.331 10 0 DDAERO [NH3+]CC[S@](=O)Cc1ccc(I)cc1 ZINC000088062461 185238591 /nfs/dbraw/zinc/23/85/91/185238591.db2.gz PYBOCPQOASNODF-CYBMUJFWSA-N 1 0 309.172 1.499 10 0 DDAERO O[C@@H](COc1cccc(C(F)(F)F)c1)CN1CC[NH2+]CC1 ZINC000088061405 185238620 /nfs/dbraw/zinc/23/86/20/185238620.db2.gz IVGQBHRWPOCVJH-GFCCVEGCSA-N 1 0 304.312 1.350 10 0 DDAERO NNc1nc(N2CCCSCC2)c(Br)c[nH+]1 ZINC000087864190 185233817 /nfs/dbraw/zinc/23/38/17/185233817.db2.gz UJQFGICZCSVMET-UHFFFAOYSA-N 1 0 304.217 1.468 10 0 DDAERO O=C(Nc1c(F)cc(Br)cc1F)[C@H]1C[NH2+]CCO1 ZINC000088168528 185240891 /nfs/dbraw/zinc/24/08/91/185240891.db2.gz DJUXAUOYOMAHKY-SECBINFHSA-N 1 0 321.121 1.654 10 0 DDAERO O=C(Nc1c(F)cc(Br)cc1F)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000088168591 185240905 /nfs/dbraw/zinc/24/09/05/185240905.db2.gz PPQLWBRUFYAUQJ-RCOVLWMOSA-N 1 0 321.121 1.389 10 0 DDAERO C[NH2+]CCS(=O)(=O)N(C)[C@@H](C)Cc1ccccc1OC ZINC000088244149 185243431 /nfs/dbraw/zinc/24/34/31/185243431.db2.gz QATCOZBCCXVNLC-LBPRGKRZSA-N 1 0 300.424 1.107 10 0 DDAERO C[C@@H](C[NH3+])S(=O)(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000088471900 185251944 /nfs/dbraw/zinc/25/19/44/185251944.db2.gz NSBKWVGSGUQLPO-NTXWUREVSA-N 1 0 300.468 1.858 10 0 DDAERO CCOc1ccc(NS(=O)(=O)[C@H](CC)C[NH3+])cc1OCC ZINC000088472137 185252227 /nfs/dbraw/zinc/25/22/27/185252227.db2.gz PGJOISLTLVRIMN-GFCCVEGCSA-N 1 0 316.423 1.963 10 0 DDAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N2CC[C@H](COC)C2)o1 ZINC000088551383 185257367 /nfs/dbraw/zinc/25/73/67/185257367.db2.gz NLNXKBUIEOUUKO-LBPRGKRZSA-N 1 0 316.423 1.436 10 0 DDAERO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(C=O)o2)C1 ZINC000088541612 185255772 /nfs/dbraw/zinc/25/57/72/185255772.db2.gz ZOLULGJBOMAIJB-NSHDSACASA-N 1 0 300.380 1.197 10 0 DDAERO COC[C@@H](C)CNS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088543115 185256320 /nfs/dbraw/zinc/25/63/20/185256320.db2.gz CEOKQBQOAUJYLR-NSHDSACASA-N 1 0 304.412 1.338 10 0 DDAERO Cc1ccc2c(N)c(C(=O)N3CC[C@@H]([NH+](C)C)C3)sc2n1 ZINC000088643361 185261207 /nfs/dbraw/zinc/26/12/07/185261207.db2.gz KPOMZROXBYLFAM-SNVBAGLBSA-N 1 0 304.419 1.963 10 0 DDAERO C[C@H](c1cccc(Br)c1)N1CC[NH2+]C[C@@H]1C(N)=O ZINC000088659033 185261749 /nfs/dbraw/zinc/26/17/49/185261749.db2.gz OUAPSYQNNGLZSW-BXKDBHETSA-N 1 0 312.211 1.269 10 0 DDAERO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCNC3=[NH+]CCN32)C1 ZINC000232497030 539267117 /nfs/dbraw/zinc/26/71/17/539267117.db2.gz HSYMVWLHRGLPLW-QWHCGFSZSA-N 1 0 308.426 1.667 10 0 DDAERO CCC[NH2+][C@H]1CCOC[C@@H]1S(=O)(=O)c1ccccc1OC ZINC000081987731 192350841 /nfs/dbraw/zinc/35/08/41/192350841.db2.gz SEABBMLMZULMHN-WFASDCNBSA-N 1 0 313.419 1.626 10 0 DDAERO Cc1ccccc1C[S@](=O)[C@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000081997519 192351857 /nfs/dbraw/zinc/35/18/57/192351857.db2.gz YQSMIJZCPGVZNY-VFCRVFHLSA-N 1 0 309.431 1.867 10 0 DDAERO Cc1ccc(C)c([C@H]([NH3+])C[S@@](=O)CCS(C)(=O)=O)c1 ZINC000081992389 192352171 /nfs/dbraw/zinc/35/21/71/192352171.db2.gz KJPVQQKOBIMBCK-FZKQIMNGSA-N 1 0 303.449 1.097 10 0 DDAERO C[NH2+][C@@H](C[S@@](=O)CCCOC)c1ccc(OC)c(OC)c1 ZINC000081998448 192353345 /nfs/dbraw/zinc/35/33/45/192353345.db2.gz BMFHDRJLAJSMMN-YEJXKQKISA-N 1 0 315.435 1.750 10 0 DDAERO CCCS(=O)(=O)c1ccc(N[C@@H]2[C@H]([NH3+])C[C@@H]2OCC)cc1 ZINC000090313513 185290605 /nfs/dbraw/zinc/29/06/05/185290605.db2.gz CQZDVMAWQFHKLM-QLFBSQMISA-N 1 0 312.435 1.787 10 0 DDAERO Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2)c1C ZINC000090321988 185290875 /nfs/dbraw/zinc/29/08/75/185290875.db2.gz GLWJEHIHIFAGLG-GJZGRUSLSA-N 1 0 308.447 1.760 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1c1ccc(S(=O)(=O)NC)cc1 ZINC000090333761 185291720 /nfs/dbraw/zinc/29/17/20/185291720.db2.gz VNLAKTHHCZVRQU-KCPJHIHWSA-N 1 0 309.435 1.029 10 0 DDAERO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H]1COC[C@H]1[NH3+] ZINC000090383912 185293843 /nfs/dbraw/zinc/29/38/43/185293843.db2.gz JUWUMEQZJVWGQZ-GHMZBOCLSA-N 1 0 312.391 1.399 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(Br)cn1 ZINC000090432130 185295944 /nfs/dbraw/zinc/29/59/44/185295944.db2.gz FBWAHMGDCJIJEC-DTWKUNHWSA-N 1 0 300.156 1.017 10 0 DDAERO COc1cc(OC)c(NC(=O)[C@@]2(C)COC[C@H]2[NH3+])cc1Cl ZINC000090580608 185304929 /nfs/dbraw/zinc/30/49/29/185304929.db2.gz KCDDVRFDXDRJNC-OCCSQVGLSA-N 1 0 314.769 1.660 10 0 DDAERO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1sc2nccnc2c1N ZINC000092677985 185333315 /nfs/dbraw/zinc/33/33/15/185333315.db2.gz QCKBNZGGCFUTEF-VIFPVBQESA-N 1 0 305.407 1.440 10 0 DDAERO O=C(NCCc1ccc(Cl)cc1)c1cn(C2C[NH2+]C2)nn1 ZINC000092701887 185333802 /nfs/dbraw/zinc/33/38/02/185333802.db2.gz RDXBSVKBWUSSJF-UHFFFAOYSA-N 1 0 305.769 1.048 10 0 DDAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000092952282 185350381 /nfs/dbraw/zinc/35/03/81/185350381.db2.gz FAEDNTSHCIZNIQ-WPRPVWTQSA-N 1 0 306.757 1.252 10 0 DDAERO C[N@@H+]1C[C@@H](C(=O)NCc2cccc(CO)c2)[C@H](C(F)(F)F)C1 ZINC000299745605 529816869 /nfs/dbraw/zinc/81/68/69/529816869.db2.gz RIMKYLKTSOMXJV-CHWSQXEVSA-N 1 0 316.323 1.535 10 0 DDAERO CCOCCNC(=O)C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000181742461 199346402 /nfs/dbraw/zinc/34/64/02/199346402.db2.gz MFBRKMYNTIFZPZ-LBPRGKRZSA-N 1 0 308.378 1.261 10 0 DDAERO COc1ccc(CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cn1 ZINC000111245917 185563647 /nfs/dbraw/zinc/56/36/47/185563647.db2.gz ACAGWTDYBCSEKM-GFCCVEGCSA-N 1 0 303.284 1.248 10 0 DDAERO CCC[NH2+][C@H](C)[C@@H]1CCCCN1S(=O)(=O)N(CC)CC ZINC000111715651 185629926 /nfs/dbraw/zinc/62/99/26/185629926.db2.gz BORYXBKXRNBGAS-KGLIPLIRSA-N 1 0 305.488 1.816 10 0 DDAERO CC[NH2+]C[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 ZINC000111719276 185630967 /nfs/dbraw/zinc/63/09/67/185630967.db2.gz RYVOLADBPZXQIU-GFCCVEGCSA-N 1 0 301.412 1.302 10 0 DDAERO [NH3+]CCN1CCc2ccccc2[C@@H]1S(=O)(=O)c1ccccc1 ZINC000616678273 362777731 /nfs/dbraw/zinc/77/77/31/362777731.db2.gz FLYQPALXEQWMJE-KRWDZBQOSA-N 1 0 316.426 1.976 10 0 DDAERO C[C@@H]1C[N@H+](Cc2cnc(N)s2)CC[C@H]1NC(=O)CC1CC1 ZINC000725273013 539570741 /nfs/dbraw/zinc/57/07/41/539570741.db2.gz XDKRMRHNCLIZBR-ZWNOBZJWSA-N 1 0 308.451 1.852 10 0 DDAERO COc1ccc([C@H]2[C@H](C[NH3+])OCCN2C)cc1Br ZINC000070277874 190877465 /nfs/dbraw/zinc/87/74/65/190877465.db2.gz UXSMYFUOCKWDTI-STQMWFEESA-N 1 0 315.211 1.788 10 0 DDAERO CC[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1c[nH]c(CC)n1 ZINC000070421179 190888729 /nfs/dbraw/zinc/88/87/29/190888729.db2.gz JGOUROWDLYUSPF-NSHDSACASA-N 1 0 300.428 1.125 10 0 DDAERO CC[NH2+][C@@](CO)(COc1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000070519665 190903524 /nfs/dbraw/zinc/90/35/24/190903524.db2.gz CASFBCOJIZHBOY-HNNXBMFYSA-N 1 0 313.419 1.220 10 0 DDAERO Cc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000070575299 190907325 /nfs/dbraw/zinc/90/73/25/190907325.db2.gz QLBBUKQZWJDOKP-GHMZBOCLSA-N 1 0 311.407 1.098 10 0 DDAERO [NH3+][C@H]1CCC[C@H](C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC000070575571 190907460 /nfs/dbraw/zinc/90/74/60/190907460.db2.gz IROXRMGCRGGHSX-SRVKXCTJSA-N 1 0 307.360 1.504 10 0 DDAERO C[NH2+][C@H]1CCN(CC(=O)NCC(F)(F)F)c2ccccc21 ZINC000071325642 190958287 /nfs/dbraw/zinc/95/82/87/190958287.db2.gz MXQFPGFXZZPFSJ-NSHDSACASA-N 1 0 301.312 1.836 10 0 DDAERO NS(=O)(=O)c1ccc(N[C@H]2CCCCC[C@H]2[NH3+])c(F)c1 ZINC000071391233 190965892 /nfs/dbraw/zinc/96/58/92/190965892.db2.gz YBCPGCIXFFUMIT-YPMHNXCESA-N 1 0 301.387 1.545 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cccnc2OCC(F)(F)F)C1 ZINC000170867311 197841799 /nfs/dbraw/zinc/84/17/99/197841799.db2.gz MFIRQBRPVQYABA-SNVBAGLBSA-N 1 0 317.311 1.799 10 0 DDAERO COC(=O)[C@@H](CC(C)C)NC(=O)Cc1csc([C@H](C)[NH3+])n1 ZINC000071695933 191008042 /nfs/dbraw/zinc/00/80/42/191008042.db2.gz ROVSJAFYKWBJAD-GXSJLCMTSA-N 1 0 313.423 1.409 10 0 DDAERO CN(C(=O)Cc1csc(CCC[NH3+])n1)c1ccc(O)cc1 ZINC000071694769 191008257 /nfs/dbraw/zinc/00/82/57/191008257.db2.gz QHWJQLSYLVMIQV-UHFFFAOYSA-N 1 0 305.403 1.946 10 0 DDAERO CC(C)(C)OC(=O)N1CCC(c2nnc(CCC[NH3+])[nH]2)CC1 ZINC000072236584 191080699 /nfs/dbraw/zinc/08/06/99/191080699.db2.gz YZXWWJLUJRDECW-UHFFFAOYSA-N 1 0 309.414 1.811 10 0 DDAERO Cc1cccc(NC(=O)NCC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000237467070 186294314 /nfs/dbraw/zinc/29/43/14/186294314.db2.gz XOCMXZUWXBKOFA-UONOGXRCSA-N 1 0 318.421 1.702 10 0 DDAERO Cc1csc(NC(=O)c2cnc(C3CC[NH2+]CC3)cn2)n1 ZINC000072365608 191134319 /nfs/dbraw/zinc/13/43/19/191134319.db2.gz MXXBPPUNCFOCJN-UHFFFAOYSA-N 1 0 303.391 1.961 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](O)c1cccc(OC)c1 ZINC000171900864 198003630 /nfs/dbraw/zinc/00/36/30/198003630.db2.gz DKSOMRPTNAGPHS-BBRMVZONSA-N 1 0 323.437 1.758 10 0 DDAERO CC[C@H]1CN(C(=O)Nc2nc(C)cs2)CC[N@@H+]1C[C@@H](C)O ZINC000173269685 198204417 /nfs/dbraw/zinc/20/44/17/198204417.db2.gz WCBNDGLFKIPEPW-NEPJUHHUSA-N 1 0 312.439 1.760 10 0 DDAERO CC(C)Nc1ncccc1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000173643880 198235239 /nfs/dbraw/zinc/23/52/39/198235239.db2.gz GXHUTMRUTXVTFY-ZDUSSCGKSA-N 1 0 306.410 1.305 10 0 DDAERO CCC[C@@H]([NH3+])C(=O)Nc1n[nH]c(-c2ccc(OC)cc2OC)n1 ZINC000182093880 199385218 /nfs/dbraw/zinc/38/52/18/199385218.db2.gz HZQYYLIUVHCBMF-LLVKDONJSA-N 1 0 319.365 1.555 10 0 DDAERO NC(=O)NC(=O)CCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000174379713 198327617 /nfs/dbraw/zinc/32/76/17/198327617.db2.gz RAVPZUHYAHJHRB-CABCVRRESA-N 1 0 319.405 1.550 10 0 DDAERO CC[C@H]1CN(C(=O)COc2ccc(F)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000174640842 198363275 /nfs/dbraw/zinc/36/32/75/198363275.db2.gz QETMUVZEFGRNEP-HIFRSBDPSA-N 1 0 324.396 1.508 10 0 DDAERO CC[C@@H]1CN(C(=O)COc2ccc(F)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000174640830 198363342 /nfs/dbraw/zinc/36/33/42/198363342.db2.gz QETMUVZEFGRNEP-UKRRQHHQSA-N 1 0 324.396 1.508 10 0 DDAERO CC[C@H]1CN(C(=O)c2ccc(Cl)nc2)CC[N@@H+]1C[C@@H](C)O ZINC000174639775 198363743 /nfs/dbraw/zinc/36/37/43/198363743.db2.gz LUKRGBSJDPIPFN-YPMHNXCESA-N 1 0 311.813 1.652 10 0 DDAERO CCC[NH2+]CCNC(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C ZINC000236784279 202006100 /nfs/dbraw/zinc/00/61/00/202006100.db2.gz HTTSCIVPVWIYBN-INIZCTEOSA-N 1 0 319.449 1.865 10 0 DDAERO CCC([NH3+])(CC)CNC(=O)[C@H](NC(=O)c1ccco1)C(C)C ZINC000236795156 202014076 /nfs/dbraw/zinc/01/40/76/202014076.db2.gz FPUNCRBNGODKPQ-CYBMUJFWSA-N 1 0 309.410 1.668 10 0 DDAERO CCC[NH2+]CCNC(=O)[C@H](NC(=O)c1ccc(F)cc1)C(C)C ZINC000236800774 202015149 /nfs/dbraw/zinc/01/51/49/202015149.db2.gz JWWDKVCWOQLETR-OAHLLOKOSA-N 1 0 323.412 1.696 10 0 DDAERO CSCCCCNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000153632505 354200103 /nfs/dbraw/zinc/20/01/03/354200103.db2.gz VDHPVRKDSYOACP-CYBMUJFWSA-N 1 0 303.472 1.276 10 0 DDAERO Cc1cccc(C(=O)N2CCO[C@@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000328631584 354553704 /nfs/dbraw/zinc/55/37/04/354553704.db2.gz KRWFWGXONQENOK-HNNXBMFYSA-N 1 0 303.406 1.573 10 0 DDAERO Cn1cnnc1[C@H]1CN(C[C@@H](O)c2ccccc2Cl)CCO1 ZINC000328620859 354548366 /nfs/dbraw/zinc/54/83/66/354548366.db2.gz ADQRTKWGEZFZAU-ZIAGYGMSSA-N 1 0 322.796 1.575 10 0 DDAERO [NH3+][C@@H]1CC(F)(F)C[C@@H]1NC(=O)c1ccccc1-n1nccn1 ZINC000584592101 354743563 /nfs/dbraw/zinc/74/35/63/354743563.db2.gz NLLVPPPWEIKZIE-MNOVXSKESA-N 1 0 307.304 1.122 10 0 DDAERO COc1ccc(S(=O)(=O)NCCC[NH+](C)C)c(OC)c1C ZINC000074935982 191391459 /nfs/dbraw/zinc/39/14/59/191391459.db2.gz IIHZLAXSWBMKCU-UHFFFAOYSA-N 1 0 316.423 1.242 10 0 DDAERO NC(=[NH2+])C1(NS(=O)(=O)N2CCCC2)CCCCCCC1 ZINC000079786525 191973513 /nfs/dbraw/zinc/97/35/13/191973513.db2.gz LRKRHNJNNAJKFU-UHFFFAOYSA-N 1 0 302.444 1.336 10 0 DDAERO COCC[NH2+]C[C@@H]1CCCCN1S(=O)(=O)CC(C)(C)C ZINC000080194138 192010924 /nfs/dbraw/zinc/01/09/24/192010924.db2.gz SXLQWDAYJWYNTG-ZDUSSCGKSA-N 1 0 306.472 1.453 10 0 DDAERO CCC[C@H](C(N)=[NH2+])N1CCN(S(=O)(=O)CC(C)(C)C)CC1 ZINC000080194380 192011015 /nfs/dbraw/zinc/01/10/15/192011015.db2.gz RNNYPSYQWPGLPX-GFCCVEGCSA-N 1 0 318.487 1.085 10 0 DDAERO C[C@H]1CCCN(S(=O)(=O)N(CC(N)=[NH2+])C2CCCC2)C1 ZINC000080224449 192013286 /nfs/dbraw/zinc/01/32/86/192013286.db2.gz ZWDSEKBGMBLWCV-NSHDSACASA-N 1 0 302.444 1.144 10 0 DDAERO C[C@@H](NC(=O)[C@@H]1CCCN1C1CC[NH2+]CC1)c1nccs1 ZINC000080269657 192019225 /nfs/dbraw/zinc/01/92/25/192019225.db2.gz RBWVKPGKCFNPSP-YPMHNXCESA-N 1 0 308.451 1.537 10 0 DDAERO C[C@H](O)[C@@H]([NH3+])CNC(=O)c1ccc(Br)cc1F ZINC000080699183 192182941 /nfs/dbraw/zinc/18/29/41/192182941.db2.gz VJBOETZBLRQGDL-WKEGUHRASA-N 1 0 305.147 1.026 10 0 DDAERO [NH3+]C[C@H](c1ccc(Br)cc1)N1CCn2cnnc2C1 ZINC000081531426 192284963 /nfs/dbraw/zinc/28/49/63/192284963.db2.gz VYDCMNNWLOMYRE-GFCCVEGCSA-N 1 0 322.210 1.556 10 0 DDAERO C[C@H]([NH3+])[C@H](N1CCn2c(nnc2C(F)(F)F)C1)C(F)(F)F ZINC000081530191 192285444 /nfs/dbraw/zinc/28/54/44/192285444.db2.gz XGDRXYZTRRDWQN-FSPLSTOPSA-N 1 0 317.237 1.391 10 0 DDAERO CC(C)C[NH2+]C[C@@H](C)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081542722 192288023 /nfs/dbraw/zinc/28/80/23/192288023.db2.gz FDUQRPSYFSLBDD-SNVBAGLBSA-N 1 0 305.348 1.747 10 0 DDAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)N[C@@H](C)CCOC)cc1 ZINC000081717797 192316116 /nfs/dbraw/zinc/31/61/16/192316116.db2.gz GXHJITCNSBGOIR-NWDGAFQWSA-N 1 0 300.424 1.670 10 0 DDAERO CC[C@@H]1C[NH2+]C2(CCCC2)CN1C1CCS(=O)(=O)CC1 ZINC000086218928 192555827 /nfs/dbraw/zinc/55/58/27/192555827.db2.gz TUQRJQLXOFDYQZ-CYBMUJFWSA-N 1 0 300.468 1.560 10 0 DDAERO C[C@@H]1CN(CC(=O)NCCc2cccc(Cl)c2)[C@@H](C)C[NH2+]1 ZINC000086470879 192574771 /nfs/dbraw/zinc/57/47/71/192574771.db2.gz ZSKIWLDQRDYNDV-OLZOCXBDSA-N 1 0 309.841 1.681 10 0 DDAERO COCCN(CCOc1ccc(F)cc1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000237076908 202145271 /nfs/dbraw/zinc/14/52/71/202145271.db2.gz OBHYPSRJTJDVGY-HIFRSBDPSA-N 1 0 324.396 1.807 10 0 DDAERO COCC[S@@](=O)Cc1cccc(NC(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000237122234 202158314 /nfs/dbraw/zinc/15/83/14/202158314.db2.gz WUKWRLAOZLLRJV-LRTDBIEQSA-N 1 0 310.419 1.130 10 0 DDAERO COc1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)ccc1N1CCCC1=O ZINC000237154557 202168438 /nfs/dbraw/zinc/16/84/38/202168438.db2.gz FIURDELXPDFEBF-NWDGAFQWSA-N 1 0 317.389 1.888 10 0 DDAERO CC[C@@]1(C)C[NH2+][C@@H](C2CC2)CN1CCCS(=O)(=O)CC ZINC000086982735 192606934 /nfs/dbraw/zinc/60/69/34/192606934.db2.gz JIKYFJRAILMBFB-CABCVRRESA-N 1 0 302.484 1.664 10 0 DDAERO CC[NH2+]Cc1c(C)[nH]nc1S(=O)(=O)N(CC)[C@H](C)CC ZINC000088950855 192666031 /nfs/dbraw/zinc/66/60/31/192666031.db2.gz IAZDFEBTPFEZIX-SNVBAGLBSA-N 1 0 302.444 1.637 10 0 DDAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(CC(C)C)CC(C)C ZINC000088987153 192683187 /nfs/dbraw/zinc/68/31/87/192683187.db2.gz YYBXCHLCGMPDCM-HNNXBMFYSA-N 1 0 319.515 1.919 10 0 DDAERO CCN(C[C@H]1CCCO1)S(=O)(=O)c1cc(C[NH3+])oc1C ZINC000088993610 192686932 /nfs/dbraw/zinc/68/69/32/192686932.db2.gz FUAPBPQBXIJTGC-LLVKDONJSA-N 1 0 302.396 1.236 10 0 DDAERO Cn1cc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c(-c2cccnc2)n1 ZINC000179466059 199039809 /nfs/dbraw/zinc/03/98/09/199039809.db2.gz CQBPFKNUOKMQMC-MRXNPFEDSA-N 1 0 323.404 1.911 10 0 DDAERO CO[C@@]1(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)CCOC1 ZINC000276717418 213065537 /nfs/dbraw/zinc/06/55/37/213065537.db2.gz PNFAVWDECDCBJO-PBHICJAKSA-N 1 0 306.406 1.429 10 0 DDAERO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)NC(=O)Nc2ccccc2)C1 ZINC000237297950 202221305 /nfs/dbraw/zinc/22/13/05/202221305.db2.gz GFAGYMUKKWDBPX-ZIAGYGMSSA-N 1 0 318.421 1.655 10 0 DDAERO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)c1 ZINC000180598881 199182023 /nfs/dbraw/zinc/18/20/23/199182023.db2.gz CBYOXGRBVJBNNK-VXGBXAGGSA-N 1 0 302.378 1.961 10 0 DDAERO CNC(=O)[C@@H]1CCCN1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000156527123 283394345 /nfs/dbraw/zinc/39/43/45/283394345.db2.gz IFZXWEJZNPHFCS-HNNXBMFYSA-N 1 0 318.421 1.038 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N(C)Cc2cscn2)nc1 ZINC000089009748 192696829 /nfs/dbraw/zinc/69/68/29/192696829.db2.gz DRXTYTVGAYDVGM-UHFFFAOYSA-N 1 0 312.420 1.078 10 0 DDAERO CC[NH2+]CCCn1nc(C)c(S(=O)(=O)N[C@H]2C[C@@H]2C)c1C ZINC000089023731 192703735 /nfs/dbraw/zinc/70/37/35/192703735.db2.gz JGYAGMQITNOIRW-GWCFXTLKSA-N 1 0 314.455 1.186 10 0 DDAERO C[NH2+]CCc1ccc(S(=O)(=O)NCCC(F)(F)F)s1 ZINC000089035245 192711034 /nfs/dbraw/zinc/71/10/34/192711034.db2.gz DHBJSXAERZNNAK-UHFFFAOYSA-N 1 0 316.370 1.741 10 0 DDAERO CCC(CC)(CC)NS(=O)(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000089049273 192720767 /nfs/dbraw/zinc/72/07/67/192720767.db2.gz DPTIJIPZYNIZIA-CYBMUJFWSA-N 1 0 305.488 1.721 10 0 DDAERO CCc1nn(C)c(CN2CC[C@H](C[NH2+]C)C2)c1Br ZINC000089322849 192767413 /nfs/dbraw/zinc/76/74/13/192767413.db2.gz UKGNSGIDAOLAEE-SNVBAGLBSA-N 1 0 315.259 1.786 10 0 DDAERO [NH3+]C[C@H]1CCCC[C@H]1CNS(=O)(=O)N1CCCCCC1 ZINC000089532074 192811798 /nfs/dbraw/zinc/81/17/98/192811798.db2.gz ZWOLRAPOYACALK-KGLIPLIRSA-N 1 0 303.472 1.462 10 0 DDAERO O=C(/N=c1\sccn1Cc1ccccc1F)[C@H]1CC[NH2+]C1 ZINC000237850415 202370457 /nfs/dbraw/zinc/37/04/57/202370457.db2.gz MGVOXERNLZXHCO-KLIGIEKFSA-N 1 0 305.378 1.774 10 0 DDAERO COc1ccc(S(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000189135287 200354184 /nfs/dbraw/zinc/35/41/84/200354184.db2.gz HJRDPAXXIKQCNU-CYBMUJFWSA-N 1 0 314.451 1.950 10 0 DDAERO CC(=O)N1CCc2cc(C(=O)N[C@@H]3CCC[NH2+][C@H]3C)ccc21 ZINC000193661425 201097665 /nfs/dbraw/zinc/09/76/65/201097665.db2.gz QPIBGHKFKWSHMV-XHDPSFHLSA-N 1 0 301.390 1.466 10 0 DDAERO CN1C(=O)Cc2cc(NC(=O)N3CC[N@@H+]4CCC[C@H]4C3)ccc21 ZINC000194077815 201173420 /nfs/dbraw/zinc/17/34/20/201173420.db2.gz PQKYLESKDMKCCI-AWEZNQCLSA-N 1 0 314.389 1.517 10 0 DDAERO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCCCC[NH3+] ZINC000194745821 201282256 /nfs/dbraw/zinc/28/22/56/201282256.db2.gz LUURSJYFABTGGT-UHFFFAOYSA-N 1 0 320.798 1.144 10 0 DDAERO CS(=O)(=O)[C@H]1CSCCN1CCCCC[NH2+]C1CC1 ZINC000090923958 192948716 /nfs/dbraw/zinc/94/87/16/192948716.db2.gz JNSWOGTUBJNNRL-ZDUSSCGKSA-N 1 0 306.497 1.328 10 0 DDAERO CCS(=O)(=O)[C@H]1CSCCN1C(=O)CCC[NH2+]C(C)C ZINC000090928948 192951035 /nfs/dbraw/zinc/95/10/35/192951035.db2.gz WGQPRFYLWXNPIX-ZDUSSCGKSA-N 1 0 322.496 1.101 10 0 DDAERO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc(CO)ccc2F)C1 ZINC000091429248 193055095 /nfs/dbraw/zinc/05/50/95/193055095.db2.gz NBLFPQZIUBVKOR-LBPRGKRZSA-N 1 0 316.398 1.033 10 0 DDAERO Cc1cc([C@@H](CO)[NH2+]CCN(C)C)ccc1Br ZINC000091474074 193061257 /nfs/dbraw/zinc/06/12/57/193061257.db2.gz WPJLZMCRBODXNC-CYBMUJFWSA-N 1 0 301.228 1.942 10 0 DDAERO CCN(CC)C(=O)C[NH+]1CCC(SC)(C(N)=S)CC1 ZINC000091488585 193063057 /nfs/dbraw/zinc/06/30/57/193063057.db2.gz NNMALZLUXLQLQF-UHFFFAOYSA-N 1 0 303.497 1.339 10 0 DDAERO O[C@H](C[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(Cl)cc1 ZINC000091669982 193087691 /nfs/dbraw/zinc/08/76/91/193087691.db2.gz GGYCHVVENRDMGL-BZUAXINKSA-N 1 0 310.825 1.826 10 0 DDAERO [NH3+]C[C@@]1([C@@H](O)c2cc(Br)ccc2F)CCOC1 ZINC000091911601 193124712 /nfs/dbraw/zinc/12/47/12/193124712.db2.gz KOHKXCHFDCYXQF-RYUDHWBXSA-N 1 0 304.159 1.987 10 0 DDAERO C[C@H](C[NH3+])[C@H](O)c1cc(Br)c2c(c1)OCCO2 ZINC000091913264 193125616 /nfs/dbraw/zinc/12/56/16/193125616.db2.gz BUPGSPHFXBCJBB-HQJQHLMTSA-N 1 0 302.168 1.849 10 0 DDAERO C[NH2+]Cc1cc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)ccc1OC ZINC000092113626 193161280 /nfs/dbraw/zinc/16/12/80/193161280.db2.gz FJTVWLKNYITZCG-TXEJJXNPSA-N 1 0 312.435 1.691 10 0 DDAERO CCC[NH2+]Cc1c(C)[nH]nc1S(=O)(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000092113681 193161810 /nfs/dbraw/zinc/16/18/10/193161810.db2.gz YNBLNJQPVNTLNM-GHMZBOCLSA-N 1 0 314.455 1.494 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCSCC2)c(F)c1 ZINC000092115563 193162968 /nfs/dbraw/zinc/16/29/68/193162968.db2.gz FENNGPSBYNAYNM-UHFFFAOYSA-N 1 0 318.439 1.673 10 0 DDAERO [NH3+][C@H]1C=C[C@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000092201872 193173136 /nfs/dbraw/zinc/17/31/36/193173136.db2.gz MIRMUQXKXJZAJW-JSGCOSHPSA-N 1 0 305.809 1.892 10 0 DDAERO CSc1ccc(C(=O)N(CC(N)=O)C2CC[NH2+]CC2)cc1 ZINC000092231787 193177582 /nfs/dbraw/zinc/17/75/82/193177582.db2.gz SJUZVGQBIKAAKA-UHFFFAOYSA-N 1 0 307.419 1.088 10 0 DDAERO NC(=O)CN(C[C@H]1Cc2ccccc2S1)C1CC[NH2+]CC1 ZINC000092267663 193182784 /nfs/dbraw/zinc/18/27/84/193182784.db2.gz WCAJTPFGQOBRLB-CQSZACIVSA-N 1 0 305.447 1.243 10 0 DDAERO CCS(=O)(=O)[C@@H]1CSCCN1[C@@H](C)[C@@H](C)C[NH2+]C1CC1 ZINC000093071358 193201271 /nfs/dbraw/zinc/20/12/71/193201271.db2.gz UUQHBOIQIMRKCT-SGMGOOAPSA-N 1 0 320.524 1.573 10 0 DDAERO C[NH2+][C@H](C(=O)N(C)Cc1ccc(OC)c(O)c1)c1cnn(C)c1 ZINC000262307449 203256065 /nfs/dbraw/zinc/25/60/65/203256065.db2.gz BJWUSICABUUYLU-HNNXBMFYSA-N 1 0 318.377 1.053 10 0 DDAERO Cn1ncnc1CC1(c2cccc(Br)c2)C[NH2+]C1 ZINC000093197229 193214507 /nfs/dbraw/zinc/21/45/07/193214507.db2.gz LXWLGSYMZZLKGQ-UHFFFAOYSA-N 1 0 307.195 1.661 10 0 DDAERO CC[NH2+]CC1CCN(S(=O)(=O)N(CC)C[C@H](C)CC)CC1 ZINC000093265928 193222908 /nfs/dbraw/zinc/22/29/08/193222908.db2.gz BPLPJYFWPQXLDI-CQSZACIVSA-N 1 0 319.515 1.921 10 0 DDAERO Cc1ccc([C@H]2CCCC[N@H+]2Cc2cn(C)c(=O)n(C)c2=O)o1 ZINC000093443970 193253366 /nfs/dbraw/zinc/25/33/66/193253366.db2.gz PMGWTAIUCHTUDX-CQSZACIVSA-N 1 0 317.389 1.713 10 0 DDAERO Cc1ccc(N[C@@H](C)C[C@@H]2CCCC[NH2+]2)cc1S(N)(=O)=O ZINC000093473463 193257542 /nfs/dbraw/zinc/25/75/42/193257542.db2.gz IPRXMDGTTXWQFP-STQMWFEESA-N 1 0 311.451 1.975 10 0 DDAERO CN1CC[C@@]2(C[NH+]=C(N)N2c2ccccc2Br)C1 ZINC000093382695 193241072 /nfs/dbraw/zinc/24/10/72/193241072.db2.gz MXMBEZOYRARQNQ-CYBMUJFWSA-N 1 0 309.211 1.868 10 0 DDAERO CCCC(C[NH3+])(CCC)C(=O)NCC(C)(C)S(C)(=O)=O ZINC000093524416 193263986 /nfs/dbraw/zinc/26/39/86/193263986.db2.gz GJYCVXRHENNFFL-UHFFFAOYSA-N 1 0 306.472 1.471 10 0 DDAERO NC(=O)[C@@]1([NH3+])CCC[C@@H]1CCn1cc(Br)cn1 ZINC000093598458 193272672 /nfs/dbraw/zinc/27/26/72/193272672.db2.gz CVFOYSRWRSOLSX-LDYMZIIASA-N 1 0 301.188 1.019 10 0 DDAERO C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696661 193292036 /nfs/dbraw/zinc/29/20/36/193292036.db2.gz GZHVLXOQOWWZEN-KBPBESRZSA-N 1 0 314.451 1.862 10 0 DDAERO CC(C)[NH2+]C[C@@H]1CCCN1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697653 193292665 /nfs/dbraw/zinc/29/26/65/193292665.db2.gz WPQKMDLITFQVDR-GJZGRUSLSA-N 1 0 317.499 1.120 10 0 DDAERO CS(=O)(=O)N1CCC[C@@H](C[C@@H](C[NH3+])c2cccc(F)c2)C1 ZINC000093701664 193294748 /nfs/dbraw/zinc/29/47/48/193294748.db2.gz ZVYYUQYTAAIOJK-JSGCOSHPSA-N 1 0 314.426 1.930 10 0 DDAERO CC[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCOCC1 ZINC000093700570 193294850 /nfs/dbraw/zinc/29/48/50/193294850.db2.gz UBKOQTWILAWIMU-DZGCQCFKSA-N 1 0 318.483 1.453 10 0 DDAERO CCC[NH2+][C@H](COCC)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700675 193295001 /nfs/dbraw/zinc/29/50/01/193295001.db2.gz VSUBWMJXXMUBSC-KGLIPLIRSA-N 1 0 306.472 1.453 10 0 DDAERO Cc1ccnc(S[C@@H]2CCC[C@]([NH2+]C3CC3)(C(N)=O)C2)n1 ZINC000093779092 193305782 /nfs/dbraw/zinc/30/57/82/193305782.db2.gz NRWHGPREBLLHEA-IUODEOHRSA-N 1 0 306.435 1.796 10 0 DDAERO Cc1cc(S[C@H]2CCC[C@]([NH2+]C3CC3)(C(N)=O)C2)n(C)n1 ZINC000093779189 193306059 /nfs/dbraw/zinc/30/60/59/193306059.db2.gz IQADUYOPKCHAAM-SWLSCSKDSA-N 1 0 308.451 1.739 10 0 DDAERO CCN(c1ccc(C[NH3+])cc1)S(=O)(=O)CCOC(C)C ZINC000093664740 193286689 /nfs/dbraw/zinc/28/66/89/193286689.db2.gz LOFTYPSRVRQRJS-UHFFFAOYSA-N 1 0 300.424 1.726 10 0 DDAERO C[C@@H]1CCCCN1S(=O)(=O)NC1C(C)(C)C([NH3+])C1(C)C ZINC000094006490 193338581 /nfs/dbraw/zinc/33/85/81/193338581.db2.gz PYYKHYMWPQNUAG-VOMCLLRMSA-N 1 0 303.472 1.457 10 0 DDAERO Nc1cc(Br)ccc1C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000094026380 193339754 /nfs/dbraw/zinc/33/97/54/193339754.db2.gz CQUSZPNZLGUTSB-CYBMUJFWSA-N 1 0 324.222 1.855 10 0 DDAERO Cc1cc(C)nc(S[C@@H]2CC[C@@]([NH2+]C(C)C)(C(N)=O)C2)n1 ZINC000093852363 193318388 /nfs/dbraw/zinc/31/83/88/193318388.db2.gz WGXSJGCQCVJDJG-DOMZBBRYSA-N 1 0 308.451 1.960 10 0 DDAERO CS(=O)(=O)c1ccc(S[C@@H]2CC[C@]([NH3+])(CO)C2)cc1 ZINC000093860115 193319802 /nfs/dbraw/zinc/31/98/02/193319802.db2.gz RXGQGFJFLVIMKR-DGCLKSJQSA-N 1 0 301.433 1.425 10 0 DDAERO CCn1nc(C)c(Cl)c1C[C@@H]([NH2+]C)[C@@H]1CN(CC)CCO1 ZINC000093914332 193328906 /nfs/dbraw/zinc/32/89/06/193328906.db2.gz KHSXUFTUVGJNTG-OCCSQVGLSA-N 1 0 314.861 1.716 10 0 DDAERO CN(CC1CC[NH2+]CC1)S(=O)(=O)c1cc(F)ccc1F ZINC000094023768 193339340 /nfs/dbraw/zinc/33/93/40/193339340.db2.gz WIKAMZUOXJDPCJ-UHFFFAOYSA-N 1 0 304.362 1.585 10 0 DDAERO CC(C)C[NH2+]Cc1c(SC[C@H](O)CO)nc2sccn12 ZINC000093960620 193331836 /nfs/dbraw/zinc/33/18/36/193331836.db2.gz RECSAMPZSPQOOU-SNVBAGLBSA-N 1 0 315.464 1.587 10 0 DDAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1Nc1ccc(C(=O)OC)c(F)c1F ZINC000094272284 193355832 /nfs/dbraw/zinc/35/58/32/193355832.db2.gz NANIBXKLLVFDBN-PLMOITTCSA-N 1 0 300.305 1.668 10 0 DDAERO CN(C)S(=O)(=O)c1ccc(NC(=O)CC2([NH3+])CCC2)cc1 ZINC000094293811 193356621 /nfs/dbraw/zinc/35/66/21/193356621.db2.gz KWQPALHFYSOHCX-UHFFFAOYSA-N 1 0 311.407 1.147 10 0 DDAERO CN(CCS(C)(=O)=O)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000094297588 193356822 /nfs/dbraw/zinc/35/68/22/193356822.db2.gz WACBPWOZJILKHG-HZSPNIEDSA-N 1 0 304.500 1.753 10 0 DDAERO CC(C)C[NH2+]C[C@@]1(CN(C)CCS(C)(=O)=O)CCCOC1 ZINC000094300242 193357465 /nfs/dbraw/zinc/35/74/65/193357465.db2.gz VDVXFELGTQCYFP-OAHLLOKOSA-N 1 0 320.499 1.005 10 0 DDAERO CN(CCS(C)(=O)=O)C[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000094298219 193357480 /nfs/dbraw/zinc/35/74/80/193357480.db2.gz RBUALUNTLHGKHE-IBHBGHMQSA-N 1 0 314.495 1.507 10 0 DDAERO CCC[NH2+][C@@H]1[C@@H](CN(C)CCS(C)(=O)=O)CCC1(C)C ZINC000094319294 193359199 /nfs/dbraw/zinc/35/91/99/193359199.db2.gz UYZRJSBIFBZNMK-ZIAGYGMSSA-N 1 0 304.500 1.767 10 0 DDAERO CCNC(=O)CN(CC)c1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334197 193360216 /nfs/dbraw/zinc/36/02/16/193360216.db2.gz 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318.826 1.897 10 0 DDAERO CO[C@@H]1COC[C@@H]1[NH+]1CCC(N(C)c2ccc(C)nn2)CC1 ZINC000333509480 249005711 /nfs/dbraw/zinc/00/57/11/249005711.db2.gz DWJGQVIUTYEALZ-LSDHHAIUSA-N 1 0 306.410 1.099 10 0 DDAERO COC(=O)c1cc(NC(=O)[C@@H]2C[C@H](OC)C[NH2+]2)ccc1Cl ZINC000040632692 183111901 /nfs/dbraw/zinc/11/19/01/183111901.db2.gz DZHAOEKZBUTTDW-CABZTGNLSA-N 1 0 312.753 1.442 10 0 DDAERO CCOC(=O)c1nc2c(C)cccn2c1CN1CCC[NH2+]CC1 ZINC000040686193 183118092 /nfs/dbraw/zinc/11/80/92/183118092.db2.gz MCKXJDXADJMSOD-UHFFFAOYSA-N 1 0 316.405 1.615 10 0 DDAERO Cc1cc(C)n(-c2ncnc(NCC[NH+]3CCCCC3)c2N)n1 ZINC000040756522 183129933 /nfs/dbraw/zinc/12/99/33/183129933.db2.gz WLRHVWCKLLBGAE-UHFFFAOYSA-N 1 0 315.425 1.759 10 0 DDAERO C[C@H]([NH3+])c1cccc(NC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000041716916 183218512 /nfs/dbraw/zinc/21/85/12/183218512.db2.gz JNTAUCFCTFBENB-GXFFZTMASA-N 1 0 311.407 1.357 10 0 DDAERO CCCN(CC[NH+](C)C)S(=O)(=O)c1ccc2c(c1)CCN2 ZINC000041682061 183216700 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COCCNC(=O)[C@H](C)Oc1ccc(C[C@H](C)[NH3+])cc1Cl ZINC000043491336 183366712 /nfs/dbraw/zinc/36/67/12/183366712.db2.gz XFZBQWBCRGXEBD-QWRGUYRKSA-N 1 0 314.813 1.760 10 0 DDAERO COCCNC(=O)[C@@H](C)Oc1ccc(CC[NH3+])cc1Cl ZINC000043490747 183366870 /nfs/dbraw/zinc/36/68/70/183366870.db2.gz SLORYOVSBDLSTR-SNVBAGLBSA-N 1 0 300.786 1.371 10 0 DDAERO [NH3+]CC1CCN(CC(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000044514080 183416753 /nfs/dbraw/zinc/41/67/53/183416753.db2.gz ATKKDARWHIZDSB-UHFFFAOYSA-N 1 0 301.312 1.713 10 0 DDAERO Cc1cncc(C[N@H+]2CC[C@@](O)(c3cn(C(C)C)nn3)C2)c1 ZINC000284521705 218063008 /nfs/dbraw/zinc/06/30/08/218063008.db2.gz CSQWOOUCJMYHAE-INIZCTEOSA-N 1 0 301.394 1.656 10 0 DDAERO Cc1cc(C)cc(OCCNC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000104791768 194039514 /nfs/dbraw/zinc/03/95/14/194039514.db2.gz OYRPVJPSDFNYGU-MRXNPFEDSA-N 1 0 321.421 1.312 10 0 DDAERO CNC(=O)c1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000104984967 194062265 /nfs/dbraw/zinc/06/22/65/194062265.db2.gz QZBXNPKHJXHGQT-OAHLLOKOSA-N 1 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/nfs/dbraw/zinc/15/13/31/194151331.db2.gz DBXKPIOEZFMSHO-VHSXEESVSA-N 1 0 320.784 1.258 10 0 DDAERO O=C(CC[N@@H+]1CCC[C@@H](Cn2cncn2)C1)NC1CCCC1 ZINC000105884409 194157305 /nfs/dbraw/zinc/15/73/05/194157305.db2.gz FJEXNIROVSVYOQ-CQSZACIVSA-N 1 0 305.426 1.439 10 0 DDAERO Cc1cccc2nc(C[N@@H+]3CCC[C@H](n4cncn4)C3)cc(=O)n12 ZINC000105898253 194164148 /nfs/dbraw/zinc/16/41/48/194164148.db2.gz SJUKHDIMOFYKPQ-HNNXBMFYSA-N 1 0 324.388 1.432 10 0 DDAERO C[NH+](C)C[C@@H]1CN(CCC(=O)Nc2ccccc2F)CCO1 ZINC000105904490 194167221 /nfs/dbraw/zinc/16/72/21/194167221.db2.gz HNSMPFOUKMREPL-CYBMUJFWSA-N 1 0 309.385 1.417 10 0 DDAERO COC(=O)c1cc(F)ccc1CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000105924194 194170314 /nfs/dbraw/zinc/17/03/14/194170314.db2.gz AIVRJIYTVSZCJR-AWEZNQCLSA-N 1 0 310.369 1.375 10 0 DDAERO Cc1ccccc1CNC(=O)[C@@H](C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105925981 194171098 /nfs/dbraw/zinc/17/10/98/194171098.db2.gz RAAHPGIJCXQHPV-NVXWUHKLSA-N 1 0 319.449 1.262 10 0 DDAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCC(CC(N)=O)CC1 ZINC000106432663 194212836 /nfs/dbraw/zinc/21/28/36/194212836.db2.gz IOGCSUNXVCWPGD-INIZCTEOSA-N 1 0 317.433 1.273 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)NCCOc2ccc(F)c(F)c2)C1 ZINC000106565929 194231041 /nfs/dbraw/zinc/23/10/41/194231041.db2.gz CUVMKQUQKLNWSD-NSHDSACASA-N 1 0 313.348 1.689 10 0 DDAERO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(C)cc2N)CC1 ZINC000049554381 183741108 /nfs/dbraw/zinc/74/11/08/183741108.db2.gz LSOOJUYGFVVENW-UHFFFAOYSA-N 1 0 311.451 1.730 10 0 DDAERO C[NH2+]CCS(=O)(=O)NCc1cccc(Br)c1 ZINC000049630301 183749416 /nfs/dbraw/zinc/74/94/16/183749416.db2.gz MXTJMUBTEMJQLF-UHFFFAOYSA-N 1 0 307.213 1.088 10 0 DDAERO COc1cccc(N(C)S(=O)(=O)CC[C@H]2CCCC[NH2+]2)c1 ZINC000049973142 183766245 /nfs/dbraw/zinc/76/62/45/183766245.db2.gz YSXSYAWTSOMRSM-CYBMUJFWSA-N 1 0 312.435 1.993 10 0 DDAERO CCCCOCCN1CC[NH+]([C@H](CCC)C(N)=S)CC1 ZINC000109470033 194266497 /nfs/dbraw/zinc/26/64/97/194266497.db2.gz CFLHWTZMCSTLHT-CQSZACIVSA-N 1 0 301.500 1.876 10 0 DDAERO CCC[C@@H](C(N)=S)[NH+]1CCN(C(=O)c2cscn2)CC1 ZINC000109465006 194265510 /nfs/dbraw/zinc/26/55/10/194265510.db2.gz TXTJRCRDHMZVCA-NSHDSACASA-N 1 0 312.464 1.356 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000109461270 194266248 /nfs/dbraw/zinc/26/62/48/194266248.db2.gz BSPNOVNSXPIQRF-CQSZACIVSA-N 1 0 305.447 1.438 10 0 DDAERO C[C@@H](C(N)=S)[NH+]1CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000109466527 194267392 /nfs/dbraw/zinc/26/73/92/194267392.db2.gz PIGGIERTMZWVLH-JTQLQIEISA-N 1 0 310.398 1.650 10 0 DDAERO C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(S(C)(=O)=O)cc2)[NH2+]1 ZINC000051573023 183830062 /nfs/dbraw/zinc/83/00/62/183830062.db2.gz BPLQHIBOCKIZFH-YPMHNXCESA-N 1 0 310.419 1.351 10 0 DDAERO CCOCCC[NH2+]C[C@H](C)Oc1ccc(S(C)(=O)=O)cc1 ZINC000053589074 183907144 /nfs/dbraw/zinc/90/71/44/183907144.db2.gz XNBQRTZULYHVHL-ZDUSSCGKSA-N 1 0 315.435 1.874 10 0 DDAERO CN(C(=O)Cc1ccc(C(N)=S)cc1)C1CC[NH+](C)CC1 ZINC000110613171 194342625 /nfs/dbraw/zinc/34/26/25/194342625.db2.gz WQYMKARDWZFXJD-UHFFFAOYSA-N 1 0 305.447 1.416 10 0 DDAERO CC[C@H]1CN(S(=O)(=O)c2cccc([C@@H](C)[NH3+])c2)CCN1C ZINC000110763485 194356701 /nfs/dbraw/zinc/35/67/01/194356701.db2.gz IZTMCHSILAWMPX-OCCSQVGLSA-N 1 0 311.451 1.421 10 0 DDAERO O=S(=O)(NC1CC1)c1ccccc1NCC[C@H]1CC[NH2+]C1 ZINC000110798021 194360203 /nfs/dbraw/zinc/36/02/03/194360203.db2.gz HZRXGMRPRBRDHU-GFCCVEGCSA-N 1 0 309.435 1.539 10 0 DDAERO Cc1cccc(NC(=O)NC2CC[NH+](CC(N)=S)CC2)c1 ZINC000110826158 194362195 /nfs/dbraw/zinc/36/21/95/194362195.db2.gz RXYHCQGXMTVJSM-UHFFFAOYSA-N 1 0 306.435 1.867 10 0 DDAERO CC(C)[N@H+](C)CCNC(=O)[C@@H](Cc1ccccc1)C(N)=S ZINC000054134383 183925569 /nfs/dbraw/zinc/92/55/69/183925569.db2.gz OPHUFCKBRFRERS-AWEZNQCLSA-N 1 0 307.463 1.588 10 0 DDAERO CCc1nc(N(CCOC)[C@@H](C)COC)sc1C[NH2+]C ZINC000055001084 183956973 /nfs/dbraw/zinc/95/69/73/183956973.db2.gz PRDYEZZQCAQBQJ-NSHDSACASA-N 1 0 301.456 1.913 10 0 DDAERO CCCN[C@](C)(CC[N@H+](C)CC1CCOCC1)C(=O)OC ZINC000111170438 194398509 /nfs/dbraw/zinc/39/85/09/194398509.db2.gz XFLHLDWPKVLEJW-MRXNPFEDSA-N 1 0 300.443 1.666 10 0 DDAERO Oc1ccc(C[NH2+]C[C@H]2COCCO2)cc1Br ZINC000057997791 184066212 /nfs/dbraw/zinc/06/62/12/184066212.db2.gz PRYRSCQXWNWKMX-JTQLQIEISA-N 1 0 302.168 1.660 10 0 DDAERO CC[NH2+]C[C@H](C)C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000061236417 184166821 /nfs/dbraw/zinc/16/68/21/184166821.db2.gz OXOLYIOEZLRTFD-MJBXVCDLSA-N 1 0 300.468 1.745 10 0 DDAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C1CC1)c1ccccn1 ZINC000061594709 184176265 /nfs/dbraw/zinc/17/62/65/184176265.db2.gz JXIQIOCSFFZRLO-ZYHUDNBSSA-N 1 0 305.407 1.872 10 0 DDAERO C[C@H](C[NH+]1CCCC1)NC(=O)[C@H](C(N)=S)c1ccccc1 ZINC000061616438 184178577 /nfs/dbraw/zinc/17/85/77/184178577.db2.gz FCXNOEIVFWZWBW-OCCSQVGLSA-N 1 0 305.447 1.657 10 0 DDAERO O=S(=O)(c1ccc(C[NH2+]C2CC2)cc1)N1CCCOCC1 ZINC000061936923 184196709 /nfs/dbraw/zinc/19/67/09/184196709.db2.gz OKWGHNQCSVKVKA-UHFFFAOYSA-N 1 0 310.419 1.350 10 0 DDAERO NNc1ccc(Cl)c(CN2CCN(CC(F)(F)F)CC2)[nH+]1 ZINC000061947522 184197774 /nfs/dbraw/zinc/19/77/74/184197774.db2.gz NSOYURXEYBQYKZ-UHFFFAOYSA-N 1 0 323.750 1.701 10 0 DDAERO CCOC(=O)[C@H]([NH3+])CCn1nc(C)c(Br)c1C ZINC000062538507 184241833 /nfs/dbraw/zinc/24/18/33/184241833.db2.gz MMIFYEJOSBTOSU-SECBINFHSA-N 1 0 304.188 1.543 10 0 DDAERO CNS(=O)(=O)NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000062370555 184233324 /nfs/dbraw/zinc/23/33/24/184233324.db2.gz CQOBGQMWHACSLD-ZDUSSCGKSA-N 1 0 301.387 1.016 10 0 DDAERO COCC[NH2+]Cc1ccc(OCC(=O)NC(C)C)c(Cl)c1 ZINC000062730469 184251603 /nfs/dbraw/zinc/25/16/03/184251603.db2.gz SCDWSTDYVGRKSZ-UHFFFAOYSA-N 1 0 314.813 1.979 10 0 DDAERO CCC[NH2+][C@H]1COc2cc(O[C@H]3CCS(=O)(=O)C3)ccc21 ZINC000062804984 184253662 /nfs/dbraw/zinc/25/36/62/184253662.db2.gz MWVCQWVVMCXHFI-JSGCOSHPSA-N 1 0 311.403 1.686 10 0 DDAERO C[C@H]1CN[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)C[NH2+]1 ZINC000062813815 184254246 /nfs/dbraw/zinc/25/42/46/184254246.db2.gz SJCMULLUSKNNNS-CABZTGNLSA-N 1 0 301.312 1.272 10 0 DDAERO CCC[C@]1(C(=O)Nc2ccc(S(C)(=O)=O)cc2)CC[NH2+]C1 ZINC000062889728 184258613 /nfs/dbraw/zinc/25/86/13/184258613.db2.gz BCJKXMTWYZWJRW-HNNXBMFYSA-N 1 0 310.419 1.808 10 0 DDAERO CCC[C@@]1(C(=O)Nc2cccc(S(C)(=O)=O)c2)CC[NH2+]C1 ZINC000062894030 184258789 /nfs/dbraw/zinc/25/87/89/184258789.db2.gz KYTAJEVCAWDMBN-OAHLLOKOSA-N 1 0 310.419 1.808 10 0 DDAERO COc1ccc(S(=O)(=O)N[C@H]2CCCCC[C@@H]2[NH3+])cc1C ZINC000063213352 184278362 /nfs/dbraw/zinc/27/83/62/184278362.db2.gz BZDCHXQCDVFLDN-KBPBESRZSA-N 1 0 312.435 1.942 10 0 DDAERO Nc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)ccc1F ZINC000062975714 184263416 /nfs/dbraw/zinc/26/34/16/184263416.db2.gz DHGLTCUIUCMYJL-LLVKDONJSA-N 1 0 313.398 1.267 10 0 DDAERO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(F)ccc2N)C1 ZINC000062975692 184263479 /nfs/dbraw/zinc/26/34/79/184263479.db2.gz UMATYDSCKNEOPI-LBPRGKRZSA-N 1 0 315.414 1.513 10 0 DDAERO C[NH2+][C@](C)(CCSc1ccc(S(C)(=O)=O)cc1)C(N)=O ZINC000063131907 184272376 /nfs/dbraw/zinc/27/23/76/184272376.db2.gz AOULDSAGHQESEG-CYBMUJFWSA-N 1 0 316.448 1.036 10 0 DDAERO CS(=O)(=O)c1ccc(SCC[NH2+]C[C@@H]2CCOC2)cc1 ZINC000063132066 184272872 /nfs/dbraw/zinc/27/28/72/184272872.db2.gz ILYDHMDRWWRHJF-LBPRGKRZSA-N 1 0 315.460 1.808 10 0 DDAERO C[C@H]([NH3+])c1ccc(S(=O)(=O)NCCc2nccs2)cc1 ZINC000063136080 184273176 /nfs/dbraw/zinc/27/31/76/184273176.db2.gz BTVBWEBHVCAWLH-JTQLQIEISA-N 1 0 311.432 1.684 10 0 DDAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1c(F)cccc1F ZINC000063168240 184275818 /nfs/dbraw/zinc/27/58/18/184275818.db2.gz QEISEVXLKQSRPZ-SNVBAGLBSA-N 1 0 304.362 1.727 10 0 DDAERO CCN1C[C@H]2[C@@H](C1)[C@@H](c1cnn(C)c1C)[NH2+][C@]2(CO)CC(C)C ZINC000065460072 184348545 /nfs/dbraw/zinc/34/85/45/184348545.db2.gz ZULAXKMLXVOHCP-XDNAFOTISA-N 1 0 320.481 1.718 10 0 DDAERO COCCCNC(=O)c1ccc(NC(=O)C[NH2+]C(C)C)cc1 ZINC000066215568 184396927 /nfs/dbraw/zinc/39/69/27/184396927.db2.gz JTKGXDYLHNMGPH-UHFFFAOYSA-N 1 0 307.394 1.389 10 0 DDAERO CCOC(=O)[C@](C)(C[C@@H](C)[NH+]1CCC(COC)CC1)NC ZINC000068647768 184495812 /nfs/dbraw/zinc/49/58/12/184495812.db2.gz XLJIRZNSAFDKAC-CJNGLKHVSA-N 1 0 300.443 1.665 10 0 DDAERO COCC1CC[NH+](CCC[C@](C)([NH2+]C(C)C)C(=O)[O-])CC1 ZINC000069507451 184520642 /nfs/dbraw/zinc/52/06/42/184520642.db2.gz JQIMTSMSOVIKLB-INIZCTEOSA-N 1 0 300.443 1.966 10 0 DDAERO Cc1ccc(CNC(=O)CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000113270521 194575661 /nfs/dbraw/zinc/57/56/61/194575661.db2.gz JSRKFBBOIQPVCF-RDJZCZTQSA-N 1 0 301.434 1.780 10 0 DDAERO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)C1=COCCC1 ZINC000119834632 195045690 /nfs/dbraw/zinc/04/56/90/195045690.db2.gz SHVLVBDXAHKCRV-KRWDZBQOSA-N 1 0 316.401 1.216 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cccc3c2OCO3)C1 ZINC000157727452 197210843 /nfs/dbraw/zinc/21/08/43/197210843.db2.gz DGMWXRZZVZUAKF-OCCSQVGLSA-N 1 0 319.405 1.943 10 0 DDAERO CCC[C@H](C(=O)NCCC(=O)OCc1ccccc1)[NH+](C)C ZINC000157692333 197208011 /nfs/dbraw/zinc/20/80/11/197208011.db2.gz ZIMQIJJPUKBNNU-OAHLLOKOSA-N 1 0 306.406 1.966 10 0 DDAERO CC(C)(C)OC[C@H](O)C[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000120763438 195232623 /nfs/dbraw/zinc/23/26/23/195232623.db2.gz UUAGOFJSYFBJHD-OAHLLOKOSA-N 1 0 308.422 1.540 10 0 DDAERO Cn1cc(C[C@@H]2[C@H](OCC3CC3)CC[N@@H+]2C[C@H]2CCOC2)cn1 ZINC000248118711 257108705 /nfs/dbraw/zinc/10/87/05/257108705.db2.gz JFXFKMIQGLUABB-KBAYOESNSA-N 1 0 319.449 1.869 10 0 DDAERO Cn1cc(C[C@@H]2[C@H](OCC3CC3)CC[N@@H+]2C[C@@H]2CCOC2)cn1 ZINC000248118705 257108789 /nfs/dbraw/zinc/10/87/89/257108789.db2.gz JFXFKMIQGLUABB-CGTJXYLNSA-N 1 0 319.449 1.869 10 0 DDAERO COC[C@@H]1CNC(=O)[C@H]2CC[N@H+](Cc3ccc(C)o3)CC[C@@H]12 ZINC000248112176 257109367 /nfs/dbraw/zinc/10/93/67/257109367.db2.gz RGEDOBVTSQYXAN-BPUTZDHNSA-N 1 0 306.406 1.809 10 0 DDAERO CN(C)C(=O)C[N@@H+]1CC[C@@H](OCC2CC2)[C@H]1Cc1ccncc1 ZINC000248009070 257112260 /nfs/dbraw/zinc/11/22/60/257112260.db2.gz OXRAWRXBBFHOED-IAGOWNOFSA-N 1 0 317.433 1.582 10 0 DDAERO Cc1noc([C@@H]2C[C@H]3CC[N@H+](CC4CCOCC4)C[C@@H]3O2)n1 ZINC000247997774 257112426 /nfs/dbraw/zinc/11/24/26/257112426.db2.gz AYDUBTUTIDKGSV-ILXRZTDVSA-N 1 0 307.394 1.957 10 0 DDAERO COCCNC(=O)[C@@H]1C[C@H]2CC[N@H+](Cc3cccs3)C[C@@H]2O1 ZINC000247878792 257115688 /nfs/dbraw/zinc/11/56/88/257115688.db2.gz PKFOCBBMSJACRV-SNPRPXQTSA-N 1 0 324.446 1.490 10 0 DDAERO O=C([C@@H]1CC[C@H]2[C@H](CC[N@@H+]2CC2CCC2)O1)N1CCOCC1 ZINC000247801661 257117633 /nfs/dbraw/zinc/11/76/33/257117633.db2.gz WEIYHDLZBMOLSH-JYJNAYRXSA-N 1 0 308.422 1.267 10 0 DDAERO C[NH+](C)[C@H]1CCN(c2ncc(F)cn2)[C@H]1Cc1cccnc1 ZINC000503716985 257209685 /nfs/dbraw/zinc/20/96/85/257209685.db2.gz KKHIZFNSYTYEQA-GJZGRUSLSA-N 1 0 301.369 1.762 10 0 DDAERO Fc1cccc(CN2C[C@@H]3OCCN(c4cnccn4)[C@H]3C2)c1 ZINC000503717234 257209847 /nfs/dbraw/zinc/20/98/47/257209847.db2.gz QPNJEXAURZOONW-HOTGVXAUSA-N 1 0 314.364 1.705 10 0 DDAERO CC[C@@H]1CN(Cc2cc(C(N)=O)cs2)CC[N@@H+]1CCOC ZINC000120969203 195273436 /nfs/dbraw/zinc/27/34/36/195273436.db2.gz CGCNPNKJPGQQTG-CYBMUJFWSA-N 1 0 311.451 1.390 10 0 DDAERO CC(C)C(=O)N1CCC[N@H+](C[C@@H](O)COC(C)(C)C)CC1 ZINC000069609066 406743209 /nfs/dbraw/zinc/74/32/09/406743209.db2.gz SSUKWGCGVVTNIW-CQSZACIVSA-N 1 0 300.443 1.353 10 0 DDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1cc(Br)cs1 ZINC000070600085 406820354 /nfs/dbraw/zinc/82/03/54/406820354.db2.gz ZLNIPABRZQULGY-GMSGAONNSA-N 1 0 303.225 1.982 10 0 DDAERO Cn1cc(Br)cc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000071140133 406832713 /nfs/dbraw/zinc/83/27/13/406832713.db2.gz NOTPZFYXMYKYNZ-JTQLQIEISA-N 1 0 300.200 1.564 10 0 DDAERO CC(=O)NCC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000012756661 406851399 /nfs/dbraw/zinc/85/13/99/406851399.db2.gz QIYMSHLGDJTBCB-INIZCTEOSA-N 1 0 303.406 1.246 10 0 DDAERO C[NH+](C)C[C@@H](NC(=O)c1cccc(C(N)=O)c1)c1ccccc1 ZINC000044682464 407028723 /nfs/dbraw/zinc/02/87/23/407028723.db2.gz HKZDBJRUUUAUCF-MRXNPFEDSA-N 1 0 311.385 1.818 10 0 DDAERO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000083749688 407081829 /nfs/dbraw/zinc/08/18/29/407081829.db2.gz NWVMDWDZKSPGHY-KBPBESRZSA-N 1 0 318.425 1.301 10 0 DDAERO C[NH+](C)C[C@H](NC(=O)CCCCNC(N)=O)c1ccccc1 ZINC000052556372 407152955 /nfs/dbraw/zinc/15/29/55/407152955.db2.gz SWKPDBCQQDAYFE-AWEZNQCLSA-N 1 0 306.410 1.244 10 0 DDAERO C[C@@H](CCO)[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCCC1=O ZINC000093303422 407196591 /nfs/dbraw/zinc/19/65/91/407196591.db2.gz JHRWUQFUGLJEKB-DOTOQJQBSA-N 1 0 320.433 1.243 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1sccc1OC ZINC000122917492 407314149 /nfs/dbraw/zinc/31/41/49/407314149.db2.gz HPWXNQQWPNOVRX-LLVKDONJSA-N 1 0 318.464 1.862 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000123509144 407330569 /nfs/dbraw/zinc/33/05/69/407330569.db2.gz GCADDAZPECWOGA-QGZVFWFLSA-N 1 0 314.433 1.965 10 0 DDAERO CCN(CC)C(=O)[C@@H]1CCCN(c2cc(C[NH3+])nc(C)n2)C1 ZINC000067869203 407288470 /nfs/dbraw/zinc/28/84/70/407288470.db2.gz KSXDFGIZGBFYBO-CYBMUJFWSA-N 1 0 305.426 1.329 10 0 DDAERO Cn1cc(CCCNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)cn1 ZINC000106915659 407366675 /nfs/dbraw/zinc/36/66/75/407366675.db2.gz UQPBIBZCUFMMJS-QGZVFWFLSA-N 1 0 314.433 1.642 10 0 DDAERO C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105920164 407357157 /nfs/dbraw/zinc/35/71/57/407357157.db2.gz XHSLYCPMECVZGJ-ZBFHGGJFSA-N 1 0 320.437 1.279 10 0 DDAERO CC[C@@H]1CN(C(=O)/C=C/c2ccc(O)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000125805409 407398611 /nfs/dbraw/zinc/39/86/11/407398611.db2.gz JTONIWHASQURCM-FPTQRPOBSA-N 1 0 318.417 1.709 10 0 DDAERO CC[C@@H]1CN(c2ccc3nccnc3n2)CC[N@@H+]1CCOC ZINC000112080416 407421352 /nfs/dbraw/zinc/42/13/52/407421352.db2.gz NTUMWSNDGJRVRH-CYBMUJFWSA-N 1 0 301.394 1.572 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)COC3)C1 ZINC000127116223 407428509 /nfs/dbraw/zinc/42/85/09/407428509.db2.gz SYZKZBXFMCMLQZ-OAHLLOKOSA-N 1 0 317.389 1.256 10 0 DDAERO COc1ccc(OC)c(CC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000113231922 407482037 /nfs/dbraw/zinc/48/20/37/407482037.db2.gz MNJZHEDSGYDHJJ-DZGCQCFKSA-N 1 0 318.417 1.941 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(C(N)=O)c1 ZINC000113367233 407495809 /nfs/dbraw/zinc/49/58/09/407495809.db2.gz PLGPXUDZUKBBRK-BXUZGUMPSA-N 1 0 302.378 1.486 10 0 DDAERO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CNC(=O)C1 ZINC000171013911 407573025 /nfs/dbraw/zinc/57/30/25/407573025.db2.gz SKICDQPDHAAIGP-HNNXBMFYSA-N 1 0 303.406 1.233 10 0 DDAERO CC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000114503641 407587781 /nfs/dbraw/zinc/58/77/81/407587781.db2.gz VTMXWSYYDZZTJG-IAGOWNOFSA-N 1 0 306.406 1.165 10 0 DDAERO O=c1[nH]c(CN2CC[N@@H+]3CCC[C@@H]3C2)nc2ccc(Cl)cc12 ZINC000178627470 407516339 /nfs/dbraw/zinc/51/63/39/407516339.db2.gz PJMZCTIKAZYSCY-GFCCVEGCSA-N 1 0 318.808 1.857 10 0 DDAERO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000151928602 407527283 /nfs/dbraw/zinc/52/72/83/407527283.db2.gz BDIWBLVYKDOZNU-CHWSQXEVSA-N 1 0 311.426 1.454 10 0 DDAERO CC(=O)N1CCc2cc(C(=O)N3CC[C@H]([NH+](C)C)C3)ccc21 ZINC000170857571 407532356 /nfs/dbraw/zinc/53/23/56/407532356.db2.gz JZAHGIRZJDJTAQ-HNNXBMFYSA-N 1 0 301.390 1.372 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(CN3CCCC3=O)cc2)C1 ZINC000170859764 407533752 /nfs/dbraw/zinc/53/37/52/407533752.db2.gz OQROKTQTTKNKRU-MRXNPFEDSA-N 1 0 315.417 1.585 10 0 DDAERO COc1ccc(CCC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1OC ZINC000170861399 407534801 /nfs/dbraw/zinc/53/48/01/407534801.db2.gz UZFDTBSCYIKEPB-CQSZACIVSA-N 1 0 306.406 1.799 10 0 DDAERO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)C=C3CCC3)CC2)C1 ZINC000152033340 407548977 /nfs/dbraw/zinc/54/89/77/407548977.db2.gz DZVPIVPSUHZFSG-QGZVFWFLSA-N 1 0 321.465 1.350 10 0 DDAERO COC[C@H]([NH3+])C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000261766768 407607263 /nfs/dbraw/zinc/60/72/63/407607263.db2.gz QHRUUORIFJKNOX-ZDUSSCGKSA-N 1 0 317.345 1.122 10 0 DDAERO [NH3+][C@H](C(=O)Nc1ccc(Cn2cccn2)cc1)C1CCOCC1 ZINC000261782608 407612555 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CC[N@H+](CC(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1)C1CC1 ZINC000152721136 407675040 /nfs/dbraw/zinc/67/50/40/407675040.db2.gz PJFLYYDJODNMKQ-HNNXBMFYSA-N 1 0 319.453 1.618 10 0 DDAERO [NH3+][C@@H](C(=O)Nc1nc2c(cccc2Cl)[nH]1)C1CCOCC1 ZINC000262064519 407729566 /nfs/dbraw/zinc/72/95/66/407729566.db2.gz RXFUFDAPDGEUCF-LLVKDONJSA-N 1 0 308.769 1.909 10 0 DDAERO c1cn2cc(CN[C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)nc2s1 ZINC000262013290 407710130 /nfs/dbraw/zinc/71/01/30/407710130.db2.gz VVGVLAQKYMTILM-BFHYXJOUSA-N 1 0 306.435 1.643 10 0 DDAERO C[C@H](O)C[NH+]1CCC(CN(C)Cc2noc(C3CC3)n2)CC1 ZINC000171589197 407712085 /nfs/dbraw/zinc/71/20/85/407712085.db2.gz VLUWJSAKYFKCBC-LBPRGKRZSA-N 1 0 308.426 1.472 10 0 DDAERO Cc1nc(CN2CCC[N@@H+](Cc3c(C)nn(C)c3C)CC2)no1 ZINC000171593658 407714858 /nfs/dbraw/zinc/71/48/58/407714858.db2.gz MHSDNFULSOUZTM-UHFFFAOYSA-N 1 0 318.425 1.436 10 0 DDAERO CC(C)(C)N1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CC1=O ZINC000262027729 407716812 /nfs/dbraw/zinc/71/68/12/407716812.db2.gz 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DDAERO COC[C@H]([NH3+])C(=O)NCc1ccc(C)cc1OC[C@@H]1CCOC1 ZINC000262304388 407791249 /nfs/dbraw/zinc/79/12/49/407791249.db2.gz OHDPVAKQIXQMLB-HIFRSBDPSA-N 1 0 322.405 1.000 10 0 DDAERO C[C@@H](Cc1cccs1)NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117032806 407806992 /nfs/dbraw/zinc/80/69/92/407806992.db2.gz IZSVCGVDKGNFBF-STQMWFEESA-N 1 0 311.451 1.651 10 0 DDAERO CCOc1ccccc1NC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000262404236 407826096 /nfs/dbraw/zinc/82/60/96/407826096.db2.gz COTKYVRCMQUXEF-MJBXVCDLSA-N 1 0 303.406 1.693 10 0 DDAERO CC[C@H]1CN(C(=O)Cc2ccc(F)cc2)CC[N@@H+]1CCOC ZINC000117299901 407827881 /nfs/dbraw/zinc/82/78/81/407827881.db2.gz XADAXIDUGGPRCE-INIZCTEOSA-N 1 0 308.397 1.937 10 0 DDAERO CN(C)S(=O)(=O)c1cccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000262416715 407828717 /nfs/dbraw/zinc/82/87/17/407828717.db2.gz DPMMVVOLKNCSIS-BPUTZDHNSA-N 1 0 323.462 1.106 10 0 DDAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000117477561 407837707 /nfs/dbraw/zinc/83/77/07/407837707.db2.gz RTZSRKGTHCREIE-HUUCEWRRSA-N 1 0 314.474 1.079 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(Oc2ncccn2)cc1C ZINC000262599246 407877754 /nfs/dbraw/zinc/87/77/54/407877754.db2.gz XMBXWZUPSLARGM-GFCCVEGCSA-N 1 0 302.334 1.490 10 0 DDAERO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000262653809 407890926 /nfs/dbraw/zinc/89/09/26/407890926.db2.gz YZZQWBJGOBYXTG-MLGOLLRUSA-N 1 0 306.410 1.686 10 0 DDAERO Cc1ccccc1CN(C)C(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262489590 407848827 /nfs/dbraw/zinc/84/88/27/407848827.db2.gz KVIIBQMUNOYFAW-YESZJQIVSA-N 1 0 301.434 1.623 10 0 DDAERO C[C@H]1CCN(CC[N@H+](C)Cc2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC000187399997 407851730 /nfs/dbraw/zinc/85/17/30/407851730.db2.gz JIHYECDDZCDYOO-BBRMVZONSA-N 1 0 307.413 1.843 10 0 DDAERO CCOc1ccc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000118787365 407944118 /nfs/dbraw/zinc/94/41/18/407944118.db2.gz FPKYZYLCRLBDIP-OAHLLOKOSA-N 1 0 307.394 1.880 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCc1nc(C)no1 ZINC000175001602 408025937 /nfs/dbraw/zinc/02/59/37/408025937.db2.gz DOJMFQHKYJPZHI-ZIAGYGMSSA-N 1 0 306.410 1.786 10 0 DDAERO CC[C@H]1CN(CCO[C@@H]2CCCCO2)CC[N@@H+]1CCOC ZINC000181688889 408027723 /nfs/dbraw/zinc/02/77/23/408027723.db2.gz JJGVGDVQEKVMPH-JKSUJKDBSA-N 1 0 300.443 1.572 10 0 DDAERO CC(C)Cn1cnc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000175011442 408030435 /nfs/dbraw/zinc/03/04/35/408030435.db2.gz NXZRMLQVURPJFD-CYBMUJFWSA-N 1 0 312.439 1.008 10 0 DDAERO CCCCNC(=O)NC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000175045993 408036733 /nfs/dbraw/zinc/03/67/33/408036733.db2.gz REMLYLWXERWCSW-KBPBESRZSA-N 1 0 310.442 1.171 10 0 DDAERO CN(C)C(=O)COc1ccccc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245686213 408041325 /nfs/dbraw/zinc/04/13/25/408041325.db2.gz AQISMYXINYIYSM-INIZCTEOSA-N 1 0 317.433 1.434 10 0 DDAERO CC[C@@H]1CN(Cc2ccc3c[nH]nc3c2)CC[N@@H+]1C[C@H](C)O ZINC000245695074 408047140 /nfs/dbraw/zinc/04/71/40/408047140.db2.gz CEKIJNOQJVKGKN-XJKSGUPXSA-N 1 0 302.422 1.840 10 0 DDAERO C[C@H](O)CN1CCN(C(=O)CSCC(F)(F)F)C[C@H]1C ZINC000245585270 408021332 /nfs/dbraw/zinc/02/13/32/408021332.db2.gz LTNJXCCXCCIPPQ-ZJUUUORDSA-N 1 0 314.373 1.195 10 0 DDAERO Cn1c(C[NH2+][C@@H](CC(N)=O)C2CCCCC2)nnc1C1CC1 ZINC000181987455 408063110 /nfs/dbraw/zinc/06/31/10/408063110.db2.gz SIQSNNRSPUZBLI-ZDUSSCGKSA-N 1 0 305.426 1.606 10 0 DDAERO C[C@@H](NC(=O)N[C@H]1CCCn2ncnc21)C(C)(C)C[NH+](C)C ZINC000119515023 408085118 /nfs/dbraw/zinc/08/51/18/408085118.db2.gz TWBNLESMDLNGIT-NEPJUHHUSA-N 1 0 308.430 1.389 10 0 DDAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1ccc(OCC(F)(F)F)c(F)c1 ZINC000263297849 408095052 /nfs/dbraw/zinc/09/50/52/408095052.db2.gz WQHTYKRNJJTROK-CMPLNLGQSA-N 1 0 322.302 1.437 10 0 DDAERO Cc1ccc(-c2cc(-c3nc([C@@H]4C[NH2+]CCN4C)no3)n[nH]2)o1 ZINC000263296709 408095782 /nfs/dbraw/zinc/09/57/82/408095782.db2.gz WLVZBXRBQPNGAY-LBPRGKRZSA-N 1 0 314.349 1.604 10 0 DDAERO COc1ccc(/C=C/c2nc([C@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263317330 408104474 /nfs/dbraw/zinc/10/44/74/408104474.db2.gz ZRVCWPFOHQIMNS-LHRNQBEKSA-N 1 0 300.362 1.825 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nnnn1-c1ccccc1 ZINC000175341970 408109905 /nfs/dbraw/zinc/10/99/05/408109905.db2.gz GDEUFEJBSRSSIP-HNNXBMFYSA-N 1 0 300.410 1.578 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000246065401 408132523 /nfs/dbraw/zinc/13/25/23/408132523.db2.gz DQOPMXIODATDKL-KFWWJZLASA-N 1 0 315.483 1.522 10 0 DDAERO C[C@@H]([NH2+]CCCC(=O)NC(N)=O)c1cccc(-n2ccnc2)c1 ZINC000189913733 408134849 /nfs/dbraw/zinc/13/48/49/408134849.db2.gz JYDCWTJVGVJOHH-GFCCVEGCSA-N 1 0 315.377 1.498 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccn(C3CCCC3)n2)CCO1 ZINC000155203273 408136737 /nfs/dbraw/zinc/13/67/37/408136737.db2.gz IPVZUCNLDVCMRS-CQSZACIVSA-N 1 0 306.410 1.401 10 0 DDAERO CC(C)C[C@H](C)OCCC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000155246739 408142549 /nfs/dbraw/zinc/14/25/49/408142549.db2.gz DFEPCJSFDPRRES-LSDHHAIUSA-N 1 0 300.443 1.617 10 0 DDAERO CC[NH+](CC)CCNC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000175488997 408142544 /nfs/dbraw/zinc/14/25/44/408142544.db2.gz KRMUYYKCENRFGF-HNNXBMFYSA-N 1 0 307.442 1.707 10 0 DDAERO CC[N@H+](CC(=O)[O-])C1CC(NCc2cc(F)cc(OC)c2)C1 ZINC000263460402 408146674 /nfs/dbraw/zinc/14/66/74/408146674.db2.gz BNRVFAKGJWKDLE-UHFFFAOYSA-N 1 0 310.369 1.861 10 0 DDAERO CCc1nn(C)c(Cl)c1CN1CC[C@H](N2CCOCC2)C1 ZINC000120961724 408151017 /nfs/dbraw/zinc/15/10/17/408151017.db2.gz MCCOZOYBNCEOQO-LBPRGKRZSA-N 1 0 312.845 1.542 10 0 DDAERO Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1C ZINC000190078332 408159752 /nfs/dbraw/zinc/15/97/52/408159752.db2.gz AACYJYLUHKJWJE-HOCLYGCPSA-N 1 0 315.417 1.937 10 0 DDAERO O=C([O-])C[N@H+](CC1CC1)C1CC(NCc2ccncc2F)C1 ZINC000263519580 408160802 /nfs/dbraw/zinc/16/08/02/408160802.db2.gz QKSBSLVXWVIPGW-UHFFFAOYSA-N 1 0 307.369 1.638 10 0 DDAERO CC[C@@H]1CN(C(=O)N[C@H](COC)C2CC2)CC[N@@H+]1CCOC ZINC000246273297 408199869 /nfs/dbraw/zinc/19/98/69/408199869.db2.gz 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CCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(C(=O)OCC)cc1 ZINC000087404242 185223709 /nfs/dbraw/zinc/22/37/09/185223709.db2.gz AOEANOJWKBTACW-LBPRGKRZSA-N 1 0 314.407 1.269 10 0 DDAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000087404263 185223736 /nfs/dbraw/zinc/22/37/36/185223736.db2.gz VRXNFYPJPDDZOG-JTQLQIEISA-N 1 0 318.395 1.089 10 0 DDAERO CCC[C@H](C[NH3+])C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 ZINC000087522280 185227681 /nfs/dbraw/zinc/22/76/81/185227681.db2.gz URYPQTGCMSEFPR-SECBINFHSA-N 1 0 317.386 1.511 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)C1 ZINC000152006924 539200010 /nfs/dbraw/zinc/20/00/10/539200010.db2.gz UNARMNBNTCYWBS-HUUCEWRRSA-N 1 0 322.453 1.123 10 0 DDAERO C[C@@H]([NH3+])CCC[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000087682548 185230542 /nfs/dbraw/zinc/23/05/42/185230542.db2.gz IUHFANCSPHAJLE-WDEREUQCSA-N 1 0 313.423 1.426 10 0 DDAERO CCC[NH2+][C@H]1CCCCC[C@H]1S(=O)(=O)CCC(=O)OC ZINC000081975064 192347845 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CN(CCC(F)(F)F)S(=O)(=O)CCC1CC[NH2+]CC1 ZINC000088431644 185249809 /nfs/dbraw/zinc/24/98/09/185249809.db2.gz HRRAYWYBSXIBSZ-UHFFFAOYSA-N 1 0 302.362 1.590 10 0 DDAERO O=C(Nc1cnc(Br)cn1)[C@H]1CC12CC[NH2+]CC2 ZINC000088446400 185251142 /nfs/dbraw/zinc/25/11/42/185251142.db2.gz HPFVABMZVNMTCO-MRVPVSSYSA-N 1 0 311.183 1.567 10 0 DDAERO CC[NH+]1CCC(NCc2ccc(S(=O)(=O)N(C)C)o2)CC1 ZINC000088540395 185255696 /nfs/dbraw/zinc/25/56/96/185255696.db2.gz KMXDXKRKTDGMKB-UHFFFAOYSA-N 1 0 315.439 1.104 10 0 DDAERO CC[C@@H](COC)NS(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000088551311 185257662 /nfs/dbraw/zinc/25/76/62/185257662.db2.gz MZUGSXVBNMFVQU-LBPRGKRZSA-N 1 0 318.439 1.729 10 0 DDAERO C[N@@H+]1CCCC[C@H]1CNC(=O)c1sc2nccnc2c1N ZINC000088642405 185261393 /nfs/dbraw/zinc/26/13/93/185261393.db2.gz VAAMWGOYHGIBLE-VIFPVBQESA-N 1 0 305.407 1.488 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)c2ccn(C)c2C)C[C@@H]1CC ZINC000195266970 539263598 /nfs/dbraw/zinc/26/35/98/539263598.db2.gz ZPFJCDZQCVPNHJ-HNNXBMFYSA-N 1 0 307.438 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10 0 DDAERO COc1cc(Cl)ccc1S(=O)(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090321973 185291031 /nfs/dbraw/zinc/29/10/31/185291031.db2.gz CGTILKSOCZYPIP-UWVGGRQHSA-N 1 0 316.810 1.189 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1cc(F)ccc1F ZINC000090331603 185291228 /nfs/dbraw/zinc/29/12/28/185291228.db2.gz XBNQDAWSJPLQSC-IRUJWGPZSA-N 1 0 316.373 1.583 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)Cc1ccc(F)cc1 ZINC000090337047 185291817 /nfs/dbraw/zinc/29/18/17/185291817.db2.gz TVXMNUKCZGRVSQ-TZMCWYRMSA-N 1 0 312.410 1.585 10 0 DDAERO C[C@@H](C[NH3+])CSCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000090350975 185292083 /nfs/dbraw/zinc/29/20/83/185292083.db2.gz FHOPEUZUOTUHRZ-NSHDSACASA-N 1 0 302.465 1.765 10 0 DDAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1COC[C@@H]1[NH3+] ZINC000090382564 185293556 /nfs/dbraw/zinc/29/35/56/185293556.db2.gz NTWLZOLHAVECLJ-NEPJUHHUSA-N 1 0 303.189 1.926 10 0 DDAERO CNC(=O)c1cc(NC(=O)[C@]2(C)COC[C@@H]2[NH3+])ccc1Cl ZINC000090590015 185305651 /nfs/dbraw/zinc/30/56/51/185305651.db2.gz BNEGFWKGENOFEB-SMDDNHRTSA-N 1 0 311.769 1.002 10 0 DDAERO CCCS(=O)(=O)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000090700996 185310569 /nfs/dbraw/zinc/31/05/69/185310569.db2.gz GUAYWCPDNYLMSI-ZDUSSCGKSA-N 1 0 306.497 1.630 10 0 DDAERO Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1[C@@H](C)C[NH2+]C(C)C ZINC000092320385 185311974 /nfs/dbraw/zinc/31/19/74/185311974.db2.gz JNQWLKRBROORII-FZMZJTMJSA-N 1 0 313.467 1.961 10 0 DDAERO Cc1noc(C)c1[C@@H](C)NS(=O)(=O)c1ccccc1C[NH3+] ZINC000092344033 185313388 /nfs/dbraw/zinc/31/33/88/185313388.db2.gz IYPKFYQLRFDFEB-SNVBAGLBSA-N 1 0 309.391 1.790 10 0 DDAERO CC(C)[C@H](CO)[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000092394708 185315981 /nfs/dbraw/zinc/31/59/81/185315981.db2.gz WETHDKQHQCRSPR-LBPRGKRZSA-N 1 0 315.211 1.994 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CCCN2C)s1 ZINC000092679055 185333352 /nfs/dbraw/zinc/33/33/52/185333352.db2.gz XTOBBWVKJZXZPT-NSHDSACASA-N 1 0 317.480 1.182 10 0 DDAERO Cc1ccc(N)c(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1C ZINC000092622370 185329799 /nfs/dbraw/zinc/32/97/99/185329799.db2.gz QEVFMWRWUGVOSQ-CYBMUJFWSA-N 1 0 311.451 1.600 10 0 DDAERO [NH3+]C1CCN(CC(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000092713940 185335922 /nfs/dbraw/zinc/33/59/22/185335922.db2.gz SCLBUEHYLZZQBH-VXGBXAGGSA-N 1 0 307.360 1.647 10 0 DDAERO CC1(C)C(NS(=O)(=O)c2ccc(CC[NH3+])s2)C1(C)C ZINC000092820301 185343864 /nfs/dbraw/zinc/34/38/64/185343864.db2.gz ITTJLBCRVGZWFE-UHFFFAOYSA-N 1 0 302.465 1.962 10 0 DDAERO C[NH2+][C@@H]1c2cc(OC)ccc2C[C@H]1SCCS(C)(=O)=O ZINC000092911602 185348676 /nfs/dbraw/zinc/34/86/76/185348676.db2.gz VGOGYOHEIKZHPA-ZIAGYGMSSA-N 1 0 315.460 1.658 10 0 DDAERO CCn1c(=O)[nH]nc1S[C@@H]1Cc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092860712 185347112 /nfs/dbraw/zinc/34/71/12/185347112.db2.gz QHQGOWFZEXKBRG-NEPJUHHUSA-N 1 0 306.391 1.317 10 0 DDAERO [NH3+][C@H](c1cc2[nH]c(=O)[nH]c2cc1Br)[C@@H]1CCOC1 ZINC000052094252 190683349 /nfs/dbraw/zinc/68/33/49/190683349.db2.gz PJHPOOUVDXKYAB-KBUNVGBDSA-N 1 0 312.167 1.655 10 0 DDAERO CCCO[C@@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000111245770 185563550 /nfs/dbraw/zinc/56/35/50/185563550.db2.gz WMZGMZIKYOBJDO-YPMHNXCESA-N 1 0 308.344 1.946 10 0 DDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1ccc(Br)o1 ZINC000111269520 185570058 /nfs/dbraw/zinc/57/00/58/185570058.db2.gz SAPRCSSXFYTURJ-PSASIEDQSA-N 1 0 301.184 1.856 10 0 DDAERO C[C@H](CNC(=O)c1ccc(C(N)=S)cn1)C[NH+]1CCCC1 ZINC000111285206 185575750 /nfs/dbraw/zinc/57/57/50/185575750.db2.gz UIKGMWAZFMNHRJ-LLVKDONJSA-N 1 0 306.435 1.178 10 0 DDAERO C[NH2+][C@H](C)[C@@H]1CCCCN1S(=O)(=O)c1cccc(F)c1 ZINC000111715158 185629516 /nfs/dbraw/zinc/62/95/16/185629516.db2.gz RQJUOYOWPBMFTM-RISCZKNCSA-N 1 0 300.399 1.977 10 0 DDAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@H]1OC(F)(F)F ZINC000616636432 362764716 /nfs/dbraw/zinc/76/47/16/362764716.db2.gz RXCURDXAHVPTLB-SECBINFHSA-N 1 0 313.320 1.279 10 0 DDAERO [NH3+]C[C@@H]1CNc2ccccc2N1S(=O)(=O)c1ccccc1 ZINC000616682759 362779095 /nfs/dbraw/zinc/77/90/95/362779095.db2.gz BWLOWVARBYASLI-GFCCVEGCSA-N 1 0 303.387 1.635 10 0 DDAERO CC(C)S(=O)(=O)N1[C@@H](C(F)(F)F)CCC[C@H]1CC[NH3+] ZINC000675074142 539562970 /nfs/dbraw/zinc/56/29/70/539562970.db2.gz YJOPYPTUXIUKFP-VHSXEESVSA-N 1 0 302.362 1.859 10 0 DDAERO CCNS(=O)(=O)c1ccccc1N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000070178513 190868585 /nfs/dbraw/zinc/86/85/85/190868585.db2.gz CHFRLYWHWMBJCT-JSGCOSHPSA-N 1 0 311.451 1.548 10 0 DDAERO CC[NH2+][C@](C)(CO)CCOc1ccc(S(C)(=O)=O)cc1 ZINC000070519685 190903000 /nfs/dbraw/zinc/90/30/00/190903000.db2.gz BRQLVYAKZHMWAV-AWEZNQCLSA-N 1 0 301.408 1.220 10 0 DDAERO C[C@@H](Oc1ccc(C[NH3+])cc1Br)C(=O)NC1CC1 ZINC000070579964 190907768 /nfs/dbraw/zinc/90/77/68/190907768.db2.gz BJPYXSBYTYUNMC-MRVPVSSYSA-N 1 0 313.195 1.954 10 0 DDAERO CC[C@@H]1CN(CCS(C)(=O)=O)[C@@](C)(c2ccccc2)C[NH2+]1 ZINC000071345774 190960560 /nfs/dbraw/zinc/96/05/60/190960560.db2.gz XEQVIPKELPLRKN-HZPDHXFCSA-N 1 0 310.463 1.630 10 0 DDAERO CC1(C)CN(CCS(C)(=O)=O)[C@H](C2CCCCC2)C[NH2+]1 ZINC000071343032 190961517 /nfs/dbraw/zinc/96/15/17/190961517.db2.gz UZATWCUBRKVVLX-AWEZNQCLSA-N 1 0 302.484 1.664 10 0 DDAERO [NH3+]Cc1ccc(OCCN2CCNC2=O)c(C(F)(F)F)c1 ZINC000071398454 190966653 /nfs/dbraw/zinc/96/66/53/190966653.db2.gz LYAVUFQTWHMAKS-UHFFFAOYSA-N 1 0 303.284 1.568 10 0 DDAERO C[NH2+][C@H](C[S@@](=O)CCOC)c1cc(OC)ccc1OC ZINC000084035721 192396665 /nfs/dbraw/zinc/39/66/65/192396665.db2.gz FFKAWGBIYDKVNF-ZUOKHONESA-N 1 0 301.408 1.359 10 0 DDAERO CCC[NH2+][C@@H](C)CC[S@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084056405 192398392 /nfs/dbraw/zinc/39/83/92/192398392.db2.gz CONYOAWJLZJURN-HXPMCKFVSA-N 1 0 317.476 1.976 10 0 DDAERO CSCC[C@H]([NH3+])C(=O)Nc1ncccc1Br ZINC000083891735 192389695 /nfs/dbraw/zinc/38/96/95/192389695.db2.gz OBKDXKNENBMFTE-QMMMGPOBSA-N 1 0 304.213 1.863 10 0 DDAERO Nc1cccc(-c2nc(CC(=O)N3CCC[NH2+]CC3)cs2)c1 ZINC000071694067 191008469 /nfs/dbraw/zinc/00/84/69/191008469.db2.gz APLWCCHJUFFHEC-UHFFFAOYSA-N 1 0 316.430 1.757 10 0 DDAERO CCn1cc(Br)cc1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000133641551 186002274 /nfs/dbraw/zinc/00/22/74/186002274.db2.gz OOUIAMFPQWZXTR-SECBINFHSA-N 1 0 300.200 1.610 10 0 DDAERO C=Cn1cc(C[NH2+]C[C@H]2CCCN2c2cc(NC)ncn2)cn1 ZINC000194297589 186278966 /nfs/dbraw/zinc/27/89/66/186278966.db2.gz VDOSBSJDBRIQOC-CQSZACIVSA-N 1 0 313.409 1.574 10 0 DDAERO COCc1cccc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000171900745 198003862 /nfs/dbraw/zinc/00/38/62/198003862.db2.gz YMRUJXCQXDCNPU-INIZCTEOSA-N 1 0 303.406 1.823 10 0 DDAERO CN(Cc1ccccc1F)C(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172803779 198151920 /nfs/dbraw/zinc/15/19/20/198151920.db2.gz XPQLJUDOFKNFGN-MRXNPFEDSA-N 1 0 319.424 1.954 10 0 DDAERO C[C@@H](O)CN1CCN(C(=O)c2cc(F)c(F)c(F)c2)C[C@H]1C ZINC000174346745 198322380 /nfs/dbraw/zinc/32/23/80/198322380.db2.gz DIKKSVIPEXGBID-NXEZZACHSA-N 1 0 316.323 1.631 10 0 DDAERO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000174480390 198339918 /nfs/dbraw/zinc/33/99/18/198339918.db2.gz QXHNSKJUIAMLCO-QZTJIDSGSA-N 1 0 317.477 1.960 10 0 DDAERO CC[C@H]1CN(C(=O)c2ccnc(Cl)c2)CC[N@@H+]1C[C@@H](C)O ZINC000174634851 198362492 /nfs/dbraw/zinc/36/24/92/198362492.db2.gz WWDVJQPIUQTDPP-YPMHNXCESA-N 1 0 311.813 1.652 10 0 DDAERO CCNC(=O)c1ccc(N2CC[N@H+](CCOC)[C@@H](CC)C2)nc1 ZINC000174736591 198378122 /nfs/dbraw/zinc/37/81/22/198378122.db2.gz BDLLKPKIGGEQIO-HNNXBMFYSA-N 1 0 320.437 1.378 10 0 DDAERO CCOCC(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000174853882 198393404 /nfs/dbraw/zinc/39/34/04/198393404.db2.gz IRLZGHGTXWQIAJ-QGZVFWFLSA-N 1 0 320.433 1.585 10 0 DDAERO CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CC[NH2+]CC1)O2 ZINC000113428610 353976992 /nfs/dbraw/zinc/97/69/92/353976992.db2.gz HEJFARVWMBSBTR-UHFFFAOYSA-N 1 0 310.375 1.146 10 0 DDAERO C[C@H]([NH2+]CC(=O)NCC(=O)N1CCCC1)c1cccc(Cl)c1 ZINC000126203096 354051897 /nfs/dbraw/zinc/05/18/97/354051897.db2.gz RDBIAAPVJNSXRR-LBPRGKRZSA-N 1 0 323.824 1.729 10 0 DDAERO C[C@H](C[NH+](C)C)Nc1ncncc1I ZINC000130599116 354094609 /nfs/dbraw/zinc/09/46/09/354094609.db2.gz IEPYAMVGSGJDBO-SSDOTTSWSA-N 1 0 306.151 1.443 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)NCCCSC)C[C@@H]1CC ZINC000153506007 354199577 /nfs/dbraw/zinc/19/95/77/354199577.db2.gz XMDYFOCJTFQBDH-AWEZNQCLSA-N 1 0 317.499 1.882 10 0 DDAERO CCN(Cc1ccccc1)C(=O)CN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000403979126 354671496 /nfs/dbraw/zinc/67/14/96/354671496.db2.gz DMALRBKUUSNYJN-SJORKVTESA-N 1 0 317.433 1.098 10 0 DDAERO CO[C@]1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCOC1 ZINC000276989479 213223288 /nfs/dbraw/zinc/22/32/88/213223288.db2.gz VTYHHCHYSCMFOD-FUHWJXTLSA-N 1 0 318.417 1.573 10 0 DDAERO CC(C)c1n[nH]c(C(=O)NCCCC[NH3+])c1Br ZINC000236817828 202023543 /nfs/dbraw/zinc/02/35/43/202023543.db2.gz WAJYSWGQETXSII-UHFFFAOYSA-N 1 0 303.204 1.764 10 0 DDAERO Ic1ccc(NCC[NH2+]C2CC2)nc1 ZINC000591427056 355307940 /nfs/dbraw/zinc/30/79/40/355307940.db2.gz SGGGJPIFDYDQBW-UHFFFAOYSA-N 1 0 303.147 1.272 10 0 DDAERO CC1([NH3+])CCN(c2ncc(I)cn2)CC1 ZINC000591435642 355310506 /nfs/dbraw/zinc/31/05/06/355310506.db2.gz SJUHWQLMWYKMKO-UHFFFAOYSA-N 1 0 318.162 1.399 10 0 DDAERO C[C@@H]1Sc2ccc(CC(=O)NCC[NH+](C)C)cc2NC1=O ZINC000074971773 191399241 /nfs/dbraw/zinc/39/92/41/191399241.db2.gz OMLPWXYNSPBQMS-JTQLQIEISA-N 1 0 307.419 1.340 10 0 DDAERO NS(=O)(=O)[C@@H]1CC[C@@H](c2ccccc2OC(F)(F)F)[NH2+]C1 ZINC000080106165 192002218 /nfs/dbraw/zinc/00/22/18/192002218.db2.gz BROZAFODWDYUAU-SCZZXKLOSA-N 1 0 324.324 1.667 10 0 DDAERO C[C@H](NC(=O)[C@@H]1CCCN1C1CC[NH2+]CC1)c1nccs1 ZINC000080269654 192019614 /nfs/dbraw/zinc/01/96/14/192019614.db2.gz RBWVKPGKCFNPSP-AAEUAGOBSA-N 1 0 308.451 1.537 10 0 DDAERO NC(=O)C[N@H+](C[C@H](C(N)=S)c1ccccc1)C1CCCC1 ZINC000080797328 192191717 /nfs/dbraw/zinc/19/17/17/192191717.db2.gz ZXLWNJDYTJWCFM-AWEZNQCLSA-N 1 0 305.447 1.786 10 0 DDAERO [NH3+]C1(COc2ccc(S(=O)(=O)NC3CC3)cc2)CCCC1 ZINC000080851698 192195245 /nfs/dbraw/zinc/19/52/45/192195245.db2.gz PIAONGQNBMCIRN-UHFFFAOYSA-N 1 0 310.419 1.778 10 0 DDAERO 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C[C@@H]([NH3+])[C@@H](Oc1cccc(S(C)(=O)=O)c1)c1cccnc1 ZINC000043351305 183356700 /nfs/dbraw/zinc/35/67/00/183356700.db2.gz QBLKCRMMJQIEGU-IAQYHMDHSA-N 1 0 306.387 1.952 10 0 DDAERO CC[NH2+]Cc1ccc(O[C@H](C)C(=O)NCCOC)c(Cl)c1 ZINC000043478707 183365598 /nfs/dbraw/zinc/36/55/98/183365598.db2.gz SYHFPZHIJAYXCZ-LLVKDONJSA-N 1 0 314.813 1.979 10 0 DDAERO Cc1cc(Br)cc(C)c1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043707833 183382848 /nfs/dbraw/zinc/38/28/48/183382848.db2.gz PUTZHKOGUHLBJW-NSHDSACASA-N 1 0 313.195 1.993 10 0 DDAERO CCCCOCCNS(=O)(=O)c1ccc(C[NH2+]C)cc1 ZINC000045110534 183482373 /nfs/dbraw/zinc/48/23/73/183482373.db2.gz WWPVPHVPZQZKCE-UHFFFAOYSA-N 1 0 300.424 1.501 10 0 DDAERO O=C(NCc1nccn1C(F)F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105225720 194087250 /nfs/dbraw/zinc/08/72/50/194087250.db2.gz GMZVJAZQZQHUNG-LLVKDONJSA-N 1 0 313.352 1.658 10 0 DDAERO CC[C@H]1CN(Cc2ccc(C(N)=O)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000105826500 194137114 /nfs/dbraw/zinc/13/71/14/194137114.db2.gz FEYXOOLHBYBQAV-CJNGLKHVSA-N 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CC(=O)c1cccc(NC(=O)CN2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000155289704 197040909 /nfs/dbraw/zinc/04/09/09/197040909.db2.gz QSOYQGUYMBKUHO-MRXNPFEDSA-N 1 0 319.405 1.090 10 0 DDAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC000154932243 197005667 /nfs/dbraw/zinc/00/56/67/197005667.db2.gz QSOCKOFVJXJVCH-LLVKDONJSA-N 1 0 320.817 1.945 10 0 DDAERO COC[C@@H]([NH2+][C@@H]1CCc2nnc(C(C)C)n2C1)C1CCOCC1 ZINC000188342140 285241903 /nfs/dbraw/zinc/24/19/03/285241903.db2.gz GVIQNXDXNSOICG-HUUCEWRRSA-N 1 0 322.453 1.748 10 0 DDAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CC[C@@H]3CCOC3=O)C2)n1 ZINC000120489640 195175736 /nfs/dbraw/zinc/17/57/36/195175736.db2.gz NAQHNYTXHMNVSN-HUUCEWRRSA-N 1 0 306.410 1.560 10 0 DDAERO Cc1cnn(CC[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2=O)c1 ZINC000120564458 195191396 /nfs/dbraw/zinc/19/13/96/195191396.db2.gz SDVRFHPKXCZVDG-CQSZACIVSA-N 1 0 320.343 1.865 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2ccc(C(=O)OCC)o2)C[C@@H]1C ZINC000120901172 195260987 /nfs/dbraw/zinc/26/09/87/195260987.db2.gz 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COCCn1cc2c(n1)[C@H](C[NH2+]Cc1ccc(C)o1)OCC2 ZINC000096086885 257135643 /nfs/dbraw/zinc/13/56/43/257135643.db2.gz CBJGBYMJESZMBZ-HNNXBMFYSA-N 1 0 305.378 1.835 10 0 DDAERO Fc1ccccc1C[N@@H+]1C[C@@H]2COC[C@@]2(CN2CCOCC2)C1 ZINC000503717016 257209886 /nfs/dbraw/zinc/20/98/86/257209886.db2.gz KYAIRFUMXXTPMY-SJLPKXTDSA-N 1 0 320.408 1.606 10 0 DDAERO Fc1cnc(N2CC[C@@]3(C2)C[C@@H]([NH+]2CCCC2)CCO3)nc1 ZINC000503717020 257209987 /nfs/dbraw/zinc/20/99/87/257209987.db2.gz LAEWENJFQIKYEV-HOCLYGCPSA-N 1 0 306.385 1.839 10 0 DDAERO COc1ccc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)cn1 ZINC000121822977 195355312 /nfs/dbraw/zinc/35/53/12/195355312.db2.gz OPKIKYOUYNAJLA-CYBMUJFWSA-N 1 0 322.409 1.121 10 0 DDAERO CC(C)[NH2+]C[C@H]1CCCN(c2ccc(S(N)(=O)=O)cc2)C1 ZINC000063140288 134813147 /nfs/dbraw/zinc/81/31/47/134813147.db2.gz GCRIHAPKSRDQGJ-CYBMUJFWSA-N 1 0 311.451 1.548 10 0 DDAERO Cc1ccc(N2CC[C@H](N3CCO[C@H](C[NH+](C)C)C3)C2=O)cc1 ZINC000119303764 292138447 /nfs/dbraw/zinc/13/84/47/292138447.db2.gz 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CC(C)(C)OC(=O)N1CCc2nc(N3CC[NH2+]CC3)ncc2C1 ZINC000098213313 407306974 /nfs/dbraw/zinc/30/69/74/407306974.db2.gz PICYPOZQWUFRKH-UHFFFAOYSA-N 1 0 319.409 1.179 10 0 DDAERO CN1CCO[C@H](C[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000122875318 407313023 /nfs/dbraw/zinc/31/30/23/407313023.db2.gz VEDJUXAMZSZBKL-MCIONIFRSA-N 1 0 313.442 1.352 10 0 DDAERO CCCC[NH+]1CCC(NC(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000112747363 407438576 /nfs/dbraw/zinc/43/85/76/407438576.db2.gz WFYHHNXEDAZGHZ-AWEZNQCLSA-N 1 0 320.441 1.157 10 0 DDAERO CS[C@@H](C)CC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000125631237 407393341 /nfs/dbraw/zinc/39/33/41/407393341.db2.gz BEOCZWUEOQEQJZ-OLZOCXBDSA-N 1 0 302.484 1.679 10 0 DDAERO C[C@@H](CNC(=O)N[C@H]1CCc2ncnn2C1)C[NH+]1CCCCC1 ZINC000112745095 407438893 /nfs/dbraw/zinc/43/88/93/407438893.db2.gz AVBPSNOKUZRADX-KBPBESRZSA-N 1 0 320.441 1.014 10 0 DDAERO CC[C@@H]1CN(Cc2ccc3c(c2)CCO3)CC[N@@H+]1C[C@@H](C)O ZINC000111227885 407401388 /nfs/dbraw/zinc/40/13/88/407401388.db2.gz 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ZINC000113271216 407483516 /nfs/dbraw/zinc/48/35/16/407483516.db2.gz KJAQKBJLRODPBW-MAUKXSAKSA-N 1 0 313.445 1.740 10 0 DDAERO CCCNC(=O)[C@@H](C)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195290431 407448603 /nfs/dbraw/zinc/44/86/03/407448603.db2.gz JTJXFVRYONHKAA-NVXWUHKLSA-N 1 0 318.465 1.750 10 0 DDAERO CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195450718 407458593 /nfs/dbraw/zinc/45/85/93/407458593.db2.gz LXJNDJHEHHJMLX-GFCCVEGCSA-N 1 0 311.426 1.596 10 0 DDAERO Cc1nc(C)c(CCC(=O)N[C@H](CC(C)C)C[NH+](C)C)c(=O)[nH]1 ZINC000128915336 407583942 /nfs/dbraw/zinc/58/39/42/407583942.db2.gz MRVRITMYBOHYSU-CQSZACIVSA-N 1 0 322.453 1.412 10 0 DDAERO COc1ncccc1CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113589757 407516714 /nfs/dbraw/zinc/51/67/14/407516714.db2.gz YVJYBEAWDYROAN-TZMCWYRMSA-N 1 0 304.394 1.468 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCNc1ccccn1 ZINC000113594773 407518460 /nfs/dbraw/zinc/51/84/60/407518460.db2.gz SIXPZAPZCWHNDU-LSDHHAIUSA-N 1 0 317.437 1.762 10 0 DDAERO O=c1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)nc2ccc(Cl)cn12 ZINC000178635940 407519036 /nfs/dbraw/zinc/51/90/36/407519036.db2.gz BHXVDFOKDDYNOX-CQSZACIVSA-N 1 0 318.808 1.628 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)CCc2nc(-c3ccncc3)no2)C1 ZINC000170856517 407530125 /nfs/dbraw/zinc/53/01/25/407530125.db2.gz GGEFYIJHXAGVQG-CYBMUJFWSA-N 1 0 315.377 1.227 10 0 DDAERO CN(C)C(=O)c1ccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)[nH]1 ZINC000128395704 407531457 /nfs/dbraw/zinc/53/14/57/407531457.db2.gz ZZKXZPPAYYSUCL-LBPRGKRZSA-N 1 0 301.394 1.440 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccc3c(c2)OCCO3)C1 ZINC000170862548 407534977 /nfs/dbraw/zinc/53/49/77/407534977.db2.gz OQOANEBKKVJCKP-CYBMUJFWSA-N 1 0 305.378 1.303 10 0 DDAERO Brc1cnccc1N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261571462 407545290 /nfs/dbraw/zinc/54/52/90/407545290.db2.gz LBKKWYGLUBLTFQ-NSHDSACASA-N 1 0 311.227 1.328 10 0 DDAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ncccc3Br)C[C@H]12 ZINC000261588060 407545515 /nfs/dbraw/zinc/54/55/15/407545515.db2.gz VKSRCKKAIPWFEX-ATZCPNFKSA-N 1 0 310.195 1.653 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)NCCCc2ccccc2)C1 ZINC000170903713 407547954 /nfs/dbraw/zinc/54/79/54/407547954.db2.gz YMXJJHRCZYSTSN-INIZCTEOSA-N 1 0 317.433 1.336 10 0 DDAERO CCOc1ccc(CNC(=O)C2([NH3+])CCOCC2)cc1OC ZINC000261766009 407605872 /nfs/dbraw/zinc/60/58/72/407605872.db2.gz GIVDNBLOWSWPGJ-UHFFFAOYSA-N 1 0 308.378 1.218 10 0 DDAERO Cc1cc(C)n(C[C@H]2CN(C(=O)CC[C@H]3CC[NH2+]C3)CCO2)n1 ZINC000261776502 407609599 /nfs/dbraw/zinc/60/95/99/407609599.db2.gz JDDFSZGZHXBISN-JKSUJKDBSA-N 1 0 320.437 1.117 10 0 DDAERO CCO[C@H]1C[C@@H]([NH2+]CCNC(=O)c2ccco2)C12CCOCC2 ZINC000186221618 407609702 /nfs/dbraw/zinc/60/97/02/407609702.db2.gz JBRVFGHFDLOLOL-CABCVRRESA-N 1 0 322.405 1.573 10 0 DDAERO [NH3+][C@H](C(=O)N[C@H]1CCOc2ccc(F)cc21)C1CCOCC1 ZINC000261805507 407622818 /nfs/dbraw/zinc/62/28/18/407622818.db2.gz OJIGIZZQBBNPFY-ZFWWWQNUSA-N 1 0 308.353 1.519 10 0 DDAERO C[C@H](CC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000178861198 407630518 /nfs/dbraw/zinc/63/05/18/407630518.db2.gz XHMJNCCPCDKMHD-TWMKSMIVSA-N 1 0 323.481 1.191 10 0 DDAERO Cc1nc(C[C@H]2CCCN(C(=O)[C@H]3CC34CC[NH2+]CC4)C2)no1 ZINC000261882195 407652425 /nfs/dbraw/zinc/65/24/25/407652425.db2.gz AJNOUJBBIDLCRE-ZIAGYGMSSA-N 1 0 318.421 1.549 10 0 DDAERO CCc1nc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cs1 ZINC000261885301 407653851 /nfs/dbraw/zinc/65/38/51/407653851.db2.gz FTHIZJHULUOLCO-KFWWJZLASA-N 1 0 309.479 1.995 10 0 DDAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000114562385 407592146 /nfs/dbraw/zinc/59/21/46/407592146.db2.gz YMUKUKDFJRCFGY-HZPDHXFCSA-N 1 0 306.406 1.117 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)CCC2CCCC2)C1 ZINC000171088072 407594615 /nfs/dbraw/zinc/59/46/15/407594615.db2.gz TZDHICLWLSPVMJ-OAHLLOKOSA-N 1 0 309.454 1.674 10 0 DDAERO [NH3+]C1(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)CCOCC1 ZINC000261921159 407672120 /nfs/dbraw/zinc/67/21/20/407672120.db2.gz UZMSUOCDEISTAY-LBPRGKRZSA-N 1 0 316.323 1.784 10 0 DDAERO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000171427073 407685780 /nfs/dbraw/zinc/68/57/80/407685780.db2.gz GRPOBOYHCSEHGT-JTQLQIEISA-N 1 0 306.790 1.804 10 0 DDAERO CCS[C@@H]1CC[C@@H](N(C)C(=O)C2(C[NH3+])CCOCC2)C1 ZINC000261952289 407688590 /nfs/dbraw/zinc/68/85/90/407688590.db2.gz ONMOYDWLANYSRC-CHWSQXEVSA-N 1 0 300.468 1.875 10 0 DDAERO NC(=O)c1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000171563997 407704888 /nfs/dbraw/zinc/70/48/88/407704888.db2.gz DHXVWJCXAIIXSA-CQSZACIVSA-N 1 0 302.378 1.488 10 0 DDAERO CC(C)(CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000236675761 407747524 /nfs/dbraw/zinc/74/75/24/407747524.db2.gz SEDYLFUVEGJFOC-OCCSQVGLSA-N 1 0 318.417 1.979 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1ccc(Oc2ccc(OC)cc2)nc1 ZINC000262241267 407772573 /nfs/dbraw/zinc/77/25/73/407772573.db2.gz HSRITOMMEYKEPL-AWEZNQCLSA-N 1 0 317.345 1.795 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)C(=O)c2ccc3c(c2)CCC3)CCO1 ZINC000116782984 407773309 /nfs/dbraw/zinc/77/33/09/407773309.db2.gz RWJBQEIHDOIMIY-INIZCTEOSA-N 1 0 316.401 1.147 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)Cn2nc(C)cc2C)C[C@@H]1CC ZINC000116768715 407773431 /nfs/dbraw/zinc/77/34/31/407773431.db2.gz GYWGOGWNXFTINP-INIZCTEOSA-N 1 0 322.453 1.459 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)C(=O)c2ccc3c(c2)CCC3)CCO1 ZINC000116782981 407774074 /nfs/dbraw/zinc/77/40/74/407774074.db2.gz RWJBQEIHDOIMIY-MRXNPFEDSA-N 1 0 316.401 1.147 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(Br)c[nH]2)CCO1 ZINC000116797874 407780785 /nfs/dbraw/zinc/78/07/85/407780785.db2.gz IYAKSIBXKVNWCB-SNVBAGLBSA-N 1 0 316.199 1.180 10 0 DDAERO COC[C@H]([NH3+])C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000262264363 407778991 /nfs/dbraw/zinc/77/89/91/407778991.db2.gz JSMPZAUMXUBACT-CABZTGNLSA-N 1 0 315.211 1.470 10 0 DDAERO COc1ccc(CCCC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000116793324 407779773 /nfs/dbraw/zinc/77/97/73/407779773.db2.gz FLIDREGIDMWNKQ-KRWDZBQOSA-N 1 0 320.433 1.807 10 0 DDAERO COC[C@@H]([NH3+])C(=O)NCc1ccc(C)cc1OC[C@@H]1CCCO1 ZINC000262383002 407818674 /nfs/dbraw/zinc/81/86/74/407818674.db2.gz YBJXWCQRIINWAI-LSDHHAIUSA-N 1 0 322.405 1.143 10 0 DDAERO Cc1cnn(CCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000117812816 407862425 /nfs/dbraw/zinc/86/24/25/407862425.db2.gz NSXXQPDRFNYBGN-QGZVFWFLSA-N 1 0 312.417 1.972 10 0 DDAERO CN(CC1(O)CCCC1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000153680585 407878236 /nfs/dbraw/zinc/87/82/36/407878236.db2.gz VNXLZVDRDZOLNP-MRXNPFEDSA-N 1 0 304.434 1.923 10 0 DDAERO NC(=O)c1ccc(N2CCCC2)c(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000262615434 407882417 /nfs/dbraw/zinc/88/24/17/407882417.db2.gz KUMSGWFFUUEHBQ-OLZOCXBDSA-N 1 0 316.405 1.452 10 0 DDAERO CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000262649319 407892762 /nfs/dbraw/zinc/89/27/62/407892762.db2.gz WTGFCXNUISUNTQ-MELADBBJSA-N 1 0 309.454 1.515 10 0 DDAERO Cc1nc(C)n(C[C@H]2CCC[N@@H+]([C@@H](C)CN3CCOCC3)C2)n1 ZINC000180478497 407893330 /nfs/dbraw/zinc/89/33/30/407893330.db2.gz PNLWPSMPHKGLBT-YOEHRIQHSA-N 1 0 321.469 1.328 10 0 DDAERO CCC[C@](C)([NH3+])C(=O)N1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000262712799 407906442 /nfs/dbraw/zinc/90/64/42/407906442.db2.gz RYVCTLCADBQBJR-WBMJQRKESA-N 1 0 323.441 1.355 10 0 DDAERO CC[C@H]1CN(C(=O)c2cnn(CC(C)C)c2)CCN1CCOC ZINC000181019931 407946382 /nfs/dbraw/zinc/94/63/82/407946382.db2.gz FMZRJTDPTGCJRJ-INIZCTEOSA-N 1 0 322.453 1.722 10 0 DDAERO CO[C@H](C[NH3+])CC(=O)Nc1ccnn1Cc1ccc(Cl)cc1 ZINC000262841991 407952871 /nfs/dbraw/zinc/95/28/71/407952871.db2.gz IZYYYNKRNXMJAI-ZDUSSCGKSA-N 1 0 322.796 1.887 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N(C)Cc1ccco1 ZINC000245439708 407983094 /nfs/dbraw/zinc/98/30/94/407983094.db2.gz SZYYCNKUBPNKHU-CABCVRRESA-N 1 0 305.422 1.797 10 0 DDAERO COCCN1CC[N@H+](CCC(=O)N(C)c2ccccc2)C[C@@H]1C ZINC000135050282 407966941 /nfs/dbraw/zinc/96/69/41/407966941.db2.gz XPAPFDFGSDUGBH-INIZCTEOSA-N 1 0 319.449 1.692 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NC(=O)NCC(C)C ZINC000245415268 407971115 /nfs/dbraw/zinc/97/11/15/407971115.db2.gz DBVVQJVDKKLQAN-KGLIPLIRSA-N 1 0 310.442 1.027 10 0 DDAERO CCOC(=O)N[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)C(C)C ZINC000245436628 407979080 /nfs/dbraw/zinc/97/90/80/407979080.db2.gz VNMBWOWWLTVLSS-KBPBESRZSA-N 1 0 313.442 1.700 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN([C@@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000174096503 407915029 /nfs/dbraw/zinc/91/50/29/407915029.db2.gz IKNXQISMGXYUFU-JKSUJKDBSA-N 1 0 313.486 1.409 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnn2ccc(C)nc12 ZINC000175028044 408032366 /nfs/dbraw/zinc/03/23/66/408032366.db2.gz NAFITRQLZBSXOD-ZIAGYGMSSA-N 1 0 313.405 1.737 10 0 DDAERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccc(OC(F)F)cc2)n1 ZINC000263125101 408032695 /nfs/dbraw/zinc/03/26/95/408032695.db2.gz BEKQTHIHXIODHI-NSHDSACASA-N 1 0 310.304 1.914 10 0 DDAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cc(-c3ccccc3)[nH]n2)n1 ZINC000263173495 408046459 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ZINC000194537716 163287327 /nfs/dbraw/zinc/28/73/27/163287327.db2.gz DQCSZDMTQKIADR-KBPBESRZSA-N 1 0 316.401 1.766 10 0 DDAERO Cc1ccc2c([O-])c(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cnc2n1 ZINC000195331668 163316678 /nfs/dbraw/zinc/31/66/78/163316678.db2.gz VJNONNTVTXVASK-GFCCVEGCSA-N 1 0 312.373 1.564 10 0 DDAERO CCC(=O)Nc1cccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000195334893 163317585 /nfs/dbraw/zinc/31/75/85/163317585.db2.gz QDDHJPUFWWOQOR-HNNXBMFYSA-N 1 0 301.390 1.955 10 0 DDAERO COCCOc1ccccc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195337243 163318470 /nfs/dbraw/zinc/31/84/70/163318470.db2.gz BRDKAYBHGIDYEA-AWEZNQCLSA-N 1 0 304.390 1.632 10 0 DDAERO CCCc1noc(CCCC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000195335681 163318589 /nfs/dbraw/zinc/31/85/89/163318589.db2.gz LHQCMFCITAYXGL-CYBMUJFWSA-N 1 0 306.410 1.651 10 0 DDAERO CC[N@H+](CCNc1cnn(C)c(=O)c1Br)C1CC1 ZINC000226485450 163336350 /nfs/dbraw/zinc/33/63/50/163336350.db2.gz CFZLUFQPZAXEEW-UHFFFAOYSA-N 1 0 315.215 1.439 10 0 DDAERO C[NH2+][C@H](C)CNS(=O)(=O)c1cc(Br)ccc1C ZINC000261561987 163667215 /nfs/dbraw/zinc/66/72/15/163667215.db2.gz VWNCWUMDYQNDRL-SECBINFHSA-N 1 0 321.240 1.644 10 0 DDAERO CC1(C)CN(C(=O)c2cccc(S(C)(=O)=O)c2)CC[C@@H]1[NH3+] ZINC000261621038 163672920 /nfs/dbraw/zinc/67/29/20/163672920.db2.gz GITMCBXDCSMSDW-ZDUSSCGKSA-N 1 0 310.419 1.290 10 0 DDAERO [NH3+]C1(C(=O)NC[C@@H](O)c2c(F)cccc2Cl)CCOCC1 ZINC000261646678 163678221 /nfs/dbraw/zinc/67/82/21/163678221.db2.gz ACILLAQKNPTADT-LLVKDONJSA-N 1 0 316.760 1.137 10 0 DDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000261831271 163711024 /nfs/dbraw/zinc/71/10/24/163711024.db2.gz YUMINLFYJRKEKT-IUODEOHRSA-N 1 0 301.390 1.285 10 0 DDAERO Cn1ccnc1[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)CCN1C ZINC000280176354 409264575 /nfs/dbraw/zinc/26/45/75/409264575.db2.gz SSYNMBNJQDXNIL-SJORKVTESA-N 1 0 314.433 1.312 10 0 DDAERO Cc1cc(S(=O)(=O)N2CC[C@H]([NH3+])C(C)(C)C2)ccc1F ZINC000261893919 163722806 /nfs/dbraw/zinc/72/28/06/163722806.db2.gz VTYFWSWSKRSTLT-ZDUSSCGKSA-N 1 0 300.399 1.882 10 0 DDAERO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1F ZINC000261984210 163743125 /nfs/dbraw/zinc/74/31/25/163743125.db2.gz JOUUPTJJEXWALX-LDYMZIIASA-N 1 0 306.790 1.898 10 0 DDAERO CC1(C)CN(C(=O)[C@@H]2CCCN2c2nccs2)CC[C@H]1[NH3+] ZINC000261994861 163745209 /nfs/dbraw/zinc/74/52/09/163745209.db2.gz NBQUDUPIDWEINU-NWDGAFQWSA-N 1 0 308.451 1.698 10 0 DDAERO COc1ccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1OCC(N)=O ZINC000262325105 163807519 /nfs/dbraw/zinc/80/75/19/163807519.db2.gz WSXIRXVTFGFGMU-WDEREUQCSA-N 1 0 321.377 1.015 10 0 DDAERO C[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262326390 163807887 /nfs/dbraw/zinc/80/78/87/163807887.db2.gz RVTULEBQYBYVNL-CWSCBRNRSA-N 1 0 314.838 1.517 10 0 DDAERO CC[C@@H](C)[C@H]([NH3+])C(=O)NCCCNC(=O)c1cccc(O)c1 ZINC000262696647 163866108 /nfs/dbraw/zinc/86/61/08/163866108.db2.gz DZDLRXNXDDKQPV-RISCZKNCSA-N 1 0 307.394 1.002 10 0 DDAERO CC(C)n1cc([C@@]2(O)CC[N@H+](Cc3ccc(CO)cc3)C2)nn1 ZINC000284979010 409384436 /nfs/dbraw/zinc/38/44/36/409384436.db2.gz SHKNSPXBDOBTJT-QGZVFWFLSA-N 1 0 316.405 1.445 10 0 DDAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000263073780 163911485 /nfs/dbraw/zinc/91/14/85/163911485.db2.gz WVTAUOMJMIFFND-JMSVASOKSA-N 1 0 309.435 1.951 10 0 DDAERO CCC[NH+]1CCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)CC1 ZINC000049930732 418478092 /nfs/dbraw/zinc/47/80/92/418478092.db2.gz FFDKPOSATXETCD-AWEZNQCLSA-N 1 0 318.421 1.751 10 0 DDAERO Cn1cc(C(=O)C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cn1 ZINC000195157368 418552691 /nfs/dbraw/zinc/55/26/91/418552691.db2.gz IVOGFZZXXSXBCE-CQSZACIVSA-N 1 0 300.362 1.022 10 0 DDAERO C[NH2+][C@H](C)CNC(=O)c1cc(Br)ccc1OC ZINC000302444415 418588887 /nfs/dbraw/zinc/58/88/87/418588887.db2.gz BPDTXBQKFGOUBH-MRVPVSSYSA-N 1 0 301.184 1.795 10 0 DDAERO O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CNC(=O)C1 ZINC000194769927 222183226 /nfs/dbraw/zinc/18/32/26/222183226.db2.gz STSUQHNCBGPRAB-CQSZACIVSA-N 1 0 307.438 1.428 10 0 DDAERO CN(c1ccc(I)cn1)C1CC([NH3+])C1 ZINC000420283887 420180291 /nfs/dbraw/zinc/18/02/91/420180291.db2.gz OIVWHKDPFOAZRT-UHFFFAOYSA-N 1 0 303.147 1.612 10 0 DDAERO C[C@@H]([NH2+]CC1(C)OCCO1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496334277 421233229 /nfs/dbraw/zinc/23/32/29/421233229.db2.gz ZZNSULRDSXAMEZ-CHWSQXEVSA-N 1 0 314.426 1.985 10 0 DDAERO Cn1cc(O[C@@H]2C[N@H+](Cc3cccc(C4CC4)c3)C[C@H]2O)cn1 ZINC000628376672 422158554 /nfs/dbraw/zinc/15/85/54/422158554.db2.gz GTACGZJNZHHXPT-QZTJIDSGSA-N 1 0 313.401 1.922 10 0 DDAERO CO[C@@H]1C[NH2+][C@H](C(=O)NCc2ccccc2-n2ccnc2C)C1 ZINC000583618184 422206315 /nfs/dbraw/zinc/20/63/15/422206315.db2.gz KVFGOGFEKNASAJ-GJZGRUSLSA-N 1 0 314.389 1.174 10 0 DDAERO Cn1nncc1C[NH2+][C@H]1CCO[C@@H]1c1ccnn1-c1ccccc1 ZINC000583616596 422197504 /nfs/dbraw/zinc/19/75/04/422197504.db2.gz OTOYCXYOFQRDBR-RDJZCZTQSA-N 1 0 324.388 1.621 10 0 DDAERO CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@@H](c2cccc(N)n2)C1 ZINC000616611250 422517850 /nfs/dbraw/zinc/51/78/50/422517850.db2.gz BOCUQJSALGLVLA-GFCCVEGCSA-N 1 0 306.410 1.978 10 0 DDAERO C[C@H]1CN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CCS1 ZINC000637978272 422526398 /nfs/dbraw/zinc/52/63/98/422526398.db2.gz GKABLDJZANPCTC-DZGCQCFKSA-N 1 0 307.463 1.410 10 0 DDAERO CCOCC[N@@H+]1CCN(c2ccc(C(=O)N(C)C)cn2)C[C@@H]1C ZINC000174736074 263348387 /nfs/dbraw/zinc/34/83/87/263348387.db2.gz SUZAGSKBVWHDTH-AWEZNQCLSA-N 1 0 320.437 1.330 10 0 DDAERO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2nnc(C3CC3)n2C)CC1 ZINC000186372767 263398980 /nfs/dbraw/zinc/39/89/80/263398980.db2.gz NCQGQXQCPYBMDH-LLVKDONJSA-N 1 0 321.425 1.649 10 0 DDAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCC[C@H](c3nnc[nH]3)C2)C1 ZINC000341610343 271138626 /nfs/dbraw/zinc/13/86/26/271138626.db2.gz JVBOTSLVPNOMDD-YNEHKIRRSA-N 1 0 306.414 1.176 10 0 DDAERO C[C@@H]1CCN(c2ccc3nnc(C(F)(F)F)n3n2)[C@H](C[NH3+])C1 ZINC000262548633 274304728 /nfs/dbraw/zinc/30/47/28/274304728.db2.gz SAOXSKYGRJFVHA-BDAKNGLRSA-N 1 0 314.315 1.707 10 0 DDAERO C[C@H]1CCCN(c2nc3c(c(N4CC[NH2+]CC4)n2)CCC3)C1 ZINC000057328781 274555522 /nfs/dbraw/zinc/55/55/22/274555522.db2.gz FMUSZHWROJQFRZ-ZDUSSCGKSA-N 1 0 301.438 1.611 10 0 DDAERO CS(=O)(=O)N1CCC[C@H]([NH2+][C@H]2COc3ccccc3C2)C1 ZINC000328881550 278110483 /nfs/dbraw/zinc/11/04/83/278110483.db2.gz LGTZZSIGXLWRDH-UONOGXRCSA-N 1 0 310.419 1.004 10 0 DDAERO C[C@H](C(=O)Nc1ccccc1CN1CCOCC1)C1C[NH2+]C1 ZINC000262320572 278157432 /nfs/dbraw/zinc/15/74/32/278157432.db2.gz FCUOQNGVOFVKKX-ZDUSSCGKSA-N 1 0 303.406 1.313 10 0 DDAERO C[C@@H](C(=O)NCCc1csc(N2CCCC2)n1)C1C[NH2+]C1 ZINC000262027278 278207973 /nfs/dbraw/zinc/20/79/73/278207973.db2.gz BBEWIAGSWLKYQS-LLVKDONJSA-N 1 0 308.451 1.258 10 0 DDAERO CC1(C)CN(C(=O)c2ccc(N3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000262003203 278322606 /nfs/dbraw/zinc/32/26/06/278322606.db2.gz NOFMIYJMZPDYDR-INIZCTEOSA-N 1 0 317.433 1.723 10 0 DDAERO C[C@H]1CCN(C(=O)c2ccc(CS(C)(=O)=O)o2)[C@H](C[NH3+])C1 ZINC000261749935 278362588 /nfs/dbraw/zinc/36/25/88/278362588.db2.gz IXMCOIULAMNJIS-QWRGUYRKSA-N 1 0 314.407 1.024 10 0 DDAERO C[C@@H]1CN(c2ccccc2S(=O)(=O)C(F)F)CC[C@H]1[NH3+] ZINC000251926011 278806405 /nfs/dbraw/zinc/80/64/05/278806405.db2.gz YIUZLSZEMLZCAP-NXEZZACHSA-N 1 0 304.362 1.856 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000175065032 279311678 /nfs/dbraw/zinc/31/16/78/279311678.db2.gz PFCOJQUIYUMNFH-UONOGXRCSA-N 1 0 310.442 1.171 10 0 DDAERO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1CCCC[C@H]1CO ZINC000248514874 279363514 /nfs/dbraw/zinc/36/35/14/279363514.db2.gz NSTYAALJVFNWRW-YCPHGPKFSA-N 1 0 311.447 1.990 10 0 DDAERO O=C(N[C@@H]1CCOc2ccccc21)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333427674 279908744 /nfs/dbraw/zinc/90/87/44/279908744.db2.gz UDSVYDRRFDPSBK-VNHYZAJKSA-N 1 0 301.390 1.761 10 0 DDAERO CC(C)[C@@H]1N(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@@]12CCCO2 ZINC000333926101 280049359 /nfs/dbraw/zinc/04/93/59/280049359.db2.gz VDOQESZJAIGXOR-JLOCXQCDSA-N 1 0 321.465 1.974 10 0 DDAERO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000105933212 281051748 /nfs/dbraw/zinc/05/17/48/281051748.db2.gz NVFUNWBKPCWOGC-KGLIPLIRSA-N 1 0 321.421 1.333 10 0 DDAERO CC[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CCN1CCOC ZINC000247108745 281143825 /nfs/dbraw/zinc/14/38/25/281143825.db2.gz NBMLQPDPVXYVBZ-JKSUJKDBSA-N 1 0 311.470 1.430 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnc2n[nH]c(C)c2c1 ZINC000246889151 281199090 /nfs/dbraw/zinc/19/90/90/281199090.db2.gz GNYJHMWUFXTXHD-KBPBESRZSA-N 1 0 313.405 1.965 10 0 DDAERO CCOCCC1(C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)CCC1 ZINC000126798246 281252884 /nfs/dbraw/zinc/25/28/84/281252884.db2.gz DYOSRNHCVNAGJJ-LSDHHAIUSA-N 1 0 312.454 1.497 10 0 DDAERO CC[C@H]1CN(CCNC(=O)OC(C)(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000130195375 281370721 /nfs/dbraw/zinc/37/07/21/281370721.db2.gz LJQIPQZVENCDHT-KGLIPLIRSA-N 1 0 315.458 1.288 10 0 DDAERO Cc1cnn(CC[NH2+][C@H](C)CS(=O)(=O)c2ccccc2)c1 ZINC000120168552 281694071 /nfs/dbraw/zinc/69/40/71/281694071.db2.gz GKKGWUUYKIPBPM-CQSZACIVSA-N 1 0 307.419 1.644 10 0 DDAERO Cc1cncc(/C=C/C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1 ZINC000246709265 282008151 /nfs/dbraw/zinc/00/81/51/282008151.db2.gz UHGZWQXOJFFWJC-YJQVQVLHSA-N 1 0 303.406 1.317 10 0 DDAERO O[C@@H](COCc1ccccc1)C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246958584 282025803 /nfs/dbraw/zinc/02/58/03/282025803.db2.gz MVAPPYVBNIRKLF-ZACQAIPSSA-N 1 0 323.458 1.770 10 0 DDAERO Cc1ccccc1C1(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000116793184 302086964 /nfs/dbraw/zinc/08/69/64/302086964.db2.gz IWCVMHBBELHGQX-HNNXBMFYSA-N 1 0 302.418 1.816 10 0 DDAERO C[C@H]([NH2+]CCn1cncn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400771378 302370410 /nfs/dbraw/zinc/37/04/10/302370410.db2.gz NLRAJLFSOKWMGW-QWHCGFSZSA-N 1 0 309.414 1.513 10 0 DDAERO CCc1noc([C@H](C)[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)n1 ZINC000375438207 307226509 /nfs/dbraw/zinc/22/65/09/307226509.db2.gz NPDLARJXPCTASI-VPWBDBDCSA-N 1 0 309.410 1.945 10 0 DDAERO [NH3+][C@H](Cc1ccccc1)C(=O)NCc1cccnc1-n1cccn1 ZINC000195153214 325709077 /nfs/dbraw/zinc/70/90/77/325709077.db2.gz IRTOCSGBXWJLLA-MRXNPFEDSA-N 1 0 321.384 1.454 10 0 DDAERO CN(C(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@@H]1CCCN(c2cccnn2)C1 ZINC000167881188 484088834 /nfs/dbraw/zinc/08/88/34/484088834.db2.gz RIFGJKAUTZSHFK-MCIONIFRSA-N 1 0 303.410 1.031 10 0 DDAERO C[C@@H]1CCCN(c2cnn(C)c(=O)c2Br)[C@H]1C[NH3+] ZINC000253153437 484250099 /nfs/dbraw/zinc/25/00/99/484250099.db2.gz LBOZNURAXJBPDL-BDAKNGLRSA-N 1 0 315.215 1.106 10 0 DDAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCN(c2ccccc2O)CC1 ZINC000261651718 484253379 /nfs/dbraw/zinc/25/33/79/484253379.db2.gz DNYHBHONMYJWGQ-ZIAGYGMSSA-N 1 0 303.406 1.416 10 0 DDAERO O=C(CCc1ccc(-c2ccccc2)o1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262221975 484265936 /nfs/dbraw/zinc/26/59/36/484265936.db2.gz JNNXOBADSPSMLX-ZBFHGGJFSA-N 1 0 314.385 1.576 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000262386728 484270003 /nfs/dbraw/zinc/27/00/03/484270003.db2.gz XMKUYKGFZXODQU-MAUKXSAKSA-N 1 0 308.381 1.568 10 0 DDAERO Fc1ccc(-n2nccc2CN2CCO[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000299743649 534461109 /nfs/dbraw/zinc/46/11/09/534461109.db2.gz OGBFLTDZMFHSJC-CVEARBPZSA-N 1 0 302.353 1.184 10 0 DDAERO CC[C@@](C)(O)C[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000189247258 523660740 /nfs/dbraw/zinc/66/07/40/523660740.db2.gz NBWFWCPFLVCXGH-QZTJIDSGSA-N 1 0 306.450 1.716 10 0 DDAERO CCCCOC(=O)[C@H](C)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000119170364 696678155 /nfs/dbraw/zinc/67/81/55/696678155.db2.gz QIULIEMHAQWZBV-LSDHHAIUSA-N 1 0 300.443 1.761 10 0 DDAERO CCOC(=O)c1cn(CN(C)C[C@@H]2CCC[N@@H+]2CC)nc1C ZINC000177162855 697410110 /nfs/dbraw/zinc/41/01/10/697410110.db2.gz NKQFMANYZAWUCP-AWEZNQCLSA-N 1 0 308.426 1.742 10 0 DDAERO CCC[C@H](C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)[NH+](C)C ZINC000194781404 697721509 /nfs/dbraw/zinc/72/15/09/697721509.db2.gz MYDHGEWEILQJPF-NWDGAFQWSA-N 1 0 301.431 1.746 10 0 DDAERO CC(C)c1cc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)nc(N(C)C)n1 ZINC000222579062 697757453 /nfs/dbraw/zinc/75/74/53/697757453.db2.gz APWJLOLOIDQUGL-OAHLLOKOSA-N 1 0 317.437 1.490 10 0 DDAERO C/C=C(/C)C[N@@H+]1C[C@H](NS(=O)(=O)N(C)C)[C@@H](C(C)C)C1 ZINC000229939556 697780724 /nfs/dbraw/zinc/78/07/24/697780724.db2.gz XSBGSFLJLJALKZ-SADRXWBLSA-N 1 0 303.472 1.305 10 0 DDAERO CC[C@@H]1CN(Cc2ccc(OC(C)=O)cc2)CC[N@@H+]1C[C@H](C)O ZINC000246228854 698346040 /nfs/dbraw/zinc/34/60/40/698346040.db2.gz JLQRCHDMJXVIOJ-WMLDXEAASA-N 1 0 320.433 1.889 10 0 DDAERO CCCCC[C@H](C)NC(=O)CN1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246309522 698347705 /nfs/dbraw/zinc/34/77/05/698347705.db2.gz AGHYPNRUUOYZLJ-XHSDSOJGSA-N 1 0 313.486 1.458 10 0 DDAERO CCCCCCNC(=O)CN1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000247229966 698363467 /nfs/dbraw/zinc/36/34/67/698363467.db2.gz RFKXOKBBLCXXQI-HOTGVXAUSA-N 1 0 313.486 1.460 10 0 DDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000248848181 698382052 /nfs/dbraw/zinc/38/20/52/698382052.db2.gz IPRCDCGUWDSFIM-MELADBBJSA-N 1 0 309.454 1.528 10 0 DDAERO CCOCC[N@@H+]1CCN(c2cc(N)ccc2[N+](=O)[O-])C[C@H]1C ZINC000249459467 698392654 /nfs/dbraw/zinc/39/26/54/698392654.db2.gz YWEFHRIYTYAGGD-GFCCVEGCSA-N 1 0 308.382 1.724 10 0 DDAERO C[NH2+][C@@H](C)CNC(=O)CCn1cnc2sc(C)c(C)c2c1=O ZINC000261768187 698436764 /nfs/dbraw/zinc/43/67/64/698436764.db2.gz PAIHRIFWXUEZDY-VIFPVBQESA-N 1 0 322.434 1.189 10 0 DDAERO C[NH2+][C@H](C)CNC(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000261850327 698441306 /nfs/dbraw/zinc/44/13/06/698441306.db2.gz XGJYQUIZFDLXSV-LLVKDONJSA-N 1 0 306.362 1.145 10 0 DDAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C ZINC000261871995 698442417 /nfs/dbraw/zinc/44/24/17/698442417.db2.gz ZSEBSTTTYSROOW-MNOVXSKESA-N 1 0 301.456 1.048 10 0 DDAERO COc1ccc(OC)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)c1 ZINC000261911297 698444231 /nfs/dbraw/zinc/44/42/31/698444231.db2.gz JCBINLAWCYDZSG-BRWVUGGUSA-N 1 0 320.433 1.951 10 0 DDAERO C([NH2+][C@H]1CCC[C@H]1[C@@H]1COCCN1)[C@@H]1CSCCS1 ZINC000261991520 698449678 /nfs/dbraw/zinc/44/96/78/698449678.db2.gz SWAFXTHLFKVMSM-MQYQWHSLSA-N 1 0 302.509 1.582 10 0 DDAERO COC[C@H]([NH3+])C(=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000262273696 698462572 /nfs/dbraw/zinc/46/25/72/698462572.db2.gz KTWKBYYLLRJGCM-LBPRGKRZSA-N 1 0 303.189 1.852 10 0 DDAERO FC(F)(F)c1nnc2ccc(N3CC[C@@]4(CC[NH2+]C4)C3)nn21 ZINC000262428484 698469202 /nfs/dbraw/zinc/46/92/02/698469202.db2.gz FRAWZWMLXNOPNE-GFCCVEGCSA-N 1 0 312.299 1.333 10 0 DDAERO O=C(C[C@H]1COCC[NH2+]1)NCC1CCC(C(F)(F)F)CC1 ZINC000262489865 698471589 /nfs/dbraw/zinc/47/15/89/698471589.db2.gz HODPFPOEFNLPJM-MCIGGMRASA-N 1 0 308.344 1.850 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000262596371 698476014 /nfs/dbraw/zinc/47/60/14/698476014.db2.gz XCPINKXEEKMZTG-MRXNPFEDSA-N 1 0 318.417 1.866 10 0 DDAERO C[C@@H](C[NH2+][C@H]1CCCS(=O)(=O)C1)N(C)C(=O)OC(C)(C)C ZINC000309871464 698668108 /nfs/dbraw/zinc/66/81/08/698668108.db2.gz RGUIWNIPASTSAC-RYUDHWBXSA-N 1 0 320.455 1.409 10 0 DDAERO C[C@@H]1[C@H]([NH3+])CCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000312492345 698678082 /nfs/dbraw/zinc/67/80/82/698678082.db2.gz PMJFXFYJODWBQA-LDYMZIIASA-N 1 0 308.325 1.906 10 0 DDAERO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2[nH]ncc2C)cn1 ZINC000329528302 698753442 /nfs/dbraw/zinc/75/34/42/698753442.db2.gz SPATZZJGUFBLRH-DOMZBBRYSA-N 1 0 302.382 1.884 10 0 DDAERO CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702837972 699233580 /nfs/dbraw/zinc/23/35/80/699233580.db2.gz LNGFLHWRZFTFCQ-RNJOBUHISA-N 1 0 302.415 1.227 10 0 DDAERO Cc1nnc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n1C ZINC000713351414 699266225 /nfs/dbraw/zinc/26/62/25/699266225.db2.gz NQCZZRPBPXLHPO-DOMZBBRYSA-N 1 0 313.405 1.830 10 0 DDAERO C[C@@H]1C[NH2+]C[C@H](c2nc(CCn3cnc4ccccc43)no2)O1 ZINC000854135036 704359893 /nfs/dbraw/zinc/35/98/93/704359893.db2.gz RQAIXMFPQNXBJQ-BXUZGUMPSA-N 1 0 313.361 1.711 10 0 DDAERO CC(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)CC[C@@H]1C(F)(F)F ZINC000886065529 708691000 /nfs/dbraw/zinc/69/10/00/708691000.db2.gz JFDUUXFPCNORBS-CMPLNLGQSA-N 1 0 304.316 1.452 10 0 DDAERO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)Cc2nnnn2C2CC2)C1 ZINC000886082631 708695133 /nfs/dbraw/zinc/69/51/33/708695133.db2.gz ZURKONXFGFGRPO-KFWWJZLASA-N 1 0 320.441 1.082 10 0 DDAERO Cc1cccnc1-c1noc(CN2CCCC[C@@H]([NH3+])C2=O)n1 ZINC000888078383 709210246 /nfs/dbraw/zinc/21/02/46/709210246.db2.gz MTHACKKAKOKPJM-LLVKDONJSA-N 1 0 301.350 1.280 10 0 DDAERO O=C(N[C@@H]1CCO[C@H]1c1cc[nH]n1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000912836481 713103548 /nfs/dbraw/zinc/10/35/48/713103548.db2.gz WSVUCYYJNXQFBT-MYZSUADSSA-N 1 0 304.394 1.373 10 0 DDAERO CCc1nnc2n1C[C@H]([NH2+]Cc1cnc3onc(C)c3c1)CC2 ZINC000894217734 711021325 /nfs/dbraw/zinc/02/13/25/711021325.db2.gz AXMFEFMSGPXUNB-GFCCVEGCSA-N 1 0 312.377 1.790 10 0 DDAERO O=S(=O)(N1CCCC1)N1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000081767915 192321921 /nfs/dbraw/zinc/32/19/21/192321921.db2.gz ZRQDBFVATUUVGR-OAHLLOKOSA-N 1 0 315.483 1.571 10 0 DDAERO COc1ccc([C@H]([NH3+])CSCCS(C)(=O)=O)cc1OC ZINC000081769053 192322268 /nfs/dbraw/zinc/32/22/68/192322268.db2.gz RDPBQCRFGWULQB-LLVKDONJSA-N 1 0 319.448 1.481 10 0 DDAERO CCC[NH2+][C@@H]1CCC2(C[C@H]1SCC(=O)OC)OCCO2 ZINC000081792996 192323744 /nfs/dbraw/zinc/32/37/44/192323744.db2.gz QISLADPADDQIHX-VXGBXAGGSA-N 1 0 303.424 1.556 10 0 DDAERO CCOC(=O)[C@@H](C)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248663034 282097562 /nfs/dbraw/zinc/09/75/62/282097562.db2.gz ZDXUTGKGKITRRR-ZBFHGGJFSA-N 1 0 305.422 1.787 10 0 DDAERO Cc1nc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)sc1C ZINC000248682910 282099535 /nfs/dbraw/zinc/09/95/35/282099535.db2.gz QIGHDUOPGQNOJZ-SKDRFNHKSA-N 1 0 324.450 1.543 10 0 DDAERO C[NH2+][C@H]1c2ccccc2OC[C@H]1Sc1nnnn1C1CC1 ZINC000081867610 192332788 /nfs/dbraw/zinc/33/27/88/192332788.db2.gz BIQCLXATLLEWNZ-OLZOCXBDSA-N 1 0 303.391 1.822 10 0 DDAERO CCCn1c(=O)[nH]nc1S[C@H]1COc2ccccc2[C@H]1[NH3+] ZINC000081879168 192333247 /nfs/dbraw/zinc/33/32/47/192333247.db2.gz HUPAHKSFBFCARP-NWDGAFQWSA-N 1 0 306.391 1.535 10 0 DDAERO C[NH2+][C@@H]1c2ccccc2C[C@@H]1Sc1n[nH]c(=O)n1C1CC1 ZINC000081882132 192333889 /nfs/dbraw/zinc/33/38/89/192333889.db2.gz SQWVIAYXASZFBE-QWHCGFSZSA-N 1 0 302.403 1.884 10 0 DDAERO CC[NH2+][C@H](CSc1n[nH]c(=O)n1C)c1ccc(OC)cc1 ZINC000081882159 192334230 /nfs/dbraw/zinc/33/42/30/192334230.db2.gz WYCPGUNKGMRMQA-GFCCVEGCSA-N 1 0 308.407 1.560 10 0 DDAERO CCn1c(S[C@H](C)[C@H]([NH3+])c2ccc(OC)cc2)n[nH]c1=O ZINC000081879990 192334775 /nfs/dbraw/zinc/33/47/75/192334775.db2.gz PKFHMJPEQXRCND-SKDRFNHKSA-N 1 0 308.407 1.781 10 0 DDAERO C[C@H](CS(C)(=O)=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000081900587 192335759 /nfs/dbraw/zinc/33/57/59/192335759.db2.gz PGJVAQVPKMTSSB-GFCCVEGCSA-N 1 0 300.424 1.472 10 0 DDAERO CCCC[C@H](CC)COC[C@H](O)C[NH2+][C@@H](C)CS(C)(=O)=O ZINC000081903074 192336699 /nfs/dbraw/zinc/33/66/99/192336699.db2.gz CQUSDQULNIOKDN-SOUVJXGZSA-N 1 0 323.499 1.603 10 0 DDAERO [NH3+][C@H]1CCOC[C@@H]1S(=O)(=O)c1ccccc1Br ZINC000081931531 192341640 /nfs/dbraw/zinc/34/16/40/192341640.db2.gz NZTHBJYQUPUICR-ONGXEEELSA-N 1 0 320.208 1.339 10 0 DDAERO CNS(=O)(=O)c1ccccc1NC(=O)CC[C@H](C)CC[NH3+] ZINC000079189834 185161153 /nfs/dbraw/zinc/16/11/53/185161153.db2.gz LBPDRGJNTGGQLI-NSHDSACASA-N 1 0 313.423 1.298 10 0 DDAERO CCC[C@@H](CC[NH3+])CCC(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000079237428 185162130 /nfs/dbraw/zinc/16/21/30/185162130.db2.gz GKJDHBKCRADMAM-OCCSQVGLSA-N 1 0 304.456 1.225 10 0 DDAERO C[C@@]([NH3+])(CCCSc1ccc(Br)cn1)C(N)=O ZINC000079447615 185172002 /nfs/dbraw/zinc/17/20/02/185172002.db2.gz UYXLHIVADMDAAO-LLVKDONJSA-N 1 0 318.240 1.919 10 0 DDAERO NC(=O)[C@H](CSc1ccc(Br)cn1)[NH2+]C1CC1 ZINC000079447568 185172054 /nfs/dbraw/zinc/17/20/54/185172054.db2.gz DRVDYFFDIFMLOY-VIFPVBQESA-N 1 0 316.224 1.542 10 0 DDAERO C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1S(=O)(=O)CCOC ZINC000081944900 192345941 /nfs/dbraw/zinc/34/59/41/192345941.db2.gz GPUIHRQLOYNYHO-OAGGEKHMSA-N 1 0 311.447 1.972 10 0 DDAERO CC[NH2+][C@H](CS(=O)(=O)CCOC)c1ccc2c(c1)OCO2 ZINC000081944420 192346248 /nfs/dbraw/zinc/34/62/48/192346248.db2.gz MPJLMQSVCBFRTL-GFCCVEGCSA-N 1 0 315.391 1.127 10 0 DDAERO C[C@@H]1CC[N@H+](C[C@@H](O)COCc2ccccc2)[C@@H](C(N)=O)C1 ZINC000249569070 282174721 /nfs/dbraw/zinc/17/47/21/282174721.db2.gz NUNDMVJOSZYMRJ-FVQBIDKESA-N 1 0 306.406 1.150 10 0 DDAERO CC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000087386189 185223236 /nfs/dbraw/zinc/22/32/36/185223236.db2.gz FNSNPRIFTRPPTN-LBPRGKRZSA-N 1 0 300.424 1.798 10 0 DDAERO CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C[NH3+])C(C)C)c(F)c1 ZINC000087405009 185224042 /nfs/dbraw/zinc/22/40/42/185224042.db2.gz QNVGYXYTIOZETH-GFCCVEGCSA-N 1 0 317.386 1.046 10 0 DDAERO CC[C@@H](C[NH3+])C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000087532209 185227761 /nfs/dbraw/zinc/22/77/61/185227761.db2.gz YBWXDWYUDBEEPL-NSHDSACASA-N 1 0 313.423 1.169 10 0 DDAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000087521860 185227779 /nfs/dbraw/zinc/22/77/79/185227779.db2.gz NSPIEWRIAWKYBP-VIFPVBQESA-N 1 0 320.361 1.996 10 0 DDAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccc(NS(C)(=O)=O)c(C)c1 ZINC000087519984 185227787 /nfs/dbraw/zinc/22/77/87/185227787.db2.gz LUOBLLRHWKBFSE-NSHDSACASA-N 1 0 313.423 1.680 10 0 DDAERO CCOC(=O)CN(CCOC)C(=O)[C@H](C)CCC[C@@H](C)[NH3+] ZINC000087696285 185230744 /nfs/dbraw/zinc/23/07/44/185230744.db2.gz CJCBWKVFQVIRDG-CHWSQXEVSA-N 1 0 302.415 1.178 10 0 DDAERO COc1ccc(OC)c(CSc2nnc(C)n2CC[NH3+])c1 ZINC000087715326 185230862 /nfs/dbraw/zinc/23/08/62/185230862.db2.gz WEKQBEWCXKNKAB-UHFFFAOYSA-N 1 0 308.407 1.855 10 0 DDAERO COC(=O)c1cc(CSc2nnc(C)n2CC[NH3+])oc1C ZINC000087714832 185230924 /nfs/dbraw/zinc/23/09/24/185230924.db2.gz BLXMONSTTFAMNP-UHFFFAOYSA-N 1 0 310.379 1.526 10 0 DDAERO NNc1nc(NC[C@H]2CCC[C@@H]2O)c(Br)c[nH+]1 ZINC000087889974 185234854 /nfs/dbraw/zinc/23/48/54/185234854.db2.gz QFYKMTLRDAGSSM-SVRRBLITSA-N 1 0 302.176 1.098 10 0 DDAERO C[C@@H](C[NH3+])S(=O)(=O)Cc1ccc(F)c(Br)c1 ZINC000088068835 185238745 /nfs/dbraw/zinc/23/87/45/185238745.db2.gz UXPBGDUYSAXPEM-ZETCQYMHSA-N 1 0 310.188 1.850 10 0 DDAERO COc1ccc(Cn2cc(Br)cn2)cc1C(N)=[NH2+] ZINC000087828174 185232654 /nfs/dbraw/zinc/23/26/54/185232654.db2.gz HXCXYWBRVIXZAB-UHFFFAOYSA-N 1 0 309.167 1.987 10 0 DDAERO COc1ccc(CN2CCC[C@@H]2C[NH+](C)C)cc1C(N)=S ZINC000087832633 185232893 /nfs/dbraw/zinc/23/28/93/185232893.db2.gz KESBQTMSWRIERH-CYBMUJFWSA-N 1 0 307.463 1.855 10 0 DDAERO C[C@H](Nc1nc(NN)[nH+]cc1Br)[C@H]1CCCO1 ZINC000087853728 185233722 /nfs/dbraw/zinc/23/37/22/185233722.db2.gz VBRBLEWGNLUNHY-POYBYMJQSA-N 1 0 302.176 1.504 10 0 DDAERO CN1CCCC[C@@H]1CNc1nc(NN)[nH+]cc1Br ZINC000087867967 185234048 /nfs/dbraw/zinc/23/40/48/185234048.db2.gz NAJPMZAYKJFZJO-MRVPVSSYSA-N 1 0 315.219 1.421 10 0 DDAERO NNc1nc(NCCN2CCCC2)c(Br)c[nH+]1 ZINC000087869808 185234100 /nfs/dbraw/zinc/23/41/00/185234100.db2.gz DCAOJFYQVDRXAR-UHFFFAOYSA-N 1 0 301.192 1.032 10 0 DDAERO C[NH2+]Cc1nnnn1-c1c(F)cc(Br)cc1F ZINC000088172798 185241042 /nfs/dbraw/zinc/24/10/42/185241042.db2.gz QUAXXWIUZMGIDZ-UHFFFAOYSA-N 1 0 304.098 1.422 10 0 DDAERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCN(C)Cc1ccc(F)cc1 ZINC000173212249 539227500 /nfs/dbraw/zinc/22/75/00/539227500.db2.gz GULWSPSCDWNFAI-ZFWWWQNUSA-N 1 0 307.413 1.843 10 0 DDAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)COc3cccnc3)CC2)CCO1 ZINC000328911321 231384316 /nfs/dbraw/zinc/38/43/16/231384316.db2.gz OCKGQBVIMYBQME-CQSZACIVSA-N 1 0 319.405 1.172 10 0 DDAERO C[C@@H]([NH2+]CC(=O)N(C)CC1CC1)c1ccc2c(c1)OCCO2 ZINC000181726795 539238465 /nfs/dbraw/zinc/23/84/65/539238465.db2.gz ASXHGGDGJPSICP-GFCCVEGCSA-N 1 0 304.390 1.977 10 0 DDAERO CCc1ccc([C@H](COC)[NH2+]C[C@H](O)CN2CCCC2=O)o1 ZINC000184840914 539244937 /nfs/dbraw/zinc/24/49/37/539244937.db2.gz ZYBOAQQUXRRVNV-JSGCOSHPSA-N 1 0 310.394 1.102 10 0 DDAERO [NH3+]CC1(N2CCCCc3ccccc32)CCS(=O)(=O)CC1 ZINC000088333235 185246235 /nfs/dbraw/zinc/24/62/35/185246235.db2.gz TXAOVIAQWSWUEM-UHFFFAOYSA-N 1 0 308.447 1.735 10 0 DDAERO CCOC(=O)CS(=O)(=O)C[C@@H]([NH2+]C)c1ccc(C)c(C)c1 ZINC000081978012 192349113 /nfs/dbraw/zinc/34/91/13/192349113.db2.gz DGNNXSBGVRULSF-CQSZACIVSA-N 1 0 313.419 1.542 10 0 DDAERO CCOCC[N@@H+]1CCN(c2ncnc3onc(C)c32)C[C@@H]1CC ZINC000193394390 539261444 /nfs/dbraw/zinc/26/14/44/539261444.db2.gz KUVKWHZPSVGJPY-ZDUSSCGKSA-N 1 0 319.409 1.863 10 0 DDAERO Cc1nn(C)c2sc(C(=O)N(C)C3CC[NH2+]CC3)c(N)c12 ZINC000088641316 185260658 /nfs/dbraw/zinc/26/06/58/185260658.db2.gz TVNDQZKMXAJWJU-UHFFFAOYSA-N 1 0 307.423 1.349 10 0 DDAERO Cc1nn(C)c2sc(C(=O)NCC[NH+]3CCCC3)c(N)c12 ZINC000088643146 185261239 /nfs/dbraw/zinc/26/12/39/185261239.db2.gz QBVIWRAOUXXANL-UHFFFAOYSA-N 1 0 307.423 1.351 10 0 DDAERO CCCN(CC[NH+](C)C)S(=O)(=O)c1cc(CO)ccc1C ZINC000088895169 185270145 /nfs/dbraw/zinc/27/01/45/185270145.db2.gz RLUPBRBIAOILED-UHFFFAOYSA-N 1 0 314.451 1.450 10 0 DDAERO CCOc1ccc([C@@H]([NH3+])CS(=O)(=O)C2CCOCC2)cc1 ZINC000081990396 192350699 /nfs/dbraw/zinc/35/06/99/192350699.db2.gz MSZVFOMYDYXVTN-HNNXBMFYSA-N 1 0 313.419 1.679 10 0 DDAERO CC[NH2+][C@@H]1c2ccccc2C[C@@H]1S(=O)(=O)C1CCOCC1 ZINC000081990534 192350729 /nfs/dbraw/zinc/35/07/29/192350729.db2.gz RZSNICJVIHPTFG-JKSUJKDBSA-N 1 0 309.431 1.856 10 0 DDAERO CCCN(Cc1c(Br)c(C)nn1C)C1C[NH2+]C1 ZINC000090293636 185289879 /nfs/dbraw/zinc/28/98/79/185289879.db2.gz XIBQAWFEHUDRJC-UHFFFAOYSA-N 1 0 301.232 1.675 10 0 DDAERO O=C(c1ccccc1Br)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308714 185290370 /nfs/dbraw/zinc/29/03/70/185290370.db2.gz CULNPLOYZRAQKI-UHFFFAOYSA-N 1 0 324.222 1.179 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1ccc(C)s1 ZINC000090331655 185291283 /nfs/dbraw/zinc/29/12/83/185291283.db2.gz DIFOIJVWQIOADC-IJLUTSLNSA-N 1 0 300.449 1.675 10 0 DDAERO C[C@H](NC(=O)CN1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C)c1cccs1 ZINC000090338055 185291753 /nfs/dbraw/zinc/29/17/53/185291753.db2.gz IBAPYMNGZYURRC-AVGNSLFASA-N 1 0 307.463 1.855 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1C1=NS(=O)(=O)c2ccccc21 ZINC000090338863 185291830 /nfs/dbraw/zinc/29/18/30/185291830.db2.gz HSIMGTWMLLBZLQ-CMPLNLGQSA-N 1 0 305.403 1.065 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000090337095 185292016 /nfs/dbraw/zinc/29/20/16/185292016.db2.gz UIHRQWSKTZKRCW-KOLCDFICSA-N 1 0 316.373 1.583 10 0 DDAERO C[C@H]([NH3+])CCSCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000090346762 185292025 /nfs/dbraw/zinc/29/20/25/185292025.db2.gz ASIBCQJQXDCUQL-NSHDSACASA-N 1 0 302.465 1.907 10 0 DDAERO [NH3+][C@@H]1COC[C@@H]1C(=O)Nc1c(F)cc(F)cc1Br ZINC000090379219 185293623 /nfs/dbraw/zinc/29/36/23/185293623.db2.gz HGOBZUGPDCYZMU-IMTBSYHQSA-N 1 0 321.121 1.640 10 0 DDAERO CN(Cc1cc(Br)cs1)C(=O)[C@H]1COC[C@@H]1[NH3+] ZINC000090382481 185293792 /nfs/dbraw/zinc/29/37/92/185293792.db2.gz MRRYTKFTQVQKAK-UWVGGRQHSA-N 1 0 319.224 1.443 10 0 DDAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H]1COC[C@H]1[NH2+]C ZINC000090437823 185296520 /nfs/dbraw/zinc/29/65/20/185296520.db2.gz GJAGUEOWESQCED-GHMZBOCLSA-N 1 0 312.391 1.406 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ncccc1Br ZINC000090438450 185296610 /nfs/dbraw/zinc/29/66/10/185296610.db2.gz UYJAGNLABMYLOH-CBAPKCEASA-N 1 0 300.156 1.017 10 0 DDAERO CNC(=O)c1ccc(Cl)c(NC(=O)[C@]2(C)COC[C@@H]2[NH3+])c1 ZINC000090587799 185305320 /nfs/dbraw/zinc/30/53/20/185305320.db2.gz UJCYLCPSPZUDHQ-SMDDNHRTSA-N 1 0 311.769 1.002 10 0 DDAERO C[C@]1(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)COC[C@@H]1[NH3+] ZINC000090580669 185304837 /nfs/dbraw/zinc/30/48/37/185304837.db2.gz ZEZOWTPLJVJOJE-JQWIXIFHSA-N 1 0 300.261 1.310 10 0 DDAERO O=C(c1cnccn1)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000090700848 185310429 /nfs/dbraw/zinc/31/04/29/185310429.db2.gz JHGMNOKEEOEULE-ZDUSSCGKSA-N 1 0 306.435 1.520 10 0 DDAERO Cc1noc(C)c1[C@H](C)NS(=O)(=O)[C@@H](C)C[NH2+]C(C)C ZINC000092344104 185313154 /nfs/dbraw/zinc/31/31/54/185313154.db2.gz PXPKAULQTLMHHE-ONGXEEELSA-N 1 0 303.428 1.658 10 0 DDAERO CCC[C@@H](C(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1)[NH+](C)C ZINC000154752949 290678458 /nfs/dbraw/zinc/67/84/58/290678458.db2.gz RLLCVPINDIQKLF-HOTGVXAUSA-N 1 0 322.453 1.458 10 0 DDAERO [NH3+]C1CCN(CC(=O)N[C@H]2CCSc3ccccc32)CC1 ZINC000092713764 185336010 /nfs/dbraw/zinc/33/60/10/185336010.db2.gz YZGXFIPPUUXAGC-AWEZNQCLSA-N 1 0 305.447 1.763 10 0 DDAERO C[NH2+]CCCn1cc(S(=O)(=O)NC2C(C)(C)C2(C)C)cn1 ZINC000092833211 185344898 /nfs/dbraw/zinc/34/48/98/185344898.db2.gz JXIZHAQGKRPMKH-UHFFFAOYSA-N 1 0 314.455 1.206 10 0 DDAERO CCn1cnc(S(=O)(=O)N2CCCC[C@@H]2C[NH2+]C(C)C)c1 ZINC000092910944 185348682 /nfs/dbraw/zinc/34/86/82/185348682.db2.gz ATLXKXOIRUBCKM-CYBMUJFWSA-N 1 0 314.455 1.444 10 0 DDAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](Sc1nnnn1C1CC1)C2 ZINC000092860539 185347290 /nfs/dbraw/zinc/34/72/90/185347290.db2.gz HWKVUPZJJDAFPO-OLZOCXBDSA-N 1 0 303.391 1.733 10 0 DDAERO COc1ccc(Br)c(C[C@]2(CO)CC[NH2+]C2)c1 ZINC000097154411 185416718 /nfs/dbraw/zinc/41/67/18/185416718.db2.gz YOVIMCBHZUPXAS-CYBMUJFWSA-N 1 0 300.196 1.972 10 0 DDAERO COC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183099475 199536971 /nfs/dbraw/zinc/53/69/71/199536971.db2.gz DDIUMASTHRLDLG-RISCZKNCSA-N 1 0 306.362 1.569 10 0 DDAERO COc1cccc(CNC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)c1 ZINC000183134506 199543209 /nfs/dbraw/zinc/54/32/09/199543209.db2.gz NSPIOZBTMTUPDR-DVOMOZLQSA-N 1 0 306.406 1.857 10 0 DDAERO C[C@@H](CO)C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000109122998 185552297 /nfs/dbraw/zinc/55/22/97/185552297.db2.gz MUKAWMVLKUUJPP-ZJUUUORDSA-N 1 0 308.205 1.951 10 0 DDAERO CCNS(=O)(=O)c1ccc(N2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000111612669 185617346 /nfs/dbraw/zinc/61/73/46/185617346.db2.gz LXUQEBPJPGMJQD-GFCCVEGCSA-N 1 0 311.451 1.548 10 0 DDAERO C[NH2+][C@H](C)[C@H]1CCCCN1S(=O)(=O)c1cccc(F)c1 ZINC000111715162 185629730 /nfs/dbraw/zinc/62/97/30/185629730.db2.gz RQJUOYOWPBMFTM-BXUZGUMPSA-N 1 0 300.399 1.977 10 0 DDAERO Cn1cc(S(=O)(=O)N2CCCC[C@H]2C[NH2+]C(C)(C)C)cn1 ZINC000111721085 185631519 /nfs/dbraw/zinc/63/15/19/185631519.db2.gz NXYKQENDPYGFKD-LBPRGKRZSA-N 1 0 314.455 1.351 10 0 DDAERO C[C@H]1CN(S(=O)(=O)c2cccc(Br)c2)C[C@@H]1[NH3+] ZINC000235677535 201920620 /nfs/dbraw/zinc/92/06/20/201920620.db2.gz STXLAOFOARMRFV-KWQFWETISA-N 1 0 319.224 1.417 10 0 DDAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@@H]1c1cccnc1N ZINC000616636226 362764359 /nfs/dbraw/zinc/76/43/59/362764359.db2.gz MGPPCOBQHOFQFV-CYBMUJFWSA-N 1 0 321.425 1.135 10 0 DDAERO CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1C[NH2+]CCN1CCO ZINC000616635222 362764666 /nfs/dbraw/zinc/76/46/66/362764666.db2.gz AFKUHMQARVTRHO-HNNXBMFYSA-N 1 0 321.421 1.972 10 0 DDAERO CCCCOC[C@H](O)C[NH2+]CCn1cc(Br)cn1 ZINC000310986539 290803470 /nfs/dbraw/zinc/80/34/70/290803470.db2.gz HAFBRGLSKGRCCS-GFCCVEGCSA-N 1 0 320.231 1.413 10 0 DDAERO C[C@@H]1CCC[C@@H](C[NH3+])N1c1ccccc1S(=O)(=O)N(C)C ZINC000070157900 190864646 /nfs/dbraw/zinc/86/46/46/190864646.db2.gz PNRRQGYCPYVBSP-OLZOCXBDSA-N 1 0 311.451 1.643 10 0 DDAERO Cc1nc(S(=O)(=O)N(CCC[NH3+])c2ccccc2C)c[nH]1 ZINC000070418090 190887904 /nfs/dbraw/zinc/88/79/04/190887904.db2.gz FFGKCDZBTVEVMD-UHFFFAOYSA-N 1 0 308.407 1.571 10 0 DDAERO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cccc(F)c1N ZINC000070446213 190893744 /nfs/dbraw/zinc/89/37/44/190893744.db2.gz UPLYMFLBHAFDQB-SNVBAGLBSA-N 1 0 303.403 1.417 10 0 DDAERO [NH3+][C@@H](Cc1ccc(I)cc1)c1nnc[nH]1 ZINC000083850983 192386092 /nfs/dbraw/zinc/38/60/92/192386092.db2.gz YEWMYFKSYRENBS-VIFPVBQESA-N 1 0 314.130 1.652 10 0 DDAERO Cc1csc(CCCNC(=O)Cc2csc(CC[NH3+])n2)n1 ZINC000071696474 191008003 /nfs/dbraw/zinc/00/80/03/191008003.db2.gz ADJAJFYMYUPRBO-UHFFFAOYSA-N 1 0 324.475 1.701 10 0 DDAERO CC[C@@H](Oc1ccccc1F)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000175695188 186188922 /nfs/dbraw/zinc/18/89/22/186188922.db2.gz MQTNFELPPPCXGB-DZGCQCFKSA-N 1 0 324.396 1.772 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1ccc(F)cc1 ZINC000172166110 198050805 /nfs/dbraw/zinc/05/08/05/198050805.db2.gz YXOMFDFWBOTNNM-SWLSCSKDSA-N 1 0 319.380 1.251 10 0 DDAERO C[C@H](C(=O)NCc1ccccc1F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172210874 198058582 /nfs/dbraw/zinc/05/85/82/198058582.db2.gz RDFPUOVIHUMWEF-UKRRQHHQSA-N 1 0 305.397 1.610 10 0 DDAERO COc1ccnc(C[NH+]2CCC3(C[NH2+][C@H](C(=O)[O-])C3)CC2)c1 ZINC000072433471 191163952 /nfs/dbraw/zinc/16/39/52/191163952.db2.gz VABLKDFBFZHDBX-AWEZNQCLSA-N 1 0 305.378 1.119 10 0 DDAERO CO[C@H](C[NH3+])CN1CCN(c2ccccc2OC(C)C)CC1 ZINC000034559591 352292810 /nfs/dbraw/zinc/29/28/10/352292810.db2.gz NLAMYTBKTOBVAH-OAHLLOKOSA-N 1 0 307.438 1.570 10 0 DDAERO COC(=O)C[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1cccs1 ZINC000070575211 353180846 /nfs/dbraw/zinc/18/08/46/353180846.db2.gz MUIZXWYDDYFGOJ-SRVKXCTJSA-N 1 0 310.419 1.986 10 0 DDAERO C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(C)(C)C[NH+](C)C ZINC000085355199 353732853 /nfs/dbraw/zinc/73/28/53/353732853.db2.gz ULQWCLYAUIKOSZ-LLVKDONJSA-N 1 0 309.435 1.701 10 0 DDAERO Cc1ccc(C[C@H](C)NC(=O)C(C)(C)N2CC[NH2+]CC2)s1 ZINC000129763184 354085853 /nfs/dbraw/zinc/08/58/53/354085853.db2.gz OJUDYVSYRULVCV-LBPRGKRZSA-N 1 0 309.479 1.788 10 0 DDAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC000126278000 354053460 /nfs/dbraw/zinc/05/34/60/354053460.db2.gz OBBMYRSNBWMLEN-AWEZNQCLSA-N 1 0 303.406 1.384 10 0 DDAERO [NH3+]CC[C@@H](O)c1ncc(Br)cc1Br ZINC000130183384 354089625 /nfs/dbraw/zinc/08/96/25/354089625.db2.gz AJPAPDQDIYEAGE-SSDOTTSWSA-N 1 0 309.989 1.989 10 0 DDAERO CCC[NH2+]CCNC(=O)[C@@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000236784113 202005844 /nfs/dbraw/zinc/00/58/44/202005844.db2.gz YJKQKWIXBGYBDF-INIZCTEOSA-N 1 0 319.449 1.865 10 0 DDAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Cc2ccccc2F)CC1 ZINC000176860404 198629859 /nfs/dbraw/zinc/62/98/59/198629859.db2.gz FPRFGVROWXGJHA-CQSZACIVSA-N 1 0 322.424 1.919 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000248718522 354370500 /nfs/dbraw/zinc/37/05/00/354370500.db2.gz DAJMYSJRGGTUSG-ZYHUDNBSSA-N 1 0 324.812 1.518 10 0 DDAERO CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCCOC2)nn1 ZINC000328603107 354545559 /nfs/dbraw/zinc/54/55/59/354545559.db2.gz DTOJXNSRMUQTTD-HZSPNIEDSA-N 1 0 308.426 1.758 10 0 DDAERO Cc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)o1 ZINC000328641857 354557047 /nfs/dbraw/zinc/55/70/47/354557047.db2.gz YDBZGZXTNQQQQR-BLLLJJGKSA-N 1 0 302.378 1.631 10 0 DDAERO C[N@H+](CC1CC1)C[C@H]1CN(C(=O)c2ccc(F)cn2)CCO1 ZINC000328649791 354558958 /nfs/dbraw/zinc/55/89/58/354558958.db2.gz VCTKOJNADGJLLC-AWEZNQCLSA-N 1 0 307.369 1.404 10 0 DDAERO C[C@@H]1CC([NH2+]C[C@@H]2C[C@H](F)CN2c2cccnn2)C[C@@H](C)O1 ZINC000328651940 354559310 /nfs/dbraw/zinc/55/93/10/354559310.db2.gz WERPXPBQSVODAW-CXTNEJHOSA-N 1 0 308.401 1.939 10 0 DDAERO C[C@H]1Sc2ccc(CC(=O)NCCC[NH+](C)C)cc2NC1=O ZINC000074971780 191399508 /nfs/dbraw/zinc/39/95/08/191399508.db2.gz ZXRXEUKNTGLELK-LLVKDONJSA-N 1 0 321.446 1.730 10 0 DDAERO CC[C@@H](C)NC(=O)CCNC(=O)NC[C@H](C)[NH+](CC)CC ZINC000079599149 191954325 /nfs/dbraw/zinc/95/43/25/191954325.db2.gz XPKQMJYCBGIQGL-OLZOCXBDSA-N 1 0 300.447 1.321 10 0 DDAERO NC(=[NH2+])CCN(C1CC1)S(=O)(=O)c1cc(F)ccc1F ZINC000079800698 191974198 /nfs/dbraw/zinc/97/41/98/191974198.db2.gz RFWMBGNDRRKHSI-UHFFFAOYSA-N 1 0 303.334 1.444 10 0 DDAERO CC(C)(C)[C@@H]([NH3+])CCN1CCn2c(nnc2C(F)(F)F)C1 ZINC000081541281 192286204 /nfs/dbraw/zinc/28/62/04/192286204.db2.gz YYIMSBKXPBWOFZ-VIFPVBQESA-N 1 0 305.348 1.876 10 0 DDAERO CCC[C@H]([NH3+])C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)OC ZINC000236874208 202046468 /nfs/dbraw/zinc/04/64/68/202046468.db2.gz DNCFXQUXXBRLKH-GJZGRUSLSA-N 1 0 306.406 1.570 10 0 DDAERO CCN(CC(=O)NCc1ccc(F)cc1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000236895876 202058598 /nfs/dbraw/zinc/05/85/98/202058598.db2.gz WIKSNYQOKZQFGX-ZFWWWQNUSA-N 1 0 321.396 1.418 10 0 DDAERO CCC[C@H]([NH3+])C(=O)Nc1ccc(OCC(=O)OC)c(Cl)c1 ZINC000236937658 202079954 /nfs/dbraw/zinc/07/99/54/202079954.db2.gz UJCHQOCXVGZKBT-NSHDSACASA-N 1 0 314.769 1.958 10 0 DDAERO C[NH2+][C@H](CCO)CS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000085923698 192539442 /nfs/dbraw/zinc/53/94/42/192539442.db2.gz CQJRVHKMUQEZFS-SECBINFHSA-N 1 0 312.218 1.738 10 0 DDAERO C[C@@H]1C[NH2+]C2(CCCCC2)CN1C[C@@H]1CCS(=O)(=O)C1 ZINC000086261527 192557296 /nfs/dbraw/zinc/55/72/96/192557296.db2.gz KFHLKZFKPXRUCS-KGLIPLIRSA-N 1 0 300.468 1.418 10 0 DDAERO CCC[C@H]1C[NH2+][C@@H](C2CC2)CN1CCCS(=O)(=O)CC ZINC000086982698 192606281 /nfs/dbraw/zinc/60/62/81/192606281.db2.gz NCGJVNXPYZMIJX-LSDHHAIUSA-N 1 0 302.484 1.664 10 0 DDAERO CCN(C1CC1)S(=O)(=O)c1c(C)nn(CCC[NH3+])c1C ZINC000088940977 192663275 /nfs/dbraw/zinc/66/32/75/192663275.db2.gz APKBXVVOWDQEIN-UHFFFAOYSA-N 1 0 300.428 1.022 10 0 DDAERO CCOc1ccc(S(=O)(=O)N(C)CC(C)C)cc1C[NH3+] ZINC000088948523 192664256 /nfs/dbraw/zinc/66/42/56/192664256.db2.gz JNVAIKLMRBVSBV-UHFFFAOYSA-N 1 0 300.424 1.821 10 0 DDAERO Cc1ncc(CNS(=O)(=O)c2cc(C[NH3+])ccc2C)s1 ZINC000088999452 192690562 /nfs/dbraw/zinc/69/05/62/192690562.db2.gz SXCQWYCNJNGGPU-UHFFFAOYSA-N 1 0 311.432 1.697 10 0 DDAERO Cc1nc([C@@H](C)[NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)cs1 ZINC000347997487 283324045 /nfs/dbraw/zinc/32/40/45/283324045.db2.gz HLSMGPQWGSZIOE-ZYHUDNBSSA-N 1 0 317.480 1.774 10 0 DDAERO COc1c(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)c(C)nn1C ZINC000180128686 199119899 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ZINC000089091730 192724377 /nfs/dbraw/zinc/72/43/77/192724377.db2.gz CGOZUDLOISXTQC-CABZTGNLSA-N 1 0 318.826 1.754 10 0 DDAERO Cc1nn(C)c(C)c1S(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089132365 192731666 /nfs/dbraw/zinc/73/16/66/192731666.db2.gz HPHDKWGLXCKWKY-CHWSQXEVSA-N 1 0 314.455 1.175 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccsc2)CCO1 ZINC000187069844 200056744 /nfs/dbraw/zinc/05/67/44/200056744.db2.gz URZXMORZLAAICN-GFCCVEGCSA-N 1 0 320.418 1.541 10 0 DDAERO C[C@@]1(C(=O)Nc2ccc(N3CCNC3=O)cc2)CCC[NH2+]C1 ZINC000237623093 202307743 /nfs/dbraw/zinc/30/77/43/202307743.db2.gz ATFWPTNKBBRBOY-MRXNPFEDSA-N 1 0 302.378 1.544 10 0 DDAERO CCOCCN1CCN(C(=O)c2coc(C[NH3+])c2)C[C@@H]1CC ZINC000188188766 200206382 /nfs/dbraw/zinc/20/63/82/200206382.db2.gz HDUQOZMKMHUMJL-AWEZNQCLSA-N 1 0 309.410 1.311 10 0 DDAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCOCC(F)F ZINC000188736588 200296716 /nfs/dbraw/zinc/29/67/16/200296716.db2.gz JGNFZTICXNZRJU-CYBMUJFWSA-N 1 0 300.349 1.557 10 0 DDAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCCCc2nnc3n2CCCCC3)C1 ZINC000237939859 202398241 /nfs/dbraw/zinc/39/82/41/202398241.db2.gz XVGCZPDOINJOAY-CHWSQXEVSA-N 1 0 305.426 1.181 10 0 DDAERO C[C@@H](CNC(=O)c1cnn2ccncc12)C[NH+]1CCCCC1 ZINC000188697167 200290162 /nfs/dbraw/zinc/29/01/62/200290162.db2.gz NNPLXCOCSHBZTR-ZDUSSCGKSA-N 1 0 301.394 1.581 10 0 DDAERO C[C@@H](O)CN1CC[N@H+](CCCc2ccc3c(c2)CCO3)C[C@@H]1C ZINC000193247456 201012726 /nfs/dbraw/zinc/01/27/26/201012726.db2.gz QMIJOPPCYKKPPT-JKSUJKDBSA-N 1 0 318.461 1.941 10 0 DDAERO COc1cc(S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])ccc1F ZINC000193290716 201021158 /nfs/dbraw/zinc/02/11/58/201021158.db2.gz HMEZCPGEEHLIKC-SKDRFNHKSA-N 1 0 302.371 1.240 10 0 DDAERO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)Cc1cccc2cccnc21 ZINC000193458670 201056134 /nfs/dbraw/zinc/05/61/34/201056134.db2.gz VNARDECHSOHRCE-IUODEOHRSA-N 1 0 319.430 1.795 10 0 DDAERO Cc1cc(CNC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)on1 ZINC000194681130 201272783 /nfs/dbraw/zinc/27/27/83/201272783.db2.gz 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CC[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCSc1ncc(C)cn1 ZINC000093630156 193275998 /nfs/dbraw/zinc/27/59/98/193275998.db2.gz BNDGGVCBINUNOF-IUODEOHRSA-N 1 0 308.451 1.901 10 0 DDAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCSc1nncn1C ZINC000093629253 193276281 /nfs/dbraw/zinc/27/62/81/193276281.db2.gz RNEKRAOGOHEORV-RISCZKNCSA-N 1 0 311.455 1.321 10 0 DDAERO Cn1ccnc1SCC[C@@H]1CCC[C@@]1([NH2+]C1CC1)C(N)=O ZINC000093628642 193276843 /nfs/dbraw/zinc/27/68/43/193276843.db2.gz MFXIWYIAAMVGLO-NHYWBVRUSA-N 1 0 308.451 1.679 10 0 DDAERO CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCSc1ccncn1 ZINC000093631015 193277550 /nfs/dbraw/zinc/27/75/50/193277550.db2.gz YWARUKISPRTTOG-WFASDCNBSA-N 1 0 308.451 1.981 10 0 DDAERO CS(=O)(=O)N1CCC[C@@H](C[NH2+]CCOc2ccccc2)C1 ZINC000093696680 193291961 /nfs/dbraw/zinc/29/19/61/193291961.db2.gz OAIUDVTVMRFZCP-AWEZNQCLSA-N 1 0 312.435 1.327 10 0 DDAERO CS(=O)(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC000093696256 193292143 /nfs/dbraw/zinc/29/21/43/193292143.db2.gz QSDKMKBNCGEBTG-ZDUSSCGKSA-N 1 0 300.399 1.587 10 0 DDAERO CS(=O)(=O)N1CCC[C@H](C[NH2+]C[C@@H]2CCCC[C@@H]2CO)C1 ZINC000093697135 193292707 /nfs/dbraw/zinc/29/27/07/193292707.db2.gz GFXGECVVNLTHFL-QLFBSQMISA-N 1 0 318.483 1.046 10 0 DDAERO CC[NH+](CC)C(C)(C)C(=O)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093699512 193293441 /nfs/dbraw/zinc/29/34/41/193293441.db2.gz PZCDKDHBSUKXOR-CYBMUJFWSA-N 1 0 318.483 1.738 10 0 DDAERO CC[NH2+][C@@H](CSCC)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700426 193294074 /nfs/dbraw/zinc/29/40/74/193294074.db2.gz ZYXPBTDTMMXQAR-QWHCGFSZSA-N 1 0 308.513 1.779 10 0 DDAERO CCCCOCCO[C@H]1CCC[C@]([NH2+]C(C)C)(C(N)=O)C1 ZINC000093761711 193302057 /nfs/dbraw/zinc/30/20/57/193302057.db2.gz BECOJYPUEIISRL-GOEBONIOSA-N 1 0 300.443 1.984 10 0 DDAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@H](Sc2cc(C)nn2C)C1 ZINC000093779196 193306095 /nfs/dbraw/zinc/30/60/95/193306095.db2.gz BYDWYUJEAAVZBA-SWLSCSKDSA-N 1 0 310.467 1.987 10 0 DDAERO COC(C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)OC ZINC000094010205 193338191 /nfs/dbraw/zinc/33/81/91/193338191.db2.gz SUJCFFVQSUCSHX-UHFFFAOYSA-N 1 0 302.415 1.842 10 0 DDAERO CCCN[C@@]1(C(=O)OC)CC[C@H]([N@H+](CC)CCOCC)C1 ZINC000093830695 193314323 /nfs/dbraw/zinc/31/43/23/193314323.db2.gz KJFGHJCHDSQKST-HOCLYGCPSA-N 1 0 300.443 1.809 10 0 DDAERO C[NH2+][C@]1(CO)CC[C@H](n2nc(C)c(Br)c2C)C1 ZINC000093857652 193319349 /nfs/dbraw/zinc/31/93/49/193319349.db2.gz MEGOVCDHLJGDFM-CMPLNLGQSA-N 1 0 302.216 1.938 10 0 DDAERO CC[NH2+][C@@]1(CO)CC[C@@H](N2CCN(CC(F)(F)F)CC2)C1 ZINC000093855337 193320156 /nfs/dbraw/zinc/32/01/56/193320156.db2.gz YBNVYRITPHFVBZ-OLZOCXBDSA-N 1 0 309.376 1.059 10 0 DDAERO COC(=O)[C@]1([NH3+])CC[C@H](Sc2nnc(N(C)C)s2)C1 ZINC000093853724 193320309 /nfs/dbraw/zinc/32/03/09/193320309.db2.gz LAYWQKBXLIKQPO-CPCISQLKSA-N 1 0 302.425 1.119 10 0 DDAERO CCn1nc(C)c(Cl)c1C[C@H]([NH2+]C)[C@@H]1CN(C)CCN1C ZINC000093894751 193325541 /nfs/dbraw/zinc/32/55/41/193325541.db2.gz WDJWBTVTSRNJKZ-JSGCOSHPSA-N 1 0 313.877 1.241 10 0 DDAERO CCN(CC1CC[NH2+]CC1)S(=O)(=O)c1ccccc1OC ZINC000094023871 193339252 /nfs/dbraw/zinc/33/92/52/193339252.db2.gz XMKWIZUTQAENBZ-UHFFFAOYSA-N 1 0 312.435 1.705 10 0 DDAERO CC[NH2+][C@@H]1c2ccccc2CC[C@H]1N(C)CCS(C)(=O)=O ZINC000094298101 193357832 /nfs/dbraw/zinc/35/78/32/193357832.db2.gz SWFXXJANVZISIN-HZPDHXFCSA-N 1 0 310.463 1.628 10 0 DDAERO Cc1nnc(Sc2nc(C(F)(F)F)ccc2C(N)=[NH2+])n1C ZINC000094337112 193360918 /nfs/dbraw/zinc/36/09/18/193360918.db2.gz YMXCETGSMIAXIS-UHFFFAOYSA-N 1 0 316.312 1.973 10 0 DDAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(Br)cc1O ZINC000094345141 193362241 /nfs/dbraw/zinc/36/22/41/193362241.db2.gz MRFUPJUJZOMPES-LDYMZIIASA-N 1 0 313.195 1.883 10 0 DDAERO CS(=O)(=O)CCOc1c(F)cc(C[NH2+]C2CC2)cc1F ZINC000094347557 193363393 /nfs/dbraw/zinc/36/33/93/193363393.db2.gz WIPHFZIQAZXFKB-UHFFFAOYSA-N 1 0 305.346 1.640 10 0 DDAERO C[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(F)cn1 ZINC000094049948 193342015 /nfs/dbraw/zinc/34/20/15/193342015.db2.gz UHISMOGQBWGMDH-BXUZGUMPSA-N 1 0 315.414 1.543 10 0 DDAERO [NH3+][C@H]1COC[C@@H]1c1nc(-c2ncc(Cl)cc2Cl)no1 ZINC000094199206 193349015 /nfs/dbraw/zinc/34/90/15/193349015.db2.gz RIQMVZKOOYCQRD-XPUUQOCRSA-N 1 0 301.133 1.880 10 0 DDAERO Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CC[C@@H](C)[NH2+][C@@H]1C ZINC000094665808 193391050 /nfs/dbraw/zinc/39/10/50/193391050.db2.gz MFOBSUYBVRPYEQ-NQBHXWOUSA-N 1 0 300.399 1.941 10 0 DDAERO CCOC(=O)[C@@H]1CSCCN1C(=O)[C@@H](C[NH3+])CC(C)C ZINC000094698431 193391290 /nfs/dbraw/zinc/39/12/90/193391290.db2.gz SBGOJCMRQJRZHV-NEPJUHHUSA-N 1 0 302.440 1.115 10 0 DDAERO CN1C(=O)CC[C@@H]([NH2+][C@@H]2CCOC3(CCSCC3)C2)C1=O ZINC000094374651 193366818 /nfs/dbraw/zinc/36/68/18/193366818.db2.gz UIMHXVGIOSFPBW-VXGBXAGGSA-N 1 0 312.435 1.168 10 0 DDAERO O=S1(=O)CC[C@H](C[NH2+][C@@H]2CCOC3(CCSCC3)C2)C1 ZINC000094368780 193366823 /nfs/dbraw/zinc/36/68/23/193366823.db2.gz LRBZVTGCVYZWJH-CHWSQXEVSA-N 1 0 319.492 1.456 10 0 DDAERO CC[NH2+]CCn1nnnc1S[C@@H]1CCOC2(CCCC2)C1 ZINC000094414400 193368808 /nfs/dbraw/zinc/36/88/08/193368808.db2.gz NFXURGOLAGCMJL-GFCCVEGCSA-N 1 0 311.455 1.867 10 0 DDAERO CS(=O)(=O)CCCN1C[C@@H](C2CC2)[NH2+]Cc2ccccc21 ZINC000094421462 193369092 /nfs/dbraw/zinc/36/90/92/193369092.db2.gz YSNGXUKGGXYHBY-HNNXBMFYSA-N 1 0 308.447 1.810 10 0 DDAERO Cc1cccc(N)c1S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000094457211 193370911 /nfs/dbraw/zinc/37/09/11/193370911.db2.gz ZJPHNZHKJKWVEC-QWHCGFSZSA-N 1 0 309.435 1.434 10 0 DDAERO C[C@H]1C[C@@](C[NH3+])(N2CCn3c(nnc3C(F)(F)F)C2)CS1 ZINC000094473774 193372464 /nfs/dbraw/zinc/37/24/64/193372464.db2.gz GDELJLLWCPPQMZ-KWQFWETISA-N 1 0 321.372 1.335 10 0 DDAERO CN(C(=O)c1cccc(C(F)(F)F)c1F)[C@@H]1C[NH2+]C[C@H]1O ZINC000094599858 193383603 /nfs/dbraw/zinc/38/36/03/193383603.db2.gz GDUFWHFAQPWQRT-NXEZZACHSA-N 1 0 306.259 1.249 10 0 DDAERO Cc1nn(CC(=O)NCC[NH3+])c2nc(C)cc(C(F)(F)F)c12 ZINC000012397098 181757299 /nfs/dbraw/zinc/75/72/99/181757299.db2.gz HUGMMPUIKMPUQX-UHFFFAOYSA-N 1 0 315.299 1.142 10 0 DDAERO CC[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCSC1 ZINC000097309420 193706652 /nfs/dbraw/zinc/70/66/52/193706652.db2.gz WILBAFPGGBCAQF-BFHYXJOUSA-N 1 0 320.524 1.779 10 0 DDAERO CC(C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000016518537 182048056 /nfs/dbraw/zinc/04/80/56/182048056.db2.gz YLFOZQQSOLBZCN-MNOVXSKESA-N 1 0 313.423 1.295 10 0 DDAERO NC(=O)c1ccc(NS(=O)(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000021060616 182263808 /nfs/dbraw/zinc/26/38/08/182263808.db2.gz ICMUEUWIDZNMDY-UHFFFAOYSA-N 1 0 305.359 1.045 10 0 DDAERO CC[NH+]1CCN([C@@H](C)C(=O)Nc2ccc(N)cc2Cl)CC1 ZINC000021518712 182277717 /nfs/dbraw/zinc/27/77/17/182277717.db2.gz LSOLKWSPVRZLJU-NSHDSACASA-N 1 0 310.829 1.887 10 0 DDAERO COCCN1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000174953675 248387671 /nfs/dbraw/zinc/38/76/71/248387671.db2.gz CMWIBANGGBCFDX-HNNXBMFYSA-N 1 0 311.470 1.286 10 0 DDAERO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2cc3c(cc2Cl)NC(=O)C3)C1 ZINC000040633043 183112058 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CC(C)([NH3+])C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000040922277 183149026 /nfs/dbraw/zinc/14/90/26/183149026.db2.gz JAIGOQWCKABSDJ-UHFFFAOYSA-N 1 0 305.787 1.387 10 0 DDAERO O=C(NCc1cc(Br)ccc1F)[C@H]1CCC[NH2+]1 ZINC000041064978 183161386 /nfs/dbraw/zinc/16/13/86/183161386.db2.gz OHRYKSTYIJAHTA-LLVKDONJSA-N 1 0 301.159 1.956 10 0 DDAERO CC(C)COc1ccccc1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000040861593 183144181 /nfs/dbraw/zinc/14/41/81/183144181.db2.gz OSBKUSOAKHXILL-UHFFFAOYSA-N 1 0 313.423 1.283 10 0 DDAERO C[C@@H]([NH3+])c1cccc(NC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000041716929 183218554 /nfs/dbraw/zinc/21/85/54/183218554.db2.gz JNTAUCFCTFBENB-MFKMUULPSA-N 1 0 311.407 1.357 10 0 DDAERO C[C@@H]([NH3+])c1cccc(S(=O)(=O)N2C[C@@H](C)OC(C)(C)C2)c1 ZINC000041681724 183216040 /nfs/dbraw/zinc/21/60/40/183216040.db2.gz DJAHYZDRGMWCDA-VXGBXAGGSA-N 1 0 312.435 1.894 10 0 DDAERO CN(C)S(=O)(=O)c1ccc(NC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000042166644 183238442 /nfs/dbraw/zinc/23/84/42/183238442.db2.gz SFGXJSKTBOGRCW-GFCCVEGCSA-N 1 0 311.407 1.018 10 0 DDAERO C[C@H](COc1c(Br)cccc1C[C@H](C)[NH3+])C(N)=O ZINC000042412812 183266778 /nfs/dbraw/zinc/26/67/78/183266778.db2.gz HGIYQOCINYMFEK-BDAKNGLRSA-N 1 0 315.211 1.839 10 0 DDAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(C(N)=S)cc1F ZINC000042428945 183269486 /nfs/dbraw/zinc/26/94/86/183269486.db2.gz SMEVEDHUKIFCJH-BXKDBHETSA-N 1 0 309.410 1.546 10 0 DDAERO C[NH2+]Cc1ccc(Br)cc1N(CC(N)=O)C(C)C ZINC000042438439 183270021 /nfs/dbraw/zinc/27/00/21/183270021.db2.gz QJDSGAOMCPWKQU-UHFFFAOYSA-N 1 0 314.227 1.869 10 0 DDAERO C[C@@H]1c2ccsc2CCN1S(=O)(=O)N1CCC[NH2+]CC1 ZINC000042770915 183306689 /nfs/dbraw/zinc/30/66/89/183306689.db2.gz AGYNJMXISWEMFT-LLVKDONJSA-N 1 0 315.464 1.207 10 0 DDAERO C[C@H]1c2ccsc2CCN1S(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000042782424 183309200 /nfs/dbraw/zinc/30/92/00/183309200.db2.gz PTYMMBILSGGHNK-QWRGUYRKSA-N 1 0 300.449 1.749 10 0 DDAERO COc1ccccc1[C@@H]([C@H](C)[NH3+])N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043097727 183337968 /nfs/dbraw/zinc/33/79/68/183337968.db2.gz GPMAPWZWODCBNH-YWPYICTPSA-N 1 0 312.435 1.202 10 0 DDAERO Cn1cc([C@@H](C[NH3+])Sc2nnnn2-c2ccccc2)cn1 ZINC000043237643 183345498 /nfs/dbraw/zinc/34/54/98/183345498.db2.gz VZNFBDJREDWDQY-GFCCVEGCSA-N 1 0 301.379 1.188 10 0 DDAERO C[C@@H]([NH3+])[C@H](c1ccccc1Br)N1CCNC(=O)C1 ZINC000043090594 183335873 /nfs/dbraw/zinc/33/58/73/183335873.db2.gz LUXJSMMHGCVBSV-NOZJJQNGSA-N 1 0 312.211 1.269 10 0 DDAERO COCCNC(=O)COc1ccc(C[NH2+]C(C)C)cc1Cl ZINC000043479876 183365891 /nfs/dbraw/zinc/36/58/91/183365891.db2.gz TWCWYXABDZAFNZ-UHFFFAOYSA-N 1 0 314.813 1.979 10 0 DDAERO CN(CCC(N)=S)C(=O)CC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043425502 183361553 /nfs/dbraw/zinc/36/15/53/183361553.db2.gz MTKALUZKPAOKAB-QWHCGFSZSA-N 1 0 313.467 1.155 10 0 DDAERO Cc1nc(CN(C)S(=O)(=O)c2ccc(C[NH3+])cc2)cs1 ZINC000044610905 183427200 /nfs/dbraw/zinc/42/72/00/183427200.db2.gz RRRGYPJKVWRDNH-UHFFFAOYSA-N 1 0 311.432 1.731 10 0 DDAERO COc1ccc(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)c(OC)c1 ZINC000044492913 183414091 /nfs/dbraw/zinc/41/40/91/183414091.db2.gz QEYHDFKJZLFYHR-LLVKDONJSA-N 1 0 314.407 1.124 10 0 DDAERO CCN(CC)C(=O)CCCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105145508 194079185 /nfs/dbraw/zinc/07/91/85/194079185.db2.gz AFQAKVYMFXBTFF-OAHLLOKOSA-N 1 0 324.469 1.515 10 0 DDAERO COCC[N@@H+]1CCN(Cc2cc(C(=O)OC)c(C)o2)C[C@H]1C ZINC000105831796 194139449 /nfs/dbraw/zinc/13/94/49/194139449.db2.gz OLWBWLCRANDLDZ-GFCCVEGCSA-N 1 0 310.394 1.527 10 0 DDAERO CC(C)CNC(=O)C[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000105802691 194132431 /nfs/dbraw/zinc/13/24/31/194132431.db2.gz PDGNPHSOEGIKBK-AWEZNQCLSA-N 1 0 305.426 1.149 10 0 DDAERO CCOCC[N@@H+]1CCN(CC(=O)N2CCCCC2)C[C@@H]1CC ZINC000105837801 194144639 /nfs/dbraw/zinc/14/46/39/194144639.db2.gz PGEZHQWKIYLEON-INIZCTEOSA-N 1 0 311.470 1.432 10 0 DDAERO CC(C)COC[C@@H](O)C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105902052 194167269 /nfs/dbraw/zinc/16/72/69/194167269.db2.gz VFGWPQQGPCJVLU-HNNXBMFYSA-N 1 0 308.426 1.022 10 0 DDAERO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105926315 194170330 /nfs/dbraw/zinc/17/03/30/194170330.db2.gz PTFPHMMLXGEIIS-QKPAOTATSA-N 1 0 311.470 1.427 10 0 DDAERO CSc1cccc(NC(=O)[C@H](C)[NH2+]C[C@H]2CN(C)CCO2)c1 ZINC000105932832 194173676 /nfs/dbraw/zinc/17/36/76/194173676.db2.gz AMZDYPKNWWEVQW-JSGCOSHPSA-N 1 0 323.462 1.656 10 0 DDAERO CCN(C1(C[NH3+])CCCC1)S(=O)(=O)CCc1ccncc1 ZINC000050093185 183772418 /nfs/dbraw/zinc/77/24/18/183772418.db2.gz PZPYOUHJWSEORB-UHFFFAOYSA-N 1 0 311.451 1.547 10 0 DDAERO CC[C@@](C)(C[NH3+])N(C)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000050093441 183772434 /nfs/dbraw/zinc/77/24/34/183772434.db2.gz RFTDJSSXYIQJGK-AWEZNQCLSA-N 1 0 314.407 1.206 10 0 DDAERO NC(=S)C[NH+]1CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000109443016 194263396 /nfs/dbraw/zinc/26/33/96/194263396.db2.gz DAGQZKKPBKNTQI-UHFFFAOYSA-N 1 0 304.341 1.509 10 0 DDAERO CC(C)(C[NH3+])N1CCN(c2ncccc2C(F)(F)F)CC1 ZINC000109456771 194265118 /nfs/dbraw/zinc/26/51/18/194265118.db2.gz FXRIVDYJCZTKNB-UHFFFAOYSA-N 1 0 302.344 1.960 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN(C(=O)[C@@H]2CCCOC2)CC1 ZINC000109465019 194265817 /nfs/dbraw/zinc/26/58/17/194265817.db2.gz RTOSGVVNIVCYPM-CHWSQXEVSA-N 1 0 313.467 1.012 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN(Cc2cccc(OC)c2)CC1 ZINC000109469600 194266889 /nfs/dbraw/zinc/26/68/89/194266889.db2.gz MKOWPMWBXHTPGE-OAHLLOKOSA-N 1 0 307.463 1.878 10 0 DDAERO CC(C)C[NH2+]Cc1ccnc(N(C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000051447620 183827740 /nfs/dbraw/zinc/82/77/40/183827740.db2.gz DNKQDIKODJGUEF-CQSZACIVSA-N 1 0 311.451 1.451 10 0 DDAERO NC(=S)c1cccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000110272730 194319247 /nfs/dbraw/zinc/31/92/47/194319247.db2.gz ATHIFCWMQBAUTQ-CQSZACIVSA-N 1 0 303.431 1.631 10 0 DDAERO O=S(=O)(CC[C@@H]1CCCC[NH2+]1)Nc1nc2ccccc2[nH]1 ZINC000110538586 194338086 /nfs/dbraw/zinc/33/80/86/194338086.db2.gz QLLOUZJYGJXCMX-NSHDSACASA-N 1 0 308.407 1.837 10 0 DDAERO CC[C@H]1C(=O)NCCN1c1cc(Br)ccc1C[NH3+] ZINC000110682691 194349396 /nfs/dbraw/zinc/34/93/96/194349396.db2.gz XPCUDENLBCVPHM-NSHDSACASA-N 1 0 312.211 1.623 10 0 DDAERO COc1ccc(S(=O)(=O)NCC[NH2+]C(C)C)cc1Cl ZINC000054266774 183932587 /nfs/dbraw/zinc/93/25/87/183932587.db2.gz YPTKCRACTMWVAT-UHFFFAOYSA-N 1 0 306.815 1.625 10 0 DDAERO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1O ZINC000110795949 194359308 /nfs/dbraw/zinc/35/93/08/194359308.db2.gz LNFFZSFMEZMOIV-VIFPVBQESA-N 1 0 313.195 1.884 10 0 DDAERO Nc1cccc(Cl)c1-c1nnnn1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000111014434 194383121 /nfs/dbraw/zinc/38/31/21/194383121.db2.gz RSPCYKMQTRBXHH-SNVBAGLBSA-N 1 0 304.785 1.985 10 0 DDAERO Cc1sc2[nH]c(CN(C)[C@H]3CCC[NH2+]C3)nc(=O)c2c1C ZINC000110930199 194371482 /nfs/dbraw/zinc/37/14/82/194371482.db2.gz HLUBRTIOUYNRNL-NSHDSACASA-N 1 0 306.435 1.785 10 0 DDAERO CS(=O)(=O)CCSCCCOc1ccccc1C[NH3+] ZINC000111005476 194380823 /nfs/dbraw/zinc/38/08/23/194380823.db2.gz MBRUWIUCALQPNA-UHFFFAOYSA-N 1 0 303.449 1.692 10 0 DDAERO COc1cc(Br)ccc1C(=O)N[C@@H]1CC[N@H+](C)C1 ZINC000111159979 194397982 /nfs/dbraw/zinc/39/79/82/194397982.db2.gz JFFRCBFQCYTBFI-SNVBAGLBSA-N 1 0 313.195 1.892 10 0 DDAERO CN(C)C(=O)C1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000057942959 184063142 /nfs/dbraw/zinc/06/31/42/184063142.db2.gz MGEWODVXZHFYOU-QGZVFWFLSA-N 1 0 320.433 1.364 10 0 DDAERO COCCOCC[NH2+]Cc1ccc(O)c(Br)c1 ZINC000059181189 184135386 /nfs/dbraw/zinc/13/53/86/184135386.db2.gz AGGDPGDHUDQQMK-UHFFFAOYSA-N 1 0 304.184 1.907 10 0 DDAERO CNC(=O)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000059917581 184142528 /nfs/dbraw/zinc/14/25/28/184142528.db2.gz OBKNHNVZHOFIQL-QMMMGPOBSA-N 1 0 303.284 1.639 10 0 DDAERO O[C@H](COCc1ccccc1)C[NH+]1CCC2(CC1)OCCO2 ZINC000060856934 184156679 /nfs/dbraw/zinc/15/66/79/184156679.db2.gz DZKLGVHNSZTBLF-INIZCTEOSA-N 1 0 307.390 1.403 10 0 DDAERO CC[NH2+]C[C@@H](C)C(=O)N1CCN(Cc2csc(C)n2)CC1 ZINC000061237104 184166951 /nfs/dbraw/zinc/16/69/51/184166951.db2.gz SLXNOFDJGAIHGW-GFCCVEGCSA-N 1 0 310.467 1.341 10 0 DDAERO CC[NH2+][C@H](C)CC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000061273919 184167796 /nfs/dbraw/zinc/16/77/96/184167796.db2.gz ZFQGKLSALQAHOF-NEPJUHHUSA-N 1 0 312.435 1.655 10 0 DDAERO NC(=[NH2+])c1c(Cl)cccc1Sc1n[nH]c(=O)n1C1CC1 ZINC000061595643 184176631 /nfs/dbraw/zinc/17/66/31/184176631.db2.gz GNGMBAYKIVXIDD-UHFFFAOYSA-N 1 0 309.782 1.995 10 0 DDAERO NNc1ccc(Cl)c(CN2C(=O)c3ccccc3C2=O)[nH+]1 ZINC000061639218 184179918 /nfs/dbraw/zinc/17/99/18/184179918.db2.gz ITOGEGIITQRTDB-UHFFFAOYSA-N 1 0 302.721 1.817 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCCO[C@H](C)C2)cc1 ZINC000061936878 184196821 /nfs/dbraw/zinc/19/68/21/184196821.db2.gz OFCIZZHZBBZTKA-CYBMUJFWSA-N 1 0 312.435 1.596 10 0 DDAERO CCN[C@](C)(CCCC[N@@H+]1CCCOCC1)C(=O)OCC ZINC000061933706 184196922 /nfs/dbraw/zinc/19/69/22/184196922.db2.gz DSSWLSSBUGVJEQ-MRXNPFEDSA-N 1 0 300.443 1.810 10 0 DDAERO C[C@H]([NH3+])[C@H](c1ccncc1)N1CCN(CC(F)(F)F)CC1 ZINC000061940869 184197433 /nfs/dbraw/zinc/19/74/33/184197433.db2.gz VZIJNHDVTIICLV-WCQYABFASA-N 1 0 302.344 1.650 10 0 DDAERO CCc1nc(N(C)CCCOC)sc1C[NH2+]CCOC ZINC000062037834 184202673 /nfs/dbraw/zinc/20/26/73/184202673.db2.gz HVJDFEDAUQWQOU-UHFFFAOYSA-N 1 0 301.456 1.914 10 0 DDAERO C[C@H](Cc1ccc(F)cc1)NS(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000062037920 184203134 /nfs/dbraw/zinc/20/31/34/184203134.db2.gz CXYYNJPIWDABLP-DOMZBBRYSA-N 1 0 314.426 1.818 10 0 DDAERO CC[C@H]([C@@H]([NH3+])c1ccccc1)N1CCN(S(C)(=O)=O)CC1 ZINC000062083661 184205074 /nfs/dbraw/zinc/20/50/74/184205074.db2.gz JXGNBOHEXDMQCS-CABCVRRESA-N 1 0 311.451 1.042 10 0 DDAERO CCOC(=O)[C@@H](CC[NH+]1CCC(OCC)CC1)NC(C)C ZINC000062453347 184236913 /nfs/dbraw/zinc/23/69/13/184236913.db2.gz FHEGALLPBXKVMH-OAHLLOKOSA-N 1 0 300.443 1.807 10 0 DDAERO CN(Cc1nccn1C)c1ncc(Br)cc1C[NH3+] ZINC000062324732 184230654 /nfs/dbraw/zinc/23/06/54/184230654.db2.gz XFTZZLSPZKRYBO-UHFFFAOYSA-N 1 0 310.199 1.673 10 0 DDAERO Cc1ncc(C[C@@H](C[NH2+]C2CC2)[C@H]2CCS(=O)(=O)C2)s1 ZINC000062337389 184230988 /nfs/dbraw/zinc/23/09/88/184230988.db2.gz UMTZKBRCIITXFK-RYUDHWBXSA-N 1 0 314.476 1.797 10 0 DDAERO CC(C)(C)[NH2+]Cc1ccccc1O[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000062729267 184250662 /nfs/dbraw/zinc/25/06/62/184250662.db2.gz KMZYZDVEFSZPAB-JSGCOSHPSA-N 1 0 313.419 1.111 10 0 DDAERO CC(C)(C)[NH2+]Cc1cccc(O[C@H]2CS(=O)(=O)C[C@@H]2O)c1 ZINC000062731323 184251513 /nfs/dbraw/zinc/25/15/13/184251513.db2.gz XLWRJULMFRMCPQ-KBPBESRZSA-N 1 0 313.419 1.111 10 0 DDAERO CCNC(=O)COc1ccc(Cl)cc1C[NH2+]CCOC ZINC000062730995 184251573 /nfs/dbraw/zinc/25/15/73/184251573.db2.gz RVTFXUIDYUPAGO-UHFFFAOYSA-N 1 0 300.786 1.591 10 0 DDAERO CCC[NH2+][C@@H]1COc2cc(OCCS(=O)(=O)CC)ccc21 ZINC000062805103 184253386 /nfs/dbraw/zinc/25/33/86/184253386.db2.gz NGOZDRDNSUKZAW-CQSZACIVSA-N 1 0 313.419 1.933 10 0 DDAERO CCCCN(C(=O)C1(C)CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1 ZINC000062840542 184255489 /nfs/dbraw/zinc/25/54/89/184255489.db2.gz XUSDJLZXZRGNOF-ZDUSSCGKSA-N 1 0 316.467 1.192 10 0 DDAERO 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CC[NH+](CC)[C@@H]1CCN(C[C@@H](O)COCc2ccccc2)C1 ZINC000076057534 406952882 /nfs/dbraw/zinc/95/28/82/406952882.db2.gz SMOYPBWTWWWUOX-QZTJIDSGSA-N 1 0 306.450 1.980 10 0 DDAERO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000076107075 406956247 /nfs/dbraw/zinc/95/62/47/406956247.db2.gz XSSHSQYZIKNIAM-KBPBESRZSA-N 1 0 305.378 1.030 10 0 DDAERO CSC[C@@H](CCO)NC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000077776932 407008492 /nfs/dbraw/zinc/00/84/92/407008492.db2.gz PRVMTIGDPSRJHG-CHWSQXEVSA-N 1 0 305.488 1.376 10 0 DDAERO CCCC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COCc2ccco2)C1 ZINC000101733450 407315768 /nfs/dbraw/zinc/31/57/68/407315768.db2.gz MGZQZZFRDUZZAP-CABCVRRESA-N 1 0 324.421 1.538 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(CC2=Cc3ccccc3OC2)CC1 ZINC000123550969 407331957 /nfs/dbraw/zinc/33/19/57/407331957.db2.gz YZAUDJHUUVULNE-QGZVFWFLSA-N 1 0 302.418 1.851 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCCO[C@@H]1CCOC1 ZINC000126965157 407424700 /nfs/dbraw/zinc/42/47/00/407424700.db2.gz 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CO[C@H](CNC(=O)C1([NH3+])CCOCC1)c1ccc(Cl)cc1 ZINC000261832992 407631879 /nfs/dbraw/zinc/63/18/79/407631879.db2.gz LAKQSWQHZINTNO-CYBMUJFWSA-N 1 0 312.797 1.652 10 0 DDAERO COc1cc(C)c([C@H](C)NC(=O)C2([NH3+])CCOCC2)cc1OC ZINC000261851750 407641656 /nfs/dbraw/zinc/64/16/56/407641656.db2.gz MMNWPBQKFUEBMY-LBPRGKRZSA-N 1 0 322.405 1.697 10 0 DDAERO Cn1nc(CC(C)(C)C)cc1NC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261858675 407645252 /nfs/dbraw/zinc/64/52/52/407645252.db2.gz SAOBJGKUGMZCOO-AWEZNQCLSA-N 1 0 308.426 1.701 10 0 DDAERO [NH3+]CC1(C(=O)N(CCC(F)(F)F)CC2CC2)CCOCC1 ZINC000261864288 407647595 /nfs/dbraw/zinc/64/75/95/407647595.db2.gz CMMGIBMZVQGQQO-UHFFFAOYSA-N 1 0 308.344 1.933 10 0 DDAERO CN1CCO[C@H](CNC(=O)CSCC(=O)c2ccccc2)C1 ZINC000171287012 407649083 /nfs/dbraw/zinc/64/90/83/407649083.db2.gz ODMDMNXHBMYWIU-CQSZACIVSA-N 1 0 322.430 1.049 10 0 DDAERO Fc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000261936114 407677884 /nfs/dbraw/zinc/67/78/84/407677884.db2.gz 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CCOC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702839412 699233788 /nfs/dbraw/zinc/23/37/88/699233788.db2.gz OLUGBXMBRQKUPR-YNEHKIRRSA-N 1 0 302.415 1.229 10 0 DDAERO CCOC[C@H](C)[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702839405 699233963 /nfs/dbraw/zinc/23/39/63/699233963.db2.gz OLUGBXMBRQKUPR-RWMBFGLXSA-N 1 0 302.415 1.229 10 0 DDAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2O)C1 ZINC000706777884 699244324 /nfs/dbraw/zinc/24/43/24/699244324.db2.gz REKDIYWCKSVVLP-MCIONIFRSA-N 1 0 314.426 1.373 10 0 DDAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]CC[C@]2(O)CCOC2)C1 ZINC000711457180 699258350 /nfs/dbraw/zinc/25/83/50/699258350.db2.gz BOPPPEMDQFBSNV-ZUEPYMLJSA-N 1 0 314.426 1.421 10 0 DDAERO O=C(CC(F)(F)C(F)(F)F)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000713191932 699265239 /nfs/dbraw/zinc/26/52/39/699265239.db2.gz CFPUWYKCMKSDLY-YUMQZZPRSA-N 1 0 302.243 1.163 10 0 DDAERO [NH3+]C[C@@H]1C[C@@H](C(=O)Nc2ccc(Br)cc2F)CO1 ZINC000713823832 699267398 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CC[C@@H](CCO)CNc1nc(NN)[nH+]cc1Br ZINC000087895971 185235768 /nfs/dbraw/zinc/23/57/68/185235768.db2.gz JCVYHVZWPRUJHZ-ZETCQYMHSA-N 1 0 304.192 1.345 10 0 DDAERO CC1(C)C[NH2+]CCN1CC(=O)NC(=O)c1ccc(Cl)cc1 ZINC000088147028 185240672 /nfs/dbraw/zinc/24/06/72/185240672.db2.gz VLCOWHDTEUCIHL-UHFFFAOYSA-N 1 0 309.797 1.280 10 0 DDAERO CCc1cc(NC2CC[NH+](C[C@@H](O)COC)CC2)nc(C)n1 ZINC000302067278 529554244 /nfs/dbraw/zinc/55/42/44/529554244.db2.gz DAZZVWFQJJRFRO-OAHLLOKOSA-N 1 0 308.426 1.231 10 0 DDAERO Cc1nn(C)c(C[S@@](=O)C[C@H](C)C[NH3+])c1Br ZINC000088089963 185239611 /nfs/dbraw/zinc/23/96/11/185239611.db2.gz SRXBSWDJJXATJM-VGDKGRGNSA-N 1 0 308.245 1.335 10 0 DDAERO O=S1(=O)CC[C@H]([NH2+]CCN2CCCCc3ccccc32)C1 ZINC000088336396 185246222 /nfs/dbraw/zinc/24/62/22/185246222.db2.gz QREMJOKGJQXYNG-HNNXBMFYSA-N 1 0 308.447 1.606 10 0 DDAERO CN(CCC(F)(F)F)S(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000088431648 185249644 /nfs/dbraw/zinc/24/96/44/185249644.db2.gz REWZOAWSEWAYEM-SNVBAGLBSA-N 1 0 302.362 1.733 10 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10 0 DDAERO C[C@H](c1cc(Cl)ccc1Cl)N1CC[NH2+]C[C@@H]1C(N)=O ZINC000088659481 185261827 /nfs/dbraw/zinc/26/18/27/185261827.db2.gz DQPUFZDBYWCJHT-PRHODGIISA-N 1 0 302.205 1.814 10 0 DDAERO COc1ccc(C[C@@H](C)[NH2+][C@@H]2C=CS(=O)(=O)C2)cc1OC ZINC000088853987 185267311 /nfs/dbraw/zinc/26/73/11/185267311.db2.gz ZAODRNBWVBUNKJ-DGCLKSJQSA-N 1 0 311.403 1.535 10 0 DDAERO Cc1sc(CO)cc1S(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000088876112 185267903 /nfs/dbraw/zinc/26/79/03/185267903.db2.gz RKRLMMBUCWJPPP-UHFFFAOYSA-N 1 0 318.464 1.264 10 0 DDAERO CC[NH2+][C@H]1c2ccccc2C[C@H]1S(=O)(=O)C1CCOCC1 ZINC000081990545 192350847 /nfs/dbraw/zinc/35/08/47/192350847.db2.gz RZSNICJVIHPTFG-CVEARBPZSA-N 1 0 309.431 1.856 10 0 DDAERO C[NH2+][C@H]1CCC[C@H]1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000081990683 192351086 /nfs/dbraw/zinc/35/10/86/192351086.db2.gz HQHVAYHOONOARP-QWHCGFSZSA-N 1 0 317.432 1.004 10 0 DDAERO [NH3+][C@H]1CCC2(C[C@@H]1S(=O)(=O)CC1CCCC1)OCCO2 ZINC000081991465 192351702 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CC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000090488433 185298784 /nfs/dbraw/zinc/29/87/84/185298784.db2.gz HSHKUYPXNMQAHV-NEPJUHHUSA-N 1 0 300.305 1.851 10 0 DDAERO COc1cc(OC)c(NC(=O)[C@H]2COC[C@@H]2[NH3+])cc1Cl ZINC000090378669 185293807 /nfs/dbraw/zinc/29/38/07/185293807.db2.gz UJGICPBBRDYRLI-CBAPKCEASA-N 1 0 300.742 1.269 10 0 DDAERO [NH3+][C@H]1COC[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000090383918 185293835 /nfs/dbraw/zinc/29/38/35/185293835.db2.gz UWUGIAJIFGNKAU-MNOVXSKESA-N 1 0 304.268 1.175 10 0 DDAERO C[C@]1(C(=O)NCc2ccc(Br)cc2)COC[C@H]1[NH3+] ZINC000090581369 185304949 /nfs/dbraw/zinc/30/49/49/185304949.db2.gz ZMQUFMJDIJDQAF-YPMHNXCESA-N 1 0 313.195 1.429 10 0 DDAERO C[C@]1(CN2CCN(c3ccccc3Cl)CC2)COC[C@@H]1[NH3+] ZINC000090606495 185306501 /nfs/dbraw/zinc/30/65/01/185306501.db2.gz YIGYIJOAGXJNKY-HOTGVXAUSA-N 1 0 309.841 1.826 10 0 DDAERO CCN1CCO[C@H](C[NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000303490455 539289047 /nfs/dbraw/zinc/28/90/47/539289047.db2.gz 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CCOc1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@@H]2CCCO2)cc1 ZINC000183147808 199546269 /nfs/dbraw/zinc/54/62/69/199546269.db2.gz NFHUHOWWXXKDHU-VBQJREDUSA-N 1 0 309.406 1.982 10 0 DDAERO NC(=O)c1ccccc1NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243295 185562421 /nfs/dbraw/zinc/56/24/21/185562421.db2.gz OVOWARGGUZXQIZ-LBPRGKRZSA-N 1 0 301.268 1.266 10 0 DDAERO COc1cc(C)ccc1[C@H](C)[NH2+]CC(C)(C)NS(C)(=O)=O ZINC000111772370 185634937 /nfs/dbraw/zinc/63/49/37/185634937.db2.gz ZHYIFZIUWISNGH-LBPRGKRZSA-N 1 0 314.451 1.982 10 0 DDAERO CCC[C@@H](C(=O)NC1CCN(C(=O)CC(C)C)CC1)[NH+](C)C ZINC000161791055 290789472 /nfs/dbraw/zinc/78/94/72/290789472.db2.gz JOZBGILICBFGIQ-HNNXBMFYSA-N 1 0 311.470 1.870 10 0 DDAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@H]1c1cccc(N)n1 ZINC000616635252 362764845 /nfs/dbraw/zinc/76/48/45/362764845.db2.gz BABJLXZGSOPBIM-ZDUSSCGKSA-N 1 0 321.425 1.135 10 0 DDAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000616635777 362765175 /nfs/dbraw/zinc/76/51/75/362765175.db2.gz 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ITPLMZMYRWWYSM-NEPJUHHUSA-N 1 0 304.159 1.828 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(C[C@H](O)c2c(F)cccc2F)CC1 ZINC000174086030 198288745 /nfs/dbraw/zinc/28/87/45/198288745.db2.gz YCBJNJWBRIXPHH-WFASDCNBSA-N 1 0 314.376 1.387 10 0 DDAERO C[C@@H](O)CN1CCN(C(=O)c2cc(F)c(F)c(F)c2)C[C@@H]1C ZINC000174346756 198322589 /nfs/dbraw/zinc/32/25/89/198322589.db2.gz DIKKSVIPEXGBID-VHSXEESVSA-N 1 0 316.323 1.631 10 0 DDAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000174480375 198339470 /nfs/dbraw/zinc/33/94/70/198339470.db2.gz QXHNSKJUIAMLCO-ZWKOTPCHSA-N 1 0 317.477 1.960 10 0 DDAERO Cc1ccccc1NC(=O)CCN1CCO[C@H](C[NH+](C)C)C1 ZINC000174786121 198385848 /nfs/dbraw/zinc/38/58/48/198385848.db2.gz YUVCANMHQUQZBN-OAHLLOKOSA-N 1 0 305.422 1.586 10 0 DDAERO NC1=[NH+]C[C@H](c2ncc(Br)cc2Br)N1 ZINC000130230953 354090792 /nfs/dbraw/zinc/09/07/92/354090792.db2.gz KKXGJIRBSYTLDY-ZCFIWIBFSA-N 1 0 319.988 1.566 10 0 DDAERO CCC[NH2+]CCNC(=O)[C@H](NC(=O)c1ccccc1)[C@H](C)CC ZINC000236801006 202015958 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CCOC(=O)CN(CCOC)C(=O)CC[C@H](CC)CC[NH3+] ZINC000079210373 191940661 /nfs/dbraw/zinc/94/06/61/191940661.db2.gz DUKLQPXMJLIEBN-ZDUSSCGKSA-N 1 0 302.415 1.180 10 0 DDAERO CCCn1cc(S(=O)(=O)NC2(C(N)=[NH2+])CCCC2)nc1C ZINC000079782526 191971891 /nfs/dbraw/zinc/97/18/91/191971891.db2.gz QXDOAPJPGBSTPB-UHFFFAOYSA-N 1 0 313.427 1.129 10 0 DDAERO CCC[C@@H](C(N)=[NH2+])N1CCN(S(=O)(=O)CC(C)(C)C)CC1 ZINC000080194375 192011074 /nfs/dbraw/zinc/01/10/74/192011074.db2.gz RNNYPSYQWPGLPX-LBPRGKRZSA-N 1 0 318.487 1.085 10 0 DDAERO C[C@@H](O)[C@@H]([NH3+])CNC(=O)c1ccc(Br)c(F)c1 ZINC000080697824 192183651 /nfs/dbraw/zinc/18/36/51/192183651.db2.gz AHQIZIZNGHJSFQ-LDWIPMOCSA-N 1 0 305.147 1.026 10 0 DDAERO Cc1c(C)c(C)c(S(=O)(=O)NC[C@@H]([NH3+])[C@H](C)O)c(C)c1C ZINC000080738420 192187249 /nfs/dbraw/zinc/18/72/49/192187249.db2.gz TWEKXABJMZWOJX-UONOGXRCSA-N 1 0 314.451 1.215 10 0 DDAERO COCCN(C(=O)[C@@]1([NH3+])CCC[C@@H](C)C1)[C@@H]1CCSC1 ZINC000080920862 192200421 /nfs/dbraw/zinc/20/04/21/192200421.db2.gz IHBGLFNVBRMYMX-UMVBOHGHSA-N 1 0 300.468 1.875 10 0 DDAERO CCOC(=O)[C@@H]1CSCCN1C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085367648 192497568 /nfs/dbraw/zinc/49/75/68/192497568.db2.gz HGNRNZZIOSQWGW-WOPDTQHZSA-N 1 0 300.424 1.011 10 0 DDAERO COC[C@H]1CC[N@H+](CC(=O)Nc2ccccc2C(N)=S)C1 ZINC000081065051 192222882 /nfs/dbraw/zinc/22/28/82/192222882.db2.gz DYGNOHGJVUPOGB-NSHDSACASA-N 1 0 307.419 1.228 10 0 DDAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1cncc(Br)c1 ZINC000624239384 366254810 /nfs/dbraw/zinc/25/48/10/366254810.db2.gz JZYKOFRMEKXCCB-KPXOXKRLSA-N 1 0 301.184 1.645 10 0 DDAERO [NH3+]Cc1nc(CN2CCn3c(nnc3C(F)(F)F)C2)cs1 ZINC000081542715 192287322 /nfs/dbraw/zinc/28/73/22/192287322.db2.gz HUDNFNYZAKVGMZ-UHFFFAOYSA-N 1 0 318.328 1.228 10 0 DDAERO C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N[C@@H](C)CCOC)c1 ZINC000081717812 192316628 /nfs/dbraw/zinc/31/66/28/192316628.db2.gz PVCAAQAOWLVLDW-RYUDHWBXSA-N 1 0 300.424 1.670 10 0 DDAERO Ic1cncnc1NC[C@H]1CCC[NH2+]C1 ZINC000085466500 192509038 /nfs/dbraw/zinc/50/90/38/192509038.db2.gz UIENYIUSYYSFAI-QMMMGPOBSA-N 1 0 318.162 1.493 10 0 DDAERO Ic1cncnc1NCCC[NH2+]C1CC1 ZINC000085466412 192509457 /nfs/dbraw/zinc/50/94/57/192509457.db2.gz DVDIJVNAJSIVCJ-UHFFFAOYSA-N 1 0 318.162 1.635 10 0 DDAERO CCN(CC(=O)NCc1ccc(F)cc1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000236895846 202058830 /nfs/dbraw/zinc/05/88/30/202058830.db2.gz WIKSNYQOKZQFGX-DZGCQCFKSA-N 1 0 321.396 1.418 10 0 DDAERO CC[C@@H](C)[C@H]1CN(C[C@@H]2CCS(=O)(=O)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086174427 192552371 /nfs/dbraw/zinc/55/23/71/192552371.db2.gz JJOUUSVXKPFLMT-QXSJWSMHSA-N 1 0 316.511 1.766 10 0 DDAERO CCOc1ccc(C(=O)N[C@H](C(=O)NCC[NH2+]C)C(C)C)cc1 ZINC000237081496 202147147 /nfs/dbraw/zinc/14/71/47/202147147.db2.gz OTHQPULMOCRUFX-HNNXBMFYSA-N 1 0 321.421 1.175 10 0 DDAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)N[C@@H](COC)C(C)C)cc1 ZINC000086703461 192594612 /nfs/dbraw/zinc/59/46/12/192594612.db2.gz MBSMTIZWLYHCPH-DOMZBBRYSA-N 1 0 314.451 1.916 10 0 DDAERO CCn1c2ccccc2n(CC(=O)N2CCCC[C@H]2C[NH3+])c1=O ZINC000237190718 202182088 /nfs/dbraw/zinc/18/20/88/202182088.db2.gz JKJHBKHFVSPVIO-ZDUSSCGKSA-N 1 0 316.405 1.163 10 0 DDAERO CCC[NH2+]CCc1c(C)nn(CCCS(=O)(=O)CC)c1C ZINC000086981606 192604966 /nfs/dbraw/zinc/60/49/66/192604966.db2.gz IEZIRSBZKCTSGK-UHFFFAOYSA-N 1 0 315.483 1.867 10 0 DDAERO CC[C@@H](C)N(CC)S(=O)(=O)c1c(C)nn(CC[NH2+]C)c1C ZINC000088950551 192665794 /nfs/dbraw/zinc/66/57/94/192665794.db2.gz YZJVNCOZFIIGCC-LLVKDONJSA-N 1 0 316.471 1.528 10 0 DDAERO CC[C@H]1CN(Cc2ccc3c[nH]nc3c2)CC[N@@H+]1C[C@@H](C)O ZINC000179507905 199047737 /nfs/dbraw/zinc/04/77/37/199047737.db2.gz CEKIJNOQJVKGKN-CJNGLKHVSA-N 1 0 302.422 1.840 10 0 DDAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cnn(Cc2ccccc2)c1 ZINC000180486396 199165172 /nfs/dbraw/zinc/16/51/72/199165172.db2.gz GZYDKWCANSKRNG-CRAIPNDOSA-N 1 0 314.433 1.913 10 0 DDAERO Cc1cccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1F ZINC000180711288 199199999 /nfs/dbraw/zinc/19/99/99/199199999.db2.gz 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O=C(C[C@H]1COCC[NH2+]1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000262557106 203328265 /nfs/dbraw/zinc/32/82/65/203328265.db2.gz PSUBKCRZHWDSQQ-STQMWFEESA-N 1 0 316.323 1.655 10 0 DDAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([NH2+]C[C@@H]2COCCO2)C1 ZINC000093207881 193216457 /nfs/dbraw/zinc/21/64/57/193216457.db2.gz ARLNIKISWITMRY-YNEHKIRRSA-N 1 0 300.399 1.437 10 0 DDAERO COc1cc(Br)c([C@H]2CNC(=[NH2+])N2)cc1OC ZINC000093357382 193237282 /nfs/dbraw/zinc/23/72/82/193237282.db2.gz NQASWDPVANLOSC-MRVPVSSYSA-N 1 0 300.156 1.425 10 0 DDAERO CN(CCc1cccs1)S(=O)(=O)c1cc[nH+]c(NN)c1 ZINC000093292118 193225476 /nfs/dbraw/zinc/22/54/76/193225476.db2.gz CRJDCRKINUAOFX-UHFFFAOYSA-N 1 0 312.420 1.292 10 0 DDAERO C[C@@H](C[C@@H]1CCCC[NH2+]1)NCc1cccc(S(N)(=O)=O)c1 ZINC000093486040 193258063 /nfs/dbraw/zinc/25/80/63/193258063.db2.gz VLQKHKTUMSTFHL-JSGCOSHPSA-N 1 0 311.451 1.344 10 0 DDAERO C[C@@H](C[C@@H]1CCC[NH2+]1)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000093463415 193254683 /nfs/dbraw/zinc/25/46/83/193254683.db2.gz XYTXGQWPNHJWCX-JSGCOSHPSA-N 1 0 311.451 1.879 10 0 DDAERO Cc1cccc(N2C(=[NH2+])NC[C@@]23CCC[C@H]3S(C)(=O)=O)c1 ZINC000093379841 193241241 /nfs/dbraw/zinc/24/12/41/193241241.db2.gz JXLINTFLXKJERJ-UKRRQHHQSA-N 1 0 307.419 1.466 10 0 DDAERO NC1=[NH+]C[C@@H]([C@@H]2CCOC2)N1c1ccc(Br)cc1 ZINC000093386921 193241856 /nfs/dbraw/zinc/24/18/56/193241856.db2.gz PGBKSDLFFLMYTR-SKDRFNHKSA-N 1 0 310.195 1.989 10 0 DDAERO CC[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCSc1nncs1 ZINC000093629339 193276432 /nfs/dbraw/zinc/27/64/32/193276432.db2.gz RBQYGEXBRDYKGL-CABZTGNLSA-N 1 0 300.453 1.654 10 0 DDAERO CC(C)[NH2+][C@]1(C(N)=O)CCC[C@H]1CCSc1nncn1C ZINC000093629238 193276811 /nfs/dbraw/zinc/27/68/11/193276811.db2.gz HSDFRAIFNBQUNT-SMDDNHRTSA-N 1 0 311.455 1.320 10 0 DDAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@H]1CCSC[C@@H](C)CO ZINC000093631354 193277516 /nfs/dbraw/zinc/27/75/16/193277516.db2.gz USXYBVAMYRSEDK-KCQAQPDRSA-N 1 0 302.484 1.762 10 0 DDAERO Cc1nnc(SCC[C@@H]2CCC[C@]2([NH2+]C(C)C)C(N)=O)o1 ZINC000093630236 193277686 /nfs/dbraw/zinc/27/76/86/193277686.db2.gz VHCQVGWCYUMCCL-SMDDNHRTSA-N 1 0 312.439 1.882 10 0 DDAERO CS(=O)(=O)N1CCC[C@H](COc2cccc(F)c2C[NH3+])C1 ZINC000093695751 193290737 /nfs/dbraw/zinc/29/07/37/193290737.db2.gz FMERFNUQDQLUEZ-NSHDSACASA-N 1 0 316.398 1.335 10 0 DDAERO CS(=O)(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(F)cc2F)C1 ZINC000093696794 193291609 /nfs/dbraw/zinc/29/16/09/193291609.db2.gz RXVXNTVFNJKXMY-NSHDSACASA-N 1 0 318.389 1.726 10 0 DDAERO C[C@H](CCc1ccco1)[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696664 193291901 /nfs/dbraw/zinc/29/19/01/193291901.db2.gz GZHVLXOQOWWZEN-ZIAGYGMSSA-N 1 0 314.451 1.862 10 0 DDAERO CCCN(C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCC[NH2+]C1 ZINC000093698391 193292761 /nfs/dbraw/zinc/29/27/61/193292761.db2.gz DOETWUJVLYYUGK-LSDHHAIUSA-N 1 0 317.499 1.122 10 0 DDAERO C[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1ncccc1C ZINC000093700152 193293912 /nfs/dbraw/zinc/29/39/12/193293912.db2.gz RAAVSMUYSUOQDZ-KGLIPLIRSA-N 1 0 311.451 1.712 10 0 DDAERO CCC[NH2+][C@@H](COCC)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700674 193294908 /nfs/dbraw/zinc/29/49/08/193294908.db2.gz VSUBWMJXXMUBSC-UONOGXRCSA-N 1 0 306.472 1.453 10 0 DDAERO CC[NH2+][C@]1(C(N)=O)CCC[C@@H](n2cc(Br)cn2)C1 ZINC000093758698 193301071 /nfs/dbraw/zinc/30/10/71/193301071.db2.gz NEDBEOMULOQPTK-ZYHUDNBSSA-N 1 0 315.215 1.594 10 0 DDAERO Cc1cc(N)cc(C)c1S(=O)(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000093648654 193283987 /nfs/dbraw/zinc/28/39/87/193283987.db2.gz YEOWIHTYBYNRPG-CYBMUJFWSA-N 1 0 311.451 1.506 10 0 DDAERO Cc1cc(N)cc(C)c1S(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000093648752 193285151 /nfs/dbraw/zinc/28/51/51/193285151.db2.gz FLPVFYARSVQLMG-AWEZNQCLSA-N 1 0 311.451 1.600 10 0 DDAERO CC(C)OCCS(=O)(=O)N(CCC[NH3+])c1ccccc1 ZINC000093664665 193285704 /nfs/dbraw/zinc/28/57/04/193285704.db2.gz VZMWNOADTJXBHB-UHFFFAOYSA-N 1 0 300.424 1.597 10 0 DDAERO CC[NH2+][C@@H](C)[C@@H]1CCCCN1S(=O)(=O)CCOC(C)C ZINC000093664625 193286245 /nfs/dbraw/zinc/28/62/45/193286245.db2.gz IAGBHSUHAAENDY-KBPBESRZSA-N 1 0 306.472 1.594 10 0 DDAERO [NH3+][C@H](Cc1cc(F)cc(Br)c1)[C@H]1COCCO1 ZINC000094000195 193337891 /nfs/dbraw/zinc/33/78/91/193337891.db2.gz NTYIDYSBMPKHKH-VXGBXAGGSA-N 1 0 304.159 1.873 10 0 DDAERO CCCN[C@]1(C(=O)OCC)CC[C@@H]([N@H+](CC)CCOC)C1 ZINC000093827376 193313194 /nfs/dbraw/zinc/31/31/94/193313194.db2.gz IEAJWGPRRDOKKQ-GDBMZVCRSA-N 1 0 300.443 1.809 10 0 DDAERO NC(=O)[C@]1([NH3+])CC[C@H](Sc2ccc(C(F)(F)F)cn2)C1 ZINC000093850364 193317993 /nfs/dbraw/zinc/31/79/93/193317993.db2.gz YHGKWWSNSYPOPU-KWQFWETISA-N 1 0 305.325 1.928 10 0 DDAERO CN(C)c1nnc(S[C@@H]2CC[C@](CO)([NH2+]C3CC3)C2)s1 ZINC000093859813 193319329 /nfs/dbraw/zinc/31/93/29/193319329.db2.gz LKTHTALMYGXNMN-MFKMUULPSA-N 1 0 314.480 1.732 10 0 DDAERO OC[C@@]1([NH2+]C2CC2)CC[C@@H](n2cc(Br)cn2)C1 ZINC000093857931 193320120 /nfs/dbraw/zinc/32/01/20/193320120.db2.gz FNSYIYXDGSEVSH-VXGBXAGGSA-N 1 0 300.200 1.854 10 0 DDAERO CCc1nn(CC)c(C[C@H]([NH3+])[C@@H]2CN(CC)CCO2)c1Cl ZINC000093914017 193328035 /nfs/dbraw/zinc/32/80/35/193328035.db2.gz LWPKPQGSHBZXIC-FZMZJTMJSA-N 1 0 314.861 1.709 10 0 DDAERO CC(C)N1CCO[C@H](c2noc(C[C@@H]3CSCC[NH2+]3)n2)C1 ZINC000093922853 193328391 /nfs/dbraw/zinc/32/83/91/193328391.db2.gz WMBUOVQVLATOOR-NEPJUHHUSA-N 1 0 312.439 1.099 10 0 DDAERO C[C@@H]([NH3+])Cc1c(Cl)cccc1N(C)CCS(C)(=O)=O ZINC000094301378 193358322 /nfs/dbraw/zinc/35/83/22/193358322.db2.gz ZBYFHWRJFWXYMI-SNVBAGLBSA-N 1 0 304.843 1.711 10 0 DDAERO CC[C@@H]([NH3+])Cc1ccc(N(C)CCS(C)(=O)=O)c(F)c1 ZINC000094301371 193358621 /nfs/dbraw/zinc/35/86/21/193358621.db2.gz BXDRSZHOJHROEZ-GFCCVEGCSA-N 1 0 302.415 1.586 10 0 DDAERO CCS(=O)(=O)[C@@H]1CSCCN1C[C@@H]1CCC(C)(C)[C@@H]1[NH3+] ZINC000094319187 193359356 /nfs/dbraw/zinc/35/93/56/193359356.db2.gz VZNMEWLFRPTBMU-YNEHKIRRSA-N 1 0 320.524 1.560 10 0 DDAERO CCN(CC(=O)N(C)C)c1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334133 193360031 /nfs/dbraw/zinc/36/00/31/193360031.db2.gz UHSSTYHICOMINB-UHFFFAOYSA-N 1 0 304.316 1.474 10 0 DDAERO C[C@H]1CN(c2nc(C(F)(F)F)ccc2C(N)=O)C[C@H](C)[NH2+]1 ZINC000094336443 193361199 /nfs/dbraw/zinc/36/11/99/193361199.db2.gz ODFRGVACNCZPQL-YUMQZZPRSA-N 1 0 302.300 1.386 10 0 DDAERO NC(=O)c1ccc(C(F)(F)F)nc1N1CCC[C@@H](C[NH3+])C1 ZINC000094337354 193361285 /nfs/dbraw/zinc/36/12/85/193361285.db2.gz VAFGPQMXPDPGOZ-QMMMGPOBSA-N 1 0 302.300 1.374 10 0 DDAERO C[N@@H+]1CC[C@H](Nc2nc(C(F)(F)F)ccc2C(N)=S)C1 ZINC000094336044 193361298 /nfs/dbraw/zinc/36/12/98/193361298.db2.gz XVWNJLCNPWSFJV-ZETCQYMHSA-N 1 0 304.341 1.851 10 0 DDAERO Cc1c(F)cc(N)cc1S(=O)(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000094360354 193365726 /nfs/dbraw/zinc/36/57/26/193365726.db2.gz QGNWKKFQMTUPDA-LLVKDONJSA-N 1 0 315.414 1.336 10 0 DDAERO Cc1cc(N)c(C)c(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2C)c1 ZINC000094358596 193364393 /nfs/dbraw/zinc/36/43/93/193364393.db2.gz GOABOFDQRNYWEM-ZDUSSCGKSA-N 1 0 311.451 1.648 10 0 DDAERO Cc1c(NC[C@H]2CCCC[N@H+]2C)cc(N)cc1S(N)(=O)=O ZINC000094360087 193364745 /nfs/dbraw/zinc/36/47/45/193364745.db2.gz 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/nfs/dbraw/zinc/36/96/15/193369615.db2.gz FXIUIVUJBLHVFN-HUUCEWRRSA-N 1 0 315.483 1.019 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cnccc1Cl ZINC000094459471 193372101 /nfs/dbraw/zinc/37/21/01/193372101.db2.gz YVTXNBKXXAHDQR-GHMZBOCLSA-N 1 0 315.826 1.592 10 0 DDAERO [NH3+]Cc1ccc(-c2csc([C@@H]3CN4CCN3CC4)n2)cc1 ZINC000094511570 193375989 /nfs/dbraw/zinc/37/59/89/193375989.db2.gz ZDQPLXAGKJIEEP-HNNXBMFYSA-N 1 0 300.431 1.941 10 0 DDAERO [NH3+]Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)o1 ZINC000094568306 193380737 /nfs/dbraw/zinc/38/07/37/193380737.db2.gz PKEUTPYOFPQCRV-AAEUAGOBSA-N 1 0 310.419 1.865 10 0 DDAERO COC(=O)CCN(CC(F)(F)F)C(=O)c1ccc(C[NH3+])o1 ZINC000094568579 193381095 /nfs/dbraw/zinc/38/10/95/193381095.db2.gz QSHBLJLUFWKEIS-UHFFFAOYSA-N 1 0 308.256 1.306 10 0 DDAERO CC1(C)C[NH2+]CCN1c1nc2c(Br)cccn2n1 ZINC000094608679 193384566 /nfs/dbraw/zinc/38/45/66/193384566.db2.gz DEGVOKYVIKEXNL-UHFFFAOYSA-N 1 0 310.199 1.680 10 0 DDAERO CCc1nn(C)c(C[NH2+]CC2(C)COC2)c1Br ZINC000094722060 193393587 /nfs/dbraw/zinc/39/35/87/193393587.db2.gz ZGFARIXGCHBGJQ-UHFFFAOYSA-N 1 0 302.216 1.871 10 0 DDAERO NS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000094749114 193395373 /nfs/dbraw/zinc/39/53/73/193395373.db2.gz ZGKNBIFPCJCVEO-CHWSQXEVSA-N 1 0 311.407 1.180 10 0 DDAERO Cc1cc(N2CCN(S(C)(=O)=O)CC2)c([C@@H](C)[NH3+])cc1F ZINC000094766586 193396326 /nfs/dbraw/zinc/39/63/26/193396326.db2.gz FADMHWFEFTZNTP-LLVKDONJSA-N 1 0 315.414 1.235 10 0 DDAERO COc1cccc([C@@H](C[NH2+][C@H]2CCS(=O)(=O)C2)N(C)C)c1 ZINC000020551777 182230888 /nfs/dbraw/zinc/23/08/88/182230888.db2.gz HLTKIDFFLHUMHP-DZGCQCFKSA-N 1 0 312.435 1.075 10 0 DDAERO CCN1CCN([C@H](C[NH3+])c2ccc(Br)o2)CC1 ZINC000022173756 182312126 /nfs/dbraw/zinc/31/21/26/182312126.db2.gz SQQTWQUGVGREFP-SNVBAGLBSA-N 1 0 302.216 1.679 10 0 DDAERO COc1cccc([C@H]2NC(=[NH2+])Nc3nc(=O)c4ccccc4n32)c1 ZINC000022239230 182315222 /nfs/dbraw/zinc/31/52/22/182315222.db2.gz RWBXAJRQNNHRCN-AWEZNQCLSA-N 1 0 321.340 1.692 10 0 DDAERO C[C@](CO)(c1ccccc1Br)N1CCC[NH2+]CC1 ZINC000038117244 182993292 /nfs/dbraw/zinc/99/32/92/182993292.db2.gz NNLQEVLTXZJFKT-AWEZNQCLSA-N 1 0 313.239 1.952 10 0 DDAERO COC(=O)[C@@H]1C[C@@H](C[NH3+])CCN1C(=O)OCc1ccccc1 ZINC000039941404 183023262 /nfs/dbraw/zinc/02/32/62/183023262.db2.gz XKMCVXRAIRBCQS-KBPBESRZSA-N 1 0 306.362 1.536 10 0 DDAERO Cc1cc(C)c(C(N)=S)c(NC2CCS(=O)(=O)CC2)[nH+]1 ZINC000040514872 183088702 /nfs/dbraw/zinc/08/87/02/183088702.db2.gz VCEXVXLYJVQLCZ-UHFFFAOYSA-N 1 0 313.448 1.322 10 0 DDAERO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000040833597 183140270 /nfs/dbraw/zinc/14/02/70/183140270.db2.gz GBWSPWJATMMUNR-KCJUWKMLSA-N 1 0 312.391 1.149 10 0 DDAERO CC[C@H](C)[NH2+]CC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000040855790 183142958 /nfs/dbraw/zinc/14/29/58/183142958.db2.gz MBFPMBHHDDLZAM-NWDGAFQWSA-N 1 0 312.435 1.655 10 0 DDAERO COC(=O)COC[C@@H]([NH3+])c1ccc(OC)c(Br)c1 ZINC000041072056 183162916 /nfs/dbraw/zinc/16/29/16/183162916.db2.gz ZAUNFVJCCXGWLZ-SNVBAGLBSA-N 1 0 318.167 1.647 10 0 DDAERO CC(=O)NCCC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000041310326 183185339 /nfs/dbraw/zinc/18/53/39/183185339.db2.gz PZTLEXJUNJHLQT-AWEZNQCLSA-N 1 0 311.813 1.585 10 0 DDAERO C[C@H]1CN(S(=O)(=O)Cc2ccc(C[NH3+])cc2)CC(C)(C)O1 ZINC000041676023 183215129 /nfs/dbraw/zinc/21/51/29/183215129.db2.gz QGSIQHRUKOSUJI-LBPRGKRZSA-N 1 0 312.435 1.474 10 0 DDAERO CCC[N@H+](CCN(C)C)CC[C@@](C)(NCC)C(=O)OCC ZINC000041675016 183215621 /nfs/dbraw/zinc/21/56/21/183215621.db2.gz CFINXQNAUQPBFZ-MRXNPFEDSA-N 1 0 301.475 1.581 10 0 DDAERO CCO[C@H]1CCCN(S(=O)(=O)Cc2ccccc2C[NH3+])C1 ZINC000042424151 183268647 /nfs/dbraw/zinc/26/86/47/183268647.db2.gz BWWGRRGFIRKPAR-HNNXBMFYSA-N 1 0 312.435 1.476 10 0 DDAERO COC[C@@H](O)C[N@H+](C)CCCOc1ccccc1C(N)=S ZINC000042506112 183277787 /nfs/dbraw/zinc/27/77/87/183277787.db2.gz NFFSBDCETYQEMS-LBPRGKRZSA-N 1 0 312.435 1.029 10 0 DDAERO C[C@H](C[NH+]1CCCC1)NC(=O)c1cc(Br)c[nH]1 ZINC000042371348 183260921 /nfs/dbraw/zinc/26/09/21/183260921.db2.gz OUQJOXKVUTUPFV-SECBINFHSA-N 1 0 300.200 1.991 10 0 DDAERO CNC(=O)[C@H]1CCCN1c1ccc(C(F)(F)F)cc1C[NH3+] ZINC000042390759 183263651 /nfs/dbraw/zinc/26/36/51/183263651.db2.gz BPAHQARIQNOFNR-GFCCVEGCSA-N 1 0 301.312 1.879 10 0 DDAERO CNC(=O)[C@H]1CCCN1c1cc(Br)ccc1C[NH3+] ZINC000042395637 183263745 /nfs/dbraw/zinc/26/37/45/183263745.db2.gz GOJPGVPYBHYFNB-LLVKDONJSA-N 1 0 312.211 1.623 10 0 DDAERO CC[C@@H]([NH3+])[C@@H](c1ccc(F)cc1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000042914733 183318000 /nfs/dbraw/zinc/31/80/00/183318000.db2.gz HALXPNMELPKISP-RBSFLKMASA-N 1 0 314.426 1.723 10 0 DDAERO CC(C)N(CC(F)(F)F)S(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000042782506 183309458 /nfs/dbraw/zinc/30/94/58/183309458.db2.gz NIEWYZPEGWBGRC-JTQLQIEISA-N 1 0 302.362 1.731 10 0 DDAERO COc1ccccc1[C@H](Sc1nc(N)cc(N)n1)[C@@H](C)[NH3+] ZINC000043101983 183338078 /nfs/dbraw/zinc/33/80/78/183338078.db2.gz DJYBRBUVOKRXMF-AMIZOPFISA-N 1 0 305.407 1.830 10 0 DDAERO CC(C)([NH3+])c1noc(Cn2cc(Br)ccc2=O)n1 ZINC000043403870 183359263 /nfs/dbraw/zinc/35/92/63/183359263.db2.gz ZNPPTMOSJWDEFO-UHFFFAOYSA-N 1 0 313.155 1.236 10 0 DDAERO C[C@@H]([NH3+])[C@@H](c1ccncc1)N1CCN(c2nccs2)CC1 ZINC000043353127 183356550 /nfs/dbraw/zinc/35/65/50/183356550.db2.gz YMWKCWZXICQISP-OCCSQVGLSA-N 1 0 303.435 1.749 10 0 DDAERO C[NH2+]Cc1ccc(O[C@H](C)C(=O)NCCCOC)c(Cl)c1 ZINC000043478142 183365653 /nfs/dbraw/zinc/36/56/53/183365653.db2.gz LSXOTZQOBRYIFW-LLVKDONJSA-N 1 0 314.813 1.979 10 0 DDAERO COC(=O)[C@@H](C)Oc1ccc(Br)cc1CC[NH3+] ZINC000043630760 183375778 /nfs/dbraw/zinc/37/57/78/183375778.db2.gz MFIRJLZKXRLXJM-MRVPVSSYSA-N 1 0 302.168 1.891 10 0 DDAERO CCC[NH2+][C@H]1CCC2(C[C@H]1N(CC)CCOC)OCCO2 ZINC000043968794 183390880 /nfs/dbraw/zinc/39/08/80/183390880.db2.gz ISYSBSMUXIZMFT-LSDHHAIUSA-N 1 0 300.443 1.619 10 0 DDAERO CN(C[C@@H]1CCCCO1)S(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000044594517 183426351 /nfs/dbraw/zinc/42/63/51/183426351.db2.gz ATAAOWRTRAXBGA-AWEZNQCLSA-N 1 0 312.435 1.377 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2cn3cccnc3n2)C[C@H]1CC ZINC000105838085 194144339 /nfs/dbraw/zinc/14/43/39/194144339.db2.gz HIOCJOMZBJANIS-MRXNPFEDSA-N 1 0 317.437 1.662 10 0 DDAERO CCCCNC(=O)[C@H](C)[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000105874085 194152842 /nfs/dbraw/zinc/15/28/42/194152842.db2.gz SLAQHSXMZHJIMC-STQMWFEESA-N 1 0 307.442 1.611 10 0 DDAERO CCc1nccn1[C@@H]1CCC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC000105897449 194162941 /nfs/dbraw/zinc/16/29/41/194162941.db2.gz UNAVWFKLJOZHQK-CYBMUJFWSA-N 1 0 304.394 1.231 10 0 DDAERO CCn1cnnc1C1CC[NH+](CCn2c(C)csc2=O)CC1 ZINC000105929680 194172122 /nfs/dbraw/zinc/17/21/22/194172122.db2.gz NMFWQSCIFSFKOM-UHFFFAOYSA-N 1 0 321.450 1.709 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(Cl)nc(NN)c1 ZINC000051113636 183815927 /nfs/dbraw/zinc/81/59/27/183815927.db2.gz JKMCMVSPWMGPHR-LLVKDONJSA-N 1 0 313.833 1.727 10 0 DDAERO CCC[C@@H](C(N)=S)[NH+]1CCN(c2cc(CC)ncn2)CC1 ZINC000109471723 194267562 /nfs/dbraw/zinc/26/75/62/194267562.db2.gz JKOHZFJDRATCDG-ZDUSSCGKSA-N 1 0 307.467 1.616 10 0 DDAERO C[NH2+][C@@H](COC)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000109521058 194271196 /nfs/dbraw/zinc/27/11/96/194271196.db2.gz ZNPRPTZQYMUYGY-MRVPVSSYSA-N 1 0 301.268 1.931 10 0 DDAERO Cc1ccc(C(=O)CCN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000159341090 197346848 /nfs/dbraw/zinc/34/68/48/197346848.db2.gz AUDYHIDBVYNRBW-HZPDHXFCSA-N 1 0 304.434 1.955 10 0 DDAERO Cc1ccc(F)cc1S(=O)(=O)NC[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000051574654 183830052 /nfs/dbraw/zinc/83/00/52/183830052.db2.gz PGYOJYRZXCFFKT-YPMHNXCESA-N 1 0 300.399 1.943 10 0 DDAERO CCCNS(=O)(=O)c1ccccc1OCC1CC[NH2+]CC1 ZINC000051869769 183839447 /nfs/dbraw/zinc/83/94/47/183839447.db2.gz GPABQNSNUYYBGU-UHFFFAOYSA-N 1 0 312.435 1.753 10 0 DDAERO Cc1nnc(SCCCC[C@](C)([NH2+]C(C)C)C(N)=O)n1C ZINC000110034442 194304994 /nfs/dbraw/zinc/30/49/94/194304994.db2.gz HFMBNSGGSBXQMI-AWEZNQCLSA-N 1 0 313.471 1.628 10 0 DDAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000110878129 194366283 /nfs/dbraw/zinc/36/62/83/194366283.db2.gz FBZUHJNUTOKEJI-OLZOCXBDSA-N 1 0 309.435 1.917 10 0 DDAERO CN(CC(=O)NC(=O)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110931912 194371184 /nfs/dbraw/zinc/37/11/84/194371184.db2.gz UJJVASFDFSWMHQ-CYBMUJFWSA-N 1 0 309.797 1.280 10 0 DDAERO CCN(c1ccccc1S(=O)(=O)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000110947265 194373715 /nfs/dbraw/zinc/37/37/15/194373715.db2.gz SBXRKDVPIJFTLD-CYBMUJFWSA-N 1 0 311.451 1.515 10 0 DDAERO C[NH+]1CCC(N(CCO)C(=O)c2c(N)cccc2Cl)CC1 ZINC000111010948 194382686 /nfs/dbraw/zinc/38/26/86/194382686.db2.gz RIQLIEBKHHQXCP-UHFFFAOYSA-N 1 0 311.813 1.451 10 0 DDAERO CCC[NH2+][C@H](CS(C)(=O)=O)c1ccc(OC)cc1OC ZINC000054930503 183955135 /nfs/dbraw/zinc/95/51/35/183955135.db2.gz INFXXXGULFFCPK-CYBMUJFWSA-N 1 0 301.408 1.789 10 0 DDAERO CC[C@H]1CN(Cc2ccc3c(c2)CCO3)CC[N@@H+]1C[C@@H](C)O ZINC000111227888 194408536 /nfs/dbraw/zinc/40/85/36/194408536.db2.gz LBCSWWJXCMDFQY-PBHICJAKSA-N 1 0 304.434 1.899 10 0 DDAERO O=C(CN1CCC[NH2+]CC1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000061271131 184167319 /nfs/dbraw/zinc/16/73/19/184167319.db2.gz JTRGQRCEPMZFGH-NEPJUHHUSA-N 1 0 307.360 1.519 10 0 DDAERO CCOc1ccc(Cl)cc1NC(=O)CN1CCC[NH2+]CC1 ZINC000061271608 184167329 /nfs/dbraw/zinc/16/73/29/184167329.db2.gz LVRLFEUJQHYBDB-UHFFFAOYSA-N 1 0 311.813 1.973 10 0 DDAERO CC[NH2+]CCC(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000061298738 184167624 /nfs/dbraw/zinc/16/76/24/184167624.db2.gz DGWLUNYWJFPCJN-UHFFFAOYSA-N 1 0 311.407 1.065 10 0 DDAERO CC[NH2+]C(C)(C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000061291893 184167793 /nfs/dbraw/zinc/16/77/93/184167793.db2.gz AMQSSFIYGFMBTA-UHFFFAOYSA-N 1 0 313.423 1.264 10 0 DDAERO COCC[N@H+](C)CCNc1cccc(Cl)c1C(N)=S ZINC000061381088 184170062 /nfs/dbraw/zinc/17/00/62/184170062.db2.gz UONSAQOXJGAWBQ-UHFFFAOYSA-N 1 0 301.843 1.964 10 0 DDAERO Cc1ccc2[nH]c(S[C@@H](C)C(=O)N3CC[NH2+]CC3)nc2c1 ZINC000061440719 184171008 /nfs/dbraw/zinc/17/10/08/184171008.db2.gz VVYBJEMFHPMSSJ-NSHDSACASA-N 1 0 304.419 1.784 10 0 DDAERO COc1cccc([C@@H](C[NH3+])Sc2n[nH]c(=O)n2C(C)C)c1 ZINC000061595066 184176660 /nfs/dbraw/zinc/17/66/60/184176660.db2.gz QPZWCPJNUWVHJC-GFCCVEGCSA-N 1 0 308.407 1.953 10 0 DDAERO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1c(N)cccc1F ZINC000061642665 184180107 /nfs/dbraw/zinc/18/01/07/184180107.db2.gz ZZPBSIVVHHOGPN-JTQLQIEISA-N 1 0 301.387 1.123 10 0 DDAERO CNc1ccc(Cl)c(CN2CCN(CC[NH+](C)C)CC2)n1 ZINC000061653296 184181337 /nfs/dbraw/zinc/18/13/37/184181337.db2.gz PMBCZHGGSVGEJO-UHFFFAOYSA-N 1 0 311.861 1.456 10 0 DDAERO [NH3+]C1CCC(CC(=O)N2CCN(CC(F)(F)F)CC2)CC1 ZINC000061950868 184198414 /nfs/dbraw/zinc/19/84/14/184198414.db2.gz FQBIAYISFZWJQN-UHFFFAOYSA-N 1 0 307.360 1.601 10 0 DDAERO C[N@@H+]1CC[C@@H](Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000061988566 184199966 /nfs/dbraw/zinc/19/99/66/184199966.db2.gz SCESXLIONSUQPT-SNVBAGLBSA-N 1 0 303.815 1.828 10 0 DDAERO CCOc1ccc(N)cc1S(=O)(=O)NCC[N@H+](C)C1CC1 ZINC000062010808 184201241 /nfs/dbraw/zinc/20/12/41/184201241.db2.gz 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CCc1nc2n(n1)C[C@@H](NC(=O)NCCC[NH+](CC)CC)CC2 ZINC000114910165 407634612 /nfs/dbraw/zinc/63/46/12/407634612.db2.gz GBEDRHHDPINJRB-ZDUSSCGKSA-N 1 0 322.457 1.186 10 0 DDAERO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)N(C)C ZINC000227658029 407636009 /nfs/dbraw/zinc/63/60/09/407636009.db2.gz FMNDGUOMERSBQO-OLZOCXBDSA-N 1 0 313.442 1.700 10 0 DDAERO [NH3+]C1(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)CCOCC1 ZINC000261868176 407647805 /nfs/dbraw/zinc/64/78/05/407647805.db2.gz NWSLPQANOSSCCG-CYBMUJFWSA-N 1 0 323.824 1.543 10 0 DDAERO CCCN(CC)c1ccc(C(=O)NC[C@H]2CN(C)CCO2)cn1 ZINC000171287006 407648393 /nfs/dbraw/zinc/64/83/93/407648393.db2.gz TXDRNFAKIRDVON-HNNXBMFYSA-N 1 0 320.437 1.378 10 0 DDAERO Fc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1 ZINC000261936110 407677309 /nfs/dbraw/zinc/67/73/09/407677309.db2.gz MGNVQNQDYACGIR-BRWVUGGUSA-N 1 0 308.397 1.951 10 0 DDAERO C[C@H](NC(=O)C1([NH3+])CCOCC1)c1ccccc1-n1cccn1 ZINC000261947175 407686055 /nfs/dbraw/zinc/68/60/55/407686055.db2.gz 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318.240 1.928 10 0 DDAERO CCO[C@@H]1CN(c2cc(C)c(Br)cn2)C[C@H]1C[NH3+] ZINC000405312970 418775784 /nfs/dbraw/zinc/77/57/84/418775784.db2.gz VEQOPBIEFPQFNO-ZYHUDNBSSA-N 1 0 314.227 1.953 10 0 DDAERO C[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(F)c2)[C@@H](C[NH3+])C1 ZINC000235359322 287597787 /nfs/dbraw/zinc/59/77/87/287597787.db2.gz VCPOANLURVYFOG-NXEZZACHSA-N 1 0 304.362 1.713 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851987 423158308 /nfs/dbraw/zinc/15/83/08/423158308.db2.gz SCQGKQCZQOCEIS-IAGOWNOFSA-N 1 0 319.449 1.521 10 0 DDAERO CC1(C)CN(c2ccc(I)cn2)CC[NH2+]1 ZINC000420276267 420177277 /nfs/dbraw/zinc/17/72/77/420177277.db2.gz LPDRNKPUXBQGMR-UHFFFAOYSA-N 1 0 317.174 1.874 10 0 DDAERO Cc1nccn1-c1cncc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000301972440 230013342 /nfs/dbraw/zinc/01/33/42/230013342.db2.gz IBBJIWKBMMJSKC-LSDHHAIUSA-N 1 0 312.421 1.891 10 0 DDAERO O[C@]1(c2cn[nH]n2)CCC[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000583617891 422201739 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CCC[C@@H](CC[NH3+])CCC(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000079237420 185162118 /nfs/dbraw/zinc/16/21/18/185162118.db2.gz GKJDHBKCRADMAM-TZMCWYRMSA-N 1 0 304.456 1.225 10 0 DDAERO CC[NH2+][C@H](CS(=O)(=O)CC(=O)OCC)c1ccccc1C ZINC000081977574 192347465 /nfs/dbraw/zinc/34/74/65/192347465.db2.gz IVZRAHQKRBPLQF-CQSZACIVSA-N 1 0 313.419 1.624 10 0 DDAERO CCC[C@H](C[NH3+])C(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000087519187 185227481 /nfs/dbraw/zinc/22/74/81/185227481.db2.gz LDTZXRYYFFQISQ-SECBINFHSA-N 1 0 308.773 1.629 10 0 DDAERO CC[C@H](C[NH3+])C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000087532767 185227804 /nfs/dbraw/zinc/22/78/04/185227804.db2.gz LSPPDCUQNUCHRG-SNVBAGLBSA-N 1 0 311.407 1.051 10 0 DDAERO CO[C@H]1C[NH2+][C@H](CNCc2sccc2Br)C1 ZINC000087575957 185228675 /nfs/dbraw/zinc/22/86/75/185228675.db2.gz ZVPDVXOCQXYZDN-DTWKUNHWSA-N 1 0 305.241 1.977 10 0 DDAERO C[C@H]1C[NH2+]C[C@H]1C(=O)NCc1sccc1Br ZINC000087575730 185228772 /nfs/dbraw/zinc/22/87/72/185228772.db2.gz TWPGGOZRBYUECF-JGVFFNPUSA-N 1 0 303.225 1.982 10 0 DDAERO CCC[NH2+]Cc1nnc(-n2cc(Br)cn2)s1 ZINC000087698580 185230664 /nfs/dbraw/zinc/23/06/64/185230664.db2.gz FJSKNDYLTOFRSG-UHFFFAOYSA-N 1 0 302.201 1.986 10 0 DDAERO CCCCS(=O)(=O)[C@H]1CC2(CC[C@@H]1[NH2+]CCC)OCCO2 ZINC000081973661 192347795 /nfs/dbraw/zinc/34/77/95/192347795.db2.gz CHXRCNLQMGVPSD-KBPBESRZSA-N 1 0 319.467 1.865 10 0 DDAERO CN1CCCC[C@H]1COc1nc(NN)[nH+]cc1Br ZINC000087890430 185234696 /nfs/dbraw/zinc/23/46/96/185234696.db2.gz YKKMACRSMKYJMG-QMMMGPOBSA-N 1 0 316.203 1.388 10 0 DDAERO Cc1nn(C)c(C)c1Oc1nc(NN)[nH+]cc1Br ZINC000087891294 185234822 /nfs/dbraw/zinc/23/48/22/185234822.db2.gz GDLLJBCGVXAGOE-UHFFFAOYSA-N 1 0 313.159 1.667 10 0 DDAERO C[C@]1(CNc2nc(NN)[nH+]cc2Br)CCCO1 ZINC000087894785 185235232 /nfs/dbraw/zinc/23/52/32/185235232.db2.gz KTFAPDMKDCSXLE-SNVBAGLBSA-N 1 0 302.176 1.506 10 0 DDAERO C[C@H]([NH3+])C[S@@](=O)CCOc1cccc(Br)c1 ZINC000088069452 185238628 /nfs/dbraw/zinc/23/86/28/185238628.db2.gz AVQPAVDHQCGIFU-XXFAHNHDSA-N 1 0 306.225 1.924 10 0 DDAERO C[NH2+][C@@H]1CC(C)(C)Cc2c1cnn2[C@@]1(C)CCS(=O)(=O)C1 ZINC000087862181 185233742 /nfs/dbraw/zinc/23/37/42/185233742.db2.gz GUGONPYNDCFCJC-DOMZBBRYSA-N 1 0 311.451 1.650 10 0 DDAERO CCc1c(C)nn(-c2nc(NN)[nH+]cc2Br)c1C ZINC000087867396 185233794 /nfs/dbraw/zinc/23/37/94/185233794.db2.gz JSTAQRPJRZOQOA-UHFFFAOYSA-N 1 0 311.187 1.890 10 0 DDAERO Cc1csc(CNc2nc(NN)[nH+]cc2Br)n1 ZINC000087865943 185233868 /nfs/dbraw/zinc/23/38/68/185233868.db2.gz PJEKYPLKJAVNHO-UHFFFAOYSA-N 1 0 315.200 1.902 10 0 DDAERO C[N@@H+]1CCCC[C@@H]1COc1nc(Cl)nc(-n2cccn2)n1 ZINC000088165579 185240994 /nfs/dbraw/zinc/24/09/94/185240994.db2.gz UGCPWKOETIIVOM-SNVBAGLBSA-N 1 0 308.773 1.574 10 0 DDAERO CNC(=O)[C@H]([NH2+]C[C@H](O)COc1cc(C)ccc1C)C(C)C ZINC000183647862 539242678 /nfs/dbraw/zinc/24/26/78/539242678.db2.gz HSVGQTKZFLRCOK-GOEBONIOSA-N 1 0 308.422 1.403 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN(C(=O)c2cncc(C)c2)CC1 ZINC000088449304 185251403 /nfs/dbraw/zinc/25/14/03/185251403.db2.gz YBNRBVWQRCZLLK-CYBMUJFWSA-N 1 0 306.435 1.213 10 0 DDAERO COC[C@H](C)NS(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000088541981 185256511 /nfs/dbraw/zinc/25/65/11/185256511.db2.gz BIUJOQKOCOYVET-JTQLQIEISA-N 1 0 304.412 1.481 10 0 DDAERO CCC[NH2+][C@@H]1CCC2(C[C@@H]1S(=O)(=O)C(C)C)OCCO2 ZINC000081980552 192348808 /nfs/dbraw/zinc/34/88/08/192348808.db2.gz AJCDJQCLDVZROU-OLZOCXBDSA-N 1 0 305.440 1.473 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)CC[C@H]2CCCO2)C1 ZINC000246052599 539269314 /nfs/dbraw/zinc/26/93/14/539269314.db2.gz UPNMYTRQRHXXAY-MCIONIFRSA-N 1 0 304.456 1.204 10 0 DDAERO CC(C)[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1[C@H]1C=CS(=O)(=O)C1 ZINC000088860389 185267540 /nfs/dbraw/zinc/26/75/40/185267540.db2.gz FPTNEKZPRGUNIG-MELADBBJSA-N 1 0 300.468 1.642 10 0 DDAERO COc1ccc([C@H](C)[NH3+])cc1CS(=O)(=O)C1CCOCC1 ZINC000081989592 192351123 /nfs/dbraw/zinc/35/11/23/192351123.db2.gz LDPPQLJGGAYVON-NSHDSACASA-N 1 0 313.419 1.809 10 0 DDAERO CC(C)C[C@](C)(O)C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000090268700 185288706 /nfs/dbraw/zinc/28/87/06/185288706.db2.gz SXSRPQMKAOUVII-DOMZBBRYSA-N 1 0 314.451 1.782 10 0 DDAERO CCCN(C1C[NH2+]C1)S(=O)(=O)c1c(C)cc(OC)cc1C ZINC000090293212 185289838 /nfs/dbraw/zinc/28/98/38/185289838.db2.gz ZSGKAJYUOBTRCO-UHFFFAOYSA-N 1 0 312.435 1.685 10 0 DDAERO CCCNS(=O)(=O)c1ccccc1N(CCC)C1C[NH2+]C1 ZINC000090294153 185289954 /nfs/dbraw/zinc/28/99/54/185289954.db2.gz AXOFXGQOIBXSSJ-UHFFFAOYSA-N 1 0 311.451 1.563 10 0 DDAERO O=C(c1cc2c(s1)CCCC2)N1CCN(C2C[NH2+]C2)CC1 ZINC000090306814 185290133 /nfs/dbraw/zinc/29/01/33/185290133.db2.gz YLHJSCZJAHWSJC-UHFFFAOYSA-N 1 0 305.447 1.357 10 0 DDAERO Brc1ccccc1CN1CCN(C2C[NH2+]C2)CC1 ZINC000090306280 185290351 /nfs/dbraw/zinc/29/03/51/185290351.db2.gz XFDPCXZDBRFZJP-UHFFFAOYSA-N 1 0 310.239 1.539 10 0 DDAERO CC(C)(C)c1ccc(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000090322114 185290919 /nfs/dbraw/zinc/29/09/19/185290919.db2.gz XRLJQRIPTFCVOP-STQMWFEESA-N 1 0 308.447 1.824 10 0 DDAERO O=C(Cc1ccc(Br)cc1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090321443 185290956 /nfs/dbraw/zinc/29/09/56/185290956.db2.gz BQFHYBLHGJAMRE-RYUDHWBXSA-N 1 0 309.207 1.669 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1CC(=O)N[C@@H](C)c1cccs1 ZINC000090333083 185291660 /nfs/dbraw/zinc/29/16/60/185291660.db2.gz UOSCZRGTWUAOMJ-REWJHTLYSA-N 1 0 307.463 1.855 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1cc(C)cc(C)c1 ZINC000090331845 185291710 /nfs/dbraw/zinc/29/17/10/185291710.db2.gz FOXCUTPCWIIEFS-FVQBIDKESA-N 1 0 308.447 1.922 10 0 DDAERO [NH3+][C@@H]1COC[C@H]1C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000090380134 185293759 /nfs/dbraw/zinc/29/37/59/185293759.db2.gz FGWXAVOMMTUMPB-GHMZBOCLSA-N 1 0 304.268 1.540 10 0 DDAERO [NH3+][C@H]1COC[C@@H]1C(=O)Nc1cccc(Cl)c1-n1ccnc1 ZINC000090379725 185293798 /nfs/dbraw/zinc/29/37/98/185293798.db2.gz IFNUSTFJQMTMHY-ONGXEEELSA-N 1 0 306.753 1.438 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1C(=O)N(C)Cc1c(F)cccc1Cl ZINC000090434527 185296245 /nfs/dbraw/zinc/29/62/45/185296245.db2.gz PVRYSPRLMRYMEA-GWCFXTLKSA-N 1 0 300.761 1.672 10 0 DDAERO COC(=O)c1c(C)c(C)sc1NC(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000090599338 185305876 /nfs/dbraw/zinc/30/58/76/185305876.db2.gz UAQMBWHJNBDZFS-OTYXRUKQSA-N 1 0 312.391 1.454 10 0 DDAERO C[C@]1(C(=O)Nc2ccc(Br)c(F)c2)COC[C@@H]1[NH3+] ZINC000090605873 185306411 /nfs/dbraw/zinc/30/64/11/185306411.db2.gz YQCUOXVFRPGRMN-JQWIXIFHSA-N 1 0 317.158 1.891 10 0 DDAERO COc1ncccc1C(=O)N1CCCSC[C@H]1C[NH+](C)C ZINC000090699738 185310220 /nfs/dbraw/zinc/31/02/20/185310220.db2.gz ZKWJWEURCHOWFU-GFCCVEGCSA-N 1 0 309.435 1.600 10 0 DDAERO CCCc1cc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)CC2)n(C)n1 ZINC000082107963 192356729 /nfs/dbraw/zinc/35/67/29/192356729.db2.gz JZOAOOFJUTWNEH-KRWDZBQOSA-N 1 0 322.453 1.291 10 0 DDAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1Sc1nnnn1C ZINC000092389645 185315739 /nfs/dbraw/zinc/31/57/39/185315739.db2.gz BHYKGIHRTVAYDY-CHWSQXEVSA-N 1 0 305.407 1.586 10 0 DDAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000092952918 185350468 /nfs/dbraw/zinc/35/04/68/185350468.db2.gz YRRZPLLNGQXKPM-IUCAKERBSA-N 1 0 318.345 1.619 10 0 DDAERO CC[C@@H]1CN(C(=O)NCc2cccs2)CC[N@@H+]1C[C@@H](C)O ZINC000181525369 199311280 /nfs/dbraw/zinc/31/12/80/199311280.db2.gz ZNAUXVFTQPYPDO-CHWSQXEVSA-N 1 0 311.451 1.735 10 0 DDAERO Cc1nn(C)c2ncc(C(=O)N3CC[C@H](C)C[C@@H]3C[NH3+])cc12 ZINC000261817239 282286500 /nfs/dbraw/zinc/28/65/00/282286500.db2.gz NTOPFWWMLLPCSC-GXFFZTMASA-N 1 0 301.394 1.476 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1nnc2n1CCCC2 ZINC000046278795 190674754 /nfs/dbraw/zinc/67/47/54/190674754.db2.gz NOLTXTGWFJCXFD-LBPRGKRZSA-N 1 0 308.430 1.144 10 0 DDAERO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1F ZINC000229591614 201843076 /nfs/dbraw/zinc/84/30/76/201843076.db2.gz XPQIFXGRHQGFBW-PSASIEDQSA-N 1 0 306.790 1.898 10 0 DDAERO CCC[NH2+][C@H](C)[C@H]1CCCCN1S(=O)(=O)N1CCCC1 ZINC000111715802 185630361 /nfs/dbraw/zinc/63/03/61/185630361.db2.gz IPVPRRBTWKXIFF-ZIAGYGMSSA-N 1 0 303.472 1.570 10 0 DDAERO O=S(=O)(c1cncc(F)c1)N1CCC[C@@H](C[NH2+]C2CC2)C1 ZINC000111719726 185630573 /nfs/dbraw/zinc/63/05/73/185630573.db2.gz GKMRFTWBLPIEHP-NSHDSACASA-N 1 0 313.398 1.373 10 0 DDAERO CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@@H](c2cccnc2N)C1 ZINC000616625308 362761051 /nfs/dbraw/zinc/76/10/51/362761051.db2.gz JUOHKFYVYPFNNC-GFCCVEGCSA-N 1 0 306.410 1.978 10 0 DDAERO O=S(=O)(NC1CC1)c1ccccc1N[C@H]1CCCC[NH2+]C1 ZINC000070121058 190859731 /nfs/dbraw/zinc/85/97/31/190859731.db2.gz XWWVPBMHQARVBN-ZDUSSCGKSA-N 1 0 309.435 1.681 10 0 DDAERO Cc1cc(F)c(S(=O)(=O)NCC(C)(C)C[NH+](C)C)cc1N ZINC000070484953 190901154 /nfs/dbraw/zinc/90/11/54/190901154.db2.gz SEYJVSFMAQVEBS-UHFFFAOYSA-N 1 0 317.430 1.582 10 0 DDAERO CCN(C)C(=O)CC[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000130346588 185958301 /nfs/dbraw/zinc/95/83/01/185958301.db2.gz GVGXPOSCUXTGIT-UHFFFAOYSA-N 1 0 305.426 1.246 10 0 DDAERO CCC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCCS(C)(=O)=O ZINC000071346676 190960950 /nfs/dbraw/zinc/96/09/50/190960950.db2.gz IBJRHSSJTWQSRJ-ZIAGYGMSSA-N 1 0 304.500 1.910 10 0 DDAERO CC[NH2+][C@@H](C[S@@](=O)CCOC)c1ccc(OC)c(OC)c1 ZINC000084036240 192396544 /nfs/dbraw/zinc/39/65/44/192396544.db2.gz DJSDAHGFKGNHRJ-YEJXKQKISA-N 1 0 315.435 1.750 10 0 DDAERO CC(C)(C)[NH2+]CCC[S@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084055907 192397416 /nfs/dbraw/zinc/39/74/16/192397416.db2.gz VKSSPZRQUFWKMM-LJQANCHMSA-N 1 0 317.476 1.976 10 0 DDAERO CC[NH2+][C@@H](C)CCC[S@@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084055960 192397505 /nfs/dbraw/zinc/39/75/05/192397505.db2.gz ZEPPWDLZPIBFPF-BUXKBTBVSA-N 1 0 317.476 1.976 10 0 DDAERO CC[NH+](CC)CCCN(C[C@H](C)C(=O)OC)C(=O)COC ZINC000071635171 190995489 /nfs/dbraw/zinc/99/54/89/190995489.db2.gz SRKHYKRIBUCFRH-ZDUSSCGKSA-N 1 0 302.415 1.002 10 0 DDAERO COc1ccc2c(c1)nc([C@H](C)[NH3+])n2CC(=O)N1CCCC1 ZINC000071667921 191002364 /nfs/dbraw/zinc/00/23/64/191002364.db2.gz MGUNQFZTZUDZBY-NSHDSACASA-N 1 0 302.378 1.687 10 0 DDAERO O=S(=O)(c1ccc(-c2cccnc2)cc1)N1CCC[NH2+]CC1 ZINC000071709841 191010648 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O=S1(=O)N=C(OCCCC2CC[NH2+]CC2)c2ccccc21 ZINC000095073741 193416389 /nfs/dbraw/zinc/41/63/89/193416389.db2.gz ABGXKVMCGROMNE-UHFFFAOYSA-N 1 0 308.403 1.932 10 0 DDAERO CS(=O)(=O)[C@H]1CCC[C@@H]([N@@H+]2CCc3ccc(N)cc3C2)C1 ZINC000094792411 193398494 /nfs/dbraw/zinc/39/84/94/193398494.db2.gz PCZHBXJRIRGBEK-CVEARBPZSA-N 1 0 308.447 1.983 10 0 DDAERO CCCc1nnsc1[C@@H](CCCS(=O)(=O)CC)[NH2+]C ZINC000097217396 193693863 /nfs/dbraw/zinc/69/38/63/193693863.db2.gz MMIRGHLFOVITTE-SNVBAGLBSA-N 1 0 305.469 1.966 10 0 DDAERO Cc1c(C[NH2+]CCCn2cc(Br)cn2)cnn1C ZINC000288519081 220195138 /nfs/dbraw/zinc/19/51/38/220195138.db2.gz UJFCSRJXOZBYCN-UHFFFAOYSA-N 1 0 312.215 1.867 10 0 DDAERO Cc1ccc(C(=O)N2CCC[C@H]([NH+]3CCC(CO)CC3)C2)cn1 ZINC000019608191 182133488 /nfs/dbraw/zinc/13/34/88/182133488.db2.gz ORLLBJJUYCIQNO-KRWDZBQOSA-N 1 0 317.433 1.699 10 0 DDAERO CS(=O)(=O)c1ccc(C(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000040162666 183041781 /nfs/dbraw/zinc/04/17/81/183041781.db2.gz VIRQXBLTCZZWSX-UHFFFAOYSA-N 1 0 304.371 1.801 10 0 DDAERO OCCCc1nc2ccccc2n1CCC[NH+]1CCOCC1 ZINC000040389815 183059949 /nfs/dbraw/zinc/05/99/49/183059949.db2.gz OMMVOMGNHOFYAH-UHFFFAOYSA-N 1 0 303.406 1.684 10 0 DDAERO CCOC1CCN(S(=O)(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000040690256 183118591 /nfs/dbraw/zinc/11/85/91/183118591.db2.gz RFUXJRQHKHZBLN-GFCCVEGCSA-N 1 0 312.435 1.896 10 0 DDAERO CC(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(F)cc2N)C1 ZINC000040620909 183110275 /nfs/dbraw/zinc/11/02/75/183110275.db2.gz FFBVFHQIGALZLE-NSHDSACASA-N 1 0 315.414 1.417 10 0 DDAERO Nc1cc(S(N)(=O)=O)ccc1NCC[NH+]1CCCCCC1 ZINC000040767600 183131650 /nfs/dbraw/zinc/13/16/50/183131650.db2.gz YBRFEAJMGLUSLQ-UHFFFAOYSA-N 1 0 312.439 1.204 10 0 DDAERO C[C@H](NS(=O)(=O)N1CC[NH2+]CC1)c1ccc(Cl)s1 ZINC000040860894 183143706 /nfs/dbraw/zinc/14/37/06/183143706.db2.gz AVXDKXZUXVOFSK-QMMMGPOBSA-N 1 0 309.844 1.202 10 0 DDAERO CC(C)(C)[C@H](NS(=O)(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000040860910 183143716 /nfs/dbraw/zinc/14/37/16/183143716.db2.gz IFEGCSLDIYMXTE-CQSZACIVSA-N 1 0 311.451 1.513 10 0 DDAERO CNS(=O)(=O)c1ccc(NCC[NH+]2CCC(C)CC2)cc1 ZINC000040772367 183130843 /nfs/dbraw/zinc/13/08/43/183130843.db2.gz MZOGEZZZDNVWEN-UHFFFAOYSA-N 1 0 311.451 1.739 10 0 DDAERO CSc1ccc([C@H](C)NS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000040860906 183144257 /nfs/dbraw/zinc/14/42/57/183144257.db2.gz QFEDNNOHGMWTAU-NSHDSACASA-N 1 0 315.464 1.209 10 0 DDAERO CN1CCC([N@H+](C)CCCCCNC(=O)C(F)(F)F)CC1 ZINC000041540786 183200738 /nfs/dbraw/zinc/20/07/38/183200738.db2.gz VPJCRQKBTNHUFT-UHFFFAOYSA-N 1 0 309.376 1.861 10 0 DDAERO CNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1ccc(Br)cc1 ZINC000042240114 183245353 /nfs/dbraw/zinc/24/53/53/183245353.db2.gz ACVFHOYXGIQDAB-MRVPVSSYSA-N 1 0 314.183 1.383 10 0 DDAERO [NH3+]CC1(N2CCC[C@@H]3CCCC[C@@H]32)CCS(=O)(=O)CC1 ZINC000042332360 183254841 /nfs/dbraw/zinc/25/48/41/183254841.db2.gz DNSAWABUORCKKY-KBPBESRZSA-N 1 0 300.468 1.547 10 0 DDAERO CC[C@@H]([NH3+])Cc1cccc(Br)c1OCC(=O)NC ZINC000042412847 183266741 /nfs/dbraw/zinc/26/67/41/183266741.db2.gz RACCVRSBDRTHKP-SNVBAGLBSA-N 1 0 315.211 1.854 10 0 DDAERO CCN(C[C@@H](C)C[NH3+])S(=O)(=O)c1cccc2cnccc21 ZINC000042441981 183271371 /nfs/dbraw/zinc/27/13/71/183271371.db2.gz PJCWUPUCMBAGPF-LBPRGKRZSA-N 1 0 307.419 1.840 10 0 DDAERO C[C@@H](C[NH3+])CN(C)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000042455464 183271837 /nfs/dbraw/zinc/27/18/37/183271837.db2.gz RQPCPMPSPCTEFN-VIFPVBQESA-N 1 0 310.341 1.921 10 0 DDAERO CN(Cc1ccc(Cl)s1)C1(C[NH3+])CCS(=O)(=O)CC1 ZINC000042332538 183255320 /nfs/dbraw/zinc/25/53/20/183255320.db2.gz RVEQTZJKSFBODQ-UHFFFAOYSA-N 1 0 322.883 1.739 10 0 DDAERO CC[NH2+]Cc1c(N2CCC[C@H]2C(=O)NC)nc2sccn12 ZINC000042395926 183263599 /nfs/dbraw/zinc/26/35/99/183263599.db2.gz VQPJHYUPLUFPLI-JTQLQIEISA-N 1 0 307.423 1.220 10 0 DDAERO CN(Cc1cc(Br)cs1)S(=O)(=O)CC[NH3+] ZINC000042400843 183264201 /nfs/dbraw/zinc/26/42/01/183264201.db2.gz RKSGGRLUFUNUQS-UHFFFAOYSA-N 1 0 313.242 1.231 10 0 DDAERO COC(=O)CCCN(C)S(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000042718691 183301695 /nfs/dbraw/zinc/30/16/95/183301695.db2.gz NOFUPBUGGHLVHN-NSHDSACASA-N 1 0 314.407 1.280 10 0 DDAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)cc1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000042914718 183318313 /nfs/dbraw/zinc/31/83/13/183318313.db2.gz KGGMZJMNKDFLRN-BZUAXINKSA-N 1 0 310.463 1.892 10 0 DDAERO CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)CC(N)=O ZINC000043020460 183328534 /nfs/dbraw/zinc/32/85/34/183328534.db2.gz LPKFLAZJSWXWKG-YPMHNXCESA-N 1 0 314.227 1.645 10 0 DDAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1Cl)N1CCN(CCO)CC1 ZINC000043051513 183332522 /nfs/dbraw/zinc/33/25/22/183332522.db2.gz XMVUWZXYSUMISB-HZPDHXFCSA-N 1 0 311.857 1.728 10 0 DDAERO CC[C@@H]([NH3+])[C@H](c1ccccc1Cl)N1CCS(=O)(=O)CC1 ZINC000043051551 183332946 /nfs/dbraw/zinc/33/29/46/183332946.db2.gz HFTFNSXKUYZMBV-KGLIPLIRSA-N 1 0 316.854 1.849 10 0 DDAERO C[C@@H]([NH3+])[C@H](c1ccccc1Br)N(C)CC(N)=O ZINC000043091458 183335780 /nfs/dbraw/zinc/33/57/80/183335780.db2.gz CFKDQLRVDGHTLR-PRHODGIISA-N 1 0 300.200 1.255 10 0 DDAERO C[NH+](C)C(C)(C)CNc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000043411826 183360114 /nfs/dbraw/zinc/36/01/14/183360114.db2.gz MUPALZZDPATFIU-UHFFFAOYSA-N 1 0 311.451 1.879 10 0 DDAERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000105818191 194136693 /nfs/dbraw/zinc/13/66/93/194136693.db2.gz OKODQORGSNEDLG-HNNXBMFYSA-N 1 0 311.470 1.286 10 0 DDAERO CCN(CC)C(=O)C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000105806205 194134119 /nfs/dbraw/zinc/13/41/19/194134119.db2.gz FNRNDAUGVWEXEW-UHFFFAOYSA-N 1 0 305.426 1.246 10 0 DDAERO NC(=O)c1cccc(C[NH+]2CCC(Nc3cccnn3)CC2)c1 ZINC000105805607 194134266 /nfs/dbraw/zinc/13/42/66/194134266.db2.gz JDZOHYOQUDQMLG-UHFFFAOYSA-N 1 0 311.389 1.652 10 0 DDAERO CCCc1noc(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000105862517 194150360 /nfs/dbraw/zinc/15/03/60/194150360.db2.gz NNOPSERPMCITAX-CYBMUJFWSA-N 1 0 310.442 1.547 10 0 DDAERO CCCCc1nc(CN2CC[N@H+](CCOCC)[C@H](C)C2)no1 ZINC000105835556 194141476 /nfs/dbraw/zinc/14/14/76/194141476.db2.gz SUWVQWNMGLLJCP-CQSZACIVSA-N 1 0 310.442 1.955 10 0 DDAERO CC[C@H]1CN(CC(=O)NC(C2CC2)C2CC2)CC[N@@H+]1CCOC ZINC000105836688 194143325 /nfs/dbraw/zinc/14/33/25/194143325.db2.gz GHFLQRLNEKXETO-INIZCTEOSA-N 1 0 323.481 1.334 10 0 DDAERO CC[C@H]1CN(CC(=O)N2CCC[C@H](C)C2)CC[N@@H+]1CCOC ZINC000105836450 194143328 /nfs/dbraw/zinc/14/33/28/194143328.db2.gz BDKFAADFWFCRNH-HOTGVXAUSA-N 1 0 311.470 1.288 10 0 DDAERO CCOCC[N@@H+]1CCN(CC(=O)NC2CCCC2)C[C@H]1CC ZINC000105837739 194144240 /nfs/dbraw/zinc/14/42/40/194144240.db2.gz HHHOWRNOKYOUNP-MRXNPFEDSA-N 1 0 311.470 1.478 10 0 DDAERO CCOCC[N@@H+]1CCN(CCOCC(F)(F)F)C[C@@H]1CC ZINC000105838439 194144484 /nfs/dbraw/zinc/14/44/84/194144484.db2.gz PIZIOWNKBNXJDS-ZDUSSCGKSA-N 1 0 312.376 1.998 10 0 DDAERO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000105874112 194152973 /nfs/dbraw/zinc/15/29/73/194152973.db2.gz XKBBMIRUUBFRNQ-OCCSQVGLSA-N 1 0 321.469 1.999 10 0 DDAERO COCC[N@@H+]1CCN(CCC(=O)Nc2cccc(F)c2)C[C@@H]1C ZINC000105902841 194166057 /nfs/dbraw/zinc/16/60/57/194166057.db2.gz RJWSFSAGXUZESK-AWEZNQCLSA-N 1 0 323.412 1.807 10 0 DDAERO Cc1ccc(C)c(NC(=O)CN2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000105925050 194171261 /nfs/dbraw/zinc/17/12/61/194171261.db2.gz ZBXKBTWPVLEDQY-HNNXBMFYSA-N 1 0 305.422 1.504 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCS(=O)(=O)c1ccccc1 ZINC000106379252 194204065 /nfs/dbraw/zinc/20/40/65/194204065.db2.gz GYLLBXJALSHCSA-OAHLLOKOSA-N 1 0 310.463 1.876 10 0 DDAERO COCCCNC(=O)COc1ccc(Cl)cc1C[C@@H](C)[NH3+] ZINC000049283436 183723670 /nfs/dbraw/zinc/72/36/70/183723670.db2.gz SOLIRABBYHEZJW-LLVKDONJSA-N 1 0 314.813 1.761 10 0 DDAERO CCN(c1ccc(F)cc1)S(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000050013796 183767303 /nfs/dbraw/zinc/76/73/03/183767303.db2.gz DGYDIHYHADYARZ-GFCCVEGCSA-N 1 0 300.399 1.981 10 0 DDAERO CCN([C@](C)(CC)C[NH3+])S(=O)(=O)c1ccc(OC)cc1 ZINC000050093528 183772423 /nfs/dbraw/zinc/77/24/23/183772423.db2.gz XSYPYXVMBLQARO-CQSZACIVSA-N 1 0 300.424 1.833 10 0 DDAERO Cc1ccccc1CC(=O)N1CC[NH+]([C@H](C)C(N)=S)CC1 ZINC000109457750 194264330 /nfs/dbraw/zinc/26/43/30/194264330.db2.gz PWLNNCTWBIXIMF-CYBMUJFWSA-N 1 0 305.447 1.356 10 0 DDAERO CC[C@H](C[NH3+])N1CCN(S(=O)(=O)CC2CCCCC2)CC1 ZINC000109450926 194264627 /nfs/dbraw/zinc/26/46/27/194264627.db2.gz ZOXJWUKPGIORPH-OAHLLOKOSA-N 1 0 317.499 1.251 10 0 DDAERO CN(c1cc(CO)[nH+]c2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000109594341 194276236 /nfs/dbraw/zinc/27/62/36/194276236.db2.gz XKVIZCCOLUJYFE-GFCCVEGCSA-N 1 0 306.387 1.350 10 0 DDAERO CC(C)(C(N)=S)[NH+]1CCN(C(=O)Cc2cccs2)CC1 ZINC000109465833 194267434 /nfs/dbraw/zinc/26/74/34/194267434.db2.gz CXBQBOICFHMOTO-UHFFFAOYSA-N 1 0 311.476 1.500 10 0 DDAERO CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C[C@@H](C)O)cc1 ZINC000051840012 183838494 /nfs/dbraw/zinc/83/84/94/183838494.db2.gz BAZOEMRYAJUCQC-CHWSQXEVSA-N 1 0 314.451 1.749 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCCC3)C2)s1 ZINC000110389720 194327405 /nfs/dbraw/zinc/32/74/05/194327405.db2.gz DYJGXUONYORYGL-NSHDSACASA-N 1 0 315.464 1.066 10 0 DDAERO CC1(C)C(=O)NCCN1c1ccc(C(F)(F)F)cc1C[NH3+] ZINC000110651946 194347106 /nfs/dbraw/zinc/34/71/06/194347106.db2.gz JYUQBTBNPANHQA-UHFFFAOYSA-N 1 0 301.312 1.879 10 0 DDAERO COc1ccc([C@@H](CO)N2CCC[NH2+]CC2)c(Cl)c1OC ZINC000110831514 194363106 /nfs/dbraw/zinc/36/31/06/194363106.db2.gz WKXHDNOQEHIBFQ-GFCCVEGCSA-N 1 0 314.813 1.686 10 0 DDAERO CN(c1ccc(C(N)=O)c(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000110932704 194370784 /nfs/dbraw/zinc/37/07/84/194370784.db2.gz OJCFKOYVJFYMPI-JTQLQIEISA-N 1 0 301.312 1.993 10 0 DDAERO CN(c1ccc(C(F)(F)F)cc1C(N)=O)[C@H]1CCC[NH2+]C1 ZINC000110932483 194370981 /nfs/dbraw/zinc/37/09/81/194370981.db2.gz PNGWEBAVGJXIAF-JTQLQIEISA-N 1 0 301.312 1.993 10 0 DDAERO CN(C)S(=O)(=O)c1cccc(CN(C)[C@@H]2CCC[NH2+]C2)c1 ZINC000110928733 194371459 /nfs/dbraw/zinc/37/14/59/194371459.db2.gz RCGGGSZMKCANLQ-CQSZACIVSA-N 1 0 311.451 1.121 10 0 DDAERO CCN(c1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110946901 194372888 /nfs/dbraw/zinc/37/28/88/194372888.db2.gz FCJMSQVLSRRDCV-CQSZACIVSA-N 1 0 311.451 1.515 10 0 DDAERO CCOCCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000111125596 194393754 /nfs/dbraw/zinc/39/37/54/194393754.db2.gz WLIXGTLOFHGVIV-GFCCVEGCSA-N 1 0 300.424 1.753 10 0 DDAERO O=C1N[C@H](c2ccc(Cl)cc2)C(=O)N1CC1CC[NH2+]CC1 ZINC000057848103 184057352 /nfs/dbraw/zinc/05/73/52/184057352.db2.gz BFSQOFMRBCOOPI-CYBMUJFWSA-N 1 0 307.781 1.933 10 0 DDAERO CC[NH2+][C@@H](C)CC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000058041058 184070363 /nfs/dbraw/zinc/07/03/63/184070363.db2.gz OXFQGHOIGGMJGK-LBPRGKRZSA-N 1 0 313.442 1.890 10 0 DDAERO C[NH2+][C@H](Cc1ccc(OC(F)(F)F)cc1)CS(C)(=O)=O ZINC000060705672 184154429 /nfs/dbraw/zinc/15/44/29/184154429.db2.gz CFKVEGPPFRFQKS-SNVBAGLBSA-N 1 0 311.325 1.760 10 0 DDAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(NS(C)(=O)=O)c(C)c1 ZINC000061233181 184166957 /nfs/dbraw/zinc/16/69/57/184166957.db2.gz NUBQOBZLICFBEU-LLVKDONJSA-N 1 0 313.423 1.551 10 0 DDAERO Clc1nc(N[C@H]2CC[N@@H+](C3CC3)C2)nc(N2CCCC2)n1 ZINC000061540939 184173369 /nfs/dbraw/zinc/17/33/69/184173369.db2.gz TWYWLLBZNKLKSL-JTQLQIEISA-N 1 0 308.817 1.774 10 0 DDAERO CCn1c(S[C@H](c2cccc(OC)c2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594265 184176041 /nfs/dbraw/zinc/17/60/41/184176041.db2.gz IJQAVJZEEPNRAU-CABZTGNLSA-N 1 0 308.407 1.781 10 0 DDAERO NS(=O)(=O)CC[NH2+]C1c2ccccc2Cc2ccccc21 ZINC000061669836 184181872 /nfs/dbraw/zinc/18/18/72/184181872.db2.gz BBNBFTZYGJOQSZ-UHFFFAOYSA-N 1 0 302.399 1.558 10 0 DDAERO Nc1ccc2nc(NC(=O)CC[N@@H+]3CC[C@H](O)C3)sc2c1 ZINC000061709565 184184692 /nfs/dbraw/zinc/18/46/92/184184692.db2.gz HBPKAVICIPWKKA-JTQLQIEISA-N 1 0 306.391 1.274 10 0 DDAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCOCC2)cc1 ZINC000061936922 184196714 /nfs/dbraw/zinc/19/67/14/184196714.db2.gz LYSCLRDUNQMOTR-UHFFFAOYSA-N 1 0 312.435 1.596 10 0 DDAERO [NH3+][C@H](Cc1ccccc1)CN1CCN(CC(F)(F)F)CC1 ZINC000061948015 184197842 /nfs/dbraw/zinc/19/78/42/184197842.db2.gz ILNWWPCNHMHWFI-CQSZACIVSA-N 1 0 301.356 1.736 10 0 DDAERO C[C@@H]1C[C@@H](C(=O)N2CCN(CC(F)(F)F)CC2)CC[C@@H]1[NH3+] ZINC000061950859 184198411 /nfs/dbraw/zinc/19/84/11/184198411.db2.gz DMVOWOVQZLQXJP-WOPDTQHZSA-N 1 0 307.360 1.456 10 0 DDAERO CC(C)[C@H](C(N)=S)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000062034499 184202243 /nfs/dbraw/zinc/20/22/43/184202243.db2.gz KEWWDRRQVRNDAK-CQSZACIVSA-N 1 0 311.495 1.879 10 0 DDAERO Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000062037592 184202687 /nfs/dbraw/zinc/20/26/87/184202687.db2.gz IXKCTENPSKUNBI-VXGBXAGGSA-N 1 0 300.399 1.801 10 0 DDAERO COc1ccc(CNS(=O)(=O)c2ccccc2C[NH3+])cn1 ZINC000062074036 184204389 /nfs/dbraw/zinc/20/43/89/184204389.db2.gz VQDXUQGPDBRGIW-UHFFFAOYSA-N 1 0 307.375 1.027 10 0 DDAERO CCC[NH2+]C[C@](C)(CCC)CN1CCN(S(C)(=O)=O)CC1 ZINC000062086278 184205433 /nfs/dbraw/zinc/20/54/33/184205433.db2.gz WVGSQPRVUACDSQ-HNNXBMFYSA-N 1 0 319.515 1.370 10 0 DDAERO CC(C)(C)[NH2+]CCCCCN1CCN(S(C)(=O)=O)CC1 ZINC000062097057 184206207 /nfs/dbraw/zinc/20/62/07/184206207.db2.gz SARTZFWTHSPJFG-UHFFFAOYSA-N 1 0 305.488 1.122 10 0 DDAERO O=S(=O)(Cc1ccc(F)cc1)NOCC[NH+]1CCCCC1 ZINC000062578245 184244137 /nfs/dbraw/zinc/24/41/37/184244137.db2.gz QZSXCSDXHJCQQH-UHFFFAOYSA-N 1 0 316.398 1.663 10 0 DDAERO CNC(=O)CCOc1ccc(C[C@H](C)[NH3+])cc1Br ZINC000062703997 184248833 /nfs/dbraw/zinc/24/88/33/184248833.db2.gz FBCLJEYXPRTGGB-VIFPVBQESA-N 1 0 315.211 1.854 10 0 DDAERO CC(C)(C)[NH2+]Cc1ccccc1O[C@H]1CS(=O)(=O)C[C@H]1O ZINC000062729269 184250480 /nfs/dbraw/zinc/25/04/80/184250480.db2.gz KMZYZDVEFSZPAB-OCCSQVGLSA-N 1 0 313.419 1.111 10 0 DDAERO COCC[NH2+]Cc1c(Cl)cccc1N(C)C[C@H](O)COC ZINC000062737698 184252246 /nfs/dbraw/zinc/25/22/46/184252246.db2.gz TUAKRGWRUUJCHM-LBPRGKRZSA-N 1 0 316.829 1.520 10 0 DDAERO COCC[NH2+]Cc1cc(F)ccc1N(C)C[C@H](O)COC ZINC000062737684 184252251 /nfs/dbraw/zinc/25/22/51/184252251.db2.gz ZPJNRNQJNCUHAC-AWEZNQCLSA-N 1 0 300.374 1.005 10 0 DDAERO [NH3+]CC1(N2CCC3(CCCC3)CC2)CCS(=O)(=O)CC1 ZINC000062952655 184261818 /nfs/dbraw/zinc/26/18/18/184261818.db2.gz WWHLLIODSSYJTM-UHFFFAOYSA-N 1 0 300.468 1.549 10 0 DDAERO NNc1cc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc(Cl)n1 ZINC000062943626 184261962 /nfs/dbraw/zinc/26/19/62/184261962.db2.gz DQKQCUPNPGRBFV-NSHDSACASA-N 1 0 309.801 1.331 10 0 DDAERO C[NH+](C)[C@@H]1CCN(c2ncc(Br)cc2CO)C1 ZINC000062967486 184263513 /nfs/dbraw/zinc/26/35/13/184263513.db2.gz KRRLRWSLVOEIFX-LLVKDONJSA-N 1 0 300.200 1.477 10 0 DDAERO C[NH2+][C@H](C)c1sc(N2CC[C@H](N3CCOCC3)C2)nc1C ZINC000062975221 184263669 /nfs/dbraw/zinc/26/36/69/184263669.db2.gz RULPOTCCGKDFPL-YPMHNXCESA-N 1 0 310.467 1.643 10 0 DDAERO NC(=S)c1ncccc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062980150 184264050 /nfs/dbraw/zinc/26/40/50/184264050.db2.gz TWYLBWBTDPQTBN-AWEZNQCLSA-N 1 0 304.463 1.776 10 0 DDAERO CS(=O)(=O)c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)c(N)c1 ZINC000062975990 184264446 /nfs/dbraw/zinc/26/44/46/184264446.db2.gz BKSKXGORQMDGJC-GFCCVEGCSA-N 1 0 309.435 1.347 10 0 DDAERO C[NH2+]Cc1cnc(N2CC[C@@H](N3CCOCC3)C2)c(Cl)c1 ZINC000062983179 184264451 /nfs/dbraw/zinc/26/44/51/184264451.db2.gz ZRQDFJIURQXFKF-CYBMUJFWSA-N 1 0 310.829 1.365 10 0 DDAERO O=S1(=O)CC[C@H](CNC2=[NH+][C@@H](c3ccccc3)CS2)C1 ZINC000063002920 184265533 /nfs/dbraw/zinc/26/55/33/184265533.db2.gz HHPIDOBIFPUSRF-DGCLKSJQSA-N 1 0 310.444 1.855 10 0 DDAERO Cn1ncc2c1nc(CN1CCC[C@H]1C[NH+](C)C)nc2Cl ZINC000063077751 184269345 /nfs/dbraw/zinc/26/93/45/184269345.db2.gz VMMQYUYPXQIGSC-JTQLQIEISA-N 1 0 308.817 1.543 10 0 DDAERO CS(=O)(=O)c1ccc(Sc2cc(C(N)=[NH2+])ccn2)cc1 ZINC000063131358 184272273 /nfs/dbraw/zinc/27/22/73/184272273.db2.gz OLADQCKNEDLEQH-UHFFFAOYSA-N 1 0 307.400 1.920 10 0 DDAERO CCN(CC)c1cc(N2CCC[N@@H+]3CCC[C@H]3C2)nc(N)n1 ZINC000065404523 184337772 /nfs/dbraw/zinc/33/77/72/184337772.db2.gz KRZBSGMLLHASFF-ZDUSSCGKSA-N 1 0 304.442 1.580 10 0 DDAERO CC[C@@H](C)[NH2+]CC(=O)Nc1ccc(C(=O)NCCCOC)cc1 ZINC000066068158 184386186 /nfs/dbraw/zinc/38/61/86/184386186.db2.gz FYSAESHUCBFMGA-CYBMUJFWSA-N 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DDAERO Cn1cc([C@H]2OCC[C@@H]2C[NH2+]CCOc2ncccc2F)cn1 ZINC000886079738 708694131 /nfs/dbraw/zinc/69/41/31/708694131.db2.gz ZNBXJLNFKGJLTN-DOMZBBRYSA-N 1 0 320.368 1.700 10 0 DDAERO CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CC[NH2+]C(C)(C)C ZINC000935899424 715136574 /nfs/dbraw/zinc/13/65/74/715136574.db2.gz ALUNVWACMDQHJP-QLFBSQMISA-N 1 0 312.454 1.807 10 0 DDAERO O=S(=O)(c1c[nH]cn1)N1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000081767934 192322118 /nfs/dbraw/zinc/32/21/18/192322118.db2.gz VCLNWXBCTAUOJI-CYBMUJFWSA-N 1 0 312.439 1.343 10 0 DDAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000248649497 282096227 /nfs/dbraw/zinc/09/62/27/282096227.db2.gz LFACXZWPMGEYQD-HZPDHXFCSA-N 1 0 312.454 1.402 10 0 DDAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C[C@@H](O)C(F)(F)F)C1 ZINC000248660320 282097268 /nfs/dbraw/zinc/09/72/68/282097268.db2.gz VWAHGOFKQBENNE-ZIAGYGMSSA-N 1 0 317.355 1.759 10 0 DDAERO Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000083749689 282104596 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C[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)[C@H](C)NC(=O)OC(C)(C)C ZINC000249026152 282127597 /nfs/dbraw/zinc/12/75/97/282127597.db2.gz LKSMONHOZZPUQL-FRRDWIJNSA-N 1 0 313.442 1.698 10 0 DDAERO Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NC[C@H]([NH3+])[C@H](C)O ZINC000096767850 185386812 /nfs/dbraw/zinc/38/68/12/185386812.db2.gz BARHKVDAXAQTFM-AAEUAGOBSA-N 1 0 314.451 1.279 10 0 DDAERO CC[C@@H]1CN(C(=O)/C=C/c2scnc2C)CC[N@@H+]1C[C@H](C)O ZINC000249136531 282134946 /nfs/dbraw/zinc/13/49/46/282134946.db2.gz OFYSDDXVKXEXAI-UGAQRHAQSA-N 1 0 323.462 1.768 10 0 DDAERO C[NH2+][C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000081935271 192342237 /nfs/dbraw/zinc/34/22/37/192342237.db2.gz FADJXBUUZXTXQU-DOMZBBRYSA-N 1 0 311.403 1.762 10 0 DDAERO COCCN(CCOC)C(=O)CC[C@@H](CC[NH3+])C(C)(C)C ZINC000079290318 185163436 /nfs/dbraw/zinc/16/34/36/185163436.db2.gz ZJGPSLQXXOCAKW-AWEZNQCLSA-N 1 0 302.459 1.899 10 0 DDAERO CN(C(=O)CC[C@@H](CC[NH3+])C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000079290446 185163583 /nfs/dbraw/zinc/16/35/83/185163583.db2.gz WJAGWMSHPMXVNQ-QWHCGFSZSA-N 1 0 318.483 1.423 10 0 DDAERO COc1ccccc1N1CCN(C(=O)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000082314661 185175314 /nfs/dbraw/zinc/17/53/14/185175314.db2.gz KAPYQNSCJREAOS-OAHLLOKOSA-N 1 0 317.433 1.828 10 0 DDAERO [NH3+][C@H](Cc1ccc(Br)s1)[C@H]1CCS(=O)(=O)C1 ZINC000083185319 185216957 /nfs/dbraw/zinc/21/69/57/185216957.db2.gz IGQOAOWOYWJDAW-IONNQARKSA-N 1 0 324.265 1.815 10 0 DDAERO CS(=O)(=O)C[C@@H](O)[C@@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000087368401 185222798 /nfs/dbraw/zinc/22/27/98/185222798.db2.gz JJJINGGKMGZHPX-GXSJLCMTSA-N 1 0 312.218 1.441 10 0 DDAERO COc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C(C)C)cc1Cl ZINC000087404848 185224053 /nfs/dbraw/zinc/22/40/53/185224053.db2.gz JKGNQTSTVWMTRF-NSHDSACASA-N 1 0 306.815 1.610 10 0 DDAERO C[C@H](CCC[C@H](C)[NH3+])C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000087682584 185230558 /nfs/dbraw/zinc/23/05/58/185230558.db2.gz LTVKLWIINYKRNI-MNOVXSKESA-N 1 0 313.423 1.426 10 0 DDAERO NNc1nc(OCCc2ccccn2)c(Br)c[nH+]1 ZINC000087879696 185234574 /nfs/dbraw/zinc/23/45/74/185234574.db2.gz HJIJDSQDFGYGQM-UHFFFAOYSA-N 1 0 310.155 1.541 10 0 DDAERO C[NH2+][C@@H](CS(=O)(=O)CC(=O)OC)c1ccc(C(C)C)cc1 ZINC000081976716 192347620 /nfs/dbraw/zinc/34/76/20/192347620.db2.gz GEYDERFVQHKGFP-AWEZNQCLSA-N 1 0 313.419 1.658 10 0 DDAERO CCC[C@H]1CC[C@@H]([NH2+]CC)[C@H](S(=O)(=O)CC(=O)OC)C1 ZINC000081975716 192347689 /nfs/dbraw/zinc/34/76/89/192347689.db2.gz ZSNPQNMOYQMJTF-YNEHKIRRSA-N 1 0 305.440 1.521 10 0 DDAERO CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1S(=O)(=O)CCC(=O)OC ZINC000081974951 192347817 /nfs/dbraw/zinc/34/78/17/192347817.db2.gz PNRWYAUOOOFAOU-IHRRRGAJSA-N 1 0 319.467 1.911 10 0 DDAERO NNc1nc(NC[C@H]2CCC[C@H]2CO)c(Br)c[nH+]1 ZINC000087890096 185234803 /nfs/dbraw/zinc/23/48/03/185234803.db2.gz KUHANFOAMBKAFF-SFYZADRCSA-N 1 0 316.203 1.345 10 0 DDAERO [NH3+][C@H](Cc1cc(F)ccc1Br)[C@H]1COCCO1 ZINC000087857426 185233590 /nfs/dbraw/zinc/23/35/90/185233590.db2.gz MHDCGXYHODYZGT-VXGBXAGGSA-N 1 0 304.159 1.873 10 0 DDAERO C[C@@H]1CN(c2nc(NN)[nH+]cc2Br)CC(C)(C)O1 ZINC000087868685 185234218 /nfs/dbraw/zinc/23/42/18/185234218.db2.gz AIGKMJXLNIMUIR-SSDOTTSWSA-N 1 0 316.203 1.528 10 0 DDAERO CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1S(=O)(=O)CC(=O)OC ZINC000081976810 192348101 /nfs/dbraw/zinc/34/81/01/192348101.db2.gz DZLRKBRNTGKQPU-UPJWGTAASA-N 1 0 305.440 1.377 10 0 DDAERO CC(C)C[C@@H](C[NH3+])CC(=O)NCCCOC[C@H]1CCCO1 ZINC000088277976 185244720 /nfs/dbraw/zinc/24/47/20/185244720.db2.gz NNFVZUVMHXXRDU-HUUCEWRRSA-N 1 0 300.443 1.699 10 0 DDAERO CCC[NH2+][C@@H](CS(=O)(=O)CCC(=O)OC)c1ccccc1 ZINC000081974610 192348324 /nfs/dbraw/zinc/34/83/24/192348324.db2.gz FQFMGUPEBYTQGL-AWEZNQCLSA-N 1 0 313.419 1.705 10 0 DDAERO CCc1ccc([C@H]([NH2+]C)[C@H](C)S(=O)(=O)CC(=O)OC)cc1 ZINC000081976729 192348659 /nfs/dbraw/zinc/34/86/59/192348659.db2.gz HUYWFYIHKJXOLF-XHDPSFHLSA-N 1 0 313.419 1.486 10 0 DDAERO CS(=O)(=O)[C@@H]1CCC[C@@H]1N1CC[NH2+]CC12CCCCC2 ZINC000088395636 185248479 /nfs/dbraw/zinc/24/84/79/185248479.db2.gz PIHGPDUGWMPJKL-UONOGXRCSA-N 1 0 300.468 1.560 10 0 DDAERO CN(CCC(F)(F)F)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000088419078 185249465 /nfs/dbraw/zinc/24/94/65/185249465.db2.gz SDKSVHBXHWTPLC-UHFFFAOYSA-N 1 0 310.341 1.859 10 0 DDAERO CN(CCC(F)(F)F)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000088419098 185249475 /nfs/dbraw/zinc/24/94/75/185249475.db2.gz PDUNWSFXQBHJNA-UHFFFAOYSA-N 1 0 310.341 1.859 10 0 DDAERO CN(CCC(F)(F)F)S(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000088432996 185249670 /nfs/dbraw/zinc/24/96/70/185249670.db2.gz AECRQCRJHHOTMW-UHFFFAOYSA-N 1 0 310.341 1.761 10 0 DDAERO CNS(=O)(=O)c1ccc(CN[C@@H](CC(C)C)C[NH+](C)C)o1 ZINC000088540276 185255688 /nfs/dbraw/zinc/25/56/88/185255688.db2.gz HOZDPOPYKDIOCT-LBPRGKRZSA-N 1 0 317.455 1.254 10 0 DDAERO CNS(=O)(=O)c1ccc(C[NH2+]CCCOCC(C)C)o1 ZINC000088539975 185255738 /nfs/dbraw/zinc/25/57/38/185255738.db2.gz QXMVZEWABCTNJU-UHFFFAOYSA-N 1 0 304.412 1.340 10 0 DDAERO C[C@H]([NH2+]Cc1cc(=O)n(C)c(=O)n1C)c1ccc(F)c(F)c1 ZINC000192480110 539259628 /nfs/dbraw/zinc/25/96/28/539259628.db2.gz IIPQVSXKCQRTNV-VIFPVBQESA-N 1 0 309.316 1.213 10 0 DDAERO C[NH2+][C@H](Cc1ncnn1C)c1cc(Cl)c(OC)c(OC)c1 ZINC000088581852 185258389 /nfs/dbraw/zinc/25/83/89/185258389.db2.gz LDYVNAALNWGTHN-LLVKDONJSA-N 1 0 310.785 1.989 10 0 DDAERO CCCc1nnsc1-c1nnc(CC[NH2+]CCOC)s1 ZINC000088824284 185266665 /nfs/dbraw/zinc/26/66/65/185266665.db2.gz BGSQVNMAIMJFOD-UHFFFAOYSA-N 1 0 313.452 1.788 10 0 DDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cnc(C(F)(F)F)nc2)C1 ZINC000253146401 282212095 /nfs/dbraw/zinc/21/20/95/282212095.db2.gz JWHCIEBGBLQCFI-GXSJLCMTSA-N 1 0 316.327 1.954 10 0 DDAERO COCCCS(=O)(=O)C[C@@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000081986026 192349599 /nfs/dbraw/zinc/34/95/99/192349599.db2.gz RZVZZESEYHDMNY-GFCCVEGCSA-N 1 0 317.407 1.155 10 0 DDAERO Cc1oc(CO)cc1S(=O)(=O)N(CC[NH+](C)C)CC(C)C ZINC000088892480 185269946 /nfs/dbraw/zinc/26/99/46/185269946.db2.gz HSNIIAFLLASXMG-UHFFFAOYSA-N 1 0 318.439 1.289 10 0 DDAERO CCCN(CC[NH+](C)C)S(=O)(=O)c1cc(CO)ccc1F ZINC000088895134 185270093 /nfs/dbraw/zinc/27/00/93/185270093.db2.gz HEUZQHFPGZAVNB-UHFFFAOYSA-N 1 0 318.414 1.280 10 0 DDAERO CC[C@@H](C(N)=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248662932 539272348 /nfs/dbraw/zinc/27/23/48/539272348.db2.gz YTYXNGNWWHIPDR-STQMWFEESA-N 1 0 310.467 1.469 10 0 DDAERO CC[NH2+][C@H](C)[C@@H](C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000081990711 192350887 /nfs/dbraw/zinc/35/08/87/192350887.db2.gz DQTSJHPLSRVFSB-GHMZBOCLSA-N 1 0 319.448 1.250 10 0 DDAERO Cc1cc(C)c([C@H]([NH3+])C[S@@](=O)CCS(C)(=O)=O)c(C)c1 ZINC000081991844 192351719 /nfs/dbraw/zinc/35/17/19/192351719.db2.gz VIFUSIKEHQRJJY-BFUOFWGJSA-N 1 0 317.476 1.405 10 0 DDAERO [NH3+]CCn1nnnc1CSc1cccc(Br)c1 ZINC000090249221 185288064 /nfs/dbraw/zinc/28/80/64/185288064.db2.gz VFPQXERJAYDANC-UHFFFAOYSA-N 1 0 314.212 1.687 10 0 DDAERO CCCN(C(=O)c1ccc(Br)cc1O)C1C[NH2+]C1 ZINC000090292926 185289736 /nfs/dbraw/zinc/28/97/36/185289736.db2.gz BFSDBIGKPODLJK-UHFFFAOYSA-N 1 0 313.195 1.979 10 0 DDAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NS(=O)(=O)c1cccc(Cl)c1 ZINC000090312921 185290717 /nfs/dbraw/zinc/29/07/17/185290717.db2.gz SEZNBHVHLBCHIN-TUAOUCFPSA-N 1 0 304.799 1.123 10 0 DDAERO O=C(Cc1cccc(Br)c1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090320808 185290969 /nfs/dbraw/zinc/29/09/69/185290969.db2.gz XDEPVWINWHFTPB-RYUDHWBXSA-N 1 0 309.207 1.669 10 0 DDAERO O=S(=O)(c1ccc2ccccc2c1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090321900 185290973 /nfs/dbraw/zinc/29/09/73/185290973.db2.gz QWYYPRPIIMHSKU-HUUCEWRRSA-N 1 0 302.399 1.680 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1C1=NS(=O)(=O)c2ccccc21 ZINC000090338862 185291740 /nfs/dbraw/zinc/29/17/40/185291740.db2.gz HSIMGTWMLLBZLQ-PWSUYJOCSA-N 1 0 305.403 1.065 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1S(=O)(=O)c1cccc(Cl)c1 ZINC000090336941 185291862 /nfs/dbraw/zinc/29/18/62/185291862.db2.gz OUOSSHNBQKQPNJ-GXFFZTMASA-N 1 0 314.838 1.959 10 0 DDAERO C[C@]1(C(=O)N(Cc2ccco2)CC(F)(F)F)COC[C@@H]1[NH3+] ZINC000090590736 185305405 /nfs/dbraw/zinc/30/54/05/185305405.db2.gz MWGWMDFVDLUVFT-JQWIXIFHSA-N 1 0 306.284 1.534 10 0 DDAERO CCC[NH2+]C[C@H](C)c1c(C)nn(CCS(C)(=O)=O)c1C ZINC000092323460 185312346 /nfs/dbraw/zinc/31/23/46/185312346.db2.gz QMGPGMAVTGNPJW-NSHDSACASA-N 1 0 301.456 1.648 10 0 DDAERO Cc1noc(C)c1[C@H](C)NS(=O)(=O)c1cc[nH+]c(NN)c1 ZINC000092339795 185313081 /nfs/dbraw/zinc/31/30/81/185313081.db2.gz IOJNLTFHXFWMLP-QMMMGPOBSA-N 1 0 311.367 1.012 10 0 DDAERO CCC[C@@H](C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1)[NH+](C)C ZINC000092698365 185333768 /nfs/dbraw/zinc/33/37/68/185333768.db2.gz JDCURENHMUBNLA-AWEZNQCLSA-N 1 0 317.393 1.240 10 0 DDAERO C[NH2+][C@@H]1C(=O)Nc2cc(-n3ccnc3)c(Br)cc21 ZINC000092776124 185339901 /nfs/dbraw/zinc/33/99/01/185339901.db2.gz LFZAWVUYOSRBQM-NSHDSACASA-N 1 0 307.151 1.847 10 0 DDAERO C[NH2+][C@@H]1C(=O)Nc2cc(-n3cccn3)c(Br)cc21 ZINC000092776101 185340004 /nfs/dbraw/zinc/34/00/04/185340004.db2.gz ZZIRFSYLBUKFOL-NSHDSACASA-N 1 0 307.151 1.847 10 0 DDAERO CCC(CC)[C@H](C(=O)N[C@@H]1CCC[NH2+][C@H]1C)N1CCOCC1 ZINC000248854013 282256218 /nfs/dbraw/zinc/25/62/18/282256218.db2.gz KLOZEWNGGMBKCN-NUEKZKHPSA-N 1 0 311.470 1.380 10 0 DDAERO CCn1cnc(S(=O)(=O)NC2(C[NH3+])CCCCCC2)c1 ZINC000092889759 185347915 /nfs/dbraw/zinc/34/79/15/185347915.db2.gz LZQPQJYDPNWRAW-UHFFFAOYSA-N 1 0 300.428 1.233 10 0 DDAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(Cl)c1-n1cncn1 ZINC000092952720 185350379 /nfs/dbraw/zinc/35/03/79/185350379.db2.gz SFLIRBQIVLRVDO-VHSXEESVSA-N 1 0 305.769 1.857 10 0 DDAERO CN(C)c1ncc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C(F)(F)F)cn1 ZINC000299741758 529812287 /nfs/dbraw/zinc/81/22/87/529812287.db2.gz FWBOTXAZGFOSHU-NXEZZACHSA-N 1 0 317.315 1.221 10 0 DDAERO COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)cn1 ZINC000106903077 185461638 /nfs/dbraw/zinc/46/16/38/185461638.db2.gz SJSHOESZWYIMON-MRXNPFEDSA-N 1 0 313.401 1.879 10 0 DDAERO COc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1O ZINC000111244466 185563080 /nfs/dbraw/zinc/56/30/80/185563080.db2.gz 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/nfs/dbraw/zinc/27/02/71/183270271.db2.gz LNAFCUXOGDGKMU-UWVGGRQHSA-N 1 0 307.423 1.205 10 0 DDAERO CC[C@H](C)N(CCOC)S(=O)(=O)c1ccccc1C[NH3+] ZINC000042589085 183288638 /nfs/dbraw/zinc/28/86/38/183288638.db2.gz KITKRXNTJVDTCO-LBPRGKRZSA-N 1 0 300.424 1.581 10 0 DDAERO [NH3+]CCc1cc2c(cc1OCCOCC(F)(F)F)OCO2 ZINC000042877745 183316153 /nfs/dbraw/zinc/31/61/53/183316153.db2.gz JNAXSKGDBCEQBG-UHFFFAOYSA-N 1 0 307.268 1.874 10 0 DDAERO CC[C@H]([NH3+])[C@@H](c1cccc(F)c1)N1CCS(=O)(=O)CC1 ZINC000042971836 183324140 /nfs/dbraw/zinc/32/41/40/183324140.db2.gz CNSQNWAVTSYRRC-UONOGXRCSA-N 1 0 300.399 1.335 10 0 DDAERO C[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)N(CCO)CCO ZINC000043021071 183329476 /nfs/dbraw/zinc/32/94/76/183329476.db2.gz IGGJWPZPGMWHQC-MFKMUULPSA-N 1 0 317.227 1.124 10 0 DDAERO CS(=O)(=O)Nc1ccc(Cl)c(N[C@@H]2CCC[NH2+]C2)c1 ZINC000043326369 183355170 /nfs/dbraw/zinc/35/51/70/183355170.db2.gz UEWLAMBQFYHTQY-SNVBAGLBSA-N 1 0 303.815 1.875 10 0 DDAERO CN([C@@H](C[NH3+])c1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043390379 183358089 /nfs/dbraw/zinc/35/80/89/183358089.db2.gz IGLOMGXVCSOPPO-MFKMUULPSA-N 1 0 320.817 1.598 10 0 DDAERO CC(C)C[N@H+](CCN(C)C)[C@H]1CC2(CC[C@@H]1O)OCCO2 ZINC000044164539 183397123 /nfs/dbraw/zinc/39/71/23/183397123.db2.gz BNMGDLFRXQANPO-GJZGRUSLSA-N 1 0 300.443 1.163 10 0 DDAERO CN(CC[NH+](C)C)C(=O)c1ccc(Br)c(N)c1 ZINC000104189833 193990400 /nfs/dbraw/zinc/99/04/00/193990400.db2.gz IKKWHUHJVJLAJY-UHFFFAOYSA-N 1 0 300.200 1.665 10 0 DDAERO COc1ccc(C(=O)N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)cc1F ZINC000284724091 218150183 /nfs/dbraw/zinc/15/01/83/218150183.db2.gz SRIALDRWRFZRJA-STQMWFEESA-N 1 0 310.369 1.625 10 0 DDAERO CC(C)NC(=O)CC[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000105803763 194131719 /nfs/dbraw/zinc/13/17/19/194131719.db2.gz DRXJGNFTTKEQRZ-AWEZNQCLSA-N 1 0 305.426 1.292 10 0 DDAERO O[C@@H](Cc1ccccc1)C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105805399 194133667 /nfs/dbraw/zinc/13/36/67/194133667.db2.gz HYLSVFAABNAERT-KRWDZBQOSA-N 1 0 312.417 1.957 10 0 DDAERO C=CC(=O)NCc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC)C2)cc1 ZINC000105807809 194134150 /nfs/dbraw/zinc/13/41/50/194134150.db2.gz ZTJYATWRABEUPI-MRXNPFEDSA-N 1 0 315.417 1.703 10 0 DDAERO Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000105871819 194150859 /nfs/dbraw/zinc/15/08/59/194150859.db2.gz CDMNZAUUKWUKIC-DZGCQCFKSA-N 1 0 313.405 1.196 10 0 DDAERO COCC[NH2+]CC(=O)N[C@H](C)c1ccccc1Br ZINC000105852362 194147136 /nfs/dbraw/zinc/14/71/36/194147136.db2.gz SZKCGVGRRWDARS-SNVBAGLBSA-N 1 0 315.211 1.862 10 0 DDAERO COCC[N@@H+]1CCN(CCC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC000105902837 194166600 /nfs/dbraw/zinc/16/66/00/194166600.db2.gz RJWSFSAGXUZESK-CQSZACIVSA-N 1 0 323.412 1.807 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(CCC(=O)Nc2ccccc2)C[C@H]1C ZINC000105902550 194167505 /nfs/dbraw/zinc/16/75/05/194167505.db2.gz SGFHSSJPTJSYAP-HUUCEWRRSA-N 1 0 305.422 1.402 10 0 DDAERO COC(=O)[C@@H](C)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915363 194169491 /nfs/dbraw/zinc/16/94/91/194169491.db2.gz XQMSLHGUCWYOAZ-PBHICJAKSA-N 1 0 320.433 1.583 10 0 DDAERO C[NH+](C)C[C@@H]1CN(CC(=O)Nc2cc(F)ccc2F)CCO1 ZINC000105925089 194170282 /nfs/dbraw/zinc/17/02/82/194170282.db2.gz LTNORAOASZCFMN-GFCCVEGCSA-N 1 0 313.348 1.166 10 0 DDAERO CN(C[C@@H]1CCCCO1)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000048950392 183698616 /nfs/dbraw/zinc/69/86/16/183698616.db2.gz PEADJHHMNFPXDQ-KBPBESRZSA-N 1 0 304.456 1.349 10 0 DDAERO CCCSc1nsc(NC(=O)CN2CC[C@@H](C[NH3+])C2)n1 ZINC000050248886 183779337 /nfs/dbraw/zinc/77/93/37/183779337.db2.gz YVZLTCYDUCAPDD-VIFPVBQESA-N 1 0 315.468 1.259 10 0 DDAERO Clc1cccc(OCc2nc(CN3CC[NH2+]CC3)no2)c1 ZINC000109473064 194267269 /nfs/dbraw/zinc/26/72/69/194267269.db2.gz YHIQHKHGIUPDKK-UHFFFAOYSA-N 1 0 308.769 1.707 10 0 DDAERO CCC[C@@H](C(N)=S)[NH+]1CCN(C(=O)OCC(C)C)CC1 ZINC000109466590 194267397 /nfs/dbraw/zinc/26/73/97/194267397.db2.gz KILSRVAVOPHIIS-LBPRGKRZSA-N 1 0 301.456 1.851 10 0 DDAERO CC(C)[NH2+]CCCS(=O)(=O)N[C@H]1CCc2ccccc2C1 ZINC000051633260 183832656 /nfs/dbraw/zinc/83/26/56/183832656.db2.gz LCYKCCZFOBUDGU-INIZCTEOSA-N 1 0 310.463 1.851 10 0 DDAERO [NH3+]CCc1ccc(S(=O)(=O)N2CCC[C@H]2CCCO)s1 ZINC000052763908 183871778 /nfs/dbraw/zinc/87/17/78/183871778.db2.gz SFJQQKPTKNUFPE-NSHDSACASA-N 1 0 318.464 1.175 10 0 DDAERO CCS(=O)(=O)N1CCC([NH2+]Cc2cc(C)n(C)c2C)CC1 ZINC000052789779 183873107 /nfs/dbraw/zinc/87/31/07/183873107.db2.gz FKBAKZBQEKFRTE-UHFFFAOYSA-N 1 0 313.467 1.546 10 0 DDAERO O=S1(=O)CCC([NH2+]Cc2[nH]nnc2-c2ccccc2)CC1 ZINC000110924725 194370511 /nfs/dbraw/zinc/37/05/11/194370511.db2.gz HPOGRPKHFLEDHH-UHFFFAOYSA-N 1 0 306.391 1.139 10 0 DDAERO [NH3+]C[C@@]1(Cc2sccc2Br)CCS(=O)(=O)C1 ZINC000054635245 183946481 /nfs/dbraw/zinc/94/64/81/183946481.db2.gz RJWMTVVXKXXFEG-JTQLQIEISA-N 1 0 324.265 1.817 10 0 DDAERO CN(C[C@H]1CCCOC1)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000111178843 194399648 /nfs/dbraw/zinc/39/96/48/194399648.db2.gz KEWISQVBEUFELU-KGLIPLIRSA-N 1 0 304.456 1.207 10 0 DDAERO CCOCCOC[C@H](O)C[NH2+]CCc1cc(F)cc(F)c1 ZINC000060718400 184155029 /nfs/dbraw/zinc/15/50/29/184155029.db2.gz LFJIYJYVOKUBSP-OAHLLOKOSA-N 1 0 303.349 1.511 10 0 DDAERO CCNS(=O)(=O)c1ccccc1NC(=O)[C@@H](C)C[NH2+]CC ZINC000061232476 184166674 /nfs/dbraw/zinc/16/66/74/184166674.db2.gz SSNOXIOYVJJQAC-NSHDSACASA-N 1 0 313.423 1.169 10 0 DDAERO O=C(CN1CCC[NH2+]CC1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000061271130 184167071 /nfs/dbraw/zinc/16/70/71/184167071.db2.gz JTRGQRCEPMZFGH-RYUDHWBXSA-N 1 0 307.360 1.519 10 0 DDAERO CN(C)c1c(Cl)cccc1NC(=O)CN1CCC[NH2+]CC1 ZINC000061270116 184167364 /nfs/dbraw/zinc/16/73/64/184167364.db2.gz DAVAFJHHENCZLT-UHFFFAOYSA-N 1 0 310.829 1.640 10 0 DDAERO CO[C@H]1C[NH2+][C@H](C(=O)NCc2ccccc2C(F)(F)F)C1 ZINC000061626867 184178945 /nfs/dbraw/zinc/17/89/45/184178945.db2.gz FFPZNQFTYRKVEQ-PWSUYJOCSA-N 1 0 302.296 1.699 10 0 DDAERO C[C@@H](CCNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)c1ccccc1 ZINC000061911025 184194537 /nfs/dbraw/zinc/19/45/37/184194537.db2.gz PUTYSDUCDDCHJB-GXTWGEPZSA-N 1 0 312.435 1.058 10 0 DDAERO [NH3+][C@@H]1CCC[C@@H](CC(=O)N2CCN(CC(F)(F)F)CC2)C1 ZINC000061950904 184198507 /nfs/dbraw/zinc/19/85/07/184198507.db2.gz SNLBOGMZABFLSL-VXGBXAGGSA-N 1 0 307.360 1.601 10 0 DDAERO NC(=O)[C@@]1(Nc2ccccc2Br)CC[N@@H+](C2CC2)C1 ZINC000061991014 184199817 /nfs/dbraw/zinc/19/98/17/184199817.db2.gz WCVKLUCDCNXDIL-CQSZACIVSA-N 1 0 324.222 1.953 10 0 DDAERO CN(CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21)C1CC1 ZINC000061993998 184200594 /nfs/dbraw/zinc/20/05/94/184200594.db2.gz SOWDKNYVXRXIKY-CQSZACIVSA-N 1 0 312.410 1.728 10 0 DDAERO C[N@H+](CCNC(=O)c1cc(Br)cnc1N)C1CC1 ZINC000062011860 184201089 /nfs/dbraw/zinc/20/10/89/184201089.db2.gz OOAHQCPNSAMCIT-UHFFFAOYSA-N 1 0 313.199 1.250 10 0 DDAERO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000062011130 184201153 /nfs/dbraw/zinc/20/11/53/184201153.db2.gz AGFRFYNDOLLJGC-NSHDSACASA-N 1 0 309.797 1.291 10 0 DDAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N(C)CCCOC)cc1 ZINC000062037877 184202784 /nfs/dbraw/zinc/20/27/84/184202784.db2.gz ZYQMSBAJTWAIIG-UHFFFAOYSA-N 1 0 314.451 1.843 10 0 DDAERO Cc1c(N)cccc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000062069416 184204068 /nfs/dbraw/zinc/20/40/68/184204068.db2.gz UEWWARBDAWGVFG-GFCCVEGCSA-N 1 0 311.451 1.587 10 0 DDAERO CNc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000062072889 184204464 /nfs/dbraw/zinc/20/44/64/184204464.db2.gz YPOKTHNZOKWIBL-ZDUSSCGKSA-N 1 0 311.451 1.739 10 0 DDAERO COc1ccc(CNS(=O)(=O)c2ccc(C[NH3+])s2)cn1 ZINC000062072849 184204484 /nfs/dbraw/zinc/20/44/84/184204484.db2.gz LYZIQFQLWXDOLP-UHFFFAOYSA-N 1 0 313.404 1.089 10 0 DDAERO C[C@H](CNc1ccc(S(C)(=O)=O)cc1N)C[NH+]1CCCC1 ZINC000062069923 184204566 /nfs/dbraw/zinc/20/45/66/184204566.db2.gz AMMFWBXFJBYWJS-GFCCVEGCSA-N 1 0 311.451 1.816 10 0 DDAERO CC(C)(C)[NH2+]Cc1ccc(O[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000062728778 184250615 /nfs/dbraw/zinc/25/06/15/184250615.db2.gz MQZVESLRNLTSRD-UONOGXRCSA-N 1 0 313.419 1.111 10 0 DDAERO CCCN(CCC)S(=O)(=O)N1CC[NH2+]Cc2ccccc21 ZINC000062818673 184253931 /nfs/dbraw/zinc/25/39/31/184253931.db2.gz ZOXAHQZCYSVTHT-UHFFFAOYSA-N 1 0 311.451 1.963 10 0 DDAERO C[C@H]1CN[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2F)C[NH2+]1 ZINC000062815763 184254345 /nfs/dbraw/zinc/25/43/45/184254345.db2.gz KTCLBWQDHRPAJC-CPCISQLKSA-N 1 0 305.275 1.733 10 0 DDAERO CC[C@]1(C(=O)Nc2ccc(S(C)(=O)=O)nc2)CCC[NH2+]C1 ZINC000062854764 184256365 /nfs/dbraw/zinc/25/63/65/184256365.db2.gz HEZBPGZIIRAIQI-AWEZNQCLSA-N 1 0 311.407 1.203 10 0 DDAERO CC[C@@]1(C(=O)N2CCN(c3nccs3)CC2)CCC[NH2+]C1 ZINC000062852301 184256620 /nfs/dbraw/zinc/25/66/20/184256620.db2.gz WTDMAXSMAWFXLO-OAHLLOKOSA-N 1 0 308.451 1.572 10 0 DDAERO [NH3+][C@@H]1CCCc2nc(N3CC[C@H](N4CCOCC4)C3)sc21 ZINC000062975241 184263362 /nfs/dbraw/zinc/26/33/62/184263362.db2.gz UWPLYYDYCWZYIV-NWDGAFQWSA-N 1 0 308.451 1.390 10 0 DDAERO CCO[C@H](C[NH3+])CCSc1ccc(S(C)(=O)=O)cc1 ZINC000063131528 184272248 /nfs/dbraw/zinc/27/22/48/184272248.db2.gz HNPWCBCRXDPLCV-NSHDSACASA-N 1 0 303.449 1.936 10 0 DDAERO CCOC(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000063175324 184276088 /nfs/dbraw/zinc/27/60/88/184276088.db2.gz VUODYAMJWZVEFY-STQMWFEESA-N 1 0 312.391 1.021 10 0 DDAERO O=C(CN1CCOCC1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000065288732 184323463 /nfs/dbraw/zinc/32/34/63/184323463.db2.gz DOGRNIYCOVEOBT-MRXNPFEDSA-N 1 0 309.454 1.186 10 0 DDAERO CCC[NH2+]CC(=O)Nc1cccc(C(=O)NCCCOC)c1 ZINC000066216737 184397149 /nfs/dbraw/zinc/39/71/49/184397149.db2.gz YCIGYSWUCZBMOJ-UHFFFAOYSA-N 1 0 307.394 1.391 10 0 DDAERO COCC[N@@H+]1CCN([C@@H](C(=O)OC)c2ccccc2C)C[C@@H]1C ZINC000248629621 285050713 /nfs/dbraw/zinc/05/07/13/285050713.db2.gz REBHYLOSOPKTGO-DOTOQJQBSA-N 1 0 320.433 1.862 10 0 DDAERO Cn1cc(Br)cc1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158576299 197284917 /nfs/dbraw/zinc/28/49/17/197284917.db2.gz MBZGDULFTMBCGR-CYBMUJFWSA-N 1 0 312.211 1.613 10 0 DDAERO CNC(=O)CCCN(C)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000154082802 196937619 /nfs/dbraw/zinc/93/76/19/196937619.db2.gz FHZVNYYWYCFIAW-OAHLLOKOSA-N 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DDAERO CC(=O)Nc1ccc(NC(=O)[C@@]2(C)COC[C@H]2[NH3+])cc1Cl ZINC000090586661 185305313 /nfs/dbraw/zinc/30/53/13/185305313.db2.gz QBNQDOJBNAMGRT-OCCSQVGLSA-N 1 0 311.769 1.601 10 0 DDAERO CN(CCOc1ccc(Cl)cc1)C(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090590513 185305432 /nfs/dbraw/zinc/30/54/32/185305432.db2.gz KTYWISDPARXTTM-UKRRQHHQSA-N 1 0 312.797 1.541 10 0 DDAERO CCS(=O)(=O)[C@@H]1CSCCN1Cc1cc(NC)cc[nH+]1 ZINC000092419472 185317225 /nfs/dbraw/zinc/31/72/25/185317225.db2.gz KCEUROVIFKTTBL-CYBMUJFWSA-N 1 0 315.464 1.433 10 0 DDAERO CCOCCCN(CC(F)(F)F)C(=O)C[NH2+]CCOC ZINC000092495883 185322239 /nfs/dbraw/zinc/32/22/39/185322239.db2.gz CQQHZFZRTQXCPZ-UHFFFAOYSA-N 1 0 300.321 1.040 10 0 DDAERO CC[C@@H]1CN(C(=O)/C=C\c2cncc(F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000255311515 282246263 /nfs/dbraw/zinc/24/62/63/282246263.db2.gz AVIDJGOLVBINFR-WSXGPOFGSA-N 1 0 321.396 1.538 10 0 DDAERO Cc1nc(C[C@H]2CCC[N@H+](Cc3cc(C(N)=O)cs3)C2)no1 ZINC000092814270 185343706 /nfs/dbraw/zinc/34/37/06/185343706.db2.gz 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[NH3+]C[C@H](c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000093167417 193211110 /nfs/dbraw/zinc/21/11/10/193211110.db2.gz PCVNOFYMFXHCFJ-CMPLNLGQSA-N 1 0 318.236 1.926 10 0 DDAERO O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000262517875 203317002 /nfs/dbraw/zinc/31/70/02/203317002.db2.gz KKQXFMZFGJIZER-RDBSUJKOSA-N 1 0 324.446 1.541 10 0 DDAERO COc1cccc(C2(CNC(=O)[C@@H]3C[C@H](O)C[NH2+]3)CCCC2)c1 ZINC000262529567 203321142 /nfs/dbraw/zinc/32/11/42/203321142.db2.gz PHKKZJUYOFJFPX-HOCLYGCPSA-N 1 0 318.417 1.346 10 0 DDAERO COC(=O)CCC[NH2+][C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000093207478 193216309 /nfs/dbraw/zinc/21/63/09/193216309.db2.gz KUTGINJKAHSABM-NWDGAFQWSA-N 1 0 300.399 1.975 10 0 DDAERO NC(=O)N[C@H](CC(=O)N[C@@H]1CCC[C@H]1C[NH3+])c1cccs1 ZINC000262614482 203351625 /nfs/dbraw/zinc/35/16/25/203351625.db2.gz GEXNAVBEESGAMD-HBNTYKKESA-N 1 0 310.423 1.091 10 0 DDAERO Cc1cc(S(N)(=O)=O)cc(N[C@@H](C)C[C@@H]2CCC[NH2+]2)c1C ZINC000093463483 193254893 /nfs/dbraw/zinc/25/48/93/193254893.db2.gz LBVADKITJWSTEG-AAEUAGOBSA-N 1 0 311.451 1.893 10 0 DDAERO CS(=O)(=O)[C@@H]1CSCCN1c1cccc(F)c1C[NH3+] ZINC000093395555 193243716 /nfs/dbraw/zinc/24/37/16/193243716.db2.gz BJKRFIVHRPVVLV-GFCCVEGCSA-N 1 0 304.412 1.208 10 0 DDAERO CC[C@@H](NC(=O)C[NH2+]C)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000262726458 203394557 /nfs/dbraw/zinc/39/45/57/203394557.db2.gz ASMKDKBCPAVBCB-GDBMZVCRSA-N 1 0 301.394 1.290 10 0 DDAERO CN(C)c1nnc(SCC[C@@H]2CCC[C@]2(O)C[NH3+])s1 ZINC000093628276 193276762 /nfs/dbraw/zinc/27/67/62/193276762.db2.gz QTMLKAJSEGANFT-CABZTGNLSA-N 1 0 302.469 1.576 10 0 DDAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@H]1CCSc1nncn1C ZINC000093629254 193276769 /nfs/dbraw/zinc/27/67/69/193276769.db2.gz RNEKRAOGOHEORV-SMDDNHRTSA-N 1 0 311.455 1.321 10 0 DDAERO CC(C)[N@H+](CCC(N)=S)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697300 193292531 /nfs/dbraw/zinc/29/25/31/193292531.db2.gz PJDWKDGMAWQNLW-GFCCVEGCSA-N 1 0 321.512 1.045 10 0 DDAERO CCC[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H](C)OCC ZINC000093700380 193293980 /nfs/dbraw/zinc/29/39/80/193293980.db2.gz ZBWWMOXWCRUIMR-QLFBSQMISA-N 1 0 320.499 1.841 10 0 DDAERO COc1ccccc1[C@@H]([NH3+])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093699776 193294108 /nfs/dbraw/zinc/29/41/08/193294108.db2.gz GAPPFDJYETTXAC-JSGCOSHPSA-N 1 0 312.435 1.757 10 0 DDAERO CCC(CC)([C@H](N)C[C@@H]1CCCN(S(C)(=O)=O)C1)[NH+](C)C ZINC000093700731 193294534 /nfs/dbraw/zinc/29/45/34/193294534.db2.gz XFDPAPCOZQKHHS-UONOGXRCSA-N 1 0 319.515 1.496 10 0 DDAERO COCC[NH2+]C[C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000093701576 193294802 /nfs/dbraw/zinc/29/48/02/193294802.db2.gz WJSCMOZYJNCXLJ-LSDHHAIUSA-N 1 0 320.499 1.556 10 0 DDAERO COCC[NH2+]C[C@@H](C)CC[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702327 193295613 /nfs/dbraw/zinc/29/56/13/193295613.db2.gz KRFMZMMUSOQALS-KBPBESRZSA-N 1 0 306.472 1.310 10 0 DDAERO CC(C)[NH2+][C@]1(C(N)=O)CCC[C@@H](Sc2nccc(=O)[nH]2)C1 ZINC000093776226 193305311 /nfs/dbraw/zinc/30/53/11/193305311.db2.gz AFVQCFVKAVJYAQ-QMTHXVAHSA-N 1 0 310.423 1.027 10 0 DDAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@@H](Sc2cc(C)nn2C)C1 ZINC000093779198 193305616 /nfs/dbraw/zinc/30/56/16/193305616.db2.gz BYDWYUJEAAVZBA-IUODEOHRSA-N 1 0 310.467 1.987 10 0 DDAERO CC(C)(C)C[C@@H](CO)NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262774180 203401481 /nfs/dbraw/zinc/40/14/81/203401481.db2.gz MSFFPPXUZXMZBY-STQMWFEESA-N 1 0 308.426 1.335 10 0 DDAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2ccc(C(=O)NC3CC3)cc2)C1 ZINC000093987514 193335354 /nfs/dbraw/zinc/33/53/54/193335354.db2.gz QVFKFQPUGDTRDC-CVEARBPZSA-N 1 0 315.417 1.791 10 0 DDAERO O=C1C[NH2+]CCCN1Cc1cc(F)cc(Br)c1 ZINC000094002062 193337714 /nfs/dbraw/zinc/33/77/14/193337714.db2.gz UIMBDIZUDZUCLO-UHFFFAOYSA-N 1 0 301.159 1.910 10 0 DDAERO CCN[C@]1(C(=O)OCC)CC[C@@H]([N@H+](CC)CCOCC)C1 ZINC000093830658 193315045 /nfs/dbraw/zinc/31/50/45/193315045.db2.gz AYBOSIPWSFKXDT-GDBMZVCRSA-N 1 0 300.443 1.809 10 0 DDAERO C[NH2+][C@]1(C(N)=O)CC[C@H](Sc2nc3cc(C)ccc3[nH]2)C1 ZINC000093852866 193318261 /nfs/dbraw/zinc/31/82/61/193318261.db2.gz NKQSGMOKVRSYAO-ZUZCIYMTSA-N 1 0 304.419 1.959 10 0 DDAERO C[NH2+][C@@H](Cc1cc(Cl)ccc1OC)[C@@H]1CN(C)CCN1C ZINC000093894535 193325150 /nfs/dbraw/zinc/32/51/50/193325150.db2.gz JKJIRLKZYONJQV-GJZGRUSLSA-N 1 0 311.857 1.725 10 0 DDAERO CCCN1CCO[C@@H]([C@@H](CCCS(=O)(=O)CC)[NH2+]CC)C1 ZINC000093920540 193328030 /nfs/dbraw/zinc/32/80/30/193328030.db2.gz RZKVHEFQINXZQU-HUUCEWRRSA-N 1 0 320.499 1.290 10 0 DDAERO CCc1nn(C)c(C[C@H]([NH2+]C)[C@H]2CN(CC)CCO2)c1Cl ZINC000093914189 193328256 /nfs/dbraw/zinc/32/82/56/193328256.db2.gz KBJWZHYERWZHGY-GXTWGEPZSA-N 1 0 314.861 1.487 10 0 DDAERO Cc1nn(C)c(C[C@@H]([NH3+])[C@H]2CN(C(C)C)CCO2)c1Cl ZINC000093926102 193328899 /nfs/dbraw/zinc/32/88/99/193328899.db2.gz RPTRSPWJQNSBAT-DGCLKSJQSA-N 1 0 300.834 1.361 10 0 DDAERO Cc1noc(C)c1S(=O)(=O)N(CC1CC[NH2+]CC1)C(C)C ZINC000094024143 193339421 /nfs/dbraw/zinc/33/94/21/193339421.db2.gz FIYFIVGYQKQNNA-UHFFFAOYSA-N 1 0 315.439 1.690 10 0 DDAERO [NH3+]C1(CC(=O)N2CCN(C(=O)c3cccs3)CC2)CCC1 ZINC000094295118 193356729 /nfs/dbraw/zinc/35/67/29/193356729.db2.gz NBCPKBTVIBMQLJ-UHFFFAOYSA-N 1 0 307.419 1.304 10 0 DDAERO CN(CCS(C)(=O)=O)[C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000094297717 193356884 /nfs/dbraw/zinc/35/68/84/193356884.db2.gz IWPMKBASJRAXRK-HNNXBMFYSA-N 1 0 312.479 1.960 10 0 DDAERO CCC[NH2+]CC1(CN(C)CCS(C)(=O)=O)CCCCC1 ZINC000094300225 193357571 /nfs/dbraw/zinc/35/75/71/193357571.db2.gz GKPJJLUEGHXUJD-UHFFFAOYSA-N 1 0 304.500 1.913 10 0 DDAERO Cc1nc(N(C)CCS(C)(=O)=O)sc1C[NH2+]C1CC1 ZINC000094301201 193358730 /nfs/dbraw/zinc/35/87/30/193358730.db2.gz OFOPQSWKQAXQCJ-UHFFFAOYSA-N 1 0 303.453 1.184 10 0 DDAERO Nc1c2ccc(C(F)(F)F)nc2sc1C(=O)NCC[NH3+] ZINC000094338352 193362063 /nfs/dbraw/zinc/36/20/63/193362063.db2.gz RDCAGTYMYIADRW-UHFFFAOYSA-N 1 0 304.297 1.586 10 0 DDAERO CN(C)S(=O)(=O)c1ccc(N(C)CC2CC[NH2+]CC2)cc1 ZINC000094043012 193340695 /nfs/dbraw/zinc/34/06/95/193340695.db2.gz DPEGDKHTNHDLEX-UHFFFAOYSA-N 1 0 311.451 1.373 10 0 DDAERO CC[NH+](CC)C[C@H](C)Nc1cc(N)cc(S(N)(=O)=O)c1C ZINC000094360144 193365146 /nfs/dbraw/zinc/36/51/46/193365146.db2.gz RCSDBWZVXQNDFN-JTQLQIEISA-N 1 0 314.455 1.367 10 0 DDAERO [NH3+][C@H]1COC[C@H]1c1nc(-c2ncc(Cl)cc2Cl)no1 ZINC000094199205 193348873 /nfs/dbraw/zinc/34/88/73/193348873.db2.gz RIQMVZKOOYCQRD-SVRRBLITSA-N 1 0 301.133 1.880 10 0 DDAERO CS(=O)(=O)[C@@H]1CCC[C@@H](N(CCC[NH3+])C2CCCC2)C1 ZINC000094634614 193385965 /nfs/dbraw/zinc/38/59/65/193385965.db2.gz PVUPVRUYUAFXGI-HUUCEWRRSA-N 1 0 302.484 1.936 10 0 DDAERO CC(C)C[C@@H](C[NH3+])CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000094701503 193392551 /nfs/dbraw/zinc/39/25/51/193392551.db2.gz ROSHGZFZMFEEGK-JTQLQIEISA-N 1 0 305.348 1.734 10 0 DDAERO CC[NH2+][C@H](Cc1ccc(F)cc1Cl)[C@@H]1CN2CCN1CC2 ZINC000094510157 193375873 /nfs/dbraw/zinc/37/58/73/193375873.db2.gz FCSUHPSOFNEJKI-CVEARBPZSA-N 1 0 311.832 2.000 10 0 DDAERO C[C@@H]1C[C@H]([NH3+])CN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000094550297 193378782 /nfs/dbraw/zinc/37/87/82/193378782.db2.gz YMPBYGVDMXATLX-BDAKNGLRSA-N 1 0 312.420 1.049 10 0 DDAERO C[NH2+][C@H](C)c1cccc(S(=O)(=O)NC[C@@]2(C)CCCO2)c1 ZINC000094805074 193399649 /nfs/dbraw/zinc/39/96/49/193399649.db2.gz LZEHISKVUZQIIQ-IUODEOHRSA-N 1 0 312.435 1.814 10 0 DDAERO COc1ccc(NS(=O)(=O)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000019806955 182152479 /nfs/dbraw/zinc/15/24/79/182152479.db2.gz PURRIHLUHYKWKK-LLVKDONJSA-N 1 0 300.380 1.198 10 0 DDAERO O=C(Nc1ccccc1I)[C@H]1CCC[NH2+]1 ZINC000020362724 182211916 /nfs/dbraw/zinc/21/19/16/182211916.db2.gz NRBPGAUBKAFRTC-SNVBAGLBSA-N 1 0 316.142 1.982 10 0 DDAERO C[C@H]1CN(C(=O)CCc2ccco2)C[C@H](C)N1CC[NH+](C)C ZINC000036217494 182809238 /nfs/dbraw/zinc/80/92/38/182809238.db2.gz RMFOFFILJNRRNX-GJZGRUSLSA-N 1 0 307.438 1.695 10 0 DDAERO CO[C@H]1C[NH2+]C[C@H]1NC(=O)c1cc(Br)ccc1F ZINC000036235543 182810525 /nfs/dbraw/zinc/81/05/25/182810525.db2.gz STRROQHTCGXFTR-MNOVXSKESA-N 1 0 317.158 1.305 10 0 DDAERO NC(=O)C1CC[NH+](Cc2c(N)cccc2Br)CC1 ZINC000037401836 182886629 /nfs/dbraw/zinc/88/66/29/182886629.db2.gz OZPSEYJUGFIOHA-UHFFFAOYSA-N 1 0 312.211 1.729 10 0 DDAERO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1F ZINC000070149382 248204926 /nfs/dbraw/zinc/20/49/26/248204926.db2.gz RTNHYSJQXWZECL-VIFPVBQESA-N 1 0 322.352 1.996 10 0 DDAERO Cc1cc(C)c(C(N)=S)c(NCCCN2CCOCC2)[nH+]1 ZINC000040510206 183086306 /nfs/dbraw/zinc/08/63/06/183086306.db2.gz KXKOTLGAOXGQLN-UHFFFAOYSA-N 1 0 308.451 1.467 10 0 DDAERO CO[C@H]1C[NH2+][C@H](C(=O)N2CCc3sccc3[C@@H]2C2CC2)C1 ZINC000040634964 183112307 /nfs/dbraw/zinc/11/23/07/183112307.db2.gz VKJWBUVHHLCXST-ZLDLUXBVSA-N 1 0 306.431 1.961 10 0 DDAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(Cc2ccco2)CC(F)(F)F)C1 ZINC000040634737 183112333 /nfs/dbraw/zinc/11/23/33/183112333.db2.gz RKKUALLXQRUIMX-GHMZBOCLSA-N 1 0 306.284 1.547 10 0 DDAERO Cc1n[nH]cc1S(=O)(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040670923 183115271 /nfs/dbraw/zinc/11/52/71/183115271.db2.gz ZKWKPFRVNAVEAX-SMDDNHRTSA-N 1 0 314.455 1.507 10 0 DDAERO CC(C)([NH2+]C[C@@H](O)c1cccc(Br)c1)C(N)=O ZINC000040674958 183116719 /nfs/dbraw/zinc/11/67/19/183116719.db2.gz VXAKPZUERBNASM-SNVBAGLBSA-N 1 0 301.184 1.336 10 0 DDAERO C[NH2+]C[C@H]1CCCN(Cc2csc(CC(=O)N(C)C)n2)C1 ZINC000040600736 183107782 /nfs/dbraw/zinc/10/77/82/183107782.db2.gz LJVYZBJTMMWBJF-GFCCVEGCSA-N 1 0 310.467 1.205 10 0 DDAERO CNS(=O)(=O)c1ccc(NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000040623795 183110113 /nfs/dbraw/zinc/11/01/13/183110113.db2.gz QXTVRUVRJYSOJZ-ZDUSSCGKSA-N 1 0 311.451 1.737 10 0 DDAERO CC(C)N1C[C@H]2CCC[C@@H](C1)C2[NH2+]C1CCS(=O)(=O)CC1 ZINC000040784420 183133856 /nfs/dbraw/zinc/13/38/56/183133856.db2.gz IWRAKMXGUMOWPP-MZBDJJRSSA-N 1 0 314.495 1.662 10 0 DDAERO Cc1n[nH]c(C)c1S(=O)(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000040809477 183136848 /nfs/dbraw/zinc/13/68/48/183136848.db2.gz PRKNVXICWAFHCP-CYBMUJFWSA-N 1 0 314.455 1.425 10 0 DDAERO COC(=O)c1c2c(sc1NC(=O)[C@H]1CCC[NH2+]C1)CCC2 ZINC000040858822 183142913 /nfs/dbraw/zinc/14/29/13/183142913.db2.gz SSPQMFFDGUQKQO-VIFPVBQESA-N 1 0 308.403 1.962 10 0 DDAERO O=C(C[C@H]1CCC[NH2+]1)Nc1cc(-n2cnnn2)ccc1Cl ZINC000042166941 183237863 /nfs/dbraw/zinc/23/78/63/183237863.db2.gz OQJGRUPCJCXDID-SECBINFHSA-N 1 0 306.757 1.396 10 0 DDAERO COCCCNC(=O)[C@H](C)Oc1ccc(C[NH3+])cc1Cl ZINC000042303035 183252645 /nfs/dbraw/zinc/25/26/45/183252645.db2.gz SYVKHRUUHCXOPF-JTQLQIEISA-N 1 0 300.786 1.719 10 0 DDAERO CC(C)[NH2+]CCN1c2cccc(Br)c2C(=O)C1=O ZINC000042410204 183265051 /nfs/dbraw/zinc/26/50/51/183265051.db2.gz CAQGJLKWYXVQQC-UHFFFAOYSA-N 1 0 311.179 1.976 10 0 DDAERO COC[C@H](O)C[N@H+](C)CCC(=O)Nc1ccc(Cl)cc1N ZINC000042483144 183275591 /nfs/dbraw/zinc/27/55/91/183275591.db2.gz VTABFNWVMPFEMN-LLVKDONJSA-N 1 0 315.801 1.190 10 0 DDAERO CC(C)N(CCCO)S(=O)(=O)Cc1ccccc1C[NH3+] ZINC000042514257 183278761 /nfs/dbraw/zinc/27/87/61/183278761.db2.gz QTOUFYBLFCULHZ-UHFFFAOYSA-N 1 0 300.424 1.068 10 0 DDAERO CC[C@@H](C)N(CCOC)S(=O)(=O)c1ccc(C[NH2+]C)cc1 ZINC000042594185 183289490 /nfs/dbraw/zinc/28/94/90/183289490.db2.gz IZBOMPNSNJZOKR-CYBMUJFWSA-N 1 0 314.451 1.842 10 0 DDAERO CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N(C)CC(N)=O ZINC000042953054 183322448 /nfs/dbraw/zinc/32/24/48/183322448.db2.gz XBGKOVRDKHQXKL-YPMHNXCESA-N 1 0 314.227 1.645 10 0 DDAERO COCCNC(=O)CN(C)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000043253810 183347691 /nfs/dbraw/zinc/34/76/91/183347691.db2.gz PKIFCQVYJWFZPT-VIFPVBQESA-N 1 0 305.831 1.096 10 0 DDAERO C[C@@H](Sc1ncnc2ccccc21)C(=O)N1CC[NH2+]CC1 ZINC000043403168 183358637 /nfs/dbraw/zinc/35/86/37/183358637.db2.gz SKCGELUZNRJMQP-LLVKDONJSA-N 1 0 302.403 1.542 10 0 DDAERO CC(C)([NH3+])c1noc(CSc2nnnn2C2CCCC2)n1 ZINC000043402779 183358932 /nfs/dbraw/zinc/35/89/32/183358932.db2.gz WFTKGIVSZMTGOG-UHFFFAOYSA-N 1 0 309.399 1.657 10 0 DDAERO [NH3+]Cc1cc2c(nc1Sc1nnnn1C1CC1)CCCC2 ZINC000043410084 183359931 /nfs/dbraw/zinc/35/99/31/183359931.db2.gz OGYUUDVCDRBWAO-UHFFFAOYSA-N 1 0 302.407 1.892 10 0 DDAERO C[C@H](NS(=O)(=O)c1ccc(CC[NH3+])cc1)c1cccnc1 ZINC000044594402 183426480 /nfs/dbraw/zinc/42/64/80/183426480.db2.gz BYJGKEQEKUBIGF-LBPRGKRZSA-N 1 0 305.403 1.622 10 0 DDAERO O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000333253770 296279944 /nfs/dbraw/zinc/27/99/44/296279944.db2.gz HJHNALYDXUTEGL-FMKPAKJESA-N 1 0 317.437 1.997 10 0 DDAERO CC[NH2+][C@@](C)(CCCCn1cc(Br)cn1)C(N)=O ZINC000045437129 183508052 /nfs/dbraw/zinc/50/80/52/183508052.db2.gz HEHXZMRXXJNDCK-LBPRGKRZSA-N 1 0 317.231 1.669 10 0 DDAERO CCN1C(=O)C[C@H]([NH2+]Cc2cccc(Br)c2)C1=O ZINC000104724842 194031882 /nfs/dbraw/zinc/03/18/82/194031882.db2.gz CXQFYBJPHRTAJQ-NSHDSACASA-N 1 0 311.179 1.686 10 0 DDAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2cccc(C(=O)NCC(C)C)c2)C1 ZINC000284730622 218153115 /nfs/dbraw/zinc/15/31/15/218153115.db2.gz WWHMKNKTJSQUER-DLBZAZTESA-N 1 0 320.433 1.654 10 0 DDAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)NCc2ccccc2F)c1 ZINC000105881827 194156411 /nfs/dbraw/zinc/15/64/11/194156411.db2.gz HCGUUNKKYUZGLQ-ZDUSSCGKSA-N 1 0 304.369 1.625 10 0 DDAERO C[NH+](C)C[C@@H]1CN(CC(=O)Nc2cccc(Cl)c2)CCO1 ZINC000105925039 194171583 /nfs/dbraw/zinc/17/15/83/194171583.db2.gz KNTMJVLUSNYLLG-CQSZACIVSA-N 1 0 311.813 1.541 10 0 DDAERO CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O ZINC000339134005 250307955 /nfs/dbraw/zinc/30/79/55/250307955.db2.gz BSEGAIPTMSHRSH-ZNMIVQPWSA-N 1 0 318.483 1.331 10 0 DDAERO Cc1cccc(NC(=O)[C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)c1C ZINC000105932655 194173610 /nfs/dbraw/zinc/17/36/10/194173610.db2.gz REYZIVIBOKVZPV-CABCVRRESA-N 1 0 305.422 1.551 10 0 DDAERO CC[C@@H]1CN(Cc2ccc3c(c2)OCCO3)CC[N@@H+]1C[C@@H](C)O ZINC000106101325 194185715 /nfs/dbraw/zinc/18/57/15/194185715.db2.gz CDBIQEIFADQBSA-GDBMZVCRSA-N 1 0 320.433 1.735 10 0 DDAERO COC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000106453955 194216442 /nfs/dbraw/zinc/21/64/42/194216442.db2.gz UNBTUEQKUCWTIZ-MRXNPFEDSA-N 1 0 318.417 1.571 10 0 DDAERO COc1cc(OC)c(NS(=O)(=O)CCC[NH3+])cc1Cl ZINC000048276704 183637443 /nfs/dbraw/zinc/63/74/43/183637443.db2.gz DWUGNFSDTURTPU-UHFFFAOYSA-N 1 0 308.787 1.448 10 0 DDAERO C[C@H](C(N)=S)[NH+]1CCN(c2ncnc3ccccc32)CC1 ZINC000109471218 194266550 /nfs/dbraw/zinc/26/65/50/194266550.db2.gz JMFAVIYHQAOEAE-LLVKDONJSA-N 1 0 301.419 1.426 10 0 DDAERO [NH3+]Cc1ccc(CNS(=O)(=O)c2ccc(F)cc2)c(F)c1 ZINC000109540473 194271718 /nfs/dbraw/zinc/27/17/18/194271718.db2.gz ASXNCQQGSXJIAR-UHFFFAOYSA-N 1 0 312.341 1.902 10 0 DDAERO C[C@@H](C(N)=S)[NH+]1CCN(c2ncnc3ccccc32)CC1 ZINC000109471216 194267419 /nfs/dbraw/zinc/26/74/19/194267419.db2.gz JMFAVIYHQAOEAE-NSHDSACASA-N 1 0 301.419 1.426 10 0 DDAERO CCC[C@H](c1nc(C(F)(F)F)cc(=O)[nH]1)N1CC[NH2+]CC1 ZINC000109476074 194268141 /nfs/dbraw/zinc/26/81/41/194268141.db2.gz HIDFRFPNENUEFR-SECBINFHSA-N 1 0 304.316 1.535 10 0 DDAERO Brc1cncc(-c2nc(CN3CC[NH2+]CC3)no2)c1 ZINC000109473445 194268562 /nfs/dbraw/zinc/26/85/62/194268562.db2.gz KLNKESNKLAZSGI-UHFFFAOYSA-N 1 0 324.182 1.299 10 0 DDAERO O=S(=O)(C[C@@H]1CCC[NH2+]C1)N[C@@H]1CCCc2ccccc21 ZINC000051633289 183832451 /nfs/dbraw/zinc/83/24/51/183832451.db2.gz VPIMFSVSSFDLBE-CZUORRHYSA-N 1 0 308.447 1.983 10 0 DDAERO C[NH2+]C[C@@H](CCCOCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000052950191 183881581 /nfs/dbraw/zinc/88/15/81/183881581.db2.gz ZNQQZTTWFGORET-MNOVXSKESA-N 1 0 317.373 1.616 10 0 DDAERO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccccc2NN)C1 ZINC000110386712 194327143 /nfs/dbraw/zinc/32/71/43/194327143.db2.gz IZYMHUSLURCUGI-LBPRGKRZSA-N 1 0 312.439 1.077 10 0 DDAERO CCOc1cccc(N2CC[NH+]([C@@H](CC)C(N)=S)CC2)n1 ZINC000110542002 194338368 /nfs/dbraw/zinc/33/83/68/194338368.db2.gz UMOPUBOHDQRDJE-LBPRGKRZSA-N 1 0 308.451 1.667 10 0 DDAERO CC(C)NS(=O)(=O)c1ccccc1N(C)[C@@H]1CCC[NH2+]C1 ZINC000110932748 194371342 /nfs/dbraw/zinc/37/13/42/194371342.db2.gz MQLMLNCMZTUTQO-CYBMUJFWSA-N 1 0 311.451 1.562 10 0 DDAERO COCC[NH2+]C[C@H](CCS(C)(=O)=O)Cc1ccc(F)cc1 ZINC000054666780 183948309 /nfs/dbraw/zinc/94/83/09/183948309.db2.gz FBBPFGZBQRZRBO-CQSZACIVSA-N 1 0 317.426 1.655 10 0 DDAERO CCCN[C@](C)(C[N@H+](C)C[C@@H]1CCCOC1)C(=O)OCC ZINC000111169390 194398102 /nfs/dbraw/zinc/39/81/02/194398102.db2.gz FEAHUEONVFGTQB-GOEBONIOSA-N 1 0 300.443 1.666 10 0 DDAERO CCCN[C@](C)(C[N@H+](C)CC1CCOCC1)C(=O)OCC ZINC000111170058 194398548 /nfs/dbraw/zinc/39/85/48/194398548.db2.gz ZBNYFPRATNEWSQ-MRXNPFEDSA-N 1 0 300.443 1.666 10 0 DDAERO COc1cc(N)c(Cl)cc1C(=O)N[C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000058506571 184120869 /nfs/dbraw/zinc/12/08/69/184120869.db2.gz GWLSBOAPLUTXAW-ZANVPECISA-N 1 0 309.797 1.755 10 0 DDAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)Nc1cc(F)c(F)c(F)c1 ZINC000061120952 184162442 /nfs/dbraw/zinc/16/24/42/184162442.db2.gz IDTACYAFQBJZCK-QMMMGPOBSA-N 1 0 308.325 1.988 10 0 DDAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000061233528 184166664 /nfs/dbraw/zinc/16/66/64/184166664.db2.gz XIDWJFNXFUSXAJ-VIFPVBQESA-N 1 0 320.361 1.867 10 0 DDAERO CCCn1c(S[C@H](c2ccncc2)[C@@H]([NH3+])CC)n[nH]c1=O ZINC000061594814 184176418 /nfs/dbraw/zinc/17/64/18/184176418.db2.gz IDZSTECJPZRHEP-NWDGAFQWSA-N 1 0 307.423 1.947 10 0 DDAERO CC[C@H]([NH3+])[C@H](N1CCN(CC(F)(F)F)CC1)C(F)(F)F ZINC000061940873 184197532 /nfs/dbraw/zinc/19/75/32/184197532.db2.gz SGVFSLCSBFMZLZ-IUCAKERBSA-N 1 0 307.282 1.835 10 0 DDAERO C[C@H](c1ccccc1F)N(C)C1(C[NH3+])CCS(=O)(=O)CC1 ZINC000062013550 184201155 /nfs/dbraw/zinc/20/11/55/184201155.db2.gz NIZMMHUEFFGZQH-GFCCVEGCSA-N 1 0 314.426 1.725 10 0 DDAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)CCCOC)cc1 ZINC000062037787 184203164 /nfs/dbraw/zinc/20/31/64/184203164.db2.gz DTJZBHHNQARTCR-GFCCVEGCSA-N 1 0 300.424 1.624 10 0 DDAERO COc1cc(CNS(=O)(=O)c2ccc(C[NH3+])s2)ccn1 ZINC000062072811 184204573 /nfs/dbraw/zinc/20/45/73/184204573.db2.gz CPJZXGLIXIOOCE-UHFFFAOYSA-N 1 0 313.404 1.089 10 0 DDAERO Cc1ccsc1[C@H]([C@H](C)[NH3+])N1CCN(S(C)(=O)=O)CC1 ZINC000062081753 184204879 /nfs/dbraw/zinc/20/48/79/184204879.db2.gz JUNBAIXZQMGKFB-RYUDHWBXSA-N 1 0 317.480 1.022 10 0 DDAERO COCC[N@H+](CC[C@H](NC(C)C)C(=O)OC)[C@@H](C)C1CC1 ZINC000062463460 184238593 /nfs/dbraw/zinc/23/85/93/184238593.db2.gz QPTYYCNWQFVPLH-ZFWWWQNUSA-N 1 0 300.443 1.663 10 0 DDAERO COc1ccc(C[NH2+]CC(C)C)cc1OCCS(C)(=O)=O ZINC000062732507 184251212 /nfs/dbraw/zinc/25/12/12/184251212.db2.gz ZTSRGBOIUSQQSW-UHFFFAOYSA-N 1 0 315.435 1.864 10 0 DDAERO COCC[NH2+]Cc1c(Cl)cccc1N(C)CC(=O)N(C)C ZINC000062735682 184251376 /nfs/dbraw/zinc/25/13/76/184251376.db2.gz UFGXMSRCOVCDAU-UHFFFAOYSA-N 1 0 313.829 1.600 10 0 DDAERO C[C@H]1CN[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2F)C[NH2+]1 ZINC000062815765 184254360 /nfs/dbraw/zinc/25/43/60/184254360.db2.gz KTCLBWQDHRPAJC-WRWORJQWSA-N 1 0 305.275 1.733 10 0 DDAERO CCC[C@@]1(C(=O)Nc2ccc(S(C)(=O)=O)cc2)CC[NH2+]C1 ZINC000062889729 184258394 /nfs/dbraw/zinc/25/83/94/184258394.db2.gz BCJKXMTWYZWJRW-OAHLLOKOSA-N 1 0 310.419 1.808 10 0 DDAERO CCCCN(C(=O)[C@]1(CC)CC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000062894834 184258870 /nfs/dbraw/zinc/25/88/70/184258870.db2.gz UNGDOGAKOVBQBQ-DZGCQCFKSA-N 1 0 316.467 1.192 10 0 DDAERO COC(=O)c1c2c(sc1NC(=O)[C@@]1(C)CC[NH2+]C1)CCC2 ZINC000062900846 184258880 /nfs/dbraw/zinc/25/88/80/184258880.db2.gz WATIHNYNIBJFKX-HNNXBMFYSA-N 1 0 308.403 1.962 10 0 DDAERO O=S(=O)(C[C@H]1CCCO1)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000063156489 184274901 /nfs/dbraw/zinc/27/49/01/184274901.db2.gz FVKIBQXMTHYRIN-ZIAGYGMSSA-N 1 0 316.467 1.540 10 0 DDAERO C[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)c1ccc(F)c(F)c1 ZINC000119860520 195051293 /nfs/dbraw/zinc/05/12/93/195051293.db2.gz PFQWCUSJZFAETB-ZUZCIYMTSA-N 1 0 315.364 1.638 10 0 DDAERO CCc1ccc([C@@H](C)[NH2+]CC(=O)NC(=O)N[C@@H](C)COC)cc1 ZINC000120425185 195164586 /nfs/dbraw/zinc/16/45/86/195164586.db2.gz SKYYTIANHGHYPZ-QWHCGFSZSA-N 1 0 321.421 1.760 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@H]1C ZINC000120597327 195198474 /nfs/dbraw/zinc/19/84/74/195198474.db2.gz ZQWVCDVHJWAIQE-HUUCEWRRSA-N 1 0 314.433 1.964 10 0 DDAERO CCO[C@H](C)c1noc(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)n1 ZINC000120704679 195220323 /nfs/dbraw/zinc/22/03/23/195220323.db2.gz HNUOQWKEVUAKIK-JHJVBQTASA-N 1 0 312.414 1.054 10 0 DDAERO COCC[N@@H+]1CCN(Cc2ccccc2NC(C)=O)C[C@@H]1C ZINC000120846765 195250240 /nfs/dbraw/zinc/25/02/40/195250240.db2.gz UCWJXKLPIZTIEU-AWEZNQCLSA-N 1 0 305.422 1.798 10 0 DDAERO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2CCCO[C@@H]2C)CC1 ZINC000191705489 285322020 /nfs/dbraw/zinc/32/20/20/285322020.db2.gz BWVJYTVOFDADEE-BZUAXINKSA-N 1 0 311.470 1.191 10 0 DDAERO c1cncc(C[C@@H]2[C@@H](N3CCOCC3)CC[N@@H+]2[C@H]2CCOC2)c1 ZINC000249701936 257106722 /nfs/dbraw/zinc/10/67/22/257106722.db2.gz YSLUKORKHPWPAH-OKZBNKHCSA-N 1 0 317.433 1.188 10 0 DDAERO CCOCC[N@@H+]1C[C@@H]2OC[C@H](C(=O)Nc3cccnc3)[C@@H]2C1 ZINC000248321466 257106868 /nfs/dbraw/zinc/10/68/68/257106868.db2.gz UQNMKCYJDVJEAW-KKUMJFAQSA-N 1 0 305.378 1.003 10 0 DDAERO COCC(=O)N1CC[C@@H]2CO[C@@H](C[N@H+](C)Cc3ccco3)[C@@H]2C1 ZINC000248142195 257108499 /nfs/dbraw/zinc/10/84/99/257108499.db2.gz UKNNYGSTPDZTME-BMFZPTHFSA-N 1 0 322.405 1.221 10 0 DDAERO Cc1noc(C)c1C[N@H+]1CC[C@@H]2OCC[C@]2(C(=O)NC(C)C)C1 ZINC000248018817 257110740 /nfs/dbraw/zinc/11/07/40/257110740.db2.gz UFLLJAUEEMEXPG-RDJZCZTQSA-N 1 0 321.421 1.797 10 0 DDAERO O=S(=O)(NCC[C@@H]1CCOC12C[NH+](C1CCC1)C2)C1CC1 ZINC000247329284 257120531 /nfs/dbraw/zinc/12/05/31/257120531.db2.gz OHBJPNLMGHUSGP-GFCCVEGCSA-N 1 0 314.451 1.102 10 0 DDAERO Cc1cccc(CN2C[C@@H]3OCCN(C[C@@H]4CCCO4)[C@H]3C2)n1 ZINC000503718127 257208096 /nfs/dbraw/zinc/20/80/96/257208096.db2.gz DYIMFVLVBVHNDH-BZSNNMDCSA-N 1 0 317.433 1.454 10 0 DDAERO CCO[C@@H]1C[C@H]([NH2+]CC(=O)NCC(F)(F)F)C12CCOCC2 ZINC000186286917 286383238 /nfs/dbraw/zinc/38/32/38/286383238.db2.gz GGASMAXWCRFTMH-WDEREUQCSA-N 1 0 324.343 1.229 10 0 DDAERO [NH3+]Cc1nc(Cn2cc(I)cn2)cs1 ZINC000070678893 406820582 /nfs/dbraw/zinc/82/05/82/406820582.db2.gz RBDPSFRLTXCUPM-UHFFFAOYSA-N 1 0 320.159 1.451 10 0 DDAERO CS(=O)(=O)N1CC[C@@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000015073742 406879035 /nfs/dbraw/zinc/87/90/35/406879035.db2.gz XKHFSWKZJHYTGA-MRXNPFEDSA-N 1 0 323.462 1.575 10 0 DDAERO CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000076074830 406953413 /nfs/dbraw/zinc/95/34/13/406953413.db2.gz XKHGRIYBVWPTOK-CABCVRRESA-N 1 0 319.405 1.420 10 0 DDAERO NS(=O)(=O)CCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000076107366 406956267 /nfs/dbraw/zinc/95/62/67/406956267.db2.gz DRBGSNBMWFWGNI-CABCVRRESA-N 1 0 312.435 1.253 10 0 DDAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000078265055 407022876 /nfs/dbraw/zinc/02/28/76/407022876.db2.gz YMUKUKDFJRCFGY-JKSUJKDBSA-N 1 0 306.406 1.117 10 0 DDAERO CC(C)NC(=O)CCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000045184990 407041431 /nfs/dbraw/zinc/04/14/31/407041431.db2.gz UQKYFRCXBNSFJW-HNNXBMFYSA-N 1 0 320.437 1.503 10 0 DDAERO C[C@H]([NH2+][C@@H](C)c1cccc(Br)c1)C(=O)NC(N)=O ZINC000037984429 406996029 /nfs/dbraw/zinc/99/60/29/406996029.db2.gz ILEMJXNQZQGNBN-YUMQZZPRSA-N 1 0 314.183 1.683 10 0 DDAERO CC[C@H](C)NC(=O)CCNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000079620632 407059276 /nfs/dbraw/zinc/05/92/76/407059276.db2.gz LFXQPRUVOAEITD-UONOGXRCSA-N 1 0 314.474 1.567 10 0 DDAERO COC(=O)C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000054307276 407182410 /nfs/dbraw/zinc/18/24/10/407182410.db2.gz CDEZRZBRGUGFKN-NWDGAFQWSA-N 1 0 310.419 1.858 10 0 DDAERO CC[C@@](C)(O)C[NH+]1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000123393218 407327828 /nfs/dbraw/zinc/32/78/28/407327828.db2.gz ZENUKMIBMSJNTG-QGZVFWFLSA-N 1 0 324.396 1.510 10 0 DDAERO CC[C@](C)(O)C[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000123457717 407329474 /nfs/dbraw/zinc/32/94/74/407329474.db2.gz ZANLEFHDMIUGMJ-HNNXBMFYSA-N 1 0 312.435 1.577 10 0 DDAERO CCCn1nc(C)c(CN2CC[NH+](C[C@H](O)CC)CC2)c1C ZINC000123476033 407329784 /nfs/dbraw/zinc/32/97/84/407329784.db2.gz YKOMZCAOMAEGOJ-MRXNPFEDSA-N 1 0 308.470 1.798 10 0 DDAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCN1C(=O)CCC1=O ZINC000105895724 407357041 /nfs/dbraw/zinc/35/70/41/407357041.db2.gz KGAMOAWBTFAUEA-CYBMUJFWSA-N 1 0 304.394 1.323 10 0 DDAERO CCc1nccn1[C@H]1CCC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC000105897942 407357163 /nfs/dbraw/zinc/35/71/63/407357163.db2.gz HNNIRPALMNWZPW-HNNXBMFYSA-N 1 0 320.437 1.378 10 0 DDAERO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1csnn1 ZINC000126627376 407418270 /nfs/dbraw/zinc/41/82/70/407418270.db2.gz KRKBENRCRKTDMJ-UHFFFAOYSA-N 1 0 317.418 1.922 10 0 DDAERO COc1ccccc1OCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113225250 407477114 /nfs/dbraw/zinc/47/71/14/407477114.db2.gz JNEDBIGSZCWMQJ-UONOGXRCSA-N 1 0 304.390 1.769 10 0 DDAERO COc1cccc(CNC(=O)CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000113268157 407483690 /nfs/dbraw/zinc/48/36/90/407483690.db2.gz UKXLCZXBPWGRQD-GOEBONIOSA-N 1 0 317.433 1.480 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(-n2ccnn2)c1 ZINC000151817977 407503867 /nfs/dbraw/zinc/50/38/67/407503867.db2.gz ZBWLLVIAPQZAOH-XJKSGUPXSA-N 1 0 311.389 1.576 10 0 DDAERO COc1ccccc1NCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000112883565 407442135 /nfs/dbraw/zinc/44/21/35/407442135.db2.gz MKIOXASQFXYWNQ-AWEZNQCLSA-N 1 0 303.406 1.804 10 0 DDAERO CCOC(=O)N(CC[NH3+])Cc1cc(OC)c(OC)c(OC)c1 ZINC000253564426 407460345 /nfs/dbraw/zinc/46/03/45/407460345.db2.gz GMQHJGREUUNSII-UHFFFAOYSA-N 1 0 312.366 1.630 10 0 DDAERO CC(=O)c1ccccc1NC(=O)[C@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178633198 407519969 /nfs/dbraw/zinc/51/99/69/407519969.db2.gz HGVLKGAYBRFQQQ-DZGCQCFKSA-N 1 0 315.417 1.996 10 0 DDAERO Cc1ccc(C)c(OC[C@@H](O)CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000178640073 407521867 /nfs/dbraw/zinc/52/18/67/407521867.db2.gz QTTDLTDXTYLTRK-SJORKVTESA-N 1 0 304.434 1.823 10 0 DDAERO CCC[C@H](C(=O)N[C@@H](C)C(=O)NCc1ccccc1)[NH+](C)C ZINC000178652394 407530471 /nfs/dbraw/zinc/53/04/71/407530471.db2.gz LDKAFBARETVJLS-DZGCQCFKSA-N 1 0 305.422 1.538 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)COc2ccc3ccc(=O)oc3c2)C1 ZINC000170861842 407533965 /nfs/dbraw/zinc/53/39/65/407533965.db2.gz HDEFULHANZTGHR-CYBMUJFWSA-N 1 0 316.357 1.334 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2)C1 ZINC000170867603 407538608 /nfs/dbraw/zinc/53/86/08/407538608.db2.gz MZDIXZMNNYELHA-JKSUJKDBSA-N 1 0 315.417 1.454 10 0 DDAERO CCCCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170868668 407538824 /nfs/dbraw/zinc/53/88/24/407538824.db2.gz RVYRHBOCTLTBPM-CHWSQXEVSA-N 1 0 313.467 1.241 10 0 DDAERO CC1(C)C[C@H](NC(=O)C2([NH3+])CCOCC2)c2ccccc2O1 ZINC000261750777 407601242 /nfs/dbraw/zinc/60/12/42/407601242.db2.gz FEPNELIWMHICNM-ZDUSSCGKSA-N 1 0 304.390 1.913 10 0 DDAERO COCC1=CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000186194508 407601324 /nfs/dbraw/zinc/60/13/24/407601324.db2.gz YLRJJUPPDMOYGR-QGZVFWFLSA-N 1 0 302.418 1.964 10 0 DDAERO O=C(Cc1ccc(Br)s1)NC[C@H]1CCC[NH2+]1 ZINC000178790647 407604662 /nfs/dbraw/zinc/60/46/62/407604662.db2.gz JSDCIMMMEFIQGO-MRVPVSSYSA-N 1 0 303.225 1.921 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C(N)=O)c2ccccc2)C12CCOCC2 ZINC000186228771 407612401 /nfs/dbraw/zinc/61/24/01/407612401.db2.gz VUVBASPIMGVRLR-OAGGEKHMSA-N 1 0 318.417 1.777 10 0 DDAERO CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](CC)C2)C1 ZINC000171164582 407615001 /nfs/dbraw/zinc/61/50/01/407615001.db2.gz YMPZOVWVAUVGFK-HUUCEWRRSA-N 1 0 324.469 1.561 10 0 DDAERO CC(C)[C@H](C)NC(=O)CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261817072 407625980 /nfs/dbraw/zinc/62/59/80/407625980.db2.gz RZMHHXCQOALSJX-UAGQMJEPSA-N 1 0 303.450 1.821 10 0 DDAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCc2nccn2CCc2ccccc2)C1 ZINC000178853274 407627410 /nfs/dbraw/zinc/62/74/10/407627410.db2.gz VMRCJCHVDFQTNF-HZPDHXFCSA-N 1 0 312.417 1.869 10 0 DDAERO [NH3+]C1(C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)CCOCC1 ZINC000261897621 407660481 /nfs/dbraw/zinc/66/04/81/407660481.db2.gz RFOJNLSROGLQNV-ZDUSSCGKSA-N 1 0 321.396 1.276 10 0 DDAERO CN(C)C(=O)c1cccc(NC(=O)[C@@H]([NH3+])C2CCOCC2)c1 ZINC000261853355 407640702 /nfs/dbraw/zinc/64/07/02/407640702.db2.gz RRNSQGOWLLQEJP-AWEZNQCLSA-N 1 0 305.378 1.081 10 0 DDAERO [NH3+]CC1(C(=O)NCCOc2ccc(F)cc2F)CCOCC1 ZINC000261855489 407644879 /nfs/dbraw/zinc/64/48/79/407644879.db2.gz BQKMEBGRHHOOFF-UHFFFAOYSA-N 1 0 314.332 1.215 10 0 DDAERO Cc1ccc(S(=O)(=O)NCC[C@@H](C)[NH3+])cc1Br ZINC000178911363 407653384 /nfs/dbraw/zinc/65/33/84/407653384.db2.gz DIETYFUAVINLME-SECBINFHSA-N 1 0 321.240 1.773 10 0 DDAERO O=C(NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C1CC1 ZINC000115157530 407658249 /nfs/dbraw/zinc/65/82/49/407658249.db2.gz SKWSBNBKTDZJGI-KRWDZBQOSA-N 1 0 302.418 1.958 10 0 DDAERO COc1ccc(CNC(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171642581 407729131 /nfs/dbraw/zinc/72/91/31/407729131.db2.gz RVNQMMVUFZJFBE-OAHLLOKOSA-N 1 0 303.406 1.091 10 0 DDAERO CC[N@H+](CC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1)C1CC1 ZINC000152721232 407676701 /nfs/dbraw/zinc/67/67/01/407676701.db2.gz PJFLYYDJODNMKQ-OAHLLOKOSA-N 1 0 319.453 1.618 10 0 DDAERO CC(C)c1nc2c(n1C)CCN(C(=O)CC[C@H]1CC[NH2+]C1)C2 ZINC000261938976 407681674 /nfs/dbraw/zinc/68/16/74/407681674.db2.gz ZVTRISKGKTZWET-ZDUSSCGKSA-N 1 0 304.438 1.818 10 0 DDAERO Cc1cccc(NC[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C2)n1 ZINC000171638334 407730812 /nfs/dbraw/zinc/73/08/12/407730812.db2.gz IHCXPXCPJCEJFN-CVEARBPZSA-N 1 0 315.421 1.381 10 0 DDAERO NC(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)c1 ZINC000261967234 407696266 /nfs/dbraw/zinc/69/62/66/407696266.db2.gz QDNGMJZWEKLMIE-BRWVUGGUSA-N 1 0 317.433 1.075 10 0 DDAERO CC(C)(C)c1ccnc(N2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000261989042 407704411 /nfs/dbraw/zinc/70/44/11/407704411.db2.gz BFIBHWOADLUQSI-LBPRGKRZSA-N 1 0 305.426 1.065 10 0 DDAERO CCn1cc(Br)cc1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000234178560 407708643 /nfs/dbraw/zinc/70/86/43/407708643.db2.gz GCQOGYQIWAKKEP-WCBMZHEXSA-N 1 0 300.200 1.690 10 0 DDAERO CCOC(=O)c1cc2cc(NC(=O)[C@H]([NH3+])COC)ccc2s1 ZINC000262036510 407720669 /nfs/dbraw/zinc/72/06/69/407720669.db2.gz FRKDDZIQGGZXFW-LLVKDONJSA-N 1 0 322.386 1.990 10 0 DDAERO COC[C@H]([NH3+])C(=O)NCCOc1ccccc1-c1ccccc1 ZINC000262181664 407759934 /nfs/dbraw/zinc/75/99/34/407759934.db2.gz BPEGVPZNSSUBNI-INIZCTEOSA-N 1 0 314.385 1.822 10 0 DDAERO O=C(C[C@@H]1CSCCS1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000179261100 407761513 /nfs/dbraw/zinc/76/15/13/407761513.db2.gz PNCFAFJOOWPIGU-CHWSQXEVSA-N 1 0 300.493 1.922 10 0 DDAERO [NH3+][C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)C1CCOCC1 ZINC000262195232 407762816 /nfs/dbraw/zinc/76/28/16/407762816.db2.gz ZXIDGFFHGZGQBC-MRXNPFEDSA-N 1 0 317.389 1.506 10 0 DDAERO COC[C@H]([NH3+])C(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000262206476 407767051 /nfs/dbraw/zinc/76/70/51/407767051.db2.gz DNZDMFHZYCYQDR-BMIGLBTASA-N 1 0 320.368 1.471 10 0 DDAERO Cc1ccc(O[C@@H](C)C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000116784756 407777914 /nfs/dbraw/zinc/77/79/14/407777914.db2.gz IEVZZYJAPYDIHE-GOEBONIOSA-N 1 0 306.406 1.551 10 0 DDAERO COCC[N@@H+]1CCN(c2cncc(OCC(C)C)n2)C[C@@H]1C ZINC000153286089 407791538 /nfs/dbraw/zinc/79/15/38/407791538.db2.gz MUKOEHFKSIFKGT-AWEZNQCLSA-N 1 0 308.426 1.668 10 0 DDAERO Cc1c(CCC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cnn1C ZINC000179526666 407802478 /nfs/dbraw/zinc/80/24/78/407802478.db2.gz VIFHBZNGULRSHM-MRXNPFEDSA-N 1 0 306.454 1.898 10 0 DDAERO COC[C@H]([NH3+])C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000262368927 407814565 /nfs/dbraw/zinc/81/45/65/407814565.db2.gz WLMGGCHJZYNYDY-AWEZNQCLSA-N 1 0 319.336 1.603 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CNC(=O)c1ccccc1 ZINC000117244024 407816354 /nfs/dbraw/zinc/81/63/54/407816354.db2.gz AIYUWVKIQWINNC-OAHLLOKOSA-N 1 0 305.422 1.509 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)CC2CCOCC2)C[C@@H]1CC ZINC000117261589 407818965 /nfs/dbraw/zinc/81/89/65/407818965.db2.gz VAWVPQJCBPUSFL-INIZCTEOSA-N 1 0 312.454 1.762 10 0 DDAERO CC[C@H]1CN(C(=O)Cc2ccc(OC)cc2)CC[N@@H+]1CCOC ZINC000117306859 407828101 /nfs/dbraw/zinc/82/81/01/407828101.db2.gz WWCDMRBMZNBUAG-INIZCTEOSA-N 1 0 320.433 1.807 10 0 DDAERO COc1ccc(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c(OC)c1 ZINC000180224166 407865556 /nfs/dbraw/zinc/86/55/56/407865556.db2.gz UYFBYGJBCJBFBQ-YOEHRIQHSA-N 1 0 320.433 1.856 10 0 DDAERO Cc1cccc2[nH]c(CCC(=O)NCC[C@@H]3CC[NH2+]C3)nc21 ZINC000262575382 407870934 /nfs/dbraw/zinc/87/09/34/407870934.db2.gz JBAMNSNQFLSKHQ-ZDUSSCGKSA-N 1 0 300.406 1.920 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C1CCC(C(=O)OC)CC1 ZINC000180312453 407875884 /nfs/dbraw/zinc/87/58/84/407875884.db2.gz PEJVHVAJFDDKTJ-YMAMQOFZSA-N 1 0 310.438 1.909 10 0 DDAERO Cc1cccc(NC(=O)NCC(=O)N(C)CC(C)(C)C[NH3+])c1 ZINC000262594653 407877240 /nfs/dbraw/zinc/87/72/40/407877240.db2.gz WTJQISXGMFGFAF-UHFFFAOYSA-N 1 0 306.410 1.560 10 0 DDAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCn1cc(C)cn1 ZINC000118077894 407883183 /nfs/dbraw/zinc/88/31/83/407883183.db2.gz VDOZOESXQBHJSS-OAHLLOKOSA-N 1 0 307.442 1.755 10 0 DDAERO [NH3+][C@@H](CCO)c1c(Br)cncc1Br ZINC000238679349 407898803 /nfs/dbraw/zinc/89/88/03/407898803.db2.gz FYHANIQBBAQIPM-ZETCQYMHSA-N 1 0 309.989 1.989 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2cnc(C(C)(C)C)nc2)CCO1 ZINC000118812715 407946908 /nfs/dbraw/zinc/94/69/08/407946908.db2.gz HFPXLOXJDAGQRT-ZDUSSCGKSA-N 1 0 321.425 1.568 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CCC[C@@H](C(=O)OC)C1 ZINC000245436941 407980142 /nfs/dbraw/zinc/98/01/42/407980142.db2.gz WACUUUVGPLIYRY-RRFJBIMHSA-N 1 0 310.438 1.909 10 0 DDAERO Cc1nc(CC[NH+](C)C)nc(N)c1I ZINC000134805019 407938801 /nfs/dbraw/zinc/93/88/01/407938801.db2.gz YBMARPJYJNLIMT-UHFFFAOYSA-N 1 0 306.151 1.076 10 0 DDAERO C[C@H]1[NH2+]CCN(C(=O)c2ccc3c(c2)NC(=O)CCS3)[C@@H]1C ZINC000262811562 407942910 /nfs/dbraw/zinc/94/29/10/407942910.db2.gz RFAMHJHAPTYNAR-GHMZBOCLSA-N 1 0 319.430 1.943 10 0 DDAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cnn(-c3ccccc3)c2)n1 ZINC000263146721 408037829 /nfs/dbraw/zinc/03/78/29/408037829.db2.gz CVCUYNSLAXWNRW-CQSZACIVSA-N 1 0 310.361 1.498 10 0 DDAERO CCc1c(-c2nc([C@@H]3C[NH2+]CCN3C)no2)cnn1C(C)(C)C ZINC000263147981 408040790 /nfs/dbraw/zinc/04/07/90/408040790.db2.gz CWLGKNBSLMHPLH-ZDUSSCGKSA-N 1 0 318.425 1.827 10 0 DDAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)CN1C1CC1 ZINC000119332399 408041787 /nfs/dbraw/zinc/04/17/87/408041787.db2.gz JJZXEUBZGDDJMF-RBSFLKMASA-N 1 0 301.438 1.660 10 0 DDAERO CN1CC[NH2+]C[C@H]1c1noc(C[C@H]2CCc3ccccc3C2)n1 ZINC000263175547 408048138 /nfs/dbraw/zinc/04/81/38/408048138.db2.gz GEZGNMNSZHWUPW-BBRMVZONSA-N 1 0 312.417 1.993 10 0 DDAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cccc(-n3cccn3)c2)n1 ZINC000263188943 408051477 /nfs/dbraw/zinc/05/14/77/408051477.db2.gz HQEFBHBRZPGCMI-CQSZACIVSA-N 1 0 310.361 1.498 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000119093813 407994336 /nfs/dbraw/zinc/99/43/36/407994336.db2.gz IIVKHWXMSXLYDX-BFYDXBDKSA-N 1 0 309.454 1.807 10 0 DDAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cccnc1Br ZINC000135368721 408008381 /nfs/dbraw/zinc/00/83/81/408008381.db2.gz UUIKECIECPOLRW-SNVBAGLBSA-N 1 0 312.211 1.868 10 0 DDAERO CC(=O)N(C)c1cccc(NC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000174947608 408013552 /nfs/dbraw/zinc/01/35/52/408013552.db2.gz HWCCKLBVSSKXTF-OAHLLOKOSA-N 1 0 320.393 1.121 10 0 DDAERO C[C@@H]1C[C@H](NC(=O)[C@H]2CC(F)(F)CN2)C[N@@H+]1Cc1ccccc1 ZINC000263084317 408020504 /nfs/dbraw/zinc/02/05/04/408020504.db2.gz XTMRIGCKLZASJH-VHDGCEQUSA-N 1 0 323.387 1.763 10 0 DDAERO CC(=O)N[C@@H](c1nc([C@H]2C[NH2+]CCN2C)no1)C1CCCC1 ZINC000263199747 408056906 /nfs/dbraw/zinc/05/69/06/408056906.db2.gz IVOKLTGLSPISGV-CHWSQXEVSA-N 1 0 307.398 1.013 10 0 DDAERO COc1c(Cl)cc(Cl)cc1CNC[C@H]1C[NH2+]C[C@H]1O ZINC000263219868 408062472 /nfs/dbraw/zinc/06/24/72/408062472.db2.gz LQHZRZOTSULGRU-JOYOIKCWSA-N 1 0 305.205 1.672 10 0 DDAERO CCOc1cc2c(cc1OCC)CN(C(=O)[C@H]([NH3+])COC)CC2 ZINC000263242434 408073053 /nfs/dbraw/zinc/07/30/53/408073053.db2.gz LQVIVTSQHWREOI-CQSZACIVSA-N 1 0 322.405 1.342 10 0 DDAERO COC(=O)CC[N@@H+]1CCN(Cc2nnc(C(C)C)n2C)[C@@H](C)C1 ZINC000182118220 408078168 /nfs/dbraw/zinc/07/81/68/408078168.db2.gz QQVVSLNAKJFFPY-ZDUSSCGKSA-N 1 0 323.441 1.008 10 0 DDAERO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C1C[NH2+]C1 ZINC000263267570 408081126 /nfs/dbraw/zinc/08/11/26/408081126.db2.gz HOVRKWAJDMHOPY-MRVPVSSYSA-N 1 0 315.186 1.855 10 0 DDAERO Cc1ccc(C)c(OCc2nc([C@H]3C[NH2+]CCN3C)no2)c1 ZINC000263269718 408084091 /nfs/dbraw/zinc/08/40/91/408084091.db2.gz SBGUIGQTGGTJGC-CYBMUJFWSA-N 1 0 302.378 1.842 10 0 DDAERO CC(=O)NC1CN(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000189826834 408115565 /nfs/dbraw/zinc/11/55/65/408115565.db2.gz FAKUTQVDFUPYNU-CYBMUJFWSA-N 1 0 310.442 1.028 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccn(CCOC)n1 ZINC000136803720 408127346 /nfs/dbraw/zinc/12/73/46/408127346.db2.gz FMCRMLDGCXYHHO-ZIAGYGMSSA-N 1 0 321.425 1.620 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cncnc1OC ZINC000246058107 408128032 /nfs/dbraw/zinc/12/80/32/408128032.db2.gz QTBPJSRRMUFUNA-NEPJUHHUSA-N 1 0 305.382 1.576 10 0 DDAERO C[C@@H](CN1CCOCC1)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246090748 408137937 /nfs/dbraw/zinc/13/79/37/408137937.db2.gz NQHCTVIOFALASR-HOTGVXAUSA-N 1 0 304.438 1.536 10 0 DDAERO CN(Cc1ccccc1F)C(=O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246255805 408194957 /nfs/dbraw/zinc/19/49/57/408194957.db2.gz XPQLJUDOFKNFGN-INIZCTEOSA-N 1 0 319.424 1.954 10 0 DDAERO CCC[C@@H](C(=O)NCc1ccnc(-n2ccnc2)c1)[NH+](C)C ZINC000137288474 408150155 /nfs/dbraw/zinc/15/01/55/408150155.db2.gz FWYHSFIVIVYUMK-AWEZNQCLSA-N 1 0 301.394 1.614 10 0 DDAERO CCO[C@H]1C[C@H]([N@H+](C)CCCN2C(=O)CNC2=O)C12CCCC2 ZINC000121124204 408153031 /nfs/dbraw/zinc/15/30/31/408153031.db2.gz PZSAOUPJNWFLIA-KBPBESRZSA-N 1 0 323.437 1.598 10 0 DDAERO Cc1c(F)cccc1NC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000190081195 408160694 /nfs/dbraw/zinc/16/06/94/408160694.db2.gz XYQBTTDNNLFGNX-WCQYABFASA-N 1 0 319.380 1.768 10 0 DDAERO C[C@@H](C(=O)NCc1cccs1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246218667 408182496 /nfs/dbraw/zinc/18/24/96/408182496.db2.gz QALLLYIDTFWSQW-KBPBESRZSA-N 1 0 307.463 1.923 10 0 DDAERO Cc1ccc(C(N)=O)cc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246388905 408240399 /nfs/dbraw/zinc/24/03/99/408240399.db2.gz KLJGLZMPDLMQTI-DOMZBBRYSA-N 1 0 318.421 1.944 10 0 DDAERO COc1ccc(C(=O)CCC(=O)N2CC[C@H]([NH+](C)C)C2)cc1F ZINC000175978925 408257063 /nfs/dbraw/zinc/25/70/63/408257063.db2.gz ZRSILSISZCPBBC-ZDUSSCGKSA-N 1 0 322.380 1.960 10 0 DDAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000151144789 408266699 /nfs/dbraw/zinc/26/66/99/408266699.db2.gz IARNPXXVIJXYRP-DZGCQCFKSA-N 1 0 318.421 1.749 10 0 DDAERO CCC(=O)N1CC[C@H](C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)C1 ZINC000246294278 408208461 /nfs/dbraw/zinc/20/84/61/408208461.db2.gz IRRMEHOHMXAFIH-KKUMJFAQSA-N 1 0 307.438 1.330 10 0 DDAERO C[N@H+](CCNC(=O)N[C@@H]1CCCC[C@H]1CO)Cc1ccccc1 ZINC000246304146 408211275 /nfs/dbraw/zinc/21/12/75/408211275.db2.gz YWGKWIHZHMCZLZ-DLBZAZTESA-N 1 0 319.449 1.969 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(F)c1 ZINC000190341316 408223455 /nfs/dbraw/zinc/22/34/55/408223455.db2.gz AHVHYTNGJGMYSN-HUUCEWRRSA-N 1 0 319.380 1.849 10 0 DDAERO C[C@H](CCNC(=O)[C@@H](C)NC(=O)c1ccco1)[NH+]1CCCCC1 ZINC000183084843 408323168 /nfs/dbraw/zinc/32/31/68/408323168.db2.gz DYDZPHKEVHZGJV-ZIAGYGMSSA-N 1 0 321.421 1.779 10 0 DDAERO O[C@@H](CNCc1ccc(Br)o1)C[NH+]1CCCCC1 ZINC000190855648 408330283 /nfs/dbraw/zinc/33/02/83/408330283.db2.gz XKXBRKUZTPVDNY-NSHDSACASA-N 1 0 317.227 1.979 10 0 DDAERO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000246562096 408292346 /nfs/dbraw/zinc/29/23/46/408292346.db2.gz XFWFQKJQEMOAHT-BPQIPLTHSA-N 1 0 318.465 1.212 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(CO)c(F)c1 ZINC000176295707 408335094 /nfs/dbraw/zinc/33/50/94/408335094.db2.gz WKNHHKGUYSSADL-HNNXBMFYSA-N 1 0 323.412 1.944 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccn(CC(=O)OC)n1 ZINC000176359017 408347455 /nfs/dbraw/zinc/34/74/55/408347455.db2.gz NYSGLCPTXXOICR-GFCCVEGCSA-N 1 0 323.397 1.004 10 0 DDAERO COc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000246836705 408351840 /nfs/dbraw/zinc/35/18/40/408351840.db2.gz CWAIFFJGTCDEGL-OLZOCXBDSA-N 1 0 310.419 1.552 10 0 DDAERO Cc1noc([C@H](C)N2CC[NH+](CCCn3ccnc3)CC2)n1 ZINC000183175664 408344867 /nfs/dbraw/zinc/34/48/67/408344867.db2.gz HKZLBOVWKOFXQO-ZDUSSCGKSA-N 1 0 304.398 1.343 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCNC(=O)C(C)(C)C)C1 ZINC000246805924 408345921 /nfs/dbraw/zinc/34/59/21/408345921.db2.gz DEFOOLGQXNFISF-CHWSQXEVSA-N 1 0 312.458 1.177 10 0 DDAERO CCC[C@H]([NH3+])C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000166489420 162167293 /nfs/dbraw/zinc/16/72/93/162167293.db2.gz WNYMLAWFNOKFPF-NSHDSACASA-N 1 0 315.368 1.050 10 0 DDAERO COc1ccc2c(c1)OC[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)C2 ZINC000170864103 162195475 /nfs/dbraw/zinc/19/54/75/162195475.db2.gz CGPIJLHMXBMLJH-UONOGXRCSA-N 1 0 304.390 1.409 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)CCc2nc(-c3ccsc3)no2)C1 ZINC000170858905 162195713 /nfs/dbraw/zinc/19/57/13/162195713.db2.gz PILXKRZHGCBOHJ-LBPRGKRZSA-N 1 0 320.418 1.893 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCc1nc(C)no1 ZINC000246865427 408355817 /nfs/dbraw/zinc/35/58/17/408355817.db2.gz DOJMFQHKYJPZHI-KGLIPLIRSA-N 1 0 306.410 1.786 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)NCc2ccc(Cl)s2)CCO1 ZINC000172123174 162259746 /nfs/dbraw/zinc/25/97/46/162259746.db2.gz AGHMGEGJYNTMCO-JTQLQIEISA-N 1 0 317.842 1.874 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(C(=O)NC)c1 ZINC000246905273 408365423 /nfs/dbraw/zinc/36/54/23/408365423.db2.gz HUFFJXKWHMHQOZ-CVEARBPZSA-N 1 0 315.417 1.745 10 0 DDAERO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000247351824 408457354 /nfs/dbraw/zinc/45/73/54/408457354.db2.gz JSPMNXITAPHUGL-PVAVHDDUSA-N 1 0 307.482 1.955 10 0 DDAERO CC[C@@H]1CN(CCOc2ccc(OC)cc2)CC[N@@H+]1C[C@H](C)O ZINC000247175316 408422116 /nfs/dbraw/zinc/42/21/16/408422116.db2.gz NDGPZHGTEANBJO-JKSUJKDBSA-N 1 0 322.449 1.851 10 0 DDAERO CC[C@@H](Oc1ccccc1C)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000176739791 408426514 /nfs/dbraw/zinc/42/65/14/408426514.db2.gz WGVOZEIMTYYOHI-HZPDHXFCSA-N 1 0 320.433 1.941 10 0 DDAERO C[C@@H](C(=O)N1CCc2ccccc2C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247235815 408437159 /nfs/dbraw/zinc/43/71/59/408437159.db2.gz RSDGLBGGBCRWCI-YJBOKZPZSA-N 1 0 313.445 1.740 10 0 DDAERO O=S(=O)(c1c(F)cc(F)cc1F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247513291 408483082 /nfs/dbraw/zinc/48/30/82/408483082.db2.gz QCHLOXKSUKFBAZ-JTQLQIEISA-N 1 0 320.336 1.573 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCC[C@H](CC(N)=O)C2)C1 ZINC000247530866 408489177 /nfs/dbraw/zinc/48/91/77/408489177.db2.gz ZWFKUTHCBQUELS-MGPQQGTHSA-N 1 0 310.442 1.012 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(C(=O)NC)c1 ZINC000177004293 408494145 /nfs/dbraw/zinc/49/41/45/408494145.db2.gz XTCUZCMXKQBVLS-HNNXBMFYSA-N 1 0 303.406 1.603 10 0 DDAERO C[C@@H](C1CC1)N(C(=O)CN1CCO[C@H](C[NH+](C)C)C1)C1CC1 ZINC000177025495 408499446 /nfs/dbraw/zinc/49/94/46/408499446.db2.gz KNUKANJHWKWPEE-XJKSGUPXSA-N 1 0 309.454 1.038 10 0 DDAERO C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1c[nH+]ccc1N(C)C ZINC000183848401 408500479 /nfs/dbraw/zinc/50/04/79/408500479.db2.gz ALEGAJWJGOOHTK-LLVKDONJSA-N 1 0 307.394 1.950 10 0 DDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CNC(=O)c2cccs2)C1 ZINC000247457979 408473082 /nfs/dbraw/zinc/47/30/82/408473082.db2.gz UDFISMTYODITFP-NWDGAFQWSA-N 1 0 309.435 1.323 10 0 DDAERO CC[C@@H]1CN(C(=O)NCc2c(C)noc2C)CC[N@@H+]1C[C@H](C)O ZINC000248429567 408566412 /nfs/dbraw/zinc/56/64/12/408566412.db2.gz AELSGQILVBYJRE-SMDDNHRTSA-N 1 0 324.425 1.278 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000248458640 408571971 /nfs/dbraw/zinc/57/19/71/408571971.db2.gz QHOCQHFSBRITRQ-JSGCOSHPSA-N 1 0 323.437 1.548 10 0 DDAERO CCC[C@@H](C(=O)Nc1ccc(C)c(-n2cnnn2)c1)[NH+](C)C ZINC000161513340 408611009 /nfs/dbraw/zinc/61/10/09/408611009.db2.gz URICTJTURGUAHF-ZDUSSCGKSA-N 1 0 302.382 1.640 10 0 DDAERO c1cnnc(N2CCC[C@H]([NH2+]C3CCC4(CC3)OCCO4)C2)c1 ZINC000161527265 408613103 /nfs/dbraw/zinc/61/31/03/408613103.db2.gz JLHONJPBSDOFLP-HNNXBMFYSA-N 1 0 318.421 1.721 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCCc1c[nH]nn1 ZINC000248689195 408614928 /nfs/dbraw/zinc/61/49/28/408614928.db2.gz AHUHPDVRKURQCB-CABCVRRESA-N 1 0 305.426 1.603 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)c1ccccc1OC ZINC000248734015 408626359 /nfs/dbraw/zinc/62/63/59/408626359.db2.gz OBNKKZAYZBOCFL-KGLIPLIRSA-N 1 0 316.401 1.963 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000161775895 408636965 /nfs/dbraw/zinc/63/69/65/408636965.db2.gz CNYMWGJVNQHUOO-GFCCVEGCSA-N 1 0 317.389 1.276 10 0 DDAERO CC(C)(C)OC(=O)NCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000177501652 408640313 /nfs/dbraw/zinc/64/03/13/408640313.db2.gz AZKMDGYSJDKGIH-UHFFFAOYSA-N 1 0 321.425 1.878 10 0 DDAERO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[C@@H]([NH3+])CCSC ZINC000161955269 408655937 /nfs/dbraw/zinc/65/59/37/408655937.db2.gz JVNGFYAIQUWPMM-LSDHHAIUSA-N 1 0 310.463 1.957 10 0 DDAERO O=S(=O)(c1c[nH]c2cccc(F)c21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248897079 408656186 /nfs/dbraw/zinc/65/61/86/408656186.db2.gz 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COC1(C[NH+]2CCN(c3cncc4nc(C)nn43)CC2)CCC1 ZINC000333726036 536627087 /nfs/dbraw/zinc/62/70/87/536627087.db2.gz SIMFARMEEHJWPJ-UHFFFAOYSA-N 1 0 316.409 1.124 10 0 DDAERO CC[C@@H](C[NH3+])[C@@H](O)c1ncc(I)s1 ZINC000308205598 563503221 /nfs/dbraw/zinc/50/32/21/563503221.db2.gz HOPHQOJDAKJTMJ-CAHLUQPWSA-N 1 0 312.176 1.766 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1nnc2ccccc2c1O ZINC000113444833 696657249 /nfs/dbraw/zinc/65/72/49/696657249.db2.gz RIXKSAUGFUBCTJ-VXGBXAGGSA-N 1 0 312.373 1.232 10 0 DDAERO COC(=O)[C@@H]1C[C@@H]1C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117093759 696670122 /nfs/dbraw/zinc/67/01/22/696670122.db2.gz BZLZATAOEIEAMC-KFWWJZLASA-N 1 0 303.358 1.613 10 0 DDAERO CCC(=O)c1cccc(S(=O)(=O)N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000124538448 696743511 /nfs/dbraw/zinc/74/35/11/696743511.db2.gz QASBXONXTUKYCQ-JSGCOSHPSA-N 1 0 310.419 1.685 10 0 DDAERO COC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000127700492 696773585 /nfs/dbraw/zinc/77/35/85/696773585.db2.gz GOPCSHUJJAIJDZ-MELADBBJSA-N 1 0 313.442 1.698 10 0 DDAERO O=C(/C=C/c1ccc(Cl)cc1)NC[C@H](O)CN1CCOCC1 ZINC000129104034 696785208 /nfs/dbraw/zinc/78/52/08/696785208.db2.gz FRAFMIVHDOKRIP-VFQAQYNWSA-N 1 0 324.808 1.163 10 0 DDAERO CSCC[C@@H]1NC(=S)N([C@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1=O ZINC000129465623 696788903 /nfs/dbraw/zinc/78/89/03/696788903.db2.gz CZGOKYVWNWOHIO-SRVKXCTJSA-N 1 0 315.508 1.554 10 0 DDAERO C[S@@](=O)CC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000134864634 696842383 /nfs/dbraw/zinc/84/23/83/696842383.db2.gz SHQOXSNOGZTQJB-YUNKPMOVSA-N 1 0 304.456 1.602 10 0 DDAERO COC[C@@]1(C)CC(=O)N(CN2CCC[C@@H](n3cc(C)cn3)C2)C1 ZINC000177147847 697409625 /nfs/dbraw/zinc/40/96/25/697409625.db2.gz PROUFQYVBMINKG-WBVHZDCISA-N 1 0 320.437 1.671 10 0 DDAERO C[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)c1ccc(N2CCOC2=O)cc1 ZINC000178467378 697424877 /nfs/dbraw/zinc/42/48/77/697424877.db2.gz RSFUTSJWVVITHZ-DGCLKSJQSA-N 1 0 303.362 1.430 10 0 DDAERO O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188731123 697563613 /nfs/dbraw/zinc/56/36/13/697563613.db2.gz KAVYKDPGYSIDNG-DZGCQCFKSA-N 1 0 323.437 1.556 10 0 DDAERO COCc1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000192527846 697631810 /nfs/dbraw/zinc/63/18/10/697631810.db2.gz BMPABZZGISRVST-ZIAGYGMSSA-N 1 0 321.421 1.752 10 0 DDAERO C[C@]1(C(=O)N[C@H]2C[NH+]3CCC2CC3)CC(c2ccccc2)=NO1 ZINC000222582901 697758058 /nfs/dbraw/zinc/75/80/58/697758058.db2.gz YMMYBETXZIQRQD-FUHWJXTLSA-N 1 0 313.401 1.780 10 0 DDAERO Cc1nn(C(C)C)c2cnn(CCC(=O)NCC[NH+](C)C)c12 ZINC000223889460 697763112 /nfs/dbraw/zinc/76/31/12/697763112.db2.gz JETIVMLWOMRVNH-UHFFFAOYSA-N 1 0 306.414 1.190 10 0 DDAERO Cc1ccccc1C(=O)N[C@@H](C(=O)NC[C@H](C)C[NH3+])C(C)C ZINC000236688490 697797941 /nfs/dbraw/zinc/79/79/41/697797941.db2.gz IJVJYEZINUCWME-IUODEOHRSA-N 1 0 305.422 1.460 10 0 DDAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)C1 ZINC000246213839 698345935 /nfs/dbraw/zinc/34/59/35/698345935.db2.gz FZVAUQVNJDAXRH-ZKYQVNSYSA-N 1 0 316.323 1.680 10 0 DDAERO COC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246457622 698349653 /nfs/dbraw/zinc/34/96/53/698349653.db2.gz MRHMHMDBRJTMQT-BFHYXJOUSA-N 1 0 313.442 1.746 10 0 DDAERO O=c1oc(-c2ccc(F)cc2)nn1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247182642 698363079 /nfs/dbraw/zinc/36/30/79/698363079.db2.gz UTJHAQGFBSIGSF-AWEZNQCLSA-N 1 0 318.352 1.380 10 0 DDAERO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H](O)c2ccc(F)cc2)C1(C)C ZINC000249069061 698386321 /nfs/dbraw/zinc/38/63/21/698386321.db2.gz KAIVIDVEGDPDHE-CKEIUWERSA-N 1 0 324.396 1.508 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](O)c2ccc(C)cc2)C1 ZINC000249758802 698397247 /nfs/dbraw/zinc/39/72/47/698397247.db2.gz JPQCNHXPTSWRFN-HZPDHXFCSA-N 1 0 305.422 1.812 10 0 DDAERO Cc1sc2ncnc(N(C)CC(=O)N3CC[NH2+]CC3)c2c1C ZINC000261813852 698439136 /nfs/dbraw/zinc/43/91/36/698439136.db2.gz ADTYCGQDONSYTH-UHFFFAOYSA-N 1 0 319.434 1.176 10 0 DDAERO CCCNC(=O)Nc1ccc(CC(=O)NC[C@H](C)[NH2+]C)cc1 ZINC000261821887 698439730 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C[NH+](C)[C@H]1CCN(C(=O)c2cc(Br)cnc2F)C1 ZINC000700901497 699224827 /nfs/dbraw/zinc/22/48/27/699224827.db2.gz GLQHBZQEODYAMD-VIFPVBQESA-N 1 0 316.174 1.759 10 0 DDAERO C[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)c1ccc(Br)cc1 ZINC000702390690 699230208 /nfs/dbraw/zinc/23/02/08/699230208.db2.gz SSPWBVYDSRQKPU-SKDRFNHKSA-N 1 0 314.227 1.515 10 0 DDAERO CCc1cc(NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc[nH+]1 ZINC000702832198 699233574 /nfs/dbraw/zinc/23/35/74/699233574.db2.gz PGGOSTRDCZERNM-SWLSCSKDSA-N 1 0 321.421 1.706 10 0 DDAERO COC(C)(C)[C@H](C)[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702851064 699234878 /nfs/dbraw/zinc/23/48/78/699234878.db2.gz MAKYKWLCJMUTKE-AVGNSLFASA-N 1 0 316.442 1.617 10 0 DDAERO CCn1ccnc1C[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000705672859 699241304 /nfs/dbraw/zinc/24/13/04/699241304.db2.gz DUBDGPSSRJEYTB-QWHCGFSZSA-N 1 0 324.425 1.220 10 0 DDAERO CC(C)NC(=O)CC[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711494525 699258517 /nfs/dbraw/zinc/25/85/17/699258517.db2.gz YHADQOPBTJESNP-UHFFFAOYSA-N 1 0 313.442 1.794 10 0 DDAERO [NH3+][C@H]1CC[C@@H](C(=O)NCc2ncc(Br)s2)C1 ZINC000714941972 699273088 /nfs/dbraw/zinc/27/30/88/699273088.db2.gz ALQATODJMWBLFC-RQJHMYQMSA-N 1 0 304.213 1.649 10 0 DDAERO CCn1nc(C)c(CN2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)c1C ZINC000888094503 709211134 /nfs/dbraw/zinc/21/11/34/709211134.db2.gz WTWSVSOORLTEJQ-CVEARBPZSA-N 1 0 317.441 1.098 10 0 DDAERO CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@H]([NH+]3CCC3)C2)C1 ZINC000912910835 713121707 /nfs/dbraw/zinc/12/17/07/713121707.db2.gz SXJLZJSLYBNWSP-KBPBESRZSA-N 1 0 323.437 1.550 10 0 DDAERO O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC[C@H]1Cn1ccnn1 ZINC000908092628 712684687 /nfs/dbraw/zinc/68/46/87/712684687.db2.gz JSROZWNVMMVDOJ-QLFBSQMISA-N 1 0 303.410 1.286 10 0 DDAERO Cn1oc(=O)c(C(=O)NCCC[NH+](C)C)c1-c1ccccc1 ZINC000074661131 185006412 /nfs/dbraw/zinc/00/64/12/185006412.db2.gz HUFBFQRLLDVNGJ-UHFFFAOYSA-N 1 0 303.362 1.327 10 0 DDAERO C[C@H](C[S@](C)=O)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000248473698 282086484 /nfs/dbraw/zinc/08/64/84/282086484.db2.gz WWWDXVRWERZGEO-ZNLKAECVSA-N 1 0 318.483 1.990 10 0 DDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC000248556614 282090302 /nfs/dbraw/zinc/09/03/02/282090302.db2.gz BVJDNCABNJCDGU-SWLSCSKDSA-N 1 0 313.405 1.930 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CCOC[C@H]2C)C[C@H]1CC ZINC000248740498 282104372 /nfs/dbraw/zinc/10/43/72/282104372.db2.gz DDUHBOJKXCGYGY-BZUAXINKSA-N 1 0 312.454 1.618 10 0 DDAERO C[NH2+][C@H]1CCC2(C[C@H]1Sc1nc(C)cc(=O)[nH]1)OCCO2 ZINC000081868714 192332927 /nfs/dbraw/zinc/33/29/27/192332927.db2.gz OMNWMJHSKUYOKR-WDEREUQCSA-N 1 0 311.407 1.054 10 0 DDAERO CCC[NH2+][C@H]1CCOC[C@H]1Sc1n[nH]c(=O)n1C(C)C ZINC000081879588 192334463 /nfs/dbraw/zinc/33/44/63/192334463.db2.gz PQQXISASTJOUOC-WDEREUQCSA-N 1 0 300.428 1.402 10 0 DDAERO C[C@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000081901503 192335650 /nfs/dbraw/zinc/33/56/50/192335650.db2.gz DBAYRJZMQLLPGB-NEPJUHHUSA-N 1 0 313.419 1.932 10 0 DDAERO CC[NH2+][C@@H]1CCOC[C@H]1S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000081930837 192340586 /nfs/dbraw/zinc/34/05/86/192340586.db2.gz OLNXZAJUTQDUOE-HZPDHXFCSA-N 1 0 309.431 1.716 10 0 DDAERO CC[C@@H](C)S(=O)(=O)C[C@@H]([NH2+]C)c1ccc2c(c1)OCCO2 ZINC000081938589 192343198 /nfs/dbraw/zinc/34/31/98/192343198.db2.gz JJUGZVRIXSXRPV-DGCLKSJQSA-N 1 0 313.419 1.932 10 0 DDAERO CCOc1ccc([C@@H](C)[NH3+])cc1CS(=O)(=O)CCOC ZINC000081944833 192344946 /nfs/dbraw/zinc/34/49/46/192344946.db2.gz UCKZZBCUNLNYJC-LLVKDONJSA-N 1 0 301.408 1.666 10 0 DDAERO C[C@@H](CC[NH3+])CCC(=O)N(CC(=O)N(C)C)CC(F)(F)F ZINC000079118597 185159249 /nfs/dbraw/zinc/15/92/49/185159249.db2.gz XEHOMKQYRURLKL-SNVBAGLBSA-N 1 0 311.348 1.231 10 0 DDAERO COC1CCC([NH2+][C@@H]2CCCN(c3nccn(C)c3=O)C2)CC1 ZINC000328651503 231286430 /nfs/dbraw/zinc/28/64/30/231286430.db2.gz VYRQLMIXRNCPQX-SHARSMKWSA-N 1 0 320.437 1.296 10 0 DDAERO O=S(=O)(C[C@H]1CC[NH2+]C1)c1ccccc1Br ZINC000083252347 185221565 /nfs/dbraw/zinc/22/15/65/185221565.db2.gz ZNUWPTDBIALEFN-VIFPVBQESA-N 1 0 304.209 1.832 10 0 DDAERO COCC[NH2+]CC1([C@H]2CS(=O)(=O)c3ccccc32)CCC1 ZINC000087412212 185224284 /nfs/dbraw/zinc/22/42/84/185224284.db2.gz LUVQLSZSLFTWPZ-AWEZNQCLSA-N 1 0 309.431 1.964 10 0 DDAERO Fc1cc(OCCN2CC[NH2+]CC2)ccc1Br ZINC000087430684 185224637 /nfs/dbraw/zinc/22/46/37/185224637.db2.gz BXHNECYTGVXZQH-UHFFFAOYSA-N 1 0 303.175 1.872 10 0 DDAERO C[C@H](C[NH3+])CN1CCCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000087639600 185229710 /nfs/dbraw/zinc/22/97/10/185229710.db2.gz KLZQGTVTGYRTEQ-GFCCVEGCSA-N 1 0 311.499 1.943 10 0 DDAERO CCCc1nsc(N2CC[NH+]([C@@H](CC)C(N)=S)CC2)n1 ZINC000087639956 185229809 /nfs/dbraw/zinc/22/98/09/185229809.db2.gz CJGSASCFEQBFHV-JTQLQIEISA-N 1 0 313.496 1.677 10 0 DDAERO CC(C)(CC[NH3+])CCC(=O)N1CCN(c2nccs2)CC1 ZINC000087682607 185230494 /nfs/dbraw/zinc/23/04/94/185230494.db2.gz PZORHHWMVOAXET-UHFFFAOYSA-N 1 0 310.467 1.947 10 0 DDAERO CCOC(=O)CN(CCOC)C(=O)CCC(C)(C)CC[NH3+] ZINC000087696281 185230761 /nfs/dbraw/zinc/23/07/61/185230761.db2.gz IMWBMVFWNAHPEM-UHFFFAOYSA-N 1 0 302.415 1.180 10 0 DDAERO Cc1nnc(SCc2nc(-c3ccco3)no2)n1CC[NH3+] ZINC000087711486 185230867 /nfs/dbraw/zinc/23/08/67/185230867.db2.gz GLKHETSHJCBHIY-UHFFFAOYSA-N 1 0 306.351 1.481 10 0 DDAERO Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1CC[NH3+] ZINC000087711349 185231050 /nfs/dbraw/zinc/23/10/50/185231050.db2.gz HNBMGDPQLIMRQC-UHFFFAOYSA-N 1 0 309.370 1.415 10 0 DDAERO [NH3+]C[C@@H](c1ccccc1Br)N1CCCNC(=O)C1 ZINC000087882615 185234511 /nfs/dbraw/zinc/23/45/11/185234511.db2.gz JXMBDOATGTUXDC-LBPRGKRZSA-N 1 0 312.211 1.271 10 0 DDAERO CN(CCC(F)(F)F)c1nc(NN)[nH+]cc1Br ZINC000087889277 185234611 /nfs/dbraw/zinc/23/46/11/185234611.db2.gz UYDMDJLROFOLCH-UHFFFAOYSA-N 1 0 314.109 1.913 10 0 DDAERO NNc1nc(N[C@@H]2C[C@H]3CC[C@@H]2O3)c(Br)c[nH+]1 ZINC000087896443 185235573 /nfs/dbraw/zinc/23/55/73/185235573.db2.gz ULRZWUOELQCDDM-NJUXHZRNSA-N 1 0 300.160 1.257 10 0 DDAERO NNc1nc(N[C@H]2CN3CCC2CC3)c(Br)c[nH+]1 ZINC000087905053 185237324 /nfs/dbraw/zinc/23/73/24/185237324.db2.gz RBSJDWKIUTVDIS-VIFPVBQESA-N 1 0 313.203 1.031 10 0 DDAERO [NH3+]C[C@@H](NCCCO)c1cc(Cl)c2c(c1)OCCCO2 ZINC000087929879 185237558 /nfs/dbraw/zinc/23/75/58/185237558.db2.gz TVTJWLWBWHVJOM-GFCCVEGCSA-N 1 0 300.786 1.473 10 0 DDAERO Cc1c(NN)[nH+]c(C2CC2)nc1-n1cc(Br)cn1 ZINC000087919068 185237746 /nfs/dbraw/zinc/23/77/46/185237746.db2.gz XXSXPFBGQGTTOW-UHFFFAOYSA-N 1 0 309.171 1.896 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1ccccc1I ZINC000088002577 185237848 /nfs/dbraw/zinc/23/78/48/185237848.db2.gz UGARXRPLGVGTJW-MRVPVSSYSA-N 1 0 320.130 1.203 10 0 DDAERO NNc1nc(NCC2(O)CCCC2)c(Br)c[nH+]1 ZINC000087883674 185234275 /nfs/dbraw/zinc/23/42/75/185234275.db2.gz LQIAEKGOICQPHO-UHFFFAOYSA-N 1 0 302.176 1.242 10 0 DDAERO CCCNS(=O)(=O)c1ccccc1N1CC[NH2+]CC1(C)C ZINC000088147158 185240623 /nfs/dbraw/zinc/24/06/23/185240623.db2.gz BBMUBGDRMIWWEN-UHFFFAOYSA-N 1 0 311.451 1.563 10 0 DDAERO CN(CCc1ccccc1)[C@]1(C[NH3+])CCC[C@@H]1S(C)(=O)=O ZINC000088194137 185241448 /nfs/dbraw/zinc/24/14/48/185241448.db2.gz HDQYAPUMYXQXTP-HOTGVXAUSA-N 1 0 310.463 1.456 10 0 DDAERO C[NH2+]Cc1nnnn1-c1cc(Cl)ccc1Br ZINC000088123591 185240084 /nfs/dbraw/zinc/24/00/84/185240084.db2.gz PBJBOWKXZZEVEI-UHFFFAOYSA-N 1 0 302.563 1.798 10 0 DDAERO CC[NH2+][C@@H]1CCCCCC[C@@H]1S(=O)(=O)CCC(=O)OC ZINC000081974911 192348405 /nfs/dbraw/zinc/34/84/05/192348405.db2.gz LKJOHOWDSFEUBY-OLZOCXBDSA-N 1 0 305.440 1.665 10 0 DDAERO CNS(=O)(=O)c1ccc(CNC[C@H](C)C[NH+]2CCCC2)o1 ZINC000088540720 185255790 /nfs/dbraw/zinc/25/57/90/185255790.db2.gz DDYLGDMJMNDXRW-LBPRGKRZSA-N 1 0 315.439 1.009 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N2C[C@@H](C)OC(C)(C)C2)o1 ZINC000088544264 185256612 /nfs/dbraw/zinc/25/66/12/185256612.db2.gz QSHSYTAHXHXRLT-SNVBAGLBSA-N 1 0 302.396 1.187 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(C)CC(F)(F)F)o1 ZINC000088543979 185256690 /nfs/dbraw/zinc/25/66/90/185256690.db2.gz ZFXVIJSWZKZQCV-UHFFFAOYSA-N 1 0 300.302 1.572 10 0 DDAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2sc3nccnc3c2N)C1 ZINC000088640945 185260643 /nfs/dbraw/zinc/26/06/43/185260643.db2.gz UXTBJHMZSSJBIK-VIFPVBQESA-N 1 0 305.407 1.345 10 0 DDAERO C[C@]1(c2ccccc2)CN([C@H]2C=CS(=O)(=O)C2)CCC[NH2+]1 ZINC000088860302 185267350 /nfs/dbraw/zinc/26/73/50/185267350.db2.gz MLXWFGFIPCLMNZ-JKSUJKDBSA-N 1 0 306.431 1.508 10 0 DDAERO CCOc1cnc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)cn1 ZINC000249139654 539273331 /nfs/dbraw/zinc/27/33/31/539273331.db2.gz IVQHUOWTMRPSPK-OLZOCXBDSA-N 1 0 304.394 1.574 10 0 DDAERO [NH3+][C@H]1c2ccccc2CCC[C@@H]1S(=O)(=O)C1CCOCC1 ZINC000081989960 192350634 /nfs/dbraw/zinc/35/06/34/192350634.db2.gz PILDAWMKPWWPKL-HOTGVXAUSA-N 1 0 309.431 1.985 10 0 DDAERO Cc1cncc(/C=C\C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1 ZINC000254952606 282220189 /nfs/dbraw/zinc/22/01/89/282220189.db2.gz UHGZWQXOJFFWJC-VQGNRHNMSA-N 1 0 303.406 1.317 10 0 DDAERO CC[NH2+][C@@H](C[S@](=O)CCS(C)(=O)=O)c1ccccc1C ZINC000082006768 192353386 /nfs/dbraw/zinc/35/33/86/192353386.db2.gz NOENGYPAYTTYPR-LIRRHRJNSA-N 1 0 317.476 1.439 10 0 DDAERO CCCn1cc(Cl)cc1C(=O)N1CCN(C2C[NH2+]C2)CC1 ZINC000090306918 185290194 /nfs/dbraw/zinc/29/01/94/185290194.db2.gz LBCAFTWYTJCIDE-UHFFFAOYSA-N 1 0 310.829 1.281 10 0 DDAERO O=C(c1ccc(Br)cc1)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308828 185290223 /nfs/dbraw/zinc/29/02/23/185290223.db2.gz JZSCQWDQVIZLHF-UHFFFAOYSA-N 1 0 324.222 1.179 10 0 DDAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000090327877 185291256 /nfs/dbraw/zinc/29/12/56/185291256.db2.gz FWKDZEMNPMBLPT-CKYFFXLPSA-N 1 0 311.788 1.957 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cncc(Br)c1 ZINC000090335835 185291584 /nfs/dbraw/zinc/29/15/84/185291584.db2.gz PCCNJOIIXGDJGE-ZYHUDNBSSA-N 1 0 324.222 1.914 10 0 DDAERO CN(C1CCCCC1)S(=O)(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000090337062 185291890 /nfs/dbraw/zinc/29/18/90/185291890.db2.gz OXHAJHSYVZAIEG-JSGCOSHPSA-N 1 0 315.483 1.426 10 0 DDAERO CC(C)c1ccc([C@@H]([NH3+])C[S@@](=O)CCS(C)(=O)=O)cc1 ZINC000081991965 192352776 /nfs/dbraw/zinc/35/27/76/192352776.db2.gz DYFHRHGDYAQRDP-IFXJQAMLSA-N 1 0 317.476 1.603 10 0 DDAERO CC[NH2+][C@H]1COC[C@@H]1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000090492203 185298997 /nfs/dbraw/zinc/29/89/97/185298997.db2.gz HCGNMLSFVATDQD-GWCFXTLKSA-N 1 0 300.761 1.720 10 0 DDAERO [NH3+][C@@H]1COC[C@@H]1C(=O)Nc1ccccc1OCC(F)(F)F ZINC000090380195 185293679 /nfs/dbraw/zinc/29/36/79/185293679.db2.gz XCAYXYVVPRFOBS-DTWKUNHWSA-N 1 0 304.268 1.540 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000090438676 185296719 /nfs/dbraw/zinc/29/67/19/185296719.db2.gz CJFRHAGVGAYEMF-CJNGLKHVSA-N 1 0 309.841 1.696 10 0 DDAERO COCCC[S@@](=O)C[C@@H]([NH3+])c1cc(OC)ccc1OC ZINC000081998902 192353793 /nfs/dbraw/zinc/35/37/93/192353793.db2.gz XYVCOJVSRYMLEV-XCLFUZPHSA-N 1 0 301.408 1.489 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccnc(NC)c1 ZINC000092672999 185333155 /nfs/dbraw/zinc/33/31/55/185333155.db2.gz HDWKGYJHNDNZCD-LBPRGKRZSA-N 1 0 312.439 1.228 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(N)c(C)c1 ZINC000092622650 185330135 /nfs/dbraw/zinc/33/01/35/185330135.db2.gz IJJUEPIORVBGSS-CYBMUJFWSA-N 1 0 311.451 1.682 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccccc1F ZINC000092627828 185330588 /nfs/dbraw/zinc/33/05/88/185330588.db2.gz SYUAFPBBIFWPDD-LBPRGKRZSA-N 1 0 300.399 1.931 10 0 DDAERO C[C@H](NC(=O)c1cn(C2C[NH2+]C2)nn1)c1ccc(Cl)cc1 ZINC000092701883 185333703 /nfs/dbraw/zinc/33/37/03/185333703.db2.gz JZHIYJFGRUQROV-VIFPVBQESA-N 1 0 305.769 1.567 10 0 DDAERO Clc1ccccc1-c1noc(-c2cn(C3C[NH2+]C3)nn2)n1 ZINC000092699479 185333773 /nfs/dbraw/zinc/33/37/73/185333773.db2.gz PFAZTKJFCFVSOD-UHFFFAOYSA-N 1 0 302.725 1.793 10 0 DDAERO CCCN(C1(C[NH3+])CCCC1)S(=O)(=O)c1cn(CC)cn1 ZINC000092889816 185347913 /nfs/dbraw/zinc/34/79/13/185347913.db2.gz PTXFWYPJJAXQOE-UHFFFAOYSA-N 1 0 314.455 1.575 10 0 DDAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000092952916 185350403 /nfs/dbraw/zinc/35/04/03/185350403.db2.gz YRRZPLLNGQXKPM-DTWKUNHWSA-N 1 0 318.345 1.619 10 0 DDAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000092951890 185350437 /nfs/dbraw/zinc/35/04/37/185350437.db2.gz JGWVHLDFXLLHMB-WPRPVWTQSA-N 1 0 316.810 1.680 10 0 DDAERO CCN(C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)C1)CC(F)(F)F ZINC000262669362 282293538 /nfs/dbraw/zinc/29/35/38/282293538.db2.gz MJEZOIDXOCHGPI-RWMBFGLXSA-N 1 0 321.387 1.847 10 0 DDAERO C[NH+]1CCC(Cc2nc([C@@H]3CN(C4CC4)CCO3)no2)CC1 ZINC000329583857 530049598 /nfs/dbraw/zinc/04/95/98/530049598.db2.gz LUUXOLAKAYNRBS-AWEZNQCLSA-N 1 0 306.410 1.490 10 0 DDAERO C[C@H]([NH3+])Cc1c(Sc2nnnn2C2CC2)nc2sccn12 ZINC000111582015 185614608 /nfs/dbraw/zinc/61/46/08/185614608.db2.gz OYZIBIXXRMHXQT-ZETCQYMHSA-N 1 0 321.435 1.758 10 0 DDAERO C[NH2+][C@H](C)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000111714173 185629101 /nfs/dbraw/zinc/62/91/01/185629101.db2.gz ICALGPMCNANXAF-VXGBXAGGSA-N 1 0 300.399 1.834 10 0 DDAERO C[NH2+][C@@H](C)[C@@H]1CCCN(S(=O)(=O)c2ccccc2F)C1 ZINC000111713943 185629230 /nfs/dbraw/zinc/62/92/30/185629230.db2.gz YKKQRHSFCREUKR-NWDGAFQWSA-N 1 0 300.399 1.834 10 0 DDAERO CCC[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 ZINC000111719463 185630584 /nfs/dbraw/zinc/63/05/84/185630584.db2.gz SVHWWJPCYKFGJQ-ZDUSSCGKSA-N 1 0 314.455 1.427 10 0 DDAERO CCC[NH2+]C[C@@H]1CCCN(S(=O)(=O)C2CCOCC2)C1 ZINC000111719570 185630848 /nfs/dbraw/zinc/63/08/48/185630848.db2.gz RHKVUONGFYBUTF-ZDUSSCGKSA-N 1 0 304.456 1.207 10 0 DDAERO Cc1ccc(C[C@H](C)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000181977233 199370293 /nfs/dbraw/zinc/37/02/93/199370293.db2.gz BBQGELDFFIVAGE-RDJZCZTQSA-N 1 0 304.434 1.963 10 0 DDAERO CC(C)S(=O)(=O)N1[C@H](CC[NH3+])CCC[C@H]1C(F)(F)F ZINC000675074141 539562964 /nfs/dbraw/zinc/56/29/64/539562964.db2.gz YJOPYPTUXIUKFP-UWVGGRQHSA-N 1 0 302.362 1.859 10 0 DDAERO C[NH2+]CC[C@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000070194444 190871019 /nfs/dbraw/zinc/87/10/19/190871019.db2.gz ABZWNDBVCVAEGR-GFCCVEGCSA-N 1 0 307.419 1.600 10 0 DDAERO COCc1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2cnccn2)n1 ZINC000070456317 190896779 /nfs/dbraw/zinc/89/67/79/190896779.db2.gz ACXLSVHEISNVBZ-GFCCVEGCSA-N 1 0 314.393 1.492 10 0 DDAERO COCCc1noc(-c2cccnc2N2CCC[C@@H]([NH3+])C2)n1 ZINC000070457979 190897051 /nfs/dbraw/zinc/89/70/51/190897051.db2.gz ONUZJYFLRQLUDP-LLVKDONJSA-N 1 0 303.366 1.248 10 0 DDAERO [NH3+][C@@H]1CCN(c2ncccc2-c2nc(-c3cccnc3)no2)C1 ZINC000070458038 190897521 /nfs/dbraw/zinc/89/75/21/190897521.db2.gz SBGQHQOQTVTRON-GFCCVEGCSA-N 1 0 308.345 1.731 10 0 DDAERO CC(C)[NH2+][C@@](C)(CO)CCOc1ccc(S(C)(=O)=O)cc1 ZINC000070519688 190903216 /nfs/dbraw/zinc/90/32/16/190903216.db2.gz RMUGMEZWZDQNFY-OAHLLOKOSA-N 1 0 315.435 1.608 10 0 DDAERO COC(=O)COC[C@@H]([NH3+])c1cc(F)c(Br)cc1F ZINC000070473551 190901023 /nfs/dbraw/zinc/90/10/23/190901023.db2.gz SRIFBCIGLMKMKG-SNVBAGLBSA-N 1 0 324.121 1.917 10 0 DDAERO CC[C@@H]([NH3+])c1cccc(S(=O)(=O)N(C)Cc2nc[nH]n2)c1 ZINC000080531873 192166048 /nfs/dbraw/zinc/16/60/48/192166048.db2.gz JAZSZKFXMHSROQ-GFCCVEGCSA-N 1 0 309.395 1.035 10 0 DDAERO Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000083700807 192379753 /nfs/dbraw/zinc/37/97/53/192379753.db2.gz NECUFGDTRGCWIJ-AWEZNQCLSA-N 1 0 320.441 1.453 10 0 DDAERO C[C@@H]([NH3+])C1CCN(c2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000071390746 190965112 /nfs/dbraw/zinc/96/51/12/190965112.db2.gz DETATRODFHCXQY-SECBINFHSA-N 1 0 301.387 1.037 10 0 DDAERO COC(=O)[C@@H](C)CN(CC[NH+](C)C)C(=O)c1ccccc1C ZINC000071607365 190993639 /nfs/dbraw/zinc/99/36/39/190993639.db2.gz SCVGXNFXJMNOQQ-AWEZNQCLSA-N 1 0 306.406 1.808 10 0 DDAERO Cc1nc(CCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)sc1C ZINC000177889010 186199299 /nfs/dbraw/zinc/19/92/99/186199299.db2.gz ANUHICMZFYUUHW-CYBMUJFWSA-N 1 0 308.451 1.792 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)/C=C/c2ccc[nH]2)C[C@H]1CC ZINC000188035460 186247164 /nfs/dbraw/zinc/24/71/64/186247164.db2.gz FHQGFQMWBMMIQC-KXPUMZMLSA-N 1 0 305.422 1.987 10 0 DDAERO CC(=O)Nc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171887265 198000753 /nfs/dbraw/zinc/00/07/53/198000753.db2.gz FWQRNMKSAFYUSB-OAHLLOKOSA-N 1 0 302.378 1.957 10 0 DDAERO Cc1cc(C)n(CCCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000171897539 198004292 /nfs/dbraw/zinc/00/42/92/198004292.db2.gz PBADOSDMPCKKAK-HNNXBMFYSA-N 1 0 305.426 1.380 10 0 DDAERO Cc1cnn(CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000173202385 198195250 /nfs/dbraw/zinc/19/52/50/198195250.db2.gz VQKROLQUVDUHEV-GOOCMWNKSA-N 1 0 305.426 1.506 10 0 DDAERO CN(C)C(=O)CCCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000173722152 198243815 /nfs/dbraw/zinc/24/38/15/198243815.db2.gz CYDLDTOICFGRIF-OAHLLOKOSA-N 1 0 305.422 1.664 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2cc(F)ccc2F)C1 ZINC000173886333 198265373 /nfs/dbraw/zinc/26/53/73/198265373.db2.gz NZUBVMYYZQRHNC-MFKMUULPSA-N 1 0 318.389 1.972 10 0 DDAERO CC(=O)N(C)CC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000173929411 198270566 /nfs/dbraw/zinc/27/05/66/198270566.db2.gz KKUVRXUTHACNGW-GFCCVEGCSA-N 1 0 300.362 1.528 10 0 DDAERO CC[C@@H]1CN(c2ccc(C(=O)N(C)C)cn2)CC[N@@H+]1CCOC ZINC000174737130 198378345 /nfs/dbraw/zinc/37/83/45/198378345.db2.gz IAFNAFUJWWZRNI-OAHLLOKOSA-N 1 0 320.437 1.330 10 0 DDAERO COc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)c(C)cc1N ZINC000114003054 353978248 /nfs/dbraw/zinc/97/82/48/353978248.db2.gz VYNXIJBBRYKFMM-UHFFFAOYSA-N 1 0 318.465 1.802 10 0 DDAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cc3cc4ccccc4[nH]c3=O)C[C@H]12 ZINC000253559729 354387402 /nfs/dbraw/zinc/38/74/02/354387402.db2.gz ZRUYXENLHCCXPB-VHDGCEQUSA-N 1 0 311.385 1.679 10 0 DDAERO CC(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000302847187 354460356 /nfs/dbraw/zinc/46/03/56/354460356.db2.gz KVZIBTBIGBNNTD-NVXWUHKLSA-N 1 0 321.465 1.768 10 0 DDAERO Cc1cccc(S(=O)(=O)N(C)[C@@H]2CCC[NH2+]CC2)c1F ZINC000313224790 354479321 /nfs/dbraw/zinc/47/93/21/354479321.db2.gz AJJCAAMZGARMIC-GFCCVEGCSA-N 1 0 300.399 1.897 10 0 DDAERO CCn1cnnc1[C@H]1CN(Cc2c[nH+]ccc2N(C)C)CCO1 ZINC000328623343 354549549 /nfs/dbraw/zinc/54/95/49/354549549.db2.gz 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CCC[C@H](C)N(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]C1CC1 ZINC000088964880 192673217 /nfs/dbraw/zinc/67/32/17/192673217.db2.gz QXFUWLLYINFTCX-DZGCQCFKSA-N 1 0 317.499 1.958 10 0 DDAERO CCOc1cc(N)c(Cl)cc1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000005863067 181290896 /nfs/dbraw/zinc/29/08/96/181290896.db2.gz HQOQHUQAQLNFOP-SECBINFHSA-N 1 0 313.785 1.039 10 0 in-vitro DDAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(N2CCOC2=O)cc1 ZINC000180489623 199166329 /nfs/dbraw/zinc/16/63/29/199166329.db2.gz XWGURGPRENVQPA-CZUORRHYSA-N 1 0 319.405 1.624 10 0 DDAERO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000180677003 199195425 /nfs/dbraw/zinc/19/54/25/199195425.db2.gz JNLHGVACAOZHOD-VXGBXAGGSA-N 1 0 315.377 1.367 10 0 DDAERO C[C@@H]1CC[C@@H](Nc2ncc(I)cn2)C[NH2+]1 ZINC000600955015 358355802 /nfs/dbraw/zinc/35/58/02/358355802.db2.gz ICHJLNHDISFIBU-VXNVDRBHSA-N 1 0 318.162 1.634 10 0 DDAERO Cc1[nH]nc(S(=O)(=O)N[C@H]2CC2(C)C)c1C[NH2+]C(C)C ZINC000089014527 192698330 /nfs/dbraw/zinc/69/83/30/192698330.db2.gz JXERBSCZIWZNJT-NSHDSACASA-N 1 0 300.428 1.293 10 0 DDAERO CC[C@@H](C)CNS(=O)(=O)N1CCCC[C@@H]1C[NH2+]C1CC1 ZINC000089026028 192704514 /nfs/dbraw/zinc/70/45/14/192704514.db2.gz GEJSWVUSAOUDLF-TZMCWYRMSA-N 1 0 303.472 1.473 10 0 DDAERO COCCNS(=O)(=O)c1cc(Cl)cc(C[NH3+])c1Cl ZINC000089025419 192704871 /nfs/dbraw/zinc/70/48/71/192704871.db2.gz PVBGZTOLRBJPIP-UHFFFAOYSA-N 1 0 313.206 1.377 10 0 DDAERO C[C@@H]1CCC[C@](C[NH2+]C2CC2)(CN2CCS(=O)(=O)CC2)C1 ZINC000089616363 192827085 /nfs/dbraw/zinc/82/70/85/192827085.db2.gz VEWZIOCUADABOL-ZBFHGGJFSA-N 1 0 314.495 1.665 10 0 DDAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc(OCC(F)F)ccn3)C[C@@H]12 ZINC000186917828 200030207 /nfs/dbraw/zinc/03/02/07/200030207.db2.gz IHRKRQCYXHYXFA-MVWJERBFSA-N 1 0 311.332 1.535 10 0 DDAERO CC(C)(C)[NH2+]CCn1nnnc1S[C@@H]1CCCCC[C@H]1O ZINC000089690758 192844348 /nfs/dbraw/zinc/84/43/48/192844348.db2.gz KIHFJLMUJLAIIO-VXGBXAGGSA-N 1 0 313.471 1.847 10 0 DDAERO [NH3+]CCn1cc(C(=O)Nc2cccc(Cl)c2Cl)nn1 ZINC000089698435 192845137 /nfs/dbraw/zinc/84/51/37/192845137.db2.gz CAVVGAIXRHBITF-UHFFFAOYSA-N 1 0 300.149 1.796 10 0 DDAERO Cc1nn(C)c(CN2C[C@H](C)[C@H](C[NH3+])C2)c1Br ZINC000634999544 422759982 /nfs/dbraw/zinc/75/99/82/422759982.db2.gz WAUMHOMDUIZXAG-WCBMZHEXSA-N 1 0 301.232 1.518 10 0 DDAERO O=C(NCC[C@H]1CCC[NH2+]C1)c1cn(Cc2cccs2)nn1 ZINC000237884706 202378823 /nfs/dbraw/zinc/37/88/23/202378823.db2.gz HLQVWXDNNQLISC-GFCCVEGCSA-N 1 0 319.434 1.507 10 0 DDAERO CCn1ncnc1CN1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000193354326 201036876 /nfs/dbraw/zinc/03/68/76/201036876.db2.gz GQRPDLZXNQGWDA-AWEZNQCLSA-N 1 0 300.410 1.935 10 0 DDAERO Cc1cc(S(=O)(=O)N[C@H]2CCC[NH2+][C@@H]2C)c(F)cc1F ZINC000193456607 201055155 /nfs/dbraw/zinc/05/51/55/201055155.db2.gz LNQWPRRFBAHQRJ-SKDRFNHKSA-N 1 0 304.362 1.692 10 0 DDAERO COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1OC(=O)c1ccccc1)[N@@H+]2C ZINC000006482440 181344401 /nfs/dbraw/zinc/34/44/01/181344401.db2.gz ZPUCINDJVBIVPJ-CBBWQLFWSA-N 1 0 303.358 1.868 10 0 biogenic,in-vitro DDAERO [NH3+][C@H]1CCCN(C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)C1 ZINC000195116888 201341730 /nfs/dbraw/zinc/34/17/30/201341730.db2.gz XWWLDGNPRSJXRH-ZFWWWQNUSA-N 1 0 317.389 1.367 10 0 DDAERO CC(C)NC(=O)CC[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195275714 201370442 /nfs/dbraw/zinc/37/04/42/201370442.db2.gz UXLQURZFLACSLN-KRWDZBQOSA-N 1 0 318.465 1.750 10 0 DDAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(CC(=O)NCC2CC2)C1 ZINC000195295267 201375461 /nfs/dbraw/zinc/37/54/61/201375461.db2.gz WFUXHAOAJBCCME-QGZVFWFLSA-N 1 0 316.449 1.362 10 0 DDAERO Cc1nc(N2CCSC[C@@H]2S(C)(=O)=O)sc1[C@@H](C)[NH3+] ZINC000090924449 192947920 /nfs/dbraw/zinc/94/79/20/192947920.db2.gz UKORYNZGJIUROC-APPZFPTMSA-N 1 0 321.493 1.395 10 0 DDAERO Cn1nc(C(=O)NCC[NH+](C)C)c2c1-c1ccccc1SC2 ZINC000006817611 181394345 /nfs/dbraw/zinc/39/43/45/181394345.db2.gz WATMGDVJBRLXTE-UHFFFAOYSA-N 1 0 316.430 1.984 10 0 DDAERO COC(=O)c1cc(Cl)ccc1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000091299775 193033822 /nfs/dbraw/zinc/03/38/22/193033822.db2.gz AHFDMSBXRUPWSH-JTQLQIEISA-N 1 0 312.753 1.444 10 0 DDAERO O=C(C[C@@H]1C[NH2+]CCO1)Nc1ccc(F)cc1Br ZINC000091299284 193033859 /nfs/dbraw/zinc/03/38/59/193033859.db2.gz RHXVOXICBGKPQZ-SECBINFHSA-N 1 0 317.158 1.905 10 0 DDAERO CS(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000091544451 193071752 /nfs/dbraw/zinc/07/17/52/193071752.db2.gz DBGFPWJNVQACFR-DTWKUNHWSA-N 1 0 316.810 1.809 10 0 DDAERO CCn1nc(C)c(Br)c1C[C@@H](O)C[NH2+]C1CC1 ZINC000091467849 193060104 /nfs/dbraw/zinc/06/01/04/193060104.db2.gz RRLLLGBNCPPGNW-SNVBAGLBSA-N 1 0 302.216 1.629 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(Br)c(C)n1 ZINC000091507161 193066772 /nfs/dbraw/zinc/06/67/72/193066772.db2.gz UUHVTFZHJCGTQK-WCBMZHEXSA-N 1 0 314.183 1.325 10 0 DDAERO Nc1cccc(Cl)c1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091662030 193086478 /nfs/dbraw/zinc/08/64/78/193086478.db2.gz AGAJPNZSLGMCHZ-GHMZBOCLSA-N 1 0 309.797 1.515 10 0 DDAERO C[NH2+][C@H](Cc1ccccc1Br)[C@@H]1CN(C)CCO1 ZINC000091718151 193097095 /nfs/dbraw/zinc/09/70/95/193097095.db2.gz KEOQGFWPTSLHRT-KGLIPLIRSA-N 1 0 313.239 1.910 10 0 DDAERO Cn1cnnc1CCC(=O)N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000091625419 193081925 /nfs/dbraw/zinc/08/19/25/193081925.db2.gz WHGLACDQGDBWFQ-OAHLLOKOSA-N 1 0 319.453 1.472 10 0 DDAERO CCCN(C1CCC([NH3+])CC1)S(=O)(=O)c1c(C)n[nH]c1C ZINC000091852182 193117700 /nfs/dbraw/zinc/11/77/00/193117700.db2.gz RYAZLBGKBPBNRS-UHFFFAOYSA-N 1 0 314.455 1.697 10 0 DDAERO CCC[NH2+]C1CCC(N(C)C(=O)C(C)(C)S(C)(=O)=O)CC1 ZINC000091869750 193120947 /nfs/dbraw/zinc/12/09/47/193120947.db2.gz VMZVGUWXZUNZCV-UHFFFAOYSA-N 1 0 318.483 1.579 10 0 DDAERO CCn1cc(S(=O)(=O)N(C)C2CCC([NH2+]C)CC2)nc1C ZINC000091869978 193120971 /nfs/dbraw/zinc/12/09/71/193120971.db2.gz HGHLDBIQEIUTEA-UHFFFAOYSA-N 1 0 314.455 1.363 10 0 DDAERO C[NH2+]C1CCC(N(C)S(=O)(=O)CCc2ccncc2)CC1 ZINC000091869997 193121380 /nfs/dbraw/zinc/12/13/80/193121380.db2.gz DLNVFZNFJGTSEE-UHFFFAOYSA-N 1 0 311.451 1.416 10 0 DDAERO CCOC(=O)[C@@H]1C[NH2+]CCN1C[C@@H]1CSc2ccccc21 ZINC000092290705 193186307 /nfs/dbraw/zinc/18/63/07/193186307.db2.gz KAEIQPFRHSMLLT-OCCSQVGLSA-N 1 0 306.431 1.713 10 0 DDAERO [NH3+]C[C@H]1CC[C@@H](C(=O)NCc2cnn(Cc3ccccc3)c2)O1 ZINC000261667220 203089866 /nfs/dbraw/zinc/08/98/66/203089866.db2.gz GDAPGAQJTBPOKM-CVEARBPZSA-N 1 0 314.389 1.054 10 0 DDAERO Cn1cc(Br)cc1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261589259 203077910 /nfs/dbraw/zinc/07/79/10/203077910.db2.gz WEUBCCOMIBXNGQ-INTQDDNPSA-N 1 0 312.211 1.597 10 0 DDAERO CCc1ccccc1CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262360579 203273021 /nfs/dbraw/zinc/27/30/21/203273021.db2.gz VDZORQQGDHZLLF-SJORKVTESA-N 1 0 312.417 1.602 10 0 DDAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)c1cc(C2CC2)[nH]n1 ZINC000262321193 203260952 /nfs/dbraw/zinc/26/09/52/203260952.db2.gz CJNSRTWWLSLURN-UHFFFAOYSA-N 1 0 315.381 1.135 10 0 DDAERO Cc1ccc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1NC(=O)C(C)(C)C ZINC000262379620 203278502 /nfs/dbraw/zinc/27/85/02/203278502.db2.gz LGOJSCHYFLFZQG-JSGCOSHPSA-N 1 0 319.405 1.641 10 0 DDAERO CCC[C@@](C)([NH3+])C(=O)NCc1cccnc1OCC(F)F ZINC000262597681 203344227 /nfs/dbraw/zinc/34/42/27/203344227.db2.gz XOWCFOCNAIONRU-CQSZACIVSA-N 1 0 301.337 1.859 10 0 DDAERO CC(C)(C[NH2+]C[C@@H]1Cc2cc(F)ccc2O1)S(C)(=O)=O ZINC000093519760 193262603 /nfs/dbraw/zinc/26/26/03/193262603.db2.gz QDJLBGVKWCEVSA-LBPRGKRZSA-N 1 0 301.383 1.542 10 0 DDAERO CC(C)C[C@H](C)OC[C@H](O)C[NH2+]CC(C)(C)S(C)(=O)=O ZINC000093519565 193262905 /nfs/dbraw/zinc/26/29/05/193262905.db2.gz OVCCLIDYPLJZPI-QWHCGFSZSA-N 1 0 309.472 1.211 10 0 DDAERO CC(C)[C@H]1CN(CC(C)(C)S(C)(=O)=O)[C@@H](C(C)C)C[NH2+]1 ZINC000093525764 193263817 /nfs/dbraw/zinc/26/38/17/193263817.db2.gz MIMJKXJMRSOINI-ZIAGYGMSSA-N 1 0 304.500 1.764 10 0 DDAERO CS(=O)(=O)c1cccc(OCC[C@H]2CCC[C@@]2([NH3+])CO)c1 ZINC000093621840 193275160 /nfs/dbraw/zinc/27/51/60/193275160.db2.gz CHTXYWVEHFPYHM-IUODEOHRSA-N 1 0 313.419 1.349 10 0 DDAERO COC(=O)[C@]1([NH3+])CCC[C@@H]1CCSc1nc(C)cc(=O)[nH]1 ZINC000093629323 193276613 /nfs/dbraw/zinc/27/66/13/193276613.db2.gz GHRIGEDMCLTQHD-YGRLFVJLSA-N 1 0 311.407 1.231 10 0 DDAERO [NH3+]C[C@]1(O)CCC[C@H]1CCN1CCN(CC(F)(F)F)CC1 ZINC000093626896 193276901 /nfs/dbraw/zinc/27/69/01/193276901.db2.gz FAFZAPSFZJIZOF-QWHCGFSZSA-N 1 0 309.376 1.046 10 0 DDAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)o1 ZINC000093696457 193291746 /nfs/dbraw/zinc/29/17/46/193291746.db2.gz MKVBPOKLESBPSV-OLZOCXBDSA-N 1 0 300.424 1.910 10 0 DDAERO CS(=O)(=O)N1CCC[C@@H](C[NH2+]CCc2ccccc2F)C1 ZINC000093696120 193291959 /nfs/dbraw/zinc/29/19/59/193291959.db2.gz LJTYGIRRDOIXBL-ZDUSSCGKSA-N 1 0 314.426 1.629 10 0 DDAERO CS(=O)(=O)N1CCC[C@H](COC[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000093697851 193292422 /nfs/dbraw/zinc/29/24/22/193292422.db2.gz NLQKEWUQNUXAMY-MJBXVCDLSA-N 1 0 304.456 1.050 10 0 DDAERO CS(=O)(=O)N1CCC[C@H](COCC2([NH3+])CCCCCC2)C1 ZINC000093697843 193292450 /nfs/dbraw/zinc/29/24/50/193292450.db2.gz MQWCUDOITGVQMW-AWEZNQCLSA-N 1 0 318.483 1.726 10 0 DDAERO CC(C)[C@H]([NH3+])c1ccn(C[C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000093698585 193292825 /nfs/dbraw/zinc/29/28/25/193292825.db2.gz DZBKCSYSUBCYQJ-ZFWWWQNUSA-N 1 0 313.467 1.816 10 0 DDAERO CC[C@@H]([NH2+]C)c1ccn(C[C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000093698578 193292836 /nfs/dbraw/zinc/29/28/36/193292836.db2.gz DIWNPNVIZITKSQ-DZGCQCFKSA-N 1 0 313.467 1.830 10 0 DDAERO CC[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccncn1 ZINC000093700345 193293858 /nfs/dbraw/zinc/29/38/58/193293858.db2.gz MPPABMGSPSOSTG-OCCSQVGLSA-N 1 0 312.439 1.189 10 0 DDAERO C[NH2+][C@H](Cc1ccncc1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700222 193293890 /nfs/dbraw/zinc/29/38/90/193293890.db2.gz NAIPTZWMPLADRW-HUUCEWRRSA-N 1 0 311.451 1.274 10 0 DDAERO COc1ccccc1[C@H]([NH3+])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093699775 193294158 /nfs/dbraw/zinc/29/41/58/193294158.db2.gz GAPPFDJYETTXAC-GXTWGEPZSA-N 1 0 312.435 1.757 10 0 DDAERO C[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1ncccc1C ZINC000093700151 193294287 /nfs/dbraw/zinc/29/42/87/193294287.db2.gz RAAVSMUYSUOQDZ-ZIAGYGMSSA-N 1 0 311.451 1.712 10 0 DDAERO CC[C@@](C)(C[NH2+]CCOC)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701568 193294540 /nfs/dbraw/zinc/29/45/40/193294540.db2.gz ABASMGRBCCZBGE-LSDHHAIUSA-N 1 0 320.499 1.700 10 0 DDAERO CC[NH+](CC)C(C)(C)[C@@H](N)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700716 193294954 /nfs/dbraw/zinc/29/49/54/193294954.db2.gz AFZFSIUNTSKECV-KBPBESRZSA-N 1 0 319.515 1.496 10 0 DDAERO CC(C)[NH2+]C[C@@]1(C[C@@H]2CCCN(S(C)(=O)=O)C2)CCOC1 ZINC000093701596 193295012 /nfs/dbraw/zinc/29/50/12/193295012.db2.gz USBCWYCYMCCYFH-GJZGRUSLSA-N 1 0 318.483 1.453 10 0 DDAERO CC[NH2+][C@@]1(C(N)=O)CCC[C@H](n2cc(Br)cn2)C1 ZINC000093758696 193301810 /nfs/dbraw/zinc/30/18/10/193301810.db2.gz NEDBEOMULOQPTK-JQWIXIFHSA-N 1 0 315.215 1.594 10 0 DDAERO COC(=O)[C@@]1([NH3+])CCC[C@@H](Sc2n[nH]c(=O)n2C(C)C)C1 ZINC000093779644 193305713 /nfs/dbraw/zinc/30/57/13/193305713.db2.gz AVFJSLDMCQBCGH-NOZJJQNGSA-N 1 0 314.411 1.058 10 0 DDAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@@H](Sc2nnc(C)n2C)C1 ZINC000093779998 193306392 /nfs/dbraw/zinc/30/63/92/193306392.db2.gz BBIBHEHHFAHDGN-BXUZGUMPSA-N 1 0 311.455 1.382 10 0 DDAERO CC(C)OCCS(=O)(=O)Nc1cccc(OCC[NH3+])c1 ZINC000093664707 193286658 /nfs/dbraw/zinc/28/66/58/193286658.db2.gz NQTBGOHBVQAPPJ-UHFFFAOYSA-N 1 0 302.396 1.191 10 0 DDAERO CCC[NH2+]C[C@@H]1CCCN(S(=O)(=O)CCOC(C)C)C1 ZINC000093667724 193287156 /nfs/dbraw/zinc/28/71/56/193287156.db2.gz YJDWVJSYIJTTDJ-AWEZNQCLSA-N 1 0 306.472 1.453 10 0 DDAERO CS(=O)(=O)c1ccc(S[C@H]2CC[C@]([NH3+])(CO)C2)cc1 ZINC000093860116 193319501 /nfs/dbraw/zinc/31/95/01/193319501.db2.gz RXGQGFJFLVIMKR-WCQYABFASA-N 1 0 301.433 1.425 10 0 DDAERO CN(C)c1nnc(S[C@H]2CC[C@@](CO)([NH2+]C3CC3)C2)s1 ZINC000093859812 193319881 /nfs/dbraw/zinc/31/98/81/193319881.db2.gz LKTHTALMYGXNMN-GXFFZTMASA-N 1 0 314.480 1.732 10 0 DDAERO CCc1nn2c(nc(CN(C)CC(C)(C)C[NH3+])cc2=O)s1 ZINC000093874002 193321919 /nfs/dbraw/zinc/32/19/19/193321919.db2.gz BRTFLFVYBBHVNN-UHFFFAOYSA-N 1 0 309.439 1.130 10 0 DDAERO CCCNS(=O)(=O)c1ccc(N(C)CC(C)(C)C[NH3+])cc1 ZINC000093874706 193322312 /nfs/dbraw/zinc/32/23/12/193322312.db2.gz XZQJGDPBGRVQPF-UHFFFAOYSA-N 1 0 313.467 1.796 10 0 DDAERO CCCN(CC1CC[NH2+]CC1)S(=O)(=O)c1c[nH]c(CC)n1 ZINC000094024004 193339029 /nfs/dbraw/zinc/33/90/29/193339029.db2.gz SIBIWNZEYLUATF-UHFFFAOYSA-N 1 0 314.455 1.372 10 0 DDAERO CCc1ccc(S(=O)(=O)N(C)CC2CC[NH2+]CC2)s1 ZINC000094023689 193339153 /nfs/dbraw/zinc/33/91/53/193339153.db2.gz VHUCTQUVFVWBPK-UHFFFAOYSA-N 1 0 302.465 1.931 10 0 DDAERO COc1cccc([C@@H]([C@@H](C)[NH3+])N(C)CCS(C)(=O)=O)c1 ZINC000094297291 193356847 /nfs/dbraw/zinc/35/68/47/193356847.db2.gz IZPKNTZMIHUNMG-BXUZGUMPSA-N 1 0 300.424 1.060 10 0 DDAERO CCC[NH2+][C@H]1[C@H](N2CCN(S(C)(=O)=O)CC2)CCC1(C)C ZINC000094305801 193358328 /nfs/dbraw/zinc/35/83/28/193358328.db2.gz YMWRRMBZVNXZLE-KGLIPLIRSA-N 1 0 317.499 1.120 10 0 DDAERO C[NH2+][C@H](C)c1cccc(NC(=O)N(C)CCS(C)(=O)=O)c1 ZINC000094302543 193358584 /nfs/dbraw/zinc/35/85/84/193358584.db2.gz PFCHUOMCWWJBLG-LLVKDONJSA-N 1 0 313.423 1.475 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(C)cc(N)c1C ZINC000094358094 193364012 /nfs/dbraw/zinc/36/40/12/193364012.db2.gz WKYPPVBRPBEDSG-CYBMUJFWSA-N 1 0 311.451 1.648 10 0 DDAERO Cc1cc(N)c(C)c(S(=O)(=O)N(C)[C@H]2CCC[N@H+](C)C2)c1 ZINC000094358680 193364698 /nfs/dbraw/zinc/36/46/98/193364698.db2.gz HDXQOCDIZFSZDO-ZDUSSCGKSA-N 1 0 311.451 1.600 10 0 DDAERO CCN(CC1CC[NH2+]CC1)c1ccccc1S(=O)(=O)NC ZINC000094043533 193340996 /nfs/dbraw/zinc/34/09/96/193340996.db2.gz ZPUJPAZICXLSOZ-UHFFFAOYSA-N 1 0 311.451 1.421 10 0 DDAERO Cc1cc(NC(=O)[C@@H]2COC[C@H]2[NH3+])ncc1Br ZINC000094063571 193342654 /nfs/dbraw/zinc/34/26/54/193342654.db2.gz GQMWQGYHWURGEQ-VXNVDRBHSA-N 1 0 300.156 1.065 10 0 DDAERO COC[C@H]([NH3+])Cc1nc(-c2ncc(Cl)cc2Cl)no1 ZINC000094203520 193348690 /nfs/dbraw/zinc/34/86/90/193348690.db2.gz UHCKPSHVJBHPCV-SSDOTTSWSA-N 1 0 303.149 1.955 10 0 DDAERO Cc1c(F)cc(N)cc1S(=O)(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000094360278 193365292 /nfs/dbraw/zinc/36/52/92/193365292.db2.gz NUZWJPMUOOHOKR-CYBMUJFWSA-N 1 0 317.430 1.581 10 0 DDAERO CC[NH2+]Cc1ccc(O[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cn1 ZINC000094634584 193385883 /nfs/dbraw/zinc/38/58/83/193385883.db2.gz GXLZVQFNYUGIRK-UKRRQHHQSA-N 1 0 312.435 1.926 10 0 DDAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094635585 193386198 /nfs/dbraw/zinc/38/61/98/193386198.db2.gz MQHLOQXMXYHGIF-ZNMIVQPWSA-N 1 0 304.500 1.908 10 0 DDAERO CCC[NH+]1CCC(O)([C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094639141 193388077 /nfs/dbraw/zinc/38/80/77/193388077.db2.gz TWJQOAIYSGEQHK-ZIAGYGMSSA-N 1 0 303.468 1.827 10 0 DDAERO CCC[NH2+]C[C@H](Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000094688037 193391977 /nfs/dbraw/zinc/39/19/77/193391977.db2.gz PIVYUPPSNCTFRP-CABCVRRESA-N 1 0 311.447 1.985 10 0 DDAERO COCCN(C)CC[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000094372294 193367058 /nfs/dbraw/zinc/36/70/58/193367058.db2.gz GSCYWJHIGRWSIE-CQSZACIVSA-N 1 0 302.484 1.599 10 0 DDAERO CCC[NH2+][C@@H](C(OC)OC)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094407954 193367609 /nfs/dbraw/zinc/36/76/09/193367609.db2.gz SQGWHELVGGKXAQ-ZIAGYGMSSA-N 1 0 301.427 1.949 10 0 DDAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1nc(Cl)nc(N(C)C)n1 ZINC000094442771 193369647 /nfs/dbraw/zinc/36/96/47/193369647.db2.gz PBVLLRCRVJDORV-WDEREUQCSA-N 1 0 310.833 1.654 10 0 DDAERO CC(C)Oc1nc(Cl)nc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000094442707 193370333 /nfs/dbraw/zinc/37/03/33/193370333.db2.gz NTCVEPDWHJDOBN-LLVKDONJSA-N 1 0 311.817 1.987 10 0 DDAERO [NH3+][C@H](Cc1cccc(Br)c1)[C@@H]1CN2CCN1CC2 ZINC000094508189 193375449 /nfs/dbraw/zinc/37/54/49/193375449.db2.gz GBGNROHECRVNHT-KGLIPLIRSA-N 1 0 310.239 1.319 10 0 DDAERO [NH3+][C@@H](Cc1cccc(Br)c1)[C@@H]1CN2CCN1CC2 ZINC000094508188 193375564 /nfs/dbraw/zinc/37/55/64/193375564.db2.gz GBGNROHECRVNHT-KBPBESRZSA-N 1 0 310.239 1.319 10 0 DDAERO [NH3+]Cc1ccc([C@H](O)CS(=O)(=O)c2cccc(F)c2)cc1 ZINC000094627297 193385123 /nfs/dbraw/zinc/38/51/23/193385123.db2.gz ZDTUUWZMAGSOOE-OAHLLOKOSA-N 1 0 309.362 1.792 10 0 DDAERO Cc1cc(F)c(N)cc1S(=O)(=O)NC[C@H]1CCCC[N@H+]1C ZINC000094779560 193397462 /nfs/dbraw/zinc/39/74/62/193397462.db2.gz ITPBSMNAXPKSTB-LLVKDONJSA-N 1 0 315.414 1.479 10 0 DDAERO O=S(=O)(c1cccc(Br)n1)[C@@H]1CCC[NH2+]C1 ZINC000095092370 193423129 /nfs/dbraw/zinc/42/31/29/193423129.db2.gz CNVLCIXJDXHWRO-MRVPVSSYSA-N 1 0 305.197 1.370 10 0 DDAERO CCC[C@H](C(=O)Nc1ccc(CC(=O)N(C)C)cc1)[NH+](C)C ZINC000161623714 197508431 /nfs/dbraw/zinc/50/84/31/197508431.db2.gz FTAXUFZKPADWHC-OAHLLOKOSA-N 1 0 305.422 1.986 10 0 DDAERO COc1ccccc1Cc1cc(=O)[nH]c(N[C@H](C)C[NH+](C)C)n1 ZINC000019455951 182123795 /nfs/dbraw/zinc/12/37/95/182123795.db2.gz FSBXYNVXJGAROW-GFCCVEGCSA-N 1 0 316.405 1.731 10 0 DDAERO COc1cc(NC(=O)CSCC[NH3+])c(OC)cc1Cl ZINC000019687370 182136840 /nfs/dbraw/zinc/13/68/40/182136840.db2.gz UFGQKYAWYBTHKA-UHFFFAOYSA-N 1 0 304.799 1.988 10 0 DDAERO NC(=[NH2+])c1cccc(CN2CCN(c3nccs3)CC2)c1 ZINC000021805717 182291060 /nfs/dbraw/zinc/29/10/60/182291060.db2.gz DUQQURZCHHZHED-UHFFFAOYSA-N 1 0 301.419 1.749 10 0 DDAERO [NH3+]CCCN(Cc1cccnc1)S(=O)(=O)c1ccccc1 ZINC000021809791 182291829 /nfs/dbraw/zinc/29/18/29/182291829.db2.gz AUACBRWYBPSQPK-UHFFFAOYSA-N 1 0 305.403 1.621 10 0 DDAERO C[C@@H]1CN(C(=O)c2ccncc2)C[C@H](C)N1CCC[NH+](C)C ZINC000036125119 182804089 /nfs/dbraw/zinc/80/40/89/182804089.db2.gz BCRXZHMSWGAORM-GASCZTMLSA-N 1 0 304.438 1.568 10 0 DDAERO COc1cc(C[NH3+])cc(Br)c1OCCC(N)=O ZINC000036814873 182844542 /nfs/dbraw/zinc/84/45/42/182844542.db2.gz CXXXGNBLCPSSJO-UHFFFAOYSA-N 1 0 303.156 1.171 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000106770319 248248499 /nfs/dbraw/zinc/24/84/99/248248499.db2.gz QLDPGKISBQLFKA-ZDUSSCGKSA-N 1 0 316.405 1.341 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000106770316 248250458 /nfs/dbraw/zinc/25/04/58/248250458.db2.gz QLDPGKISBQLFKA-CYBMUJFWSA-N 1 0 316.405 1.341 10 0 DDAERO CSCC[C@H]([NH3+])C(=O)NCc1ccc(OCC2CC2)nc1 ZINC000157264667 248308761 /nfs/dbraw/zinc/30/87/61/248308761.db2.gz CEYVZIPTPDLEIZ-ZDUSSCGKSA-N 1 0 309.435 1.567 10 0 DDAERO CCC[C@H](C(=O)NCCc1cccc(C(=O)N(C)C)c1)[NH+](C)C ZINC000162277568 248317725 /nfs/dbraw/zinc/31/77/25/248317725.db2.gz NMORDJYYMJYKFR-MRXNPFEDSA-N 1 0 319.449 1.777 10 0 DDAERO CCOC1CC[NH+](C[C@H](O)c2ccc(C(N)=S)cc2)CC1 ZINC000040689472 183117955 /nfs/dbraw/zinc/11/79/55/183117955.db2.gz FOKGIGASTJZNBK-HNNXBMFYSA-N 1 0 308.447 1.855 10 0 DDAERO CS(=O)(=O)c1ccc(NCC[NH+]2CCCCCC2)c(N)c1 ZINC000040767635 183131809 /nfs/dbraw/zinc/13/18/09/183131809.db2.gz VBFFVDOHIHWOOJ-UHFFFAOYSA-N 1 0 311.451 1.960 10 0 DDAERO O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)N1CCOCC1 ZINC000333854013 249127996 /nfs/dbraw/zinc/12/79/96/249127996.db2.gz ODCIYGHDCFALLB-CABCVRRESA-N 1 0 307.369 1.313 10 0 DDAERO C[C@H](NS(=O)(=O)N1CC[NH2+]CC1)c1ccccc1Cl ZINC000040862011 183144067 /nfs/dbraw/zinc/14/40/67/183144067.db2.gz VSCVQEPJJJVLLO-JTQLQIEISA-N 1 0 303.815 1.141 10 0 DDAERO Cc1cccnc1Nc1nc[nH+]c(NN2CCN(C)CC2)c1N ZINC000040756834 183129920 /nfs/dbraw/zinc/12/99/20/183129920.db2.gz BBTBGTPQLXLCAJ-UHFFFAOYSA-N 1 0 314.397 1.080 10 0 DDAERO C[NH+](C)CCNC(=O)[C@@H]1CCC(=O)N1c1ccc(Cl)cc1 ZINC000041459680 183192551 /nfs/dbraw/zinc/19/25/51/183192551.db2.gz XUULAQPNBSSJDR-ZDUSSCGKSA-N 1 0 309.797 1.513 10 0 DDAERO C[NH2+][C@@H](C)c1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000041710121 183218610 /nfs/dbraw/zinc/21/86/10/183218610.db2.gz HHSIKWLLZKOYCQ-GXFFZTMASA-N 1 0 311.407 1.276 10 0 DDAERO [NH3+]C[C@@H](c1cccc(Br)c1)N1CCS(=O)CC1 ZINC000042326007 183253857 /nfs/dbraw/zinc/25/38/57/183253857.db2.gz OXGNQDXNCLCVMS-LBPRGKRZSA-N 1 0 317.252 1.513 10 0 DDAERO C[NH2+]Cc1cccc(Br)c1OC[C@H](C)C(N)=O ZINC000042411526 183265452 /nfs/dbraw/zinc/26/54/52/183265452.db2.gz JKSZYHGZQZRBRU-QMMMGPOBSA-N 1 0 301.184 1.669 10 0 DDAERO CNC(=O)[C@H](C)Oc1c(Br)cccc1C[C@@H](C)[NH3+] ZINC000042412831 183266752 /nfs/dbraw/zinc/26/67/52/183266752.db2.gz VNAIQADDDPVHBD-BDAKNGLRSA-N 1 0 315.211 1.852 10 0 DDAERO NC(=O)CC1CC[NH+](Cc2ccc(C(N)=S)cc2F)CC1 ZINC000042428966 183269664 /nfs/dbraw/zinc/26/96/64/183269664.db2.gz ZWENGZYVCBBOQC-UHFFFAOYSA-N 1 0 309.410 1.547 10 0 DDAERO CCCNS(=O)(=O)c1ccccc1N(CC)C[C@H](C)C[NH3+] ZINC000042442386 183271025 /nfs/dbraw/zinc/27/10/25/183271025.db2.gz NVVYBPSRSOUBCH-CYBMUJFWSA-N 1 0 313.467 1.796 10 0 DDAERO COc1cccc([C@H]([C@@H](C)[NH3+])N(C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000043027211 183331368 /nfs/dbraw/zinc/33/13/68/183331368.db2.gz CNXWLWOEQOIDQG-KYOSRNDESA-N 1 0 312.435 1.202 10 0 DDAERO CCN(CC(F)(F)F)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000042781288 183308583 /nfs/dbraw/zinc/30/85/83/183308583.db2.gz BEWCSYMJMCBKJD-JTQLQIEISA-N 1 0 302.362 1.733 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(CC)[C@H](C)COC)cc1 ZINC000042782378 183309177 /nfs/dbraw/zinc/30/91/77/183309177.db2.gz KHOQYMMMONPARP-CYBMUJFWSA-N 1 0 314.451 1.842 10 0 DDAERO CC[C@H]([NH3+])[C@@H](c1ccc(Br)s1)N(C)CC(N)=O ZINC000043259810 183348916 /nfs/dbraw/zinc/34/89/16/183348916.db2.gz FNHNVNXAZKZLJR-CPCISQLKSA-N 1 0 320.256 1.706 10 0 DDAERO COc1cc(OC)c([C@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)c(OC)c1 ZINC000043300085 183352448 /nfs/dbraw/zinc/35/24/48/183352448.db2.gz NJYNOZFTRVHQNS-YMTOWFKASA-N 1 0 315.391 1.147 10 0 DDAERO COC(=O)CCC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000043327029 183355399 /nfs/dbraw/zinc/35/53/99/183355399.db2.gz VZQMSNNVCRRTFI-LBPRGKRZSA-N 1 0 300.399 1.929 10 0 DDAERO C[C@@H]([NH3+])[C@H](Oc1cccc(S(C)(=O)=O)c1)c1ccncc1 ZINC000043356237 183356375 /nfs/dbraw/zinc/35/63/75/183356375.db2.gz RLTXVGCCTUGIEF-ABAIWWIYSA-N 1 0 306.387 1.952 10 0 DDAERO CS(=O)(=O)N1CCC([NH2+]Cc2ccc(O)c(Cl)c2)CC1 ZINC000043477675 183365850 /nfs/dbraw/zinc/36/58/50/183365850.db2.gz MWDRPWOOQGXQTB-UHFFFAOYSA-N 1 0 318.826 1.559 10 0 DDAERO C[C@@H](C(=O)Nc1nc2c(s1)C[NH2+]CC2)N1[C@@H](C)CC[C@@H]1C ZINC000043559812 183371109 /nfs/dbraw/zinc/37/11/09/183371109.db2.gz YMYOCFWPWBUJLM-DCAQKATOSA-N 1 0 308.451 1.989 10 0 DDAERO CC(C)C[N@H+](CCN(C)C)[C@@H]1CC2(CC[C@@H]1O)OCCO2 ZINC000044164536 183397169 /nfs/dbraw/zinc/39/71/69/183397169.db2.gz BNMGDLFRXQANPO-CABCVRRESA-N 1 0 300.443 1.163 10 0 DDAERO CCC[NH2+]CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000044288182 183403019 /nfs/dbraw/zinc/40/30/19/183403019.db2.gz FXRDADFRZBXMSE-UHFFFAOYSA-N 1 0 313.423 1.183 10 0 DDAERO CC(C)[NH2+][C@@](C)(CO)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000044494055 183414871 /nfs/dbraw/zinc/41/48/71/183414871.db2.gz WUWBFYQDRXBKSC-AWEZNQCLSA-N 1 0 300.424 1.142 10 0 DDAERO CC(C)[NH2+][C@](C)(CCCCOC[C@H]1CCCCO1)C(N)=O ZINC000045502771 183512636 /nfs/dbraw/zinc/51/26/36/183512636.db2.gz FAVNZKRLUTZNJD-GDBMZVCRSA-N 1 0 300.443 1.984 10 0 DDAERO Cc1cc(C)c(CNC(=O)NC[C@@H]2CN(C)CCO2)c(C)c1 ZINC000104793071 194039685 /nfs/dbraw/zinc/03/96/85/194039685.db2.gz JXJQMSDNUATEJB-OAHLLOKOSA-N 1 0 305.422 1.742 10 0 DDAERO COCCN(CC[NH+](C)C)C(=O)N[C@@H]1COc2ccccc21 ZINC000105205549 194084968 /nfs/dbraw/zinc/08/49/68/194084968.db2.gz GWDQPZRFMKVUOD-CQSZACIVSA-N 1 0 307.394 1.340 10 0 DDAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)Nc1cccc2ncccc21 ZINC000105235797 194087562 /nfs/dbraw/zinc/08/75/62/194087562.db2.gz WYVBFERAMSXTEO-LBPRGKRZSA-N 1 0 305.403 1.976 10 0 DDAERO CC(C)CN(C(=O)CN1CC[N@H+](C[C@@H](C)O)[C@H](C)C1)C1CC1 ZINC000105824206 194136977 /nfs/dbraw/zinc/13/69/77/194136977.db2.gz DRSSDONISILACB-HUUCEWRRSA-N 1 0 311.470 1.020 10 0 DDAERO CCOC(=O)[C@@H](C)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863583 194149941 /nfs/dbraw/zinc/14/99/41/194149941.db2.gz WEKHCODDDPFMKJ-CQSZACIVSA-N 1 0 308.426 1.231 10 0 DDAERO Cc1nn(C)c(C)c1CN1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000105865664 194149986 /nfs/dbraw/zinc/14/99/86/194149986.db2.gz DDBLOTNHVOEJHD-MRXNPFEDSA-N 1 0 306.454 1.724 10 0 DDAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)NCCc2ccccc2C)c1 ZINC000105881683 194155424 /nfs/dbraw/zinc/15/54/24/194155424.db2.gz OOGIAFCMQUEXRE-INIZCTEOSA-N 1 0 314.433 1.837 10 0 DDAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)N(C)Cc2ccccc2)c1 ZINC000105881201 194155804 /nfs/dbraw/zinc/15/58/04/194155804.db2.gz PXBJDFLLPRIOPW-OAHLLOKOSA-N 1 0 300.406 1.828 10 0 DDAERO COC(=O)c1coc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000105884573 194157836 /nfs/dbraw/zinc/15/78/36/194157836.db2.gz RPVYOOWNNVJHSW-GFCCVEGCSA-N 1 0 304.350 1.570 10 0 DDAERO COC(=O)[C@H](C)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105915369 194167997 /nfs/dbraw/zinc/16/79/97/194167997.db2.gz XQMSLHGUCWYOAZ-WMLDXEAASA-N 1 0 320.433 1.583 10 0 DDAERO Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105924780 194170312 /nfs/dbraw/zinc/17/03/12/194170312.db2.gz NAFMVXOAPGLROX-HZPDHXFCSA-N 1 0 319.449 1.893 10 0 DDAERO CN(Cc1ccccc1F)C(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000105927766 194173393 /nfs/dbraw/zinc/17/33/93/194173393.db2.gz LMJORBTUPRMCFP-OAHLLOKOSA-N 1 0 323.412 1.047 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CO)cc1 ZINC000048858578 183692214 /nfs/dbraw/zinc/69/22/14/183692214.db2.gz BQSVHEYEGUSOQY-AWEZNQCLSA-N 1 0 312.435 1.332 10 0 DDAERO CCN(CCOC)S(=O)(=O)c1ccc(C[NH2+]C(C)C)cc1 ZINC000049015699 183702548 /nfs/dbraw/zinc/70/25/48/183702548.db2.gz MDZFXFXUPWUOAB-UHFFFAOYSA-N 1 0 314.451 1.842 10 0 DDAERO NC(=O)CCC[NH2+]CCOc1cccc(Br)c1 ZINC000049596028 183745058 /nfs/dbraw/zinc/74/50/58/183745058.db2.gz OLRLEIMSAVRCJH-UHFFFAOYSA-N 1 0 301.184 1.683 10 0 DDAERO Cc1csc(CNS(=O)(=O)CC[C@@H]2CCCC[NH2+]2)n1 ZINC000049646322 183751510 /nfs/dbraw/zinc/75/15/10/183751510.db2.gz HOUKDOHYCODZJE-NSHDSACASA-N 1 0 303.453 1.403 10 0 DDAERO CC(C)(C(N)=S)[NH+]1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000109465494 194266270 /nfs/dbraw/zinc/26/62/70/194266270.db2.gz KDTRJTVAEGXPMJ-UHFFFAOYSA-N 1 0 307.419 1.215 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN([C@@H](C)C(=O)OCC)CC1 ZINC000109470018 194267536 /nfs/dbraw/zinc/26/75/36/194267536.db2.gz INVSEMPXKNATGS-NWDGAFQWSA-N 1 0 301.456 1.010 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN(CCc2ccncc2)CC1 ZINC000109470166 194267597 /nfs/dbraw/zinc/26/75/97/194267597.db2.gz ITWMSWCYMROXOX-OAHLLOKOSA-N 1 0 306.479 1.697 10 0 DDAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N(C)C[C@@H](C)O)cc1 ZINC000051840237 183838754 /nfs/dbraw/zinc/83/87/54/183838754.db2.gz RVTXFMSPGPHGHV-GFCCVEGCSA-N 1 0 300.424 1.188 10 0 DDAERO O=S1(=O)CC[C@H]([C@H](C[NH2+]C2CC2)Cc2cscn2)C1 ZINC000052951854 183881887 /nfs/dbraw/zinc/88/18/87/183881887.db2.gz NJUGJIGZPCEZNE-QWRGUYRKSA-N 1 0 300.449 1.489 10 0 DDAERO CCOc1cccc(N2CC[NH+](C(C)(C)C(N)=S)CC2)n1 ZINC000110542016 194338034 /nfs/dbraw/zinc/33/80/34/194338034.db2.gz WUXGLNURUOUVBK-UHFFFAOYSA-N 1 0 308.451 1.667 10 0 DDAERO C[NH2+][C@@H](CCN(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1F ZINC000053980505 183919010 /nfs/dbraw/zinc/91/90/10/183919010.db2.gz BVAVZDRUJBRVBE-DOMZBBRYSA-N 1 0 314.426 1.595 10 0 DDAERO COCC[NH2+][C@@]1(CN)CCc2cc(Br)ccc2C1 ZINC000110829492 194361708 /nfs/dbraw/zinc/36/17/08/194361708.db2.gz KELORWHQNYVTHP-AWEZNQCLSA-N 1 0 313.239 1.871 10 0 DDAERO Cc1ccc(F)c(C(=O)NC2CC[NH+](CC(N)=S)CC2)c1 ZINC000110826026 194361719 /nfs/dbraw/zinc/36/17/19/194361719.db2.gz BJNMIHYIWPHCMQ-UHFFFAOYSA-N 1 0 309.410 1.614 10 0 DDAERO NC(=S)C[NH+]1CCC(NC(=O)c2cc(F)cc(F)c2)CC1 ZINC000110825955 194362181 /nfs/dbraw/zinc/36/21/81/194362181.db2.gz VKIWWSQLBAKMFR-UHFFFAOYSA-N 1 0 313.373 1.445 10 0 DDAERO COCC[NH2+][C@]1(CN)CCc2cc(Br)ccc2C1 ZINC000110829490 194362372 /nfs/dbraw/zinc/36/23/72/194362372.db2.gz KELORWHQNYVTHP-CQSZACIVSA-N 1 0 313.239 1.871 10 0 DDAERO C[C@@]1([NH2+]Cc2[nH]nnc2-c2ccccc2)CCS(=O)(=O)C1 ZINC000110924730 194369954 /nfs/dbraw/zinc/36/99/54/194369954.db2.gz OHDFFEQHHHEXKV-CQSZACIVSA-N 1 0 306.391 1.139 10 0 DDAERO COc1cccc([C@@H](SCCS(C)(=O)=O)[C@H](C)[NH3+])c1 ZINC000111004171 194380903 /nfs/dbraw/zinc/38/09/03/194380903.db2.gz RTMNXZGVGFHIBA-GWCFXTLKSA-N 1 0 303.449 1.861 10 0 DDAERO COc1cccc([C@@H](SCCS(C)(=O)=O)[C@@H](C)[NH3+])c1 ZINC000111004174 194381232 /nfs/dbraw/zinc/38/12/32/194381232.db2.gz RTMNXZGVGFHIBA-MFKMUULPSA-N 1 0 303.449 1.861 10 0 DDAERO [NH3+][C@H](Cc1csc(N2CCS(=O)CC2)n1)c1ccccc1 ZINC000054897166 183953831 /nfs/dbraw/zinc/95/38/31/183953831.db2.gz PVXPZBSNAHGLQQ-CQSZACIVSA-N 1 0 321.471 1.954 10 0 DDAERO CN(CCC[NH+](C)C)S(=O)(=O)c1cc(N)c(F)cc1Cl ZINC000111131010 194393240 /nfs/dbraw/zinc/39/32/40/194393240.db2.gz SNDGLAWSTVKGEF-UHFFFAOYSA-N 1 0 323.821 1.634 10 0 DDAERO CCC[NH2+]C[C@@](C)(O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000055033009 183959064 /nfs/dbraw/zinc/95/90/64/183959064.db2.gz KEWRCWMYRARPCO-CQSZACIVSA-N 1 0 300.424 1.144 10 0 DDAERO CCCN[C@](C)(CCN(C)CCC[NH+](C)C)C(=O)OCC ZINC000111145352 194395971 /nfs/dbraw/zinc/39/59/71/194395971.db2.gz IXJWTECBZJHDRN-MRXNPFEDSA-N 1 0 301.475 1.581 10 0 DDAERO CCN(C(=O)OC(C)(C)C)[C@H](C)CC(=O)N1CCC([NH3+])CC1 ZINC000058040897 184070253 /nfs/dbraw/zinc/07/02/53/184070253.db2.gz YJGGJECFJJZGNN-GFCCVEGCSA-N 1 0 313.442 1.972 10 0 DDAERO CC[NH+](CC)CCCNC(=O)C(=O)N1c2ccccc2C[C@@H]1C ZINC000059768165 184140916 /nfs/dbraw/zinc/14/09/16/184140916.db2.gz IWCQQNYATMMBLV-AWEZNQCLSA-N 1 0 317.433 1.812 10 0 DDAERO O=S(=O)(C[C@H]1CCCC[NH2+]1)Nc1cc(F)cc(F)c1F ZINC000061120927 184162623 /nfs/dbraw/zinc/16/26/23/184162623.db2.gz RMVLTTZPPXNJAI-SECBINFHSA-N 1 0 308.325 1.988 10 0 DDAERO CNc1ccc(Cl)c(C(=O)NCC[N@H+](C)CCOC)n1 ZINC000061401187 184170104 /nfs/dbraw/zinc/17/01/04/184170104.db2.gz UXCMEWWJVPQCKM-UHFFFAOYSA-N 1 0 300.790 1.085 10 0 DDAERO C[NH+]1CCC(CNc2nc(Cl)nc(N3CCCC3)n2)CC1 ZINC000061540786 184173409 /nfs/dbraw/zinc/17/34/09/184173409.db2.gz DAZAHZGYCDWEEJ-UHFFFAOYSA-N 1 0 310.833 1.879 10 0 DDAERO CN(c1nc(Cl)nc(-n2ccnc2)n1)[C@H]1CCC[N@H+](C)C1 ZINC000061542602 184174280 /nfs/dbraw/zinc/17/42/80/184174280.db2.gz VRRSXGKJBYWLGX-JTQLQIEISA-N 1 0 307.789 1.241 10 0 DDAERO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1ccc(N)cc1Cl ZINC000061642469 184180356 /nfs/dbraw/zinc/18/03/56/184180356.db2.gz MHZABOVYDKXOAI-LLVKDONJSA-N 1 0 317.842 1.637 10 0 DDAERO CN(C1=NS(=O)(=O)c2ccccc21)c1ccc(C[NH3+])cc1 ZINC000061950807 184198474 /nfs/dbraw/zinc/19/84/74/184198474.db2.gz HOPOFYBVHNFFTN-UHFFFAOYSA-N 1 0 301.371 1.731 10 0 DDAERO C[N@@H+]1CC[C@H](Nc2cc(NS(C)(=O)=O)ccc2Cl)C1 ZINC000061985878 184199546 /nfs/dbraw/zinc/19/95/46/184199546.db2.gz AVEBYWKDTCHHKU-JTQLQIEISA-N 1 0 303.815 1.828 10 0 DDAERO CN(Cc1cc(Br)cs1)[C@]1(C[NH3+])CCN(C)C1 ZINC000061990596 184200008 /nfs/dbraw/zinc/20/00/08/184200008.db2.gz JDCKBSJNKLEKIH-LBPRGKRZSA-N 1 0 318.284 1.975 10 0 DDAERO CC[C@@H]([NH3+])[C@H](c1cccs1)N1CCN(S(C)(=O)=O)CC1 ZINC000062081948 184205157 /nfs/dbraw/zinc/20/51/57/184205157.db2.gz WVMFBNDCVFLBLP-DGCLKSJQSA-N 1 0 317.480 1.104 10 0 DDAERO C[NH2+][C@@H]1CC(C)(C)Cc2nc(N3CCNC(=O)CC3)sc21 ZINC000062101900 184206108 /nfs/dbraw/zinc/20/61/08/184206108.db2.gz UTMDLVMNLUEZHK-SNVBAGLBSA-N 1 0 308.451 1.702 10 0 DDAERO C[NH+](C)C(C)(C)CNC(=O)c1cc2ccc(F)cc2[nH]c1=O ZINC000062364749 184233103 /nfs/dbraw/zinc/23/31/03/184233103.db2.gz LONQFDQGJHBKOZ-UHFFFAOYSA-N 1 0 305.353 1.737 10 0 DDAERO CC[C@@H]([NH3+])Cc1ccc(OCC(=O)NC)c(Br)c1 ZINC000062705380 184248940 /nfs/dbraw/zinc/24/89/40/184248940.db2.gz ZXGTXYNZCGPJSP-SNVBAGLBSA-N 1 0 315.211 1.854 10 0 DDAERO COCC[NH2+]Cc1cc(C)c(OCCS(C)(=O)=O)c(C)c1 ZINC000062728624 184250653 /nfs/dbraw/zinc/25/06/53/184250653.db2.gz HENSXSBMDDBVIS-UHFFFAOYSA-N 1 0 315.435 1.463 10 0 DDAERO CC(C)(C)[NH2+]Cc1cccc(O[C@@H]2CS(=O)(=O)C[C@H]2O)c1 ZINC000062731324 184251073 /nfs/dbraw/zinc/25/10/73/184251073.db2.gz XLWRJULMFRMCPQ-ZIAGYGMSSA-N 1 0 313.419 1.111 10 0 DDAERO CNC(=O)[C@H](C)Oc1ccc(Cl)cc1C[NH2+]CCOC ZINC000062731021 184251582 /nfs/dbraw/zinc/25/15/82/184251582.db2.gz NIDKWYQUQFROAZ-JTQLQIEISA-N 1 0 300.786 1.589 10 0 DDAERO CCC1(CC)CCN(S(=O)(=O)c2cc[nH+]c(NN)c2)CC1 ZINC000062960035 184262545 /nfs/dbraw/zinc/26/25/45/184262545.db2.gz CWHHPRNVCGJECD-UHFFFAOYSA-N 1 0 312.439 1.958 10 0 DDAERO C[C@H]1CN(C(=O)N2CCOCC2)CC[N@@H+]1CCc1ccccc1 ZINC000062691181 184247539 /nfs/dbraw/zinc/24/75/39/184247539.db2.gz MUHMQLKWIDHWIL-INIZCTEOSA-N 1 0 317.433 1.687 10 0 DDAERO Nc1cccc(F)c1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062975723 184264028 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FLGLPDVRBMAXPB-WMZOPIPTSA-N 1 0 315.417 1.731 10 0 DDAERO O=C(Nc1cccnc1)[C@@H]1COC[C@@H]2C[N@@H+](C3CCC3)C[C@@H]21 ZINC000247466557 257119559 /nfs/dbraw/zinc/11/95/59/257119559.db2.gz CTFIBYFAGRNTEC-VBNZEHGJSA-N 1 0 301.390 1.767 10 0 DDAERO O=C(N1CCOCC1)[C@]12CCO[C@H]1CC[N@@H+](C1CCCC1)C2 ZINC000247727793 257119755 /nfs/dbraw/zinc/11/97/55/257119755.db2.gz FMNLVZLMPDBKBM-RDJZCZTQSA-N 1 0 308.422 1.269 10 0 DDAERO CC[C@@H]1CCCC[C@H]1OC[C@@H](O)C[NH2+]CCCS(C)(=O)=O ZINC000216517330 257132677 /nfs/dbraw/zinc/13/26/77/257132677.db2.gz JQBXFGUZYLZPRF-QLFBSQMISA-N 1 0 321.483 1.357 10 0 DDAERO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CCOC2)N1Cc1cccnc1 ZINC000253616519 257104884 /nfs/dbraw/zinc/10/48/84/257104884.db2.gz MGZFLRBSSQVRQR-ARFHVFGLSA-N 1 0 301.390 1.436 10 0 DDAERO C[C@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[C@H](C)O1 ZINC000068367904 134840918 /nfs/dbraw/zinc/84/09/18/134840918.db2.gz YMNJUGXOBQXXAR-KBPBESRZSA-N 1 0 318.421 1.083 10 0 DDAERO 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IZSKHSIZTDHSNU-UHFFFAOYSA-N 1 0 318.402 1.329 10 0 DDAERO CCO[C@H](CCNC(=O)[C@H]([NH3+])C1CCOCC1)C1CCCC1 ZINC000261835234 407633971 /nfs/dbraw/zinc/63/39/71/407633971.db2.gz IKOCPAOPEVIMFA-HZPDHXFCSA-N 1 0 312.454 1.842 10 0 DDAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC000227658598 407636445 /nfs/dbraw/zinc/63/64/45/407636445.db2.gz XBRKPBXGHAEBIT-STQMWFEESA-N 1 0 311.426 1.502 10 0 DDAERO COc1cccc(F)c1[C@H](C)NC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261851901 407641574 /nfs/dbraw/zinc/64/15/74/407641574.db2.gz RPNQORURSZFWRP-ZUZCIYMTSA-N 1 0 310.369 1.765 10 0 DDAERO CCc1nc2n(n1)C[C@@H](NC(=O)NCC[N@@H+](C)[C@@H](C)CC)CC2 ZINC000114955055 407646790 /nfs/dbraw/zinc/64/67/90/407646790.db2.gz QULMMPZGNUSTKV-STQMWFEESA-N 1 0 322.457 1.185 10 0 DDAERO CC(C)(C)c1csc(CCNC(=O)C2([NH3+])CCOCC2)n1 ZINC000261892396 407658160 /nfs/dbraw/zinc/65/81/60/407658160.db2.gz QRKFGALWFRVRPR-UHFFFAOYSA-N 1 0 311.451 1.607 10 0 DDAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]([NH3+])C2CCOCC2)C1 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Cc1[nH]nc(Cl)c1C(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000911418773 710791238 /nfs/dbraw/zinc/79/12/38/710791238.db2.gz SOTNPSYBVNXCPV-AXFHLTTASA-N 1 0 312.801 1.089 10 0 DDAERO Cc1nnc([C@@H]2COCCN2C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)o1 ZINC000907559312 712594786 /nfs/dbraw/zinc/59/47/86/712594786.db2.gz LEEQEHCOGVLTPB-MJBXVCDLSA-N 1 0 320.393 1.295 10 0 DDAERO CC[C@H](CSC)NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000248504909 282088018 /nfs/dbraw/zinc/08/80/18/282088018.db2.gz VSMGPVNJWYHIPH-MGPQQGTHSA-N 1 0 317.499 1.615 10 0 DDAERO CC[C@@H]1CN(C(=O)NCc2nccs2)CC[N@@H+]1C[C@H](C)O ZINC000248457593 282085017 /nfs/dbraw/zinc/08/50/17/282085017.db2.gz PCIHHXACZZATPF-NWDGAFQWSA-N 1 0 312.439 1.130 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(CCCOCc2ccccc2)C[C@@H]1C ZINC000248544441 282089876 /nfs/dbraw/zinc/08/98/76/282089876.db2.gz CXNSLYNABWAQOH-IRXDYDNUSA-N 1 0 306.450 1.980 10 0 DDAERO CCC[NH2+][C@@H]1CCOC[C@@H]1Sc1n[nH]c(=O)n1CCC ZINC000081879282 192332775 /nfs/dbraw/zinc/33/27/75/192332775.db2.gz XVQFBIAKUBXBBG-MNOVXSKESA-N 1 0 300.428 1.231 10 0 DDAERO CC(C)N1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H](C)CS(C)(=O)=O ZINC000081901752 192335741 /nfs/dbraw/zinc/33/57/41/192335741.db2.gz RQBARRPODFTBGL-RDGKXADDSA-N 1 0 302.484 1.518 10 0 DDAERO Cc1ccc(S(=O)(=O)[C@H]2CC3(CC[C@@H]2[NH3+])OCCO3)cc1 ZINC000081920870 192338928 /nfs/dbraw/zinc/33/89/28/192338928.db2.gz FTLCNUMISVFRTN-KBPBESRZSA-N 1 0 311.403 1.392 10 0 DDAERO C[C@@H]1CCC[C@H](NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)[C@H]1C ZINC000248874645 282114083 /nfs/dbraw/zinc/11/40/83/282114083.db2.gz MMUJIIFSVJYPPP-QXSJWSMHSA-N 1 0 311.470 1.957 10 0 DDAERO CC[NH2+][C@@H]1CCOC[C@H]1S(=O)(=O)c1ccccc1Cl ZINC000081920481 192339035 /nfs/dbraw/zinc/33/90/35/192339035.db2.gz HLWQGPOFVKIODE-DGCLKSJQSA-N 1 0 303.811 1.881 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)N2CCCCC2)C12CCOCC2 ZINC000249049049 282129170 /nfs/dbraw/zinc/12/91/70/282129170.db2.gz WMTGJUPMOZAPBE-BZUAXINKSA-N 1 0 324.465 1.951 10 0 DDAERO [NH3+][C@H]1CCCCC[C@@H]1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000081935367 192343189 /nfs/dbraw/zinc/34/31/89/192343189.db2.gz FKXKOTDNFLLTOC-WFASDCNBSA-N 1 0 311.403 1.892 10 0 DDAERO CN(C(=O)CC[C@@H](CC[NH3+])C(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000079290452 185163455 /nfs/dbraw/zinc/16/34/55/185163455.db2.gz WJAGWMSHPMXVNQ-STQMWFEESA-N 1 0 318.483 1.423 10 0 DDAERO C[C@@]1(C(=O)Nc2ccccc2S(=O)(=O)C(F)F)CCC[NH2+]1 ZINC000079515479 185173889 /nfs/dbraw/zinc/17/38/89/185173889.db2.gz XQNQAMJMINXHPY-ZDUSSCGKSA-N 1 0 318.345 1.764 10 0 DDAERO CCC[NH2+][C@@H](CS(=O)(=O)CCOC)c1cccc(OC)c1 ZINC000081944515 192346186 /nfs/dbraw/zinc/34/61/86/192346186.db2.gz RRZZIIRRQOZCDI-HNNXBMFYSA-N 1 0 315.435 1.797 10 0 DDAERO CC1(C)CCCN([C@@]2(C[NH3+])CCC[C@@H]2S(C)(=O)=O)CC1 ZINC000087657020 185229867 /nfs/dbraw/zinc/22/98/67/185229867.db2.gz BGGRPKHYKPEQHI-DZGCQCFKSA-N 1 0 302.484 1.793 10 0 DDAERO CCCc1nsc(N2CC[NH+]([C@H](CC)C(N)=S)CC2)n1 ZINC000087639957 185229878 /nfs/dbraw/zinc/22/98/78/185229878.db2.gz CJGSASCFEQBFHV-SNVBAGLBSA-N 1 0 313.496 1.677 10 0 DDAERO Cc1nnc(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)n1CC[NH3+] ZINC000087715309 185231044 /nfs/dbraw/zinc/23/10/44/185231044.db2.gz JTDMYXGBJFAJBM-QWRGUYRKSA-N 1 0 311.455 1.142 10 0 DDAERO [NH3+]C[C@@H](c1ccc(Br)cc1)N1CCCNC(=O)C1 ZINC000087883380 185234440 /nfs/dbraw/zinc/23/44/40/185234440.db2.gz CLFZESBWXSWPPB-LBPRGKRZSA-N 1 0 312.211 1.271 10 0 DDAERO O=S(=O)(NCc1ccc(C(F)(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000088056769 185238315 /nfs/dbraw/zinc/23/83/15/185238315.db2.gz NQZVHTJUAKDSHO-LLVKDONJSA-N 1 0 308.325 1.487 10 0 DDAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000088084004 185239287 /nfs/dbraw/zinc/23/92/87/185239287.db2.gz PZJKKVZQCSHFAA-LDYMZIIASA-N 1 0 317.158 1.904 10 0 DDAERO C[C@H](c1nnc2ccc(Br)cn21)N1CC[NH2+]CC1 ZINC000087846820 185233124 /nfs/dbraw/zinc/23/31/24/185233124.db2.gz CSIFBIDYKWEPSR-SECBINFHSA-N 1 0 310.199 1.458 10 0 DDAERO C[C@@H](Cn1ccnc1)Nc1nc(NN)[nH+]cc1Br ZINC000087865652 185233750 /nfs/dbraw/zinc/23/37/50/185233750.db2.gz QMHOJTKPZDOGBD-ZETCQYMHSA-N 1 0 312.175 1.222 10 0 DDAERO COc1ccccc1C[C@H](C)N(C)S(=O)(=O)CCCC[NH3+] ZINC000088196220 185241463 /nfs/dbraw/zinc/24/14/63/185241463.db2.gz LWHPMQGMTSTSOW-ZDUSSCGKSA-N 1 0 314.451 1.627 10 0 DDAERO CC(C)COC[C@H]([NH2+]C[C@H](O)CN1CCCC1=O)c1ccco1 ZINC000184203398 539244061 /nfs/dbraw/zinc/24/40/61/539244061.db2.gz VNLCGGCOYCLZGU-GJZGRUSLSA-N 1 0 324.421 1.566 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)NCC1(c2ccccc2)CC1)C(C)C ZINC000183634260 539242644 /nfs/dbraw/zinc/24/26/44/539242644.db2.gz GZFHXPJXILRPIC-MRXNPFEDSA-N 1 0 317.433 1.195 10 0 DDAERO [NH3+]CCc1ccccc1C(=O)Nc1cnc(Br)cn1 ZINC000088446372 185251258 /nfs/dbraw/zinc/25/12/58/185251258.db2.gz YSMMQXVRJHHEOL-UHFFFAOYSA-N 1 0 321.178 1.993 10 0 DDAERO CCOC[C@@H](C)NS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088543042 185256116 /nfs/dbraw/zinc/25/61/16/185256116.db2.gz DAJOVIKOQBVULU-LLVKDONJSA-N 1 0 304.412 1.481 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)o1 ZINC000088543815 185256589 /nfs/dbraw/zinc/25/65/89/185256589.db2.gz QIYZAEHTKDFRRI-WDEREUQCSA-N 1 0 302.396 1.187 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN(Cc2ncnn2C(C)C)CC1 ZINC000088593438 185258839 /nfs/dbraw/zinc/25/88/39/185258839.db2.gz OHCKGZIVZORWBK-GFCCVEGCSA-N 1 0 310.471 1.041 10 0 DDAERO NC(=O)[C@@H]1C[NH2+]CCN1CCOc1c(Cl)cccc1Cl ZINC000088672934 185261988 /nfs/dbraw/zinc/26/19/88/185261988.db2.gz NWCICIKHTULTCZ-NSHDSACASA-N 1 0 318.204 1.131 10 0 DDAERO C[NH2+][C@H](CCC(F)(F)F)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000088833200 185266708 /nfs/dbraw/zinc/26/67/08/185266708.db2.gz ZWFKVAHVZWFPCU-MRVPVSSYSA-N 1 0 301.268 1.819 10 0 DDAERO CNS(=O)(=O)c1ccc(C[NH2+]C[C@](C)(O)CC(C)C)o1 ZINC000090267507 185288510 /nfs/dbraw/zinc/28/85/10/185288510.db2.gz KRWMKBIITBPPCG-CYBMUJFWSA-N 1 0 304.412 1.074 10 0 DDAERO CCN(C1C[NH2+]C1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000090291460 185289694 /nfs/dbraw/zinc/28/96/94/185289694.db2.gz CRQAVDKMRCWKOV-UHFFFAOYSA-N 1 0 309.218 1.976 10 0 DDAERO C[C@](O)(CO)C[NH2+]Cc1cccc(NC(=O)C(F)(F)F)c1 ZINC000090287013 185289729 /nfs/dbraw/zinc/28/97/29/185289729.db2.gz IWFJLNDGIYYPFH-GFCCVEGCSA-N 1 0 306.284 1.020 10 0 DDAERO CCc1cc2c(ncnc2N2CCN(C3C[NH2+]C3)CC2)s1 ZINC000090307970 185290368 /nfs/dbraw/zinc/29/03/68/185290368.db2.gz ZKKDODUIKLXQBV-UHFFFAOYSA-N 1 0 303.435 1.348 10 0 DDAERO c1cc(-c2nc(CN3CC(N4CC[NH2+]CC4)C3)cs2)cs1 ZINC000090309271 185290496 /nfs/dbraw/zinc/29/04/96/185290496.db2.gz ZPXVHQGAZFZGCR-UHFFFAOYSA-N 1 0 320.487 1.961 10 0 DDAERO Clc1ccc(Cl)c(CN2CC(N3CC[NH2+]CC3)C2)n1 ZINC000090309570 185290541 /nfs/dbraw/zinc/29/05/41/185290541.db2.gz KTPCNWKVAWZPLN-UHFFFAOYSA-N 1 0 301.221 1.478 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1ccccc1OC ZINC000090331743 185291478 /nfs/dbraw/zinc/29/14/78/185291478.db2.gz LVAWGMMSORVJQY-JHJVBQTASA-N 1 0 310.419 1.314 10 0 DDAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1c1ccccc1S(=O)(=O)CC ZINC000090333835 185291625 /nfs/dbraw/zinc/29/16/25/185291625.db2.gz LXIURIQFTHSNKC-HZSPNIEDSA-N 1 0 308.447 1.914 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000090331921 185291695 /nfs/dbraw/zinc/29/16/95/185291695.db2.gz HVNNEBWXOUTPQN-XLWJZTARSA-N 1 0 315.483 1.139 10 0 DDAERO CC[NH2+][C@H]1COC[C@H]1C(=O)Nc1cccc(Cl)c1N(C)C ZINC000090489045 185298879 /nfs/dbraw/zinc/29/88/79/185298879.db2.gz MSRJROYRJIMSOU-MFKMUULPSA-N 1 0 311.813 1.969 10 0 DDAERO [NH3+][C@@H]1COC[C@H]1C(=O)Nc1c(F)cc(F)cc1Br ZINC000090379218 185293659 /nfs/dbraw/zinc/29/36/59/185293659.db2.gz HGOBZUGPDCYZMU-HZGVNTEJSA-N 1 0 321.121 1.640 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cc(Cl)ccc1C(=O)OC ZINC000090432956 185296204 /nfs/dbraw/zinc/29/62/04/185296204.db2.gz KPVMOFVYCNRSGG-ZYHUDNBSSA-N 1 0 312.753 1.300 10 0 DDAERO COc1ccc2nc(NC(=O)[C@@]3(C)COC[C@@H]3[NH3+])sc2c1 ZINC000090580765 185304741 /nfs/dbraw/zinc/30/47/41/185304741.db2.gz CWCYDKHUIRNVHK-FZMZJTMJSA-N 1 0 307.375 1.607 10 0 DDAERO O=C(c1cnccn1)N1CCCSC[C@H]1C[NH+]1CCCCC1 ZINC000090701629 185310571 /nfs/dbraw/zinc/31/05/71/185310571.db2.gz NSJUDVMNEHAYHP-CQSZACIVSA-N 1 0 320.462 1.910 10 0 DDAERO Cc1noc(C)c1CNS(=O)(=O)c1cccc(C[NH3+])c1C ZINC000092344260 185313511 /nfs/dbraw/zinc/31/35/11/185313511.db2.gz YPKKPRDTLAWOAZ-UHFFFAOYSA-N 1 0 309.391 1.537 10 0 DDAERO CCc1nn(C)c(C[NH2+][C@@H](CO)C(C)C)c1Br ZINC000092394922 185315833 /nfs/dbraw/zinc/31/58/33/185315833.db2.gz WGMPRPUOBAXDKY-JTQLQIEISA-N 1 0 304.232 1.852 10 0 DDAERO CC[NH2+]C[C@H](C)c1c(C)nn([C@]2(C)CCS(=O)(=O)C2)c1C ZINC000092321809 185312254 /nfs/dbraw/zinc/31/22/54/185312254.db2.gz HKABOVZPEBHCRZ-XHDPSFHLSA-N 1 0 313.467 1.747 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H](C)C(=O)NC(C)(C)C ZINC000154826317 290680051 /nfs/dbraw/zinc/68/00/51/290680051.db2.gz CQJNQKGIUHZYDH-CHWSQXEVSA-N 1 0 314.474 1.565 10 0 DDAERO C[NH2+]Cc1[nH]nc(C)c1S(=O)(=O)NCC1C(C)(C)C1(C)C ZINC000092833118 185344906 /nfs/dbraw/zinc/34/49/06/185344906.db2.gz 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O=C(N[C@@H]1CCOc2ccccc21)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333427671 284083812 /nfs/dbraw/zinc/08/38/12/284083812.db2.gz UDSVYDRRFDPSBK-UMVBOHGHSA-N 1 0 301.390 1.761 10 0 DDAERO CC[NH2+]Cc1sc(N2CCS(=O)(=O)CC2)nc1C(C)C ZINC000092999608 193192255 /nfs/dbraw/zinc/19/22/55/193192255.db2.gz YQDJNYOTYLTGFF-UHFFFAOYSA-N 1 0 317.480 1.611 10 0 DDAERO [NH3+]C[C@H]1CC[C@@H](C(=O)NC2CCN(c3ccccc3)CC2)O1 ZINC000261668602 203089858 /nfs/dbraw/zinc/08/98/58/203089858.db2.gz ABHZANVYQJASHG-CVEARBPZSA-N 1 0 303.406 1.278 10 0 DDAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2ccc3[nH]ccc3c2)cn1 ZINC000261936009 203157840 /nfs/dbraw/zinc/15/78/40/203157840.db2.gz MENUNJSWGXKLKP-CABCVRRESA-N 1 0 309.373 1.843 10 0 DDAERO Cc1ccc([C@@H](C)NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)cc1 ZINC000261951213 203160346 /nfs/dbraw/zinc/16/03/46/203160346.db2.gz OJCHNTYQTUAPMM-XYPHTWIQSA-N 1 0 312.417 1.909 10 0 DDAERO C[C@H]1CN(Cc2ccccc2)CCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000262021188 203176212 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CNS(=O)(=O)c1ccccc1N[C@H](C)C[C@H]1CCCC[NH2+]1 ZINC000093485977 193258624 /nfs/dbraw/zinc/25/86/24/193258624.db2.gz JKFNSDJLKHYPIL-CHWSQXEVSA-N 1 0 311.451 1.927 10 0 DDAERO CN1c2ccccc2[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)CC1=O ZINC000093520431 193263316 /nfs/dbraw/zinc/26/33/16/193263316.db2.gz HGXPAEKNVINOBD-LBPRGKRZSA-N 1 0 310.419 1.507 10 0 DDAERO CC(C)[C@@H]1C[NH2+][C@@H](C2CC2)CN1CC(C)(C)S(C)(=O)=O ZINC000093525857 193263746 /nfs/dbraw/zinc/26/37/46/193263746.db2.gz FPSGHHRCLKGHAF-KGLIPLIRSA-N 1 0 302.484 1.518 10 0 DDAERO CC(C)[NH2+][C@@]1(CO)CCC[C@@H]1CCSCCS(C)(=O)=O ZINC000093622004 193275107 /nfs/dbraw/zinc/27/51/07/193275107.db2.gz DUDRMVDRIMHXTD-ZIAGYGMSSA-N 1 0 323.524 1.684 10 0 DDAERO C[C@@H]1CN(c2ccc(C[NH3+])cc2C(F)(F)F)S(=O)(=O)C1 ZINC000093634422 193277485 /nfs/dbraw/zinc/27/74/85/193277485.db2.gz BSRPLTIWUZHODN-MRVPVSSYSA-N 1 0 308.325 1.950 10 0 DDAERO Cc1ccc(OC[C@@H]2CCCN(S(C)(=O)=O)C2)c(C[NH3+])c1 ZINC000093695935 193291215 /nfs/dbraw/zinc/29/12/15/193291215.db2.gz 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ZINC000093700313 193294362 /nfs/dbraw/zinc/29/43/62/193294362.db2.gz IQNCNAUBIIMRDD-ZIAGYGMSSA-N 1 0 311.451 1.712 10 0 DDAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@@H](Sc2cc(C)nn2C)C1 ZINC000093779199 193306072 /nfs/dbraw/zinc/30/60/72/193306072.db2.gz BYDWYUJEAAVZBA-DOMZBBRYSA-N 1 0 310.467 1.987 10 0 DDAERO Cc1cnc(S[C@H]2CCC[C@@]([NH2+]C3CC3)(C(N)=O)C2)nc1 ZINC000093778935 193306487 /nfs/dbraw/zinc/30/64/87/193306487.db2.gz ZSERBRQYXZXOBD-WFASDCNBSA-N 1 0 306.435 1.796 10 0 DDAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@H](Sc2nnc(C)n2C)C1 ZINC000093779996 193306511 /nfs/dbraw/zinc/30/65/11/193306511.db2.gz BBIBHEHHFAHDGN-SMDDNHRTSA-N 1 0 311.455 1.382 10 0 DDAERO CS(=O)(=O)c1ccc(S[C@@H]2CCC[C@@]([NH3+])(CO)C2)cc1 ZINC000093786359 193307078 /nfs/dbraw/zinc/30/70/78/193307078.db2.gz OSOVATOOAQZTMA-OCCSQVGLSA-N 1 0 315.460 1.815 10 0 DDAERO CC[N@@H+]1CC[C@H](CNS(=O)(=O)c2c(C)cc(N)cc2C)C1 ZINC000093648397 193282896 /nfs/dbraw/zinc/28/28/96/193282896.db2.gz ROAYBWBWXNNIRI-CYBMUJFWSA-N 1 0 311.451 1.506 10 0 DDAERO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1c(C)cc(N)cc1C ZINC000093648689 193283204 /nfs/dbraw/zinc/28/32/04/193283204.db2.gz XNUUFOOHQLSDCJ-CYBMUJFWSA-N 1 0 313.467 1.894 10 0 DDAERO CCC[NH2+][C@@H](C)C1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000093664617 193285676 /nfs/dbraw/zinc/28/56/76/193285676.db2.gz YHQOYTJTONRMEA-AWEZNQCLSA-N 1 0 320.499 1.841 10 0 DDAERO CN(CC1CC[NH2+]CC1)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000094023687 193339568 /nfs/dbraw/zinc/33/95/68/193339568.db2.gz PGMHNTNELCOMQY-UHFFFAOYSA-N 1 0 308.447 1.795 10 0 DDAERO CC[NH2+][C@]1(CO)CC[C@@H](Oc2cccc(S(C)(=O)=O)c2)C1 ZINC000093859641 193319944 /nfs/dbraw/zinc/31/99/44/193319944.db2.gz RTVQVJHQFNXHQY-UKRRQHHQSA-N 1 0 313.419 1.362 10 0 DDAERO OC[C@]1([NH2+]C2CC2)CC[C@@H](Sc2nnc3ccccn32)C1 ZINC000093859913 193320154 /nfs/dbraw/zinc/32/01/54/193320154.db2.gz DGAXDTVRGABBIC-DOMZBBRYSA-N 1 0 304.419 1.857 10 0 DDAERO CC(C)[C@H]1CCC[C@@](C[NH3+])(N(C)CCS(C)(=O)=O)CC1 ZINC000094297709 193357097 /nfs/dbraw/zinc/35/70/97/193357097.db2.gz CASWEWHGYUCVCF-LSDHHAIUSA-N 1 0 304.500 1.897 10 0 DDAERO C[C@H]1CCC[C@](C[NH2+]C2CC2)(CN(C)CCS(C)(=O)=O)C1 ZINC000094300481 193358287 /nfs/dbraw/zinc/35/82/87/193358287.db2.gz GPHPKOCZUYUKDO-HOCLYGCPSA-N 1 0 316.511 1.911 10 0 DDAERO Cc1oc(CN(C)CCS(C)(=O)=O)cc1C[NH2+]C(C)(C)C ZINC000094300956 193359016 /nfs/dbraw/zinc/35/90/16/193359016.db2.gz SVSLLHQVJQDWHZ-UHFFFAOYSA-N 1 0 316.467 1.953 10 0 DDAERO NC(=O)c1ccc(C(F)(F)F)nc1N[C@H]1CCCC[C@@H]1[NH3+] ZINC000094337326 193360973 /nfs/dbraw/zinc/36/09/73/193360973.db2.gz IVDHIYPMBQLFSB-IUCAKERBSA-N 1 0 302.300 1.881 10 0 DDAERO CC(C)N1CCO[C@H](COc2c(F)cc(C[NH3+])cc2F)C1 ZINC000094346063 193363021 /nfs/dbraw/zinc/36/30/21/193363021.db2.gz VRSMRTYSUJKSFY-LBPRGKRZSA-N 1 0 300.349 1.912 10 0 DDAERO Cc1cc(N)c(C)c(S(=O)(=O)NCC2CC[NH+](C)CC2)c1 ZINC000094358593 193364677 /nfs/dbraw/zinc/36/46/77/193364677.db2.gz VPCHHYKZRGOIBR-UHFFFAOYSA-N 1 0 311.451 1.506 10 0 DDAERO [NH3+]CCN1CCC(NC(=O)c2ccc(F)c(F)c2F)CC1 ZINC000094183468 193347754 /nfs/dbraw/zinc/34/77/54/193347754.db2.gz YCVZEQBQGXQIIZ-UHFFFAOYSA-N 1 0 301.312 1.257 10 0 DDAERO CCC([NH3+])(CC)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000094243891 193354773 /nfs/dbraw/zinc/35/47/73/193354773.db2.gz PRUUENHQOOVMFH-SNVBAGLBSA-N 1 0 313.423 1.029 10 0 DDAERO Cc1c(F)cc(N)cc1S(=O)(=O)NCC1CC[NH+](C)CC1 ZINC000094360352 193366198 /nfs/dbraw/zinc/36/61/98/193366198.db2.gz HWLSCGROHGATAK-UHFFFAOYSA-N 1 0 315.414 1.336 10 0 DDAERO [NH3+][C@@H](Cc1ccc(Br)cc1)[C@H]1CN2CCN1CC2 ZINC000094508362 193375309 /nfs/dbraw/zinc/37/53/09/193375309.db2.gz BYRXITAMPNIAJR-UONOGXRCSA-N 1 0 310.239 1.319 10 0 DDAERO COc1cc(OC)c(NC(=O)[C@H]2CC[C@H](C[NH3+])O2)cc1Cl ZINC000094563318 193379781 /nfs/dbraw/zinc/37/97/81/193379781.db2.gz GFFLELWPFAHLBQ-LDYMZIIASA-N 1 0 314.769 1.802 10 0 DDAERO [NH3+]C[C@@H]1CC[C@H](C(=O)NCc2ccc(Br)s2)O1 ZINC000094569264 193380554 /nfs/dbraw/zinc/38/05/54/193380554.db2.gz FSJZKGSBPRTJIL-IONNQARKSA-N 1 0 319.224 1.633 10 0 DDAERO CN(Cc1nc2ccccc2s1)C(=O)[C@H]1CC[C@H](C[NH3+])O1 ZINC000094567827 193380846 /nfs/dbraw/zinc/38/08/46/193380846.db2.gz FQIRJANIUGDYIA-ZYHUDNBSSA-N 1 0 305.403 1.761 10 0 DDAERO C[NH2+][C@H]1CCCN(c2nc3ccc(Br)cn3n2)C1 ZINC000094607768 193384482 /nfs/dbraw/zinc/38/44/82/193384482.db2.gz PHVANHZUPYOWSR-JTQLQIEISA-N 1 0 310.199 1.680 10 0 DDAERO CCC1(CC)CCN([C@]2(C[NH3+])CCC[C@@H]2S(C)(=O)=O)C1 ZINC000094798999 193399349 /nfs/dbraw/zinc/39/93/49/193399349.db2.gz OAJRLBIAACDGOJ-ZFWWWQNUSA-N 1 0 302.484 1.793 10 0 DDAERO O=C(N[C@H]1COc2ccccc2C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246562848 284256462 /nfs/dbraw/zinc/25/64/62/284256462.db2.gz ZMZHAFMNDKKUFF-CVEARBPZSA-N 1 0 315.417 1.870 10 0 DDAERO CCOCCOc1ccc(OCC(=O)NCCC[NH+](C)C)cc1 ZINC000008253237 181539757 /nfs/dbraw/zinc/53/97/57/181539757.db2.gz MESVNSRDSHFNOS-UHFFFAOYSA-N 1 0 324.421 1.549 10 0 DDAERO COCC[N@@H+]1CCC[C@H](c2ncc(C(=O)N(C)C)c(C)n2)C1 ZINC000019753093 182143433 /nfs/dbraw/zinc/14/34/33/182143433.db2.gz FMSKHHMKAFTKLA-ZDUSSCGKSA-N 1 0 306.410 1.313 10 0 DDAERO C[C@H]([NH2+]CCNS(C)(=O)=O)c1ccc2c(c1)OCCCO2 ZINC000021503193 182276019 /nfs/dbraw/zinc/27/60/19/182276019.db2.gz ZNFKAFGCXPLFMU-NSHDSACASA-N 1 0 314.407 1.048 10 0 DDAERO CCCCCn1c2cc(C(=O)N3CC[NH2+]CC3)ccc2oc1=O ZINC000036326020 182816572 /nfs/dbraw/zinc/81/65/72/182816572.db2.gz QNJJPPXKLQEGOV-UHFFFAOYSA-N 1 0 317.389 1.830 10 0 DDAERO [NH3+][C@@H]1CC[C@H](C(=O)NCCNC(=O)c2ccccc2Cl)C1 ZINC000237995170 248571503 /nfs/dbraw/zinc/57/15/03/248571503.db2.gz OXSXEESXMDXMAX-WDEREUQCSA-N 1 0 309.797 1.313 10 0 DDAERO CCN(C)C(=O)COc1ccc(Br)cc1CC[NH3+] ZINC000037720905 182919884 /nfs/dbraw/zinc/91/98/84/182919884.db2.gz AVUSHPCONFUKHO-UHFFFAOYSA-N 1 0 315.211 1.807 10 0 DDAERO C[C@@H]1CCN(C(=O)NC[C@@H]2COc3ccccc32)[C@@H](C[NH3+])C1 ZINC000333493889 249001860 /nfs/dbraw/zinc/00/18/60/249001860.db2.gz CQAULPRFTGIAQF-MGPQQGTHSA-N 1 0 303.406 1.931 10 0 DDAERO CO[C@H]1C[NH2+][C@H](C(=O)N(C)Cc2c(F)cccc2Cl)C1 ZINC000040634601 183112631 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ZINC000042411346 183265603 /nfs/dbraw/zinc/26/56/03/183265603.db2.gz KOTZKIMEVDOZIH-UHFFFAOYSA-N 1 0 301.184 1.765 10 0 DDAERO CN(Cc1cccc(Br)c1)C(=O)N1CC[NH2+]CC1 ZINC000042440450 183270462 /nfs/dbraw/zinc/27/04/62/183270462.db2.gz ODKOAQGHGUPIAY-UHFFFAOYSA-N 1 0 312.211 1.906 10 0 DDAERO CC(C)[N@H+](CCCO)CC(=O)Nc1ccccc1C(N)=S ZINC000042505959 183277722 /nfs/dbraw/zinc/27/77/22/183277722.db2.gz RPVZDFBMKHEEAY-UHFFFAOYSA-N 1 0 309.435 1.352 10 0 DDAERO [NH3+]CCc1ccc(S(=O)(=O)N(CCO)C2CCCC2)s1 ZINC000042526728 183280264 /nfs/dbraw/zinc/28/02/64/183280264.db2.gz DHOJDCGVLTWDNV-UHFFFAOYSA-N 1 0 318.464 1.175 10 0 DDAERO NC(=O)[C@@H](c1ccc(Br)s1)N1CCC[NH2+]CC1 ZINC000042374009 183261078 /nfs/dbraw/zinc/26/10/78/183261078.db2.gz WRZZLGVMQBIPJC-SNVBAGLBSA-N 1 0 318.240 1.332 10 0 DDAERO CC[C@H](C)N(CCOC)S(=O)(=O)Cc1ccccc1C[NH3+] ZINC000042589103 183289023 /nfs/dbraw/zinc/28/90/23/183289023.db2.gz IFXUMXSAOZBZCI-ZDUSSCGKSA-N 1 0 314.451 1.722 10 0 DDAERO COCCN([C@@H](C[NH3+])c1ccc(F)c(F)c1)[C@@H](C)COC ZINC000042606657 183290791 /nfs/dbraw/zinc/29/07/91/183290791.db2.gz AOKVXRFDXQYUBR-NHYWBVRUSA-N 1 0 302.365 1.948 10 0 DDAERO CNC(=O)CN(C)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043020461 183328609 /nfs/dbraw/zinc/32/86/09/183328609.db2.gz KOXXIXOKINLGGD-NSHDSACASA-N 1 0 300.200 1.127 10 0 DDAERO CC(C)CN(CC[NH+](C)C)C(=O)c1cccc(C(N)=S)c1 ZINC000042780746 183308510 /nfs/dbraw/zinc/30/85/10/183308510.db2.gz UGTJDWRPPQWXQI-UHFFFAOYSA-N 1 0 307.463 1.981 10 0 DDAERO CC[C@H]([NH3+])[C@H](c1ccsc1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043118555 183338810 /nfs/dbraw/zinc/33/88/10/183338810.db2.gz MVCKNYBZIFJTKE-AGIUHOORSA-N 1 0 302.465 1.645 10 0 DDAERO C[NH2+][C@@H](c1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300409 183352469 /nfs/dbraw/zinc/35/24/69/183352469.db2.gz BLKCLFDINBMBMG-JQWIXIFHSA-N 1 0 305.346 1.983 10 0 DDAERO C[C@@H]([NH3+])[C@@H](Oc1cccc(S(C)(=O)=O)c1)c1ccccn1 ZINC000043343878 183355685 /nfs/dbraw/zinc/35/56/85/183355685.db2.gz 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194136078 /nfs/dbraw/zinc/13/60/78/194136078.db2.gz SBNVKXLNKZRPPL-JKSUJKDBSA-N 1 0 311.470 1.286 10 0 DDAERO CCCCNC(=O)[C@H](C)N1CC[N@H+](CCOCC)[C@H](CC)C1 ZINC000105838126 194143661 /nfs/dbraw/zinc/14/36/61/194143661.db2.gz RATZRSRXSWKZTM-JKSUJKDBSA-N 1 0 313.486 1.724 10 0 DDAERO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)cc1 ZINC000105871279 194151046 /nfs/dbraw/zinc/15/10/46/194151046.db2.gz QPJCFAAAEWTWIW-YPMHNXCESA-N 1 0 315.377 1.218 10 0 DDAERO Cc1ncc(C[N@H+]2CCCN(Cc3cnn(C)c3)CC2)s1 ZINC000105869961 194152336 /nfs/dbraw/zinc/15/23/36/194152336.db2.gz QBNKFNSGPUMITE-UHFFFAOYSA-N 1 0 305.451 1.893 10 0 DDAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)NCc1ccccc1F ZINC000105871985 194152371 /nfs/dbraw/zinc/15/23/71/194152371.db2.gz KKMPGVUYDNUZCQ-AAEUAGOBSA-N 1 0 317.368 1.027 10 0 DDAERO CCCCCNC(=O)C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105909890 194167460 /nfs/dbraw/zinc/16/74/60/194167460.db2.gz OOLOJUVFBOVXBC-OAHLLOKOSA-N 1 0 319.453 1.684 10 0 DDAERO CC[C@@H]1CN(CC(=O)N2CCCC[C@@H]2C)CC[N@@H+]1CCOC ZINC000105914485 194169005 /nfs/dbraw/zinc/16/90/05/194169005.db2.gz AQHMFYUKOGGHIJ-JKSUJKDBSA-N 1 0 311.470 1.430 10 0 DDAERO COCC[N@@H+]1CCN(Cc2ccc3c(c2)OCCO3)C[C@H]1C ZINC000106106878 194185324 /nfs/dbraw/zinc/18/53/24/194185324.db2.gz HVYXFLCKFVENTM-CQSZACIVSA-N 1 0 306.406 1.610 10 0 DDAERO CCN(c1ccc(C[NH3+])cc1)S(=O)(=O)c1cn(C)c(C)n1 ZINC000050252191 183779378 /nfs/dbraw/zinc/77/93/78/183779378.db2.gz ZVCXQNROOZBKND-UHFFFAOYSA-N 1 0 308.407 1.402 10 0 DDAERO CC[C@@H](C(N)=S)[NH+]1CCN(C(=O)c2cccc(C)n2)CC1 ZINC000109461422 194265397 /nfs/dbraw/zinc/26/53/97/194265397.db2.gz PPSUKUBOIYZVAB-ZDUSSCGKSA-N 1 0 306.435 1.213 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000109460452 194265522 /nfs/dbraw/zinc/26/55/22/194265522.db2.gz VDEIXCGVOQOQJK-CYBMUJFWSA-N 1 0 309.410 1.648 10 0 DDAERO C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000051359386 183824872 /nfs/dbraw/zinc/82/48/72/183824872.db2.gz 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/nfs/dbraw/zinc/39/28/29/194392829.db2.gz VKNLJEDSCGSBRI-UHFFFAOYSA-N 1 0 318.190 1.804 10 0 DDAERO CCOCCN(CC)S(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000111125593 194393356 /nfs/dbraw/zinc/39/33/56/194393356.db2.gz LJICDHQQQABHST-LBPRGKRZSA-N 1 0 300.424 1.753 10 0 DDAERO CN(CC[NH+](C)C)C(=O)c1cc(Br)cnc1N ZINC000111151640 194396539 /nfs/dbraw/zinc/39/65/39/194396539.db2.gz CWDCRNXKVUTJQU-UHFFFAOYSA-N 1 0 301.188 1.060 10 0 DDAERO CC[NH2+]C(C)(C)C(=O)Nc1cc(S(=O)(=O)NC)ccc1C ZINC000061290039 184167504 /nfs/dbraw/zinc/16/75/04/184167504.db2.gz HRYFVTSWVBMBFP-UHFFFAOYSA-N 1 0 313.423 1.230 10 0 DDAERO C[NH+](C)C[C@@H]1CCCN1CCOc1ccc(C(N)=S)cc1 ZINC000061644326 184180528 /nfs/dbraw/zinc/18/05/28/184180528.db2.gz OWADHRHGVNZKKA-AWEZNQCLSA-N 1 0 307.463 1.726 10 0 DDAERO CCCNS(=O)(=O)c1ccccc1NCC[N@H+](C)C1CC1 ZINC000062010279 184200914 /nfs/dbraw/zinc/20/09/14/184200914.db2.gz FTFIDSGFZKMEBC-UHFFFAOYSA-N 1 0 311.451 1.881 10 0 DDAERO COCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(N)=S ZINC000062031576 184202398 /nfs/dbraw/zinc/20/23/98/184202398.db2.gz GUMDELGHTKPCSS-NSHDSACASA-N 1 0 309.435 1.616 10 0 DDAERO CCCn1cc(S(=O)(=O)NC[C@H]2CC[C@@H](C)[NH2+]C2)nc1C ZINC000062037541 184203159 /nfs/dbraw/zinc/20/31/59/184203159.db2.gz ZGQNVOCDLZLOHQ-YPMHNXCESA-N 1 0 314.455 1.268 10 0 DDAERO C[C@@H](CNS(=O)(=O)c1ccc(F)cc1N)C[NH+]1CCCC1 ZINC000062069418 184204009 /nfs/dbraw/zinc/20/40/09/184204009.db2.gz JUNSYNBTDRJWMW-NSHDSACASA-N 1 0 315.414 1.418 10 0 DDAERO CCC1(C(=O)Nc2ccc(S(C)(=O)=O)cc2)CC[NH2+]CC1 ZINC000062847887 184256457 /nfs/dbraw/zinc/25/64/57/184256457.db2.gz CJMNZTSNBVFUFO-UHFFFAOYSA-N 1 0 310.419 1.808 10 0 DDAERO CC[C@@]1(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CCC[NH2+]C1 ZINC000062852285 184256567 /nfs/dbraw/zinc/25/65/67/184256567.db2.gz JARPZSROWXSUPA-CQSZACIVSA-N 1 0 311.407 1.052 10 0 DDAERO [NH3+]CC1(N2CCCc3ccccc3C2)CCS(=O)(=O)CC1 ZINC000062944422 184262109 /nfs/dbraw/zinc/26/21/09/184262109.db2.gz YFYCJPVTYCFQFS-UHFFFAOYSA-N 1 0 308.447 1.341 10 0 DDAERO CNc1ccccc1S(=O)(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062943537 184262124 /nfs/dbraw/zinc/26/21/24/184262124.db2.gz AKBYNRKHANHYAF-CYBMUJFWSA-N 1 0 309.435 1.587 10 0 DDAERO Cc1ccc(F)cc1C(=O)NC1(C(N)=S)CC[NH+](C)CC1 ZINC000062665753 184247230 /nfs/dbraw/zinc/24/72/30/184247230.db2.gz UHEVWXZLZXWMGD-UHFFFAOYSA-N 1 0 309.410 1.614 10 0 DDAERO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1csc(CC(=O)N(C)C)n1 ZINC000063194689 184277767 /nfs/dbraw/zinc/27/77/67/184277767.db2.gz HUZROAFDGWZIRG-DGCLKSJQSA-N 1 0 310.467 1.476 10 0 DDAERO COc1ccc(C)cc1S(=O)(=O)N[C@H]1CCCCC[C@@H]1[NH3+] ZINC000063213302 184278489 /nfs/dbraw/zinc/27/84/89/184278489.db2.gz LMOLKNMJRADBMM-STQMWFEESA-N 1 0 312.435 1.942 10 0 DDAERO C[NH+](C)[C@@H]1CCN(CCOc2ccc(CC(N)=S)cc2)C1 ZINC000062965741 184262937 /nfs/dbraw/zinc/26/29/37/184262937.db2.gz IHVBDICSPAVJJT-CQSZACIVSA-N 1 0 307.463 1.530 10 0 DDAERO C[NH+](C)[C@H]1CCN(CCC(=O)Nc2ccc(Cl)cc2N)C1 ZINC000062963804 184262950 /nfs/dbraw/zinc/26/29/50/184262950.db2.gz KZJZUEYOEFBNLL-LBPRGKRZSA-N 1 0 310.829 1.887 10 0 DDAERO CC[NH2+][C@H](C)c1cnc(N2CC[C@H](N3CCOCC3)C2)s1 ZINC000062975236 184263757 /nfs/dbraw/zinc/26/37/57/184263757.db2.gz OTRXIXYKPJQOEE-OLZOCXBDSA-N 1 0 310.467 1.725 10 0 DDAERO Cn1ncc2c1nc(CN1CCC([NH+](C)C)CC1)nc2Cl ZINC000063077300 184269186 /nfs/dbraw/zinc/26/91/86/184269186.db2.gz ZFSFPVJQHICYFW-UHFFFAOYSA-N 1 0 308.817 1.543 10 0 DDAERO CCOCCS(=O)(=O)N(CC)C1(C[NH3+])CCC(CC)CC1 ZINC000063153366 184274052 /nfs/dbraw/zinc/27/40/52/184274052.db2.gz LULSNTJIAVCNGN-UHFFFAOYSA-N 1 0 320.499 1.972 10 0 DDAERO COCCC[NH2+]CC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000066068356 184386351 /nfs/dbraw/zinc/38/63/51/184386351.db2.gz JQBOQQIXMMFUGN-UHFFFAOYSA-N 1 0 321.421 1.780 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)NC[C@@H](C)CSC)cc1 ZINC000069456958 184516629 /nfs/dbraw/zinc/51/66/29/184516629.db2.gz OZMXYUHCCKWWTO-LLVKDONJSA-N 1 0 302.465 1.683 10 0 DDAERO CCOC[C@H](O)COc1ccc(C[NH2+]C)cc1Br ZINC000069275909 184506147 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407591506 /nfs/dbraw/zinc/59/15/06/407591506.db2.gz NEUNLDITGNBICV-UHFFFAOYSA-N 1 0 317.437 1.385 10 0 DDAERO O[C@@H](COCc1ccccc1)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000114562795 407589807 /nfs/dbraw/zinc/58/98/07/407589807.db2.gz ATTRPPSOTFVWJU-QZTJIDSGSA-N 1 0 304.434 1.734 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccccc2OCCC(N)=O)C1 ZINC000171079317 407590398 /nfs/dbraw/zinc/59/03/98/407590398.db2.gz KEOHGSGZBCRKIE-GFCCVEGCSA-N 1 0 320.393 1.109 10 0 DDAERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)NC(=O)Nc1ccccc1 ZINC000178638901 407521730 /nfs/dbraw/zinc/52/17/30/407521730.db2.gz HZEMORAINUOVKZ-CQSZACIVSA-N 1 0 302.378 1.115 10 0 DDAERO CCOC(=O)N1CC[C@H](NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000185922439 407539604 /nfs/dbraw/zinc/53/96/04/407539604.db2.gz AXIQYHBXCHEZBZ-UONOGXRCSA-N 1 0 324.425 1.097 10 0 DDAERO CCc1nnc([C@H]2CN(Cc3ccc(OC)cc3)CCO2)[nH]1 ZINC000129229210 407599462 /nfs/dbraw/zinc/59/94/62/407599462.db2.gz ZOGDLLPWWBHYPL-CQSZACIVSA-N 1 0 302.378 1.949 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(N)cc1 ZINC000186196547 407600004 /nfs/dbraw/zinc/60/00/04/407600004.db2.gz DRGQZONTCZFEKX-CQSZACIVSA-N 1 0 311.451 1.668 10 0 DDAERO CCc1cccc(CC(=O)N2CCN(CCOC)[C@H](C)C2)c1 ZINC000152378356 407626148 /nfs/dbraw/zinc/62/61/48/407626148.db2.gz YATYTHPXCZFTPW-OAHLLOKOSA-N 1 0 304.434 1.971 10 0 DDAERO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)C1 ZINC000261837550 407634329 /nfs/dbraw/zinc/63/43/29/407634329.db2.gz ABHSUSQLLQKYMZ-HMDCTGQHSA-N 1 0 323.481 1.380 10 0 DDAERO CCNC(=O)Nc1cccc(NC(=O)C2([NH3+])CCOCC2)c1 ZINC000261855863 407644664 /nfs/dbraw/zinc/64/46/64/407644664.db2.gz MWEAINSIYDDDNZ-UHFFFAOYSA-N 1 0 306.366 1.274 10 0 DDAERO COc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)c1OC ZINC000261885439 407652292 /nfs/dbraw/zinc/65/22/92/407652292.db2.gz FVXBWDSHSQZKSH-OAGGEKHMSA-N 1 0 320.433 1.951 10 0 DDAERO CC(C)COc1ccccc1CNC(=O)C1([NH3+])CCOCC1 ZINC000261885915 407657534 /nfs/dbraw/zinc/65/75/34/407657534.db2.gz 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DDAERO C[C@H](Oc1cccc(F)c1)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116793695 407780773 /nfs/dbraw/zinc/78/07/73/407780773.db2.gz SKYFCZFFDCUSIK-WFASDCNBSA-N 1 0 310.369 1.382 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)CCCOc2ccccc2)CCO1 ZINC000116794176 407780985 /nfs/dbraw/zinc/78/09/85/407780985.db2.gz CVVCKOMOJSPWNN-MRXNPFEDSA-N 1 0 306.406 1.635 10 0 DDAERO COC[C@H]([NH3+])C(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000262289203 407784176 /nfs/dbraw/zinc/78/41/76/407784176.db2.gz MUBVSIDJOBUPNU-KRWDZBQOSA-N 1 0 314.385 1.856 10 0 DDAERO CC[S@](=O)c1ccccc1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116786291 407777379 /nfs/dbraw/zinc/77/73/79/407777379.db2.gz BLJLCBGCYQRPMP-MCMMXHMISA-N 1 0 324.446 1.217 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)CCc2cccc(F)c2F)CCO1 ZINC000116795163 407779840 /nfs/dbraw/zinc/77/98/40/407779840.db2.gz JNMQCFIRHSBNFG-ZDUSSCGKSA-N 1 0 312.360 1.686 10 0 DDAERO O=C(NC1CCC2(CC1)OCCO2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171900640 407789545 /nfs/dbraw/zinc/78/95/45/407789545.db2.gz AOFNSBJOOQEUHD-CQSZACIVSA-N 1 0 309.410 1.162 10 0 DDAERO COC[C@@H]([NH3+])C(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1 ZINC000262304387 407790373 /nfs/dbraw/zinc/79/03/73/407790373.db2.gz OHDPVAKQIXQMLB-DZGCQCFKSA-N 1 0 322.405 1.000 10 0 DDAERO COCCSc1ccc([C@H](C)NC(=O)[C@H]([NH3+])COC)cc1 ZINC000262301372 407790416 /nfs/dbraw/zinc/79/04/16/407790416.db2.gz NYAFHEIOPYSIBA-SMDDNHRTSA-N 1 0 312.435 1.576 10 0 DDAERO C[NH+](C)C[C@H]1CN(S(=O)(=O)/C=C/c2ccccc2)CCO1 ZINC000116900812 407794243 /nfs/dbraw/zinc/79/42/43/407794243.db2.gz JMHUPCNZUDDIGH-SHQCLWGWSA-N 1 0 310.419 1.250 10 0 DDAERO Cc1ccccc1CS(=O)(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116900281 407795956 /nfs/dbraw/zinc/79/59/56/407795956.db2.gz QZEXZPPZSDEQPG-OAHLLOKOSA-N 1 0 312.435 1.087 10 0 DDAERO C[C@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)Oc1ccccc1 ZINC000117050793 407808900 /nfs/dbraw/zinc/80/89/00/407808900.db2.gz KGSHADQWBPJRPW-ZBFHGGJFSA-N 1 0 321.421 1.426 10 0 DDAERO CC(C)[C@H]1C(=O)NCCN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000187010099 407812093 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CCC[NH2+][C@@H]1c2ccccc2OC[C@@H]1Sc1nnnn1C ZINC000081843819 192331067 /nfs/dbraw/zinc/33/10/67/192331067.db2.gz MUXSUELVRXSMDN-QWHCGFSZSA-N 1 0 305.407 1.804 10 0 DDAERO C[NH2+][C@@H]1c2ccc(OC)cc2CC[C@@H]1Sc1nnnn1C ZINC000081844748 192331375 /nfs/dbraw/zinc/33/13/75/192331375.db2.gz UWSGVCLIAAVTFU-QWHCGFSZSA-N 1 0 305.407 1.586 10 0 DDAERO C[NH2+][C@H]1c2ccccc2OC[C@@H]1Sc1nnnn1C1CC1 ZINC000081867608 192333599 /nfs/dbraw/zinc/33/35/99/192333599.db2.gz BIQCLXATLLEWNZ-STQMWFEESA-N 1 0 303.391 1.822 10 0 DDAERO C[C@@H](CS(C)(=O)=O)NC(=O)CC[C@@H](CC[NH3+])C(C)(C)C ZINC000081903693 192336251 /nfs/dbraw/zinc/33/62/51/192336251.db2.gz YESAYQSCVUSKGK-RYUDHWBXSA-N 1 0 306.472 1.327 10 0 DDAERO Cc1ccc(S(=O)(=O)[C@@H]2CC3(CC[C@@H]2[NH3+])OCCO3)cc1 ZINC000081920869 192339265 /nfs/dbraw/zinc/33/92/65/192339265.db2.gz FTLCNUMISVFRTN-UONOGXRCSA-N 1 0 311.403 1.392 10 0 DDAERO CCC[NH2+][C@@H]1CCOC[C@H]1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000081934641 192342960 /nfs/dbraw/zinc/34/29/60/192342960.db2.gz ZMFNPAHTTWJRID-ZIAGYGMSSA-N 1 0 319.373 1.896 10 0 DDAERO COc1cc(CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)ccn1 ZINC000079105906 185158841 /nfs/dbraw/zinc/15/88/41/185158841.db2.gz FASWEMIPTHOJAK-CQSZACIVSA-N 1 0 308.426 1.866 10 0 DDAERO CCN(C(=O)CC[C@H](CC[NH3+])C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000079276706 185163046 /nfs/dbraw/zinc/16/30/46/185163046.db2.gz LWYYVAWEIXCFSB-KGLIPLIRSA-N 1 0 318.483 1.423 10 0 DDAERO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3cccnc3)CC2)CCO1 ZINC000079427350 185171289 /nfs/dbraw/zinc/17/12/89/185171289.db2.gz WTOQYQRYFLANJS-ZDUSSCGKSA-N 1 0 304.394 1.799 10 0 DDAERO C[NH+](C)CCCNC(=O)c1cc(Br)ccc1N ZINC000082697800 185195788 /nfs/dbraw/zinc/19/57/88/185195788.db2.gz IMHZRBOEWWQBHI-UHFFFAOYSA-N 1 0 300.200 1.713 10 0 DDAERO CC[C@H](C[NH3+])NS(=O)(=O)c1cc(OC)c(OC)cc1C ZINC000087386047 185223292 /nfs/dbraw/zinc/22/32/92/185223292.db2.gz OLHQGGYZLUUVNJ-SNVBAGLBSA-N 1 0 302.396 1.028 10 0 DDAERO CC[C@@H](C[NH3+])NS(=O)(=O)c1cc(Br)ccc1C ZINC000087386252 185223459 /nfs/dbraw/zinc/22/34/59/185223459.db2.gz RXPWPCCSBRIDDQ-JTQLQIEISA-N 1 0 321.240 1.773 10 0 DDAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000087404404 185223816 /nfs/dbraw/zinc/22/38/16/185223816.db2.gz GBVSQSFCOVRJND-VIFPVBQESA-N 1 0 320.386 1.249 10 0 DDAERO COc1cc(F)c(S(=O)(=O)N[C@H](C[NH3+])C(C)C)cc1OC ZINC000087405022 185224176 /nfs/dbraw/zinc/22/41/76/185224176.db2.gz VYQDMYIHXQBIHL-SNVBAGLBSA-N 1 0 320.386 1.105 10 0 DDAERO Cc1cc(NC(=O)[C@@H](C[NH3+])C(C)C)ccc1NS(C)(=O)=O ZINC000087519982 185227715 /nfs/dbraw/zinc/22/77/15/185227715.db2.gz OKHMYNUVDYPPJZ-LBPRGKRZSA-N 1 0 313.423 1.536 10 0 DDAERO Cc1nnc(SCC(=O)N(C)c2ccccc2)n1CC[NH3+] ZINC000087711546 185230882 /nfs/dbraw/zinc/23/08/82/185230882.db2.gz NZKYGJUKWXYZHU-UHFFFAOYSA-N 1 0 305.407 1.300 10 0 DDAERO CCOC(=O)C[C@@](C)(CC(C)(C)OC)[NH+]1CCN(C)CC1 ZINC000088045949 185237801 /nfs/dbraw/zinc/23/78/01/185237801.db2.gz SIQSXNGXMRCYGU-INIZCTEOSA-N 1 0 300.443 1.761 10 0 DDAERO COc1ccc(C[N@@H+](CC(N)=O)CC(C)C)cc1C(N)=S ZINC000087832583 185232494 /nfs/dbraw/zinc/23/24/94/185232494.db2.gz PSWNVFRIQXVLQA-UHFFFAOYSA-N 1 0 309.435 1.273 10 0 DDAERO CN(c1nc(NN)[nH+]cc1Br)C1CCOCC1 ZINC000087854580 185233553 /nfs/dbraw/zinc/23/35/53/185233553.db2.gz QCETZVVAWJOPEE-UHFFFAOYSA-N 1 0 302.176 1.140 10 0 DDAERO C[NH2+][C@@H](Cc1ccc(Br)cc1)[C@@H]1COCCO1 ZINC000087857642 185233612 /nfs/dbraw/zinc/23/36/12/185233612.db2.gz YYYLOSAMSCUCPB-STQMWFEESA-N 1 0 300.196 1.995 10 0 DDAERO CCO[C@@H](C[NH3+])C[S@@](=O)c1ccc(Br)cc1 ZINC000088144584 185240616 /nfs/dbraw/zinc/24/06/16/185240616.db2.gz COBAFQVBAUTUPM-QFYYESIMSA-N 1 0 306.225 1.921 10 0 DDAERO COc1ccccc1C[C@@H](C)N(C)S(=O)(=O)CCCC[NH3+] ZINC000088196221 185241541 /nfs/dbraw/zinc/24/15/41/185241541.db2.gz LWHPMQGMTSTSOW-CYBMUJFWSA-N 1 0 314.451 1.627 10 0 DDAERO O=C1CCCN1C[C@@H](O)C[NH2+][C@H](CCCO)c1ccccc1 ZINC000179740508 539234765 /nfs/dbraw/zinc/23/47/65/539234765.db2.gz BBDFXDMYIOIULO-JKSUJKDBSA-N 1 0 306.406 1.073 10 0 DDAERO CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2c[nH]nc2C)ncn1 ZINC000180851191 539236406 /nfs/dbraw/zinc/23/64/06/539236406.db2.gz KHDYECLBVCFJRQ-AAEUAGOBSA-N 1 0 315.425 1.869 10 0 DDAERO COc1ccc(Br)c(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)c1 ZINC000088321324 185245483 /nfs/dbraw/zinc/24/54/83/185245483.db2.gz YDNDNIRJDMHRFO-CPCISQLKSA-N 1 0 315.167 1.119 10 0 DDAERO CCC[NH2+][C@H]1CCCCCC[C@H]1S(=O)(=O)CC(=O)OC ZINC000081975947 192348646 /nfs/dbraw/zinc/34/86/46/192348646.db2.gz FSONZUYCZUTISX-QWHCGFSZSA-N 1 0 305.440 1.665 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)N1c2ccccc2C[C@@H]1C)C(C)C ZINC000183661923 539242929 /nfs/dbraw/zinc/24/29/29/539242929.db2.gz PZESDTKGARLCIP-BLLLJJGKSA-N 1 0 303.406 1.324 10 0 DDAERO O=S(=O)(C1CC[NH2+]CC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000088433035 185249625 /nfs/dbraw/zinc/24/96/25/185249625.db2.gz HYHPPUMGLOIJNR-VIFPVBQESA-N 1 0 300.346 1.343 10 0 DDAERO C[NH2+][C@@](CN(C)CCC(F)(F)F)(C(N)=O)c1ccccc1 ZINC000088434686 185250026 /nfs/dbraw/zinc/25/00/26/185250026.db2.gz LBMJDXFVJUSIGN-CYBMUJFWSA-N 1 0 303.328 1.471 10 0 DDAERO O[C@H]1CCC2(C[C@@H]1[NH+]1CCC(C(F)(F)F)CC1)OCCO2 ZINC000088434153 185250103 /nfs/dbraw/zinc/25/01/03/185250103.db2.gz SXJRFSLSLUQGGP-RYUDHWBXSA-N 1 0 309.328 1.917 10 0 DDAERO CN(CCC(F)(F)F)Cc1nc2c(cnn2C)c(NN)[nH+]1 ZINC000088435814 185250599 /nfs/dbraw/zinc/25/05/99/185250599.db2.gz NGGOVXDCJOPCAQ-UHFFFAOYSA-N 1 0 303.292 1.033 10 0 DDAERO Cc1noc2ncnc(N(C)CC3CC[NH+](C[C@@H](C)O)CC3)c12 ZINC000193394432 539261353 /nfs/dbraw/zinc/26/13/53/539261353.db2.gz GENNTUGLUAKMMH-LLVKDONJSA-N 1 0 319.409 1.455 10 0 DDAERO C[C@H]([NH2+]CCN1CCCS1(=O)=O)c1ccc(F)c(F)c1 ZINC000358140774 299086220 /nfs/dbraw/zinc/08/62/20/299086220.db2.gz YFVZXRLRQZGSLV-JTQLQIEISA-N 1 0 304.362 1.651 10 0 DDAERO CS(=O)(=O)CC[S@](=O)[C@H]1CCCc2ccccc2[C@@H]1[NH3+] ZINC000081992372 192352048 /nfs/dbraw/zinc/35/20/48/192352048.db2.gz SHXFWXVIPGQOOV-CKFHNAJUSA-N 1 0 315.460 1.185 10 0 DDAERO CC[NH2+][C@H](C[S@](=O)CCS(C)(=O)=O)c1ccccc1C ZINC000082006770 192353158 /nfs/dbraw/zinc/35/31/58/192353158.db2.gz NOENGYPAYTTYPR-KUHUBIRLSA-N 1 0 317.476 1.439 10 0 DDAERO C[C@@](O)(CO)C[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000090285872 185289387 /nfs/dbraw/zinc/28/93/87/185289387.db2.gz KXJBAOIQIPLBQZ-KBPBESRZSA-N 1 0 314.223 1.639 10 0 DDAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NC(=O)c1ccc(Br)cn1 ZINC000090311667 185290391 /nfs/dbraw/zinc/29/03/91/185290391.db2.gz RWNNPZVSGFXZGH-GDPRMGEGSA-N 1 0 314.183 1.079 10 0 DDAERO C[NH2+][C@H]1CCC2(C[C@H]1S(=O)(=O)CC1CCCC1)OCCO2 ZINC000081991070 192352594 /nfs/dbraw/zinc/35/25/94/192352594.db2.gz HCVOCLVNTHUJRW-UONOGXRCSA-N 1 0 317.451 1.475 10 0 DDAERO CCC[NH2+]CCCS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000081990879 192352610 /nfs/dbraw/zinc/35/26/10/192352610.db2.gz FTUNOHOZZKSJGU-UHFFFAOYSA-N 1 0 319.448 1.254 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1ccc(OC)cc1 ZINC000090331691 185291379 /nfs/dbraw/zinc/29/13/79/185291379.db2.gz ZDRNOBFCDVCXEF-KCPJHIHWSA-N 1 0 310.419 1.314 10 0 DDAERO CCC(CC)[C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N1CCOCC1 ZINC000173574273 282221253 /nfs/dbraw/zinc/22/12/53/282221253.db2.gz RUZJMKZMXFTSNA-SJORKVTESA-N 1 0 323.481 1.430 10 0 DDAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000090489208 185298759 /nfs/dbraw/zinc/29/87/59/185298759.db2.gz VVUFOINYQRFMAM-LDYMZIIASA-N 1 0 312.753 1.632 10 0 DDAERO CC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cc(C(N)=O)ccc1Cl ZINC000090489131 185298806 /nfs/dbraw/zinc/29/88/06/185298806.db2.gz BHULBLZRSBBJJD-CABZTGNLSA-N 1 0 311.769 1.002 10 0 DDAERO C[C@H](NC(=O)[C@H]1COC[C@@H]1[NH3+])c1ccccc1OC(F)F ZINC000090380790 185293528 /nfs/dbraw/zinc/29/35/28/185293528.db2.gz JCAZMBAEMOWBBQ-LSJOCFKGSA-N 1 0 300.305 1.439 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000090431641 185295866 /nfs/dbraw/zinc/29/58/66/185295866.db2.gz MTQMGFYNWVUBJX-BDAKNGLRSA-N 1 0 300.261 1.181 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(Br)cc1F ZINC000090431570 185295934 /nfs/dbraw/zinc/29/59/34/185295934.db2.gz ZLZLEDJFZXCSNQ-LDYMZIIASA-N 1 0 317.158 1.761 10 0 DDAERO CCOCCCN(CC(F)(F)F)C(=O)[C@H]1COC[C@@H]1[NH2+]C ZINC000090435166 185296190 /nfs/dbraw/zinc/29/61/90/185296190.db2.gz MUEQGYLXSZVDAA-QWRGUYRKSA-N 1 0 312.332 1.038 10 0 DDAERO COC(=O)c1cc(NC(=O)[C@]2(C)COC[C@@H]2[NH3+])ccc1Cl ZINC000090585396 185305163 /nfs/dbraw/zinc/30/51/63/185305163.db2.gz LSYBOWAVFKNJMR-SMDDNHRTSA-N 1 0 312.753 1.429 10 0 DDAERO C[C@@]1(CN2CCN(c3cccc(Cl)c3)CC2)COC[C@@H]1[NH3+] ZINC000090606412 185306277 /nfs/dbraw/zinc/30/62/77/185306277.db2.gz DLVMOIVLQQJJPF-JKSUJKDBSA-N 1 0 309.841 1.826 10 0 DDAERO C[C@]1(C(=O)Nc2ncccc2Br)COC[C@@H]1[NH3+] ZINC000090605998 185306385 /nfs/dbraw/zinc/30/63/85/185306385.db2.gz YRRXKYCJCOTOLC-KWQFWETISA-N 1 0 300.156 1.146 10 0 DDAERO C[C@]1(C(=O)Nc2ccc(OC(F)(F)F)cc2)COC[C@H]1[NH3+] ZINC000090580647 185304879 /nfs/dbraw/zinc/30/48/79/185304879.db2.gz ZYQQJYBOEXLHOF-PWSUYJOCSA-N 1 0 304.268 1.888 10 0 DDAERO O=C(c1ccc(=O)[nH]n1)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000090700457 185310346 /nfs/dbraw/zinc/31/03/46/185310346.db2.gz TUJGKUMOUDZUDI-GFCCVEGCSA-N 1 0 322.434 1.226 10 0 DDAERO COCCNC(=O)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000090700980 185310685 /nfs/dbraw/zinc/31/06/85/185310685.db2.gz IUPUPLBHWKMPKR-ZDUSSCGKSA-N 1 0 301.456 1.246 10 0 DDAERO Cc1noc(C)c1CNS(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000092344298 185313396 /nfs/dbraw/zinc/31/33/96/185313396.db2.gz SXSNXCZAJHATSG-UHFFFAOYSA-N 1 0 309.391 1.370 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)Cc1ccccc1N ZINC000092622639 185329621 /nfs/dbraw/zinc/32/96/21/185329621.db2.gz JIEAOMLJTDSRNH-AWEZNQCLSA-N 1 0 311.451 1.515 10 0 DDAERO CCn1cnc(S(=O)(=O)NC2(C[NH3+])CCC(C)CC2)c1 ZINC000092889760 185347994 /nfs/dbraw/zinc/34/79/94/185347994.db2.gz RTWXJIGVRUUEOT-UHFFFAOYSA-N 1 0 300.428 1.089 10 0 DDAERO CC(C)(C)OC[C@@H](O)C[NH2+]C(C)(C)C(=O)NCC1CCCC1 ZINC000155059108 290685457 /nfs/dbraw/zinc/68/54/57/290685457.db2.gz QJHHKUIWTYIWKY-AWEZNQCLSA-N 1 0 314.470 1.837 10 0 DDAERO CCn1cnc(S(=O)(=O)N(CC[NH3+])C2CCCCC2)c1 ZINC000092910885 185348548 /nfs/dbraw/zinc/34/85/48/185348548.db2.gz NJWDVSUIWPFOAQ-UHFFFAOYSA-N 1 0 300.428 1.185 10 0 DDAERO CC(C)(C)CNC(=O)C(C)(C)[NH2+]C[C@H](O)COC(C)(C)C ZINC000155376121 290693033 /nfs/dbraw/zinc/69/30/33/290693033.db2.gz GDTMMICFVLFDRL-LBPRGKRZSA-N 1 0 302.459 1.693 10 0 DDAERO Cc1cc(F)cc(C)c1S(=O)(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000229383954 201833683 /nfs/dbraw/zinc/83/36/83/201833683.db2.gz OEQUHLPKDUKKAR-NEPJUHHUSA-N 1 0 300.399 1.800 10 0 DDAERO CN(c1cccc(Cl)c1CC[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000111480499 185607727 /nfs/dbraw/zinc/60/77/27/185607727.db2.gz NHIMBYUOQNNJKF-JTQLQIEISA-N 1 0 302.827 1.465 10 0 DDAERO CCC[NH2+][C@H](C)[C@@H]1CCCCN1S(=O)(=O)N1CCCC1 ZINC000111715798 185630406 /nfs/dbraw/zinc/63/04/06/185630406.db2.gz IPVPRRBTWKXIFF-KGLIPLIRSA-N 1 0 303.472 1.570 10 0 DDAERO O=S(=O)(c1ccccc1F)N1CCC(C[NH2+]C2CC2)CC1 ZINC000111719043 185630817 /nfs/dbraw/zinc/63/08/17/185630817.db2.gz CYNINXFAQYMFAH-UHFFFAOYSA-N 1 0 312.410 1.978 10 0 DDAERO CS(=O)(=O)c1ccccc1NCCOC1CCC([NH3+])CC1 ZINC000111792877 185637557 /nfs/dbraw/zinc/63/75/57/185637557.db2.gz LNXKLNLQVUTIOR-UHFFFAOYSA-N 1 0 312.435 1.789 10 0 DDAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@H]1c1ccccn1 ZINC000616635684 362764034 /nfs/dbraw/zinc/76/40/34/362764034.db2.gz KAVZRCAHPDECFM-AWEZNQCLSA-N 1 0 306.410 1.553 10 0 DDAERO CCOC(=O)N1CC[NH2+]C[C@@H]1CCNC(=O)OC(C)(C)C ZINC000616635461 362764915 /nfs/dbraw/zinc/76/49/15/362764915.db2.gz DYCNMOVOZQYIPZ-NSHDSACASA-N 1 0 301.387 1.332 10 0 DDAERO CCn1nncc1C[NH2+]C[C@@H]1CCCO[C@H]1c1nccn1C ZINC000623330699 365821449 /nfs/dbraw/zinc/82/14/49/365821449.db2.gz BKPPBTHFMXWNBK-GXTWGEPZSA-N 1 0 304.398 1.289 10 0 DDAERO C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)C[C@]2(CCOC2)O1 ZINC000342102085 282543835 /nfs/dbraw/zinc/54/38/35/282543835.db2.gz SUDQWOWWHIOOEC-KQTLUZQSSA-N 1 0 311.426 1.059 10 0 DDAERO CC[C@H](C[NH3+])NC(=O)c1ccccc1I ZINC000083565898 192373609 /nfs/dbraw/zinc/37/36/09/192373609.db2.gz MGJDXXPLTLNNGY-MRVPVSSYSA-N 1 0 318.158 1.758 10 0 DDAERO CCC[NH2+][C@@](C)(C[C@H](C)n1cc(Br)cn1)C(N)=O ZINC000084363903 192425479 /nfs/dbraw/zinc/42/54/79/192425479.db2.gz ZQGSXMCHPFTBSK-CABZTGNLSA-N 1 0 317.231 1.840 10 0 DDAERO C[NH+](C)C[C@]1(O)CCCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000072129268 191043714 /nfs/dbraw/zinc/04/37/14/191043714.db2.gz JLGJVGLULIOZDU-INIZCTEOSA-N 1 0 310.442 1.646 10 0 DDAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccncc1Br ZINC000152616017 186090192 /nfs/dbraw/zinc/09/01/92/186090192.db2.gz QMOXPEVHCYHNLD-SNVBAGLBSA-N 1 0 312.211 1.868 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(C(N)=O)c1 ZINC000173333075 186177778 /nfs/dbraw/zinc/17/77/78/186177778.db2.gz TTYODWCBIVUHSL-LSDHHAIUSA-N 1 0 316.405 1.876 10 0 DDAERO COc1cccc(CCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171900357 198003979 /nfs/dbraw/zinc/00/39/79/198003979.db2.gz MIVBLROPGOGKHY-OAHLLOKOSA-N 1 0 303.406 1.727 10 0 DDAERO Cc1cccc2nc(CNC(=O)N3CC[N@@H+]4CCC[C@H]4C3)cn21 ZINC000171908237 198005874 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XZXYLGACRKPOTD-DGCLKSJQSA-N 1 0 310.419 1.712 10 0 DDAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(OCC(F)F)nc3)C[C@@H]12 ZINC000186919824 200031786 /nfs/dbraw/zinc/03/17/86/200031786.db2.gz WUDQKKBGTHSEMH-QJPTWQEYSA-N 1 0 311.332 1.535 10 0 DDAERO O=C(NCCN1CC[NH2+]CC1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000237879315 202377980 /nfs/dbraw/zinc/37/79/80/202377980.db2.gz FZWJASVSLRPHQG-LSDHHAIUSA-N 1 0 307.825 1.465 10 0 DDAERO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1cc(F)c(F)cc1F ZINC000193447831 201053474 /nfs/dbraw/zinc/05/34/74/201053474.db2.gz YXSJKVOFEPFMAZ-HQJQHLMTSA-N 1 0 308.325 1.523 10 0 DDAERO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1ccccc1OC(F)F ZINC000193462851 201054616 /nfs/dbraw/zinc/05/46/16/201054616.db2.gz GXEOPRXOIQNDJU-NXEZZACHSA-N 1 0 320.361 1.707 10 0 DDAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc(NC(=O)NC2CC2)c1 ZINC000193511435 201065597 /nfs/dbraw/zinc/06/55/97/201065597.db2.gz DZJDSJSSTAMYER-IAQYHMDHSA-N 1 0 316.405 1.841 10 0 DDAERO C[C@H](CC(=O)N[C@H]1CCC[NH2+][C@H]1C)NC(=O)C1CCCCC1 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Nc1ccccc1C[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000090962432 192964963 /nfs/dbraw/zinc/96/49/63/192964963.db2.gz ANMPMLVGMODRML-UHFFFAOYSA-N 1 0 305.403 1.249 10 0 DDAERO CCC(CC)CN(CC(=O)OC)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091136287 193002458 /nfs/dbraw/zinc/00/24/58/193002458.db2.gz UIGCQMLCEIYWHP-CYBMUJFWSA-N 1 0 316.467 1.519 10 0 DDAERO CNC(=O)C[C@@H](C[NH3+])N(C)Cc1ccc(Br)cc1 ZINC000091315135 193038052 /nfs/dbraw/zinc/03/80/52/193038052.db2.gz PAVQXDVBTIREMF-LBPRGKRZSA-N 1 0 314.227 1.344 10 0 DDAERO CC(C)[NH2+][C@@](CSC[C@@H](C)CO)(C(N)=O)c1ccccc1 ZINC000091258882 193027559 /nfs/dbraw/zinc/02/75/59/193027559.db2.gz DLQHBHLOYLFSDH-XJKSGUPXSA-N 1 0 310.463 1.727 10 0 DDAERO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2N)C1 ZINC000091393888 193051236 /nfs/dbraw/zinc/05/12/36/193051236.db2.gz VBVLMZFXVKXNSM-LLVKDONJSA-N 1 0 301.387 1.123 10 0 DDAERO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cnc(N)c(Cl)c2)C1 ZINC000091432431 193055228 /nfs/dbraw/zinc/05/52/28/193055228.db2.gz YZJIILGFTDCAKX-VIFPVBQESA-N 1 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SJJVMYDKLFVKDO-CABZTGNLSA-N 1 0 302.371 1.240 10 0 DDAERO CC(C)c1nnc(CN(C)CC(C)(C)C[NH+]2CCOCC2)n1C ZINC000178936640 306689997 /nfs/dbraw/zinc/68/99/97/306689997.db2.gz BJAJHSLZLWWUHM-UHFFFAOYSA-N 1 0 323.485 1.729 10 0 DDAERO COc1ccccc1-c1cc2c(N3CC[C@H]([NH3+])C3)nccn2n1 ZINC000070459324 406818206 /nfs/dbraw/zinc/81/82/06/406818206.db2.gz NFBKSGLTGTVXIK-LBPRGKRZSA-N 1 0 309.373 1.942 10 0 DDAERO COCCc1noc(-c2ccc(N3CCC([NH3+])CC3)nc2)n1 ZINC000070457787 406817168 /nfs/dbraw/zinc/81/71/68/406817168.db2.gz XLRGNSBKTDPGFW-UHFFFAOYSA-N 1 0 303.366 1.248 10 0 DDAERO CCCC[NH+]1CCC(NC(=O)[C@@H](C)NC(=O)c2ccco2)CC1 ZINC000072046057 406873009 /nfs/dbraw/zinc/87/30/09/406873009.db2.gz PHYUGXUDSRZBIA-CYBMUJFWSA-N 1 0 321.421 1.779 10 0 DDAERO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CC(C)(C)O)C1 ZINC000075862443 406944869 /nfs/dbraw/zinc/94/48/69/406944869.db2.gz FHLHEECPYYBKAK-LLVKDONJSA-N 1 0 310.360 1.880 10 0 DDAERO CCCCOC[C@@H](O)C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000033869896 406962694 /nfs/dbraw/zinc/96/26/94/406962694.db2.gz ZPDXIAHVHHWEEG-KRWDZBQOSA-N 1 0 307.438 1.377 10 0 DDAERO CNC(=O)C1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000078344673 407025445 /nfs/dbraw/zinc/02/54/45/407025445.db2.gz ZIRKMYAGDLPQQO-INIZCTEOSA-N 1 0 306.406 1.022 10 0 DDAERO Cc1ccc(N2CCC[N@@H+]([C@@H](C)CN3CCOCC3)CC2)nn1 ZINC000091556878 407181700 /nfs/dbraw/zinc/18/17/00/407181700.db2.gz OPTDBJMZRIDLGV-INIZCTEOSA-N 1 0 319.453 1.018 10 0 DDAERO CC(=O)N1CCC(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000123073147 407318380 /nfs/dbraw/zinc/31/83/80/407318380.db2.gz FYMGSNPBNDEOAL-WFASDCNBSA-N 1 0 310.442 1.025 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(Cc2c[nH]nc2-c2ccc(C)o2)CC1 ZINC000123489094 407330079 /nfs/dbraw/zinc/33/00/79/407330079.db2.gz MIFJPFDWUKLXBF-HNNXBMFYSA-N 1 0 318.421 1.867 10 0 DDAERO COC[C@H](C)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000103433625 407338718 /nfs/dbraw/zinc/33/87/18/407338718.db2.gz KTYFTXNYYMORRB-JYJNAYRXSA-N 1 0 311.470 1.286 10 0 DDAERO COC[C@H](C)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000103385931 407337656 /nfs/dbraw/zinc/33/76/56/407337656.db2.gz NWWPZFOWPGCBQN-AWEZNQCLSA-N 1 0 305.422 1.655 10 0 DDAERO COc1ccc(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cn1 ZINC000106903076 407365540 /nfs/dbraw/zinc/36/55/40/407365540.db2.gz SJSHOESZWYIMON-INIZCTEOSA-N 1 0 313.401 1.879 10 0 DDAERO COc1cccc(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)n1 ZINC000106913453 407366361 /nfs/dbraw/zinc/36/63/61/407366361.db2.gz HOEPMGQJRAGRLY-INIZCTEOSA-N 1 0 313.401 1.879 10 0 DDAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc(N)ccc1F ZINC000124785355 407369765 /nfs/dbraw/zinc/36/97/65/407369765.db2.gz NLVRGMSCXSSHPB-CQSZACIVSA-N 1 0 322.384 1.289 10 0 DDAERO C[N@H+](CC(=O)NCC1CCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000108867218 407391492 /nfs/dbraw/zinc/39/14/92/407391492.db2.gz MBQDXCOBRBHXSE-HNNXBMFYSA-N 1 0 317.437 1.294 10 0 DDAERO COCC[N@H+](C)CCNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109097591 407395205 /nfs/dbraw/zinc/39/52/05/407395205.db2.gz AUIXZMBHCCZQIN-OLZOCXBDSA-N 1 0 312.360 1.763 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)Cc2cc(F)c(F)cc2F)CCO1 ZINC000126356345 407411301 /nfs/dbraw/zinc/41/13/01/407411301.db2.gz UKNJZDRJXXZEEZ-NSHDSACASA-N 1 0 316.323 1.435 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)Cc2cc(F)c(F)cc2F)CCO1 ZINC000126356073 407411569 /nfs/dbraw/zinc/41/15/69/407411569.db2.gz UKNJZDRJXXZEEZ-LLVKDONJSA-N 1 0 316.323 1.435 10 0 DDAERO CNC(=O)[C@@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000111635632 407412939 /nfs/dbraw/zinc/41/29/39/407412939.db2.gz SVORQXVOXNZCGE-HZPDHXFCSA-N 1 0 317.433 1.144 10 0 DDAERO CCCC[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)Nc1cc(C)on1 ZINC000112548642 407432190 /nfs/dbraw/zinc/43/21/90/407432190.db2.gz LSZWOXSSQKHWGC-UONOGXRCSA-N 1 0 324.425 1.401 10 0 DDAERO COc1ccc(C)cc1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000195252691 407444981 /nfs/dbraw/zinc/44/49/81/407444981.db2.gz JGGDKMJBJKMGIY-KBPBESRZSA-N 1 0 324.446 1.861 10 0 DDAERO O=C(Cc1cc2ccccc2[nH]c1=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195332702 407452762 /nfs/dbraw/zinc/45/27/62/407452762.db2.gz VONBZMRSXSLRFI-HNNXBMFYSA-N 1 0 311.385 1.377 10 0 DDAERO CN(C)c1cn[nH+]c(N2CCN(C(=O)c3cccs3)CC2)c1 ZINC000224309010 407575475 /nfs/dbraw/zinc/57/54/75/407575475.db2.gz JRYWXOTZQFPGHK-UHFFFAOYSA-N 1 0 317.418 1.567 10 0 DDAERO COc1cc(CCC(=O)N2CC[C@H]([NH+](C)C)C2)cc(OC)c1 ZINC000170858554 407531199 /nfs/dbraw/zinc/53/11/99/407531199.db2.gz UAXZJFRJHWMYRO-AWEZNQCLSA-N 1 0 306.406 1.799 10 0 DDAERO C[C@@H]([NH3+])CCNC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1 ZINC000178680272 407543539 /nfs/dbraw/zinc/54/35/39/407543539.db2.gz BRRHHAKJKKNJOW-GFCCVEGCSA-N 1 0 305.422 1.930 10 0 DDAERO C[C@@H]([NH2+]CC(=O)NC(=O)NCC(F)(F)F)c1cccs1 ZINC000171112439 407601781 /nfs/dbraw/zinc/60/17/81/407601781.db2.gz XGHVWENNRCWRSB-SSDOTTSWSA-N 1 0 309.313 1.787 10 0 DDAERO CCn1cnnc1[C@@H]1CCCN(C(=O)C[N@H+](CC)C2CC2)C1 ZINC000152332565 407612480 /nfs/dbraw/zinc/61/24/80/407612480.db2.gz PZBPKIYPUSPPJG-CYBMUJFWSA-N 1 0 305.426 1.488 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)N2CCOCC2)C12CCOCC2 ZINC000186226084 407612863 /nfs/dbraw/zinc/61/28/63/407612863.db2.gz IUHQMFVJTYTNMD-BZUAXINKSA-N 1 0 312.454 1.271 10 0 DDAERO C[NH+](C)C[C@@H](NC(=O)NCCn1cccn1)c1ccccc1 ZINC000114917697 407635164 /nfs/dbraw/zinc/63/51/64/407635164.db2.gz GSULYVLYPMCNJW-OAHLLOKOSA-N 1 0 301.394 1.485 10 0 DDAERO CCc1nc2n(n1)C[C@H](NC(=O)NC[C@H](C)[NH+](CC)CC)CC2 ZINC000114926866 407637956 /nfs/dbraw/zinc/63/79/56/407637956.db2.gz GJGRUAIXGPSDOL-QWHCGFSZSA-N 1 0 322.457 1.185 10 0 DDAERO CN1CCO[C@@H](CNC(=O)c2ccn(-c3ccc(F)cc3)n2)C1 ZINC000171287772 407650091 /nfs/dbraw/zinc/65/00/91/407650091.db2.gz BPNCNAUMELNPBP-AWEZNQCLSA-N 1 0 318.352 1.072 10 0 DDAERO Cc1cccc(NC(=O)CN(C)C(=O)C2([NH3+])CCOCC2)c1C ZINC000261869740 407651522 /nfs/dbraw/zinc/65/15/22/407651522.db2.gz OALYFKFLWOECQA-UHFFFAOYSA-N 1 0 319.405 1.208 10 0 DDAERO C[C@@H]([NH3+])CCNS(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000178912988 407652303 /nfs/dbraw/zinc/65/23/03/407652303.db2.gz NDAMGUPPPYQMJK-SNVBAGLBSA-N 1 0 312.370 1.027 10 0 DDAERO c1csc(Cc2noc(-c3ncn([C@@H]4CCC[NH2+]C4)n3)n2)c1 ZINC000261880673 407653373 /nfs/dbraw/zinc/65/33/73/407653373.db2.gz WGCXSRZRNQJIIN-SNVBAGLBSA-N 1 0 316.390 1.905 10 0 DDAERO CCCN(CC[NH+](CC)CC)C(=O)NC[C@H]1CN(C)CCO1 ZINC000152560478 407654208 /nfs/dbraw/zinc/65/42/08/407654208.db2.gz KKBKBGVGGTZLMS-HNNXBMFYSA-N 1 0 314.474 1.080 10 0 DDAERO C[C@H](CNC(=O)c1cccc(Cl)c1F)N1CCOCC1 ZINC000130116600 407656418 /nfs/dbraw/zinc/65/64/18/407656418.db2.gz REULTGSNXWUBOE-SNVBAGLBSA-N 1 0 300.761 1.930 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)CNC(=O)CCC2CCCC2)C1 ZINC000171088066 407593954 /nfs/dbraw/zinc/59/39/54/407593954.db2.gz TZDHICLWLSPVMJ-HNNXBMFYSA-N 1 0 309.454 1.674 10 0 DDAERO [NH3+]C1(C(=O)NCc2cn3cc(Cl)ccc3n2)CCOCC1 ZINC000261928656 407676380 /nfs/dbraw/zinc/67/63/80/407676380.db2.gz VZSUWWVMXBNCIX-UHFFFAOYSA-N 1 0 308.769 1.112 10 0 DDAERO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000261932206 407679710 /nfs/dbraw/zinc/67/97/10/407679710.db2.gz LUDKWNFEVNGUJU-KSZLIROESA-N 1 0 317.433 1.892 10 0 DDAERO [NH3+][C@H](C(=O)Nc1ccc2c(c1)NC(=O)CC2)C1CCOCC1 ZINC000261949016 407685822 /nfs/dbraw/zinc/68/58/22/407685822.db2.gz JXVJSHSMRPUJIY-HNNXBMFYSA-N 1 0 303.362 1.264 10 0 DDAERO [NH3+][C@@H](C(=O)Nc1ccc2c(c1)NC(=O)CC2)C1CCOCC1 ZINC000261949017 407685958 /nfs/dbraw/zinc/68/59/58/407685958.db2.gz JXVJSHSMRPUJIY-OAHLLOKOSA-N 1 0 303.362 1.264 10 0 DDAERO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)N1CCC[C@@H](C)C1 ZINC000261965899 407694316 /nfs/dbraw/zinc/69/43/16/407694316.db2.gz PZJNXKNCVXDKTE-SFFUCWETSA-N 1 0 309.498 1.854 10 0 DDAERO C(N[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1nnc2n1CCCCC2 ZINC000262017775 407715503 /nfs/dbraw/zinc/71/55/03/407715503.db2.gz WHRKEKWKBXZUPJ-ZNMIVQPWSA-N 1 0 319.453 1.251 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000262038643 407719835 /nfs/dbraw/zinc/71/98/35/407719835.db2.gz FXYAUCZEDOBENV-IUODEOHRSA-N 1 0 308.378 1.245 10 0 DDAERO Cc1nn(C)c(OCC(F)(F)F)c1CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000262034561 407720338 /nfs/dbraw/zinc/72/03/38/407720338.db2.gz OLFHMWYWMAYMRL-KCJUWKMLSA-N 1 0 306.332 1.449 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CCOc3ccc(F)cc32)C1 ZINC000171763187 407761948 /nfs/dbraw/zinc/76/19/48/407761948.db2.gz WVXNDTBLBCDWBD-GXTWGEPZSA-N 1 0 307.369 1.995 10 0 DDAERO O=C(CCCCN1CCOCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000171767362 407764142 /nfs/dbraw/zinc/76/41/42/407764142.db2.gz UVKIFFJRXHIHNV-INIZCTEOSA-N 1 0 309.454 1.186 10 0 DDAERO CN(C)[C@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000116787416 407775952 /nfs/dbraw/zinc/77/59/52/407775952.db2.gz QBCQFWYEVOMQKG-CVEARBPZSA-N 1 0 305.422 1.078 10 0 DDAERO COc1ccccc1CCC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116796516 407781194 /nfs/dbraw/zinc/78/11/94/407781194.db2.gz CKBJAVOMHLYTJH-HNNXBMFYSA-N 1 0 306.406 1.417 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCOc3ccccc32)CCO1 ZINC000116792770 407781241 /nfs/dbraw/zinc/78/12/41/407781241.db2.gz WYJUUTBPQMMQIQ-HIFRSBDPSA-N 1 0 304.390 1.342 10 0 DDAERO CCN(CC(=O)Nc1c(C)cccc1C)C(=O)[C@H]([NH3+])COC ZINC000262288152 407783804 /nfs/dbraw/zinc/78/38/04/407783804.db2.gz MPYLWQDIZDXLNQ-CYBMUJFWSA-N 1 0 307.394 1.064 10 0 DDAERO COC(=O)C1CCC(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000179490878 407794669 /nfs/dbraw/zinc/79/46/69/407794669.db2.gz KDTQESAZPSVEGS-YMAMQOFZSA-N 1 0 308.422 1.663 10 0 DDAERO Cc1ccc(F)cc1S(=O)(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116900674 407795441 /nfs/dbraw/zinc/79/54/41/407795441.db2.gz FQOHYYPJUCQMMS-ZDUSSCGKSA-N 1 0 316.398 1.085 10 0 DDAERO CCCNC(=O)c1cccc(NC(=O)C2([NH3+])CCOCC2)c1 ZINC000262329912 407799147 /nfs/dbraw/zinc/79/91/47/407799147.db2.gz SHTSRLNXLVSRNB-UHFFFAOYSA-N 1 0 305.378 1.273 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)NCCc2ccccc2F)CCO1 ZINC000117026448 407805776 /nfs/dbraw/zinc/80/57/76/407805776.db2.gz QBZMLRYHAPMUGK-CQSZACIVSA-N 1 0 309.385 1.340 10 0 DDAERO COC[C@H]([NH3+])C(=O)N(C)Cc1cc(Br)ccc1F ZINC000262362001 407810811 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CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCNC(=O)C(F)(F)F ZINC000180844873 407925037 /nfs/dbraw/zinc/92/50/37/407925037.db2.gz AVMHXGUJOWVKQY-NWDGAFQWSA-N 1 0 307.360 1.614 10 0 DDAERO CCCCCN(CCO)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262778430 407927217 /nfs/dbraw/zinc/92/72/17/407927217.db2.gz NAESILVDERLZHZ-CQSZACIVSA-N 1 0 308.426 1.432 10 0 DDAERO CN(C)c1ccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000118787780 407944534 /nfs/dbraw/zinc/94/45/34/407944534.db2.gz YTMSCSSYTWLACF-HNNXBMFYSA-N 1 0 306.410 1.547 10 0 DDAERO C[C@@H]1Oc2ccccc2O[C@@H]1c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263142257 408036796 /nfs/dbraw/zinc/03/67/96/408036796.db2.gz CJUKIGGAOFPBGM-WDMOLILDSA-N 1 0 316.361 1.547 10 0 DDAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cc(F)cc3nccnc32)n1 ZINC000263146542 408037147 /nfs/dbraw/zinc/03/71/47/408037147.db2.gz CRXXOEZZNDPYSM-GFCCVEGCSA-N 1 0 314.324 1.395 10 0 DDAERO CC(C)C(=O)NCCCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000245690101 408042123 /nfs/dbraw/zinc/04/21/23/408042123.db2.gz 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O=C(C[N@@H+]1CC[C@@H](CNc2ccccn2)C1)NC1CCCC1 ZINC000195515695 163326464 /nfs/dbraw/zinc/32/64/64/163326464.db2.gz YBIGTKBKSYWZJP-AWEZNQCLSA-N 1 0 302.422 1.874 10 0 DDAERO CC(=O)NCc1ccc(C(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])s1 ZINC000261757838 163697998 /nfs/dbraw/zinc/69/79/98/163697998.db2.gz JMEAYOQBZWJSSL-CMPLNLGQSA-N 1 0 309.435 1.584 10 0 DDAERO Cc1cccc(F)c1S(=O)(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261784781 163702578 /nfs/dbraw/zinc/70/25/78/163702578.db2.gz NEHMFAMFVNGRNO-GFCCVEGCSA-N 1 0 300.399 1.882 10 0 DDAERO CC1(C)CN(C(=O)c2cccc3c2OCC(=O)N3)CC[C@@H]1[NH3+] ZINC000261837673 163712901 /nfs/dbraw/zinc/71/29/01/163712901.db2.gz INBIDABNDZPOKP-LBPRGKRZSA-N 1 0 303.362 1.217 10 0 DDAERO c1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc2c1OCC2 ZINC000261845206 163714169 /nfs/dbraw/zinc/71/41/69/163714169.db2.gz AREDJMYCEGVWBX-KZNAEPCWSA-N 1 0 316.445 1.911 10 0 DDAERO C[C@H]([NH3+])C1CCN(c2ccc(S(C)(=O)=O)cc2F)CC1 ZINC000261875006 163720344 /nfs/dbraw/zinc/72/03/44/163720344.db2.gz ZNAKZRLWZOWLDY-JTQLQIEISA-N 1 0 300.399 1.793 10 0 DDAERO CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000262042850 163755637 /nfs/dbraw/zinc/75/56/37/163755637.db2.gz GMWJUZVNUMIANE-DOMZBBRYSA-N 1 0 304.390 1.133 10 0 DDAERO [NH3+]CC1(C(=O)Nc2nnc(CC(F)(F)F)s2)CCOCC1 ZINC000262154084 163777019 /nfs/dbraw/zinc/77/70/19/163777019.db2.gz HWYDBLZSACBYQX-UHFFFAOYSA-N 1 0 324.328 1.337 10 0 DDAERO Cc1nc(CN(C)C(=O)C2(n3cccn3)CC[NH2+]CC2)cs1 ZINC000262213933 163787057 /nfs/dbraw/zinc/78/70/57/163787057.db2.gz IYGGKVBRBXRJKG-UHFFFAOYSA-N 1 0 319.434 1.385 10 0 DDAERO O=C(NCC1(c2ccccc2Br)CC1)C1C[NH2+]C1 ZINC000262253420 163793819 /nfs/dbraw/zinc/79/38/19/163793819.db2.gz PWJPRPUACBSANO-UHFFFAOYSA-N 1 0 309.207 1.816 10 0 DDAERO Cc1ccc(Cl)c(O[C@H](C)C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262258626 163794805 /nfs/dbraw/zinc/79/48/05/163794805.db2.gz MAHIQHYTHZJZTO-WZRBSPASSA-N 1 0 312.797 1.112 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)C1(c2cccs2)CCCCC1 ZINC000262364849 163815108 /nfs/dbraw/zinc/81/51/08/163815108.db2.gz VOHBMRMTCGBSFK-QWHCGFSZSA-N 1 0 308.447 1.647 10 0 DDAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1ccc(OCC(F)(F)F)cc1 ZINC000263161355 163923776 /nfs/dbraw/zinc/92/37/76/163923776.db2.gz DVHPLXZTDGZGQS-AAEUAGOBSA-N 1 0 304.312 1.298 10 0 DDAERO COc1nccc(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)n1 ZINC000295174441 409356234 /nfs/dbraw/zinc/35/62/34/409356234.db2.gz LXSSWNYXYVTWOZ-LLVKDONJSA-N 1 0 310.398 1.878 10 0 DDAERO Cc1ccccc1C[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000344904147 409549789 /nfs/dbraw/zinc/54/97/89/409549789.db2.gz YPJVQCKTHVGOFO-SFHVURJKSA-N 1 0 302.418 1.944 10 0 DDAERO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Cn1cc(C[NH3+])nn1 ZINC000303431609 409550282 /nfs/dbraw/zinc/55/02/82/409550282.db2.gz ZEVKIHQGKVUMSP-ZDUSSCGKSA-N 1 0 313.405 1.564 10 0 DDAERO [NH3+][C@H]1CCCO[C@@H]1c1ncc(I)s1 ZINC000306463506 409772909 /nfs/dbraw/zinc/77/29/09/409772909.db2.gz HMYQAXIVDFCAOV-FSPLSTOPSA-N 1 0 310.160 1.927 10 0 DDAERO COC(=O)c1cccc(CCNC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000131048319 196135692 /nfs/dbraw/zinc/13/56/92/196135692.db2.gz UYMNCRIMCLFQSX-HNNXBMFYSA-N 1 0 319.405 1.361 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1nn2c(nccc2=O)s1 ZINC000131412707 196166855 /nfs/dbraw/zinc/16/68/55/196166855.db2.gz JLGVXHBOEVHWKT-LLVKDONJSA-N 1 0 307.423 1.683 10 0 DDAERO C[NH+](C)C[C@H](NC(=O)NCCCn1ccnc1)c1ccccc1 ZINC000047597373 418459024 /nfs/dbraw/zinc/45/90/24/418459024.db2.gz KSQHWKBLOAIIQY-INIZCTEOSA-N 1 0 315.421 1.875 10 0 DDAERO CC(C)([NH3+])c1cn(CC(=O)NCc2ccc(Cl)cc2)nn1 ZINC000070118791 418488557 /nfs/dbraw/zinc/48/85/57/418488557.db2.gz WMEBBNPUDPNNIS-UHFFFAOYSA-N 1 0 307.785 1.442 10 0 DDAERO CCOC(=O)C1CCC(O)(C[N@@H+]2CCC[C@@H](COC)C2)CC1 ZINC000190890093 222091146 /nfs/dbraw/zinc/09/11/46/222091146.db2.gz ZHOUJJCWBQIONG-HPUBIQBYSA-N 1 0 313.438 1.829 10 0 DDAERO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CNC(=O)C1 ZINC000194861155 222185341 /nfs/dbraw/zinc/18/53/41/222185341.db2.gz GWPWEZZQQFOCIQ-OAHLLOKOSA-N 1 0 303.406 1.281 10 0 DDAERO CCCCOC[C@@H](O)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000195181632 222193376 /nfs/dbraw/zinc/19/33/76/222193376.db2.gz HJBIJBOJNFMWTD-KBPBESRZSA-N 1 0 301.427 1.828 10 0 DDAERO O=C(COCCOc1ccccc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195335791 222199891 /nfs/dbraw/zinc/19/98/91/222199891.db2.gz FVOTZOHTXDPFBH-HNNXBMFYSA-N 1 0 304.390 1.389 10 0 DDAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCCCCOCc2ccccc2)C1 ZINC000390751490 418754826 /nfs/dbraw/zinc/75/48/26/418754826.db2.gz SPTDPBSJURXHAX-HZPDHXFCSA-N 1 0 306.406 1.477 10 0 DDAERO NC(=O)CCN(Cc1ccccc1)C(=O)C1CCC([NH3+])CC1 ZINC000390753810 418754849 /nfs/dbraw/zinc/75/48/49/418754849.db2.gz FRNJTVWLHNJKOL-UHFFFAOYSA-N 1 0 303.406 1.408 10 0 DDAERO C[C@H]1CN(C(=O)COc2ccc(Br)cc2)C[C@@H]1[NH3+] ZINC000423947582 227819677 /nfs/dbraw/zinc/81/96/77/227819677.db2.gz JFGRGRHIQXZPMC-CABZTGNLSA-N 1 0 313.195 1.634 10 0 DDAERO COc1nc(NCC2([NH3+])CCOCC2)ncc1Br ZINC000630524269 422153947 /nfs/dbraw/zinc/15/39/47/422153947.db2.gz JQVOFFFTIMDBFS-UHFFFAOYSA-N 1 0 317.187 1.168 10 0 DDAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCC[C@H]1CCCO1 ZINC000637903578 422463170 /nfs/dbraw/zinc/46/31/70/422463170.db2.gz QNYUQJSHMKHDSS-CVEARBPZSA-N 1 0 305.422 1.131 10 0 DDAERO C[C@@H](COCc1ccccc1)NC(=O)c1cnc(C[NH3+])nc1 ZINC000638021027 422563640 /nfs/dbraw/zinc/56/36/40/422563640.db2.gz KWPNSIJLIVEYPW-LBPRGKRZSA-N 1 0 300.362 1.270 10 0 DDAERO CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643620706 423215952 /nfs/dbraw/zinc/21/59/52/423215952.db2.gz JFTIXHIKFUIPKJ-JTQLQIEISA-N 1 0 302.827 1.986 10 0 DDAERO [NH3+][C@@H]1CCCCN(Cc2nc(CCc3ccccc3)no2)C1=O ZINC000644511782 423679128 /nfs/dbraw/zinc/67/91/28/423679128.db2.gz VOSCJMHHOTWGGE-CQSZACIVSA-N 1 0 314.389 1.695 10 0 DDAERO C[C@@H]1CN(C(=O)Cc2ccc(Br)cc2F)C[C@@H]1[NH3+] ZINC000662570911 424701537 /nfs/dbraw/zinc/70/15/37/424701537.db2.gz BTJNPHFBCJLPJL-PELKAZGASA-N 1 0 315.186 1.936 10 0 DDAERO Cc1noc([C@@H]2CCCN(C(=O)N[C@@H]3CC[C@@H]([NH+](C)C)C3)C2)n1 ZINC000341602024 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PRFANMLLXSEFIT-UONOGXRCSA-N 1 0 324.425 1.046 10 0 DDAERO Cc1nn(C)cc1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000705675353 699241877 /nfs/dbraw/zinc/24/18/77/699241877.db2.gz PRFANMLLXSEFIT-ZIAGYGMSSA-N 1 0 324.425 1.046 10 0 DDAERO COC[C@H](C[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)OC ZINC000711441438 699258342 /nfs/dbraw/zinc/25/83/42/699258342.db2.gz WVDHYBOEQILUCZ-BPCQOVAHSA-N 1 0 302.415 1.541 10 0 DDAERO CO[C@@H]1CN(Cc2cn(C)nc2Br)[C@](C)(C[NH3+])C1 ZINC000714084828 699269941 /nfs/dbraw/zinc/26/99/41/699269941.db2.gz GFSASHADAHRTLX-JQWIXIFHSA-N 1 0 317.231 1.121 10 0 DDAERO CN1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](O)COCc1ccccc1 ZINC000720388012 699305580 /nfs/dbraw/zinc/30/55/80/699305580.db2.gz AFAHZAPLMAXEAV-KZNAEPCWSA-N 1 0 304.434 1.733 10 0 DDAERO O[C@@]1(Cc2nc(C3CC3)no2)CCC[N@H+](CCc2cn[nH]c2)C1 ZINC000818252360 702617445 /nfs/dbraw/zinc/61/74/45/702617445.db2.gz RPBIDUBEWJRSRV-MRXNPFEDSA-N 1 0 317.393 1.282 10 0 DDAERO Clc1cnccc1NCc1cc(O[C@H]2CC[NH2+]C2)ccn1 ZINC000818626605 703945995 /nfs/dbraw/zinc/94/59/95/703945995.db2.gz CJENHGJYOFUBNS-ZDUSSCGKSA-N 1 0 304.781 1.905 10 0 DDAERO Cc1cccc(CC[N@H+]2CCC[C@@](O)(CC(=O)N(C)C)C2)c1 ZINC000886088836 708696133 /nfs/dbraw/zinc/69/61/33/708696133.db2.gz NFFJIWZSMNFNHE-GOSISDBHSA-N 1 0 304.434 1.843 10 0 DDAERO Cc1cnn([C@H]2[C@H](O)C[C@@H]2[NH2+]Cc2cnc(C(C)(C)C)nc2)c1 ZINC000888077116 709209677 /nfs/dbraw/zinc/20/96/77/709209677.db2.gz KVHWMYAFZGPABG-RRFJBIMHSA-N 1 0 315.421 1.743 10 0 DDAERO Cc1c([C@H]2C[N@H+](C/C=C\c3ccccc3)C[C@@H]2C(N)=O)cnn1C ZINC000888078678 709210298 /nfs/dbraw/zinc/21/02/98/709210298.db2.gz LIJROAZDAQFFLD-UVFSVYEVSA-N 1 0 324.428 1.943 10 0 DDAERO CC1(C)NC(=O)CC[C@@H]1[NH2+][C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894279326 711049452 /nfs/dbraw/zinc/04/94/52/711049452.db2.gz NYHBUEWBOOQOIS-WOPDTQHZSA-N 1 0 300.374 1.267 10 0 DDAERO Cc1n[nH]nc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000074703047 185010395 /nfs/dbraw/zinc/01/03/95/185010395.db2.gz MVTJUUBWZROKIF-UHFFFAOYSA-N 1 0 300.366 1.117 10 0 DDAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000248649495 282096051 /nfs/dbraw/zinc/09/60/51/282096051.db2.gz LFACXZWPMGEYQD-CVEARBPZSA-N 1 0 312.454 1.402 10 0 DDAERO Cc1cccnc1/C=C/C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248750645 282106248 /nfs/dbraw/zinc/10/62/48/282106248.db2.gz UKXUDDWUYJNULP-CNBITHIKSA-N 1 0 303.406 1.317 10 0 DDAERO CCn1c(=O)[nH]nc1SC[C@@H]([NH2+]C)c1ccc(OC)cc1 ZINC000081879670 192334744 /nfs/dbraw/zinc/33/47/44/192334744.db2.gz DHLVCDAEYWLEMN-GFCCVEGCSA-N 1 0 308.407 1.653 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)CCc2ccc3[nH]ccc3c2)CCO1 ZINC000180862555 282123013 /nfs/dbraw/zinc/12/30/13/282123013.db2.gz RVJDDFPWIQZBEF-MRXNPFEDSA-N 1 0 315.417 1.890 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)CS(=O)(=O)CC)C12CCOCC2 ZINC000249011399 282127160 /nfs/dbraw/zinc/12/71/60/282127160.db2.gz OUQWDUORKZJIEZ-MGPQQGTHSA-N 1 0 319.467 1.373 10 0 DDAERO CCC[C@@H](CC[NH3+])CCCN1CCN(S(C)(=O)=O)CC1 ZINC000079244846 185162334 /nfs/dbraw/zinc/16/23/34/185162334.db2.gz QDVBCVDNKXCOSV-CQSZACIVSA-N 1 0 305.488 1.109 10 0 DDAERO CC[NH2+][C@@H](CS(=O)(=O)CCOC)c1ccc(OCC)cc1 ZINC000081944976 192345667 /nfs/dbraw/zinc/34/56/67/192345667.db2.gz KHWQGWVNXCQQHB-HNNXBMFYSA-N 1 0 315.435 1.797 10 0 DDAERO CC(C)[C@H](C[NH3+])C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000087517898 185227560 /nfs/dbraw/zinc/22/75/60/185227560.db2.gz NWXRMFXGVVIOGI-ZDUSSCGKSA-N 1 0 313.423 1.106 10 0 DDAERO Brc1ccsc1C[NH2+]CC[C@H]1COCCN1 ZINC000087575987 185228835 /nfs/dbraw/zinc/22/88/35/185228835.db2.gz WMXJUSGRGHUOOH-VIFPVBQESA-N 1 0 305.241 1.979 10 0 DDAERO [NH3+]C1CN(Cc2nnc(-c3ccc(Br)cc3)o2)C1 ZINC000087590198 185229046 /nfs/dbraw/zinc/22/90/46/185229046.db2.gz NIYMCOGGFLPMDG-UHFFFAOYSA-N 1 0 309.167 1.642 10 0 DDAERO CC(C)(C(N)=S)[NH+]1CCN(c2nc(C3CC3)ns2)CC1 ZINC000087639978 185229673 /nfs/dbraw/zinc/22/96/73/185229673.db2.gz VQXTVQFJNOQENG-UHFFFAOYSA-N 1 0 311.480 1.602 10 0 DDAERO NNc1cc(NCc2sccc2Br)nc(N)[nH+]1 ZINC000087896046 185235603 /nfs/dbraw/zinc/23/56/03/185235603.db2.gz VTGPTDULABBIKJ-UHFFFAOYSA-N 1 0 315.200 1.781 10 0 DDAERO Nc1[nH+]c2ccc(Br)cc2n1CC(=O)NC1CC1 ZINC000087836969 185233206 /nfs/dbraw/zinc/23/32/06/185233206.db2.gz YFDILOCKKQQCFB-UHFFFAOYSA-N 1 0 309.167 1.660 10 0 DDAERO CCC[NH2+][C@H]1CCCc2c1cnn2[C@]1(C)CCS(=O)(=O)C1 ZINC000087862185 185233915 /nfs/dbraw/zinc/23/39/15/185233915.db2.gz ITMIWBJNPPSIRK-DZGCQCFKSA-N 1 0 311.451 1.794 10 0 DDAERO NNc1nc(NCc2cscn2)c(Br)c[nH+]1 ZINC000087877873 185234228 /nfs/dbraw/zinc/23/42/28/185234228.db2.gz LATSWVGXVWEBLY-UHFFFAOYSA-N 1 0 301.173 1.593 10 0 DDAERO Cc1ccc([C@H](C)NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)o1 ZINC000180752257 539236201 /nfs/dbraw/zinc/23/62/01/539236201.db2.gz XOWDGKOAJJFOKS-BZPMIXESSA-N 1 0 309.410 1.746 10 0 DDAERO CCc1ccc([C@@H](COC)[NH2+]C[C@@H](O)CN2CCCC2=O)o1 ZINC000184840931 539244878 /nfs/dbraw/zinc/24/48/78/539244878.db2.gz ZYBOAQQUXRRVNV-TZMCWYRMSA-N 1 0 310.394 1.102 10 0 DDAERO CCC[C@@]1(C(=O)Nc2cnc(Br)cn2)CC[NH2+]C1 ZINC000088446397 185251115 /nfs/dbraw/zinc/25/11/15/185251115.db2.gz GSNUMIAVYHJRFY-GFCCVEGCSA-N 1 0 313.199 1.957 10 0 DDAERO CCC[C@H](COC)NS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088551334 185257497 /nfs/dbraw/zinc/25/74/97/185257497.db2.gz FZAXOAKBAJVTPZ-GFCCVEGCSA-N 1 0 318.439 1.871 10 0 DDAERO Nc1c2nccnc2sc1C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000088639552 185260448 /nfs/dbraw/zinc/26/04/48/185260448.db2.gz ZDRIDWYMAZLAJW-SECBINFHSA-N 1 0 303.391 1.098 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2cn(C)nc2CC)C[C@@H]1CC ZINC000246016919 539269177 /nfs/dbraw/zinc/26/91/77/539269177.db2.gz ZQRSDXJZZMSEIV-INIZCTEOSA-N 1 0 308.470 1.915 10 0 DDAERO Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](C)C1 ZINC000178301645 282216749 /nfs/dbraw/zinc/21/67/49/282216749.db2.gz DFMYEDSCDMXAGX-GOEBONIOSA-N 1 0 304.438 1.914 10 0 DDAERO CC(C)CN(CC[NH+](C)C)S(=O)(=O)c1cc(CO)cs1 ZINC000088892471 185269887 /nfs/dbraw/zinc/26/98/87/185269887.db2.gz VLJYDKTWFMYORN-UHFFFAOYSA-N 1 0 320.480 1.449 10 0 DDAERO Brc1csc(CN2CCN(C3C[NH2+]C3)CC2)c1 ZINC000090306286 185290137 /nfs/dbraw/zinc/29/01/37/185290137.db2.gz GYEKXDOAPPJLGT-UHFFFAOYSA-N 1 0 316.268 1.600 10 0 DDAERO O=C(c1c(Cl)cccc1Cl)N1CCN(C2C[NH2+]C2)CC1 ZINC000090307042 185290150 /nfs/dbraw/zinc/29/01/50/185290150.db2.gz VJHALVGWYILHIU-UHFFFAOYSA-N 1 0 314.216 1.723 10 0 DDAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000090312909 185290701 /nfs/dbraw/zinc/29/07/01/185290701.db2.gz JASNKBCOZHOUOI-TUAOUCFPSA-N 1 0 304.799 1.123 10 0 DDAERO O=S(=O)(c1ccc(F)c(Cl)c1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090321955 185291024 /nfs/dbraw/zinc/29/10/24/185291024.db2.gz GKXDOKZMEPYDSB-IUCAKERBSA-N 1 0 304.774 1.319 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)N1CCCCCC1 ZINC000090336961 185291789 /nfs/dbraw/zinc/29/17/89/185291789.db2.gz ZMPSDHWFXBWWFG-CHWSQXEVSA-N 1 0 301.456 1.037 10 0 DDAERO CC[C@@H]([NH3+])CSCC(=O)Nc1ccsc1C(=O)OC ZINC000090356827 185292343 /nfs/dbraw/zinc/29/23/43/185292343.db2.gz YXJJBBWZYHPPRL-MRVPVSSYSA-N 1 0 302.421 1.944 10 0 DDAERO [NH3+][C@@H]1COC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000090364566 185292788 /nfs/dbraw/zinc/29/27/88/185292788.db2.gz VWLUMAYEFFDBDV-WCBMZHEXSA-N 1 0 310.151 1.940 10 0 DDAERO [NH3+][C@H]1COC[C@H]1C(=O)Nc1cccc(Cl)c1-n1ccnc1 ZINC000090379724 185293588 /nfs/dbraw/zinc/29/35/88/185293588.db2.gz IFNUSTFJQMTMHY-KOLCDFICSA-N 1 0 306.753 1.438 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(Br)c(F)c1 ZINC000090438381 185296701 /nfs/dbraw/zinc/29/67/01/185296701.db2.gz KZHSQLQLNMEFBV-GZMMTYOYSA-N 1 0 317.158 1.761 10 0 DDAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090604458 185306212 /nfs/dbraw/zinc/30/62/12/185306212.db2.gz SEPIDKWAQPBXMI-HZMBPMFUSA-N 1 0 312.391 1.536 10 0 DDAERO COCCNC(=O)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000090700981 185310423 /nfs/dbraw/zinc/31/04/23/185310423.db2.gz IUPUPLBHWKMPKR-CYBMUJFWSA-N 1 0 301.456 1.246 10 0 DDAERO NC(=S)C[NH+]1CCN(Cc2ccnc3ccccc23)CC1 ZINC000092347822 185313499 /nfs/dbraw/zinc/31/34/99/185313499.db2.gz APEBPNJMPRIJJE-UHFFFAOYSA-N 1 0 300.431 1.639 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1sc(N)nc1C ZINC000092634012 185330386 /nfs/dbraw/zinc/33/03/86/185330386.db2.gz SNFBTYBMHZPESK-SNVBAGLBSA-N 1 0 318.468 1.139 10 0 DDAERO O=C(Nc1c(Cl)cccc1Cl)c1cn(C2C[NH2+]C2)nn1 ZINC000092702828 185334181 /nfs/dbraw/zinc/33/41/81/185334181.db2.gz KIRJRXSXMYZWDR-UHFFFAOYSA-N 1 0 312.160 1.982 10 0 DDAERO C[NH2+][C@@H]1c2cc(OC)ccc2C[C@@H]1SCCS(C)(=O)=O ZINC000092911600 185348426 /nfs/dbraw/zinc/34/84/26/185348426.db2.gz VGOGYOHEIKZHPA-UONOGXRCSA-N 1 0 315.460 1.658 10 0 DDAERO Cc1cc(F)cc(C)c1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000229365082 201831111 /nfs/dbraw/zinc/83/11/11/201831111.db2.gz ULDMJZDXANHVFO-GFCCVEGCSA-N 1 0 300.399 1.720 10 0 DDAERO CCC[NH2+][C@H](C)[C@H]1CCCN(S(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000111713479 185629005 /nfs/dbraw/zinc/62/90/05/185629005.db2.gz JVNAHNSZRLBKJE-ILXRZTDVSA-N 1 0 318.483 1.595 10 0 DDAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@@H](c2cn[nH]n2)C1 ZINC000616629822 362763543 /nfs/dbraw/zinc/76/35/43/362763543.db2.gz QRFSFPXWKAZUHL-GFCCVEGCSA-N 1 0 309.414 1.899 10 0 DDAERO CCCC(=O)N1CCCC[C@H]1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000152616572 282575872 /nfs/dbraw/zinc/57/58/72/282575872.db2.gz XFVWZUNYALHUOR-CABCVRRESA-N 1 0 309.454 1.674 10 0 DDAERO CC(C)([NH3+])CCC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000070088175 190857887 /nfs/dbraw/zinc/85/78/87/190857887.db2.gz JFOMQDBCUYVDQY-UHFFFAOYSA-N 1 0 309.435 1.550 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cn(C)c(=O)cc1C ZINC000182012282 199374696 /nfs/dbraw/zinc/37/46/96/199374696.db2.gz ALMRSTSJWXKLSH-ZIAGYGMSSA-N 1 0 318.421 1.784 10 0 DDAERO Cc1cccc(S(=O)(=O)N[C@H](C(N)=[NH2+])c2ccccc2)c1 ZINC000083757640 192381988 /nfs/dbraw/zinc/38/19/88/192381988.db2.gz FRNRWNNOCLKSLF-AWEZNQCLSA-N 1 0 303.387 1.951 10 0 DDAERO CC(C)C[C@H]1C[NH2+][C@H](C(C)(C)C)CN1CCS(C)(=O)=O ZINC000071347704 190961081 /nfs/dbraw/zinc/96/10/81/190961081.db2.gz VDQANYBKIARRIV-KBPBESRZSA-N 1 0 304.500 1.766 10 0 DDAERO CCC[C@H]1C[NH2+][C@H]([C@@H](C)CC)CN1CCCS(C)(=O)=O ZINC000071354471 190961950 /nfs/dbraw/zinc/96/19/50/190961950.db2.gz WQWQBJSNYWPNAR-KKUMJFAQSA-N 1 0 304.500 1.910 10 0 DDAERO CNS(=O)(=O)c1cccc(NC(=O)CC2([NH3+])CCCC2)c1 ZINC000084166450 192408901 /nfs/dbraw/zinc/40/89/01/192408901.db2.gz BHQYALXZKHMTRP-UHFFFAOYSA-N 1 0 311.407 1.195 10 0 DDAERO CC(C)[C@H]1CN(CC(N)=O)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071721354 191013711 /nfs/dbraw/zinc/01/37/11/191013711.db2.gz DXGWOPKPUNKQRZ-MRXNPFEDSA-N 1 0 307.413 1.843 10 0 DDAERO CN(CC[C@H](O)c1ccccc1)c1ncnc2c1CC[NH2+]CC2 ZINC000072479966 191180836 /nfs/dbraw/zinc/18/08/36/191180836.db2.gz DAKZQJNNOMKDHH-KRWDZBQOSA-N 1 0 312.417 1.725 10 0 DDAERO C[C@H](CCc1cccn1C)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173509565 198222621 /nfs/dbraw/zinc/22/26/21/198222621.db2.gz XQERCSKVWWWTAL-GDBMZVCRSA-N 1 0 304.438 1.836 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCc1ccc(F)cc1 ZINC000173745220 198247849 /nfs/dbraw/zinc/24/78/49/198247849.db2.gz UCTPLLBKMOQIEW-IUODEOHRSA-N 1 0 319.380 1.137 10 0 DDAERO O=C(C1CC1)N1CC[C@](O)(c2ccccc2)[C@H]([NH+]2CCCC2)C1 ZINC000097942732 353921176 /nfs/dbraw/zinc/92/11/76/353921176.db2.gz MRRIBQFIGYMERK-MJGOQNOKSA-N 1 0 314.429 1.981 10 0 DDAERO COc1cc(Nc2ncc([C@@H](C)[NH3+])nn2)cc(OC)c1OC ZINC000149634503 354173536 /nfs/dbraw/zinc/17/35/36/354173536.db2.gz BXYVANSPHDUABZ-MRVPVSSYSA-N 1 0 305.338 1.661 10 0 DDAERO CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000236758019 201996565 /nfs/dbraw/zinc/99/65/65/201996565.db2.gz WTGFCXNUISUNTQ-RDBSUJKOSA-N 1 0 309.454 1.515 10 0 DDAERO C[NH+](C)[C@@H]1CCN(c2ccc(I)cn2)C1 ZINC000150313982 354176046 /nfs/dbraw/zinc/17/60/46/354176046.db2.gz XEMBRXXSMKRJOP-SNVBAGLBSA-N 1 0 317.174 1.827 10 0 DDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000311714079 354477365 /nfs/dbraw/zinc/47/73/65/354477365.db2.gz WKFUVMJNBNHWAX-DLBZAZTESA-N 1 0 306.450 1.884 10 0 DDAERO CCn1nccc1CN(Cc1cncnc1)[C@@H]1CCC[NH2+]CC1 ZINC000328653115 354559435 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C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@H](n2cccn2)C1 ZINC000328975532 295924182 /nfs/dbraw/zinc/92/41/82/295924182.db2.gz CRQPLKSXJJYIGG-GJZGRUSLSA-N 1 0 306.410 1.015 10 0 DDAERO C[C@@H](CN(C)c1ncncc1I)C(N)=[NH2+] ZINC000085465068 192508067 /nfs/dbraw/zinc/50/80/67/192508067.db2.gz GAAVHMQDATYBRR-LURJTMIESA-N 1 0 319.150 1.089 10 0 DDAERO CC[NH2+]CCNC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000236932234 202079575 /nfs/dbraw/zinc/07/95/75/202079575.db2.gz MHVQBOJESZSYET-HNNXBMFYSA-N 1 0 321.421 1.175 10 0 DDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCN(c2ncccc2Cl)CC1 ZINC000236955957 202093596 /nfs/dbraw/zinc/09/35/96/202093596.db2.gz MAIKPKZARBHNKX-DGCLKSJQSA-N 1 0 310.829 1.757 10 0 DDAERO CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000237010255 202121124 /nfs/dbraw/zinc/12/11/24/202121124.db2.gz OPOLRKGNHISWNU-NWDGAFQWSA-N 1 0 314.389 1.399 10 0 DDAERO [NH3+][C@H](Cc1ccn(C2CCCCC2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000086566546 192582532 /nfs/dbraw/zinc/58/25/32/192582532.db2.gz OYZXMIUZGDHVRW-SWLSCSKDSA-N 1 0 311.451 1.693 10 0 DDAERO COCCOc1ccc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000237143887 202165785 /nfs/dbraw/zinc/16/57/85/202165785.db2.gz XIVXPFKWZZAZMW-GJZGRUSLSA-N 1 0 306.406 1.846 10 0 DDAERO COC(=O)CN(CCc1ccccc1)C(=O)C1CC[NH2+]CC1 ZINC000237163663 202171709 /nfs/dbraw/zinc/17/17/09/202171709.db2.gz QVYOXTRHGOJMPR-UHFFFAOYSA-N 1 0 304.390 1.230 10 0 DDAERO COC[C@H](NS(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1)C(C)C ZINC000086703497 192594816 /nfs/dbraw/zinc/59/48/16/192594816.db2.gz ZTPMVLYADVRLPK-RISCZKNCSA-N 1 0 300.424 1.656 10 0 DDAERO CC[NH2+]CCCn1cc(S(=O)(=O)N2CCCC[C@@H]2C)cn1 ZINC000088906789 192651117 /nfs/dbraw/zinc/65/11/17/192651117.db2.gz TXDDAEZTVBUNRG-ZDUSSCGKSA-N 1 0 314.455 1.446 10 0 DDAERO CC[C@H](C)N(C)S(=O)(=O)c1ccc(OCCC[NH3+])cc1 ZINC000088949723 192665788 /nfs/dbraw/zinc/66/57/88/192665788.db2.gz PRFXJSCXERZCHW-LBPRGKRZSA-N 1 0 300.424 1.833 10 0 DDAERO CC[NH2+]CC1CCN(S(=O)(=O)N(C)Cc2ccoc2)CC1 ZINC000088990557 192684739 /nfs/dbraw/zinc/68/47/39/192684739.db2.gz RHXATOOEZZWBIW-UHFFFAOYSA-N 1 0 315.439 1.278 10 0 DDAERO CCC[C@H](C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1)[NH+](C)C ZINC000179647490 199069226 /nfs/dbraw/zinc/06/92/26/199069226.db2.gz OVGXWCDYZPOFEA-DZGCQCFKSA-N 1 0 303.406 1.638 10 0 DDAERO Cn1cnnc1[C@@H]1CCCN1C[C@H](O)COCc1ccccc1 ZINC000179660258 199071104 /nfs/dbraw/zinc/07/11/04/199071104.db2.gz CZTNPCGGWULTAN-HOTGVXAUSA-N 1 0 316.405 1.530 10 0 DDAERO CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cnccn2)ncn1 ZINC000180573790 199178229 /nfs/dbraw/zinc/17/82/29/199178229.db2.gz YTQJDBCGUXQTHK-STQMWFEESA-N 1 0 313.409 1.628 10 0 DDAERO COc1ccc(OC)c([C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)c1 ZINC000180598922 199182115 /nfs/dbraw/zinc/18/21/15/199182115.db2.gz CBYOXGRBVJBNNK-NEPJUHHUSA-N 1 0 302.378 1.961 10 0 DDAERO CCCc1csc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)n1 ZINC000180631276 199188062 /nfs/dbraw/zinc/18/80/62/199188062.db2.gz RZPCORZHFCOHQP-LBPRGKRZSA-N 1 0 312.439 1.890 10 0 DDAERO C[C@H]1C[C@@H]([NH3+])CN1c1ccc(I)cn1 ZINC000600962492 358359217 /nfs/dbraw/zinc/35/92/17/358359217.db2.gz DSWBBGPKJMEMGX-IONNQARKSA-N 1 0 303.147 1.612 10 0 DDAERO CN(c1ccccc1F)S(=O)(=O)c1cnn(CCC[NH3+])c1 ZINC000089021205 192700324 /nfs/dbraw/zinc/70/03/24/192700324.db2.gz HWBBLVAPNASIEI-UHFFFAOYSA-N 1 0 312.370 1.196 10 0 DDAERO Cc1nn(CC[NH3+])c(C)c1S(=O)(=O)N1CC[C@@H](C)C[C@@H]1C ZINC000089023081 192703760 /nfs/dbraw/zinc/70/37/60/192703760.db2.gz FTBMFCADSXAURH-MNOVXSKESA-N 1 0 314.455 1.268 10 0 DDAERO CC[NH2+]Cc1c(C)[nH]nc1S(=O)(=O)N1CCC(C)(C)CC1 ZINC000089027098 192707648 /nfs/dbraw/zinc/70/76/48/192707648.db2.gz ZEYSUEFDSFQWIJ-UHFFFAOYSA-N 1 0 314.455 1.638 10 0 DDAERO CCNC(=O)[C@H]1C[NH2+]CCN1C1CCC(C(F)(F)F)CC1 ZINC000089088534 192724862 /nfs/dbraw/zinc/72/48/62/192724862.db2.gz IEWOZAZHWXFDRZ-HTAVTVPLSA-N 1 0 307.360 1.517 10 0 DDAERO COc1cccc2[nH]cc(CC(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)c21 ZINC000186901161 200028729 /nfs/dbraw/zinc/02/87/29/200028729.db2.gz XXWRLNUOVGVNLE-YUTCNCBUSA-N 1 0 313.401 1.915 10 0 DDAERO COCC[N@@H+]1CCN(CCc2ccccc2C(=O)OC)C[C@@H]1C ZINC000186970789 200040527 /nfs/dbraw/zinc/04/05/27/200040527.db2.gz UAFRNEWWWNPSEO-HNNXBMFYSA-N 1 0 320.433 1.668 10 0 DDAERO CSC[C@@H](O)C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000187793266 200157680 /nfs/dbraw/zinc/15/76/80/200157680.db2.gz WZLMQBNUIHJPMK-JQWIXIFHSA-N 1 0 303.449 1.465 10 0 DDAERO [NH3+]C[C@@H]1CN(c2ccnc3cc(Br)cnc32)CCO1 ZINC000135515054 283488006 /nfs/dbraw/zinc/48/80/06/283488006.db2.gz IQJIYUSVNNHJBS-SNVBAGLBSA-N 1 0 323.194 1.556 10 0 DDAERO Cc1ccc(S(=O)(=O)NCC[NH2+]CC2CCOCC2)cc1 ZINC000237744682 202344908 /nfs/dbraw/zinc/34/49/08/202344908.db2.gz OMIJNGGVLFVCKN-UHFFFAOYSA-N 1 0 312.435 1.290 10 0 DDAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)C1 ZINC000237934981 202396523 /nfs/dbraw/zinc/39/65/23/202396523.db2.gz TUGKBTZUMVVSAU-ZIAGYGMSSA-N 1 0 322.453 1.300 10 0 DDAERO CC(=O)OC(C)(C)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000188980644 200330928 /nfs/dbraw/zinc/33/09/28/200330928.db2.gz LMYRYARWBPOYLT-ZDUSSCGKSA-N 1 0 306.406 1.965 10 0 DDAERO C[C@@H]([NH3+])CCC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000193309147 296016953 /nfs/dbraw/zinc/01/69/53/296016953.db2.gz NVZHVXJTRYEDKR-CHWSQXEVSA-N 1 0 305.426 1.795 10 0 DDAERO CC(C)CC[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000190741951 200580343 /nfs/dbraw/zinc/58/03/43/200580343.db2.gz AQSYYJJLQXKNBS-UHFFFAOYSA-N 1 0 305.426 1.151 10 0 DDAERO C[C@H]([NH3+])[C@H](C)C(=O)N1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000192084212 200815213 /nfs/dbraw/zinc/81/52/13/200815213.db2.gz XWGIBLRUUZLKQJ-CYDGBPFRSA-N 1 0 312.435 1.382 10 0 DDAERO [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000193289853 201021885 /nfs/dbraw/zinc/02/18/85/201021885.db2.gz CUCBJNQXITYILT-PSASIEDQSA-N 1 0 323.340 1.506 10 0 DDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000193538336 201071183 /nfs/dbraw/zinc/07/11/83/201071183.db2.gz FGCSSJUAWLEMHO-GXSJLCMTSA-N 1 0 317.311 1.893 10 0 DDAERO C[NH2+][C@@H]1CCCC[C@H]1CN1CCSC[C@@H]1S(C)(=O)=O ZINC000090923623 192948153 /nfs/dbraw/zinc/94/81/53/192948153.db2.gz YHGXGSBABPLVEY-XQQFMLRXSA-N 1 0 306.497 1.184 10 0 DDAERO C[C@@H]([NH3+])Cc1ccccc1N1CCSC[C@@H]1S(C)(=O)=O ZINC000090924602 192949406 /nfs/dbraw/zinc/94/94/06/192949406.db2.gz KSPKZCPULUOEFH-RISCZKNCSA-N 1 0 314.476 1.500 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(CNC(N)=O)cc1 ZINC000247120505 202646945 /nfs/dbraw/zinc/64/69/45/202646945.db2.gz JAUHPSRIAQVUKB-WFASDCNBSA-N 1 0 316.405 1.164 10 0 DDAERO C[C@@H]([NH3+])c1nc(CN2CCN(c3ccccn3)CC2)cs1 ZINC000090957949 192964715 /nfs/dbraw/zinc/96/47/15/192964715.db2.gz ADTMYOFTSXCNDP-GFCCVEGCSA-N 1 0 303.435 1.880 10 0 DDAERO CCCn1ccc(C[NH2+]CCCN(CC)S(C)(=O)=O)c1 ZINC000091012659 192970690 /nfs/dbraw/zinc/97/06/90/192970690.db2.gz LOTSQLQCNGGQCO-UHFFFAOYSA-N 1 0 301.456 1.659 10 0 DDAERO CCOC(=O)c1cccc(NC(=O)C[C@@H]2CSCC[NH2+]2)c1 ZINC000091138376 193002829 /nfs/dbraw/zinc/00/28/29/193002829.db2.gz XPSZQVYQMJPXHB-CYBMUJFWSA-N 1 0 308.403 1.897 10 0 DDAERO CC(C)[NH2+]Cc1cnn([C@H]2CCS(=O)(=O)C2)c1C(F)F ZINC000091336118 193042513 /nfs/dbraw/zinc/04/25/13/193042513.db2.gz MNJRECFCOXALCN-JTQLQIEISA-N 1 0 307.366 1.678 10 0 DDAERO CCc1nn(C)c(C[C@@](C)(O)CC[NH2+]C)c1Br ZINC000091466374 193059098 /nfs/dbraw/zinc/05/90/98/193059098.db2.gz WTKLKALWVMKJDV-LBPRGKRZSA-N 1 0 304.232 1.648 10 0 DDAERO CCn1cc(C2CC[NH+]([C@H](C)CN3CCOCC3)CC2)cn1 ZINC000091510126 193067500 /nfs/dbraw/zinc/06/75/00/193067500.db2.gz JMHCCPXVLOAFPZ-OAHLLOKOSA-N 1 0 306.454 1.803 10 0 DDAERO CCOc1nc(Cl)nc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000091677353 193090139 /nfs/dbraw/zinc/09/01/39/193090139.db2.gz AFSKKSIEPQZTOP-NXEZZACHSA-N 1 0 313.789 1.199 10 0 DDAERO CCn1nc(C)c(Cl)c1C[C@H]([NH2+]C)[C@H]1CN(C)CCO1 ZINC000091717924 193096625 /nfs/dbraw/zinc/09/66/25/193096625.db2.gz RLFZFNRKQVCWGU-WCQYABFASA-N 1 0 300.834 1.326 10 0 DDAERO C[C@@H](CCO)C[NH2+]Cc1cnc2cnc(Br)cn12 ZINC000092050367 193147983 /nfs/dbraw/zinc/14/79/83/193147983.db2.gz NZFUXKWVRYLXBX-VIFPVBQESA-N 1 0 313.199 1.600 10 0 DDAERO Brc1cn2c(C[NH2+][C@H]3CCCOC3)cnc2cn1 ZINC000092050048 193148545 /nfs/dbraw/zinc/14/85/45/193148545.db2.gz CFWDIIMTYNZWFU-VIFPVBQESA-N 1 0 311.183 1.760 10 0 DDAERO C[NH2+]Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)cn1C1CC1 ZINC000092113667 193161748 /nfs/dbraw/zinc/16/17/48/193161748.db2.gz VUFMTMZJOMBINC-VXGBXAGGSA-N 1 0 311.451 1.819 10 0 DDAERO COCCN(CC(C)C)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115954 193164034 /nfs/dbraw/zinc/16/40/34/193164034.db2.gz GREOAAAFHTWLTI-UHFFFAOYSA-N 1 0 318.414 1.578 10 0 DDAERO [NH3+][C@@H]1C=C[C@@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000092201484 193173062 /nfs/dbraw/zinc/17/30/62/193173062.db2.gz UMIIKYFSQHFGKY-TZMCWYRMSA-N 1 0 305.809 1.892 10 0 DDAERO CCNC(=O)[C@H]1C[NH2+]CCN1C[C@@H]1Cc2ccccc2S1 ZINC000092267972 193183318 /nfs/dbraw/zinc/18/33/18/193183318.db2.gz XWBBIGFSSXGFKR-UONOGXRCSA-N 1 0 305.447 1.113 10 0 DDAERO COc1ccccc1C[C@@H](C)N(C)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261649407 203087206 /nfs/dbraw/zinc/08/72/06/203087206.db2.gz FBCFELYIILAGCE-XPKDYRNWSA-N 1 0 306.406 1.591 10 0 DDAERO C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261721475 203102077 /nfs/dbraw/zinc/10/20/77/203102077.db2.gz CLDSEDVXLOYWJQ-QZKOUSHUSA-N 1 0 310.369 1.260 10 0 DDAERO C[C@H](C[NH2+]C(C)(C)C)[C@@H](C)N1CCSC[C@@H]1S(C)(=O)=O ZINC000093071335 193199255 /nfs/dbraw/zinc/19/92/55/193199255.db2.gz SDYMTXJDBOSGFK-UPJWGTAASA-N 1 0 322.540 1.819 10 0 DDAERO CCCN(CC(F)F)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261976822 203164523 /nfs/dbraw/zinc/16/45/23/203164523.db2.gz RDARGLYHYWGUGA-NEPJUHHUSA-N 1 0 300.353 1.227 10 0 DDAERO COCc1ccccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262025436 203176844 /nfs/dbraw/zinc/17/68/44/203176844.db2.gz WXWBTPFVLHKBPH-CABCVRRESA-N 1 0 314.389 1.508 10 0 DDAERO COCC[NH2+]C[C@@H](c1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000093165171 193208981 /nfs/dbraw/zinc/20/89/81/193208981.db2.gz GSNRMNIROGXEKF-ZFWWWQNUSA-N 1 0 315.410 1.580 10 0 DDAERO Cc1ccc(Cc2nnc(NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)s2)cc1 ZINC000262306119 203256551 /nfs/dbraw/zinc/25/65/51/203256551.db2.gz AVARLCFWRABTAN-RYUDHWBXSA-N 1 0 318.402 1.099 10 0 DDAERO C[C@H]1C[C@@H](C(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)CC[NH2+]1 ZINC000262408265 203285903 /nfs/dbraw/zinc/28/59/03/203285903.db2.gz OXCLBBSLRYNDSC-YDHLFZDLSA-N 1 0 315.417 1.576 10 0 DDAERO COCCN1C(=[NH2+])NC[C@@H]1c1cc(Br)ccc1F ZINC000093380451 193240414 /nfs/dbraw/zinc/24/04/14/193240414.db2.gz KDIXDIJEKZHGIO-LLVKDONJSA-N 1 0 316.174 1.906 10 0 DDAERO CCc1nn(C)c(C[C@@H]([NH3+])C(OC)OC)c1Br ZINC000093304796 193227114 /nfs/dbraw/zinc/22/71/14/193227114.db2.gz MKPGZPGYRWQFFC-SSDOTTSWSA-N 1 0 306.204 1.234 10 0 DDAERO CC(C)[C@H]1C[NH2+][C@@H](C2CC2)CN1CC(C)(C)S(C)(=O)=O ZINC000093525858 193264256 /nfs/dbraw/zinc/26/42/56/193264256.db2.gz FPSGHHRCLKGHAF-ZIAGYGMSSA-N 1 0 302.484 1.518 10 0 DDAERO C[NH2+]Cc1ccccc1OC[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093695932 193290374 /nfs/dbraw/zinc/29/03/74/193290374.db2.gz UGUUGMVIONXVJL-ZDUSSCGKSA-N 1 0 312.435 1.456 10 0 DDAERO CCC[NH2+]C1CCN(C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093695713 193291419 /nfs/dbraw/zinc/29/14/19/193291419.db2.gz XROIJDJJDUBDFE-AWEZNQCLSA-N 1 0 317.499 1.122 10 0 DDAERO Cc1cccc(CC[NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000093696805 193291733 /nfs/dbraw/zinc/29/17/33/193291733.db2.gz PYSZDUDHXHEZRI-INIZCTEOSA-N 1 0 310.463 1.799 10 0 DDAERO CS(=O)(=O)N1CCC[C@@H](C[NH2+]CCc2ccsc2)C1 ZINC000093696546 193291743 /nfs/dbraw/zinc/29/17/43/193291743.db2.gz JFZPBJWGBHRNLW-ZDUSSCGKSA-N 1 0 302.465 1.552 10 0 DDAERO COc1ccccc1[C@H]([NH3+])C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093699777 193293888 /nfs/dbraw/zinc/29/38/88/193293888.db2.gz GAPPFDJYETTXAC-TZMCWYRMSA-N 1 0 312.435 1.757 10 0 DDAERO C[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1cc(C)ccn1 ZINC000093700314 193293967 /nfs/dbraw/zinc/29/39/67/193293967.db2.gz IQNCNAUBIIMRDD-KGLIPLIRSA-N 1 0 311.451 1.712 10 0 DDAERO CCC[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)C(OC)OC ZINC000093700837 193294626 /nfs/dbraw/zinc/29/46/26/193294626.db2.gz RWKQFAMIDAKNRC-OLZOCXBDSA-N 1 0 322.471 1.035 10 0 DDAERO C[NH2+][C@]1(C(N)=O)CCC[C@H](Sc2nnc3ccccn32)C1 ZINC000093779468 193305543 /nfs/dbraw/zinc/30/55/43/193305543.db2.gz STRRNBLSKSLLMO-IINYFYTJSA-N 1 0 305.407 1.208 10 0 DDAERO Cc1nnc(S[C@H]2CCC[C@]([NH2+]C3CC3)(C(N)=O)C2)s1 ZINC000093778381 193305670 /nfs/dbraw/zinc/30/56/70/193305670.db2.gz DDEZLHTWVHPOHP-GXFFZTMASA-N 1 0 312.464 1.857 10 0 DDAERO COC(=O)[C@@]1([NH3+])CC[C@@H](Sc2nnc3n2CCCCC3)C1 ZINC000093850548 193317424 /nfs/dbraw/zinc/31/74/24/193317424.db2.gz MEQZVOPEJCJCTM-QMTHXVAHSA-N 1 0 310.423 1.520 10 0 DDAERO Cc1cc(C)nc(S[C@H]2CC[C@@]([NH2+]C3CC3)(C(N)=O)C2)n1 ZINC000093852368 193318494 /nfs/dbraw/zinc/31/84/94/193318494.db2.gz MAVPCSIFWWVHDF-WFASDCNBSA-N 1 0 306.435 1.714 10 0 DDAERO CCOC(=O)[C@]1([NH3+])CC[C@@H](Sc2ncnc3[nH]cnc32)C1 ZINC000093852127 193318831 /nfs/dbraw/zinc/31/88/31/193318831.db2.gz ZVFQXAZZQQIFQD-OQPBUACISA-N 1 0 307.379 1.258 10 0 DDAERO CCN(CC(C)(C)C[NH3+])S(=O)(=O)c1cc(F)cc(F)c1 ZINC000093878163 193322173 /nfs/dbraw/zinc/32/21/73/193322173.db2.gz DMFLSBBZLNRBOV-UHFFFAOYSA-N 1 0 306.378 1.960 10 0 DDAERO COc1ccc(S(=O)(=O)N(C)CC(C)(C)C[NH3+])c(OC)c1 ZINC000093873809 193322572 /nfs/dbraw/zinc/32/25/72/193322572.db2.gz ZVLFFPXQDMQZQG-UHFFFAOYSA-N 1 0 316.423 1.309 10 0 DDAERO CC(C)C[NH2+]Cc1cccc(CN(C)CCS(C)(=O)=O)c1 ZINC000094300974 193358385 /nfs/dbraw/zinc/35/83/85/193358385.db2.gz WMHIHZJNBKNNQF-UHFFFAOYSA-N 1 0 312.479 1.909 10 0 DDAERO CC(C)[NH2+]Cc1cc(F)c(OC[C@@H]2CNC(=O)O2)c(F)c1 ZINC000094347369 193363572 /nfs/dbraw/zinc/36/35/72/193363572.db2.gz BINVEJOTYIRGFU-JTQLQIEISA-N 1 0 300.305 1.950 10 0 DDAERO COCC[C@H]([NH3+])C(=O)Nc1cc(C)c(Br)cn1 ZINC000094063575 193342675 /nfs/dbraw/zinc/34/26/75/193342675.db2.gz PDMGLTHKPNCENW-VIFPVBQESA-N 1 0 302.172 1.455 10 0 DDAERO Cc1c(N[C@@H](C[NH+](C)C)C(C)C)cc(N)cc1S(N)(=O)=O ZINC000094359959 193365001 /nfs/dbraw/zinc/36/50/01/193365001.db2.gz VKWYQMXJXLDUEK-ZDUSSCGKSA-N 1 0 314.455 1.223 10 0 DDAERO CC1CCC(CO)([NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094635853 193386210 /nfs/dbraw/zinc/38/62/10/193386210.db2.gz JRPWOSGGJKSLJF-RAFNIBEQSA-N 1 0 303.468 1.873 10 0 DDAERO CS(=O)(=O)[C@@H]1CCC[C@@H](N2CC[NH2+]Cc3ccccc32)C1 ZINC000094638660 193388351 /nfs/dbraw/zinc/38/83/51/193388351.db2.gz YCNGWVSDHXEOHY-HUUCEWRRSA-N 1 0 308.447 1.952 10 0 DDAERO COCC[NH2+][C@H](C)[C@H](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000094656184 193390900 /nfs/dbraw/zinc/39/09/00/193390900.db2.gz XSLOJIFPNGRZBD-MCIONIFRSA-N 1 0 306.472 1.309 10 0 DDAERO CCC[NH2+][C@H](C(OC)OC)[C@H]1CCOC2(CCOCC2)C1 ZINC000094407955 193367640 /nfs/dbraw/zinc/36/76/40/193367640.db2.gz SQGWHELVGGKXAQ-KBPBESRZSA-N 1 0 301.427 1.949 10 0 DDAERO COCCCN(CCOC)[C@]1(C[NH3+])CSCC(C)(C)C1 ZINC000094489384 193373812 /nfs/dbraw/zinc/37/38/12/193373812.db2.gz IVLKYSLKAQSBEZ-OAHLLOKOSA-N 1 0 304.500 1.832 10 0 DDAERO C[C@@H](c1nc([C@@H]2CSCCS2)no1)N1CC[NH2+]CC1 ZINC000094495726 193374063 /nfs/dbraw/zinc/37/40/63/193374063.db2.gz NYPPROPBKDQZQQ-UWVGGRQHSA-N 1 0 300.453 1.557 10 0 DDAERO C[NH2+][C@H](Cc1nc(C(C)(C)C)cs1)[C@H]1CN2CCN1CC2 ZINC000094509004 193376155 /nfs/dbraw/zinc/37/61/55/193376155.db2.gz IPCMXIYHLRXLGP-CHWSQXEVSA-N 1 0 308.495 1.571 10 0 DDAERO C[C@H]1C[C@@H]([NH3+])CN(c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000094553627 193379527 /nfs/dbraw/zinc/37/95/27/193379527.db2.gz WSRNGAFLVPSLAS-VHSXEESVSA-N 1 0 304.362 1.856 10 0 DDAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1c1nc2c(Br)cccn2n1 ZINC000094609084 193384502 /nfs/dbraw/zinc/38/45/02/193384502.db2.gz USIYAEOHAZAHFG-BBBLOLIVSA-N 1 0 322.210 1.536 10 0 DDAERO Brc1ccc2nc(N3C[C@H]4C[NH2+]C[C@H]4C3)nn2c1 ZINC000094609049 193384624 /nfs/dbraw/zinc/38/46/24/193384624.db2.gz DUSPZWVXZGLBHD-DTORHVGOSA-N 1 0 308.183 1.147 10 0 DDAERO Brc1cccn2nc(NC[C@@H]3CCC[NH2+]C3)nc12 ZINC000094607639 193384900 /nfs/dbraw/zinc/38/49/00/193384900.db2.gz RHIRNWVSKDGBDB-SECBINFHSA-N 1 0 310.199 1.903 10 0 DDAERO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CCN(c2nccs2)CC1 ZINC000094749139 193395870 /nfs/dbraw/zinc/39/58/70/193395870.db2.gz JZBQUOSQVJBZMY-QWHCGFSZSA-N 1 0 308.451 1.699 10 0 DDAERO Cc1cnc(N2CCN([C@H](C)C[NH3+])CC2)c(Br)c1 ZINC000097844562 193763958 /nfs/dbraw/zinc/76/39/58/193763958.db2.gz BCKPXDLVBUSADR-LLVKDONJSA-N 1 0 313.243 1.622 10 0 DDAERO COCCN1CCN(Cc2ccc(C(=O)OC)s2)C[C@@H]1C ZINC000118981049 248259207 /nfs/dbraw/zinc/25/92/07/248259207.db2.gz AFTKNBGSEHBXIZ-LBPRGKRZSA-N 1 0 312.435 1.687 10 0 DDAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccccc2OC(F)(F)F)C1 ZINC000040630279 183111523 /nfs/dbraw/zinc/11/15/23/183111523.db2.gz UTXCOWUWXUWSJO-SCZZXKLOSA-N 1 0 304.268 1.901 10 0 DDAERO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Br)c(N)c2)C1 ZINC000040671593 183115413 /nfs/dbraw/zinc/11/54/13/183115413.db2.gz AZNMVFDQXDLFLG-SNVBAGLBSA-N 1 0 312.211 1.855 10 0 DDAERO CS(=O)(=O)CCC[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000040671504 183115541 /nfs/dbraw/zinc/11/55/41/183115541.db2.gz SKUUKRNYLLKCRL-MRXNPFEDSA-N 1 0 310.463 1.328 10 0 DDAERO Nc1c(Nc2cc[nH+]cc2)ncnc1-n1nnc2ccccc21 ZINC000040687705 183117731 /nfs/dbraw/zinc/11/77/31/183117731.db2.gz MUSLGBFBTUIUSS-UHFFFAOYSA-N 1 0 304.317 1.931 10 0 DDAERO CCC[NH+]1CCC(NS(=O)(=O)c2ccnc(Cl)c2)CC1 ZINC000040805278 183136319 /nfs/dbraw/zinc/13/63/19/183136319.db2.gz XMTTXZPPUACBFW-UHFFFAOYSA-N 1 0 317.842 1.888 10 0 DDAERO C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N[C@@H]2CCCN(C)C2)c1 ZINC000040716244 183122380 /nfs/dbraw/zinc/12/23/80/183122380.db2.gz MYBAIZOGUXLQNP-GXTWGEPZSA-N 1 0 311.451 1.340 10 0 DDAERO [NH3+]Cc1ccccc1S(=O)(=O)Nc1ccc(CCO)cc1 ZINC000040739071 183127330 /nfs/dbraw/zinc/12/73/30/183127330.db2.gz XCNJTDSCGQSKMJ-UHFFFAOYSA-N 1 0 306.387 1.481 10 0 DDAERO Cc1nnc([C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)[nH]1 ZINC000334004342 249175358 /nfs/dbraw/zinc/17/53/58/249175358.db2.gz STSSVOHGTXFCMN-ZIAGYGMSSA-N 1 0 305.426 1.692 10 0 DDAERO COC(=O)COC[C@H]([NH3+])c1cc2c(cc1Cl)OCCCO2 ZINC000041072122 183163068 /nfs/dbraw/zinc/16/30/68/183163068.db2.gz ZARWVCIZCLAGDD-NSHDSACASA-N 1 0 315.753 1.691 10 0 DDAERO COCCNC(=O)[C@H](C)[NH2+]Cc1ccc(Br)cc1 ZINC000042240123 183245519 /nfs/dbraw/zinc/24/55/19/183245519.db2.gz QJQIVWMEQRKFTH-JTQLQIEISA-N 1 0 315.211 1.690 10 0 DDAERO CCC[NH2+]CCN1c2cccc(Br)c2C(=O)C1=O ZINC000042410201 183264915 /nfs/dbraw/zinc/26/49/15/183264915.db2.gz XPGRGOLIQWIVQE-UHFFFAOYSA-N 1 0 311.179 1.978 10 0 DDAERO CC[NH2+]CCCN1c2ccc(Br)cc2C(=O)C1=O ZINC000042410260 183265083 /nfs/dbraw/zinc/26/50/83/183265083.db2.gz AAEXAQLXWCQZRR-UHFFFAOYSA-N 1 0 311.179 1.978 10 0 DDAERO C[C@H](Oc1c(Br)cccc1C[NH3+])C(=O)N(C)C ZINC000042411318 183265556 /nfs/dbraw/zinc/26/55/56/183265556.db2.gz PXPHRDSRFKVRPA-QMMMGPOBSA-N 1 0 301.184 1.763 10 0 DDAERO CNC(=O)[C@@H](C)[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000042341808 183256617 /nfs/dbraw/zinc/25/66/17/183256617.db2.gz IBLYNVRWTTYFAD-SSDOTTSWSA-N 1 0 317.183 1.387 10 0 DDAERO CC(C)NC(=O)CN(C)c1cc(Br)ccc1C[NH3+] ZINC000042609335 183290258 /nfs/dbraw/zinc/29/02/58/183290258.db2.gz QZZXLLIFQPXBCZ-UHFFFAOYSA-N 1 0 314.227 1.869 10 0 DDAERO COCCN([C@H](C)C1CC1)S(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000042689805 183296400 /nfs/dbraw/zinc/29/64/00/183296400.db2.gz XGUUAKCMICGXES-OCCSQVGLSA-N 1 0 304.456 1.205 10 0 DDAERO C[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(C)CC(N)=O ZINC000042953033 183321753 /nfs/dbraw/zinc/32/17/53/183321753.db2.gz CIQXMIKBCJROPZ-UFBFGSQYSA-N 1 0 300.200 1.255 10 0 DDAERO CCN(CC(=O)NC)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000043020676 183329638 /nfs/dbraw/zinc/32/96/38/183329638.db2.gz CGXWRJHLVWVZBE-GFCCVEGCSA-N 1 0 314.227 1.517 10 0 DDAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1F)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043044141 183331961 /nfs/dbraw/zinc/33/19/61/183331961.db2.gz PNYJAMXIVPQAIG-KCPJHIHWSA-N 1 0 314.426 1.723 10 0 DDAERO CCN(CC(F)(F)F)S(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000042781290 183308319 /nfs/dbraw/zinc/30/83/19/183308319.db2.gz BEWCSYMJMCBKJD-SNVBAGLBSA-N 1 0 302.362 1.733 10 0 DDAERO C[C@H]([NH3+])[C@@H](c1ccc(Br)s1)N(C)CC(N)=O ZINC000043259821 183349099 /nfs/dbraw/zinc/34/90/99/183349099.db2.gz IQHPXSYGOBLSQD-WKEGUHRASA-N 1 0 306.229 1.316 10 0 DDAERO CC[C@H]([NH3+])[C@H](c1ccc(Br)s1)N(C)CC(N)=O ZINC000043259815 183349182 /nfs/dbraw/zinc/34/91/82/183349182.db2.gz FNHNVNXAZKZLJR-WRWORJQWSA-N 1 0 320.256 1.706 10 0 DDAERO [NH3+]C[C@@H](c1cc(Br)cs1)N1CCC(O)CC1 ZINC000043284546 183350360 /nfs/dbraw/zinc/35/03/60/183350360.db2.gz VDCVCLGBYJNAAI-JTQLQIEISA-N 1 0 305.241 1.967 10 0 DDAERO CS(=O)(=O)c1ccccc1NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000043588745 183373894 /nfs/dbraw/zinc/37/38/94/183373894.db2.gz QUEJOKIABVARDL-GFCCVEGCSA-N 1 0 310.419 1.808 10 0 DDAERO CO[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(Br)c(F)c1 ZINC000043589582 183374004 /nfs/dbraw/zinc/37/40/04/183374004.db2.gz WJAAPXJRABIMFS-MNOVXSKESA-N 1 0 317.158 1.305 10 0 DDAERO C[NH2+]CCC(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000043600323 183375518 /nfs/dbraw/zinc/37/55/18/183375518.db2.gz ZIGUVGNULWRIRF-UHFFFAOYSA-N 1 0 315.167 1.768 10 0 DDAERO CC(C)CN(CCC[NH3+])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000043417132 183360850 /nfs/dbraw/zinc/36/08/50/183360850.db2.gz MEQLCERUVOKYIV-UHFFFAOYSA-N 1 0 313.467 1.748 10 0 DDAERO CCCC(=O)N[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC000104368526 194003004 /nfs/dbraw/zinc/00/30/04/194003004.db2.gz MLSYLBCACWAGJM-LSDHHAIUSA-N 1 0 309.454 1.768 10 0 DDAERO CCOc1ccccc1CNC(=O)NC[C@H]1CN(C)CCO1 ZINC000104791293 194040626 /nfs/dbraw/zinc/04/06/26/194040626.db2.gz GGELKLZLVIROBG-AWEZNQCLSA-N 1 0 307.394 1.215 10 0 DDAERO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000105801390 194131928 /nfs/dbraw/zinc/13/19/28/194131928.db2.gz SYDSLLYDSDBXGU-HNNXBMFYSA-N 1 0 319.453 1.554 10 0 DDAERO CC[C@H]1CN(C[C@H](O)c2ccc(F)cc2)CC[N@@H+]1CCOC ZINC000105836652 194143214 /nfs/dbraw/zinc/14/32/14/194143214.db2.gz UVUCTFXJDDUZQN-IRXDYDNUSA-N 1 0 310.413 1.902 10 0 DDAERO CCn1cnnc1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000105861915 194149105 /nfs/dbraw/zinc/14/91/05/194149105.db2.gz SKHNBKXHFJVXMU-HNNXBMFYSA-N 1 0 319.453 1.878 10 0 DDAERO Cc1cnn(C[C@@H]2C[N@H+](CCCOCC(F)(F)F)CCO2)c1 ZINC000105892835 194160766 /nfs/dbraw/zinc/16/07/66/194160766.db2.gz WDPUBDHZNMXWJS-ZDUSSCGKSA-N 1 0 321.343 1.861 10 0 DDAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)NCc2ccccc2C)c1 ZINC000105881685 194156251 /nfs/dbraw/zinc/15/62/51/194156251.db2.gz XDLYXCKOCLHCEF-OAHLLOKOSA-N 1 0 300.406 1.794 10 0 DDAERO O[C@H](COCc1cccs1)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000105904233 194166397 /nfs/dbraw/zinc/16/63/97/194166397.db2.gz SENGWJYRNUMNLH-KBPBESRZSA-N 1 0 322.434 1.554 10 0 DDAERO COC(=O)CN(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915739 194167658 /nfs/dbraw/zinc/16/76/58/194167658.db2.gz CXGBWUZENVDGPO-KRWDZBQOSA-N 1 0 320.433 1.537 10 0 DDAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)N1CCCc2ccccc21 ZINC000105932905 194173634 /nfs/dbraw/zinc/17/36/34/194173634.db2.gz 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CS(=O)(=O)CCSc1nc2c(cc1C(N)=[NH2+])CCCC2 ZINC000111004968 194381238 /nfs/dbraw/zinc/38/12/38/194381238.db2.gz MSQNLYVBKDGPJF-UHFFFAOYSA-N 1 0 313.448 1.381 10 0 DDAERO CNC(=O)C1CC[NH+]([C@@H](CC(N)=S)c2ccccc2)CC1 ZINC000055025065 183958451 /nfs/dbraw/zinc/95/84/51/183958451.db2.gz ZGJICSLUBBTDQE-AWEZNQCLSA-N 1 0 305.447 1.862 10 0 DDAERO COCCNC(=O)[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000059514842 184139399 /nfs/dbraw/zinc/13/93/99/184139399.db2.gz NYZFRMRYPGWLDX-SNVBAGLBSA-N 1 0 304.312 1.946 10 0 DDAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2 ZINC000061231871 184166958 /nfs/dbraw/zinc/16/69/58/184166958.db2.gz SNPOIIKKOROYPW-MRVPVSSYSA-N 1 0 311.769 1.855 10 0 DDAERO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]12)c1ccc(Br)cn1 ZINC000061873612 184191200 /nfs/dbraw/zinc/19/12/00/184191200.db2.gz AOTYUIQMGDAZDI-CMPLNLGQSA-N 1 0 310.195 1.811 10 0 DDAERO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1c(N)cccc1F ZINC000061642666 184180381 /nfs/dbraw/zinc/18/03/81/184180381.db2.gz ZZPBSIVVHHOGPN-SNVBAGLBSA-N 1 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WEFYQPOSFRUEMF-UHFFFAOYSA-N 1 0 300.786 1.591 10 0 DDAERO COCC[NH2+]Cc1cc(Cl)ccc1OCC(=O)NC(C)C ZINC000062731004 184251303 /nfs/dbraw/zinc/25/13/03/184251303.db2.gz OFLIFRNVWZFALZ-UHFFFAOYSA-N 1 0 314.813 1.979 10 0 DDAERO CN(Cc1ccc(Cl)cc1)[C@@]1(C[NH3+])CCS(=O)(=O)C1 ZINC000062962541 184262746 /nfs/dbraw/zinc/26/27/46/184262746.db2.gz QZATWKWNZYDZLO-CYBMUJFWSA-N 1 0 302.827 1.288 10 0 DDAERO Nc1ccccc1CS(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062975768 184264104 /nfs/dbraw/zinc/26/41/04/184264104.db2.gz SNJHRKPKJUSGQX-CQSZACIVSA-N 1 0 309.435 1.269 10 0 DDAERO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(Cl)nc(NN)c2)C1 ZINC000062985105 184265087 /nfs/dbraw/zinc/26/50/87/184265087.db2.gz HVIVLOBYMLFZRH-NSHDSACASA-N 1 0 311.817 1.577 10 0 DDAERO CC(C)[NH2+]C[C@@H]1CCCN(S(=O)(=O)C2CCOCC2)C1 ZINC000063138558 184273302 /nfs/dbraw/zinc/27/33/02/184273302.db2.gz DQVPHSMCYWYAIS-ZDUSSCGKSA-N 1 0 304.456 1.205 10 0 DDAERO CCn1cc(Br)cc1C(=O)N[C@@H]1CCC[C@H]1[NH3+] ZINC000063172534 184276033 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CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC000177040334 285271718 /nfs/dbraw/zinc/27/17/18/285271718.db2.gz WFQFVOFPZABAKF-OCCSQVGLSA-N 1 0 307.394 1.341 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(-c3ccccc3)n[nH]2)C[C@@H]1C ZINC000120673467 195212576 /nfs/dbraw/zinc/21/25/76/195212576.db2.gz LOUBQSOLUKDLEZ-LSDHHAIUSA-N 1 0 314.433 1.964 10 0 DDAERO Cn1cc(C[C@@H]2[C@H](OCC3CC3)CC[N@@H+]2[C@H]2CCOC2)cn1 ZINC000248130643 257108164 /nfs/dbraw/zinc/10/81/64/257108164.db2.gz NDVUXHLCMDHYLD-GVDBMIGSSA-N 1 0 305.422 1.621 10 0 DDAERO Cn1cc(C[N@@H+]2C[C@@H]3CN(c4ccsc4)C(=O)[C@@H]3C2)cn1 ZINC000248090434 257109323 /nfs/dbraw/zinc/10/93/23/257109323.db2.gz CBTYFVFAHQMDQR-TZMCWYRMSA-N 1 0 302.403 1.576 10 0 DDAERO COc1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+](C)C)O3)ncn1 ZINC000248053477 257109453 /nfs/dbraw/zinc/10/94/53/257109453.db2.gz XWINPPXAAIBWMM-BBRMVZONSA-N 1 0 306.410 1.565 10 0 DDAERO C[NH+](C)CCN1CCO[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]21 ZINC000248061463 257110227 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DDAERO CN(C)Cc1cc(C[C@@H]2CC[C@H](O)[C@@H](C[NH2+]C3CCC3)O2)no1 ZINC000077262457 257215329 /nfs/dbraw/zinc/21/53/29/257215329.db2.gz PMFSQXUBCBJJAH-BHYGNILZSA-N 1 0 323.437 1.329 10 0 DDAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(C3CC3)C2)C12CCOCC2 ZINC000249002902 286404326 /nfs/dbraw/zinc/40/43/26/286404326.db2.gz NHYOBTHHYYATLQ-AEGPPILISA-N 1 0 308.422 1.314 10 0 DDAERO CCNC(=O)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000186023039 407566016 /nfs/dbraw/zinc/56/60/16/407566016.db2.gz YVRACACHEVZOIM-XQQFMLRXSA-N 1 0 311.426 1.358 10 0 DDAERO COC(=O)c1ccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)nc1 ZINC000068223620 406625076 /nfs/dbraw/zinc/62/50/76/406625076.db2.gz AMAVAJUQXZHHRX-CYBMUJFWSA-N 1 0 307.394 1.574 10 0 DDAERO CSc1cccc(-n2nncc2CN2CCC[NH2+]CC2)c1 ZINC000070461019 406818023 /nfs/dbraw/zinc/81/80/23/406818023.db2.gz AXOQCZAIONTRNJ-UHFFFAOYSA-N 1 0 303.435 1.785 10 0 DDAERO COc1cccc(-c2cc3c(N4CC[C@@H]([NH3+])C4)nccn3n2)c1 ZINC000070459317 406818309 /nfs/dbraw/zinc/81/83/09/406818309.db2.gz QLRKBJGLDCVLHU-CYBMUJFWSA-N 1 0 309.373 1.942 10 0 DDAERO O=C1CCCN1C[C@H](O)C[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000073166843 406888834 /nfs/dbraw/zinc/88/88/34/406888834.db2.gz AOFZDSDWKBNAHY-QGZVFWFLSA-N 1 0 320.408 1.816 10 0 DDAERO C[C@@H]1C[C@@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000075981791 406948341 /nfs/dbraw/zinc/94/83/41/406948341.db2.gz XPWJIQYPQACHRX-OCCSQVGLSA-N 1 0 303.410 1.041 10 0 DDAERO O=S(=O)(c1ccccc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000036520851 406980739 /nfs/dbraw/zinc/98/07/39/406980739.db2.gz PBALDNXUTOWTCG-LLVKDONJSA-N 1 0 300.811 1.809 10 0 DDAERO CC[NH2+]CC(=O)Nc1ccccc1I ZINC000044286755 407021646 /nfs/dbraw/zinc/02/16/46/407021646.db2.gz FZMPPEVDIDQIDV-UHFFFAOYSA-N 1 0 304.131 1.839 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)NC(=O)c1ccco1 ZINC000077730105 407004999 /nfs/dbraw/zinc/00/49/99/407004999.db2.gz YTWFCMRMRQJFDB-QWHCGFSZSA-N 1 0 309.410 1.490 10 0 DDAERO CSC[C@H](CCO)NC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000077776930 407008051 /nfs/dbraw/zinc/00/80/51/407008051.db2.gz PRVMTIGDPSRJHG-QWHCGFSZSA-N 1 0 305.488 1.376 10 0 DDAERO CCNC(=O)CN(CC)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000084891699 407095275 /nfs/dbraw/zinc/09/52/75/407095275.db2.gz NCBSZEMHDAOECZ-ZDUSSCGKSA-N 1 0 300.447 1.130 10 0 DDAERO CC[NH+]1CCC(CCNC(=O)N[C@H]2CCCC[C@@H]2CO)CC1 ZINC000081499484 407077162 /nfs/dbraw/zinc/07/71/62/407077162.db2.gz BIEHHILLTYJROY-CVEARBPZSA-N 1 0 311.470 1.959 10 0 DDAERO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[C@H]1C[NH3+] ZINC000123438731 407328939 /nfs/dbraw/zinc/32/89/39/407328939.db2.gz PHZBVZCTBBLQMA-JTQLQIEISA-N 1 0 301.843 1.783 10 0 DDAERO CC[C@](C)(O)C[NH+]1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000123499295 407330269 /nfs/dbraw/zinc/33/02/69/407330269.db2.gz XEZCWKAKPIOFNW-SFHVURJKSA-N 1 0 304.434 1.843 10 0 DDAERO CCOc1cc(CN2CC[NH+](C[C@@H](O)CC)CC2)ccc1OC ZINC000123530629 407331324 /nfs/dbraw/zinc/33/13/24/407331324.db2.gz IYRBRZWALBTFEL-INIZCTEOSA-N 1 0 322.449 1.982 10 0 DDAERO CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[N@H+](C)CC1 ZINC000105317790 407353851 /nfs/dbraw/zinc/35/38/51/407353851.db2.gz QYAYUASIURPRSG-ZDUSSCGKSA-N 1 0 313.442 1.844 10 0 DDAERO COC(=O)CCNC(=O)CN1CCCC[C@@H]1c1ccc(C)o1 ZINC000124712174 407367369 /nfs/dbraw/zinc/36/73/69/407367369.db2.gz HGCOLYZWCFLBSI-CYBMUJFWSA-N 1 0 308.378 1.794 10 0 DDAERO CCCC[C@@H](C(=O)OC)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000105914385 407357499 /nfs/dbraw/zinc/35/74/99/407357499.db2.gz YHZPLFIBILROJO-CABCVRRESA-N 1 0 300.443 1.761 10 0 DDAERO C[C@@H](C[NH3+])N(C)C(=O)C[C@H](C)S(=O)(=O)c1ccc(F)cc1 ZINC000237430448 286824997 /nfs/dbraw/zinc/82/49/97/286824997.db2.gz FYNWNVBCYUBMSW-QWRGUYRKSA-N 1 0 316.398 1.184 10 0 DDAERO CO[C@@H](C)CC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000109291650 407396961 /nfs/dbraw/zinc/39/69/61/407396961.db2.gz ABOVVFHSPLSEBC-AWEZNQCLSA-N 1 0 308.426 1.231 10 0 DDAERO CC[C@H]1CN(c2ccc3nccnc3n2)CC[N@@H+]1C[C@@H](C)O ZINC000112080330 407421263 /nfs/dbraw/zinc/42/12/63/407421263.db2.gz LBIXCAVRFLDFIX-OLZOCXBDSA-N 1 0 301.394 1.306 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)ccc2OC)C1 ZINC000127115711 407428479 /nfs/dbraw/zinc/42/84/79/407428479.db2.gz JZVQOIAQTWTPDX-GFCCVEGCSA-N 1 0 323.368 1.373 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC000185678270 407476642 /nfs/dbraw/zinc/47/66/42/407476642.db2.gz DPERADVVDIWOOW-SWLSCSKDSA-N 1 0 311.389 1.780 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000113227081 407478707 /nfs/dbraw/zinc/47/87/07/407478707.db2.gz JXXUEAHDOFIIMO-CZUORRHYSA-N 1 0 315.417 1.697 10 0 DDAERO Cc1nn(CC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c(C)c1Cl ZINC000113232982 407481442 /nfs/dbraw/zinc/48/14/42/407481442.db2.gz SUJABJCTRHVKAR-GXFFZTMASA-N 1 0 310.829 1.848 10 0 DDAERO CSCc1noc(CCC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000178521883 407482391 /nfs/dbraw/zinc/48/23/91/407482391.db2.gz NWHNZNRWKKBYDE-GFCCVEGCSA-N 1 0 324.450 1.562 10 0 DDAERO CN(C)C(=O)[C@@H]1C[N@H+](Cc2cccc(Cl)c2F)C[C@H]1CO ZINC000257187830 407483252 /nfs/dbraw/zinc/48/32/52/407483252.db2.gz CIKVAERAYSUVBA-NWDGAFQWSA-N 1 0 314.788 1.608 10 0 DDAERO C[C@@H](C1CC1)N(C(=O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C)C1CC1 ZINC000113270768 407484047 /nfs/dbraw/zinc/48/40/47/407484047.db2.gz GIIVGTIGJFCYQO-JKIFEVAISA-N 1 0 305.466 1.944 10 0 DDAERO COc1ccccc1CNC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113271154 407485534 /nfs/dbraw/zinc/48/55/34/407485534.db2.gz LJNCDKPSGGIJRE-GOEBONIOSA-N 1 0 317.433 1.480 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCCOc1ccccc1 ZINC000113271950 407487700 /nfs/dbraw/zinc/48/77/00/407487700.db2.gz MCFFTXDXZDOOQL-JKSUJKDBSA-N 1 0 317.433 1.350 10 0 DDAERO Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)o1 ZINC000185561206 407452185 /nfs/dbraw/zinc/45/21/85/407452185.db2.gz JOBIVTOLVKXXIJ-DZGCQCFKSA-N 1 0 322.453 1.974 10 0 DDAERO COc1ccc(C(C)(C)C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000152214888 407587075 /nfs/dbraw/zinc/58/70/75/407587075.db2.gz QRBDNQHTVQKGMX-MRXNPFEDSA-N 1 0 320.433 1.762 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)NCc2nncn2-c2ccccc2)C1 ZINC000170830628 407522029 /nfs/dbraw/zinc/52/20/29/407522029.db2.gz WWGGCLILFRGFFR-AWEZNQCLSA-N 1 0 314.393 1.113 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)c2cncn2-c2ccc(F)cc2)C1 ZINC000170858006 407532272 /nfs/dbraw/zinc/53/22/72/407532272.db2.gz JUZNSIHNABPAHC-AWEZNQCLSA-N 1 0 302.353 1.788 10 0 DDAERO O=C(c1csc(-c2cnccn2)n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000170877311 407540478 /nfs/dbraw/zinc/54/04/78/407540478.db2.gz WIISRSKBKHQJPD-NSHDSACASA-N 1 0 315.402 1.520 10 0 DDAERO CCOc1cc(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1OC ZINC000114602235 407591002 /nfs/dbraw/zinc/59/10/02/407591002.db2.gz UDMXVDXCHYBNKU-CQSZACIVSA-N 1 0 321.421 1.939 10 0 DDAERO C[C@H]1CN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C[C@H]1[NH3+] ZINC000261594628 407544887 /nfs/dbraw/zinc/54/48/87/407544887.db2.gz AGFWGXBEFQFGPR-GZMMTYOYSA-N 1 0 324.324 1.553 10 0 DDAERO Cc1ccc(S(=O)(=O)N(C)[C@H]2CCC[NH2+]CC2)cc1F ZINC000226464469 407616964 /nfs/dbraw/zinc/61/69/64/407616964.db2.gz RFGVOBKIQDQBJZ-LBPRGKRZSA-N 1 0 300.399 1.897 10 0 DDAERO CC(C)[C@@H](C)NC(=O)CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261817067 407626058 /nfs/dbraw/zinc/62/60/58/407626058.db2.gz RZMHHXCQOALSJX-OIISXLGYSA-N 1 0 303.450 1.821 10 0 DDAERO [NH3+][C@H]1CC[C@H](C(=O)NCc2nccn2CCc2ccccc2)C1 ZINC000178853266 407626697 /nfs/dbraw/zinc/62/66/97/407626697.db2.gz VMRCJCHVDFQTNF-HOTGVXAUSA-N 1 0 312.417 1.869 10 0 DDAERO [NH3+][C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2)C1CCOCC1 ZINC000261899219 407660465 /nfs/dbraw/zinc/66/04/65/407660465.db2.gz WHZZABIIKGRGTF-OAHLLOKOSA-N 1 0 303.362 1.264 10 0 DDAERO C[C@H](NC(=O)C1([NH3+])CCOCC1)c1noc(-c2ccccc2)n1 ZINC000261916404 407669265 /nfs/dbraw/zinc/66/92/65/407669265.db2.gz UKZZYOOUKXKMTG-NSHDSACASA-N 1 0 316.361 1.422 10 0 DDAERO CCO[C@@H]1C[C@H]([NH2+]Cc2nnc3n2CCCC3)C12CCOCC2 ZINC000186504435 407686628 /nfs/dbraw/zinc/68/66/28/407686628.db2.gz FVKJEGNXWIBXFQ-UONOGXRCSA-N 1 0 320.437 1.678 10 0 DDAERO Cc1cccc(C)c1OC[C@@H](C)NC(=O)C1(C[NH3+])CCOCC1 ZINC000261988449 407704364 /nfs/dbraw/zinc/70/43/64/407704364.db2.gz SJRCOPRAXVSOBB-OAHLLOKOSA-N 1 0 320.433 1.942 10 0 DDAERO COc1ccc(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1Cl ZINC000234963592 407715938 /nfs/dbraw/zinc/71/59/38/407715938.db2.gz LIIUXGGYPDYUJB-KWQFWETISA-N 1 0 304.799 1.316 10 0 DDAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOC1=O ZINC000171617985 407719039 /nfs/dbraw/zinc/71/90/39/407719039.db2.gz NQULMVZYMYRODW-HNNXBMFYSA-N 1 0 319.405 1.118 10 0 DDAERO O[C@@H](C[N@@H+]1CCC[C@H](n2cncn2)C1)c1c(F)cccc1F ZINC000171619453 407720753 /nfs/dbraw/zinc/72/07/53/407720753.db2.gz JRUUZSJBNDJPCZ-FZMZJTMJSA-N 1 0 308.332 1.927 10 0 DDAERO C[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2)C[C@@H]1[NH3+] ZINC000235344404 407720994 /nfs/dbraw/zinc/72/09/94/407720994.db2.gz DLVRVACPRYTGIY-SKDRFNHKSA-N 1 0 312.211 1.667 10 0 DDAERO CCC[C@@H](C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1)[NH+](C)C ZINC000179149357 407736729 /nfs/dbraw/zinc/73/67/29/407736729.db2.gz DCLBHIDPOZTUHA-STQMWFEESA-N 1 0 307.442 1.563 10 0 DDAERO CCc1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000179156845 407739772 /nfs/dbraw/zinc/73/97/72/407739772.db2.gz GDUUHKYTXUVPHG-AWEZNQCLSA-N 1 0 319.380 1.633 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(-n3cccc3)c2)CCO1 ZINC000116784444 407775297 /nfs/dbraw/zinc/77/52/97/407775297.db2.gz NMMQGVCEEAVYOV-QGZVFWFLSA-N 1 0 313.401 1.880 10 0 DDAERO COC[C@H]([NH3+])C(=O)N[C@@H](C)COc1ccc(C(C)(C)C)cc1 ZINC000262275402 407782482 /nfs/dbraw/zinc/78/24/82/407782482.db2.gz KZRSMGDOWZKDFB-WFASDCNBSA-N 1 0 308.422 1.841 10 0 DDAERO CCO[C@H](C)c1noc(CN(C)C(=O)[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000262287896 407783671 /nfs/dbraw/zinc/78/36/71/407783671.db2.gz MUOBHRPPWBNUHU-WOPDTQHZSA-N 1 0 310.398 1.643 10 0 DDAERO CC(C)c1nc2c(n1C)CCN(C(=O)C1(C[NH3+])CCOCC1)C2 ZINC000262295744 407788698 /nfs/dbraw/zinc/78/86/98/407788698.db2.gz PCMQKDLIZSAEDJ-UHFFFAOYSA-N 1 0 320.437 1.184 10 0 DDAERO COC[C@H]([NH3+])C(=O)NCc1ccc(OC)c(Br)c1 ZINC000262324873 407799634 /nfs/dbraw/zinc/79/96/34/407799634.db2.gz QWIVMJXVKMPQDX-JTQLQIEISA-N 1 0 317.183 1.048 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N[C@H](COc1ccccc1)c1ccccc1 ZINC000262328183 407800963 /nfs/dbraw/zinc/80/09/63/407800963.db2.gz RIEYLLCFUSGXKZ-IAGOWNOFSA-N 1 0 314.385 1.897 10 0 DDAERO Cc1ccc(CCNC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000117052252 407809776 /nfs/dbraw/zinc/80/97/76/407809776.db2.gz KFANPLIRYUREBB-MRXNPFEDSA-N 1 0 305.422 1.510 10 0 DDAERO [NH3+][C@@H]1CC[C@@H]2CN(CC(=O)NCCc3ccc(F)cc3)C[C@H]12 ZINC000262393448 407821874 /nfs/dbraw/zinc/82/18/74/407821874.db2.gz BNTOJAXNZZNRDW-VNQPRFMTSA-N 1 0 305.397 1.154 10 0 DDAERO CCOc1ccccc1NC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262404227 407824817 /nfs/dbraw/zinc/82/48/17/407824817.db2.gz COTKYVRCMQUXEF-MELADBBJSA-N 1 0 303.406 1.693 10 0 DDAERO CN(C)S(=O)(=O)c1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000262509491 407852589 /nfs/dbraw/zinc/85/25/89/407852589.db2.gz MVQZGEXWURSBCV-BPUTZDHNSA-N 1 0 323.462 1.106 10 0 DDAERO CN(CC(=O)NCCOc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000262546759 407862822 /nfs/dbraw/zinc/86/28/22/407862822.db2.gz RVEQBRYLXSWVQU-OAHLLOKOSA-N 1 0 305.422 1.256 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@@H](OCCO)C1 ZINC000187520643 407864299 /nfs/dbraw/zinc/86/42/99/407864299.db2.gz CZBPTPNVNZKSNL-HUUCEWRRSA-N 1 0 315.458 1.146 10 0 DDAERO CC[C@@H]1CN([C@H](C(=O)OC)c2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000117879953 407866630 /nfs/dbraw/zinc/86/66/30/407866630.db2.gz IZCBTYGRAWXFOW-OIISXLGYSA-N 1 0 320.433 1.678 10 0 DDAERO CCCC(=O)N[C@@H]1CCCN(C(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000262618662 407882553 /nfs/dbraw/zinc/88/25/53/407882553.db2.gz NOAGINDDCXFDOU-HRCADAONSA-N 1 0 323.481 1.920 10 0 DDAERO CNC(=O)Cn1ccc2ccc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)cc21 ZINC000188488310 407949228 /nfs/dbraw/zinc/94/92/28/407949228.db2.gz OPYKYFOXXZBIMU-WCQYABFASA-N 1 0 318.352 1.026 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2cc(F)c(F)cc2F)CCO1 ZINC000118819794 407951351 /nfs/dbraw/zinc/95/13/51/407951351.db2.gz UWMPAVKRZOVOHU-SECBINFHSA-N 1 0 317.311 1.898 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(CCC(=O)Nc2cccc(F)c2)CC1 ZINC000118857808 407957724 /nfs/dbraw/zinc/95/77/24/407957724.db2.gz FRUJKLCFBQSYOP-INIZCTEOSA-N 1 0 323.412 1.543 10 0 DDAERO CC[C@@H]1CN(C(=O)CCc2cnn(C)c2C)CC[N@@H+]1CCOC ZINC000135102409 407974374 /nfs/dbraw/zinc/97/43/74/407974374.db2.gz ILZWXYVRVWRGCV-MRXNPFEDSA-N 1 0 322.453 1.230 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccn(C)c1=O ZINC000245430976 407979407 /nfs/dbraw/zinc/97/94/07/407979407.db2.gz MIEYMMBLSOXZDS-OLZOCXBDSA-N 1 0 304.394 1.476 10 0 DDAERO CC(C)[NH+]1CCC(C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000245445283 407982162 /nfs/dbraw/zinc/98/21/62/407982162.db2.gz YSKZZZRJWLVOLT-GJZGRUSLSA-N 1 0 311.470 1.020 10 0 DDAERO COCCOc1ccc(C[N@@H+]2CCC[C@@H](NC(C)=O)C2)cc1 ZINC000153928677 407931902 /nfs/dbraw/zinc/93/19/02/407931902.db2.gz AICJBLQLJIJIQO-MRXNPFEDSA-N 1 0 306.406 1.812 10 0 DDAERO COCCOCCNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000154367885 408026945 /nfs/dbraw/zinc/02/69/45/408026945.db2.gz IKCMVWOLUGEFIH-CQSZACIVSA-N 1 0 301.431 1.069 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1csc(NC(C)=O)n1 ZINC000175024409 408033741 /nfs/dbraw/zinc/03/37/41/408033741.db2.gz RBPWVDBPAMUAHQ-VXGBXAGGSA-N 1 0 322.434 1.800 10 0 DDAERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccc(Br)cn2)n1 ZINC000263145326 408036893 /nfs/dbraw/zinc/03/68/93/408036893.db2.gz CPLWVCJPGQFYNN-JTQLQIEISA-N 1 0 324.182 1.470 10 0 DDAERO CN(Cc1nc([C@H]2C[NH2+]CCN2C)no1)Cc1ccccc1 ZINC000263161408 408042793 /nfs/dbraw/zinc/04/27/93/408042793.db2.gz DWEVOFALQAXTAN-CQSZACIVSA-N 1 0 301.394 1.278 10 0 DDAERO Cc1ccn(C)c(=O)c1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000245682806 408043029 /nfs/dbraw/zinc/04/30/29/408043029.db2.gz AAAAXCVCVDLAGL-CHWSQXEVSA-N 1 0 304.394 1.394 10 0 DDAERO Cc1cc(=O)n(C)cc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000245708628 408049614 /nfs/dbraw/zinc/04/96/14/408049614.db2.gz CCFVZUPOBVLWFW-CHWSQXEVSA-N 1 0 304.394 1.394 10 0 DDAERO CC(C)(C)n1ncc2c1ncnc2N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245705277 408050658 /nfs/dbraw/zinc/05/06/58/408050658.db2.gz DEEAZGLODGGKTE-LBPRGKRZSA-N 1 0 300.410 1.866 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)Cn1ccnc1C ZINC000245458771 407989480 /nfs/dbraw/zinc/98/94/80/407989480.db2.gz DBHBMKPEWCDIPS-GOEBONIOSA-N 1 0 321.469 1.953 10 0 DDAERO C[C@@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)c1nc(-c2ccccc2)no1 ZINC000188983458 407990306 /nfs/dbraw/zinc/99/03/06/407990306.db2.gz DCKDVDHKCHAPDY-WCFLWFBJSA-N 1 0 318.352 1.656 10 0 DDAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1c[nH]nc1-c1c(F)cccc1F ZINC000263251846 408075282 /nfs/dbraw/zinc/07/52/82/408075282.db2.gz QAQNDDRTLWUOPS-NOZJJQNGSA-N 1 0 308.332 1.025 10 0 DDAERO CCOC(=O)[C@@H](CC(C)C)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000182137777 408078207 /nfs/dbraw/zinc/07/82/07/408078207.db2.gz DDYBXSAWBDNBJL-HUUCEWRRSA-N 1 0 300.443 1.617 10 0 DDAERO COc1ccc(Cl)cc1Cc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263281147 408086935 /nfs/dbraw/zinc/08/69/35/408086935.db2.gz UHGSMHWLIBGEBZ-GFCCVEGCSA-N 1 0 322.796 1.899 10 0 DDAERO CCC[C@@H](C(=O)NCCCNC(=O)c1cccc(F)c1)[NH+](C)C ZINC000154887487 408098519 /nfs/dbraw/zinc/09/85/19/408098519.db2.gz XEINBIXQYDXSSR-HNNXBMFYSA-N 1 0 323.412 1.792 10 0 DDAERO O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245912281 408099491 /nfs/dbraw/zinc/09/94/91/408099491.db2.gz JPEYJTYLJIBQNC-IRXDYDNUSA-N 1 0 317.408 1.925 10 0 DDAERO COc1cc2[nH]c(CCCNC(=O)C3C[NH2+]C3)cc2c(OC)c1 ZINC000263317513 408104494 /nfs/dbraw/zinc/10/44/94/408104494.db2.gz QPLHEUGRCQDFAB-UHFFFAOYSA-N 1 0 317.389 1.453 10 0 DDAERO Cc1cc(F)cc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000246085812 408139373 /nfs/dbraw/zinc/13/93/73/408139373.db2.gz ZLZOZKFEKYGJBT-DOMZBBRYSA-N 1 0 321.396 1.918 10 0 DDAERO CC(C)Cn1ccnc1CNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000175470268 408139795 /nfs/dbraw/zinc/13/97/95/408139795.db2.gz HIKMLILJAIIBPE-CQSZACIVSA-N 1 0 323.441 1.011 10 0 DDAERO COC[C@@H](C)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000246118481 408146538 /nfs/dbraw/zinc/14/65/38/408146538.db2.gz KTYFTXNYYMORRB-OAGGEKHMSA-N 1 0 311.470 1.286 10 0 DDAERO CCO[C@@H]1C[C@@H]([N@H+](C)CCC(=O)N2CCOCC2)C12CCCC2 ZINC000121242379 408170089 /nfs/dbraw/zinc/17/00/89/408170089.db2.gz JSUFRVPPEJBBBI-HZPDHXFCSA-N 1 0 324.465 1.905 10 0 DDAERO Cc1ccc(F)cc1NC(=O)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000150778981 408200616 /nfs/dbraw/zinc/20/06/16/408200616.db2.gz NDNCOWFXLOVKOO-WFASDCNBSA-N 1 0 321.396 1.918 10 0 DDAERO Cc1nc([C@H]2CN(CC3CCC4(CC3)OCCO4)CCO2)n[nH]1 ZINC000190254205 408201045 /nfs/dbraw/zinc/20/10/45/408201045.db2.gz SAYNKMFHAVFHHF-CQSZACIVSA-N 1 0 322.409 1.420 10 0 DDAERO CCNC(=O)C(C)(C)CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246338867 408224222 /nfs/dbraw/zinc/22/42/22/408224222.db2.gz LRFUBYZZYQMPRJ-OLZOCXBDSA-N 1 0 312.458 1.177 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccnc(OC)c1 ZINC000246373675 408234305 /nfs/dbraw/zinc/23/43/05/408234305.db2.gz QJJLYIVSVVJLJG-GJZGRUSLSA-N 1 0 318.421 1.858 10 0 DDAERO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]2c2cnn(C)c2)C[N@@H+]1C1CC1 ZINC000246740052 408330104 /nfs/dbraw/zinc/33/01/04/408330104.db2.gz YLIUJUSTAUTHHH-XPKDYRNWSA-N 1 0 317.437 1.892 10 0 DDAERO C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1N1CCOCC1 ZINC000246557266 408290326 /nfs/dbraw/zinc/29/03/26/408290326.db2.gz UOLZRBPHRVFBTR-NJAFHUGGSA-N 1 0 304.434 1.243 10 0 DDAERO C[C@@H]1C[N@H+](Cc2cn3ccccc3n2)C[C@H]1N1CCOCC1 ZINC000246557649 408291262 /nfs/dbraw/zinc/29/12/62/408291262.db2.gz UQPFPXGHRCGGDI-GDBMZVCRSA-N 1 0 300.406 1.487 10 0 DDAERO COCCCC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190651734 408295023 /nfs/dbraw/zinc/29/50/23/408295023.db2.gz QKRZSONWPJZKSE-MRXNPFEDSA-N 1 0 305.422 1.789 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)C1 ZINC000246814547 408348201 /nfs/dbraw/zinc/34/82/01/408348201.db2.gz VFJDUKXJNGWMCP-ZIAGYGMSSA-N 1 0 305.426 1.783 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)C1 ZINC000246814519 408348801 /nfs/dbraw/zinc/34/88/01/408348801.db2.gz VFJDUKXJNGWMCP-KGLIPLIRSA-N 1 0 305.426 1.783 10 0 DDAERO CCCCO[C@H](C)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000246809183 408346063 /nfs/dbraw/zinc/34/60/63/408346063.db2.gz KLOPAWSQEFDTBF-KFWWJZLASA-N 1 0 300.443 1.495 10 0 DDAERO NC(=O)c1cc(NC(=O)C2(C[NH3+])CCOCC2)ccc1Cl ZINC000165999396 162163383 /nfs/dbraw/zinc/16/33/83/162163383.db2.gz VDHRYSIKESMDJW-UHFFFAOYSA-N 1 0 311.769 1.133 10 0 DDAERO Cc1nc(C[C@H]2CCCN(C(=O)NC3CC[NH+](C)CC3)C2)no1 ZINC000170882841 162197474 /nfs/dbraw/zinc/19/74/74/162197474.db2.gz SCWNAZKGFNHVKK-CYBMUJFWSA-N 1 0 321.425 1.436 10 0 DDAERO CN(C(=O)c1cccc2c1OCC(=O)N2)C1CC[NH+](C)CC1 ZINC000170915889 162198440 /nfs/dbraw/zinc/19/84/40/162198440.db2.gz XDRHFLBHAAHIIZ-UHFFFAOYSA-N 1 0 303.362 1.184 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCc1nc(C)no1 ZINC000246865394 408357325 /nfs/dbraw/zinc/35/73/25/408357325.db2.gz DOJMFQHKYJPZHI-KBPBESRZSA-N 1 0 306.410 1.786 10 0 DDAERO COc1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000171807530 162242975 /nfs/dbraw/zinc/24/29/75/162242975.db2.gz YVUVACKHVZUTRD-AWEZNQCLSA-N 1 0 319.405 1.693 10 0 DDAERO O=C(NCCOCc1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000176446336 408369811 /nfs/dbraw/zinc/36/98/11/408369811.db2.gz SJFFBERRDJIXPA-MRXNPFEDSA-N 1 0 303.406 1.693 10 0 DDAERO CC1CC[NH+](CCNC(=O)N2CCC[C@H](n3cncn3)C2)CC1 ZINC000173845543 162370836 /nfs/dbraw/zinc/37/08/36/162370836.db2.gz UEUJTWMTRVHKOU-HNNXBMFYSA-N 1 0 320.441 1.357 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000246952944 408372655 /nfs/dbraw/zinc/37/26/55/408372655.db2.gz DETKDYMOJUIUSK-INWMFGNUSA-N 1 0 314.385 1.463 10 0 DDAERO O[C@H](C[N@@H+]1CC[C@H](N2CCOCC2)C1)c1ccc(F)cc1F ZINC000173945243 162379840 /nfs/dbraw/zinc/37/98/40/162379840.db2.gz JCTBGLISPTWZRS-XJKSGUPXSA-N 1 0 312.360 1.405 10 0 DDAERO C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173943976 162381015 /nfs/dbraw/zinc/38/10/15/162381015.db2.gz YDOMHLAMDRYPSI-WBVHZDCISA-N 1 0 323.481 1.478 10 0 DDAERO COc1cccc(OCC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000246962764 408375789 /nfs/dbraw/zinc/37/57/89/408375789.db2.gz FWBOIMIZQYKAQR-CZUORRHYSA-N 1 0 306.406 1.919 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2nccn2C(F)F)C[C@H]1C ZINC000247377707 408458708 /nfs/dbraw/zinc/45/87/08/408458708.db2.gz VLMWLGJYLITISS-GFCCVEGCSA-N 1 0 302.369 1.821 10 0 DDAERO CN(CC(=O)N1CC[C@@H]([NH+](C)C)C1)C(=O)OCc1ccccc1 ZINC000191222934 408391199 /nfs/dbraw/zinc/39/11/99/408391199.db2.gz SMBLZWSUWJJWML-OAHLLOKOSA-N 1 0 319.405 1.418 10 0 DDAERO C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247138760 408414596 /nfs/dbraw/zinc/41/45/96/408414596.db2.gz JQRBFFOJYWMIFW-AGIUHOORSA-N 1 0 311.426 1.595 10 0 DDAERO Cc1ccc(CNC(=O)CN2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000247141885 408414892 /nfs/dbraw/zinc/41/48/92/408414892.db2.gz JSRKFBBOIQPVCF-NVXWUHKLSA-N 1 0 301.434 1.780 10 0 DDAERO Cc1ccccc1C(=O)NCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247141908 408415962 /nfs/dbraw/zinc/41/59/62/408415962.db2.gz JSSPJIACSGYHFE-CABCVRRESA-N 1 0 315.417 1.420 10 0 DDAERO Cc1noc2ncc(C(=O)N3C[C@H]4CCC[N@H+]4C[C@H]3C)cc12 ZINC000247150220 408418529 /nfs/dbraw/zinc/41/85/29/408418529.db2.gz KBBBCRQBNRMLMC-ZWNOBZJWSA-N 1 0 300.362 1.840 10 0 DDAERO O=S(=O)(c1cc(F)c(F)cc1F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247235264 408433612 /nfs/dbraw/zinc/43/36/12/408433612.db2.gz DHOVQXWSJFVLOL-VIFPVBQESA-N 1 0 320.336 1.573 10 0 DDAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000176762513 408436115 /nfs/dbraw/zinc/43/61/15/408436115.db2.gz UAIFHYHYDSIZQD-GDBMZVCRSA-N 1 0 315.417 1.039 10 0 DDAERO CCNC(=O)NC1(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CCCC1 ZINC000247527120 408486368 /nfs/dbraw/zinc/48/63/68/408486368.db2.gz ZMZSATOQMOKZEW-ZIAGYGMSSA-N 1 0 324.469 1.463 10 0 DDAERO CCNC(=O)NC1(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CCCC1 ZINC000247527114 408486620 /nfs/dbraw/zinc/48/66/20/408486620.db2.gz ZMZSATOQMOKZEW-KGLIPLIRSA-N 1 0 324.469 1.463 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@@H](O)COCc1ccccc1 ZINC000247814359 408511797 /nfs/dbraw/zinc/51/17/97/408511797.db2.gz VVDXCZQGDJJXTG-ZWKOTPCHSA-N 1 0 306.450 1.980 10 0 DDAERO CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247954882 408520429 /nfs/dbraw/zinc/52/04/29/408520429.db2.gz FKHDLYCBEZLXBI-YQQAZPJKSA-N 1 0 312.454 1.545 10 0 DDAERO CCN1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)CC1 ZINC000248003140 408525977 /nfs/dbraw/zinc/52/59/77/408525977.db2.gz KPHVFIVATCJMFP-XYJFISCASA-N 1 0 323.481 1.166 10 0 DDAERO CCCC[C@@H](C(=O)OC)N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000247400336 408464505 /nfs/dbraw/zinc/46/45/05/408464505.db2.gz YHZPLFIBILROJO-GJZGRUSLSA-N 1 0 300.443 1.761 10 0 DDAERO COc1ncccc1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000176894906 408469055 /nfs/dbraw/zinc/46/90/55/408469055.db2.gz KAXKEHBWRFQMOS-ZDUSSCGKSA-N 1 0 321.421 1.255 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(F)cc1 ZINC000176900561 408470839 /nfs/dbraw/zinc/47/08/39/408470839.db2.gz VFYCMAFNQKIWIN-AWEZNQCLSA-N 1 0 307.369 1.707 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000248623738 408601312 /nfs/dbraw/zinc/60/13/12/408601312.db2.gz NCDATSCXHPJZER-UONOGXRCSA-N 1 0 322.384 1.136 10 0 DDAERO C[N@H+](CCNC(=O)N[C@H]1CCCn2ncnc21)C1CCCC1 ZINC000177352443 408588017 /nfs/dbraw/zinc/58/80/17/408588017.db2.gz PXKHFGWUPAHHCM-ZDUSSCGKSA-N 1 0 306.414 1.287 10 0 DDAERO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)N1CCc2sccc2C1 ZINC000177754463 408704108 /nfs/dbraw/zinc/70/41/08/408704108.db2.gz HVLFEIGUNZIQEN-OAHLLOKOSA-N 1 0 319.474 1.803 10 0 DDAERO CC(C)[N@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@@H](C)C1 ZINC000193536233 408725976 /nfs/dbraw/zinc/72/59/76/408725976.db2.gz DAJMYSJRGGTUSG-JQWIXIFHSA-N 1 0 324.812 1.518 10 0 DDAERO OC[C@H]1C[C@@H](O)C[N@@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000184716200 408674510 /nfs/dbraw/zinc/67/45/10/408674510.db2.gz RBDOTRSXAUPESY-CHWSQXEVSA-N 1 0 323.780 1.360 10 0 DDAERO CCC[C@H](C(=O)NCCc1cccc(C(=O)NC)c1)[NH+](C)C ZINC000162253368 408681571 /nfs/dbraw/zinc/68/15/71/408681571.db2.gz FNQHRPZWMNBEKV-OAHLLOKOSA-N 1 0 305.422 1.435 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(F)c1 ZINC000249163112 408701487 /nfs/dbraw/zinc/70/14/87/408701487.db2.gz JQPJNFREWPFTLW-FZMZJTMJSA-N 1 0 305.353 1.459 10 0 DDAERO Cc1ccc(Cl)c(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000177971761 408748103 /nfs/dbraw/zinc/74/81/03/408748103.db2.gz PCIZRQYGSKICCF-GFCCVEGCSA-N 1 0 321.808 1.894 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCCNc2ccc(C)cn2)C1 ZINC000194149559 408767676 /nfs/dbraw/zinc/76/76/76/408767676.db2.gz JIBUPHYNCBFYQP-OAHLLOKOSA-N 1 0 319.453 1.976 10 0 DDAERO FC(F)C(F)(F)COCC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000189319043 163095359 /nfs/dbraw/zinc/09/53/59/163095359.db2.gz DAPNOZSFBVRHQO-NSHDSACASA-N 1 0 324.322 1.907 10 0 DDAERO C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000190783651 163158836 /nfs/dbraw/zinc/15/88/36/163158836.db2.gz NGNFKQUWELXLCG-WMLDXEAASA-N 1 0 323.481 1.476 10 0 DDAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000193376373 163254180 /nfs/dbraw/zinc/25/41/80/163254180.db2.gz DUQZHDSRQVPBAW-LSDHHAIUSA-N 1 0 310.442 1.655 10 0 DDAERO CCCCOC[C@@H](O)C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000193378469 163254242 /nfs/dbraw/zinc/25/42/42/163254242.db2.gz AJDIWDPJHXMYDC-INIZCTEOSA-N 1 0 322.453 1.555 10 0 DDAERO CC(=O)c1cccc(O[C@H](C)C(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000194599731 163288464 /nfs/dbraw/zinc/28/84/64/163288464.db2.gz QEMCNUDHUPPBEI-CJNGLKHVSA-N 1 0 320.389 1.103 10 0 DDAERO CCc1csc([C@H]2CCC[N@H+](CCCC(=O)NC(N)=O)C2)n1 ZINC000195384168 163319952 /nfs/dbraw/zinc/31/99/52/163319952.db2.gz OOANPEQSFCAMBU-NSHDSACASA-N 1 0 324.450 1.860 10 0 DDAERO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247218098 287002763 /nfs/dbraw/zinc/00/27/63/287002763.db2.gz 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301.390 1.484 10 0 DDAERO Cc1n[nH]cc1CCCNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000130783525 196109113 /nfs/dbraw/zinc/10/91/13/196109113.db2.gz BAKAHWBKTZHVSD-SWLSCSKDSA-N 1 0 307.442 1.679 10 0 DDAERO O=S(=O)(NC[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000133756104 196334152 /nfs/dbraw/zinc/33/41/52/196334152.db2.gz PAXXXCLXMVMINW-SECBINFHSA-N 1 0 319.224 1.337 10 0 DDAERO COCCOc1ccc(C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])cc1 ZINC000261708223 292603244 /nfs/dbraw/zinc/60/32/44/292603244.db2.gz GCBNUDICPFBOTI-ZFWWWQNUSA-N 1 0 306.406 1.911 10 0 DDAERO C[C@@H]1CC(CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C[C@@H](C)O1 ZINC000366998793 418550196 /nfs/dbraw/zinc/55/01/96/418550196.db2.gz SHSDRORRIJIHSC-NFAWXSAZSA-N 1 0 313.442 1.162 10 0 DDAERO Cc1ccnc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)c1Br ZINC000300248717 418588393 /nfs/dbraw/zinc/58/83/93/418588393.db2.gz FAZJZELFDDDDGX-NXEZZACHSA-N 1 0 300.200 1.705 10 0 DDAERO CC[N@@H+]1CC[C@H](NCc2c(Br)c(C)nn2C)C1 ZINC000389550177 418749881 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CC(C)(C)[C@@H](O)C[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000634719870 422583511 /nfs/dbraw/zinc/58/35/11/422583511.db2.gz ATRNOFPMJBLSSL-FUHWJXTLSA-N 1 0 306.450 1.620 10 0 DDAERO COC(=O)N1CCC([C@H](C)[NH2+]C[C@H](O)COC(C)(C)C)CC1 ZINC000186377952 263399044 /nfs/dbraw/zinc/39/90/44/263399044.db2.gz QBUFYZAPOHPCGB-JSGCOSHPSA-N 1 0 316.442 1.619 10 0 DDAERO C[C@H]1CC(C[NH2+]Cc2ccc(S(N)(=O)=O)o2)C[C@H](C)O1 ZINC000639135142 423325072 /nfs/dbraw/zinc/32/50/72/423325072.db2.gz HANHAGYTYAACNY-UWVGGRQHSA-N 1 0 302.396 1.220 10 0 DDAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1cncc(Br)c1 ZINC000658242571 424617256 /nfs/dbraw/zinc/61/72/56/424617256.db2.gz SKRYNTUONAPTEW-VHSXEESVSA-N 1 0 312.211 1.973 10 0 DDAERO CN(C)C(=O)CC1CCN(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)CC1 ZINC000341619935 271141341 /nfs/dbraw/zinc/14/13/41/271141341.db2.gz SZLCWXYHGIDNOO-GJZGRUSLSA-N 1 0 324.469 1.369 10 0 DDAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCO[C@@H](c3nccs3)C2)C1 ZINC000341629923 271146402 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CC(C)C[C@@H](C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)N1CCCCC1=O ZINC000261861966 278950747 /nfs/dbraw/zinc/95/07/47/278950747.db2.gz NGEKJUNSOQODHX-LSDHHAIUSA-N 1 0 323.481 1.999 10 0 DDAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)Nc2nc(C)c(C)s2)c1 ZINC000105881893 279033661 /nfs/dbraw/zinc/03/36/61/279033661.db2.gz SYQJHVYLNKEFAF-LLVKDONJSA-N 1 0 307.423 1.882 10 0 DDAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cccc(O)c1Br ZINC000315452980 280040557 /nfs/dbraw/zinc/04/05/57/280040557.db2.gz QYUNXZFOGLREET-SCZZXKLOSA-N 1 0 313.195 1.911 10 0 DDAERO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)cnc1Cl ZINC000117363452 281082528 /nfs/dbraw/zinc/08/25/28/281082528.db2.gz BYUQWSFESNXSGO-JTQLQIEISA-N 1 0 303.815 1.368 10 0 DDAERO C[C@H](CNC(=O)CCSc1ccccn1)N1CCOCC1 ZINC000119038788 281088943 /nfs/dbraw/zinc/08/89/43/281088943.db2.gz WKKIJEXHTLZRGB-CYBMUJFWSA-N 1 0 309.435 1.401 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1nc(C)c(C)[nH]c1=O ZINC000132815165 281193907 /nfs/dbraw/zinc/19/39/07/281193907.db2.gz VLKCKFWXVCUYOO-QWHCGFSZSA-N 1 0 304.394 1.086 10 0 DDAERO CCC[C@H](C(=O)NCCC(=O)NCc1ccccc1)[NH+](C)C ZINC000128129128 281299564 /nfs/dbraw/zinc/29/95/64/281299564.db2.gz KQFLDNDRNGEQAO-OAHLLOKOSA-N 1 0 305.422 1.539 10 0 DDAERO CCC[C@H](C(=O)NCCNC(=O)CC1CCCCC1)[NH+](C)C ZINC000130269517 281373714 /nfs/dbraw/zinc/37/37/14/281373714.db2.gz KYIQRKPHOMDZKN-OAHLLOKOSA-N 1 0 311.470 1.920 10 0 DDAERO CC[C@@H](C(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1)[NH+](C)C ZINC000151689629 281696081 /nfs/dbraw/zinc/69/60/81/281696081.db2.gz URUQTOYQBZNGNQ-INIZCTEOSA-N 1 0 321.469 1.021 10 0 DDAERO CCOC(=O)N[C@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)C(C)C ZINC000247386525 282049841 /nfs/dbraw/zinc/04/98/41/282049841.db2.gz QCIPNYYOLTZFAA-MCIONIFRSA-N 1 0 313.442 1.602 10 0 DDAERO Cn1cc(N2CCC[C@H](N3CC[N@@H+]4CCCC[C@H]4C3)C2=O)cn1 ZINC000248366854 294247559 /nfs/dbraw/zinc/24/75/59/294247559.db2.gz SPVCRYIDSZQRSZ-HOCLYGCPSA-N 1 0 317.437 1.086 10 0 DDAERO Cn1ccnc1[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)C1CC1 ZINC000183328096 294428437 /nfs/dbraw/zinc/42/84/37/294428437.db2.gz DYZPSUDUPPMGEV-GDBMZVCRSA-N 1 0 312.421 1.920 10 0 DDAERO [NH3+]C1(C(=O)NCC2CCC(C(F)(F)F)CC2)CCOCC1 ZINC000261909330 295202939 /nfs/dbraw/zinc/20/29/39/295202939.db2.gz SUIHTNVLCWETPW-UHFFFAOYSA-N 1 0 308.344 1.979 10 0 DDAERO O=C(N1C[C@@H]2CCCC[C@H]2C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262230463 295585227 /nfs/dbraw/zinc/58/52/27/295585227.db2.gz KFOWGEPHRZNYFM-GJZGRUSLSA-N 1 0 302.422 1.610 10 0 DDAERO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H]2Cn2ccnc2)CC[N@@H+]1C ZINC000333023886 298313851 /nfs/dbraw/zinc/31/38/51/298313851.db2.gz GHDUJCRFEWSSML-QLFBSQMISA-N 1 0 305.426 1.540 10 0 DDAERO C[C@H](C[S@](C)=O)[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400741248 302370322 /nfs/dbraw/zinc/37/03/22/302370322.db2.gz SWLNKBQEBZYEDW-YWKQUGORSA-N 1 0 318.483 1.989 10 0 DDAERO COC(=O)CC[N@H+](CCc1ccccc1)C[C@H](C)C(=O)OC ZINC000584642359 337380180 /nfs/dbraw/zinc/38/01/80/337380180.db2.gz JRTOCGYWFCDTJC-AWEZNQCLSA-N 1 0 307.390 1.903 10 0 DDAERO C[C@@H](O)CC[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000085990684 484005958 /nfs/dbraw/zinc/00/59/58/484005958.db2.gz NUIWAOIZNKLPNF-PWSUYJOCSA-N 1 0 318.211 1.549 10 0 DDAERO O=C(CCSc1ccc(Cl)cc1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262246680 484266506 /nfs/dbraw/zinc/26/65/06/484266506.db2.gz LGOYWEINFLRJTB-GWCFXTLKSA-N 1 0 314.838 1.519 10 0 DDAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262353105 484269723 /nfs/dbraw/zinc/26/97/23/484269723.db2.gz UOAVKOFFJJUMGR-DGADGQDISA-N 1 0 312.454 1.160 10 0 DDAERO Cc1cc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c(N(C)C)nn1 ZINC000667486123 484629523 /nfs/dbraw/zinc/62/95/23/484629523.db2.gz MYLWYKMRGHVEHD-CHWSQXEVSA-N 1 0 318.425 1.551 10 0 DDAERO CCn1cc(C2CC[NH+](C[C@H](C)CS(C)(=O)=O)CC2)cn1 ZINC000163343986 523356349 /nfs/dbraw/zinc/35/63/49/523356349.db2.gz FWBGZDALAJEBEC-ZDUSSCGKSA-N 1 0 313.467 1.763 10 0 DDAERO COCC[N@H+](C)CCCNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000156734407 523578346 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320.437 1.373 10 0 DDAERO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)C(=O)COCC2CC2)C1 ZINC000886093761 708696940 /nfs/dbraw/zinc/69/69/40/708696940.db2.gz GWOJRAPUSQTOAT-OAGGEKHMSA-N 1 0 310.438 1.513 10 0 DDAERO COCCn1cc([C@H]2OCC[C@@H]2[NH2+]Cc2cnn(C)c2C)cn1 ZINC000888075977 709209329 /nfs/dbraw/zinc/20/93/29/709209329.db2.gz KFSPUHBYBIUQHA-JKSUJKDBSA-N 1 0 319.409 1.191 10 0 DDAERO CC(C)OCCC(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000888095376 709211778 /nfs/dbraw/zinc/21/17/78/709211778.db2.gz XTPNMATWSCOLPQ-JHNDHUHGSA-N 1 0 312.454 1.397 10 0 DDAERO O=C(N1CCCC1)[C@]1(O)CCC[N@@H+](Cc2ccc(O)c(F)c2)C1 ZINC000894367773 711090355 /nfs/dbraw/zinc/09/03/55/711090355.db2.gz VNXXKWYXTUAJME-KRWDZBQOSA-N 1 0 322.380 1.481 10 0 DDAERO CC[NH2+][C@H]1CCC2(C[C@H]1Sc1nccc(=O)[nH]1)OCCO2 ZINC000081774311 192322625 /nfs/dbraw/zinc/32/26/25/192322625.db2.gz WZNREXPORFONMU-WDEREUQCSA-N 1 0 311.407 1.548 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(C(=O)NC2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C 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DDAERO C[NH2+][C@H]1CCOC[C@@H]1S(=O)(=O)c1ccc2ccccc2c1 ZINC000081945605 192345178 /nfs/dbraw/zinc/34/51/78/192345178.db2.gz PYENQCLEEDIDCY-HOTGVXAUSA-N 1 0 305.399 1.990 10 0 DDAERO CNS(=O)(=O)c1ccccc1NC(=O)CC[C@@H](C)CC[NH3+] ZINC000079189839 185161315 /nfs/dbraw/zinc/16/13/15/185161315.db2.gz LBPDRGJNTGGQLI-LLVKDONJSA-N 1 0 313.423 1.298 10 0 DDAERO Cc1cc(NC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)no1 ZINC000079427322 185171019 /nfs/dbraw/zinc/17/10/19/185171019.db2.gz GDWNHJIACBQGGL-GFCCVEGCSA-N 1 0 308.382 1.700 10 0 DDAERO CC[NH2+][C@@H](CS(=O)(=O)CCOC)c1ccc2c(c1)OCO2 ZINC000081944417 192345446 /nfs/dbraw/zinc/34/54/46/192345446.db2.gz MPJLMQSVCBFRTL-LBPRGKRZSA-N 1 0 315.391 1.127 10 0 DDAERO [NH3+][C@H]1CCOC[C@@H]1[S@](=O)c1ccc(Br)cc1 ZINC000082747042 185201955 /nfs/dbraw/zinc/20/19/55/185201955.db2.gz MVJWVKLKXYLPJT-MMPTUQATSA-N 1 0 304.209 1.673 10 0 DDAERO COc1ccc(C[NH+]2CCC(Cc3nccn3C)CC2)nn1 ZINC000328683099 231307265 /nfs/dbraw/zinc/30/72/65/231307265.db2.gz PCEZMVDGUCGMNM-UHFFFAOYSA-N 1 0 301.394 1.673 10 0 DDAERO CC(C)([C@H](O)[C@@H](C[NH3+])c1ccc(F)cc1F)S(C)(=O)=O ZINC000087382954 185223023 /nfs/dbraw/zinc/22/30/23/185223023.db2.gz BGYCANMBOAGEOR-CMPLNLGQSA-N 1 0 307.362 1.191 10 0 DDAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(C(=O)OC)ccc1C ZINC000087404378 185223888 /nfs/dbraw/zinc/22/38/88/185223888.db2.gz JDJZGSODRQTJSE-LBPRGKRZSA-N 1 0 314.407 1.187 10 0 DDAERO COC(=O)c1c2c(sc1NC(=O)c1csnn1)C[NH2+]CC2 ZINC000087466637 185225847 /nfs/dbraw/zinc/22/58/47/185225847.db2.gz PBXHVBHGAYDKDP-UHFFFAOYSA-N 1 0 324.387 1.284 10 0 DDAERO CC(C)(C)c1nnsc1-c1nc(CN2CC[NH2+]CC2)no1 ZINC000087457059 185225930 /nfs/dbraw/zinc/22/59/30/185225930.db2.gz ODCZFDFOCAJQHZ-UHFFFAOYSA-N 1 0 308.411 1.291 10 0 DDAERO CCC[C@H](C[NH3+])C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000087518100 185227464 /nfs/dbraw/zinc/22/74/64/185227464.db2.gz LBFPYBKFWHWZMR-LLVKDONJSA-N 1 0 313.423 1.264 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000152377201 539200983 /nfs/dbraw/zinc/20/09/83/539200983.db2.gz IUKFTEVKCXOLJY-OWCLPIDISA-N 1 0 311.470 1.957 10 0 DDAERO Cc1nnc(SCC(=O)Nc2cccc(F)c2)n1CC[NH3+] ZINC000087714876 185230969 /nfs/dbraw/zinc/23/09/69/185230969.db2.gz QPETUPUEQXVPII-UHFFFAOYSA-N 1 0 309.370 1.415 10 0 DDAERO CCC[C@H]1CC[C@H]([NH2+]CC)[C@H](S(=O)(=O)CCC(=O)OC)C1 ZINC000081974601 192347653 /nfs/dbraw/zinc/34/76/53/192347653.db2.gz VEKNJBYKROTPJO-MELADBBJSA-N 1 0 319.467 1.911 10 0 DDAERO CCC[C@@H]1CC[C@@H]([NH2+]C)[C@H](S(=O)(=O)CC(=O)OCC)C1 ZINC000081977543 192347662 /nfs/dbraw/zinc/34/76/62/192347662.db2.gz YQHUNQHHXLPIOC-JHJVBQTASA-N 1 0 305.440 1.521 10 0 DDAERO Cc1nn(C)c(C[S@](=O)CC(C)(C)[NH3+])c1Br ZINC000088071991 185239020 /nfs/dbraw/zinc/23/90/20/185239020.db2.gz WYYLEPNWACEZFW-MRXNPFEDSA-N 1 0 308.245 1.477 10 0 DDAERO COc1ccc(CN2CC[NH+](C(C)C)CC2)cc1C(N)=S ZINC000087832464 185232689 /nfs/dbraw/zinc/23/26/89/185232689.db2.gz SGNJVKJEISARHV-UHFFFAOYSA-N 1 0 307.463 1.855 10 0 DDAERO NNc1nc(-n2cc(C(F)(F)F)cn2)c(Br)c[nH+]1 ZINC000087867766 185234159 /nfs/dbraw/zinc/23/41/59/185234159.db2.gz APNOPVVKDJIVIO-UHFFFAOYSA-N 1 0 323.076 1.729 10 0 DDAERO CCCNS(=O)(=O)c1ccc(N2CC[NH2+]CC2(C)C)cc1 ZINC000088147137 185240689 /nfs/dbraw/zinc/24/06/89/185240689.db2.gz ZQWRAIYHLLMCJI-UHFFFAOYSA-N 1 0 311.451 1.563 10 0 DDAERO O=C(Nc1c(Cl)cccc1Cl)C(=O)N1CC[NH2+]CC1 ZINC000088172177 185241044 /nfs/dbraw/zinc/24/10/44/185241044.db2.gz KQZHNKONDFTQIV-UHFFFAOYSA-N 1 0 302.161 1.364 10 0 DDAERO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2nncs2)cc1OC ZINC000180875325 539236354 /nfs/dbraw/zinc/23/63/54/539236354.db2.gz MAWJBFQZJUZQRY-SECBINFHSA-N 1 0 322.390 1.845 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN(CC(F)(F)F)C2)C1 ZINC000249759291 282194602 /nfs/dbraw/zinc/19/46/02/282194602.db2.gz XCDZEUHNSASIPU-QWHCGFSZSA-N 1 0 321.387 1.861 10 0 DDAERO COc1ccc(Br)c(NC(=O)[C@@]2([NH3+])CCOC2)c1 ZINC000088321191 185245494 /nfs/dbraw/zinc/24/54/94/185245494.db2.gz GVUYJRJLWNFLNJ-GFCCVEGCSA-N 1 0 315.167 1.514 10 0 DDAERO CC[C@H](C(N)=S)S(=O)(=O)NCC[NH+](C(C)C)C(C)C ZINC000088486732 185253149 /nfs/dbraw/zinc/25/31/49/185253149.db2.gz XYQZOXPNMUNFOJ-LLVKDONJSA-N 1 0 309.501 1.089 10 0 DDAERO Cn1ncnc1C[C@@H](C[NH3+])Cc1ccc(Br)cc1 ZINC000088582957 185258398 /nfs/dbraw/zinc/25/83/98/185258398.db2.gz MRHCFLGNLHTKTE-NSHDSACASA-N 1 0 309.211 1.938 10 0 DDAERO Cc1nnc2sc(C(=O)N3CCC([NH3+])CC3)c(N)c2c1C ZINC000088641254 185260865 /nfs/dbraw/zinc/26/08/65/185260865.db2.gz ZBAHETOCMHVCJU-UHFFFAOYSA-N 1 0 305.407 1.454 10 0 DDAERO COC1(CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CCOCC1 ZINC000246583055 539270462 /nfs/dbraw/zinc/27/04/62/539270462.db2.gz ZNSUDQCEEQSXRE-UONOGXRCSA-N 1 0 313.442 1.210 10 0 DDAERO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000248216991 539271710 /nfs/dbraw/zinc/27/17/10/539271710.db2.gz ZVSKLGFIRKYIDU-QZWWFDLISA-N 1 0 313.438 1.170 10 0 DDAERO Cc1ccccc1S(=O)(=O)[C@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000081978400 192349725 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CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NC(=O)c1cccc(OC(F)F)c1 ZINC000090312451 185290634 /nfs/dbraw/zinc/29/06/34/185290634.db2.gz DJUYLEVPHBADOQ-TUAOUCFPSA-N 1 0 300.305 1.523 10 0 DDAERO O=C(c1cc(F)cc(Br)c1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090321486 185290894 /nfs/dbraw/zinc/29/08/94/185290894.db2.gz HOHYMPHWMQMMFX-UWVGGRQHSA-N 1 0 313.170 1.880 10 0 DDAERO O=S(=O)(c1ccccc1C(F)(F)F)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090322244 185290927 /nfs/dbraw/zinc/29/09/27/185290927.db2.gz ARMMEQSRNFQMMC-UWVGGRQHSA-N 1 0 320.336 1.545 10 0 DDAERO CC[NH2+][C@@H]1CCC(C)(C)C[C@H]1S(=O)(=O)CCC(=O)OC ZINC000082009730 192353998 /nfs/dbraw/zinc/35/39/98/192353998.db2.gz BILRAOJLRWJXNK-VXGBXAGGSA-N 1 0 305.440 1.521 10 0 DDAERO COc1cc(Cl)c(NC(=O)[C@H]2COC[C@@H]2[NH3+])cc1OC ZINC000090380471 185293490 /nfs/dbraw/zinc/29/34/90/185293490.db2.gz PCBJAOUUDBCSPA-CBAPKCEASA-N 1 0 300.742 1.269 10 0 DDAERO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H]1COC[C@@H]1[NH3+] ZINC000090383911 185293811 /nfs/dbraw/zinc/29/38/11/185293811.db2.gz JUWUMEQZJVWGQZ-QWRGUYRKSA-N 1 0 312.391 1.399 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)NCc1ccc(Br)cc1 ZINC000090431956 185295998 /nfs/dbraw/zinc/29/59/98/185295998.db2.gz PBIIPDHTHOGLRC-VXGBXAGGSA-N 1 0 313.195 1.300 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000090436595 185296236 /nfs/dbraw/zinc/29/62/36/185296236.db2.gz WPVWKCNLPWMDGL-ZJUUUORDSA-N 1 0 312.391 1.324 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1cc(C(=O)OC)ccc1Cl ZINC000090433343 185296430 /nfs/dbraw/zinc/29/64/30/185296430.db2.gz FBRYTSNDHYRFMP-SKDRFNHKSA-N 1 0 312.753 1.300 10 0 DDAERO CN(Cc1c(F)cccc1Cl)C(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090590446 185305470 /nfs/dbraw/zinc/30/54/70/185305470.db2.gz FENJPKBWALPPIP-TZMCWYRMSA-N 1 0 300.761 1.801 10 0 DDAERO C[C@@]1(C(=O)Nc2ncccc2Br)COC[C@@H]1[NH3+] ZINC000090606000 185306314 /nfs/dbraw/zinc/30/63/14/185306314.db2.gz YRRXKYCJCOTOLC-GZMMTYOYSA-N 1 0 300.156 1.146 10 0 DDAERO C[NH+](C)C[C@H]1CSCCCN1S(=O)(=O)c1cccnc1 ZINC000090700307 185310452 /nfs/dbraw/zinc/31/04/52/185310452.db2.gz ARNYFJUUWNQYQX-LBPRGKRZSA-N 1 0 315.464 1.139 10 0 DDAERO O=C(c1cnccn1)N1CCCSC[C@@H]1C[NH+]1CCCCC1 ZINC000090701628 185310577 /nfs/dbraw/zinc/31/05/77/185310577.db2.gz NSJUDVMNEHAYHP-AWEZNQCLSA-N 1 0 320.462 1.910 10 0 DDAERO Brc1cncnc1NCCOC1CC[NH2+]CC1 ZINC000090781740 185311951 /nfs/dbraw/zinc/31/19/51/185311951.db2.gz SDYAZRFHTCAIHV-UHFFFAOYSA-N 1 0 301.188 1.420 10 0 DDAERO CC[NH2+]C[C@@H](C)Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C ZINC000092320443 185312260 /nfs/dbraw/zinc/31/22/60/185312260.db2.gz MKTXQGXLZKPJAG-SMDDNHRTSA-N 1 0 313.467 1.648 10 0 DDAERO Cc1noc(C)c1[C@@H](C)NS(=O)(=O)c1cc(C[NH3+])n(C)c1 ZINC000092344098 185313143 /nfs/dbraw/zinc/31/31/43/185313143.db2.gz JMSVSRFOPGJOTQ-SECBINFHSA-N 1 0 312.395 1.128 10 0 DDAERO CCNc1ccncc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000092672240 185332977 /nfs/dbraw/zinc/33/29/77/185332977.db2.gz MMUDYOSEAIPGHO-GFCCVEGCSA-N 1 0 312.439 1.228 10 0 DDAERO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(N)ccc1Cl ZINC000092622051 185329944 /nfs/dbraw/zinc/32/99/44/185329944.db2.gz GQGTUAHNEAGJNO-NSHDSACASA-N 1 0 317.842 1.637 10 0 DDAERO Cc1[nH]nc(S(=O)(=O)NCC2C(C)(C)C2(C)C)c1C[NH3+] ZINC000092833116 185344887 /nfs/dbraw/zinc/34/48/87/185344887.db2.gz PCMQOYGWGPEYGN-UHFFFAOYSA-N 1 0 300.428 1.137 10 0 DDAERO COc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)NS(C)(=O)=O)CC2 ZINC000092837425 185345060 /nfs/dbraw/zinc/34/50/60/185345060.db2.gz NSGFPEBRZYPFHT-CQSZACIVSA-N 1 0 312.435 1.600 10 0 DDAERO Cn1cnc(S(=O)(=O)N(CCC[NH3+])c2ccc(F)cc2)c1 ZINC000052095798 190683426 /nfs/dbraw/zinc/68/34/26/190683426.db2.gz XDRYBAXEACMCGM-UHFFFAOYSA-N 1 0 312.370 1.103 10 0 DDAERO C[NH2+][C@@H](C)[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000111713981 185629170 /nfs/dbraw/zinc/62/91/70/185629170.db2.gz SKLMZZLXLXQCHJ-QWRGUYRKSA-N 1 0 318.389 1.973 10 0 DDAERO C[C@H]1CN(C(C)(C)CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000261622617 290798612 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CC[C@H]1CN(CCOc2cccc(OC)c2)CC[N@@H+]1C[C@@H](C)O ZINC000152604475 186088766 /nfs/dbraw/zinc/08/87/66/186088766.db2.gz ADGYSWAECNYSHT-CVEARBPZSA-N 1 0 322.449 1.851 10 0 DDAERO CCCOc1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000171908048 198006358 /nfs/dbraw/zinc/00/63/58/198006358.db2.gz BJTNGJKFRUGOSO-HNNXBMFYSA-N 1 0 318.421 1.860 10 0 DDAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(Br)c1F ZINC000623766165 366045081 /nfs/dbraw/zinc/04/50/81/366045081.db2.gz BINJMNLCAOKDQV-WDEREUQCSA-N 1 0 304.159 1.828 10 0 DDAERO C[C@H](C(=O)NCc1ccccc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172803552 198151472 /nfs/dbraw/zinc/15/14/72/198151472.db2.gz BMFFYIPBTNZVQY-NVXWUHKLSA-N 1 0 301.434 1.861 10 0 DDAERO C[C@H]1CN(C(=O)c2ccc(NC=O)cc2)C[C@@H]1N1CCOCC1 ZINC000173417029 198212038 /nfs/dbraw/zinc/21/20/38/198212038.db2.gz PWMIPCFCMNLRAP-BBRMVZONSA-N 1 0 317.389 1.048 10 0 DDAERO COc1ccc(O[C@H](C)CNC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000173917387 198268109 /nfs/dbraw/zinc/26/81/09/198268109.db2.gz LROLYGMZAJXUNI-KGLIPLIRSA-N 1 0 321.421 1.808 10 0 DDAERO C[NH+](C)CCNc1ccc(I)cc1N ZINC000085101297 192479325 /nfs/dbraw/zinc/47/93/25/192479325.db2.gz JDOUADASZDKTPM-UHFFFAOYSA-N 1 0 305.163 1.847 10 0 DDAERO CC[C@H]1CN(C(=O)c2ccc(F)cc2F)CC[N@@H+]1C[C@@H](C)O ZINC000174639975 198364032 /nfs/dbraw/zinc/36/40/32/198364032.db2.gz CJBDIJFRIFFBRM-YPMHNXCESA-N 1 0 312.360 1.882 10 0 DDAERO COc1ccc2sc(NC(=O)CN3CCC[NH2+]CC3)nc2c1 ZINC000073161317 191286799 /nfs/dbraw/zinc/28/67/99/191286799.db2.gz AZEKDTKYSHSXJF-UHFFFAOYSA-N 1 0 320.418 1.539 10 0 DDAERO COCC[N@@H+]1CCN(C[C@@H](O)COc2ccc(C)cc2)C[C@H]1C ZINC000105833233 353936758 /nfs/dbraw/zinc/93/67/58/353936758.db2.gz RACAEAXQIUUBFV-IAGOWNOFSA-N 1 0 322.449 1.387 10 0 DDAERO C[C@@H]([NH3+])C[C@@H](C)Nc1ncc(I)cn1 ZINC000126422781 354055156 /nfs/dbraw/zinc/05/51/56/354055156.db2.gz IISNFWMNNWGEPE-RNFRBKRXSA-N 1 0 306.151 1.619 10 0 DDAERO Brc1cnc(NC2C[NH2+]C2)c(Br)c1 ZINC000164032207 354247908 /nfs/dbraw/zinc/24/79/08/354247908.db2.gz IHMYLGUOWNHKJM-UHFFFAOYSA-N 1 0 306.989 1.990 10 0 DDAERO Cc1ccc(F)cc1S(=O)(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000226463392 354319884 /nfs/dbraw/zinc/31/98/84/354319884.db2.gz ITWNUWYIDGPQSR-CYBMUJFWSA-N 1 0 300.399 1.897 10 0 DDAERO CC(C)[N@@H+]1CCC[C@H](n2ncc(N3CCC(O)CC3)cc2=O)C1 ZINC000328605937 354545175 /nfs/dbraw/zinc/54/51/75/354545175.db2.gz PVELTZFSVZANME-AWEZNQCLSA-N 1 0 320.437 1.250 10 0 DDAERO Cc1n[nH]cc1C[N@H+](C)C[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000328630905 354553132 /nfs/dbraw/zinc/55/31/32/354553132.db2.gz JVQXJMNAHALTAF-KBPBESRZSA-N 1 0 304.373 1.557 10 0 DDAERO Cc1c(CN(Cc2cncnc2)[C@@H]2CCC[NH2+]CC2)cnn1C ZINC000328633457 354554520 /nfs/dbraw/zinc/55/45/20/354554520.db2.gz MBAQFUOOXFZRBX-QGZVFWFLSA-N 1 0 314.437 1.663 10 0 DDAERO F[C@H]1C[C@@H](C[NH2+][C@H]2CCCSC2)N(Cc2cncnc2)C1 ZINC000328650252 354559338 /nfs/dbraw/zinc/55/93/38/354559338.db2.gz VLUMBEBSMZCAGH-KKUMJFAQSA-N 1 0 310.442 1.874 10 0 DDAERO COC(=O)CCNC(=O)C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000171402431 291042278 /nfs/dbraw/zinc/04/22/78/291042278.db2.gz GTDXOIHMLIKAFI-IHWZXDPASA-N 1 0 322.449 1.860 10 0 DDAERO NC(=O)c1ccc(NC(=O)CC2CC[NH+](C3CC3)CC2)cc1 ZINC000074921231 191388167 /nfs/dbraw/zinc/38/81/67/191388167.db2.gz ARVFWRPEDCLMBI-UHFFFAOYSA-N 1 0 301.390 1.989 10 0 DDAERO CC(C)N(CC(N)=[NH2+])S(=O)(=O)c1cccc2cnccc21 ZINC000080224685 192014654 /nfs/dbraw/zinc/01/46/54/192014654.db2.gz BVLWPGXFFUKTCZ-UHFFFAOYSA-N 1 0 306.391 1.570 10 0 DDAERO COC(=O)CNC(=O)CC[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000111192371 291087881 /nfs/dbraw/zinc/08/78/81/291087881.db2.gz QTLKPBVJLUBBIW-QLFDAEIZSA-N 1 0 322.449 1.860 10 0 DDAERO O=C([C@H]1CCCCC[NH2+]1)N1CCN(Cc2cccs2)CC1 ZINC000080995857 192209733 /nfs/dbraw/zinc/20/97/33/192209733.db2.gz IURKTHXCFKJLRM-OAHLLOKOSA-N 1 0 307.463 1.925 10 0 DDAERO C[NH2+]Cc1cc(Br)cnc1N1CCn2cnnc2C1 ZINC000081542645 192287055 /nfs/dbraw/zinc/28/70/55/192287055.db2.gz NCDXSGOCJKJCDK-UHFFFAOYSA-N 1 0 323.198 1.175 10 0 DDAERO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cnc(N)c(Cl)c1 ZINC000081693781 192314447 /nfs/dbraw/zinc/31/44/47/192314447.db2.gz NYXTWIQSPDWTFP-SECBINFHSA-N 1 0 320.846 1.326 10 0 DDAERO CCC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1CCCS(C)(=O)=O ZINC000085511336 192513658 /nfs/dbraw/zinc/51/36/58/192513658.db2.gz QSJLIUPDYZCZQX-HUUCEWRRSA-N 1 0 302.484 1.664 10 0 DDAERO C[NH2+]C1CCN(C(=O)[C@@H](NC(=O)c2ccco2)C(C)C)CC1 ZINC000237080194 202145889 /nfs/dbraw/zinc/14/58/89/202145889.db2.gz XNJKVOMDHAQOCJ-AWEZNQCLSA-N 1 0 307.394 1.244 10 0 DDAERO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000153080652 283232999 /nfs/dbraw/zinc/23/29/99/283232999.db2.gz DKQXGFLJHZUJEE-CQSZACIVSA-N 1 0 322.457 1.356 10 0 DDAERO CC[NH2+]CC1CCN(S(=O)(=O)N(C)C[C@@H](C)CC)CC1 ZINC000088953589 192667316 /nfs/dbraw/zinc/66/73/16/192667316.db2.gz XKWUSBDGSOYASK-ZDUSSCGKSA-N 1 0 305.488 1.531 10 0 DDAERO C[NH2+]Cc1sccc1S(=O)(=O)N(C)[C@H]1CCSC1 ZINC000088954258 192667656 /nfs/dbraw/zinc/66/76/56/192667656.db2.gz NINVUODQWISLGV-VIFPVBQESA-N 1 0 306.478 1.594 10 0 DDAERO CCCCCN(C)S(=O)(=O)c1cnn(CC[NH2+]C(C)C)c1 ZINC000088952267 192667983 /nfs/dbraw/zinc/66/79/83/192667983.db2.gz PEZUFQGKJIPQSX-UHFFFAOYSA-N 1 0 316.471 1.692 10 0 DDAERO CCC[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)CC1CC1 ZINC000088973697 192675145 /nfs/dbraw/zinc/67/51/45/192675145.db2.gz UNSPKBGAAUKRDU-CQSZACIVSA-N 1 0 303.472 1.427 10 0 DDAERO CC[NH2+]Cc1cccc(S(=O)(=O)N2CCO[C@@H](CC)C2)c1 ZINC000088961300 192670126 /nfs/dbraw/zinc/67/01/26/192670126.db2.gz OXKXDDOCIULPFO-AWEZNQCLSA-N 1 0 312.435 1.596 10 0 DDAERO CCOC1CCN(S(=O)(=O)N(C)CCC[NH2+]C(C)C)CC1 ZINC000088985977 192683237 /nfs/dbraw/zinc/68/32/37/192683237.db2.gz AIMOCHDHXSUYIT-UHFFFAOYSA-N 1 0 321.487 1.052 10 0 DDAERO CCOC(=O)c1ccc(C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)o1 ZINC000180235393 199134120 /nfs/dbraw/zinc/13/41/20/199134120.db2.gz HRKBAUJOBAEKBP-DZGCQCFKSA-N 1 0 322.405 1.609 10 0 DDAERO COc1cc(CNC(=O)[C@@H]2CCC[C@H]2[NH3+])cc(OC)c1OC ZINC000237349292 202239930 /nfs/dbraw/zinc/23/99/30/202239930.db2.gz HKYZVBGKXXZDEO-VXGBXAGGSA-N 1 0 308.378 1.456 10 0 DDAERO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000180925362 199228611 /nfs/dbraw/zinc/22/86/11/199228611.db2.gz UFJJWAJXGQPUBY-GXTWGEPZSA-N 1 0 300.410 1.838 10 0 DDAERO CCC[NH2+]CCNC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C ZINC000236784159 283389889 /nfs/dbraw/zinc/38/98/89/283389889.db2.gz JIVCIEKJAPOZBS-HNNXBMFYSA-N 1 0 305.422 1.557 10 0 DDAERO CCC[NH2+]CCNC(=O)[C@H](NC(=O)Cc1ccccc1)C(C)C ZINC000236800511 283390286 /nfs/dbraw/zinc/39/02/86/283390286.db2.gz MNQUZCVKIIFWDF-QGZVFWFLSA-N 1 0 319.449 1.486 10 0 DDAERO [NH3+]CC1CCN(S(=O)(=O)N[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000089011341 192696850 /nfs/dbraw/zinc/69/68/50/192696850.db2.gz VDROKTUMZKXINY-GJZGRUSLSA-N 1 0 309.435 1.048 10 0 DDAERO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C[NH3+])c2)CCCO1 ZINC000089027408 192707041 /nfs/dbraw/zinc/70/70/41/192707041.db2.gz LJCZCDXULAZNPD-SNVBAGLBSA-N 1 0 318.826 1.598 10 0 DDAERO CNC(=O)[C@H]1C[NH2+]CCN1Cc1cccc(Cl)c1Cl ZINC000089082992 192722658 /nfs/dbraw/zinc/72/26/58/192722658.db2.gz GGCSVMXBUCCIQL-LLVKDONJSA-N 1 0 302.205 1.513 10 0 DDAERO CCn1nc(C)c(Cl)c1C[C@@H](C[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000089300234 192762563 /nfs/dbraw/zinc/76/25/63/192762563.db2.gz GBFQDJCDKQEBMZ-MNOVXSKESA-N 1 0 319.858 1.417 10 0 DDAERO [NH3+]CCn1cc(C(=O)Nc2nc3ccc(Cl)cc3s2)nn1 ZINC000089698149 192844816 /nfs/dbraw/zinc/84/48/16/192844816.db2.gz IWJCVQXFSCCKJP-UHFFFAOYSA-N 1 0 322.781 1.752 10 0 DDAERO CCOCCN1CCN(C(=O)c2coc(C[NH3+])c2)C[C@H]1CC ZINC000188188741 200206763 /nfs/dbraw/zinc/20/67/63/200206763.db2.gz HDUQOZMKMHUMJL-CQSZACIVSA-N 1 0 309.410 1.311 10 0 DDAERO [NH3+][C@H]1CC[C@@H](C(=O)NCC2(c3ccccc3)CCOCC2)C1 ZINC000237866613 202373981 /nfs/dbraw/zinc/37/39/81/202373981.db2.gz FSOCEJILIOOYJF-ZBFHGGJFSA-N 1 0 302.418 1.978 10 0 DDAERO [NH3+][C@H]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000237876989 202377538 /nfs/dbraw/zinc/37/75/38/202377538.db2.gz JXGVQVZPSWASQB-CABCVRRESA-N 1 0 301.390 1.098 10 0 DDAERO [NH3+][C@H]1CC[C@H](C(=O)NCCCc2nnc3n2CCCCC3)C1 ZINC000237893457 202381961 /nfs/dbraw/zinc/38/19/61/202381961.db2.gz XVGCZPDOINJOAY-STQMWFEESA-N 1 0 305.426 1.181 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(CCCc2ccc3c(c2)CCO3)CC1 ZINC000193249338 201012888 /nfs/dbraw/zinc/01/28/88/201012888.db2.gz CMEUTDBJBYGPTL-GOSISDBHSA-N 1 0 318.461 1.943 10 0 DDAERO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1cc(F)c(F)cc1F ZINC000193396714 201044713 /nfs/dbraw/zinc/04/47/13/201044713.db2.gz VLYCZPNSQPSUIM-RDDDGLTNSA-N 1 0 308.325 1.380 10 0 DDAERO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1cc(F)c(F)cc1F ZINC000193447807 201053636 /nfs/dbraw/zinc/05/36/36/201053636.db2.gz YXSJKVOFEPFMAZ-RDDDGLTNSA-N 1 0 308.325 1.523 10 0 DDAERO COc1cccc(OC)c1S(=O)(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000193460067 201054691 /nfs/dbraw/zinc/05/46/91/201054691.db2.gz HHNHIWWRZVTGCJ-QWRGUYRKSA-N 1 0 314.407 1.123 10 0 DDAERO COc1ccc([C@@H](O)CNC(=O)c2csc(CC[NH3+])n2)cc1 ZINC000194781478 201288377 /nfs/dbraw/zinc/28/83/77/201288377.db2.gz PRWOXHGEUGDZAQ-ZDUSSCGKSA-N 1 0 321.402 1.116 10 0 DDAERO C[NH2+][C@@H]1CCCCC[C@H]1CN1CCSC[C@@H]1S(C)(=O)=O ZINC000090923685 192948516 /nfs/dbraw/zinc/94/85/16/192948516.db2.gz XZLWECJIDBCNMS-MJBXVCDLSA-N 1 0 320.524 1.574 10 0 DDAERO CC[C@H]([NH3+])[C@H](N1CCSC[C@@H]1S(=O)(=O)CC)C(C)(C)C ZINC000090926380 192949518 /nfs/dbraw/zinc/94/95/18/192949518.db2.gz VOCIZDYHFVXIIW-AVGNSLFASA-N 1 0 322.540 1.948 10 0 DDAERO O=c1[nH]ccnc1N1CCC[C@@H]([NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC000275528773 212396509 /nfs/dbraw/zinc/39/65/09/212396509.db2.gz LQNHRUVPRGDHFY-CQSZACIVSA-N 1 0 324.388 1.817 10 0 DDAERO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3cccc4cnccc43)C[C@@H]12 ZINC000248560027 202744664 /nfs/dbraw/zinc/74/46/64/202744664.db2.gz ASEFDELHEKJZGY-NWANDNLSSA-N 1 0 317.414 1.593 10 0 DDAERO [NH3+]C[C@@H](CC(=O)NC1CC1)Nc1cccc(Br)c1 ZINC000091320224 193037844 /nfs/dbraw/zinc/03/78/44/193037844.db2.gz QARMBALHZINLSD-GFCCVEGCSA-N 1 0 312.211 1.857 10 0 DDAERO CCS(=O)(=O)CCn1ncc(C[NH2+]C(C)C)c1C(F)F ZINC000091339765 193043500 /nfs/dbraw/zinc/04/35/00/193043500.db2.gz XSKAKOBJHQGKNA-UHFFFAOYSA-N 1 0 309.382 1.753 10 0 DDAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2cc(-n3cnnn3)ccc2Cl)C1 ZINC000091545360 193071604 /nfs/dbraw/zinc/07/16/04/193071604.db2.gz BMINWQXBVICVQJ-BDAKNGLRSA-N 1 0 306.757 1.382 10 0 DDAERO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC2CC([NH3+])C2)cc1 ZINC000091475217 193061307 /nfs/dbraw/zinc/06/13/07/193061307.db2.gz PQXIAZUOLWHELH-UHFFFAOYSA-N 1 0 311.407 1.003 10 0 DDAERO C[NH+](C)CCCCNS(=O)(=O)c1c[nH]c2cc(N)ccc21 ZINC000091501621 193064981 /nfs/dbraw/zinc/06/49/81/193064981.db2.gz TWGLRCZLMQWLGE-UHFFFAOYSA-N 1 0 310.423 1.370 10 0 DDAERO Cc1nc(NC(=O)[C@H]2COC[C@H]2[NH3+])ccc1Br ZINC000091506999 193066226 /nfs/dbraw/zinc/06/62/26/193066226.db2.gz HIYQBYXKZFLKTF-IONNQARKSA-N 1 0 300.156 1.065 10 0 DDAERO CCc1nn(CC)c(C[C@@H](CN(C)C)[NH2+]C)c1Br ZINC000091719706 193097221 /nfs/dbraw/zinc/09/72/21/193097221.db2.gz QKYPJJFYVCRYEE-JTQLQIEISA-N 1 0 317.275 1.920 10 0 DDAERO O=C1N(Cc2sccc2Br)C[C@H]2C[NH2+]CCN12 ZINC000091751127 193102187 /nfs/dbraw/zinc/10/21/87/193102187.db2.gz CHGVYWTWQWJRIQ-MRVPVSSYSA-N 1 0 316.224 1.720 10 0 DDAERO C[NH2+]C1CCC(N(C)S(=O)(=O)CCc2ccccn2)CC1 ZINC000091869985 193120787 /nfs/dbraw/zinc/12/07/87/193120787.db2.gz BIGIDUCCRYXZCY-UHFFFAOYSA-N 1 0 311.451 1.416 10 0 DDAERO CC[NH2+]Cc1cc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)c(C)o1 ZINC000092113913 193161722 /nfs/dbraw/zinc/16/17/22/193161722.db2.gz DRGJHFSSYBZDRX-PHIMTYICSA-N 1 0 300.424 1.974 10 0 DDAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)c(F)c1 ZINC000092115462 193163225 /nfs/dbraw/zinc/16/32/25/193163225.db2.gz ZCXCYTKEUJXVJJ-UHFFFAOYSA-N 1 0 316.398 1.345 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCSC[C@@H]2C)c(F)c1 ZINC000092116216 193164466 /nfs/dbraw/zinc/16/44/66/193164466.db2.gz WSMDJECUUOXICB-JTQLQIEISA-N 1 0 318.439 1.671 10 0 DDAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)C1 ZINC000092202963 193173159 /nfs/dbraw/zinc/17/31/59/193173159.db2.gz WWBRKJRTYXMDGN-JGVFFNPUSA-N 1 0 307.737 1.513 10 0 DDAERO c1ccc2c(c1)SC[C@@H]2c1nc(CN2CC[NH2+]CC2)no1 ZINC000092240256 193179134 /nfs/dbraw/zinc/17/91/34/193179134.db2.gz HFPJLSDPXMSKHC-LBPRGKRZSA-N 1 0 302.403 1.712 10 0 DDAERO CC[N@H+](CCOc1ccc(CC(N)=S)cc1)CC(C)(C)O ZINC000092967287 193189228 /nfs/dbraw/zinc/18/92/28/193189228.db2.gz KUNIYPVEXJIVGP-UHFFFAOYSA-N 1 0 310.463 1.987 10 0 DDAERO CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)CC(C)(C)O)cc1 ZINC000092984445 193191757 /nfs/dbraw/zinc/19/17/57/193191757.db2.gz WTLFLKABWOGTGL-GFCCVEGCSA-N 1 0 314.451 1.749 10 0 DDAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCOc3ccccc32)cn1 ZINC000262059032 203187440 /nfs/dbraw/zinc/18/74/40/203187440.db2.gz IGOBJARZEMJMAD-KGLIPLIRSA-N 1 0 312.373 1.149 10 0 DDAERO CCC(CC)(CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)SC ZINC000262292006 203252128 /nfs/dbraw/zinc/25/21/28/203252128.db2.gz OUBBKLLQHIEENI-KGLIPLIRSA-N 1 0 324.494 1.761 10 0 DDAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc([C@@H]4CCOC4)c3)C[C@H]12 ZINC000262351164 203270437 /nfs/dbraw/zinc/27/04/37/203270437.db2.gz FUJCBUIMTCJWKF-WCXIOVBPSA-N 1 0 300.402 2.000 10 0 DDAERO CS(=O)(=O)c1ccc(NC(=O)C2CCC(C[NH3+])CC2)cn1 ZINC000093424947 193249528 /nfs/dbraw/zinc/24/95/28/193249528.db2.gz OCTGFEDLLTXCPD-UHFFFAOYSA-N 1 0 311.407 1.189 10 0 DDAERO C[C@H](C[C@@H]1CCC[NH2+]1)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000093464754 193256308 /nfs/dbraw/zinc/25/63/08/193256308.db2.gz SUEXTQGAMNEECN-ZJUUUORDSA-N 1 0 317.842 1.930 10 0 DDAERO CNS(=O)(=O)c1cccc(N[C@H](C)C[C@H]2CCCC[NH2+]2)c1 ZINC000093484556 193258805 /nfs/dbraw/zinc/25/88/05/193258805.db2.gz NEUJAKUHYMSCCE-CHWSQXEVSA-N 1 0 311.451 1.927 10 0 DDAERO CC(C)(C[NH2+]C1CCN(c2ccccn2)CC1)S(C)(=O)=O ZINC000093523424 193263638 /nfs/dbraw/zinc/26/36/38/193263638.db2.gz ULZIVTKKYIAPFS-UHFFFAOYSA-N 1 0 311.451 1.463 10 0 DDAERO CC[NH2+][C@]1(C(N)=O)CCC[C@H]1CCN(CC)CC(F)(F)F ZINC000093589870 193271876 /nfs/dbraw/zinc/27/18/76/193271876.db2.gz VVPMWJYHTDASCG-WCQYABFASA-N 1 0 309.376 1.894 10 0 DDAERO CCCCOCCOCC[C@H]1CCC[C@]1([NH2+]CC)C(N)=O ZINC000093618614 193275333 /nfs/dbraw/zinc/27/53/33/193275333.db2.gz NRUAURRPBISDCU-GDBMZVCRSA-N 1 0 300.443 1.844 10 0 DDAERO CCC[NH2+]Cc1cccn1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093698534 193292919 /nfs/dbraw/zinc/29/29/19/193292919.db2.gz MPNFRDUNOPMEDW-CQSZACIVSA-N 1 0 313.467 1.659 10 0 DDAERO CC[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccn1 ZINC000093699897 193293976 /nfs/dbraw/zinc/29/39/76/193293976.db2.gz IJZHVUDLVVDWOX-HIFRSBDPSA-N 1 0 311.451 1.794 10 0 DDAERO CCC[NH2+][C@@H](COCCC)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700170 193294130 /nfs/dbraw/zinc/29/41/30/193294130.db2.gz OKRHPYGKQOPQGD-HUUCEWRRSA-N 1 0 320.499 1.843 10 0 DDAERO Cc1cccc(C[C@H]([NH3+])C[C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000093700141 193294250 /nfs/dbraw/zinc/29/42/50/193294250.db2.gz HOLRMKZGZFMRAT-HOTGVXAUSA-N 1 0 310.463 1.927 10 0 DDAERO C[NH2+][C@@H](Cc1cccs1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700203 193294387 /nfs/dbraw/zinc/29/43/87/193294387.db2.gz PIRSCHSGMAJRGB-QWHCGFSZSA-N 1 0 316.492 1.940 10 0 DDAERO COCC[NH2+]C[C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000093701575 193294968 /nfs/dbraw/zinc/29/49/68/193294968.db2.gz WJSCMOZYJNCXLJ-GJZGRUSLSA-N 1 0 320.499 1.556 10 0 DDAERO CS(=O)(=O)N1CCC[C@@H](CC2(c3ccccc3)C[NH2+]C2)C1 ZINC000093703120 193295742 /nfs/dbraw/zinc/29/57/42/193295742.db2.gz GIXRIXWTEOMWDP-AWEZNQCLSA-N 1 0 308.447 1.589 10 0 DDAERO COCC[NH2+]C[C@@H](O)Cc1cc(F)cc(Br)c1 ZINC000094004616 193337848 /nfs/dbraw/zinc/33/78/48/193337848.db2.gz BILQDMWPTNLCQR-LBPRGKRZSA-N 1 0 306.175 1.728 10 0 DDAERO CN[C@@]1(C(=O)OC)CC[C@@H]([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000093831939 193314384 /nfs/dbraw/zinc/31/43/84/193314384.db2.gz AZUHZLQWHNCEAZ-YPMHNXCESA-N 1 0 308.344 1.944 10 0 DDAERO C[NH2+][C@]1(CO)CC[C@@H](n2nc(C)c(Br)c2C)C1 ZINC000093857651 193319350 /nfs/dbraw/zinc/31/93/50/193319350.db2.gz MEGOVCDHLJGDFM-ZYHUDNBSSA-N 1 0 302.216 1.938 10 0 DDAERO NS(=O)(=O)c1ccc(Cl)c(NCC2CC[NH2+]CC2)c1 ZINC000094010148 193338822 /nfs/dbraw/zinc/33/88/22/193338822.db2.gz VJXASJFLWGMBKS-UHFFFAOYSA-N 1 0 303.815 1.399 10 0 DDAERO CCc1nn(CC)c(C[C@@H]([NH3+])[C@H]2CN(C)CCN2C)c1Cl ZINC000093894221 193323529 /nfs/dbraw/zinc/32/35/29/193323529.db2.gz QHRAKRLUFWZWGD-BXUZGUMPSA-N 1 0 313.877 1.234 10 0 DDAERO CCCN(CC(C)(C)C[NH3+])S(=O)(=O)c1sc(=O)[nH]c1C ZINC000093890943 193324205 /nfs/dbraw/zinc/32/42/05/193324205.db2.gz MKESKNWBXGJMEU-UHFFFAOYSA-N 1 0 321.468 1.130 10 0 DDAERO CC[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)[C@@H]1CN(C)CCN1C ZINC000093895491 193325472 /nfs/dbraw/zinc/32/54/72/193325472.db2.gz PPDUEHFAESEPCR-JSGCOSHPSA-N 1 0 313.877 1.148 10 0 DDAERO CCN1CCO[C@H]([C@@H](Cc2c(Cl)c(C)nn2C)[NH2+]C)C1 ZINC000093914369 193328740 /nfs/dbraw/zinc/32/87/40/193328740.db2.gz GDRIZEBEDOGMMM-YPMHNXCESA-N 1 0 300.834 1.233 10 0 DDAERO CCCN(CC1CC[NH2+]CC1)S(=O)(=O)c1cn(CC)cn1 ZINC000094023992 193339507 /nfs/dbraw/zinc/33/95/07/193339507.db2.gz YJPXESDILQAMAB-UHFFFAOYSA-N 1 0 314.455 1.303 10 0 DDAERO [NH3+]C1(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CCC1 ZINC000094293821 193356721 /nfs/dbraw/zinc/35/67/21/193356721.db2.gz GMYZMSQRQYSBJI-UHFFFAOYSA-N 1 0 318.345 1.893 10 0 DDAERO C[NH2+][C@@H](c1ccccc1)[C@@H](C(C)C)N(C)CCS(C)(=O)=O ZINC000094298123 193357924 /nfs/dbraw/zinc/35/79/24/193357924.db2.gz PZSYJYCQXKAVGZ-JKSUJKDBSA-N 1 0 312.479 1.948 10 0 DDAERO C[NH2+]Cc1c2ccccc2oc1CN(C)CCS(C)(=O)=O ZINC000094300817 193358378 /nfs/dbraw/zinc/35/83/78/193358378.db2.gz UMPXEEJFDONPHH-UHFFFAOYSA-N 1 0 310.419 1.629 10 0 DDAERO CCC[NH2+][C@H](C)c1csc(N(C)CCS(C)(=O)=O)n1 ZINC000094301114 193358906 /nfs/dbraw/zinc/35/89/06/193358906.db2.gz RFZOTSKHZBFWAM-SNVBAGLBSA-N 1 0 305.469 1.685 10 0 DDAERO CC[NH2+][C@H](C)c1sc(N(C)CCS(C)(=O)=O)nc1C ZINC000094301129 193358957 /nfs/dbraw/zinc/35/89/57/193358957.db2.gz LQYXSDMXBCUWTR-SECBINFHSA-N 1 0 305.469 1.603 10 0 DDAERO CC[C@H]1COCCN1c1nc(C(F)(F)F)ccc1C(N)=[NH2+] ZINC000094336684 193361126 /nfs/dbraw/zinc/36/11/26/193361126.db2.gz NEBAIGOXUPYPMX-QMMMGPOBSA-N 1 0 302.300 2.000 10 0 DDAERO CCC[C@H](C(=O)Nc1cc(Br)c[nH]c1=O)[NH+](C)C ZINC000094056688 193341426 /nfs/dbraw/zinc/34/14/26/193341426.db2.gz VFKRCZZNCCFLOU-SNVBAGLBSA-N 1 0 316.199 1.806 10 0 DDAERO C[NH+](C)C[C@@H](NC(=O)[C@](C)(N)C(F)(F)F)c1ccccc1 ZINC000094236554 193353756 /nfs/dbraw/zinc/35/37/56/193353756.db2.gz SNMUNBQODZKSAO-YPMHNXCESA-N 1 0 303.328 1.685 10 0 DDAERO COc1ccc(C[NH3+])c(O[C@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000094634487 193386186 /nfs/dbraw/zinc/38/61/86/193386186.db2.gz GNZHPGAHMMZIFM-KBPBESRZSA-N 1 0 313.419 1.889 10 0 DDAERO CCOC(OCC)[C@@H]([NH2+]C)[C@H]1CCOC2(CCOCC2)C1 ZINC000094408012 193367599 /nfs/dbraw/zinc/36/75/99/193367599.db2.gz ZFFUNAVOFVYLGH-KBPBESRZSA-N 1 0 301.427 1.949 10 0 DDAERO COCCC[N@H+](CCOC)C[C@H]1C(=O)C(C)(C)OC1(C)C ZINC000094429046 193368812 /nfs/dbraw/zinc/36/88/12/193368812.db2.gz DTQBXHWNNOPPEP-ZDUSSCGKSA-N 1 0 301.427 1.744 10 0 DDAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccnc(C(N)=S)c1 ZINC000094446096 193370786 /nfs/dbraw/zinc/37/07/86/193370786.db2.gz XHLCAFMYESMTBX-GXTWGEPZSA-N 1 0 304.463 1.774 10 0 DDAERO Brc1cn2ccnc2c(N[C@H]2C[NH+]3CCC2CC3)n1 ZINC000094486789 193372588 /nfs/dbraw/zinc/37/25/88/193372588.db2.gz KSICCIYRWZEFJE-JTQLQIEISA-N 1 0 322.210 1.998 10 0 DDAERO COc1cc(OC)c(NC(=O)[C@H]2CC[C@@H](C[NH3+])O2)cc1Cl ZINC000094563320 193379901 /nfs/dbraw/zinc/37/99/01/193379901.db2.gz GFFLELWPFAHLBQ-GZMMTYOYSA-N 1 0 314.769 1.802 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1cc(Br)ccc1O ZINC000094573547 193381659 /nfs/dbraw/zinc/38/16/59/193381659.db2.gz HIASXFOZYRBLKK-SCZZXKLOSA-N 1 0 315.167 1.328 10 0 DDAERO C[C@@H]1CN(c2nc3ccc(Br)cn3n2)C[C@H](C)[NH2+]1 ZINC000094608249 193384588 /nfs/dbraw/zinc/38/45/88/193384588.db2.gz JYJLGQXXYGBDLY-DTORHVGOSA-N 1 0 310.199 1.678 10 0 DDAERO CN(CCOCC1CC1)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000094987336 193410901 /nfs/dbraw/zinc/41/09/01/193410901.db2.gz GTNKSZFPYINKRP-UHFFFAOYSA-N 1 0 312.435 1.334 10 0 DDAERO C[C@@H](CNS(=O)(=O)c1cccc2cc(N)ccc21)[NH+](C)C ZINC000094787202 193398654 /nfs/dbraw/zinc/39/86/54/193398654.db2.gz YJZQHRKINWSMFI-NSHDSACASA-N 1 0 307.419 1.650 10 0 DDAERO O=[S@](C[C@@H]1CCC[NH2+]C1)c1cccc(Br)n1 ZINC000095092401 193423260 /nfs/dbraw/zinc/42/32/60/193423260.db2.gz VRGRXNNPECYDAL-ABKXIKBNSA-N 1 0 303.225 1.951 10 0 DDAERO O=C(C1CC=CC1)N1Cc2nccn2C[C@H](C[NH+]2CCCC2)C1 ZINC000096066959 193518116 /nfs/dbraw/zinc/51/81/16/193518116.db2.gz FAODEJDLELSEFX-HNNXBMFYSA-N 1 0 314.433 1.904 10 0 DDAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(O)ccc1Br ZINC000282462085 217014271 /nfs/dbraw/zinc/01/42/71/217014271.db2.gz UAOGRTSCJNORAS-PRHODGIISA-N 1 0 313.195 1.911 10 0 DDAERO C[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1snnc1C ZINC000097309395 193706714 /nfs/dbraw/zinc/70/67/14/193706714.db2.gz BAVLAQWXCNDYPS-WDEREUQCSA-N 1 0 318.468 1.169 10 0 DDAERO C[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1cccnc1C ZINC000097309215 193707030 /nfs/dbraw/zinc/70/70/30/193707030.db2.gz QXVYZESZFALGIZ-HIFRSBDPSA-N 1 0 311.451 1.712 10 0 DDAERO COc1cc2c(cc1OC)CN([C@]1(C[NH3+])CCSC1)CC2 ZINC000020557611 182231509 /nfs/dbraw/zinc/23/15/09/182231509.db2.gz BRJAWHVBSINMMN-INIZCTEOSA-N 1 0 308.447 1.896 10 0 DDAERO Cn1ncc(NC[C@@]2(C)CCC[NH2+]C2)c(Br)c1=O ZINC000160020783 197380255 /nfs/dbraw/zinc/38/02/55/197380255.db2.gz JRBIBZGHJVXHKZ-LBPRGKRZSA-N 1 0 315.215 1.344 10 0 DDAERO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)c1ccc(O)cc1 ZINC000020551901 182230898 /nfs/dbraw/zinc/23/08/98/182230898.db2.gz WDTQRRGXRDYQLO-LLVKDONJSA-N 1 0 306.387 1.890 10 0 DDAERO CN(CCc1ccccn1)S(=O)(=O)c1ccccc1C[NH3+] ZINC000021514287 182277507 /nfs/dbraw/zinc/27/75/07/182277507.db2.gz JQYYADBTSULAKR-UHFFFAOYSA-N 1 0 305.403 1.404 10 0 DDAERO CC(C)C[C@H](CCO)CNC(=O)NC[C@H](C)N1CCOCC1 ZINC000173827522 248349075 /nfs/dbraw/zinc/34/90/75/248349075.db2.gz GKEIQXMQPKNZSE-GJZGRUSLSA-N 1 0 315.458 1.051 10 0 DDAERO [NH3+]CCCS(=O)(=O)Nc1ccc(F)cc1Br ZINC000037719452 182920111 /nfs/dbraw/zinc/92/01/11/182920111.db2.gz IIZFUTLLUDZIKF-UHFFFAOYSA-N 1 0 311.176 1.679 10 0 DDAERO COC(=O)c1cc(NC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)ccc1Cl ZINC000040632689 183112076 /nfs/dbraw/zinc/11/20/76/183112076.db2.gz DZHAOEKZBUTTDW-BXKDBHETSA-N 1 0 312.753 1.442 10 0 DDAERO CO[C@@H]1C[NH2+][C@H](C(=O)N(C)Cc2c(F)cccc2Cl)C1 ZINC000040634596 183112633 /nfs/dbraw/zinc/11/26/33/183112633.db2.gz ZFYHTHAXKLHQQR-ZANVPECISA-N 1 0 300.761 1.814 10 0 DDAERO CCOC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000040615471 183109628 /nfs/dbraw/zinc/10/96/28/183109628.db2.gz IAIULCRZWMZSKC-HNNXBMFYSA-N 1 0 304.390 1.811 10 0 DDAERO CC(C)[N@@H+]1CC[C@@H](CN[C@@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000040623615 183109684 /nfs/dbraw/zinc/10/96/84/183109684.db2.gz MEKONGNCCJFAEJ-DZGCQCFKSA-N 1 0 308.447 1.835 10 0 DDAERO O=S(=O)(Nc1cccc(-c2nccs2)c1)N1CC[NH2+]CC1 ZINC000040861581 183144146 /nfs/dbraw/zinc/14/41/46/183144146.db2.gz XWSMKWMSEOODQD-UHFFFAOYSA-N 1 0 324.431 1.372 10 0 DDAERO CC(C)[NH2+]CCC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000040855792 183142856 /nfs/dbraw/zinc/14/28/56/183142856.db2.gz BVCRHAOWMXDODK-GFCCVEGCSA-N 1 0 312.435 1.655 10 0 DDAERO CN1CCN(Nc2[nH+]cnc(N3CCCCCC3)c2N)CC1 ZINC000040725443 183125117 /nfs/dbraw/zinc/12/51/17/183125117.db2.gz GPLCSRJARTYECR-UHFFFAOYSA-N 1 0 305.430 1.014 10 0 DDAERO Cc1nnc([C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)[nH]1 ZINC000334004333 249175954 /nfs/dbraw/zinc/17/59/54/249175954.db2.gz STSSVOHGTXFCMN-KBPBESRZSA-N 1 0 305.426 1.692 10 0 DDAERO C[C@H]1CN(S(=O)(=O)Cc2ccccc2C[NH3+])CC(C)(C)O1 ZINC000041676031 183215121 /nfs/dbraw/zinc/21/51/21/183215121.db2.gz SYYSPCFCIQATNI-LBPRGKRZSA-N 1 0 312.435 1.474 10 0 DDAERO C[C@@H]([NH3+])Cc1cccc(Br)c1OCCC(N)=O ZINC000042412811 183266750 /nfs/dbraw/zinc/26/67/50/183266750.db2.gz CMMZYPNGZOLJQU-MRVPVSSYSA-N 1 0 301.184 1.593 10 0 DDAERO C[C@@H](Oc1c(Br)cccc1C[C@H](C)[NH3+])C(N)=O ZINC000042412828 183266836 /nfs/dbraw/zinc/26/68/36/183266836.db2.gz PUAYCRYZPZJMQK-JGVFFNPUSA-N 1 0 301.184 1.591 10 0 DDAERO CCO[C@@H]1CCCN(S(=O)(=O)c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000042425644 183268526 /nfs/dbraw/zinc/26/85/26/183268526.db2.gz UEZXQDVVNRXNRT-TZMCWYRMSA-N 1 0 312.435 1.896 10 0 DDAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N(CCO)C2CC2)cc1 ZINC000042481224 183275338 /nfs/dbraw/zinc/27/53/38/183275338.db2.gz GQKONDMWNZYAOW-UHFFFAOYSA-N 1 0 312.435 1.330 10 0 DDAERO CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N(CCO)C2CC2)cc1 ZINC000042481086 183275416 /nfs/dbraw/zinc/27/54/16/183275416.db2.gz UPLDEAAUBDNRAK-GFCCVEGCSA-N 1 0 312.435 1.503 10 0 DDAERO COC[C@H](O)C[N@H+](C)CCC(=O)Nc1ccc(Cl)c(N)c1 ZINC000042483183 183275418 /nfs/dbraw/zinc/27/54/18/183275418.db2.gz KSBBTAWWLDVTQJ-LLVKDONJSA-N 1 0 315.801 1.190 10 0 DDAERO COC(=O)C[C@@H]([NH2+]C1CCS(=O)CC1)c1cccs1 ZINC000042337129 183255931 /nfs/dbraw/zinc/25/59/31/183255931.db2.gz IOVKFWONMIIFLQ-IOXDFOJHSA-N 1 0 301.433 1.853 10 0 DDAERO CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N(C)CC(N)=O ZINC000042953051 183322168 /nfs/dbraw/zinc/32/21/68/183322168.db2.gz XBGKOVRDKHQXKL-AAEUAGOBSA-N 1 0 314.227 1.645 10 0 DDAERO COc1ccc([C@@H](Sc2nc(N)cc(N)n2)[C@H](C)[NH3+])cc1 ZINC000042965230 183324355 /nfs/dbraw/zinc/32/43/55/183324355.db2.gz VCMLHZUCRCIVTP-SDBXPKJASA-N 1 0 305.407 1.830 10 0 DDAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Cl)N1CCN(CCO)CC1 ZINC000043051512 183332834 /nfs/dbraw/zinc/33/28/34/183332834.db2.gz XMVUWZXYSUMISB-JKSUJKDBSA-N 1 0 311.857 1.728 10 0 DDAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)s1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043241147 183346160 /nfs/dbraw/zinc/34/61/60/183346160.db2.gz ABQIUBVHPKGJQC-YRGRVCCFSA-N 1 0 316.492 1.954 10 0 DDAERO Cn1nnnc1S[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000043283288 183350860 /nfs/dbraw/zinc/35/08/60/183350860.db2.gz HOSOMQVFGJXOIO-LURJTMIESA-N 1 0 320.241 1.826 10 0 DDAERO COc1ccc([C@@H]([NH3+])[C@H]2CCS(=O)(=O)C2)c(OC)c1OC ZINC000043300004 183352495 /nfs/dbraw/zinc/35/24/95/183352495.db2.gz FADDDIRZHUGENZ-CABZTGNLSA-N 1 0 315.391 1.147 10 0 DDAERO [NH3+][C@H](c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300014 183352594 /nfs/dbraw/zinc/35/25/94/183352594.db2.gz BBFNLYGGQYHXMU-MWLCHTKSSA-N 1 0 304.209 1.884 10 0 DDAERO CC[N@@H+]1CC[C@H](CNc2nc3c(cc2C(N)=S)CCC3)C1 ZINC000043408651 183359631 /nfs/dbraw/zinc/35/96/31/183359631.db2.gz URLHGUWFKNKXLZ-LLVKDONJSA-N 1 0 304.463 1.958 10 0 DDAERO C[C@H]([NH3+])[C@H](c1ccccc1Br)N(CCO)CCO ZINC000043092460 183335513 /nfs/dbraw/zinc/33/55/13/183335513.db2.gz OJYRFLJQFNWTJQ-GXFFZTMASA-N 1 0 317.227 1.124 10 0 DDAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Br)N1CCNC(=O)C1 ZINC000043090588 183335538 /nfs/dbraw/zinc/33/55/38/183335538.db2.gz LUXJSMMHGCVBSV-RNCFNFMXSA-N 1 0 312.211 1.269 10 0 DDAERO C[C@H]([NH3+])[C@H](c1ccccc1Br)N(C)CC(N)=O ZINC000043091455 183335660 /nfs/dbraw/zinc/33/56/60/183335660.db2.gz CFKDQLRVDGHTLR-QPUJVOFHSA-N 1 0 300.200 1.255 10 0 DDAERO COCCN(C(=O)CC[C@@H]1CCC[NH2+]C1)[C@H]1CCSC1 ZINC000043589193 183373859 /nfs/dbraw/zinc/37/38/59/183373859.db2.gz DXLGMESRDLLVIX-KBPBESRZSA-N 1 0 300.468 1.747 10 0 DDAERO CN(C)S(=O)(=O)c1ccc(NCC(C)(C)[NH+](C)C)c(N)c1 ZINC000043411206 183360289 /nfs/dbraw/zinc/36/02/89/183360289.db2.gz FRWCQZIAUQPOCN-UHFFFAOYSA-N 1 0 314.455 1.271 10 0 DDAERO CCCC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000104368520 194003282 /nfs/dbraw/zinc/00/32/82/194003282.db2.gz MLSYLBCACWAGJM-GJZGRUSLSA-N 1 0 309.454 1.768 10 0 DDAERO CC(C)n1cc([C@]2(O)CC[N@H+](CCOc3ccccc3)C2)nn1 ZINC000284538342 218068994 /nfs/dbraw/zinc/06/89/94/218068994.db2.gz DSHVSBRUOLBSNH-KRWDZBQOSA-N 1 0 316.405 1.831 10 0 DDAERO CC(C)n1cc([C@]2(O)CCC[N@H+](CCc3ccncc3)C2)nn1 ZINC000284584220 218088661 /nfs/dbraw/zinc/08/86/61/218088661.db2.gz JOIRIDUGLKFDFD-KRWDZBQOSA-N 1 0 315.421 1.780 10 0 DDAERO CN1CCO[C@H](CNC(=O)NCc2ccc(F)c(Cl)c2)C1 ZINC000104795075 194040672 /nfs/dbraw/zinc/04/06/72/194040672.db2.gz WJCNVIHHXILNDY-LLVKDONJSA-N 1 0 315.776 1.609 10 0 DDAERO CCC[NH+](CCC)CCCNC(=O)NC[C@H]1CN(C)CCO1 ZINC000105241791 194087936 /nfs/dbraw/zinc/08/79/36/194087936.db2.gz 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313.357 1.596 10 0 DDAERO CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC1CC[NH2+]CC1 ZINC000262206791 407766901 /nfs/dbraw/zinc/76/69/01/407766901.db2.gz WFPUGRFUPMFFTF-HNNXBMFYSA-N 1 0 321.396 1.448 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1ccc(Sc2nncs2)cc1 ZINC000262223831 407768620 /nfs/dbraw/zinc/76/86/20/407768620.db2.gz PKXKEAWWHRMVQO-JTQLQIEISA-N 1 0 310.404 1.602 10 0 DDAERO COc1ccc(SCC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000116784427 407777216 /nfs/dbraw/zinc/77/72/16/407777216.db2.gz KBQWIWMFOOANKZ-AWEZNQCLSA-N 1 0 324.446 1.576 10 0 DDAERO CCOCC[N@@H+]1CCN(c2ccc(C(=O)OC)nn2)C[C@@H]1CC ZINC000116871388 407787350 /nfs/dbraw/zinc/78/73/50/407787350.db2.gz BEZBBMKWKBOGDQ-ZDUSSCGKSA-N 1 0 322.409 1.200 10 0 DDAERO C[C@@H]1CC[C@H](NC(=O)NC[C@H](O)C[NH+]2CCCCC2)C[C@@H]1C ZINC000186976533 407805195 /nfs/dbraw/zinc/80/51/95/407805195.db2.gz HZDOSTQNZOYQKH-UGUYLWEFSA-N 1 0 311.470 1.957 10 0 DDAERO Cc1ccc(CCNC(=O)N2CCO[C@H](C[NH+](C)C)C2)c(C)c1 ZINC000117039534 407806074 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DDAERO CCc1noc([C@H](C)N2CC[NH+](CC[C@H]3CCCO3)CC2)n1 ZINC000189189666 408002774 /nfs/dbraw/zinc/00/27/74/408002774.db2.gz LJLZSXKPKFXNLT-UONOGXRCSA-N 1 0 308.426 1.880 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2ccc(C(=O)N(C)C)[nH]2)C[C@H]1C ZINC000245718890 408053085 /nfs/dbraw/zinc/05/30/85/408053085.db2.gz HOAFEXSLBCONPB-CQSZACIVSA-N 1 0 322.453 1.259 10 0 DDAERO CN1CC[NH2+]C[C@@H]1c1noc(CCOc2ccc(F)cc2)n1 ZINC000263218376 408062624 /nfs/dbraw/zinc/06/26/24/408062624.db2.gz LKDNVPDCWFHWDL-CYBMUJFWSA-N 1 0 306.341 1.406 10 0 DDAERO Cc1nn(Cc2nc([C@H]3C[NH2+]CCN3C)no2)c(C)c1Cl ZINC000263236183 408070920 /nfs/dbraw/zinc/07/09/20/408070920.db2.gz OCAZNFLJYGNBRE-SNVBAGLBSA-N 1 0 310.789 1.161 10 0 DDAERO CC[C@H]1CN(Cc2cccc3c2OCO3)CC[N@@H+]1C[C@H](C)O ZINC000245811877 408072158 /nfs/dbraw/zinc/07/21/58/408072158.db2.gz ZKHWGYIFNYQOIQ-ZFWWWQNUSA-N 1 0 306.406 1.692 10 0 DDAERO Cc1nn(-c2ccc(Cl)cc2)cc1CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000263253715 408075488 /nfs/dbraw/zinc/07/54/88/408075488.db2.gz 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C[C@@H]([NH3+])[C@@H]1CCN(c2ccc(I)cn2)C1 ZINC000420231992 278314216 /nfs/dbraw/zinc/31/42/16/278314216.db2.gz KZSQAUHACAUNPN-RKDXNWHRSA-N 1 0 317.174 1.860 10 0 DDAERO CC(C)[C@@H]1N(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)C[C@]12CCCO2 ZINC000333658556 280050692 /nfs/dbraw/zinc/05/06/92/280050692.db2.gz LDVWPNVZLMLXES-PNBKFKSVSA-N 1 0 309.454 1.974 10 0 DDAERO Cc1c(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)cccc1N(C)C ZINC000180191110 280243658 /nfs/dbraw/zinc/24/36/58/280243658.db2.gz QIBDPTODRVHELC-CQSZACIVSA-N 1 0 320.437 1.855 10 0 DDAERO O=C1[C@H]([N@H+]2CC[C@]3(O)CCCC[C@H]3C2)CCN1C1CCOCC1 ZINC000328599227 280325011 /nfs/dbraw/zinc/32/50/11/280325011.db2.gz BVAVQRNQZYTKHC-YXJHDRRASA-N 1 0 322.449 1.393 10 0 DDAERO C[C@H]([NH2+]CCC[S@](C)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000127129345 281265044 /nfs/dbraw/zinc/26/50/44/281265044.db2.gz OUERDDOLFORZAK-BBATYDOGSA-N 1 0 303.449 1.509 10 0 DDAERO C[C@@H]1COC[C@H](C)N1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000248402703 297152233 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[NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1nc(CN2CCOCC2)cs1 ZINC000261718967 484254676 /nfs/dbraw/zinc/25/46/76/484254676.db2.gz JWCIXCQHKLWRDB-DGCLKSJQSA-N 1 0 324.450 1.289 10 0 DDAERO CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C2 ZINC000261819585 484257741 /nfs/dbraw/zinc/25/77/41/484257741.db2.gz SOAFQHFDEDDVAM-HZSPNIEDSA-N 1 0 318.465 1.987 10 0 DDAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCc1csc(N2CCCC2)n1 ZINC000261864255 484258880 /nfs/dbraw/zinc/25/88/80/484258880.db2.gz XEJKVAUMYMIEFW-TZMCWYRMSA-N 1 0 322.478 1.777 10 0 DDAERO COc1cccc(COCc2noc(C[C@H]3CC[NH2+]C3)n2)c1 ZINC000261863835 484258982 /nfs/dbraw/zinc/25/89/82/484258982.db2.gz YVUAZSXZJIPKNS-GFCCVEGCSA-N 1 0 303.362 1.947 10 0 DDAERO CC(C)c1nn(C)c2sc(C(=O)NC[C@H]3C[NH2+]C[C@@H]3O)cc12 ZINC000262075351 484261650 /nfs/dbraw/zinc/26/16/50/484261650.db2.gz BZIVVOBGTZBSQZ-KOLCDFICSA-N 1 0 322.434 1.068 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)C1(Sc2ccccc2)CCCC1 ZINC000262105329 484262219 /nfs/dbraw/zinc/26/22/19/484262219.db2.gz FAHAGBPYHIRNJK-HIFRSBDPSA-N 1 0 320.458 1.788 10 0 DDAERO O[C@H]1C[NH2+]C[C@H]1CNCc1cc(Cl)ccc1Br ZINC000262114691 484262342 /nfs/dbraw/zinc/26/23/42/484262342.db2.gz LBLKMBJUNAIJKU-SKDRFNHKSA-N 1 0 319.630 1.772 10 0 DDAERO COc1ccc(C2(C(=O)NC[C@H]3C[NH2+]C[C@@H]3O)CCCC2)cc1 ZINC000262092701 484262518 /nfs/dbraw/zinc/26/25/18/484262518.db2.gz DDGNVXCLQDHGGB-CJNGLKHVSA-N 1 0 318.417 1.204 10 0 DDAERO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262202619 484265098 /nfs/dbraw/zinc/26/50/98/484265098.db2.gz IGTXCMJUGQHHDF-FVQBIDKESA-N 1 0 320.433 1.582 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000262240229 484266613 /nfs/dbraw/zinc/26/66/13/484266613.db2.gz KWLNTUMSIJQZKN-GWCFXTLKSA-N 1 0 320.780 1.040 10 0 DDAERO Cc1cc(C)c(C)c(OCCC(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000262333336 484269228 /nfs/dbraw/zinc/26/92/28/484269228.db2.gz SLRYQNZVGTYEKA-HUUCEWRRSA-N 1 0 306.406 1.077 10 0 DDAERO CCCc1cccc(C[N@@H+]2CC[C@@](O)(Cn3ccnn3)C2)c1 ZINC000671491467 485074838 /nfs/dbraw/zinc/07/48/38/485074838.db2.gz SCNOKAOSCCRJMD-KRWDZBQOSA-N 1 0 300.406 1.868 10 0 DDAERO O=S(=O)(c1c(F)cc(F)cc1F)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000154357729 527264248 /nfs/dbraw/zinc/26/42/48/527264248.db2.gz VSNSILJUSKIJMS-CYBMUJFWSA-N 1 0 320.336 1.478 10 0 DDAERO C[NH+](C)CCNC(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000000024590 535882751 /nfs/dbraw/zinc/88/27/51/535882751.db2.gz KBGHIJUDYIVIHG-UHFFFAOYSA-N 1 0 310.829 1.733 10 0 DDAERO CO[C@@H]1COC[C@H]1[NH+]1CCC(N(C)c2ccc(C)nn2)CC1 ZINC000333509464 536756969 /nfs/dbraw/zinc/75/69/69/536756969.db2.gz DWJGQVIUTYEALZ-HUUCEWRRSA-N 1 0 306.410 1.099 10 0 DDAERO CCCS(=O)(=O)N1[C@@H](C(F)(F)F)CCC[C@H]1CC[NH3+] ZINC000675073086 568420271 /nfs/dbraw/zinc/42/02/71/568420271.db2.gz KSNGVTSZTALWNC-VHSXEESVSA-N 1 0 302.362 1.860 10 0 DDAERO O=C(OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CNC(=O)C1 ZINC000114989950 696663971 /nfs/dbraw/zinc/66/39/71/696663971.db2.gz PGGQAYXZCNBAEY-HZPDHXFCSA-N 1 0 316.401 1.578 10 0 DDAERO C[C@H]1CC[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)O1 ZINC000123791373 696735232 /nfs/dbraw/zinc/73/52/32/696735232.db2.gz CXBCPQLATYPPAW-XJKSGUPXSA-N 1 0 303.406 1.944 10 0 DDAERO C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)NC(=O)Nc2ccccc2)C1 ZINC000133541394 696827605 /nfs/dbraw/zinc/82/76/05/696827605.db2.gz PNLSDPHHQIIANR-TZMCWYRMSA-N 1 0 304.394 1.407 10 0 DDAERO C[NH+](C)[C@@H]1CCN(CN2c3cccc(Cl)c3C(=O)C2=O)C1 ZINC000170842580 697350951 /nfs/dbraw/zinc/35/09/51/697350951.db2.gz YQAWLRCITBPEMW-SNVBAGLBSA-N 1 0 307.781 1.463 10 0 DDAERO Cc1ccc2oc(=O)n(CN3CC[C@@H](N4CCOCC4)C3)c2c1 ZINC000172959529 697374475 /nfs/dbraw/zinc/37/44/75/697374475.db2.gz DVZUAYKTUVOZNO-CQSZACIVSA-N 1 0 317.389 1.267 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000174083807 697384108 /nfs/dbraw/zinc/38/41/08/697384108.db2.gz BPCKCKMNVZXZDW-HOTGVXAUSA-N 1 0 312.841 1.762 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)Cn1nc(C(C)(C)C)ccc1=O ZINC000177163428 697409999 /nfs/dbraw/zinc/40/99/99/697409999.db2.gz ATFJDQPTBSCVBW-AWEZNQCLSA-N 1 0 306.454 1.914 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)Cn1nc(-c2cccs2)oc1=O ZINC000177161956 697410052 /nfs/dbraw/zinc/41/00/52/697410052.db2.gz SNSQDVNTXVASBU-LBPRGKRZSA-N 1 0 322.434 1.938 10 0 DDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F ZINC000178501768 697425658 /nfs/dbraw/zinc/42/56/58/697425658.db2.gz AQXAJMYHCOQJIT-ZKYQVNSYSA-N 1 0 318.339 1.926 10 0 DDAERO COC(=O)N1CC(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)C1 ZINC000178652188 697427267 /nfs/dbraw/zinc/42/72/67/697427267.db2.gz MOCXOXGNLPDEBF-AWEZNQCLSA-N 1 0 320.393 1.039 10 0 DDAERO CNC(=O)[C@H]([NH2+]Cc1cc(=O)oc2cc(C)ccc12)C(C)C ZINC000183659212 697491441 /nfs/dbraw/zinc/49/14/41/697491441.db2.gz QDWULGIBOVVGIB-MRXNPFEDSA-N 1 0 302.374 1.962 10 0 DDAERO CCOC1CC(CC(=O)N2CC[N@H+](CCOC)[C@H](CC)C2)C1 ZINC000191739199 697613389 /nfs/dbraw/zinc/61/33/89/697613389.db2.gz XMFTUBDDEORAKG-HWOWSKLDSA-N 1 0 312.454 1.761 10 0 DDAERO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000193452205 697667895 /nfs/dbraw/zinc/66/78/95/697667895.db2.gz WTRFSEVOCYHCSF-RDDDGLTNSA-N 1 0 308.325 1.523 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@](C)(O)c2cc(C)oc2C)C1 ZINC000246150847 698344272 /nfs/dbraw/zinc/34/42/72/698344272.db2.gz KFWKEHSAAFMRFF-RHSMWYFYSA-N 1 0 323.437 1.887 10 0 DDAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000261614238 698428815 /nfs/dbraw/zinc/42/88/15/698428815.db2.gz ANMUUFTVUOROHG-QMMMGPOBSA-N 1 0 320.798 1.013 10 0 DDAERO C[NH2+][C@H](C)CNC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000261673082 698432056 /nfs/dbraw/zinc/43/20/56/698432056.db2.gz GYHSRHBLRYLDMS-BXUZGUMPSA-N 1 0 305.378 1.142 10 0 DDAERO CN1CCc2ccc(NC(=O)[C@@H]([NH3+])C3CCOCC3)cc2C1=O ZINC000261756004 698435996 /nfs/dbraw/zinc/43/59/96/698435996.db2.gz LKOWHCCLIXCBKR-HNNXBMFYSA-N 1 0 317.389 1.007 10 0 DDAERO Cn1ccnc1CN(Cc1cocn1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261928436 698445528 /nfs/dbraw/zinc/44/55/28/698445528.db2.gz LFUQVOVIHWBOIR-CQSZACIVSA-N 1 0 301.394 1.552 10 0 DDAERO COc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)c1 ZINC000261974287 698448549 /nfs/dbraw/zinc/44/85/49/698448549.db2.gz QVMDXIURYRFESZ-BRSBDYLESA-N 1 0 320.433 1.475 10 0 DDAERO Cc1c(S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])c2ccccc2n1C ZINC000261993080 698449331 /nfs/dbraw/zinc/44/93/31/698449331.db2.gz FFNXKKBURPALMO-OCCSQVGLSA-N 1 0 321.446 1.892 10 0 DDAERO CCO[C@@H](C)c1nc(CN(C)C(=O)[C@@H]([NH3+])COC)cs1 ZINC000262307036 698463853 /nfs/dbraw/zinc/46/38/53/698463853.db2.gz OOCVTJFHUDQJIU-ONGXEEELSA-N 1 0 301.412 1.173 10 0 DDAERO CON1CCC([NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC000323055549 698738687 /nfs/dbraw/zinc/73/86/87/698738687.db2.gz JCGWIAIGYNGAAY-LBPRGKRZSA-N 1 0 301.431 1.857 10 0 DDAERO C[C@H]([NH2+][C@@H]1COC[C@@H]1O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000323465567 698740410 /nfs/dbraw/zinc/74/04/10/698740410.db2.gz WPFRORGHGDGTDA-FQUUOJAGSA-N 1 0 314.426 1.371 10 0 DDAERO CC(C)(C)OC(=O)N1C[C@@H](C[NH2+]C(C2CC2)C2CC2)[C@H](O)C1 ZINC000702846543 699234159 /nfs/dbraw/zinc/23/41/59/699234159.db2.gz QYOYRULBANMVII-ZIAGYGMSSA-N 1 0 310.438 1.992 10 0 DDAERO C[C@@H]1CN(c2ccc(S(=O)(=O)C(F)F)cc2)C[C@@H]1C[NH3+] ZINC000708829284 699250990 /nfs/dbraw/zinc/25/09/90/699250990.db2.gz BGICQDMWNJJDQS-ZJUUUORDSA-N 1 0 304.362 1.714 10 0 DDAERO O=C(CC(F)(F)C(F)(F)F)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000713191930 699265250 /nfs/dbraw/zinc/26/52/50/699265250.db2.gz CFPUWYKCMKSDLY-SFYZADRCSA-N 1 0 302.243 1.163 10 0 DDAERO [NH3+]C[C@H]1C[C@H](C(=O)Nc2ccc(Br)c(F)c2)CO1 ZINC000713823822 699267383 /nfs/dbraw/zinc/26/73/83/699267383.db2.gz XHVWGTXMOUXNDW-IONNQARKSA-N 1 0 317.158 1.891 10 0 DDAERO Cc1cnn(CC[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)c1 ZINC000724024414 699323807 /nfs/dbraw/zinc/32/38/07/699323807.db2.gz QLWPRQBIEJSBLQ-SECBINFHSA-N 1 0 301.259 1.730 10 0 DDAERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC000886078173 708693895 /nfs/dbraw/zinc/69/38/95/708693895.db2.gz PERNTFHCJJJABE-CFVMTHIKSA-N 1 0 319.405 1.055 10 0 DDAERO CCc1noc(C)c1C[N@@H+]1CCC[C@](O)(Cc2nc(C)no2)C1 ZINC000886091704 708696394 /nfs/dbraw/zinc/69/63/94/708696394.db2.gz MNMDOFIJEJJQGL-INIZCTEOSA-N 1 0 320.393 1.806 10 0 DDAERO Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000888077109 709209726 /nfs/dbraw/zinc/20/97/26/709209726.db2.gz KGTNKOAMFWOBJF-RCCFBDPRSA-N 1 0 323.400 1.841 10 0 DDAERO C[C@H](COCc1ccccc1)NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900870238 709800094 /nfs/dbraw/zinc/80/00/94/709800094.db2.gz KAVIVSAAXAPDRM-UNEWFSDZSA-N 1 0 306.406 1.163 10 0 DDAERO C/C=C/[C@@H](O)C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000907571179 712596884 /nfs/dbraw/zinc/59/68/84/712596884.db2.gz REOILIYMDMOQCW-KBVWBPSGSA-N 1 0 312.410 1.714 10 0 DDAERO CC[NH2+][C@@H]1CCC2(C[C@@H]1Sc1nccc(=O)[nH]1)OCCO2 ZINC000081774305 192322821 /nfs/dbraw/zinc/32/28/21/192322821.db2.gz WZNREXPORFONMU-MNOVXSKESA-N 1 0 311.407 1.548 10 0 DDAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000248645260 282095410 /nfs/dbraw/zinc/09/54/10/282095410.db2.gz GESAXASZTJIZFS-JKSUJKDBSA-N 1 0 314.470 1.648 10 0 DDAERO CCC[NH2+][C@@H]1CCOC[C@@H]1Sc1n[nH]c(=O)n1C(C)C ZINC000081879585 192334460 /nfs/dbraw/zinc/33/44/60/192334460.db2.gz PQQXISASTJOUOC-MNOVXSKESA-N 1 0 300.428 1.402 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)CCc2cccc(F)c2F)CCO1 ZINC000116795160 282123072 /nfs/dbraw/zinc/12/30/72/282123072.db2.gz JNMQCFIRHSBNFG-CYBMUJFWSA-N 1 0 312.360 1.686 10 0 DDAERO CN(CC[N@H+](C)CCO)Cc1ccc(Br)cn1 ZINC000623091049 365651963 /nfs/dbraw/zinc/65/19/63/365651963.db2.gz MBBKBXSMTZRRIO-UHFFFAOYSA-N 1 0 302.216 1.200 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)C2CC2)CCO1 ZINC000155427084 282124892 /nfs/dbraw/zinc/12/48/92/282124892.db2.gz BTRJHNLMZQPBSH-SJORKVTESA-N 1 0 302.418 1.969 10 0 DDAERO CC[NH2+][C@H](CS(=O)(=O)CCOC)c1cccc(OC)c1 ZINC000081944083 192344428 /nfs/dbraw/zinc/34/44/28/192344428.db2.gz BYEIJRVZOYDDJJ-CQSZACIVSA-N 1 0 301.408 1.407 10 0 DDAERO COCCS(=O)(=O)C[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000081944816 192345136 /nfs/dbraw/zinc/34/51/36/192345136.db2.gz PUTNLOHBIZEUSD-NSHDSACASA-N 1 0 311.325 1.766 10 0 DDAERO CCC[NH2+][C@@H]1CCOC[C@H]1S(=O)(=O)c1cc(F)ccc1F ZINC000081946049 192345544 /nfs/dbraw/zinc/34/55/44/192345544.db2.gz JOIJJUGGNDPXEN-TZMCWYRMSA-N 1 0 319.373 1.896 10 0 DDAERO CCC[NH2+][C@H]1CCOC[C@H]1S(=O)(=O)c1cc(F)ccc1F ZINC000081946051 192345673 /nfs/dbraw/zinc/34/56/73/192345673.db2.gz JOIJJUGGNDPXEN-GXTWGEPZSA-N 1 0 319.373 1.896 10 0 DDAERO Cc1cccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000082314438 185175197 /nfs/dbraw/zinc/17/51/97/185175197.db2.gz VQSWLKWUPRFCHX-INIZCTEOSA-N 1 0 301.434 1.985 10 0 DDAERO CC(C)([C@H](O)[C@H](C[NH3+])c1ccc(F)cc1Cl)S(C)(=O)=O ZINC000087380788 185223001 /nfs/dbraw/zinc/22/30/01/185223001.db2.gz VIIAOKZWRPGYBB-ZYHUDNBSSA-N 1 0 323.817 1.706 10 0 DDAERO CC[C@H](C[NH3+])NC(=O)c1cc(OC)ccc1Br ZINC000087385615 185223438 /nfs/dbraw/zinc/22/34/38/185223438.db2.gz PASFWXQNJBJZKR-MRVPVSSYSA-N 1 0 301.184 1.925 10 0 DDAERO CC[C@@H](C[NH3+])C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000087532566 185227660 /nfs/dbraw/zinc/22/76/60/185227660.db2.gz VSUJMHVEHKMWHC-NSHDSACASA-N 1 0 313.423 1.297 10 0 DDAERO CCC[C@@H](C[NH3+])C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000087532682 185227688 /nfs/dbraw/zinc/22/76/88/185227688.db2.gz DABHJTCRZJSPIE-YPMHNXCESA-N 1 0 312.435 1.642 10 0 DDAERO [NH3+][C@@H]1COC[C@H]1C(=O)NCc1sccc1Br ZINC000087575754 185228824 /nfs/dbraw/zinc/22/88/24/185228824.db2.gz IACMIOCRNOCEKD-HTRCEHHLSA-N 1 0 305.197 1.101 10 0 DDAERO CCC(C)(C)[C@@H]1CC[C@@H]([NH2+]C)[C@H](S(=O)(=O)CC(=O)OC)C1 ZINC000081976519 192347864 /nfs/dbraw/zinc/34/78/64/192347864.db2.gz OJPZWNRPIUWJMJ-JHJVBQTASA-N 1 0 319.467 1.767 10 0 DDAERO [NH3+]CC[S@@](=O)Cc1ccc(I)cc1 ZINC000088062462 185238681 /nfs/dbraw/zinc/23/86/81/185238681.db2.gz PYBOCPQOASNODF-ZDUSSCGKSA-N 1 0 309.172 1.499 10 0 DDAERO Cn1cnnc1Cn1c(N)[nH+]c2ccc(Br)cc21 ZINC000087837415 185233040 /nfs/dbraw/zinc/23/30/40/185233040.db2.gz BOTGWNHUSJQHLR-UHFFFAOYSA-N 1 0 307.155 1.558 10 0 DDAERO C[C@@H](Nc1nc(NN)[nH+]cc1Br)[C@H]1CCCO1 ZINC000087853729 185233594 /nfs/dbraw/zinc/23/35/94/185233594.db2.gz VBRBLEWGNLUNHY-HTRCEHHLSA-N 1 0 302.176 1.504 10 0 DDAERO CC[NH2+][C@H]1CC(C)(C)Cc2c1cnn2[C@H]1CCS(=O)(=O)C1 ZINC000087861953 185233965 /nfs/dbraw/zinc/23/39/65/185233965.db2.gz PRQRYSGITMWPGY-AAEUAGOBSA-N 1 0 311.451 1.866 10 0 DDAERO NNc1nc(Oc2ccc(CO)cc2)c(Br)c[nH+]1 ZINC000087885503 185234301 /nfs/dbraw/zinc/23/43/01/185234301.db2.gz BKHYIAZHVINGDO-UHFFFAOYSA-N 1 0 311.139 1.809 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2cn(C)nc2CC)C[C@H]1CC ZINC000180087880 539235395 /nfs/dbraw/zinc/23/53/95/539235395.db2.gz ZQRSDXJZZMSEIV-MRXNPFEDSA-N 1 0 308.470 1.915 10 0 DDAERO COCCN(C(=O)C[C@@H](C[NH3+])CC(C)C)[C@H]1CCSC1 ZINC000088277224 185244739 /nfs/dbraw/zinc/24/47/39/185244739.db2.gz RNJJNIMKBGVZSB-KBPBESRZSA-N 1 0 302.484 1.978 10 0 DDAERO Cc1c(Br)cccc1C(=O)NC[C@H]([NH3+])[C@@H](C)O ZINC000088442085 185250627 /nfs/dbraw/zinc/25/06/27/185250627.db2.gz CMQHJYOBBPRDBT-KCJUWKMLSA-N 1 0 301.184 1.195 10 0 DDAERO CCOC[C@@H](C)NS(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000088543032 185256059 /nfs/dbraw/zinc/25/60/59/185256059.db2.gz BBELKMJKRJYLTF-GFCCVEGCSA-N 1 0 318.439 1.729 10 0 DDAERO CC[NH2+]C[C@@H](Cc1ncnn1C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000088620173 185260175 /nfs/dbraw/zinc/26/01/75/185260175.db2.gz KKDXGRQHGOPBKM-QWHCGFSZSA-N 1 0 314.455 1.062 10 0 DDAERO CC[NH2+][C@@H]1CCOC[C@@H]1S(=O)(=O)c1cccc(Cl)c1 ZINC000081982030 192349543 /nfs/dbraw/zinc/34/95/43/192349543.db2.gz OFEJXZVHCFIQKP-OLZOCXBDSA-N 1 0 303.811 1.881 10 0 DDAERO COCCCS(=O)(=O)[C@@H]1CCc2cc(OC)ccc2[C@@H]1[NH3+] ZINC000081985711 192349999 /nfs/dbraw/zinc/34/99/99/192349999.db2.gz BJUAPIIYFAVTFW-CABCVRRESA-N 1 0 313.419 1.461 10 0 DDAERO C[NH2+][C@@H]1c2ccccc2CC[C@@H]1S(=O)(=O)C1CCOCC1 ZINC000081989683 192350308 /nfs/dbraw/zinc/35/03/08/192350308.db2.gz YSQFLPSWARGAAT-JKSUJKDBSA-N 1 0 309.431 1.856 10 0 DDAERO Cc1csc(NC(=O)Cn2cc(C[NH2+]C(C)(C)C)nn2)n1 ZINC000090298056 185289982 /nfs/dbraw/zinc/28/99/82/185289982.db2.gz PBJLYWZZFMGBME-UHFFFAOYSA-N 1 0 308.411 1.570 10 0 DDAERO O=C(c1cccc(Cl)c1Cl)N1CCN(C2C[NH2+]C2)CC1 ZINC000090306930 185290316 /nfs/dbraw/zinc/29/03/16/185290316.db2.gz SOALQFUNCSDCEL-UHFFFAOYSA-N 1 0 314.216 1.723 10 0 DDAERO O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C2C[NH2+]C2)CC1 ZINC000090306853 185290342 /nfs/dbraw/zinc/29/03/42/185290342.db2.gz GAXJGQPHFVUIHN-UHFFFAOYSA-N 1 0 314.216 1.723 10 0 DDAERO CCc1nn(CC)c(CN2CC(N3CC[NH2+]CC3)C2)c1Cl ZINC000090309643 185290525 /nfs/dbraw/zinc/29/05/25/185290525.db2.gz XSMBLUNQRBYYFS-UHFFFAOYSA-N 1 0 311.861 1.208 10 0 DDAERO Cc1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000090322138 185290845 /nfs/dbraw/zinc/29/08/45/185290845.db2.gz GJCIRZDAHNJAJD-GHMZBOCLSA-N 1 0 300.811 1.488 10 0 DDAERO CC(C)(C)c1nnsc1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1(C)C ZINC000090335723 185291477 /nfs/dbraw/zinc/29/14/77/185291477.db2.gz KLJJGBHBHLFGDN-NXEZZACHSA-N 1 0 308.451 1.906 10 0 DDAERO COc1cc([C@@H]2[NH2+]C[C@@H](C)S2)cc(Cl)c1OCC(N)=O ZINC000090341146 185292046 /nfs/dbraw/zinc/29/20/46/185292046.db2.gz QAGMVVVKBSOYRJ-FUXBKTLASA-N 1 0 316.810 1.936 10 0 DDAERO CC[NH2+][C@H]1COC[C@H]1C(=O)Nc1sccc1C(=O)OCC ZINC000090491397 185299009 /nfs/dbraw/zinc/29/90/09/185299009.db2.gz FTGXIWHWQSULFI-MNOVXSKESA-N 1 0 312.391 1.488 10 0 DDAERO [NH3+][C@@H]1COC[C@H]1C(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000090381892 185293675 /nfs/dbraw/zinc/29/36/75/185293675.db2.gz IUJZSXSLLQUFFX-VXGBXAGGSA-N 1 0 302.296 1.551 10 0 DDAERO C[C@]1(C(=O)NCc2ccc(OC(F)F)cc2)COC[C@@H]1[NH3+] ZINC000090598282 185305763 /nfs/dbraw/zinc/30/57/63/185305763.db2.gz BLBYOEKKVWIFDZ-FZMZJTMJSA-N 1 0 300.305 1.268 10 0 DDAERO CCC[NH2+][C@@H]1COC[C@H]1CN1CCN(CC(F)(F)F)CC1 ZINC000090566832 185304146 /nfs/dbraw/zinc/30/41/46/185304146.db2.gz KEIZHJZJOZZVEK-CHWSQXEVSA-N 1 0 309.376 1.181 10 0 DDAERO Cn1c2ccc(Br)cc2nc1[C@]1(C)COC[C@@H]1[NH3+] ZINC000090571757 185304479 /nfs/dbraw/zinc/30/44/79/185304479.db2.gz UKHDXSCNZNSWPC-WCQYABFASA-N 1 0 310.195 1.951 10 0 DDAERO Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC[NH2+]C(C)C ZINC000092320434 185312205 /nfs/dbraw/zinc/31/22/05/185312205.db2.gz IHVWRRRGRDVYER-AWEZNQCLSA-N 1 0 313.467 1.790 10 0 DDAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C)CC2 ZINC000092389915 185315712 /nfs/dbraw/zinc/31/57/12/185315712.db2.gz SZPQYGDNGMAAQH-RYUDHWBXSA-N 1 0 306.391 1.224 10 0 DDAERO [NH3+]CC1([C@@H](O)c2ncc(I)s2)CC1 ZINC000307394996 539293964 /nfs/dbraw/zinc/29/39/64/539293964.db2.gz FWYTVFKPAZBXKC-LURJTMIESA-N 1 0 310.160 1.520 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(NC)cc1 ZINC000092634014 185330208 /nfs/dbraw/zinc/33/02/08/185330208.db2.gz BYBLNZSERJTSHP-CQSZACIVSA-N 1 0 311.451 1.833 10 0 DDAERO CCn1c(=O)[nH]nc1S[C@@H]1Cc2ccc(OC)cc2[C@H]1[NH3+] ZINC000092860716 185347148 /nfs/dbraw/zinc/34/71/48/185347148.db2.gz QHQGOWFZEXKBRG-VXGBXAGGSA-N 1 0 306.391 1.317 10 0 DDAERO Cc1cc(=O)n(C)cc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000092927861 185349546 /nfs/dbraw/zinc/34/95/46/185349546.db2.gz CCFVZUPOBVLWFW-QWHCGFSZSA-N 1 0 304.394 1.394 10 0 DDAERO [NH3+]CCCN1CCN(C(=O)c2ccc(F)c(F)c2F)CC1 ZINC000020181801 190645819 /nfs/dbraw/zinc/64/58/19/190645819.db2.gz PPRXBKILWXAJJH-UHFFFAOYSA-N 1 0 301.312 1.211 10 0 DDAERO C[C@@H]([NH2+]CC(=O)NCCOc1cccc(F)c1)[C@H]1CCCO1 ZINC000183155649 199546890 /nfs/dbraw/zinc/54/68/90/199546890.db2.gz REDZNUONKOTMQE-IUODEOHRSA-N 1 0 310.369 1.478 10 0 DDAERO CC[NH2+]C[C@@H]1CCCCN1S(=O)(=O)CCc1ccncc1 ZINC000111720136 185631288 /nfs/dbraw/zinc/63/12/88/185631288.db2.gz BXOMHBOXCCCNFK-HNNXBMFYSA-N 1 0 311.451 1.418 10 0 DDAERO Cc1c([C@H]2[C@H](C[NH2+][C@H]3CCCOC3)CC(=O)N2C)cnn1C ZINC000494464518 539546907 /nfs/dbraw/zinc/54/69/07/539546907.db2.gz RAIYKBKBUFEVLB-HEHGZKQESA-N 1 0 306.410 1.017 10 0 DDAERO c1cnc(-c2nc(-c3ccncc3)cc(N3CC[NH2+]CC3)n2)cn1 ZINC000070451649 190895129 /nfs/dbraw/zinc/89/51/29/190895129.db2.gz COKGUUTVCXTWEE-UHFFFAOYSA-N 1 0 319.372 1.405 10 0 DDAERO C[C@@H]1CCC[NH2+][C@@H]1CNC(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000071338536 190959862 /nfs/dbraw/zinc/95/98/62/190959862.db2.gz RQVJERIFTLLBTK-BXUZGUMPSA-N 1 0 310.419 1.208 10 0 DDAERO NS(=O)(=O)c1ccc(OCC[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000071391389 190965978 /nfs/dbraw/zinc/96/59/78/190965978.db2.gz FAFZQRFOXMXBQK-SNVBAGLBSA-N 1 0 302.371 1.242 10 0 DDAERO C[NH2+][C@H](C[S@@](=O)c1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000084055585 192398346 /nfs/dbraw/zinc/39/83/46/192398346.db2.gz SDKQLDRYHKLFDZ-ACJLOTCBSA-N 1 0 301.433 1.196 10 0 DDAERO [NH3+]Cc1ccc(-c2nc(CC(=O)N3CCOCC3)cs2)cc1 ZINC000071685198 191008064 /nfs/dbraw/zinc/00/80/64/191008064.db2.gz DIURKYHXOLJYHX-UHFFFAOYSA-N 1 0 317.414 1.670 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000148110710 186042992 /nfs/dbraw/zinc/04/29/92/186042992.db2.gz CMZBOPYTEAHKAO-LDYMZIIASA-N 1 0 301.184 1.600 10 0 DDAERO CONC(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000163867379 186140301 /nfs/dbraw/zinc/14/03/01/186140301.db2.gz RQNYITLKZKVJCV-HNNXBMFYSA-N 1 0 307.394 1.293 10 0 DDAERO Cc1cc2nc(C)cc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2n1 ZINC000072432020 191164555 /nfs/dbraw/zinc/16/45/55/191164555.db2.gz JVRAAHYGJJUFDO-OAHLLOKOSA-N 1 0 315.421 1.647 10 0 DDAERO C[C@H](C(=O)NCc1cccs1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172802001 198151544 /nfs/dbraw/zinc/15/15/44/198151544.db2.gz QALLLYIDTFWSQW-ZIAGYGMSSA-N 1 0 307.463 1.923 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(CCC(=O)Nc2ccccc2C)CC1 ZINC000173451078 198216981 /nfs/dbraw/zinc/21/69/81/198216981.db2.gz LOCUFPXFIFRMEV-MRXNPFEDSA-N 1 0 319.449 1.712 10 0 DDAERO CC(C)Nc1ncccc1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000173643868 198235474 /nfs/dbraw/zinc/23/54/74/198235474.db2.gz GXHUTMRUTXVTFY-CYBMUJFWSA-N 1 0 306.410 1.305 10 0 DDAERO COc1c(C)cnc(CN(C)C(=O)[C@H]([NH3+])CCSC)c1C ZINC000182100511 199386567 /nfs/dbraw/zinc/38/65/67/199386567.db2.gz OBUOZDUQAMILCI-GFCCVEGCSA-N 1 0 311.451 1.746 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCc2ccccc2)C[C@H]1C ZINC000174298196 198316753 /nfs/dbraw/zinc/31/67/53/198316753.db2.gz HUFQTUITMMQNBL-HZPDHXFCSA-N 1 0 304.434 1.923 10 0 DDAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(F)cc1 ZINC000073123903 191281480 /nfs/dbraw/zinc/28/14/80/191281480.db2.gz JKVHRXRWXCIVOD-DZGCQCFKSA-N 1 0 310.369 1.118 10 0 DDAERO O=c1cccnn1CCC[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000003775185 181045388 /nfs/dbraw/zinc/04/53/88/181045388.db2.gz FJNRJBQUOQLUNQ-CYBMUJFWSA-N 1 0 301.346 1.063 10 0 investigational DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](C)C(=O)NCc1ccco1 ZINC000129502637 354082727 /nfs/dbraw/zinc/08/27/27/354082727.db2.gz PRAHCILVTULASN-QWHCGFSZSA-N 1 0 324.425 1.314 10 0 DDAERO CC(C)COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(N)=O)cc1 ZINC000131502119 354100467 /nfs/dbraw/zinc/10/04/67/354100467.db2.gz UTNYXGFXJCHRIY-NEPJUHHUSA-N 1 0 307.394 1.955 10 0 DDAERO CCN1CCO[C@H](CNc2ncc(Br)cn2)C1 ZINC000158615781 354231077 /nfs/dbraw/zinc/23/10/77/354231077.db2.gz PVTNBDUGNDGYJE-SNVBAGLBSA-N 1 0 301.188 1.372 10 0 DDAERO Cc1ccc(F)c(S(=O)(=O)N(C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000226464065 354320035 /nfs/dbraw/zinc/32/00/35/354320035.db2.gz BJELADZQXFFXPZ-GFCCVEGCSA-N 1 0 300.399 1.897 10 0 DDAERO CCOCC[N@@H+]1CCN([C@H](C)c2nc(C)cc(=O)[nH]2)C[C@H]1C ZINC000248709925 354370528 /nfs/dbraw/zinc/37/05/28/354370528.db2.gz BYONLTAUQLUXTD-ZIAGYGMSSA-N 1 0 308.426 1.594 10 0 DDAERO C[N@H+](CC1CC1)C[C@H]1CN(C(=O)c2cncc(F)c2)CCO1 ZINC000328651003 354559152 /nfs/dbraw/zinc/55/91/52/354559152.db2.gz VSRDXYJOYBLOPJ-HNNXBMFYSA-N 1 0 307.369 1.404 10 0 DDAERO Cc1csc(C(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)c1Cl ZINC000403980274 354671584 /nfs/dbraw/zinc/67/15/84/354671584.db2.gz ATHMFCZZACTJAY-ZJUUUORDSA-N 1 0 300.811 1.913 10 0 DDAERO Cc1csc(C(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)c1Cl ZINC000403980266 354671678 /nfs/dbraw/zinc/67/16/78/354671678.db2.gz ATHMFCZZACTJAY-UWVGGRQHSA-N 1 0 300.811 1.913 10 0 DDAERO Brc1ccc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)nc1 ZINC000404074414 354673356 /nfs/dbraw/zinc/67/33/56/354673356.db2.gz MVDPHSLFQIZWDV-STQMWFEESA-N 1 0 312.211 1.407 10 0 DDAERO Cc1cc(C)n(-c2nc(C(C)C)cc(N3CC[NH2+]CC3)n2)n1 ZINC000073662874 191338859 /nfs/dbraw/zinc/33/88/59/191338859.db2.gz GGVUOWORZDVSNE-UHFFFAOYSA-N 1 0 300.410 1.812 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCC(=O)OC(C)(C)C ZINC000073722822 191348295 /nfs/dbraw/zinc/34/82/95/191348295.db2.gz WRWLCMVPFUIYQN-CYBMUJFWSA-N 1 0 315.458 1.994 10 0 DDAERO CC(C)CS(=O)(=O)N(CC(F)(F)F)C1CC[NH2+]CC1 ZINC000080187064 192009685 /nfs/dbraw/zinc/00/96/85/192009685.db2.gz JGMWTCVZFGCMFB-UHFFFAOYSA-N 1 0 302.362 1.589 10 0 DDAERO CC(C)(C)CS(=O)(=O)Nc1ccc(N2CC[NH2+]CC2)cc1 ZINC000080187060 192010237 /nfs/dbraw/zinc/01/02/37/192010237.db2.gz DEQHVAGFZASVHT-UHFFFAOYSA-N 1 0 311.451 1.884 10 0 DDAERO C[C@@H](c1ncc(I)s1)N1CC[NH2+]CC1 ZINC000085352090 192494358 /nfs/dbraw/zinc/49/43/58/192494358.db2.gz IPEGWMQLYHELCV-ZETCQYMHSA-N 1 0 323.203 1.714 10 0 DDAERO CC[NH2+][C@@H](C)CCCN1CCn2c(nnc2C(F)(F)F)C1 ZINC000081533842 192284422 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NGVHPSHDZYHSRL-PHIMTYICSA-N 1 0 316.398 1.343 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCOC[C@H]2C)c(F)c1 ZINC000092115673 193163658 /nfs/dbraw/zinc/16/36/58/193163658.db2.gz FNDXKZNNKYXLAS-LLVKDONJSA-N 1 0 316.398 1.345 10 0 DDAERO CO[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092116048 193164589 /nfs/dbraw/zinc/16/45/89/193164589.db2.gz IRUKRQKIUAESRN-NEPJUHHUSA-N 1 0 302.371 1.130 10 0 DDAERO NC(=O)CN(C[C@@H]1Cc2ccccc2S1)C1CC[NH2+]CC1 ZINC000092267664 193183181 /nfs/dbraw/zinc/18/31/81/193183181.db2.gz WCAJTPFGQOBRLB-AWEZNQCLSA-N 1 0 305.447 1.243 10 0 DDAERO C[C@H](C(=O)Nc1ccccc1C(N)=S)[N@H+](C)CC(C)(C)O ZINC000092966978 193189827 /nfs/dbraw/zinc/18/98/27/193189827.db2.gz FCKZTVZSOBNRHZ-SNVBAGLBSA-N 1 0 309.435 1.351 10 0 DDAERO C[N@H+](CCC(=O)Nc1ccc(C(N)=S)cc1)CC(C)(C)O ZINC000092967061 193189363 /nfs/dbraw/zinc/18/93/63/193189363.db2.gz NOJCWGCDPCJUKU-UHFFFAOYSA-N 1 0 309.435 1.352 10 0 DDAERO CN(C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)c1ccc(F)cc1 ZINC000262166957 203217813 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CC(C)[N@@H+]1CC[C@@H](CNc2ccc(S(N)(=O)=O)c(N)c2)C1 ZINC000093198891 193215272 /nfs/dbraw/zinc/21/52/72/193215272.db2.gz MQBPKSATPSMDOU-NSHDSACASA-N 1 0 312.439 1.058 10 0 DDAERO C[N@H+](C[C@@H](O)COCc1ccccc1)C1(C(N)=O)CCCC1 ZINC000093213964 193217025 /nfs/dbraw/zinc/21/70/25/193217025.db2.gz TYFVNELNCSQSAM-OAHLLOKOSA-N 1 0 306.406 1.294 10 0 DDAERO [NH3+][C@H]1CCC[C@H](Oc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000093220202 193218567 /nfs/dbraw/zinc/21/85/67/193218567.db2.gz HVVBBXWNVFLKTI-FZMZJTMJSA-N 1 0 310.419 1.776 10 0 DDAERO [NH3+]CCOCC(=O)Nc1c(F)cc(F)cc1Br ZINC000093230594 193219880 /nfs/dbraw/zinc/21/98/80/193219880.db2.gz FBQKCXQEVBVLQF-UHFFFAOYSA-N 1 0 309.110 1.641 10 0 DDAERO CN(CCc1cccs1)S(=O)(=O)C[C@H]1CCC[NH2+]C1 ZINC000093292192 193225651 /nfs/dbraw/zinc/22/56/51/193225651.db2.gz AKBOQGAIGDGSOK-LBPRGKRZSA-N 1 0 302.465 1.552 10 0 DDAERO CC(C)=CCN1CCC([NH2+]CC(C)(C)S(C)(=O)=O)CC1 ZINC000093520599 193263286 /nfs/dbraw/zinc/26/32/86/193263286.db2.gz DYVSZLOJZHGILX-UHFFFAOYSA-N 1 0 302.484 1.830 10 0 DDAERO CC[NH2+][C@]1(C(=O)[O-])CCC[C@H]1CC[N@H+](CC)CCOCC ZINC000093594583 193271481 /nfs/dbraw/zinc/27/14/81/193271481.db2.gz WECAUVYMNRPBES-GOEBONIOSA-N 1 0 300.443 1.968 10 0 DDAERO O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCOC2(CCC2)C1 ZINC000262729692 203394267 /nfs/dbraw/zinc/39/42/67/203394267.db2.gz HVKXWNKBLWLOHM-CYBMUJFWSA-N 1 0 304.394 1.203 10 0 DDAERO CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCSc1ncccn1 ZINC000093629547 193276377 /nfs/dbraw/zinc/27/63/77/193276377.db2.gz RDPSRNWBOPIQTJ-WFASDCNBSA-N 1 0 308.451 1.981 10 0 DDAERO Cn1ccnc1SCC[C@H]1CCC[C@]1([NH2+]C1CC1)C(N)=O ZINC000093628641 193276477 /nfs/dbraw/zinc/27/64/77/193276477.db2.gz MFXIWYIAAMVGLO-IAQYHMDHSA-N 1 0 308.451 1.679 10 0 DDAERO C[NH2+][C@H](CSC(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700454 193293920 /nfs/dbraw/zinc/29/39/20/193293920.db2.gz GTCCQBCUNRBVPL-STQMWFEESA-N 1 0 308.513 1.778 10 0 DDAERO [NH3+][C@@H]1COC[C@H]1c1nc2cc(F)c(Br)cc2[nH]1 ZINC000093728734 193297389 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C[N@H+](CC(=O)[N-]C(=O)c1ccc(Cl)cc1)CC(C)(C)C[NH3+] ZINC000093874494 193322408 /nfs/dbraw/zinc/32/24/08/193322408.db2.gz LIOYDIRFCKUZDP-UHFFFAOYSA-N 1 0 311.813 1.513 10 0 DDAERO Cc1ccc(F)cc1S(=O)(=O)N(C)CC1CC[NH2+]CC1 ZINC000094023761 193339003 /nfs/dbraw/zinc/33/90/03/193339003.db2.gz BGVCFGKRECHSOJ-UHFFFAOYSA-N 1 0 300.399 1.754 10 0 DDAERO CCc1nn(C)c(C[C@H]([NH3+])[C@@H]2CN(C(C)C)CCO2)c1Cl ZINC000093925691 193328467 /nfs/dbraw/zinc/32/84/67/193328467.db2.gz VMZWNRFLOXSCQI-FZMZJTMJSA-N 1 0 314.861 1.615 10 0 DDAERO CCN(CC1CC[NH2+]CC1)S(=O)(=O)c1cncc(F)c1 ZINC000094023863 193339238 /nfs/dbraw/zinc/33/92/38/193339238.db2.gz JQLZPZWIQLSAPG-UHFFFAOYSA-N 1 0 301.387 1.231 10 0 DDAERO C[NH2+]Cc1cc2ccccc2c(N(C)CCS(C)(=O)=O)n1 ZINC000094300751 193358727 /nfs/dbraw/zinc/35/87/27/193358727.db2.gz FSRSPHLXYWGKPH-UHFFFAOYSA-N 1 0 307.419 1.435 10 0 DDAERO CC(C)[NH2+]CCCOc1nc(C(F)(F)F)ccc1C(N)=O ZINC000094337689 193361015 /nfs/dbraw/zinc/36/10/15/193361015.db2.gz GOXFJFBQLDFPMO-UHFFFAOYSA-N 1 0 305.300 1.966 10 0 DDAERO CC[NH2+]Cc1cc(F)c(O[C@@H]2CCS(=O)(=O)C2)c(F)c1 ZINC000094346974 193363719 /nfs/dbraw/zinc/36/37/19/193363719.db2.gz YVYMUCCPZYLIKG-SNVBAGLBSA-N 1 0 305.346 1.640 10 0 DDAERO CC(C)OCCS(=O)(=O)N(CC1CC[NH2+]CC1)C1CC1 ZINC000094024221 193339978 /nfs/dbraw/zinc/33/99/78/193339978.db2.gz YFQJFHPDRZKXMT-UHFFFAOYSA-N 1 0 304.456 1.205 10 0 DDAERO C[NH+](C)[C@H](CNC(=O)[C@@](C)(N)C(F)(F)F)c1ccccc1 ZINC000094236467 193353769 /nfs/dbraw/zinc/35/37/69/193353769.db2.gz JMTZFQSDJZXNLN-DGCLKSJQSA-N 1 0 303.328 1.685 10 0 DDAERO CCC([NH3+])(CC)C(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000094244019 193354377 /nfs/dbraw/zinc/35/43/77/193354377.db2.gz QWYBAKTWNLPURH-UHFFFAOYSA-N 1 0 308.773 1.772 10 0 DDAERO CC(C)(C)[NH2+]Cc1cn([C@H]2CCC[C@@H](S(C)(=O)=O)C2)nn1 ZINC000094645178 193389755 /nfs/dbraw/zinc/38/97/55/193389755.db2.gz WIUIUHPNSZQJCN-QWHCGFSZSA-N 1 0 314.455 1.695 10 0 DDAERO CS(=O)(=O)[C@H]1CCC[C@H](N(CC[NH3+])C2CCCCC2)C1 ZINC000094644172 193389802 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CC[NH2+][C@H](c1cc(Cl)ccc1OC)[C@@H]1CN2CCN1CC2 ZINC000094510025 193376069 /nfs/dbraw/zinc/37/60/69/193376069.db2.gz VYGRQQGSWMZQCQ-GOEBONIOSA-N 1 0 309.841 1.999 10 0 DDAERO COC[C@H]([NH3+])CN(C)C(=O)c1cccc(C(F)(F)F)c1F ZINC000094600365 193384095 /nfs/dbraw/zinc/38/40/95/193384095.db2.gz UJJIIZPCNVKXHQ-MRVPVSSYSA-N 1 0 308.275 1.890 10 0 DDAERO [NH3+]C[C@@H]1CCCN(c2nc3c(Br)cccn3n2)C1 ZINC000094607672 193384572 /nfs/dbraw/zinc/38/45/72/193384572.db2.gz OJZARPISIZDPEU-VIFPVBQESA-N 1 0 310.199 1.667 10 0 DDAERO CN(CC1CC[NH2+]CC1)c1nc2ccc(Br)cn2n1 ZINC000094609235 193384709 /nfs/dbraw/zinc/38/47/09/193384709.db2.gz LDGSJEGENNFPHN-UHFFFAOYSA-N 1 0 324.226 1.928 10 0 DDAERO Cc1cc(F)c(N)cc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000094779926 193397257 /nfs/dbraw/zinc/39/72/57/193397257.db2.gz AKQLPMDTOOBXHO-LLVKDONJSA-N 1 0 315.414 1.431 10 0 DDAERO O=S(=O)(C[C@H]1CCC[NH2+]1)c1cccc(Br)n1 ZINC000095092376 193422772 /nfs/dbraw/zinc/42/27/72/193422772.db2.gz HWHVSQQVTYWGMQ-MRVPVSSYSA-N 1 0 305.197 1.370 10 0 DDAERO CC[NH+]1CCN([C@H](C)C(=O)Nc2ccc(Cl)c(N)c2)CC1 ZINC000019232616 182110263 /nfs/dbraw/zinc/11/02/63/182110263.db2.gz VBHSWRRMILGBBE-LLVKDONJSA-N 1 0 310.829 1.887 10 0 DDAERO O=S(=O)(Nc1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000020247629 182200379 /nfs/dbraw/zinc/20/03/79/182200379.db2.gz AMWNOWFDBCAYHI-UHFFFAOYSA-N 1 0 320.212 1.011 10 0 DDAERO Cn1ncc(NCC2(C)CC[NH2+]CC2)c(Br)c1=O ZINC000160023843 197379841 /nfs/dbraw/zinc/37/98/41/197379841.db2.gz QMUBGAMBUGQFFD-UHFFFAOYSA-N 1 0 315.215 1.344 10 0 DDAERO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)c1cccc(O)c1 ZINC000021019783 182261537 /nfs/dbraw/zinc/26/15/37/182261537.db2.gz MZTDIASXNOOGIW-NSHDSACASA-N 1 0 306.387 1.890 10 0 DDAERO C[C@@H]([NH2+]CCNS(C)(=O)=O)c1ccc2c(c1)OCCCO2 ZINC000021503191 182275659 /nfs/dbraw/zinc/27/56/59/182275659.db2.gz ZNFKAFGCXPLFMU-LLVKDONJSA-N 1 0 314.407 1.048 10 0 DDAERO C[C@H]([NH2+][C@H]1CS(=O)(=O)C[C@@H]1O)C12CC3CC(CC(C3)C1)C2 ZINC000037487491 182897731 /nfs/dbraw/zinc/89/77/31/182897731.db2.gz 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COC(=O)c1c2c(sc1NC(=O)[C@H]1CCOC1)C[NH2+]CC2 ZINC000040930183 183148726 /nfs/dbraw/zinc/14/87/26/183148726.db2.gz ABIAMAOTPZAFOR-QMMMGPOBSA-N 1 0 310.375 1.155 10 0 DDAERO C[N@H+]1[C@@H]2CC[C@H]1CC(CNS(=O)(=O)c1cc(N)cs1)C2 ZINC000041068489 183162655 /nfs/dbraw/zinc/16/26/55/183162655.db2.gz SFQPRXDPPICPOD-CLYYMRHHSA-N 1 0 315.464 1.481 10 0 DDAERO CCOC(=O)COC[C@@H]([NH3+])c1cc2c(cc1Cl)NC(=O)C2 ZINC000041072203 183163096 /nfs/dbraw/zinc/16/30/96/183163096.db2.gz ATNOCCLZMSGUKM-LLVKDONJSA-N 1 0 312.753 1.414 10 0 DDAERO O=C1c2ccc(Br)cc2C(=O)N1C1CC[NH2+]CC1 ZINC000041157299 183179015 /nfs/dbraw/zinc/17/90/15/183179015.db2.gz XNTGJMYDYKXQKC-UHFFFAOYSA-N 1 0 309.163 1.797 10 0 DDAERO Cc1ccccc1[C@@H](NC(=O)CC[NH+](C)C)c1nccn1C ZINC000041536419 183199783 /nfs/dbraw/zinc/19/97/83/183199783.db2.gz RJVKVYRXHHBPIA-MRXNPFEDSA-N 1 0 300.406 1.886 10 0 DDAERO CC[NH+](CC)[C@@H](CNC(=O)CCNC(C)=O)c1ccccc1 ZINC000041309084 183185036 /nfs/dbraw/zinc/18/50/36/183185036.db2.gz LFONRVAZLCPOFB-INIZCTEOSA-N 1 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PPXKUHGFRAXMGS-UHFFFAOYSA-N 1 0 300.424 1.188 10 0 DDAERO CN1CC[C@H]([NH2+]CC(=O)Nc2ccccc2Br)C1 ZINC000042547563 183282773 /nfs/dbraw/zinc/28/27/73/183282773.db2.gz MLVLNKUDOVXLAW-JTQLQIEISA-N 1 0 312.211 1.681 10 0 DDAERO C[C@H]([NH3+])[C@H](c1ccc(F)cc1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000042914728 183318057 /nfs/dbraw/zinc/31/80/57/183318057.db2.gz XZGLYKGVQXKSCW-ZLKJLUDKSA-N 1 0 300.399 1.333 10 0 DDAERO COc1ccccc1[C@@H](Sc1nc(N)cc(=O)[nH]1)[C@@H](C)[NH3+] ZINC000043101995 183338143 /nfs/dbraw/zinc/33/81/43/183338143.db2.gz XLSFYJPBGHVZCR-OQPBUACISA-N 1 0 306.391 1.541 10 0 DDAERO COCCNC(=O)CN(C)[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000043253811 183348071 /nfs/dbraw/zinc/34/80/71/183348071.db2.gz PKIFCQVYJWFZPT-SECBINFHSA-N 1 0 305.831 1.096 10 0 DDAERO Cn1nnnc1S[C@H](C[NH3+])c1ccc(Br)s1 ZINC000043283290 183350317 /nfs/dbraw/zinc/35/03/17/183350317.db2.gz HOSOMQVFGJXOIO-ZCFIWIBFSA-N 1 0 320.241 1.826 10 0 DDAERO C[NH2+][C@H](c1cc2c(c(Cl)c1)OCO2)[C@H]1CCS(=O)(=O)C1 ZINC000043300684 183352610 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Cc1cc(N2CC[C@@](O)(c3cn[nH]n3)C2)c2cc(F)ccc2[nH+]1 ZINC000284668806 218125402 /nfs/dbraw/zinc/12/54/02/218125402.db2.gz WIQUTGJWWUAJOW-INIZCTEOSA-N 1 0 313.336 1.898 10 0 DDAERO CCCC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000105264090 194089305 /nfs/dbraw/zinc/08/93/05/194089305.db2.gz CYQUQACJDOIVHJ-ZIAGYGMSSA-N 1 0 324.469 1.559 10 0 DDAERO CC[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)CCN1CCOC ZINC000105836778 194143290 /nfs/dbraw/zinc/14/32/90/194143290.db2.gz GEZGHCDLJHTQLJ-QZTJIDSGSA-N 1 0 306.450 1.633 10 0 DDAERO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCc3ncnn3C2)cc1 ZINC000105871276 194150960 /nfs/dbraw/zinc/15/09/60/194150960.db2.gz QPJCFAAAEWTWIW-AAEUAGOBSA-N 1 0 315.377 1.218 10 0 DDAERO COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000105901050 194164348 /nfs/dbraw/zinc/16/43/48/194164348.db2.gz IXRBOKIMELEUCI-GJZGRUSLSA-N 1 0 308.426 1.370 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(CCC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC000105902491 194166533 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CC[C@@H]1CN(C(=O)Cc2ccccc2F)CC[N@@H+]1CCOC ZINC000117306892 407826622 /nfs/dbraw/zinc/82/66/22/407826622.db2.gz GZGSTIVMQJHFEB-OAHLLOKOSA-N 1 0 308.397 1.937 10 0 DDAERO CNC(=O)[C@@H]1CCCN1Cc1cn(C)nc1-c1cccs1 ZINC000179786810 407832766 /nfs/dbraw/zinc/83/27/66/407832766.db2.gz FEMCLKYOVCWSRL-LBPRGKRZSA-N 1 0 304.419 1.859 10 0 DDAERO CC[C@H](C)NC(=O)[C@H](C)N1CCC([N@H+](CC)CC(=O)[O-])CC1 ZINC000262447295 407836817 /nfs/dbraw/zinc/83/68/17/407836817.db2.gz GTYQOBUAYQJACY-STQMWFEESA-N 1 0 313.442 1.161 10 0 DDAERO CC[C@@H]1CN(C(=O)NCCCn2cccn2)CC[N@@H+]1CCOC ZINC000117475624 407837623 /nfs/dbraw/zinc/83/76/23/407837623.db2.gz NSFOHUVLLHZGND-OAHLLOKOSA-N 1 0 323.441 1.025 10 0 DDAERO O=C1OC[C@H](Cc2ccccc2)N1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172610070 407843429 /nfs/dbraw/zinc/84/34/29/407843429.db2.gz FHZNUHHWIPBWMN-SJORKVTESA-N 1 0 315.417 1.787 10 0 DDAERO CC[C@@H]1CN(C(=O)[C@@H](C)c2c(C)noc2C)CC[N@@H+]1C[C@@H](C)O ZINC000174644936 407972289 /nfs/dbraw/zinc/97/22/89/407972289.db2.gz MVMBFHSXUFLDHN-TYNCELHUSA-N 1 0 323.437 1.699 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(CCOc2ccccc2OC)CC1 ZINC000174083041 407914950 /nfs/dbraw/zinc/91/49/50/407914950.db2.gz UQIIDYQXBJIRCD-OAHLLOKOSA-N 1 0 308.422 1.463 10 0 DDAERO C[C@H]1[NH2+]CCN(S(=O)(=O)c2ccc(F)c(F)c2F)[C@H]1C ZINC000262761351 407919992 /nfs/dbraw/zinc/91/99/92/407919992.db2.gz JMFGDGQHTWMTFR-SFYZADRCSA-N 1 0 308.325 1.475 10 0 DDAERO CN1CC[NH2+]C[C@H]1c1noc(CCc2nc3ccccc3o2)n1 ZINC000263157169 408042969 /nfs/dbraw/zinc/04/29/69/408042969.db2.gz DOZLLCIEKIZYKH-LBPRGKRZSA-N 1 0 313.361 1.572 10 0 DDAERO CCOc1cc(CNC[C@H]2C[NH2+]C[C@@H]2O)ccc1OC(F)F ZINC000263177644 408047388 /nfs/dbraw/zinc/04/73/88/408047388.db2.gz GHZNFPUMESYRMU-RYUDHWBXSA-N 1 0 316.348 1.357 10 0 DDAERO COc1ccc(OCc2nc([C@@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263180866 408049087 /nfs/dbraw/zinc/04/90/87/408049087.db2.gz GTIWTRSHUZGTLF-ZDUSSCGKSA-N 1 0 304.350 1.233 10 0 DDAERO CC[C@H]1CN(Cc2ccc(OC)c(O)c2)CC[N@@H+]1C[C@H](C)O ZINC000245730835 408054077 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ZINC000177676487 408681859 /nfs/dbraw/zinc/68/18/59/408681859.db2.gz SBOHNVCKUODSAE-OAHLLOKOSA-N 1 0 319.405 1.031 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc(=O)n2cccc(C)c2n1 ZINC000177714388 408693565 /nfs/dbraw/zinc/69/35/65/408693565.db2.gz TYMKFUMHNSJNIL-MRXNPFEDSA-N 1 0 314.433 1.919 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccc(O)c(F)c2)CCO1 ZINC000163657177 408786244 /nfs/dbraw/zinc/78/62/44/408786244.db2.gz SXWYKNPQGJKANY-GFCCVEGCSA-N 1 0 311.357 1.003 10 0 DDAERO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2)C[C@H]1[NH+](C)C ZINC000251793825 408787898 /nfs/dbraw/zinc/78/78/98/408787898.db2.gz NPADADOTZQUGRJ-GXSJLCMTSA-N 1 0 303.815 1.306 10 0 DDAERO Cc1cnn(CCCCC[N@H+]2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000252442958 408793061 /nfs/dbraw/zinc/79/30/61/408793061.db2.gz KOZNCCNNBXQMJW-IRXDYDNUSA-N 1 0 308.470 1.749 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CC1CCOCC1 ZINC000252466362 408795464 /nfs/dbraw/zinc/79/54/64/408795464.db2.gz YHQKWXFBRDKHNS-GJZGRUSLSA-N 1 0 316.467 1.301 10 0 DDAERO CC(C)[C@@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000249825491 408767949 /nfs/dbraw/zinc/76/79/49/408767949.db2.gz KBHXKSICQHTYST-YVSFHVDLSA-N 1 0 323.481 1.427 10 0 DDAERO CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000249857031 408769879 /nfs/dbraw/zinc/76/98/79/408769879.db2.gz DPSYGPSBUPDVFY-GJZGRUSLSA-N 1 0 304.438 1.976 10 0 DDAERO CCCC(=O)N1CCC[C@@H](C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000250154374 408777292 /nfs/dbraw/zinc/77/72/92/408777292.db2.gz MVSHCMRBKOIYIW-CVEARBPZSA-N 1 0 321.465 1.722 10 0 DDAERO CC(=O)NC[C@H]1CN(CC[N@@H+](C)Cc2ccc(F)cc2)CCO1 ZINC000187055282 163003616 /nfs/dbraw/zinc/00/36/16/163003616.db2.gz JKQYZZKDMXSMLM-KRWDZBQOSA-N 1 0 323.412 1.094 10 0 DDAERO CC(C)N1CC[C@H]([N@@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)C1=O ZINC000188151783 163042924 /nfs/dbraw/zinc/04/29/24/163042924.db2.gz KVGZVGGBPBEHQH-ILXRZTDVSA-N 1 0 308.447 1.765 10 0 DDAERO CC[NH+](CC)CCN(CCOC)C(=O)[C@@H]1CCCO[C@H]1C ZINC000191285601 163180377 /nfs/dbraw/zinc/18/03/77/163180377.db2.gz BHNVLSCTLIMBNA-LSDHHAIUSA-N 1 0 300.443 1.618 10 0 DDAERO O=C(Cc1ccc2c(c1)OCO2)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195047985 163304868 /nfs/dbraw/zinc/30/48/68/163304868.db2.gz OZWUVQGENXQIPI-CQSZACIVSA-N 1 0 302.374 1.655 10 0 DDAERO Cc1ccc(C(=O)NCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1C ZINC000195320052 163317106 /nfs/dbraw/zinc/31/71/06/163317106.db2.gz GJADVLXABLAGIZ-INIZCTEOSA-N 1 0 315.417 1.340 10 0 DDAERO [NH3+]C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCO2)C[C@H]1c1ccccc1 ZINC000261837683 163713073 /nfs/dbraw/zinc/71/30/73/163713073.db2.gz ZLVJJUVSLHPJDB-PMPSAXMXSA-N 1 0 324.446 1.170 10 0 DDAERO CC1(C)CCC[NH2+][C@H]1C(=O)Nc1ccc(N2CCNC2=O)cc1 ZINC000261897289 163723671 /nfs/dbraw/zinc/72/36/71/163723671.db2.gz OLFZXTHWVAJXPY-AWEZNQCLSA-N 1 0 316.405 1.933 10 0 DDAERO CC[C@@H]1CCCCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262271063 163796379 /nfs/dbraw/zinc/79/63/79/163796379.db2.gz NAKFWISSPVZPEX-OAGGEKHMSA-N 1 0 304.438 1.904 10 0 DDAERO CC(=O)c1ccccc1NC(=O)CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262531347 163844152 /nfs/dbraw/zinc/84/41/52/163844152.db2.gz PQOQEHLCNNGZFA-HNNXBMFYSA-N 1 0 303.406 1.887 10 0 DDAERO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000262955052 163897128 /nfs/dbraw/zinc/89/71/28/163897128.db2.gz KEBNBSUZKKKSIY-RHSMWYFYSA-N 1 0 317.437 1.787 10 0 DDAERO CC1(C)C[N@H+](C[C@H](O)COCc2ccccc2)C[C@H](CO)O1 ZINC000309793082 164005438 /nfs/dbraw/zinc/00/54/38/164005438.db2.gz GEFIMRYOJZGDCL-JKSUJKDBSA-N 1 0 309.406 1.036 10 0 DDAERO NC(=O)c1cc(Cl)nnc1N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000301457261 410723563 /nfs/dbraw/zinc/72/35/63/410723563.db2.gz CKSMRLFRZQUSDH-NSHDSACASA-N 1 0 323.828 1.905 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CCOC(C)C ZINC000248334694 287230509 /nfs/dbraw/zinc/23/05/09/287230509.db2.gz GFHKFFGFZJPJIS-KGLIPLIRSA-N 1 0 304.456 1.300 10 0 DDAERO [NH3+][C@@H](CNC(=O)c1cccc(CN2CCCC2=O)c1)C1CC1 ZINC000137412077 196575005 /nfs/dbraw/zinc/57/50/05/196575005.db2.gz AUSNGDJYTQDADM-HNNXBMFYSA-N 1 0 301.390 1.276 10 0 DDAERO CC[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000192506865 418523443 /nfs/dbraw/zinc/52/34/43/418523443.db2.gz OXWIDVKJOPPGSV-NEPJUHHUSA-N 1 0 312.435 1.655 10 0 DDAERO C[C@@H]1[C@H]([NH2+]CC2(O)CCOCC2)CCN1Cc1ccccc1 ZINC000390723751 418755357 /nfs/dbraw/zinc/75/53/57/418755357.db2.gz PKZHSPYABZKKJY-NVXWUHKLSA-N 1 0 304.434 1.781 10 0 DDAERO Cn1ncc(NCCC2(C[NH3+])CC2)c(Br)c1=O ZINC000404652174 418772014 /nfs/dbraw/zinc/77/20/14/418772014.db2.gz RPOYVOPPDZZGGT-UHFFFAOYSA-N 1 0 301.188 1.084 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C\c2ccc(O)cc2)C[C@@H]1C ZINC000492488561 420573395 /nfs/dbraw/zinc/57/33/95/420573395.db2.gz JYUCBDBPVJSAQJ-QDDHOEGMSA-N 1 0 304.390 1.319 10 0 DDAERO CO[C@H]1CN(CC(=O)N(C)Cc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630357575 422043492 /nfs/dbraw/zinc/04/34/92/422043492.db2.gz YWPYBXAKNZGMDL-NVXWUHKLSA-N 1 0 305.422 1.083 10 0 DDAERO CO[C@H]1CN(S(=O)(=O)c2sc(C)cc2C)[C@@](C)(C[NH3+])C1 ZINC000630362240 422049289 /nfs/dbraw/zinc/04/92/89/422049289.db2.gz AFRSDRRYDDSVGY-DGCLKSJQSA-N 1 0 318.464 1.492 10 0 DDAERO CO[C@@H]1CN(C(=O)c2cc(Br)c[nH]2)[C@@](C)(C[NH3+])C1 ZINC000630368962 422055599 /nfs/dbraw/zinc/05/55/99/422055599.db2.gz USQMFSLQNIKKDM-JOYOIKCWSA-N 1 0 316.199 1.356 10 0 DDAERO CCn1nccc1[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCCOCC1 ZINC000656857811 423804606 /nfs/dbraw/zinc/80/46/06/423804606.db2.gz VFSONCMFHSWYDI-WOSRLPQWSA-N 1 0 306.410 1.381 10 0 DDAERO O[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)[C@H]1n1cccn1 ZINC000657515713 424392078 /nfs/dbraw/zinc/39/20/78/424392078.db2.gz MVTNPIFMBGXFFT-RRFJBIMHSA-N 1 0 319.792 1.936 10 0 DDAERO CN1C[C@H](C[NH2+]Cc2ncc(Br)s2)CC1=O ZINC000657696474 424479438 /nfs/dbraw/zinc/47/94/38/424479438.db2.gz UXAYCPHZWJWNHW-ZETCQYMHSA-N 1 0 304.213 1.474 10 0 DDAERO Cn1cc(Br)c(C(=O)N2CCCC[C@H]2C[NH3+])n1 ZINC000662401963 424611475 /nfs/dbraw/zinc/61/14/75/424611475.db2.gz CQSZCGDROQFLHP-QMMMGPOBSA-N 1 0 301.188 1.136 10 0 DDAERO Cn1cc(CCNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cn1 ZINC000045185527 273800092 /nfs/dbraw/zinc/80/00/92/273800092.db2.gz CCVLMFAARRFJOG-INIZCTEOSA-N 1 0 315.421 1.565 10 0 DDAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)Nc2cccnc2Cl)c1 ZINC000105881457 274830370 /nfs/dbraw/zinc/83/03/70/274830370.db2.gz FDUMFOSNAZADHX-LLVKDONJSA-N 1 0 307.785 1.857 10 0 DDAERO Cc1nccn2c(N3CC[NH+](C)CC3)nc(Br)c12 ZINC000089195587 274862623 /nfs/dbraw/zinc/86/26/23/274862623.db2.gz AWKMZDIRUFGVPH-UHFFFAOYSA-N 1 0 310.199 1.552 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000177019564 276181908 /nfs/dbraw/zinc/18/19/08/276181908.db2.gz QOLFHXAGBOTILX-ZDUSSCGKSA-N 1 0 317.389 1.574 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000106902894 276186328 /nfs/dbraw/zinc/18/63/28/276186328.db2.gz QWINPZCNPGWMHX-DLBZAZTESA-N 1 0 303.450 1.760 10 0 DDAERO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000061884079 277081681 /nfs/dbraw/zinc/08/16/81/277081681.db2.gz JSGQNUOCSYEYSY-BXUZGUMPSA-N 1 0 311.407 1.051 10 0 DDAERO CC(C)CC(=O)N[C@@H](C(=O)NCC[C@@H](C)[NH3+])c1ccccc1 ZINC000178629993 277344471 /nfs/dbraw/zinc/34/44/71/277344471.db2.gz HOPZVBTULXMDPZ-CZUORRHYSA-N 1 0 305.422 1.744 10 0 DDAERO CO[C@@H]1CCN(Cc2cnn(-c3ccccc3)n2)[C@H](C[NH3+])C1 ZINC000262117677 277657531 /nfs/dbraw/zinc/65/75/31/277657531.db2.gz KIAJYCAWUGKZKQ-JKSUJKDBSA-N 1 0 301.394 1.205 10 0 DDAERO C[C@@H]([NH2+]CC1(O)CCOCC1)[C@H](C)NC(=O)OC(C)(C)C ZINC000309928293 278340896 /nfs/dbraw/zinc/34/08/96/278340896.db2.gz YBMFSPPFJBBGGT-NEPJUHHUSA-N 1 0 302.415 1.419 10 0 DDAERO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000193586279 278561150 /nfs/dbraw/zinc/56/11/50/278561150.db2.gz OWNDNIVHBLJDCC-RIEGTJTDSA-N 1 0 321.808 1.947 10 0 DDAERO C[C@@]1(C[NH3+])CCN(C(=O)c2cccc(CN3CCCC3=O)c2)C1 ZINC000261804278 279158540 /nfs/dbraw/zinc/15/85/40/279158540.db2.gz HCNYTOAQDLBLPG-SFHVURJKSA-N 1 0 315.417 1.620 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000177705462 279301780 /nfs/dbraw/zinc/30/17/80/279301780.db2.gz XFXQDEDIFCULPG-HUUCEWRRSA-N 1 0 319.453 1.332 10 0 DDAERO CCOC(=O)[C@@H](c1ccccc1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000171930591 279585002 /nfs/dbraw/zinc/58/50/02/279585002.db2.gz UKYLEIUZJYSRNX-HZPDHXFCSA-N 1 0 306.406 1.553 10 0 DDAERO [NH3+]C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1)C1CC1 ZINC000159157967 279646778 /nfs/dbraw/zinc/64/67/78/279646778.db2.gz RBHBNCUXCZXBPB-KFWWJZLASA-N 1 0 307.438 1.269 10 0 DDAERO C[C@H]1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)[C@H](C[NH3+])C1 ZINC000262484431 279722708 /nfs/dbraw/zinc/72/27/08/279722708.db2.gz KFXDHJYRGVBWLG-FZMZJTMJSA-N 1 0 320.824 1.907 10 0 DDAERO Cc1cccc(NC(=O)NCC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])c1 ZINC000261708083 281238995 /nfs/dbraw/zinc/23/89/95/281238995.db2.gz FZQGRXQLYFQTHX-ZFWWWQNUSA-N 1 0 318.421 1.702 10 0 DDAERO CC(=O)NCCC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000129958752 281362804 /nfs/dbraw/zinc/36/28/04/281362804.db2.gz CAHNCIVRGKLJKL-CQSZACIVSA-N 1 0 313.442 1.749 10 0 DDAERO CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@@H](O)CN2CCCC2=O)C1 ZINC000247257234 282041252 /nfs/dbraw/zinc/04/12/52/282041252.db2.gz FDAIRUUNRWPOPK-MGPQQGTHSA-N 1 0 300.468 1.576 10 0 DDAERO COCCc1cc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)n(C)n1 ZINC000247656397 282065245 /nfs/dbraw/zinc/06/52/45/282065245.db2.gz XDOPWTGIZWTIIS-TZMCWYRMSA-N 1 0 323.441 1.459 10 0 DDAERO C[C@H](O)CN1CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C[C@@H]1C ZINC000246829709 290106924 /nfs/dbraw/zinc/10/69/24/290106924.db2.gz KXBGPMDXOZAWNH-QRJUGERDSA-N 1 0 311.470 1.161 10 0 DDAERO [NH3+]CC1(C(=O)NC2CCC(C(F)(F)F)CC2)CCOCC1 ZINC000166006353 295220729 /nfs/dbraw/zinc/22/07/29/295220729.db2.gz PPEMVRZMRZQPLM-UHFFFAOYSA-N 1 0 308.344 1.979 10 0 DDAERO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CC(F)(F)CN1 ZINC000263108982 295621382 /nfs/dbraw/zinc/62/13/82/295621382.db2.gz ACZMTSTVDZSKGI-ZDUSSCGKSA-N 1 0 301.381 1.507 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[S@](=O)C(C)(C)C ZINC000247155791 297098371 /nfs/dbraw/zinc/09/83/71/297098371.db2.gz XVEHXDLTLDYZEU-BHVCSQLQSA-N 1 0 315.483 1.412 10 0 DDAERO CCCC(=O)N[C@@H]1CCC[N@H+](CCC(=O)NC2CCCC2)C1 ZINC000170651715 298220013 /nfs/dbraw/zinc/22/00/13/298220013.db2.gz KGRQXHVCNLQZFQ-OAHLLOKOSA-N 1 0 309.454 1.816 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000262094497 303798100 /nfs/dbraw/zinc/79/81/00/303798100.db2.gz DFWZNLGFZGQBPQ-MGHWNKPDSA-N 1 0 310.397 1.640 10 0 DDAERO COc1ccc(CN2C(=O)C[C@@H]3CC[C@@H]([NH3+])C[C@H]32)c(OC)c1 ZINC000584625768 337375585 /nfs/dbraw/zinc/37/55/85/337375585.db2.gz OLLVAKKTEWFEDY-NJZAAPMLSA-N 1 0 304.390 1.932 10 0 DDAERO CN(C(=O)c1cc(Br)c[nH]1)[C@H]1CCC[NH2+]CC1 ZINC000231481353 484170307 /nfs/dbraw/zinc/17/03/07/484170307.db2.gz VPXXAUVBVHXHTK-JTQLQIEISA-N 1 0 300.200 1.991 10 0 DDAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1cc(Cl)ccc1Br ZINC000262114689 484262270 /nfs/dbraw/zinc/26/22/70/484262270.db2.gz LBLKMBJUNAIJKU-CABZTGNLSA-N 1 0 319.630 1.772 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1c[nH]nc1-c1ccccc1Cl ZINC000262099907 484262896 /nfs/dbraw/zinc/26/28/96/484262896.db2.gz DOULWYVGIHCADG-TVQRCGJNSA-N 1 0 320.780 1.040 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccccc1CCc1ccccc1 ZINC000262286602 484268260 /nfs/dbraw/zinc/26/82/60/484268260.db2.gz OHPKOGXONDNQSC-PKOBYXMFSA-N 1 0 324.424 1.782 10 0 DDAERO CCC[C@@H](C(=O)N1CCCN(Cc2noc(C)n2)CC1)[NH+](C)C ZINC000154830345 520579220 /nfs/dbraw/zinc/57/92/20/520579220.db2.gz KNCHWSUMYTXODY-AWEZNQCLSA-N 1 0 323.441 1.143 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(N3CCCC3=O)ccc2F)C1 ZINC000163604505 522101717 /nfs/dbraw/zinc/10/17/17/522101717.db2.gz CYTGMYAMLSAXNN-ZDUSSCGKSA-N 1 0 319.380 1.729 10 0 DDAERO CC(C)(C)OC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH3+] ZINC000397117032 568414980 /nfs/dbraw/zinc/41/49/80/568414980.db2.gz XPVMYMYWOOXFTC-MNOVXSKESA-N 1 0 300.399 1.912 10 0 DDAERO COCC[C@@H]([NH3+])C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000052809005 696261217 /nfs/dbraw/zinc/26/12/17/696261217.db2.gz XEFAKRHLNMIMNN-ZIAGYGMSSA-N 1 0 312.797 1.604 10 0 DDAERO CC1CCC2(CC1)NC(=O)N(CN1CC[N@@H+]3CCC[C@@H]3C1)C2=O ZINC000172503512 697368105 /nfs/dbraw/zinc/36/81/05/697368105.db2.gz QSLNVQRBWUWVNE-XOYHFGRZSA-N 1 0 320.437 1.225 10 0 DDAERO CC(C)COC(=O)CN(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000181451609 697460806 /nfs/dbraw/zinc/46/08/06/697460806.db2.gz XYCGXMDCMUVAHI-CQSZACIVSA-N 1 0 300.443 1.210 10 0 DDAERO C[C@@H]([NH2+]CC(=O)N1CCC2(CC1)OCCO2)c1cccs1 ZINC000182550185 697476365 /nfs/dbraw/zinc/47/63/65/697476365.db2.gz VYUDZTIVCFLGBE-GFCCVEGCSA-N 1 0 310.419 1.764 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC1(C)OCCO1 ZINC000185113413 697514052 /nfs/dbraw/zinc/51/40/52/697514052.db2.gz YTJHMFFCHHKLJT-UONOGXRCSA-N 1 0 311.426 1.408 10 0 DDAERO COc1ccc2c(c1)C(=O)N(CN1C[C@H]3CCC[N@@H+]3C[C@H]1C)C2 ZINC000189743862 697579082 /nfs/dbraw/zinc/57/90/82/697579082.db2.gz XCJHLWZRQBEDEB-UKRRQHHQSA-N 1 0 315.417 1.777 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](O)c2cccc(F)c2)C1 ZINC000195232899 697735859 /nfs/dbraw/zinc/73/58/59/697735859.db2.gz AYKJLBYOVSKGJH-GJZGRUSLSA-N 1 0 309.385 1.643 10 0 DDAERO COc1ccc(/C=C\CN2CCC(NS(C)(=O)=O)CC2)cc1 ZINC000222054511 697756664 /nfs/dbraw/zinc/75/66/64/697756664.db2.gz GUJNQEMZNRCABQ-ARJAWSKDSA-N 1 0 324.446 1.722 10 0 DDAERO O=C(N[C@H]1C[NH+]2CCC1CC2)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000222555917 697757519 /nfs/dbraw/zinc/75/75/19/697757519.db2.gz WYRXLWGVRXMSNV-HOCLYGCPSA-N 1 0 313.401 1.250 10 0 DDAERO CCn1nc(C)c(CCC(=O)N[C@@H]2C[NH+]3CCC2CC3)c1C ZINC000222567712 697757804 /nfs/dbraw/zinc/75/78/04/697757804.db2.gz CURXPJJLVMEERR-MRXNPFEDSA-N 1 0 304.438 1.663 10 0 DDAERO O=C(N[C@H]1C[NH+]2CCC1CC2)c1cc(-c2cccs2)n[nH]1 ZINC000222550319 697758052 /nfs/dbraw/zinc/75/80/52/697758052.db2.gz WHNJNYHXVLJMGG-ZDUSSCGKSA-N 1 0 302.403 1.962 10 0 DDAERO C[S@](=O)CC[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000226588931 697767041 /nfs/dbraw/zinc/76/70/41/697767041.db2.gz 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AHOSJXUNJAKTMI-YPMHNXCESA-N 1 0 310.373 1.530 10 0 DDAERO CCCn1c(=O)[nH]nc1S[C@@H]1COc2ccccc2[C@H]1[NH3+] ZINC000081879167 192333015 /nfs/dbraw/zinc/33/30/15/192333015.db2.gz HUPAHKSFBFCARP-VXGBXAGGSA-N 1 0 306.391 1.535 10 0 DDAERO COC(=O)c1ccnc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000248848376 282111412 /nfs/dbraw/zinc/11/14/12/282111412.db2.gz VJORZUXCVUCYRS-DGCLKSJQSA-N 1 0 320.393 1.718 10 0 DDAERO CC[NH2+][C@H]1CCOC[C@@H]1S(=O)(=O)c1ccccc1Cl ZINC000081920480 192339143 /nfs/dbraw/zinc/33/91/43/192339143.db2.gz HLWQGPOFVKIODE-AAEUAGOBSA-N 1 0 303.811 1.881 10 0 DDAERO [NH3+][C@H]1CCC2(C[C@@H]1S(=O)(=O)c1ccccc1F)OCCO2 ZINC000081922983 192339523 /nfs/dbraw/zinc/33/95/23/192339523.db2.gz CTSGNQDRDQIHMH-AAEUAGOBSA-N 1 0 315.366 1.222 10 0 DDAERO CCOC(C)(C)CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000249049262 282128894 /nfs/dbraw/zinc/12/88/94/282128894.db2.gz AAXQBOJFELCBNU-UONOGXRCSA-N 1 0 315.458 1.288 10 0 DDAERO CC[NH2+][C@H]1CCC2(C[C@H]1S(=O)(=O)CC(C)C)OCCO2 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COc1ccc(C)cc1S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000249528914 282166780 /nfs/dbraw/zinc/16/67/80/282166780.db2.gz JGGDKMJBJKMGIY-ZIAGYGMSSA-N 1 0 324.446 1.861 10 0 DDAERO [NH3+][C@H]1CCOC[C@H]1[S@](=O)c1ccc(Br)cc1 ZINC000082747040 185201805 /nfs/dbraw/zinc/20/18/05/185201805.db2.gz MVJWVKLKXYLPJT-USBNGQNGSA-N 1 0 304.209 1.673 10 0 DDAERO CC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(C)cc1Br ZINC000087386387 185223285 /nfs/dbraw/zinc/22/32/85/185223285.db2.gz XTARQINOHLFGMQ-VIFPVBQESA-N 1 0 321.240 1.773 10 0 DDAERO CCC[C@H](C[NH3+])NS(=O)(=O)Cc1ccc(C(=O)OC)cc1 ZINC000087404390 185223730 /nfs/dbraw/zinc/22/37/30/185223730.db2.gz WLCXVUJXQSIVIU-CYBMUJFWSA-N 1 0 314.407 1.020 10 0 DDAERO COc1cc(Cl)ccc1S(=O)(=O)N[C@H](C[NH3+])C(C)C ZINC000087404654 185224034 /nfs/dbraw/zinc/22/40/34/185224034.db2.gz OQZUXUDONAXFFK-SNVBAGLBSA-N 1 0 306.815 1.610 10 0 DDAERO C[C@@H]([NH3+])CCC[C@H](C)C(=O)N1CCN(c2nccs2)CC1 ZINC000087682609 185230442 /nfs/dbraw/zinc/23/04/42/185230442.db2.gz UVSHVPGZHUJJJF-QWHCGFSZSA-N 1 0 310.467 1.945 10 0 DDAERO C[NH2+]Cc1nnc(-n2nc(C)c(Br)c2C)s1 ZINC000087698466 185230829 /nfs/dbraw/zinc/23/08/29/185230829.db2.gz UXEHYZUQOQBYST-UHFFFAOYSA-N 1 0 302.201 1.823 10 0 DDAERO Cc1nnc(SCc2cn3cc(C)ccc3n2)n1CC[NH3+] ZINC000087711551 185230937 /nfs/dbraw/zinc/23/09/37/185230937.db2.gz MVQKPBRPBGCNGX-UHFFFAOYSA-N 1 0 302.407 1.794 10 0 DDAERO C[C@H]1CN(c2nc(NN)[nH+]cc2Br)C[C@H](C)O1 ZINC000087897392 185235637 /nfs/dbraw/zinc/23/56/37/185235637.db2.gz QQDAWNSEOSECNP-BQBZGAKWSA-N 1 0 302.176 1.138 10 0 DDAERO O=S(=O)(Nc1ccc(F)c(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000088056347 185238517 /nfs/dbraw/zinc/23/85/17/185238517.db2.gz CGCUYLCBKQIYAH-MRVPVSSYSA-N 1 0 312.288 1.948 10 0 DDAERO C[NH2+][C@@H](Cc1cccc(Br)c1)[C@H]1COCCO1 ZINC000087857457 185233554 /nfs/dbraw/zinc/23/35/54/185233554.db2.gz BORCHAKDORGSBH-QWHCGFSZSA-N 1 0 300.196 1.995 10 0 DDAERO NNc1nc(N2CCO[C@H]3CCC[C@@H]32)c(Br)c[nH+]1 ZINC000087867635 185234081 /nfs/dbraw/zinc/23/40/81/185234081.db2.gz JANKDMYIGLEDMY-IUCAKERBSA-N 1 0 314.187 1.282 10 0 DDAERO CC[NH2+][C@H]1CC[C@H](C(C)(C)C)C[C@@H]1S(=O)(=O)CC(=O)OC ZINC000081976164 192347998 /nfs/dbraw/zinc/34/79/98/192347998.db2.gz WXYJRRHROIDTAI-AVGNSLFASA-N 1 0 319.467 1.767 10 0 DDAERO [NH3+]Cc1ccc(NC(=O)[C@H]2COCCO2)cc1C(F)(F)F ZINC000088191141 185241179 /nfs/dbraw/zinc/24/11/79/185241179.db2.gz XSGAZJRIBFYFFQ-LLVKDONJSA-N 1 0 304.268 1.518 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN(CC(F)(F)F)C2)C1 ZINC000249759296 282194641 /nfs/dbraw/zinc/19/46/41/282194641.db2.gz XCDZEUHNSASIPU-STQMWFEESA-N 1 0 321.387 1.861 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C)C(C)C ZINC000183643942 539242601 /nfs/dbraw/zinc/24/26/01/539242601.db2.gz UKVDDQANLPDICQ-CQSZACIVSA-N 1 0 311.813 1.947 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)N(Cc1ccccc1)C(C)C)C(C)C ZINC000183639471 539242633 /nfs/dbraw/zinc/24/26/33/539242633.db2.gz BKFZOUISJHEKTO-QGZVFWFLSA-N 1 0 319.449 1.784 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)N(C)Cc1ccc(OC)cc1)C(C)C ZINC000183655908 539242671 /nfs/dbraw/zinc/24/26/71/539242671.db2.gz DNWVKGBVCWBCKZ-MRXNPFEDSA-N 1 0 321.421 1.014 10 0 DDAERO C[C@@H](C[NH3+])S(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000088472911 185252215 /nfs/dbraw/zinc/25/22/15/185252215.db2.gz VUOVMKLYMDQWRC-LURJTMIESA-N 1 0 300.277 1.933 10 0 DDAERO COc1ccc(OCC[C@H](C[NH3+])[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000088414486 185249105 /nfs/dbraw/zinc/24/91/05/185249105.db2.gz ZWIYWLIAXPSAOL-CHWSQXEVSA-N 1 0 313.419 1.474 10 0 DDAERO CC[NH2+][C@](CN1CCC[C@H](C(F)(F)F)C1)(C(N)=O)C1CC1 ZINC000088435299 185250607 /nfs/dbraw/zinc/25/06/07/185250607.db2.gz SUPUBDSDPVAHIK-AAEUAGOBSA-N 1 0 307.360 1.504 10 0 DDAERO C[NH2+][C@@H](Cc1ccc2ccccc2n1)[C@H]1CCS(=O)(=O)C1 ZINC000088519250 185254564 /nfs/dbraw/zinc/25/45/64/185254564.db2.gz XIJIKDZKYBCIEV-BBRMVZONSA-N 1 0 304.415 1.800 10 0 DDAERO CC(C)[C@@H](CNCc1ccc(S(=O)(=O)N(C)C)o1)[NH+](C)C ZINC000088539973 185255642 /nfs/dbraw/zinc/25/56/42/185255642.db2.gz AMYDYDKQPFKMJG-CYBMUJFWSA-N 1 0 317.455 1.206 10 0 DDAERO COC[C@H](C)CNS(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000088543101 185256138 /nfs/dbraw/zinc/25/61/38/185256138.db2.gz IQNTUKGLGSGUIA-LLVKDONJSA-N 1 0 318.439 1.729 10 0 DDAERO COC[C@@H](C)CNS(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000088543105 185256330 /nfs/dbraw/zinc/25/63/30/185256330.db2.gz ACIMGIIYIWKQCK-LBPRGKRZSA-N 1 0 318.439 1.586 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N(CC(F)(F)F)C(C)C)o1 ZINC000088544052 185256618 /nfs/dbraw/zinc/25/66/18/185256618.db2.gz GSRZYPFHKZLAMQ-UHFFFAOYSA-N 1 0 314.329 1.960 10 0 DDAERO CCC[C@@H](COC)NS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088551333 185257573 /nfs/dbraw/zinc/25/75/73/185257573.db2.gz FZAXOAKBAJVTPZ-LBPRGKRZSA-N 1 0 318.439 1.871 10 0 DDAERO Cn1ncnc1C[C@H](C[NH3+])Cc1ccccc1Br ZINC000088582976 185258369 /nfs/dbraw/zinc/25/83/69/185258369.db2.gz NHBABYCUUKJXSO-SNVBAGLBSA-N 1 0 309.211 1.938 10 0 DDAERO C[NH2+][C@@H](Cc1ncnn1C)Cc1ccccc1Br ZINC000088582094 185258505 /nfs/dbraw/zinc/25/85/05/185258505.db2.gz ZHYUQWIXZMXEHF-LLVKDONJSA-N 1 0 309.211 1.951 10 0 DDAERO C[NH2+][C@@H](Cc1ncnn1C)c1cc(Cl)c(OC)c(OC)c1 ZINC000088581851 185258535 /nfs/dbraw/zinc/25/85/35/185258535.db2.gz LDYVNAALNWGTHN-NSHDSACASA-N 1 0 310.785 1.989 10 0 DDAERO Cc1nn(C)c2sc(C(=O)N3CCC[N@H+](C)CC3)c(N)c12 ZINC000088639828 185260842 /nfs/dbraw/zinc/26/08/42/185260842.db2.gz GLYHVDVYAWFRPJ-UHFFFAOYSA-N 1 0 307.423 1.303 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)c2ccn(C)c2C)C[C@H]1CC ZINC000195266956 539263657 /nfs/dbraw/zinc/26/36/57/539263657.db2.gz ZPFJCDZQCVPNHJ-OAHLLOKOSA-N 1 0 307.438 1.906 10 0 DDAERO CC[NH+](CC)CCSc1cc(N)cc(S(N)(=O)=O)c1 ZINC000088733695 185263702 /nfs/dbraw/zinc/26/37/02/185263702.db2.gz NODKPQQKXKJRBB-UHFFFAOYSA-N 1 0 303.453 1.350 10 0 DDAERO CC(C)(C)[C@@H](CC[NH3+])CCC(=O)N[C@@H]1C=CS(=O)(=O)C1 ZINC000088856165 185266998 /nfs/dbraw/zinc/26/69/98/185266998.db2.gz RKDVEGYREUMYTD-VXGBXAGGSA-N 1 0 302.440 1.205 10 0 DDAERO COc1cccc(COC[C@H](O)C[NH2+][C@H](C)[C@H]2CCCO2)c1 ZINC000248616340 539272248 /nfs/dbraw/zinc/27/22/48/539272248.db2.gz RQUCWWWNWFTOAF-FRFSOERESA-N 1 0 309.406 1.730 10 0 DDAERO C[C@@H]1CCC[C@@H](S(=O)(=O)[C@@H]2CC3(CC[C@@H]2[NH3+])OCCO3)C1 ZINC000081983324 192350046 /nfs/dbraw/zinc/35/00/46/192350046.db2.gz NAWCJXXDWUIZKU-YIYPIFLZSA-N 1 0 317.451 1.603 10 0 DDAERO COCCC[S@@](=O)C[C@@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000081999113 192352968 /nfs/dbraw/zinc/35/29/68/192352968.db2.gz XABTZMCJEGIYJG-ODXCJYRJSA-N 1 0 301.408 1.489 10 0 DDAERO C[C@@](O)(CO)C[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000090284267 185289360 /nfs/dbraw/zinc/28/93/60/185289360.db2.gz DZRPYUIWNKXLMH-YPMHNXCESA-N 1 0 316.195 1.606 10 0 DDAERO C[NH2+]Cc1cn(Cc2ccc(OC)c(Br)c2)nn1 ZINC000090295910 185289924 /nfs/dbraw/zinc/28/99/24/185289924.db2.gz PQKBIBXYTTZBOF-UHFFFAOYSA-N 1 0 311.183 1.817 10 0 DDAERO COc1ccc([C@H](C)NS(=O)(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000090310717 185290419 /nfs/dbraw/zinc/29/04/19/185290419.db2.gz VQBPSESJZCCKKC-QWHCGFSZSA-N 1 0 312.435 1.675 10 0 DDAERO CCOc1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2)cc1C ZINC000090322206 185290835 /nfs/dbraw/zinc/29/08/35/185290835.db2.gz DAXDPEAACHAXKY-CHWSQXEVSA-N 1 0 310.419 1.234 10 0 DDAERO O=S(=O)(c1cccc(Cl)c1F)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090322116 185290880 /nfs/dbraw/zinc/29/08/80/185290880.db2.gz HSLFPRDVGNEVEY-RKDXNWHRSA-N 1 0 304.774 1.319 10 0 DDAERO COc1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000090322335 185290907 /nfs/dbraw/zinc/29/09/07/185290907.db2.gz VSMFKUWPLJJFRH-NXEZZACHSA-N 1 0 316.810 1.189 10 0 DDAERO CC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccccc1OC(F)F ZINC000090488437 185298799 /nfs/dbraw/zinc/29/87/99/185298799.db2.gz KTGMSOUFODFLDX-KOLCDFICSA-N 1 0 300.305 1.851 10 0 DDAERO CN(Cc1cc(Br)cs1)C(=O)[C@@H]1COC[C@@H]1[NH3+] ZINC000090382480 185293498 /nfs/dbraw/zinc/29/34/98/185293498.db2.gz MRRYTKFTQVQKAK-ZJUUUORDSA-N 1 0 319.224 1.443 10 0 DDAERO CCOc1ccc2nc(NC(=O)[C@H]3COC[C@H]3[NH3+])sc2c1 ZINC000090378679 185293657 /nfs/dbraw/zinc/29/36/57/185293657.db2.gz IVBVROMOZHRFQY-VHSXEESVSA-N 1 0 307.375 1.607 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(Br)c(F)c1 ZINC000090438383 185296577 /nfs/dbraw/zinc/29/65/77/185296577.db2.gz KZHSQLQLNMEFBV-LDYMZIIASA-N 1 0 317.158 1.761 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1CN1CCN(c2ccccc2Cl)CC1 ZINC000090438666 185296585 /nfs/dbraw/zinc/29/65/85/185296585.db2.gz UOLCWPNBFIHRNT-HIFRSBDPSA-N 1 0 309.841 1.696 10 0 DDAERO C[C@@]1(C(=O)NCc2ccc(Br)s2)COC[C@H]1[NH3+] ZINC000090595472 185305830 /nfs/dbraw/zinc/30/58/30/185305830.db2.gz RLRAGMQEAADDFG-LDYMZIIASA-N 1 0 319.224 1.491 10 0 DDAERO CC[NH2+]CCc1c(CC)nn([C@H]2CCS(=O)(=O)C2)c1CC ZINC000092320427 185312141 /nfs/dbraw/zinc/31/21/41/185312141.db2.gz JQBLCVWYGBOMIV-LBPRGKRZSA-N 1 0 313.467 1.520 10 0 DDAERO Cc1noc(C)c1CNS(=O)(=O)c1cc(C[NH3+])ccc1C ZINC000092344200 185313124 /nfs/dbraw/zinc/31/31/24/185313124.db2.gz BPSJWLIXRFLHPL-UHFFFAOYSA-N 1 0 309.391 1.537 10 0 DDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1cccnc1OCC(F)F ZINC000182887931 199505250 /nfs/dbraw/zinc/50/52/50/199505250.db2.gz MZHNMJLHRGHYTR-JOYOIKCWSA-N 1 0 301.337 1.715 10 0 DDAERO CCc1ccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1N ZINC000092622559 185329587 /nfs/dbraw/zinc/32/95/87/185329587.db2.gz MZSMXVIEJDEZFV-ZDUSSCGKSA-N 1 0 311.451 1.546 10 0 DDAERO Cc1ccc(N)c(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1C ZINC000092622367 185329682 /nfs/dbraw/zinc/32/96/82/185329682.db2.gz QEVFMWRWUGVOSQ-ZDUSSCGKSA-N 1 0 311.451 1.600 10 0 DDAERO CC[NH2+][C@H](C)[C@H]1CCCN(S(=O)(=O)c2cn(CC)cn2)C1 ZINC000092889729 185347908 /nfs/dbraw/zinc/34/79/08/185347908.db2.gz MZARBZCJRAMJKM-OLZOCXBDSA-N 1 0 314.455 1.302 10 0 DDAERO CCCN([C@@](C)(CC)C[NH3+])S(=O)(=O)c1cn(CC)cn1 ZINC000092889824 185348048 /nfs/dbraw/zinc/34/80/48/185348048.db2.gz TVCJMGXOPVBIEQ-ZDUSSCGKSA-N 1 0 302.444 1.431 10 0 DDAERO CCn1cnc(S(=O)(=O)N2CCC[C@H](C[NH2+]C3CC3)C2)c1 ZINC000092910938 185348450 /nfs/dbraw/zinc/34/84/50/185348450.db2.gz WGEMPWNYPWBHKV-GFCCVEGCSA-N 1 0 312.439 1.056 10 0 DDAERO COc1ccc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)c(C)c1F ZINC000181674777 199337020 /nfs/dbraw/zinc/33/70/20/199337020.db2.gz CFAPDBJAZRPCFV-NSHDSACASA-N 1 0 316.398 1.467 10 0 DDAERO CCC[NH2+][C@@H](C)[C@H]1CCCN(S(=O)(=O)N(CC)CC)C1 ZINC000111713432 185628861 /nfs/dbraw/zinc/62/88/61/185628861.db2.gz RFSAJJKMRJJZMT-KBPBESRZSA-N 1 0 305.488 1.673 10 0 DDAERO CC[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccccc2F)C1 ZINC000111719394 185630868 /nfs/dbraw/zinc/63/08/68/185630868.db2.gz MEHVDJKJTPVSGX-LBPRGKRZSA-N 1 0 300.399 1.836 10 0 DDAERO CC[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000111719249 185630952 /nfs/dbraw/zinc/63/09/52/185630952.db2.gz QPWAIZJZEJUWOK-GFCCVEGCSA-N 1 0 300.399 1.836 10 0 DDAERO CNS(=O)(=O)c1ccc(NC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000038029243 290791945 /nfs/dbraw/zinc/79/19/45/290791945.db2.gz AQVAWBSFUJJOQU-CYBMUJFWSA-N 1 0 311.451 1.881 10 0 DDAERO O=C(NCc1ccccc1CO)c1cn[nH]c1[C@H]1CCCC[NH2+]1 ZINC000685942802 539566601 /nfs/dbraw/zinc/56/66/01/539566601.db2.gz QSKHFTNAHKQQKJ-OAHLLOKOSA-N 1 0 314.389 1.647 10 0 DDAERO C[C@H]1CC[C@H](C[NH3+])CN1C(=O)c1cc(Br)cn1C ZINC000070179701 190868488 /nfs/dbraw/zinc/86/84/88/190868488.db2.gz ZDHMEZLBCMXSRP-VHSXEESVSA-N 1 0 314.227 1.987 10 0 DDAERO COCCN(C(=O)c1ccc(CC[NH3+])cc1)[C@H]1CCSC1 ZINC000070552254 190905856 /nfs/dbraw/zinc/90/58/56/190905856.db2.gz OFCLMGJZOMSVKB-HNNXBMFYSA-N 1 0 308.447 1.782 10 0 DDAERO Cc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070575300 190907253 /nfs/dbraw/zinc/90/72/53/190907253.db2.gz QLBBUKQZWJDOKP-WDEREUQCSA-N 1 0 311.407 1.098 10 0 DDAERO COCCC[NH2+]C[C@H](C)n1cc(I)cn1 ZINC000070679295 190911345 /nfs/dbraw/zinc/91/13/45/190911345.db2.gz IPEXPORCQIHRKE-VIFPVBQESA-N 1 0 323.178 1.675 10 0 DDAERO Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000083712028 192379906 /nfs/dbraw/zinc/37/99/06/192379906.db2.gz UOJSHVSOGYQVLQ-TZMCWYRMSA-N 1 0 320.441 1.453 10 0 DDAERO C[NH2+][C@H](C[S@](=O)C1CCOCC1)c1ccc2c(c1)OCO2 ZINC000084053661 192397226 /nfs/dbraw/zinc/39/72/26/192397226.db2.gz WELMRPVYPCSCRW-LRTDBIEQSA-N 1 0 311.403 1.604 10 0 DDAERO CN(C)c1cccc2c1CN(CCCN1CCOCC1)[C@@H]2C[NH3+] ZINC000071683409 191006704 /nfs/dbraw/zinc/00/67/04/191006704.db2.gz AAAKRMWIEMJAEX-GOSISDBHSA-N 1 0 318.465 1.290 10 0 DDAERO CS(=O)(=O)c1cccc(NC(=O)c2cccc(C[NH3+])c2)c1 ZINC000071699721 191009297 /nfs/dbraw/zinc/00/92/97/191009297.db2.gz ZFRGDTIVWULOEB-UHFFFAOYSA-N 1 0 304.371 1.801 10 0 DDAERO Cc1nc2sccn2c1CN1CC[N@@H+](C(C)C)[C@H](CCO)C1 ZINC000071748052 191020314 /nfs/dbraw/zinc/02/03/14/191020314.db2.gz FXPVIRYSKXAQSB-CQSZACIVSA-N 1 0 322.478 1.981 10 0 DDAERO [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1 ZINC000133696237 186007559 /nfs/dbraw/zinc/00/75/59/186007559.db2.gz HZVKRAKZCHXKLC-INIZCTEOSA-N 1 0 312.369 1.416 10 0 DDAERO O=C(NCCc1cn2ccccc2n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171899791 198004437 /nfs/dbraw/zinc/00/44/37/198004437.db2.gz 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10 0 DDAERO CCCCOC[C@H](O)C[NH+]1CCN([C@@H](C)c2cccnc2)CC1 ZINC000195178705 201352895 /nfs/dbraw/zinc/35/28/95/201352895.db2.gz OFMPCWGRKSMNNO-FUHWJXTLSA-N 1 0 321.465 1.938 10 0 DDAERO COc1ccc([C@H](O)CNC(=O)[C@@](C)([NH3+])c2ccccc2)cc1 ZINC000195246244 201364878 /nfs/dbraw/zinc/36/48/78/201364878.db2.gz UPWKXMAODIIAGE-AEFFLSMTSA-N 1 0 314.385 1.719 10 0 DDAERO CCc1nc(CN2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)no1 ZINC000195271950 201371847 /nfs/dbraw/zinc/37/18/47/201371847.db2.gz JWORXWRANULALL-HNNXBMFYSA-N 1 0 315.421 1.981 10 0 DDAERO CC[C@H]([NH3+])[C@H](N1CCSC[C@@H]1S(C)(=O)=O)C(C)(C)C ZINC000090921514 192946396 /nfs/dbraw/zinc/94/63/96/192946396.db2.gz JKGIKULRECJTFE-SRVKXCTJSA-N 1 0 308.513 1.558 10 0 DDAERO CCC[C@@]1(CN2CCSC[C@@H]2S(C)(=O)=O)CCC[NH2+]C1 ZINC000090925381 192949721 /nfs/dbraw/zinc/94/97/21/192949721.db2.gz RERJUITZCWURTE-UONOGXRCSA-N 1 0 320.524 1.576 10 0 DDAERO C[C@@H]1C[N@@H+](CCCn2cnc3c2ncnc3N)C[C@H](C)S1 ZINC000091332459 193041749 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[NH3+][C@H]1CC[C@H](C(=O)Nc2cccc(Cl)c2-n2cncn2)C1 ZINC000091548105 193071244 /nfs/dbraw/zinc/07/12/44/193071244.db2.gz HJOFQJRJWBBHPY-UWVGGRQHSA-N 1 0 305.769 1.987 10 0 DDAERO C[NH2+]CC1CC(Oc2ccc(S(=O)(=O)NC(C)C)cc2)C1 ZINC000091473506 193060993 /nfs/dbraw/zinc/06/09/93/193060993.db2.gz YEBZNQPOIQEEIY-UHFFFAOYSA-N 1 0 312.435 1.750 10 0 DDAERO CCc1nn(CC)c(C[C@@H](O)C[NH+](C)C)c1Br ZINC000091714912 193097136 /nfs/dbraw/zinc/09/71/36/193097136.db2.gz UEIBSCCGIVYWJK-SECBINFHSA-N 1 0 304.232 1.693 10 0 DDAERO CCc1nn(C)c(C[C@H](O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1Cl ZINC000091715498 193097162 /nfs/dbraw/zinc/09/71/62/193097162.db2.gz WGTYKTHWVPGRHY-SWHYSGLUSA-N 1 0 313.829 1.403 10 0 DDAERO CCOc1ccc(S(=O)(=O)NC2CCC([NH2+]C)CC2)cc1 ZINC000091872433 193120780 /nfs/dbraw/zinc/12/07/80/193120780.db2.gz DELLNGACNATNKI-UHFFFAOYSA-N 1 0 312.435 1.894 10 0 DDAERO C[NH2+]C1CCC(N(C)c2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000091870884 193121139 /nfs/dbraw/zinc/12/11/39/193121139.db2.gz ODQGGGLODILUFP-UHFFFAOYSA-N 1 0 315.414 1.440 10 0 DDAERO CN1CCO[C@@H](COc2ccc(Br)cc2C[NH3+])C1 ZINC000092053992 193149754 /nfs/dbraw/zinc/14/97/54/193149754.db2.gz OMLTVWZAFYVZIE-GFCCVEGCSA-N 1 0 315.211 1.617 10 0 DDAERO CCN([C@H](C)COC)S(=O)(=O)c1ccc(C[NH2+]C)cc1F ZINC000092115983 193164423 /nfs/dbraw/zinc/16/44/23/193164423.db2.gz ALHXTUWOLQLUJH-LLVKDONJSA-N 1 0 318.414 1.591 10 0 DDAERO C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1nnc2n1CCCC2 ZINC000161559250 296114490 /nfs/dbraw/zinc/11/44/90/296114490.db2.gz LDPIUPHZYYOARB-GFCCVEGCSA-N 1 0 306.410 1.951 10 0 DDAERO O=C([C@@H]1CSc2ccccc21)N1CCC[N@@H+](CCO)CC1 ZINC000092238877 193178126 /nfs/dbraw/zinc/17/81/26/193178126.db2.gz WWOQNRQNFAWEHH-CQSZACIVSA-N 1 0 306.431 1.403 10 0 DDAERO COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000261615716 203080658 /nfs/dbraw/zinc/08/06/58/203080658.db2.gz BSNBZXBASDHYFG-PMPSAXMXSA-N 1 0 304.390 1.865 10 0 DDAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC(C)(C)c2ccccc2)cn1 ZINC000261891694 203145500 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STYWTVIAWBZOLQ-IRXDYDNUSA-N 1 0 319.449 1.392 10 0 DDAERO CC[C@@H]1CN([C@@H](C)C(=O)N2CCCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000105912757 407357694 /nfs/dbraw/zinc/35/76/94/407357694.db2.gz LVGGLCPOQSUECK-OWCLPIDISA-N 1 0 311.470 1.164 10 0 DDAERO COCC[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109097589 407395078 /nfs/dbraw/zinc/39/50/78/407395078.db2.gz AUIXZMBHCCZQIN-CHWSQXEVSA-N 1 0 312.360 1.763 10 0 DDAERO Cc1cc(NC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)no1 ZINC000112712131 407437201 /nfs/dbraw/zinc/43/72/01/407437201.db2.gz BRVOTCNXBRBLEB-LLVKDONJSA-N 1 0 310.398 1.540 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)NC1CCCCC1 ZINC000113231283 407478762 /nfs/dbraw/zinc/47/87/62/407478762.db2.gz LYJRNZPGLQCELG-UKRRQHHQSA-N 1 0 322.453 1.313 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(Cc2ccc(C(=O)OC)c(F)c2)CC1 ZINC000151560872 407456738 /nfs/dbraw/zinc/45/67/38/407456738.db2.gz BGDRVNFFEDMEKN-CQSZACIVSA-N 1 0 324.396 1.501 10 0 DDAERO CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCC[C@@H](C)[NH3+])C1 ZINC000178704374 407555427 /nfs/dbraw/zinc/55/54/27/407555427.db2.gz IIZDQGDYROIMGD-KGLIPLIRSA-N 1 0 312.458 1.308 10 0 DDAERO CN(Cc1nc2c(s1)CCCC2)C(=O)C1([NH3+])CCOCC1 ZINC000261662792 407572131 /nfs/dbraw/zinc/57/21/31/407572131.db2.gz BHLDXGLEVFLGMN-UHFFFAOYSA-N 1 0 309.435 1.488 10 0 DDAERO [NH3+]C1(C(=O)NCCc2cnn(-c3ccccc3)c2)CCOCC1 ZINC000261698383 407584453 /nfs/dbraw/zinc/58/44/53/407584453.db2.gz DPAHCXKDHDCVBC-UHFFFAOYSA-N 1 0 314.389 1.039 10 0 DDAERO CC(=O)c1ccccc1NC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178620854 407515185 /nfs/dbraw/zinc/51/51/85/407515185.db2.gz QFNFAXVYBMNZQE-CQSZACIVSA-N 1 0 301.390 1.608 10 0 DDAERO C[C@@H](C(=O)Nc1cccnc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178638921 407522022 /nfs/dbraw/zinc/52/20/22/407522022.db2.gz ILCHVGOYIUATSE-NWDGAFQWSA-N 1 0 308.813 1.842 10 0 DDAERO CCOc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170843538 407527003 /nfs/dbraw/zinc/52/70/03/407527003.db2.gz LRAILOMRGAXQAT-CYBMUJFWSA-N 1 0 305.378 1.186 10 0 DDAERO CCc1cccc(CC)c1NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170844986 407527637 /nfs/dbraw/zinc/52/76/37/407527637.db2.gz ZDOYHQYKJXDMFL-OAHLLOKOSA-N 1 0 317.433 1.912 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(OCC(F)(F)F)nc2)C1 ZINC000170856685 407531704 /nfs/dbraw/zinc/53/17/04/407531704.db2.gz YIBQBXYYNSLKMJ-LLVKDONJSA-N 1 0 317.311 1.799 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(N3CCOC3=O)cc2)C1 ZINC000170866288 407538465 /nfs/dbraw/zinc/53/84/65/407538465.db2.gz MSWVIVPCQWBLEU-CQSZACIVSA-N 1 0 303.362 1.419 10 0 DDAERO COC[C@H]([NH3+])C(=O)NCc1ccccc1OCc1ccccc1 ZINC000261556060 407539751 /nfs/dbraw/zinc/53/97/51/407539751.db2.gz VQBZDVPZWCLJOE-INIZCTEOSA-N 1 0 314.385 1.856 10 0 DDAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](OCCO)C1 ZINC000178671050 407540296 /nfs/dbraw/zinc/54/02/96/407540296.db2.gz NFZRKEYFNRQSKP-SJORKVTESA-N 1 0 320.433 1.159 10 0 DDAERO CC[C@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2)CCN1CCOC ZINC000178776613 407599307 /nfs/dbraw/zinc/59/93/07/407599307.db2.gz WJSVUNZZYVYPBT-JKSUJKDBSA-N 1 0 305.422 1.256 10 0 DDAERO CS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(F)c1 ZINC000261751832 407601224 /nfs/dbraw/zinc/60/12/24/407601224.db2.gz TXNFUCFQFNUKTK-ZKYQVNSYSA-N 1 0 312.410 1.793 10 0 DDAERO [NH3+][C@@H](C(=O)Nc1ccc(Cn2cccn2)cc1)C1CCOCC1 ZINC000261782611 407612541 /nfs/dbraw/zinc/61/25/41/407612541.db2.gz MZZQHYPAACATMM-MRXNPFEDSA-N 1 0 314.389 1.624 10 0 DDAERO CN([C@H]1CCC[NH2+]CC1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000226462790 407617792 /nfs/dbraw/zinc/61/77/92/407617792.db2.gz OMCJEKQPVCTSNF-AWEZNQCLSA-N 1 0 300.399 1.729 10 0 DDAERO CC1CC[NH+](C[C@H]2CCCN(Cc3noc(CN)n3)C2)CC1 ZINC000261847075 407640439 /nfs/dbraw/zinc/64/04/39/407640439.db2.gz UYNPZWWRMMLURC-CQSZACIVSA-N 1 0 307.442 1.472 10 0 DDAERO [NH3+]C1(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)CCOCC1 ZINC000261868084 407646628 /nfs/dbraw/zinc/64/66/28/407646628.db2.gz NTOASRUEZFPCES-HNNXBMFYSA-N 1 0 320.389 1.691 10 0 DDAERO c1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)O2 ZINC000261960135 407692992 /nfs/dbraw/zinc/69/29/92/407692992.db2.gz PNBRHHUDHPVLBU-CAOSSQGBSA-N 1 0 318.417 1.573 10 0 DDAERO Cc1cccc(C)c1OC[C@H](C)NC(=O)C1(C[NH3+])CCOCC1 ZINC000261988445 407705758 /nfs/dbraw/zinc/70/57/58/407705758.db2.gz SJRCOPRAXVSOBB-HNNXBMFYSA-N 1 0 320.433 1.942 10 0 DDAERO c1c(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)nc2n1CCCC2 ZINC000262007106 407706565 /nfs/dbraw/zinc/70/65/65/407706565.db2.gz VFHQRIDOPCCRRX-BRWVUGGUSA-N 1 0 318.465 1.509 10 0 DDAERO [NH3+][C@@H](C(=O)Nc1cccc(NC(=O)C2CC2)c1)C1CCOCC1 ZINC000262001748 407707055 /nfs/dbraw/zinc/70/70/55/407707055.db2.gz NLTKWWDXDGBJAP-OAHLLOKOSA-N 1 0 317.389 1.728 10 0 DDAERO COCCOc1cc2c(cc1CN1C[C@H]([NH3+])[C@@H](C)C1)OCO2 ZINC000262016389 407712433 /nfs/dbraw/zinc/71/24/33/407712433.db2.gz MRYKYUXLIDIBQU-AAEUAGOBSA-N 1 0 308.378 1.220 10 0 DDAERO CCc1nccn1[C@@H]1CCC[N@H+](CCCC(=O)NC(N)=O)C1 ZINC000171614704 407718820 /nfs/dbraw/zinc/71/88/20/407718820.db2.gz FZTFFVPIXAMFIR-GFCCVEGCSA-N 1 0 307.398 1.058 10 0 DDAERO CCC(CC)[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)N1CCOCC1 ZINC000236692226 407752612 /nfs/dbraw/zinc/75/26/12/407752612.db2.gz XQZKEEFEFVZQMK-XHSDSOJGSA-N 1 0 311.470 1.367 10 0 DDAERO CC(C)Oc1ccccc1CC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116783319 407773204 /nfs/dbraw/zinc/77/32/04/407773204.db2.gz BITUWAGNOBWTDD-INIZCTEOSA-N 1 0 320.433 1.805 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)CSC[C@@H]2CCCCO2)CCO1 ZINC000116784946 407775716 /nfs/dbraw/zinc/77/57/16/407775716.db2.gz XWWCXHWFEWYXDD-KBPBESRZSA-N 1 0 316.467 1.078 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)nc2)CCO1 ZINC000116786954 407776014 /nfs/dbraw/zinc/77/60/14/407776014.db2.gz YTJHJSIPRNTAEX-OAHLLOKOSA-N 1 0 318.421 1.084 10 0 DDAERO Cc1ccc(SCC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000116792544 407779923 /nfs/dbraw/zinc/77/99/23/407779923.db2.gz XTPKAURDUSIMMF-AWEZNQCLSA-N 1 0 308.447 1.876 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC000262314834 407794043 /nfs/dbraw/zinc/79/40/43/407794043.db2.gz POTIUNADLODRFS-SNVBAGLBSA-N 1 0 310.354 1.180 10 0 DDAERO [NH3+]C1(C(=O)Nc2ccc(Cn3cccn3)cc2)CCOCC1 ZINC000262298526 407787665 /nfs/dbraw/zinc/78/76/65/407787665.db2.gz OHCXCKKEQVNDHL-UHFFFAOYSA-N 1 0 300.362 1.378 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1ncc(Cc2cccc(F)c2)s1 ZINC000262359653 407811524 /nfs/dbraw/zinc/81/15/24/407811524.db2.gz VJWHHVNGKAZSJE-GFCCVEGCSA-N 1 0 309.366 1.785 10 0 DDAERO C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000262563115 407867614 /nfs/dbraw/zinc/86/76/14/407867614.db2.gz ARLBIIJATHKJOG-CHWSQXEVSA-N 1 0 304.394 1.312 10 0 DDAERO Cc1cnn(CCNC(=O)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000118063661 407881068 /nfs/dbraw/zinc/88/10/68/407881068.db2.gz TXXQVNUBIOZZOC-AWEZNQCLSA-N 1 0 307.442 1.613 10 0 DDAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000262644993 407888061 /nfs/dbraw/zinc/88/80/61/407888061.db2.gz UURMMRCHRWBUFA-GUTXKFCHSA-N 1 0 318.421 1.830 10 0 DDAERO C[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000262640245 407888472 /nfs/dbraw/zinc/88/84/72/407888472.db2.gz SAQRMEGDDJLREO-BDJLRTHQSA-N 1 0 304.394 1.440 10 0 DDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N[C@H](CC(N)=O)c1cccc(Cl)c1 ZINC000262646160 407888762 /nfs/dbraw/zinc/88/87/62/407888762.db2.gz UTVLBPCJCXGEJU-GAJTVXKRSA-N 1 0 311.813 1.746 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000118857463 407952590 /nfs/dbraw/zinc/95/25/90/407952590.db2.gz ZPIFIHIPYVXFEC-OWCLPIDISA-N 1 0 311.470 1.164 10 0 DDAERO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000262849389 407956507 /nfs/dbraw/zinc/95/65/07/407956507.db2.gz ZGGAACBXSNMQSX-CVEARBPZSA-N 1 0 322.474 1.972 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(CCC(=O)N(C)c2ccccc2)C[C@@H]1C ZINC000135049404 407967524 /nfs/dbraw/zinc/96/75/24/407967524.db2.gz ZCBDTYRCDQSSJF-JKSUJKDBSA-N 1 0 319.449 1.426 10 0 DDAERO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccccc1OC(F)F ZINC000262748461 407915144 /nfs/dbraw/zinc/91/51/44/407915144.db2.gz MIELCJLMXYAGTA-UWVGGRQHSA-N 1 0 320.361 1.694 10 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CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)N1CCCC1=O ZINC000119481174 280078858 /nfs/dbraw/zinc/07/88/58/280078858.db2.gz JNEKRMLZPRUFMA-CABCVRRESA-N 1 0 309.454 1.624 10 0 DDAERO CC(C)[C@H](C(=O)NC[C@H]1C[NH2+]C[C@@H]1O)c1cccc(Cl)c1 ZINC000262274491 280175595 /nfs/dbraw/zinc/17/55/95/280175595.db2.gz NHANOCRGRZBCLG-SNPRPXQTSA-N 1 0 310.825 1.776 10 0 DDAERO Cc1c(NC(=O)[C@H]2CCC[NH2+]C2)cccc1N1CCOC1=O ZINC000119466151 281099668 /nfs/dbraw/zinc/09/96/68/281099668.db2.gz VHDLXSAJMDLGEW-LBPRGKRZSA-N 1 0 303.362 1.890 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(N)cc1 ZINC000186094263 288313275 /nfs/dbraw/zinc/31/32/75/288313275.db2.gz UJZYTFCWGPKWQI-UONOGXRCSA-N 1 0 309.435 1.516 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C/SCc2ccco2)C[C@@H]1C ZINC000246734004 282010990 /nfs/dbraw/zinc/01/09/90/282010990.db2.gz XTQMPSHUNIBYIQ-OQOLLCEYSA-N 1 0 324.446 1.940 10 0 DDAERO CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CCN1C[C@H](C)O ZINC000246994176 282027966 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Cc1nc(-c2ccccc2)sc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262204371 484265004 /nfs/dbraw/zinc/26/50/04/484265004.db2.gz ILWHTKZSZJGRSA-CHWSQXEVSA-N 1 0 317.414 1.429 10 0 DDAERO O=C(Cc1coc2cc3c(cc12)CCC3)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262215527 484265641 /nfs/dbraw/zinc/26/56/41/484265641.db2.gz JDDGQZNRYQDAPV-HOCLYGCPSA-N 1 0 314.385 1.161 10 0 DDAERO Cc1nn(Cc2ccccc2)c(C)c1CNC[C@H]1C[NH2+]C[C@H]1O ZINC000263116544 484274703 /nfs/dbraw/zinc/27/47/03/484274703.db2.gz APMFYWOJMCHFFW-FUHWJXTLSA-N 1 0 314.433 1.218 10 0 DDAERO CCCc1cccc(C[N@@H+]2CC[C@](O)(Cn3ccnn3)C2)c1 ZINC000671491469 485074813 /nfs/dbraw/zinc/07/48/13/485074813.db2.gz SCNOKAOSCCRJMD-QGZVFWFLSA-N 1 0 300.406 1.868 10 0 DDAERO CCC[C@H]([NH3+])C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 ZINC000156601846 521109471 /nfs/dbraw/zinc/10/94/71/521109471.db2.gz QDGDXOCHXUPXKX-ZDUSSCGKSA-N 1 0 306.406 1.979 10 0 DDAERO C[C@H](NC(=O)[C@H]1CCC[NH2+]C1)c1ccc(N2CCCC2=O)cc1 ZINC000156015352 525174550 /nfs/dbraw/zinc/17/45/50/525174550.db2.gz YXQBBJGIYOOOIM-ZFWWWQNUSA-N 1 0 315.417 1.990 10 0 DDAERO CCCn1cc(C[NH2+][C@@H]2CCCN(c3ncc[nH]c3=O)C2)cn1 ZINC000328628661 528846042 /nfs/dbraw/zinc/84/60/42/528846042.db2.gz HLLWGKSVWQZZMH-CQSZACIVSA-N 1 0 316.409 1.547 10 0 DDAERO CCC[C@@H](C(=O)N1CCC(N2CCCNC2=O)CC1)[NH+](C)C ZINC000164114202 535310678 /nfs/dbraw/zinc/31/06/78/535310678.db2.gz VCCACAUKWQLIHP-AWEZNQCLSA-N 1 0 310.442 1.123 10 0 DDAERO C[NH+](C)C[C@H](NC(=O)CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000123271023 696730283 /nfs/dbraw/zinc/73/02/83/696730283.db2.gz MUBPHYSNFUOUFF-AWEZNQCLSA-N 1 0 321.421 1.930 10 0 DDAERO CCOCCN1CCN(C(=O)c2ccc(NC=O)cc2)C[C@@H]1C ZINC000174952715 697393415 /nfs/dbraw/zinc/39/34/15/697393415.db2.gz OAMBARWORIRTJC-AWEZNQCLSA-N 1 0 319.405 1.438 10 0 DDAERO Cn1cc([C@@H]2CCN(CN3Cc4ccc(F)cc4C3=O)C2)cn1 ZINC000179859372 697442212 /nfs/dbraw/zinc/44/22/12/697442212.db2.gz WJJPGWKUKJYYNG-GFCCVEGCSA-N 1 0 314.364 1.962 10 0 DDAERO CC(C)(C)n1cc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)cn1 ZINC000180908982 697453133 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CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC[S@](=O)C(C)(C)C)C1 ZINC000246842647 698356364 /nfs/dbraw/zinc/35/63/64/698356364.db2.gz FBQNGPRNJVISTK-ZNLKAECVSA-N 1 0 317.499 1.562 10 0 DDAERO CSC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000248949217 698384364 /nfs/dbraw/zinc/38/43/64/698384364.db2.gz AXSKXINIYXTUSJ-JHJVBQTASA-N 1 0 318.483 1.993 10 0 DDAERO CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)O[C@H]2C[NH+]3CCC2CC3)C1 ZINC000252506842 698402709 /nfs/dbraw/zinc/40/27/09/698402709.db2.gz WONIUSUIBVCTQS-IMJJTQAJSA-N 1 0 322.449 1.909 10 0 DDAERO C[NH2+][C@H](C)CNS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000261652687 698431351 /nfs/dbraw/zinc/43/13/51/698431351.db2.gz DMJPBLCFRGFCAU-MRVPVSSYSA-N 1 0 312.313 1.471 10 0 DDAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000261669818 698431782 /nfs/dbraw/zinc/43/17/82/698431782.db2.gz GRMABCBNCCCVDX-QMMMGPOBSA-N 1 0 308.856 1.948 10 0 DDAERO C[C@H](NC(=O)[C@H]1C[C@H](C)CC[NH2+]1)c1ccc(S(C)(=O)=O)cc1 ZINC000262555299 698474863 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CS(=O)(=O)c1cccnc1NC[C@@H]1C[NH2+]CCC1(F)F ZINC000717002124 699285558 /nfs/dbraw/zinc/28/55/58/699285558.db2.gz XFIAVKWILUICGQ-VIFPVBQESA-N 1 0 305.350 1.142 10 0 DDAERO Cc1sc(C)c(S(=O)(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)c1C ZINC000722600476 699319612 /nfs/dbraw/zinc/31/96/12/699319612.db2.gz LOSQKLFPYJEEPZ-UFBFGSQYSA-N 1 0 302.465 1.889 10 0 DDAERO CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]C2CC(C(N)=O)C2)C1 ZINC000724079431 699324451 /nfs/dbraw/zinc/32/44/51/699324451.db2.gz AAYRVMSWGNUQMD-GMKTYKIGSA-N 1 0 311.426 1.533 10 0 DDAERO Cn1cnc([C@@H]2CN(CCCc3cccc(F)c3)C[C@H]2[NH3+])c1 ZINC000864297166 706122967 /nfs/dbraw/zinc/12/29/67/706122967.db2.gz QWJVKYRLZSFMED-HZPDHXFCSA-N 1 0 302.397 1.919 10 0 DDAERO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000896849092 708163704 /nfs/dbraw/zinc/16/37/04/708163704.db2.gz AGGINRSCHJGTES-CABCVRRESA-N 1 0 304.394 1.184 10 0 DDAERO CCn1cnnc1[C@@H]1CN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CCO1 ZINC000897471609 708343089 /nfs/dbraw/zinc/34/30/89/708343089.db2.gz PITODQOJTFLQPE-OLZOCXBDSA-N 1 0 321.425 1.071 10 0 DDAERO Cc1nocc1C[NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C ZINC000886038094 708686737 /nfs/dbraw/zinc/68/67/37/708686737.db2.gz HVPNXOIAJZFVLX-IUODEOHRSA-N 1 0 303.366 1.168 10 0 DDAERO CC(=O)NCc1cc(O[C@@H]2CC[N@H+](Cc3cc[nH]c3)C2)ccn1 ZINC000886056954 708689987 /nfs/dbraw/zinc/68/99/87/708689987.db2.gz ZCPJFHMIPUWTNE-QGZVFWFLSA-N 1 0 314.389 1.699 10 0 DDAERO CCc1noc(C)c1C[N@@H+]1C[C@@H](OC)[C@H](c2cn(C)nn2)C1 ZINC000886071816 708692471 /nfs/dbraw/zinc/69/24/71/708692471.db2.gz LJLKAMTULMUAJA-SWLSCSKDSA-N 1 0 305.382 1.288 10 0 DDAERO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2NCc2nnc(C(C)C)o2)C1 ZINC000886075192 708692941 /nfs/dbraw/zinc/69/29/41/708692941.db2.gz FCRIFFNFTGBUMG-MCIONIFRSA-N 1 0 308.426 1.924 10 0 DDAERO C[NH+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3ccon3)C2)ccn1 ZINC000886095364 708697266 /nfs/dbraw/zinc/69/72/66/708697266.db2.gz TWQJAMSBMUXJQZ-CQSZACIVSA-N 1 0 316.361 1.425 10 0 DDAERO CC[NH+](CC)CCN1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 ZINC000888076810 709209720 /nfs/dbraw/zinc/20/97/20/709209720.db2.gz HLIMLKQKPSQEFN-KRWDZBQOSA-N 1 0 322.453 1.658 10 0 DDAERO Cc1noc(C[C@]2(O)CCC[N@H+](Cc3c(C)n[nH]c3C)C2)n1 ZINC000888076976 709209771 /nfs/dbraw/zinc/20/97/71/709209771.db2.gz APGHVFKUVCCZFI-OAHLLOKOSA-N 1 0 305.382 1.288 10 0 DDAERO COCC1(c2noc(CN3CCCC[C@H]([NH3+])C3=O)n2)CCCC1 ZINC000888078388 709210406 /nfs/dbraw/zinc/21/04/06/709210406.db2.gz NEXZZGANNKVPFB-LBPRGKRZSA-N 1 0 322.409 1.368 10 0 DDAERO C[C@@H](c1ccc(F)nc1)[N@@H+]1CCC[C@@](O)(CC(=O)N(C)C)C1 ZINC000930773733 713916945 /nfs/dbraw/zinc/91/69/45/713916945.db2.gz GZMFOUHNDQMNAJ-BLLLJJGKSA-N 1 0 309.385 1.587 10 0 DDAERO Cc1nc(C[C@@H]2CCCN(C(=O)CC[NH2+]C(C)(C)C)C2)no1 ZINC000931896287 714208281 /nfs/dbraw/zinc/20/82/81/714208281.db2.gz SLBQZCYCASVSID-ZDUSSCGKSA-N 1 0 308.426 1.937 10 0 DDAERO Cc1ccc(N2CCC[C@@H](NC(=O)CC[NH2+]C(C)(C)C)C2)nn1 ZINC000933144108 714522933 /nfs/dbraw/zinc/52/29/33/714522933.db2.gz SABBMZBMEDARHX-CQSZACIVSA-N 1 0 319.453 1.648 10 0 DDAERO Cc1cc2ccccc2n(CCC(=O)NCCC[NH+](C)C)c1=O ZINC000074646326 185005443 /nfs/dbraw/zinc/00/54/43/185005443.db2.gz AVRXBEKBVOSOHC-UHFFFAOYSA-N 1 0 315.417 1.768 10 0 DDAERO CC[C@H]1CN(C(=O)NC(C2CC2)C2CC2)CC[N@@H+]1C[C@H](C)O ZINC000248464677 282086090 /nfs/dbraw/zinc/08/60/90/282086090.db2.gz YQANBYLCVBFHCE-WFASDCNBSA-N 1 0 309.454 1.662 10 0 DDAERO Cc1nc2cc(NC(=O)N3CCO[C@@H](C[NH+](C)C)C3)ccc2o1 ZINC000181241198 199270218 /nfs/dbraw/zinc/27/02/18/199270218.db2.gz RQZBHACJELPMPY-ZDUSSCGKSA-N 1 0 318.377 1.931 10 0 DDAERO C[C@@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000081901502 192334849 /nfs/dbraw/zinc/33/48/49/192334849.db2.gz DBAYRJZMQLLPGB-RYUDHWBXSA-N 1 0 313.419 1.932 10 0 DDAERO CCOc1ccc([C@@H](C)[NH2+]C)cc1CS(=O)(=O)CCOC ZINC000081943692 192343873 /nfs/dbraw/zinc/34/38/73/192343873.db2.gz JTOCNFYSHZWYAZ-GFCCVEGCSA-N 1 0 315.435 1.927 10 0 DDAERO CC(C)(C)[C@@H](CC[NH3+])CCC(=O)NCCCS(C)(=O)=O ZINC000079291476 185163597 /nfs/dbraw/zinc/16/35/97/185163597.db2.gz DRRBHJCYZSCFBY-GFCCVEGCSA-N 1 0 306.472 1.329 10 0 DDAERO CC(C)[C@H]1CCCN(S(=O)(=O)c2cc[nH+]c(NN)c2)CC1 ZINC000079357927 185166917 /nfs/dbraw/zinc/16/69/17/185166917.db2.gz FIPBXUYEBPQVKB-LBPRGKRZSA-N 1 0 312.439 1.814 10 0 DDAERO CCC[C@@H]1CCCN(S(=O)(=O)c2cc[nH+]c(NN)c2)CC1 ZINC000079357876 185166970 /nfs/dbraw/zinc/16/69/70/185166970.db2.gz ZFJLYESEFXLHQB-GFCCVEGCSA-N 1 0 312.439 1.958 10 0 DDAERO C[NH+]1CCC(CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000082316198 185175824 /nfs/dbraw/zinc/17/58/24/185175824.db2.gz WPDBAVILNREXLI-UHFFFAOYSA-N 1 0 317.437 1.247 10 0 DDAERO C[C@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)[C@H]1CCCO1 ZINC000083177826 185216065 /nfs/dbraw/zinc/21/60/65/185216065.db2.gz LQBMYXRFLMEVRE-DZGCQCFKSA-N 1 0 311.426 1.060 10 0 DDAERO Cc1c([C@H]2[C@H]([NH2+]Cc3cncs3)CC(=O)N2C)cnn1C ZINC000328642288 231279178 /nfs/dbraw/zinc/27/91/78/231279178.db2.gz YKAMMEJLEWKOBM-OCCSQVGLSA-N 1 0 305.407 1.247 10 0 DDAERO O=c1cc(C[N@@H+]2CCC[C@H](n3cccn3)C2)nc2ccccn12 ZINC000328679049 231305606 /nfs/dbraw/zinc/30/56/06/231305606.db2.gz BLDPBJHFFRADJY-HNNXBMFYSA-N 1 0 309.373 1.728 10 0 DDAERO CS(=O)(=O)C[C@@H](O)[C@@H](C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000087373771 185222933 /nfs/dbraw/zinc/22/29/33/185222933.db2.gz KOGBRNVEUBYWGV-WDEREUQCSA-N 1 0 311.325 1.153 10 0 DDAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(OC)c(OC)cc1C ZINC000087403935 185223881 /nfs/dbraw/zinc/22/38/81/185223881.db2.gz FVFABNRUWNZWLK-NSHDSACASA-N 1 0 316.423 1.418 10 0 DDAERO CCC[C@H](C[NH3+])C(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000087521862 185227658 /nfs/dbraw/zinc/22/76/58/185227658.db2.gz NSPIEWRIAWKYBP-SECBINFHSA-N 1 0 320.361 1.996 10 0 DDAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccc(S(=O)(=O)NCC)cc1 ZINC000087520096 185227709 /nfs/dbraw/zinc/22/77/09/185227709.db2.gz LEGWMPYDCBGSEZ-NSHDSACASA-N 1 0 313.423 1.298 10 0 DDAERO COc1cc(CN2CC([NH3+])C2)c(OC)cc1Br ZINC000087589936 185229079 /nfs/dbraw/zinc/22/90/79/185229079.db2.gz TUEUCNBYHHMFHP-UHFFFAOYSA-N 1 0 301.184 1.609 10 0 DDAERO O=C(C[C@H]1CCCCNC1=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000328790301 231344586 /nfs/dbraw/zinc/34/45/86/231344586.db2.gz QEYNAWOYVVAHDO-HUUCEWRRSA-N 1 0 323.437 1.314 10 0 DDAERO C[C@@H]([NH3+])CCC[C@@H](C)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000087685902 185230557 /nfs/dbraw/zinc/23/05/57/185230557.db2.gz ILDDHYXKUCDSSF-GHMZBOCLSA-N 1 0 313.423 1.577 10 0 DDAERO Cc1nnc(SCCC(=O)NC2CCCCC2)n1CC[NH3+] ZINC000087714668 185230856 /nfs/dbraw/zinc/23/08/56/185230856.db2.gz ZUVAKNYHWBUERI-UHFFFAOYSA-N 1 0 311.455 1.476 10 0 DDAERO Cc1nnc(S[C@@H](C)C(=O)N2CCCCCC2)n1CC[NH3+] ZINC000087711384 185230890 /nfs/dbraw/zinc/23/08/90/185230890.db2.gz XMWBLZYKOSAAAA-NSHDSACASA-N 1 0 311.455 1.428 10 0 DDAERO C[NH2+][C@@H](C)c1ccc(OC)c(CS(=O)(=O)CC(=O)OC)c1 ZINC000081975504 192347521 /nfs/dbraw/zinc/34/75/21/192347521.db2.gz QACCJTJMIAIQGO-JTQLQIEISA-N 1 0 315.391 1.063 10 0 DDAERO C[C@@H]([NH3+])C[S@](=O)CCOc1ccc(Br)cc1 ZINC000088069427 185238562 /nfs/dbraw/zinc/23/85/62/185238562.db2.gz BKBSWTIQKOESTL-ABKXIKBNSA-N 1 0 306.225 1.924 10 0 DDAERO CCn1nc(C)c(Br)c1C[S@](=O)C[C@H](C)[NH3+] ZINC000088069884 185238566 /nfs/dbraw/zinc/23/85/66/185238566.db2.gz QOONKBXFPLTCMF-GYKQLYQFSA-N 1 0 308.245 1.570 10 0 DDAERO Nc1cc(Cl)ccc1SC[C@@H](O)CN1CC[NH2+]CC1 ZINC000088061967 185238695 /nfs/dbraw/zinc/23/86/95/185238695.db2.gz VNGHVKBMKUTDFP-NSHDSACASA-N 1 0 301.843 1.280 10 0 DDAERO C[C@@H](Nc1nc(NN)[nH+]cc1Br)[C@@H]1CCCO1 ZINC000087853727 185233625 /nfs/dbraw/zinc/23/36/25/185233625.db2.gz VBRBLEWGNLUNHY-SVRRBLITSA-N 1 0 302.176 1.504 10 0 DDAERO CCCN1CCN(c2nc(NN)[nH+]cc2Br)CC1 ZINC000087864250 185233911 /nfs/dbraw/zinc/23/39/11/185233911.db2.gz AOVOKITVRJOGCW-UHFFFAOYSA-N 1 0 315.219 1.057 10 0 DDAERO COC(=O)CCS(=O)(=O)[C@H]1CCCc2ccccc2[C@H]1[NH3+] ZINC000081974823 192348030 /nfs/dbraw/zinc/34/80/30/192348030.db2.gz FSTNLMCMLQMKFN-DZGCQCFKSA-N 1 0 311.403 1.369 10 0 DDAERO CN(CC[N@H+](C)Cc1ccc(F)cc1)CC(=O)N1CCOCC1 ZINC000173214873 539227526 /nfs/dbraw/zinc/22/75/26/539227526.db2.gz CHZQKFPEKZMAMH-UHFFFAOYSA-N 1 0 323.412 1.048 10 0 DDAERO CN(C)S(=O)(=O)Nc1ccc(C(N)=[NH2+])c(C(F)(F)F)c1 ZINC000088191713 185241309 /nfs/dbraw/zinc/24/13/09/185241309.db2.gz ANHACHYNYDVEMR-UHFFFAOYSA-N 1 0 310.301 1.208 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCCOC[C@H]2CCCO2)C1 ZINC000249751123 282194167 /nfs/dbraw/zinc/19/41/67/282194167.db2.gz CXODYLWAEGWJPV-HUUCEWRRSA-N 1 0 313.442 1.356 10 0 DDAERO C[C@H](C[NH3+])CS(=O)(=O)Cc1cccc(Br)c1 ZINC000088090292 185239672 /nfs/dbraw/zinc/23/96/72/185239672.db2.gz KCCSJNONSVXOTA-SECBINFHSA-N 1 0 306.225 1.959 10 0 DDAERO [NH3+][C@H]1CCOC[C@H]1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000088312004 185245339 /nfs/dbraw/zinc/24/53/39/185245339.db2.gz PLHOGSHCRGTASK-WDEREUQCSA-N 1 0 310.202 1.883 10 0 DDAERO C[NH2+][C@H]1c2ccccc2CC[C@H]1S(=O)(=O)CCC(=O)OC ZINC000081974588 192348293 /nfs/dbraw/zinc/34/82/93/192348293.db2.gz SZHYXOQRXFRFIM-HIFRSBDPSA-N 1 0 311.403 1.240 10 0 DDAERO COC(=O)CS(=O)(=O)[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000081976475 192348320 /nfs/dbraw/zinc/34/83/20/192348320.db2.gz LTMRCELJRZQELE-HZSPNIEDSA-N 1 0 311.403 1.238 10 0 DDAERO C[C@@H]([NH2+]CC(=O)NCCCOC1CCCCC1)[C@H]1CCCO1 ZINC000183124549 539240983 /nfs/dbraw/zinc/24/09/83/539240983.db2.gz SVWJCFDLPCONIN-GDBMZVCRSA-N 1 0 312.454 1.999 10 0 DDAERO CN(C)c1nnc(SC[C@@H](O)[C@H]([NH3+])Cc2ccccc2)s1 ZINC000088398599 185248375 /nfs/dbraw/zinc/24/83/75/185248375.db2.gz DUFNVNHVOSDTNX-VXGBXAGGSA-N 1 0 324.475 1.627 10 0 DDAERO Cc1noc(C)c1S(=O)(=O)N1CC[NH2+]CC12CCCCC2 ZINC000088396194 185248455 /nfs/dbraw/zinc/24/84/55/185248455.db2.gz NPQZFNLNSPVOGI-UHFFFAOYSA-N 1 0 313.423 1.588 10 0 DDAERO COC(=O)[C@](C)(C[NH+]1CCC(C(F)(F)F)CC1)NC1CC1 ZINC000088435586 185250378 /nfs/dbraw/zinc/25/03/78/185250378.db2.gz ZCRPAMWDSJHLGT-ZDUSSCGKSA-N 1 0 308.344 1.944 10 0 DDAERO O=C(COC1CC[NH2+]CC1)Nc1ncccc1Br ZINC000088447141 185251176 /nfs/dbraw/zinc/25/11/76/185251176.db2.gz GXPPTMUIBWIUTL-UHFFFAOYSA-N 1 0 314.183 1.551 10 0 DDAERO CC(C)[NH2+]CCS(=O)(=O)Nc1ncccc1Br ZINC000088447284 185251193 /nfs/dbraw/zinc/25/11/93/185251193.db2.gz WRRKUNPWLMLNLJ-UHFFFAOYSA-N 1 0 322.228 1.584 10 0 DDAERO COC[C@@H](C)N(C)S(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000088544138 185256761 /nfs/dbraw/zinc/25/67/61/185256761.db2.gz WAERKVBHTBSMSY-GFCCVEGCSA-N 1 0 318.439 1.681 10 0 DDAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N(C)[C@H](C)COC)o1 ZINC000088544132 185256910 /nfs/dbraw/zinc/25/69/10/185256910.db2.gz GVIVUSLJNFAHRW-LLVKDONJSA-N 1 0 304.412 1.435 10 0 DDAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCO[C@@H](C)C2)o1 ZINC000088544560 185257030 /nfs/dbraw/zinc/25/70/30/185257030.db2.gz UXEAQHCMOWNNLU-LBPRGKRZSA-N 1 0 316.423 1.577 10 0 DDAERO CCC[NH2+][C@H]1CCC2(C[C@@H]1S(=O)(=O)C(C)C)OCCO2 ZINC000081980556 192348868 /nfs/dbraw/zinc/34/88/68/192348868.db2.gz AJCDJQCLDVZROU-STQMWFEESA-N 1 0 305.440 1.473 10 0 DDAERO CCOCC[N@@H+]1CCN(c2ncnc3onc(C)c32)C[C@H]1CC ZINC000193394379 539261317 /nfs/dbraw/zinc/26/13/17/539261317.db2.gz KUVKWHZPSVGJPY-CYBMUJFWSA-N 1 0 319.409 1.863 10 0 DDAERO Cc1nn(C)c2sc(C(=O)N[C@@H](C)CC[NH+](C)C)c(N)c12 ZINC000088641981 185261116 /nfs/dbraw/zinc/26/11/16/185261116.db2.gz TXDQMPAWUSJYFS-QMMMGPOBSA-N 1 0 309.439 1.595 10 0 DDAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1sc2ncccc2c1N ZINC000088643479 185261322 /nfs/dbraw/zinc/26/13/22/185261322.db2.gz NPTSVOKUSLDBEF-SNVBAGLBSA-N 1 0 304.419 1.902 10 0 DDAERO CC[C@@H]1CN(C(=O)N[C@H](C)[C@H]2CCCO2)CC[N@@H+]1C[C@H](C)O ZINC000248458743 539272049 /nfs/dbraw/zinc/27/20/49/539272049.db2.gz QPQYRYNYRCTBNB-GBJTYRQASA-N 1 0 313.442 1.041 10 0 DDAERO CC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1S(=O)(=O)CC(=O)OCC ZINC000081978040 192349421 /nfs/dbraw/zinc/34/94/21/192349421.db2.gz XMIBIGASGHMARY-NEPJUHHUSA-N 1 0 305.440 1.521 10 0 DDAERO C[C@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCCO1 ZINC000248584123 539272239 /nfs/dbraw/zinc/27/22/39/539272239.db2.gz JIGIUZPDPIGTPF-TUAOUCFPSA-N 1 0 308.344 1.944 10 0 DDAERO COc1ccc([C@H]([NH3+])[C@@H](C)S(=O)(=O)C2CCOCC2)cc1 ZINC000081990168 192350738 /nfs/dbraw/zinc/35/07/38/192350738.db2.gz MVURSHUVWTXBOM-IAQYHMDHSA-N 1 0 313.419 1.677 10 0 DDAERO O=C1CC[C@@H]([NH2+]C[C@@H](O)c2cc(Cl)ccc2Cl)C(=O)N1 ZINC000090016431 185278146 /nfs/dbraw/zinc/27/81/46/185278146.db2.gz KYRPWXHEAXVDNI-GHMZBOCLSA-N 1 0 317.172 1.422 10 0 DDAERO CCN([C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)C1C[NH2+]C1 ZINC000090290994 185289525 /nfs/dbraw/zinc/28/95/25/185289525.db2.gz NBYHYXYYEUTCFS-GFCCVEGCSA-N 1 0 311.451 1.292 10 0 DDAERO O=C(c1ccc(Cl)c(Cl)c1)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308889 185290560 /nfs/dbraw/zinc/29/05/60/185290560.db2.gz BKXYWQXHNFGRAM-UHFFFAOYSA-N 1 0 314.216 1.723 10 0 DDAERO CCCc1ccc(S(=O)(=O)N[C@@H]2[C@H]([NH3+])C[C@@H]2OCC)cc1 ZINC000090312925 185290613 /nfs/dbraw/zinc/29/06/13/185290613.db2.gz WCCWOMCVDFNJLZ-QLFBSQMISA-N 1 0 312.435 1.422 10 0 DDAERO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090322107 185290866 /nfs/dbraw/zinc/29/08/66/185290866.db2.gz DGUKYPWWGHPRBA-RKDXNWHRSA-N 1 0 321.229 1.833 10 0 DDAERO CC(C)NS(=O)(=O)c1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000090322672 185291059 /nfs/dbraw/zinc/29/10/59/185291059.db2.gz XPZVNAQEYWLCJV-CHWSQXEVSA-N 1 0 309.435 1.029 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)NCc1ccccc1C(F)(F)F ZINC000090437520 185296303 /nfs/dbraw/zinc/29/63/03/185296303.db2.gz FBQBMJZRESNANA-PWSUYJOCSA-N 1 0 302.296 1.556 10 0 DDAERO CCOCCCN(CC(F)(F)F)C(=O)[C@@H]1COC[C@@H]1[NH2+]C ZINC000090435165 185296422 /nfs/dbraw/zinc/29/64/22/185296422.db2.gz MUEQGYLXSZVDAA-MNOVXSKESA-N 1 0 312.332 1.038 10 0 DDAERO C[C@@]1(C(=O)NCc2ccccc2Br)COC[C@@H]1[NH3+] ZINC000090600058 185305719 /nfs/dbraw/zinc/30/57/19/185305719.db2.gz CZQDVNVEOYLLTE-WCQYABFASA-N 1 0 313.195 1.429 10 0 DDAERO C[NH+](C)C[C@@H]1CSCCCN1C(=O)COc1cccnc1 ZINC000090699666 185310148 /nfs/dbraw/zinc/31/01/48/185310148.db2.gz SONYXBWJHWSHON-CYBMUJFWSA-N 1 0 309.435 1.356 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(C)cc1N ZINC000092622749 185329770 /nfs/dbraw/zinc/32/97/70/185329770.db2.gz QDPWEKSWDIZTOA-CYBMUJFWSA-N 1 0 311.451 1.682 10 0 DDAERO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(N)cc(F)c1 ZINC000092622101 185329894 /nfs/dbraw/zinc/32/98/94/185329894.db2.gz OAKWWOZKKAYNPU-LBPRGKRZSA-N 1 0 301.387 1.123 10 0 DDAERO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1c(N)cccc1Cl ZINC000092622389 185330140 /nfs/dbraw/zinc/33/01/40/185330140.db2.gz CNELPYBULGKLPJ-SNVBAGLBSA-N 1 0 317.842 1.637 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cccnc1Cl ZINC000092627889 185330322 /nfs/dbraw/zinc/33/03/22/185330322.db2.gz BTVOTXSEKJFVOO-LLVKDONJSA-N 1 0 317.842 1.840 10 0 DDAERO COc1ccc(CN(C)C[C@H]2CCC[N@@H+]2C)cc1C(N)=S ZINC000092629035 185330610 /nfs/dbraw/zinc/33/06/10/185330610.db2.gz AFDYJUNWZHUWLN-CYBMUJFWSA-N 1 0 307.463 1.855 10 0 DDAERO C[C@@H](NC(=O)c1cn(C2C[NH2+]C2)nn1)c1cccc(Cl)c1 ZINC000092701532 185333737 /nfs/dbraw/zinc/33/37/37/185333737.db2.gz RLYRNDGSJXKSCJ-SECBINFHSA-N 1 0 305.769 1.567 10 0 DDAERO Cc1cc([C@@H](C)NC(=O)c2cn(C3C[NH2+]C3)nn2)c(C)s1 ZINC000092700826 185333776 /nfs/dbraw/zinc/33/37/76/185333776.db2.gz BRARKZPWYWJEAA-SECBINFHSA-N 1 0 305.407 1.592 10 0 DDAERO Cc1nn(C)c(Cl)c1C[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246578103 282268156 /nfs/dbraw/zinc/26/81/56/282268156.db2.gz VZRABJYGBQSTAH-FZMZJTMJSA-N 1 0 312.845 1.534 10 0 DDAERO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(Sc2nc[nH]n2)cc1 ZINC000092952979 185350443 /nfs/dbraw/zinc/35/04/43/185350443.db2.gz DCLBVFBBJSNWHW-BXKDBHETSA-N 1 0 303.391 1.892 10 0 DDAERO CCC[C@@H](C(=O)N1CCC(OCCCOC)CC1)[NH+](C)C ZINC000164202737 306681753 /nfs/dbraw/zinc/68/17/53/306681753.db2.gz YLOHEUKEHNLZLI-HNNXBMFYSA-N 1 0 300.443 1.761 10 0 DDAERO C[C@@H](C(=O)N(C)Cc1ccccc1N1CCOCC1)C1C[NH2+]C1 ZINC000262614993 295707745 /nfs/dbraw/zinc/70/77/45/295707745.db2.gz YYSXNNJJJPDCPY-CQSZACIVSA-N 1 0 317.433 1.337 10 0 DDAERO C[NH2+][C@@H](C[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCCO2 ZINC000097077916 185406059 /nfs/dbraw/zinc/40/60/59/185406059.db2.gz ONOCCFCWZIVQNV-AAEUAGOBSA-N 1 0 311.403 1.543 10 0 DDAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)NC(=O)NCc1ccccc1 ZINC000183095722 199536216 /nfs/dbraw/zinc/53/62/16/199536216.db2.gz NIJBKFRMKIJYGL-YDHLFZDLSA-N 1 0 319.405 1.558 10 0 DDAERO CC(C)CCOc1ccc([C@@H](C)[NH2+]CC(=O)NC(N)=O)cc1 ZINC000181739588 199345510 /nfs/dbraw/zinc/34/55/10/199345510.db2.gz KAANMBZNVGLRDG-GFCCVEGCSA-N 1 0 307.394 1.957 10 0 DDAERO Cc1cnn(CCNC(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000181784411 199351516 /nfs/dbraw/zinc/35/15/16/199351516.db2.gz VJXLXMSVMUKNRR-HNNXBMFYSA-N 1 0 307.442 1.755 10 0 DDAERO CCC[NH2+][C@@H](C)[C@@H]1CCCN(S(=O)(=O)c2cccnc2)C1 ZINC000111713567 185628800 /nfs/dbraw/zinc/62/88/00/185628800.db2.gz NMNIXOTYECDYBH-UONOGXRCSA-N 1 0 311.451 1.870 10 0 DDAERO CCC[NH2+][C@@H](C)[C@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 ZINC000111713411 185628959 /nfs/dbraw/zinc/62/89/59/185628959.db2.gz CLGSDZATMYLFDI-GJZGRUSLSA-N 1 0 317.499 1.817 10 0 DDAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@@H]1c1cccc(N)c1 ZINC000616636808 362764233 /nfs/dbraw/zinc/76/42/33/362764233.db2.gz PBNBEJOYIGILIX-OAHLLOKOSA-N 1 0 320.437 1.740 10 0 DDAERO C[NH2+]CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(OC)cc1 ZINC000070192342 190869476 /nfs/dbraw/zinc/86/94/76/190869476.db2.gz WQJJGXZBZXWBNU-ZDUSSCGKSA-N 1 0 312.435 1.848 10 0 DDAERO COCc1cc(N2CC[C@H]([NH3+])C2)nc(-c2ccc(OC)cc2)n1 ZINC000070455861 190895803 /nfs/dbraw/zinc/89/58/03/190895803.db2.gz YPAOPKODDDVLQM-ZDUSSCGKSA-N 1 0 314.389 1.836 10 0 DDAERO COCCOCC[C@H](C[NH2+]CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000070483047 190900905 /nfs/dbraw/zinc/90/09/05/190900905.db2.gz ZWTPWQROEKCRAO-HUUCEWRRSA-N 1 0 321.483 1.336 10 0 DDAERO C[NH2+]C[C@H](Cc1ccc2c(c1)CCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000070502224 190902473 /nfs/dbraw/zinc/90/24/73/190902473.db2.gz RZEBVRVWXPAZSQ-SJORKVTESA-N 1 0 307.459 1.988 10 0 DDAERO CCOC(=O)CCCCC[NH2+]CCCN(CC)S(C)(=O)=O ZINC000071293638 190954595 /nfs/dbraw/zinc/95/45/95/190954595.db2.gz 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CC[C@H]([NH3+])c1cccc(S(=O)(=O)N[C@H](C)CCOC)c1 ZINC000081717757 192316927 /nfs/dbraw/zinc/31/69/27/192316927.db2.gz NDDRLFRAHUMOTP-RISCZKNCSA-N 1 0 300.424 1.800 10 0 DDAERO CC(C)[NH2+]CCN(C)c1ncncc1I ZINC000085468283 192509793 /nfs/dbraw/zinc/50/97/93/192509793.db2.gz CDZIIINSLORFPE-UHFFFAOYSA-N 1 0 320.178 1.515 10 0 DDAERO Ic1cncnc1NC1CC[NH2+]CC1 ZINC000085466421 192509920 /nfs/dbraw/zinc/50/99/20/192509920.db2.gz JOGNFMUDHRPOOC-UHFFFAOYSA-N 1 0 304.135 1.245 10 0 DDAERO CC[C@H]1CN(S(=O)(=O)c2c(C)nn(C)c2C)[C@@H](CC)C[NH2+]1 ZINC000086448571 192571760 /nfs/dbraw/zinc/57/17/60/192571760.db2.gz PBRBJOIKSIAGBW-STQMWFEESA-N 1 0 314.455 1.188 10 0 DDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(-n2ccnc2C)nc1 ZINC000237086761 202148512 /nfs/dbraw/zinc/14/85/12/202148512.db2.gz BEGCYZZKDNBFLX-XHDPSFHLSA-N 1 0 301.394 1.565 10 0 DDAERO CCN(c1ccccc1)S(=O)(=O)N(C)CCC[NH2+]C1CC1 ZINC000088921000 192657439 /nfs/dbraw/zinc/65/74/39/192657439.db2.gz VAUGNKZOPUOTTM-UHFFFAOYSA-N 1 0 311.451 1.832 10 0 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1 0 309.454 1.801 10 0 DDAERO C[C@H]1CN(c2ncc(I)cn2)C[C@H]1C[NH3+] ZINC000600961697 358358084 /nfs/dbraw/zinc/35/80/84/358358084.db2.gz UZFVHAFAZYGXIN-JGVFFNPUSA-N 1 0 318.162 1.112 10 0 DDAERO C[C@H](CC(=O)NCCCC[NH3+])S(=O)(=O)c1ccc(F)cc1 ZINC000181089541 199250519 /nfs/dbraw/zinc/25/05/19/199250519.db2.gz MRSBRKFLALTHOV-LLVKDONJSA-N 1 0 316.398 1.233 10 0 DDAERO CCC1(CC)CCN(S(=O)(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000089028510 192708676 /nfs/dbraw/zinc/70/86/76/192708676.db2.gz ZNDJYDOKZBHYTH-CQSZACIVSA-N 1 0 317.499 1.947 10 0 DDAERO CCn1nc(C[C@@H]([NH3+])[C@H]2CCS(=O)(=O)C2)c2ccccc21 ZINC000089180395 192740502 /nfs/dbraw/zinc/74/05/02/192740502.db2.gz MRJSOBSMHGDJFN-WCQYABFASA-N 1 0 307.419 1.361 10 0 DDAERO CCc1nn(C)c(CN2[C@@H](C)C[NH2+]C[C@@H]2C)c1Br ZINC000089322962 192766742 /nfs/dbraw/zinc/76/67/42/192766742.db2.gz YXYCAPSXHHFDSH-UWVGGRQHSA-N 1 0 315.259 1.927 10 0 DDAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cccc(OCC(F)F)n3)C[C@@H]12 ZINC000186907649 200029909 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ZINC000090767248 192930488 /nfs/dbraw/zinc/93/04/88/192930488.db2.gz ROAAYCJNKFYKIW-SECBINFHSA-N 1 0 302.216 1.948 10 0 DDAERO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(CC(=O)NC(C)C)C1 ZINC000195256964 201367440 /nfs/dbraw/zinc/36/74/40/201367440.db2.gz GTPBIHWLUAGSIZ-AWEZNQCLSA-N 1 0 324.494 1.730 10 0 DDAERO CN(Cc1cccnc1)C[C@H]1CC[N@H+](CCC2OCCO2)C1 ZINC000195269579 201369960 /nfs/dbraw/zinc/36/99/60/201369960.db2.gz MAERJBDROPZCSQ-MRXNPFEDSA-N 1 0 305.422 1.598 10 0 DDAERO CN1CC[C@@H](N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)C1=O ZINC000195284027 201372703 /nfs/dbraw/zinc/37/27/03/201372703.db2.gz NUCUHJKFOPKJEU-HZPDHXFCSA-N 1 0 302.422 1.066 10 0 DDAERO CCC[NH2+]CC(C)(C)CN1CCSC[C@H]1S(C)(=O)=O ZINC000090923748 192948559 /nfs/dbraw/zinc/94/85/59/192948559.db2.gz MLPFYDONPOUIOJ-GFCCVEGCSA-N 1 0 308.513 1.432 10 0 DDAERO CC[NH2+]CCC[C@@H](C)N1CCSC[C@@H]1S(=O)(=O)CC ZINC000090928277 192951247 /nfs/dbraw/zinc/95/12/47/192951247.db2.gz AASLKCQKXWSBRO-OLZOCXBDSA-N 1 0 308.513 1.574 10 0 DDAERO C[C@@H]([NH2+]CC1CC(O)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000091424260 193054179 /nfs/dbraw/zinc/05/41/79/193054179.db2.gz ZMFAVYKTOOUHPK-LKSINWNRSA-N 1 0 312.435 1.358 10 0 DDAERO Cc1cc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)ccc1NS(C)(=O)=O ZINC000091539244 193070761 /nfs/dbraw/zinc/07/07/61/193070761.db2.gz GINXWQBCSXTUKU-QWRGUYRKSA-N 1 0 311.407 1.432 10 0 DDAERO CC[C@@](C)([C@@H]([NH3+])Cc1c(Cl)c(C)nn1C)N1CCOCC1 ZINC000091611687 193079610 /nfs/dbraw/zinc/07/96/10/193079610.db2.gz CFZXNRCQKUNCKF-ZFWWWQNUSA-N 1 0 314.861 1.753 10 0 DDAERO COc1ccc(S(=O)(=O)NC2CCC([NH3+])CC2)c(OC)c1 ZINC000091843481 193116019 /nfs/dbraw/zinc/11/60/19/193116019.db2.gz DXZWKPULOHSSJO-UHFFFAOYSA-N 1 0 314.407 1.252 10 0 DDAERO CCC1CCC(C[NH3+])([C@@]2(O)CCC[C@@H]2S(C)(=O)=O)CC1 ZINC000091922190 193127288 /nfs/dbraw/zinc/12/72/88/193127288.db2.gz TXEHQPJIVSCXSV-OOJKYFRXSA-N 1 0 303.468 1.860 10 0 DDAERO Brc1cn2c(C[NH2+]C[C@H]3CCOC3)cnc2cn1 ZINC000092049541 193147825 /nfs/dbraw/zinc/14/78/25/193147825.db2.gz FNOSTXHKDWAKAV-SECBINFHSA-N 1 0 311.183 1.618 10 0 DDAERO COc1ccc(CN(C)C(=O)[C@@H]2CC[C@H](C[NH3+])O2)c(OC)c1 ZINC000261687524 203094667 /nfs/dbraw/zinc/09/46/67/203094667.db2.gz HITFHCLPCUULFW-KGLIPLIRSA-N 1 0 308.378 1.169 10 0 DDAERO O=C(N[C@@H]1COc2ccccc21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246431785 284132167 /nfs/dbraw/zinc/13/21/67/284132167.db2.gz MZDZBYAREUZMBY-DZGCQCFKSA-N 1 0 301.390 2.000 10 0 DDAERO COc1ccsc1C(=O)Nc1nc(C2CC[NH2+]CC2)nn1C ZINC000262407651 203287001 /nfs/dbraw/zinc/28/70/01/203287001.db2.gz RYBLWMMUNLXSGX-UHFFFAOYSA-N 1 0 321.406 1.605 10 0 DDAERO Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c(OC(C)(C)C)c1 ZINC000262491489 203308452 /nfs/dbraw/zinc/30/84/52/203308452.db2.gz ZOOGKUYNEUJPMJ-KGLIPLIRSA-N 1 0 306.406 1.511 10 0 DDAERO COc1ccc(CC2([C@H]3CCS(=O)(=O)C3)C[NH2+]C2)cc1F ZINC000093195531 193214738 /nfs/dbraw/zinc/21/47/38/193214738.db2.gz UYIGJFQVERSHEY-LBPRGKRZSA-N 1 0 313.394 1.401 10 0 DDAERO CS(=O)(=O)Nc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)ccc1F ZINC000093213454 193216940 /nfs/dbraw/zinc/21/69/40/193216940.db2.gz NPVCZYBEENCDTN-ZJUUUORDSA-N 1 0 301.387 1.879 10 0 DDAERO CC(C)(Cn1c(N)[nH+]c2ccc(F)c(F)c21)S(C)(=O)=O ZINC000093524692 193264012 /nfs/dbraw/zinc/26/40/12/193264012.db2.gz FIGVIRDPHDVRDF-UHFFFAOYSA-N 1 0 303.334 1.720 10 0 DDAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCN(C)CC(F)(F)F ZINC000093589440 193271462 /nfs/dbraw/zinc/27/14/62/193271462.db2.gz ZWMALUTXHPCYLR-DGCLKSJQSA-N 1 0 309.376 1.894 10 0 DDAERO O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCOC2(CCC2)C1 ZINC000262729694 203393822 /nfs/dbraw/zinc/39/38/22/203393822.db2.gz HVKXWNKBLWLOHM-ZDUSSCGKSA-N 1 0 304.394 1.203 10 0 DDAERO Cc1nc(SCC[C@H]2CCC[C@@]2([NH3+])C(N)=O)nc(C)c1C ZINC000093631263 193277427 /nfs/dbraw/zinc/27/74/27/193277427.db2.gz BLRMIZROCMSJAE-DOMZBBRYSA-N 1 0 308.451 1.867 10 0 DDAERO NC(=O)[C@@]1([NH3+])CCC[C@@H]1CCSc1nnc2ccccn21 ZINC000093630497 193277615 /nfs/dbraw/zinc/27/76/15/193277615.db2.gz AMVZSDJFYIQINH-QMTHXVAHSA-N 1 0 305.407 1.194 10 0 DDAERO CCc1nn(C)c(C[C@@H]([NH2+]C)[C@H](C)OC)c1Br ZINC000093690197 193289584 /nfs/dbraw/zinc/28/95/84/193289584.db2.gz XIACIXRELGMXOV-WCBMZHEXSA-N 1 0 304.232 1.910 10 0 DDAERO CS(=O)(=O)N1CCC[C@@H](C[NH2+]CCc2cccs2)C1 ZINC000093696172 193292177 /nfs/dbraw/zinc/29/21/77/193292177.db2.gz STQZGAOUUTYMMW-LBPRGKRZSA-N 1 0 302.465 1.552 10 0 DDAERO C[N@@H+](Cc1ccccc1N)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697689 193292749 /nfs/dbraw/zinc/29/27/49/193292749.db2.gz ADNDYIKFMKZXCA-ZDUSSCGKSA-N 1 0 311.451 1.372 10 0 DDAERO Fc1cc2nc(CN3CC[NH2+]CC3)[nH]c2cc1Br ZINC000093728823 193297715 /nfs/dbraw/zinc/29/77/15/193297715.db2.gz OLJONLLYDZTYFD-UHFFFAOYSA-N 1 0 313.174 1.870 10 0 DDAERO CCCN[C@@]1(C(=O)OCC)CCC[C@H]([N@H+](C)CCOC)C1 ZINC000093752442 193300485 /nfs/dbraw/zinc/30/04/85/193300485.db2.gz WMQZKBCPGPARKV-HOCLYGCPSA-N 1 0 300.443 1.809 10 0 DDAERO COC(=O)[C@]1([NH3+])CCC[C@H](n2cc(Br)cn2)C1 ZINC000093758787 193301491 /nfs/dbraw/zinc/30/14/91/193301491.db2.gz LNVTVQCCUNDQLG-ONGXEEELSA-N 1 0 302.172 1.631 10 0 DDAERO Cc1nnc(S[C@H]2CCC[C@@]([NH2+]C3CC3)(C(N)=O)C2)s1 ZINC000093778383 193305858 /nfs/dbraw/zinc/30/58/58/193305858.db2.gz DDEZLHTWVHPOHP-GWCFXTLKSA-N 1 0 312.464 1.857 10 0 DDAERO Cc1cccc(N(CCC[NH3+])S(=O)(=O)CCOC(C)C)c1 ZINC000093664681 193286585 /nfs/dbraw/zinc/28/65/85/193286585.db2.gz RRNAIYQIPRFKKP-UHFFFAOYSA-N 1 0 314.451 1.905 10 0 DDAERO CC(C)OCCS(=O)(=O)N(C)Cc1cccc(C(N)=[NH2+])c1 ZINC000093667859 193287314 /nfs/dbraw/zinc/28/73/14/193287314.db2.gz VUUHFPDWIGJCLM-UHFFFAOYSA-N 1 0 313.423 1.157 10 0 DDAERO CC(C)OCCS(=O)(=O)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000093666797 193287384 /nfs/dbraw/zinc/28/73/84/193287384.db2.gz SUDYMILWQBYTCH-CQSZACIVSA-N 1 0 318.483 1.786 10 0 DDAERO CC(C)OCCS(=O)(=O)N1CCC[C@@H](C[NH2+]C(C)(C)C)C1 ZINC000093667737 193287525 /nfs/dbraw/zinc/28/75/25/193287525.db2.gz BMYGIDAXICNCMW-AWEZNQCLSA-N 1 0 320.499 1.841 10 0 DDAERO CCN(CC(C)(C)C[NH3+])S(=O)(=O)c1cc(F)ccc1F ZINC000093878207 193321868 /nfs/dbraw/zinc/32/18/68/193321868.db2.gz WIASZAGIRHBOGM-UHFFFAOYSA-N 1 0 306.378 1.960 10 0 DDAERO CCCN(CC(C)(C)C[NH3+])S(=O)(=O)c1cn(CC)cn1 ZINC000093890948 193323663 /nfs/dbraw/zinc/32/36/63/193323663.db2.gz LTKQGWTXWNITMM-UHFFFAOYSA-N 1 0 302.444 1.289 10 0 DDAERO CCN1CCO[C@@H](c2noc(-c3sc(C[NH3+])nc3C)n2)C1 ZINC000093897123 193324945 /nfs/dbraw/zinc/32/49/45/193324945.db2.gz SOEVOWSAVSKUMM-SECBINFHSA-N 1 0 309.395 1.353 10 0 DDAERO CN(CCS(C)(=O)=O)[C@@H](C[NH3+])c1ccccc1C(F)(F)F ZINC000094297648 193356809 /nfs/dbraw/zinc/35/68/09/193356809.db2.gz UGGQUYNNWDKYAL-LBPRGKRZSA-N 1 0 324.368 1.682 10 0 DDAERO CC[NH2+][C@@H]1[C@@H](CN(C)CCS(C)(=O)=O)CCCC1(C)C ZINC000094300587 193358575 /nfs/dbraw/zinc/35/85/75/193358575.db2.gz VPYRACAHEJAVCX-ZIAGYGMSSA-N 1 0 304.500 1.767 10 0 DDAERO Cc1c(OCC[NH+]2CCCCC2)cc(N)cc1S(N)(=O)=O ZINC000094361120 193365674 /nfs/dbraw/zinc/36/56/74/193365674.db2.gz SOHKDPZQAYVNKW-UHFFFAOYSA-N 1 0 313.423 1.089 10 0 DDAERO CCN1CCO[C@@H](COc2c(F)cc(C[NH2+]C)cc2F)C1 ZINC000094346734 193363286 /nfs/dbraw/zinc/36/32/86/193363286.db2.gz JTCMYSUTIQCOIA-GFCCVEGCSA-N 1 0 300.349 1.784 10 0 DDAERO Cc1cc(N)c(C)c(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000094358692 193364245 /nfs/dbraw/zinc/36/42/45/193364245.db2.gz UVVWEFUHEWWMTH-CYBMUJFWSA-N 1 0 311.451 1.600 10 0 DDAERO CC(C)N(CC1CC[NH2+]CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000094044081 193341107 /nfs/dbraw/zinc/34/11/07/193341107.db2.gz GBAKPOYVZSJZNX-UHFFFAOYSA-N 1 0 311.451 1.548 10 0 DDAERO Cc1cc(NC(=O)[C@H]2COC[C@H]2[NH3+])ncc1Br ZINC000094063572 193342259 /nfs/dbraw/zinc/34/22/59/193342259.db2.gz GQMWQGYHWURGEQ-IONNQARKSA-N 1 0 300.156 1.065 10 0 DDAERO [NH3+]CCCOC1CCN(S(=O)(=O)C2CCCCC2)CC1 ZINC000094071737 193343381 /nfs/dbraw/zinc/34/33/81/193343381.db2.gz HCOWGDNMPTWBCV-UHFFFAOYSA-N 1 0 304.456 1.479 10 0 DDAERO CS(=O)(=O)[C@@H]1CCC[C@H]([NH+]2CCC(C(N)=S)CC2)C1 ZINC000094636670 193386858 /nfs/dbraw/zinc/38/68/58/193386858.db2.gz QPLMNKXYPYDJBX-NWDGAFQWSA-N 1 0 304.481 1.340 10 0 DDAERO CS(=O)(=O)[C@@H]1CCC[C@H]([N@@H+]2CCCC[C@@H]2C(N)=S)C1 ZINC000094636662 193386880 /nfs/dbraw/zinc/38/68/80/193386880.db2.gz GLDTYNINNUGSRM-QJPTWQEYSA-N 1 0 304.481 1.483 10 0 DDAERO CCOC(OCC)[C@H]([NH2+]C)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094643049 193389122 /nfs/dbraw/zinc/38/91/22/193389122.db2.gz OCEIISSFMWUNGS-RWMBFGLXSA-N 1 0 307.456 1.577 10 0 DDAERO COCC[NH2+]C[C@@](C)(O)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094418986 193368742 /nfs/dbraw/zinc/36/87/42/193368742.db2.gz OKMNEOFRZDMMKE-ZIAGYGMSSA-N 1 0 303.468 1.666 10 0 DDAERO Nc1nc(CN2CC[N@@H+]3CCCC[C@@H]3C2)nc2sccc21 ZINC000094442148 193369754 /nfs/dbraw/zinc/36/97/54/193369754.db2.gz QXHBQKQVJJKMHV-LLVKDONJSA-N 1 0 303.435 1.944 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)s1 ZINC000094441203 193370184 /nfs/dbraw/zinc/37/01/84/193370184.db2.gz OIZOPIXJBJTUJF-LLVKDONJSA-N 1 0 315.464 1.066 10 0 DDAERO Nc1ccc(Cl)c(NC(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000094457296 193370616 /nfs/dbraw/zinc/37/06/16/193370616.db2.gz KQNMUCSPPJOOGJ-GFCCVEGCSA-N 1 0 308.813 1.641 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(N)cccc1F ZINC000094457234 193371566 /nfs/dbraw/zinc/37/15/66/193371566.db2.gz ZJAPFBZIKCDXQN-GHMZBOCLSA-N 1 0 313.398 1.265 10 0 DDAERO CCOC(=O)C[C@]1([NH+]2CCN(C)CC2)CCCS[C@@H]1C ZINC000094480998 193372891 /nfs/dbraw/zinc/37/28/91/193372891.db2.gz ITTIVUAMHPYVDL-UKRRQHHQSA-N 1 0 300.468 1.841 10 0 DDAERO [NH3+][C@H](Cc1cccc(Br)c1)[C@H]1CN2CCN1CC2 ZINC000094508191 193376177 /nfs/dbraw/zinc/37/61/77/193376177.db2.gz GBGNROHECRVNHT-ZIAGYGMSSA-N 1 0 310.239 1.319 10 0 DDAERO [NH3+][C@H](Cc1ccc(Br)cc1)[C@@H]1CN2CCN1CC2 ZINC000094508361 193376180 /nfs/dbraw/zinc/37/61/80/193376180.db2.gz BYRXITAMPNIAJR-KGLIPLIRSA-N 1 0 310.239 1.319 10 0 DDAERO Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1ccc(C[NH3+])o1 ZINC000094566124 193380654 /nfs/dbraw/zinc/38/06/54/193380654.db2.gz XZCOKTWLIPYEST-UHFFFAOYSA-N 1 0 308.359 1.703 10 0 DDAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)Nc2cc(Br)ccc2O)O1 ZINC000094573579 193381618 /nfs/dbraw/zinc/38/16/18/193381618.db2.gz PLLUWFMABSCEQH-KWQFWETISA-N 1 0 315.167 1.600 10 0 DDAERO C[NH+](C)CCCNC(=O)c1cccc(C(F)(F)F)c1NN ZINC000094599431 193382925 /nfs/dbraw/zinc/38/29/25/193382925.db2.gz XLRAQICUWXUAHF-UHFFFAOYSA-N 1 0 304.316 1.673 10 0 DDAERO Cc1cc(CNS(=O)(=O)CC2CC[NH2+]CC2)cc(C)c1F ZINC000094895185 193405564 /nfs/dbraw/zinc/40/55/64/193405564.db2.gz ZBTKQAFGIRJNPG-UHFFFAOYSA-N 1 0 314.426 1.862 10 0 DDAERO CCC[NH2+]C[C@H](Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000094976309 193410425 /nfs/dbraw/zinc/41/04/25/193410425.db2.gz CHJFBSFKVSXXFM-NEPJUHHUSA-N 1 0 302.465 1.736 10 0 DDAERO Cc1cc(F)c(N)cc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000094779674 193397492 /nfs/dbraw/zinc/39/74/92/193397492.db2.gz OAWJRVSYQKMAGG-SNVBAGLBSA-N 1 0 301.387 1.041 10 0 DDAERO Cc1cc(C)cc(N2C[C@H](C(=O)NCCC[NH+](C)C)CC2=O)c1 ZINC000020373249 182212295 /nfs/dbraw/zinc/21/22/95/182212295.db2.gz SSDKECYFSFIXKD-OAHLLOKOSA-N 1 0 317.433 1.724 10 0 DDAERO COc1ccc(CNS(=O)(=O)c2ccccc2C[NH3+])cc1 ZINC000021813859 182292896 /nfs/dbraw/zinc/29/28/96/182292896.db2.gz APJNDTZTZKVJHU-UHFFFAOYSA-N 1 0 306.387 1.632 10 0 DDAERO C[C@@H]1C[C@@H]([NH3+])CN(S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000097896761 193765532 /nfs/dbraw/zinc/76/55/32/193765532.db2.gz YHNJNUPCWQGQTN-PSASIEDQSA-N 1 0 306.790 1.837 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(F)c2C)C1 ZINC000175103956 248392500 /nfs/dbraw/zinc/39/25/00/248392500.db2.gz VASNFIITNWMSEM-GFCCVEGCSA-N 1 0 307.369 1.673 10 0 DDAERO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Br)c(N)c2)C1 ZINC000040305622 183052690 /nfs/dbraw/zinc/05/26/90/183052690.db2.gz LYVFJNJJHCCLRJ-VIFPVBQESA-N 1 0 312.211 1.713 10 0 DDAERO COc1nccnc1C[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000333600071 249036627 /nfs/dbraw/zinc/03/66/27/249036627.db2.gz VANJRGWRLHSYMA-ZDUSSCGKSA-N 1 0 301.394 1.673 10 0 DDAERO COc1ccc2nc(NC(=O)[C@H]3C[C@@H](OC)C[NH2+]3)sc2c1 ZINC000040630344 183111378 /nfs/dbraw/zinc/11/13/78/183111378.db2.gz WZBNJTXMLDJEJA-MWLCHTKSSA-N 1 0 307.375 1.620 10 0 DDAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000040630246 183110610 /nfs/dbraw/zinc/11/06/10/183110610.db2.gz MGLGHYCXHUQTSZ-GHMZBOCLSA-N 1 0 304.268 1.901 10 0 DDAERO COC(=O)[C@@H](c1ccc(Br)s1)N1CC[NH2+]CC1 ZINC000041702555 183217944 /nfs/dbraw/zinc/21/79/44/183217944.db2.gz LYIMCQQLZIBQHB-SNVBAGLBSA-N 1 0 319.224 1.630 10 0 DDAERO OC[C@H](c1ccc(Br)s1)N1CCC[NH2+]CC1 ZINC000041703028 183218256 /nfs/dbraw/zinc/21/82/56/183218256.db2.gz XVRWPDMCWFDDDD-SECBINFHSA-N 1 0 305.241 1.839 10 0 DDAERO C[NH2+][C@@H](C)c1cccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000041710139 183218571 /nfs/dbraw/zinc/21/85/71/183218571.db2.gz HMRQBXXQWKUGBO-GWCFXTLKSA-N 1 0 311.407 1.276 10 0 DDAERO C[NH2+][C@H](C)c1ccc(NC(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000041716487 183218679 /nfs/dbraw/zinc/21/86/79/183218679.db2.gz NSMLGXYBUAQNNX-LLVKDONJSA-N 1 0 311.407 1.229 10 0 DDAERO CCCNC(=O)COc1c(Br)cccc1CC[NH3+] ZINC000042412662 183265899 /nfs/dbraw/zinc/26/58/99/183265899.db2.gz OLOYLFZQXNAJLC-UHFFFAOYSA-N 1 0 315.211 1.855 10 0 DDAERO C[NH2+]Cc1cccc(Br)c1OC[C@@H]1CNC(=O)O1 ZINC000042411569 183266111 /nfs/dbraw/zinc/26/61/11/183266111.db2.gz RAWQOENXSMDLRU-VIFPVBQESA-N 1 0 315.167 1.656 10 0 DDAERO CC(C)[N@H+](CCO)CCC(=O)Nc1ccccc1C(N)=S ZINC000042479423 183275403 /nfs/dbraw/zinc/27/54/03/183275403.db2.gz UFTAGAZYBXZDGR-UHFFFAOYSA-N 1 0 309.435 1.352 10 0 DDAERO CCC(CC)N(CCO)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000042526437 183280369 /nfs/dbraw/zinc/28/03/69/183280369.db2.gz ZYZRYLSLGKMDLL-ZDUSSCGKSA-N 1 0 306.472 1.331 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N(CCOC)CC(C)C)cc1 ZINC000042370901 183259619 /nfs/dbraw/zinc/25/96/19/183259619.db2.gz KSEHCNMEKGMQMD-UHFFFAOYSA-N 1 0 314.451 1.699 10 0 DDAERO COCCN(CC(C)C)S(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000042370882 183259720 /nfs/dbraw/zinc/25/97/20/183259720.db2.gz NHXKYBZQLRUOOD-CYBMUJFWSA-N 1 0 314.451 1.999 10 0 DDAERO CCN([C@@H](C)COC)S(=O)(=O)Cc1ccccc1C[NH3+] ZINC000042768472 183307259 /nfs/dbraw/zinc/30/72/59/183307259.db2.gz ORKNLRJVPSTUTO-LBPRGKRZSA-N 1 0 300.424 1.332 10 0 DDAERO C[C@@H]1c2ccsc2CCN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000042782415 183308970 /nfs/dbraw/zinc/30/89/70/183308970.db2.gz ZSQKQJAJJHCRPW-LLVKDONJSA-N 1 0 314.476 1.997 10 0 DDAERO C[C@H]([NH3+])[C@H](c1cnn(C)c1)N1CCN(c2nccs2)CC1 ZINC000043126713 183338847 /nfs/dbraw/zinc/33/88/47/183338847.db2.gz AZBMMBFFIIEXIE-WCQYABFASA-N 1 0 306.439 1.087 10 0 DDAERO COc1cc([C@@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000043299802 183351446 /nfs/dbraw/zinc/35/14/46/183351446.db2.gz GETIMJMFVFKFHC-RNCFNFMXSA-N 1 0 315.391 1.147 10 0 DDAERO CC[NH2+][C@H](c1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000043301031 183352716 /nfs/dbraw/zinc/35/27/16/183352716.db2.gz ADUAFKAAIJGMAG-SWLSCSKDSA-N 1 0 311.403 1.543 10 0 DDAERO O=C(CSc1ncnc2ccccc21)N1CCC[NH2+]CC1 ZINC000043403172 183358835 /nfs/dbraw/zinc/35/88/35/183358835.db2.gz BHLAEBVVTSDRKV-UHFFFAOYSA-N 1 0 302.403 1.544 10 0 DDAERO C[NH+]1CCN(CCNc2ccc(N)cc2Br)CC1 ZINC000043597082 183375288 /nfs/dbraw/zinc/37/52/88/183375288.db2.gz PBPXEOORPDCGPS-UHFFFAOYSA-N 1 0 313.243 1.691 10 0 DDAERO CCOc1ccc(N)cc1S(=O)(=O)NCC(C)(C)[NH+](C)C ZINC000043412244 183361203 /nfs/dbraw/zinc/36/12/03/183361203.db2.gz NHKLECKNABCMJL-UHFFFAOYSA-N 1 0 315.439 1.286 10 0 DDAERO [NH3+]Cc1cccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000043426938 183361728 /nfs/dbraw/zinc/36/17/28/183361728.db2.gz ZOFSMKZMNXAMHJ-GJZGRUSLSA-N 1 0 310.419 1.477 10 0 DDAERO C[NH2+][C@H]1CCC2(C[C@H]1N(CCOC)CC(C)C)OCCO2 ZINC000043970287 183391577 /nfs/dbraw/zinc/39/15/77/183391577.db2.gz UNPBOMMBYLOMJF-LSDHHAIUSA-N 1 0 300.443 1.474 10 0 DDAERO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1c(N)cccc1F ZINC000045147502 183484593 /nfs/dbraw/zinc/48/45/93/183484593.db2.gz YQCDSRWSWPFROW-UHFFFAOYSA-N 1 0 303.403 1.274 10 0 DDAERO COCc1cccc(CC(=O)N(C)C[C@@H]2C[C@H](OC)C[N@@H+]2C)c1 ZINC000284567418 218082469 /nfs/dbraw/zinc/08/24/69/218082469.db2.gz HNASBKOELQKFNQ-IRXDYDNUSA-N 1 0 320.433 1.553 10 0 DDAERO O=C1C[C@H]([NH2+]CCc2ccncc2)C(=O)N1c1cccc(F)c1 ZINC000105121455 194076727 /nfs/dbraw/zinc/07/67/27/194076727.db2.gz BLBSYBUYXNCHIF-HNNXBMFYSA-N 1 0 313.332 1.685 10 0 DDAERO CCOC(=O)CCCN1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105820611 194136328 /nfs/dbraw/zinc/13/63/28/194136328.db2.gz VDVORTHZWGKQJG-KRWDZBQOSA-N 1 0 320.433 1.681 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(CC(=O)N(C)C2CCCCC2)C[C@@H]1C ZINC000105822760 194138651 /nfs/dbraw/zinc/13/86/51/194138651.db2.gz KYKZVSFOHCHXDB-LSDHHAIUSA-N 1 0 311.470 1.164 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000105824546 194138823 /nfs/dbraw/zinc/13/88/23/194138823.db2.gz ZVCVAMWEOJOCTE-UONOGXRCSA-N 1 0 306.406 1.345 10 0 DDAERO CC[C@@H]1CN(CC(=O)N(C)c2ccccc2)CC[N@@H+]1CCOC ZINC000105836029 194143302 /nfs/dbraw/zinc/14/33/02/194143302.db2.gz PXPNPBIFGHNHKE-MRXNPFEDSA-N 1 0 319.449 1.692 10 0 DDAERO CC[C@@H]1CN(Cc2nnc(C(C)C)n2C)CC[N@@H+]1CCOC ZINC000105837353 194143763 /nfs/dbraw/zinc/14/37/63/194143763.db2.gz QYFQCAKRDXPSAU-CQSZACIVSA-N 1 0 309.458 1.481 10 0 DDAERO FC(F)(F)COCCC[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000105890667 194159057 /nfs/dbraw/zinc/15/90/57/194159057.db2.gz GPDVOIHQZNYUPD-GFCCVEGCSA-N 1 0 307.316 1.553 10 0 DDAERO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105910090 194166415 /nfs/dbraw/zinc/16/64/15/194166415.db2.gz RJKLFDSICZXRJZ-AWEZNQCLSA-N 1 0 317.437 1.754 10 0 DDAERO CCOCC[N@@H+]1CCN(C[C@H](O)COC(C)C)C[C@@H]1CC ZINC000105903146 194167246 /nfs/dbraw/zinc/16/72/46/194167246.db2.gz ZAFQTCCCVZBYMC-HOTGVXAUSA-N 1 0 302.459 1.205 10 0 DDAERO C[NH+](C)C[C@H]1CN(C[C@H](O)c2c(F)cccc2F)CCO1 ZINC000105904479 194167471 /nfs/dbraw/zinc/16/74/71/194167471.db2.gz MKDJGZFMGVHSSK-FZMZJTMJSA-N 1 0 300.349 1.261 10 0 DDAERO CC[C@H]1CN(Cc2ccc3c(c2)OCCO3)CC[N@@H+]1C[C@@H](C)O ZINC000106101328 194185707 /nfs/dbraw/zinc/18/57/07/194185707.db2.gz CDBIQEIFADQBSA-ZBFHGGJFSA-N 1 0 320.433 1.735 10 0 DDAERO CN(Cc1cccc(Cl)c1)S(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000049644574 183750983 /nfs/dbraw/zinc/75/09/83/183750983.db2.gz UGMZZQHXNCCUQF-ZDUSSCGKSA-N 1 0 302.827 1.854 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN(C(=O)OCC(C)C)CC1 ZINC000109466592 194266531 /nfs/dbraw/zinc/26/65/31/194266531.db2.gz KILSRVAVOPHIIS-GFCCVEGCSA-N 1 0 301.456 1.851 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN(C(=O)Cc2cccs2)CC1 ZINC000109461592 194265492 /nfs/dbraw/zinc/26/54/92/194265492.db2.gz QLWAFYMSBQRRCM-GFCCVEGCSA-N 1 0 311.476 1.500 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC000109464630 194265933 /nfs/dbraw/zinc/26/59/33/194265933.db2.gz GHXXVLMKURLOHQ-CHWSQXEVSA-N 1 0 313.467 1.155 10 0 DDAERO Clc1ccc(OCc2nc(CN3CC[NH2+]CC3)no2)cc1 ZINC000109473180 194267532 /nfs/dbraw/zinc/26/75/32/194267532.db2.gz LEOVZLDEIRUURQ-UHFFFAOYSA-N 1 0 308.769 1.707 10 0 DDAERO O=S1(=O)CC[C@@H]([NH2+]CCO[C@@H]2CCCc3ccccc32)C1 ZINC000053559030 183906524 /nfs/dbraw/zinc/90/65/24/183906524.db2.gz UNMCNNONXNNQEB-GDBMZVCRSA-N 1 0 309.431 1.857 10 0 DDAERO O=S(=O)(NCC[C@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1F ZINC000110792312 194359294 /nfs/dbraw/zinc/35/92/94/194359294.db2.gz UASFVCAJVCRYKB-SECBINFHSA-N 1 0 322.352 1.772 10 0 DDAERO COCC[NH2+]C[C@H](CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000054639547 183947131 /nfs/dbraw/zinc/94/71/31/183947131.db2.gz OCRMBBNBSUBKHN-UONOGXRCSA-N 1 0 307.456 1.088 10 0 DDAERO Cc1nc(Cl)sc1S(=O)(=O)N(C)CCC[NH+](C)C ZINC000111136835 194394750 /nfs/dbraw/zinc/39/47/50/194394750.db2.gz CVNFWDKJMLFQAQ-UHFFFAOYSA-N 1 0 311.860 1.677 10 0 DDAERO Brc1cnc2[nH]c(CN3CCC[NH2+]CC3)nc2c1 ZINC000061145554 184163279 /nfs/dbraw/zinc/16/32/79/184163279.db2.gz HLMVJKRRQJOQJP-UHFFFAOYSA-N 1 0 310.199 1.516 10 0 DDAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000061232587 184166554 /nfs/dbraw/zinc/16/65/54/184166554.db2.gz ZYHTXMPENWEMNZ-SECBINFHSA-N 1 0 302.371 1.413 10 0 DDAERO CCNS(=O)(=O)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC ZINC000061270808 184167408 /nfs/dbraw/zinc/16/74/08/184167408.db2.gz PCRPTTKBXQXJJU-LLVKDONJSA-N 1 0 313.423 1.311 10 0 DDAERO CCN(CC)c1nc(Cl)nc(N[C@@H]2C[NH+]3CCC2CC3)n1 ZINC000061536720 184172619 /nfs/dbraw/zinc/17/26/19/184172619.db2.gz KQVRVOXIUJISHS-LLVKDONJSA-N 1 0 310.833 1.877 10 0 DDAERO CCCN(CC[NH+](C)C)c1nc(Cl)nc(N2CCCC2)n1 ZINC000061541620 184174063 /nfs/dbraw/zinc/17/40/63/184174063.db2.gz UDFPQVQQBAVYDT-UHFFFAOYSA-N 1 0 312.849 1.903 10 0 DDAERO CC(C)[NH+]1CCN(C(=O)[C@H](C(N)=S)c2ccccc2)CC1 ZINC000061616187 184178581 /nfs/dbraw/zinc/17/85/81/184178581.db2.gz VJMPQNKQNJTNJA-AWEZNQCLSA-N 1 0 305.447 1.609 10 0 DDAERO O=S(=O)(NCc1ccccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000061627354 184179271 /nfs/dbraw/zinc/17/92/71/184179271.db2.gz WCTLBYWEIFXPTK-UHFFFAOYSA-N 1 0 322.352 1.877 10 0 DDAERO CCC[NH2+][C@@H]1CCOC[C@@H]1N1CCN(CC(F)(F)F)CC1 ZINC000061941301 184197577 /nfs/dbraw/zinc/19/75/77/184197577.db2.gz RNPZTVCYVYKEKU-OLZOCXBDSA-N 1 0 309.376 1.323 10 0 DDAERO Cc1ccc(CNS(=O)(=O)c2ccc([C@H](C)[NH3+])cc2)cn1 ZINC000062037813 184202903 /nfs/dbraw/zinc/20/29/03/184202903.db2.gz UJJJJLYTBJRDRQ-LBPRGKRZSA-N 1 0 305.403 1.888 10 0 DDAERO [NH3+]C[C@@H](c1ccc(Br)s1)N1CCNC(=O)CC1 ZINC000062099452 184205923 /nfs/dbraw/zinc/20/59/23/184205923.db2.gz GXJYGNBGVAOJOA-QMMMGPOBSA-N 1 0 318.240 1.332 10 0 DDAERO Cc1ccc(C(=O)N2CCN(C(=O)CC[NH+](C)C)CC2)cc1C ZINC000062127063 184207339 /nfs/dbraw/zinc/20/73/39/184207339.db2.gz ZSENTUBUKXKTDF-UHFFFAOYSA-N 1 0 317.433 1.540 10 0 DDAERO CN([C@@H](C[NH3+])c1cc(F)c(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000062710148 184248829 /nfs/dbraw/zinc/24/88/29/184248829.db2.gz IPJMXSDUIFJGLD-SKDRFNHKSA-N 1 0 322.352 1.223 10 0 DDAERO COCC[NH2+]Cc1cc(Br)ccc1OC[C@@H](C)O ZINC000062730110 184251254 /nfs/dbraw/zinc/25/12/54/184251254.db2.gz HJBKPQLTMWFVHI-SNVBAGLBSA-N 1 0 318.211 1.945 10 0 DDAERO CCNC(=O)[C@H](C)Oc1ccc(C[NH2+]CCOC)cc1Cl ZINC000062730487 184251486 /nfs/dbraw/zinc/25/14/86/184251486.db2.gz RFMPVYRNWRYXEC-NSHDSACASA-N 1 0 314.813 1.979 10 0 DDAERO COC(=O)C[C@H](NC(=O)[C@]1(C)CCC[NH2+]C1)c1cccs1 ZINC000062855545 184256511 /nfs/dbraw/zinc/25/65/11/184256511.db2.gz CQZSSWQPINLNMJ-XHDPSFHLSA-N 1 0 310.419 1.858 10 0 DDAERO CCC[C@@]1(C(=O)N2CCN(CC(F)(F)F)CC2)CC[NH2+]C1 ZINC000062900296 184259076 /nfs/dbraw/zinc/25/90/76/184259076.db2.gz YJKATULZAXBMDD-CYBMUJFWSA-N 1 0 307.360 1.473 10 0 DDAERO CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000063212216 184278462 /nfs/dbraw/zinc/27/84/62/184278462.db2.gz OHXNUEXIWVWBSQ-KBPBESRZSA-N 1 0 310.419 1.480 10 0 DDAERO CC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000063213995 184279015 /nfs/dbraw/zinc/27/90/15/184279015.db2.gz YROPZMJBHNKQBZ-HUUCEWRRSA-N 1 0 310.419 1.828 10 0 DDAERO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(C)c(N)c2)C1 ZINC000062975664 184263494 /nfs/dbraw/zinc/26/34/94/184263494.db2.gz MCHUEZPKFPRSTM-ZDUSSCGKSA-N 1 0 311.451 1.682 10 0 DDAERO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cnc(Cl)nc2)C1 ZINC000062970761 184263690 /nfs/dbraw/zinc/26/36/90/184263690.db2.gz FHYGQDFZJKPSHZ-SNVBAGLBSA-N 1 0 318.830 1.235 10 0 DDAERO CCc1ccc([C@@H](C[NH3+])N2CC[C@H](N3CCOCC3)C2)s1 ZINC000062978692 184263999 /nfs/dbraw/zinc/26/39/99/184263999.db2.gz BBLNQCLECQYHGW-DZGCQCFKSA-N 1 0 309.479 1.717 10 0 DDAERO NC(=S)c1ccccc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062980164 184264025 /nfs/dbraw/zinc/26/40/25/184264025.db2.gz FWFHMXJNEHBLCA-AWEZNQCLSA-N 1 0 305.447 1.227 10 0 DDAERO C[C@@H]([NH3+])CCNS(=O)(=O)c1ccc(Br)s1 ZINC000063171213 184276127 /nfs/dbraw/zinc/27/61/27/184276127.db2.gz VQBNPTKBACJONO-ZCFIWIBFSA-N 1 0 313.242 1.526 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1c(C)oc2nc[nH]c(=O)c21 ZINC000063737668 184287412 /nfs/dbraw/zinc/28/74/12/184287412.db2.gz ZYKZZQQBTCHNGL-VIFPVBQESA-N 1 0 306.366 1.285 10 0 DDAERO Cc1nccnc1-c1cccc(C2(c3nn[nH]n3)CC[NH2+]CC2)c1 ZINC000063772366 184288485 /nfs/dbraw/zinc/28/84/85/184288485.db2.gz LEUPZASAMMQFAO-UHFFFAOYSA-N 1 0 321.388 1.635 10 0 DDAERO O[C@H]1CCN(c2ccnc(NCCC34CCC[NH+]3CCC4)n2)C1 ZINC000065422356 184341770 /nfs/dbraw/zinc/34/17/70/184341770.db2.gz JZTYTLNFQMTKIG-AWEZNQCLSA-N 1 0 317.437 1.478 10 0 DDAERO Cn1cc(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)ccc1=O ZINC000065494396 184354813 /nfs/dbraw/zinc/35/48/13/184354813.db2.gz GVJFOIIOUMVOAO-UHFFFAOYSA-N 1 0 318.421 1.725 10 0 DDAERO CC[C@@H](C)[NH2+]CC(=O)Nc1ccc(C(=O)NCCOC)cc1 ZINC000066068166 184386318 /nfs/dbraw/zinc/38/63/18/184386318.db2.gz LWHZLIYUFRJGKS-GFCCVEGCSA-N 1 0 307.394 1.389 10 0 DDAERO CC[NH2+][C@@H](C)C[C@H](C)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000068655400 184496393 /nfs/dbraw/zinc/49/63/93/184496393.db2.gz UZJFVQMZBGKGIK-UWVGGRQHSA-N 1 0 305.348 1.889 10 0 DDAERO C[C@@H](C[C@@](C)([NH3+])C(N)=O)Oc1c(F)c(F)c(F)c(F)c1F ZINC000068657834 184496678 /nfs/dbraw/zinc/49/66/78/184496678.db2.gz AWKBKTYMDXPPPQ-DILCMSKXSA-N 1 0 312.238 1.742 10 0 DDAERO C[C@@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)c1ccc(F)c(F)c1 ZINC000119860666 195051255 /nfs/dbraw/zinc/05/12/55/195051255.db2.gz PFQWCUSJZFAETB-MEBBXXQBSA-N 1 0 315.364 1.638 10 0 DDAERO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1CCCc2ccccc21 ZINC000119975719 195073055 /nfs/dbraw/zinc/07/30/55/195073055.db2.gz 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285236471 /nfs/dbraw/zinc/23/64/71/285236471.db2.gz HOOHKJRXLLKFJM-GDBMZVCRSA-N 1 0 309.454 1.576 10 0 DDAERO C[NH2+]CCN(C)C(=O)[C@@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000120544360 195187200 /nfs/dbraw/zinc/18/72/00/195187200.db2.gz FEWVKWNIWRJSBE-HNNXBMFYSA-N 1 0 305.422 1.427 10 0 DDAERO COCC[N@@H+]1CCN(Cc2c[nH]nc2-c2cccnc2)C[C@@H]1C ZINC000120842138 195249014 /nfs/dbraw/zinc/24/90/14/195249014.db2.gz YMWUVDSNBFNBCZ-AWEZNQCLSA-N 1 0 315.421 1.624 10 0 DDAERO Cn1cccc1C(=O)N1CC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCOCC1 ZINC000248125703 257108578 /nfs/dbraw/zinc/10/85/78/257108578.db2.gz LPTCUMUCFIJVPH-CVEARBPZSA-N 1 0 317.433 1.741 10 0 DDAERO CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3ccccc3)C[C@H]2[N@@H+]1C(C)C ZINC000248036486 257110686 /nfs/dbraw/zinc/11/06/86/257110686.db2.gz ZKBSAPAWQBSKJM-HRCADAONSA-N 1 0 315.417 1.356 10 0 DDAERO Cc1ncc(C[N@H+]2CC[C@@]3(CCC[C@H]3C(=O)N(C)C)C2)cn1 ZINC000248064666 257110732 /nfs/dbraw/zinc/11/07/32/257110732.db2.gz ZNIVHRUYFIWMGG-RDJZCZTQSA-N 1 0 302.422 1.865 10 0 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C[C@@H](C(=O)NC[C@H](c1ccccc1)N1CCOCC1)C1C[NH2+]C1 ZINC000262433272 286776795 /nfs/dbraw/zinc/77/67/95/286776795.db2.gz UAURGXPQAQVYAL-RHSMWYFYSA-N 1 0 317.433 1.032 10 0 DDAERO C[C@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)[C@H]1CCCO1 ZINC000037889985 406995041 /nfs/dbraw/zinc/99/50/41/406995041.db2.gz HEIWSMPPDQSMGG-TUKIKUTGSA-N 1 0 313.419 1.281 10 0 DDAERO CCc1nc2n(n1)CCC[C@H]2NC(=O)NCC[N@@H+](CC)C1CC1 ZINC000087087284 407117343 /nfs/dbraw/zinc/11/73/43/407117343.db2.gz IACMCMGBWLFOEQ-CYBMUJFWSA-N 1 0 320.441 1.459 10 0 DDAERO CC[C@@H](C)NC(=O)CCNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000079620629 407059359 /nfs/dbraw/zinc/05/93/59/407059359.db2.gz LFXQPRUVOAEITD-ZIAGYGMSSA-N 1 0 314.474 1.567 10 0 DDAERO C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCC[NH+]1CCCC1 ZINC000053283884 407166738 /nfs/dbraw/zinc/16/67/38/407166738.db2.gz ZGFZJTIGFQDNGC-CYBMUJFWSA-N 1 0 304.394 1.409 10 0 DDAERO CS(=O)(=O)Nc1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000054307281 407182197 /nfs/dbraw/zinc/18/21/97/407182197.db2.gz 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407334066 /nfs/dbraw/zinc/33/40/66/407334066.db2.gz OYEBQFXJLKVHNF-GFCCVEGCSA-N 1 0 302.340 1.992 10 0 DDAERO CN(Cc1cnn(C)c1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106903510 407365549 /nfs/dbraw/zinc/36/55/49/407365549.db2.gz AJTCERLFFAWTHO-MRXNPFEDSA-N 1 0 300.406 1.551 10 0 DDAERO CCn1cnnc1C1CCN([C@@H](C)C(=O)NCCCOC)CC1 ZINC000105929085 407357832 /nfs/dbraw/zinc/35/78/32/407357832.db2.gz RJJIIVNZXGQGAF-ZDUSSCGKSA-N 1 0 323.441 1.019 10 0 DDAERO COC(=O)CN(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105915742 407357942 /nfs/dbraw/zinc/35/79/42/407357942.db2.gz CXGBWUZENVDGPO-QGZVFWFLSA-N 1 0 320.433 1.537 10 0 DDAERO CCc1ccc([C@H]2CCCCN2CCNS(C)(=O)=O)o1 ZINC000124823933 407370264 /nfs/dbraw/zinc/37/02/64/407370264.db2.gz XVRXPYLRJFYAPD-CYBMUJFWSA-N 1 0 300.424 1.918 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)Cc1ccccc1 ZINC000113228051 407476058 /nfs/dbraw/zinc/47/60/58/407476058.db2.gz QUPGOVXRWZVDCU-GOEBONIOSA-N 1 0 315.417 1.040 10 0 DDAERO 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TUIABVMXIFRANU-CQSZACIVSA-N 1 0 322.453 1.504 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)NCc2cccnc2-n2ccnc2)C1 ZINC000170829327 407521911 /nfs/dbraw/zinc/52/19/11/407521911.db2.gz ACVYLNSJYOGBCD-CQSZACIVSA-N 1 0 314.393 1.113 10 0 DDAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170858568 407531095 /nfs/dbraw/zinc/53/10/95/407531095.db2.gz ANFQABYIGZYOEF-HNNXBMFYSA-N 1 0 306.454 1.861 10 0 DDAERO Cc1nn(C(F)F)c(C)c1CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170854796 407531621 /nfs/dbraw/zinc/53/16/21/407531621.db2.gz HPULKIUMNAMFBT-LLVKDONJSA-N 1 0 300.353 1.600 10 0 DDAERO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000170873718 407540851 /nfs/dbraw/zinc/54/08/51/407540851.db2.gz MVGYRRXGJDLOBR-JTQLQIEISA-N 1 0 306.790 1.804 10 0 DDAERO Cc1nn(C)c(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1Br ZINC000261580018 407545354 /nfs/dbraw/zinc/54/53/54/407545354.db2.gz PWOWOQIJUXBUGY-GARJFASQSA-N 1 0 313.243 1.660 10 0 DDAERO CC[C@@H](C)NC(=O)[C@@H](C)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261785429 407612423 /nfs/dbraw/zinc/61/24/23/407612423.db2.gz PSISNEQLEFCVAE-SRABZTEZSA-N 1 0 303.450 1.964 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)CSC[C@@H]2CCCCO2)C1 ZINC000171189696 407619901 /nfs/dbraw/zinc/61/99/01/407619901.db2.gz IPZKMDHRYYKQIV-KGLIPLIRSA-N 1 0 300.468 1.889 10 0 DDAERO CSCCCCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000186245647 407620091 /nfs/dbraw/zinc/62/00/91/407620091.db2.gz LWUIHYRLSQOELH-QWHCGFSZSA-N 1 0 303.472 1.226 10 0 DDAERO [NH3+][C@@H]1CC[C@H](C(=O)NCc2nccn2CCc2ccccc2)C1 ZINC000178853383 407628315 /nfs/dbraw/zinc/62/83/15/407628315.db2.gz VMRCJCHVDFQTNF-JKSUJKDBSA-N 1 0 312.417 1.869 10 0 DDAERO [NH3+]C1(C(=O)N[C@@H]2CCSc3c(F)cccc32)CCOCC1 ZINC000261843637 407638000 /nfs/dbraw/zinc/63/80/00/407638000.db2.gz LUTULBGRJNIKBQ-GFCCVEGCSA-N 1 0 310.394 1.987 10 0 DDAERO Cc1ncc(CN2CCN(C(=O)C[C@H]3CCC[NH2+]3)CC2)s1 ZINC000178884008 407638593 /nfs/dbraw/zinc/63/85/93/407638593.db2.gz DAPOEQTYWWYOJQ-CYBMUJFWSA-N 1 0 308.451 1.238 10 0 DDAERO COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)C1([NH3+])CCOCC1 ZINC000261851632 407640689 /nfs/dbraw/zinc/64/06/89/407640689.db2.gz MKUUGTSIPRQEQD-GDBMZVCRSA-N 1 0 304.390 1.349 10 0 DDAERO O=C(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)N1CCCCCC1 ZINC000261867164 407647349 /nfs/dbraw/zinc/64/73/49/407647349.db2.gz CRRBXKGRRUFMHB-GVDBMIGSSA-N 1 0 323.481 1.526 10 0 DDAERO CSc1nc(C(=O)NC[C@@H]2CN(C)CCO2)c2ccccn21 ZINC000171286432 407648306 /nfs/dbraw/zinc/64/83/06/407648306.db2.gz VRYNFANVYRBVIQ-LLVKDONJSA-N 1 0 320.418 1.117 10 0 DDAERO CCc1c(C(=O)NC[C@H]2CN(C)CCO2)[nH]c(C)c1C(C)=O ZINC000171287195 407648756 /nfs/dbraw/zinc/64/87/56/407648756.db2.gz VIQFMCWYXKGPJC-LBPRGKRZSA-N 1 0 307.394 1.149 10 0 DDAERO CN(C)C(=O)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CCCC1 ZINC000261883943 407654358 /nfs/dbraw/zinc/65/43/58/407654358.db2.gz FQKLWUYKPISMGE-XHSDSOJGSA-N 1 0 323.481 1.382 10 0 DDAERO CN(CC(=O)N1CCc2ccccc2C1)[C@@H]1CCC[NH2+]CC1 ZINC000261989025 407703612 /nfs/dbraw/zinc/70/36/12/407703612.db2.gz BEZTWENLJPPLKL-QGZVFWFLSA-N 1 0 301.434 1.645 10 0 DDAERO COc1ccc(/C=C/C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1O ZINC000186578640 407710272 /nfs/dbraw/zinc/71/02/72/407710272.db2.gz UJWQTSDZCXYMJK-DYLGSBMWSA-N 1 0 320.389 1.203 10 0 DDAERO CS[C@H](C)CNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000182035058 306701857 /nfs/dbraw/zinc/70/18/57/306701857.db2.gz HADNMVKATLBSNA-QWHCGFSZSA-N 1 0 317.499 1.472 10 0 DDAERO CCCN1c2ccc(NC(=O)[C@H]([NH3+])COC)cc2CCC1=O ZINC000262077598 407731885 /nfs/dbraw/zinc/73/18/85/407731885.db2.gz QAJFMLFYWCKXJK-CYBMUJFWSA-N 1 0 305.378 1.288 10 0 DDAERO CCOCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116315884 407742810 /nfs/dbraw/zinc/74/28/10/407742810.db2.gz WZDLEISTDHPEKR-KGLIPLIRSA-N 1 0 308.426 1.141 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000262168710 407757110 /nfs/dbraw/zinc/75/71/10/407757110.db2.gz ANYKVZDFMVTMHV-QMTHXVAHSA-N 1 0 310.369 1.765 10 0 DDAERO CCCC(=O)N[C@H]1CCCN(C(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000236726949 407760675 /nfs/dbraw/zinc/76/06/75/407760675.db2.gz NTLSBQYWEWOGAF-JKSUJKDBSA-N 1 0 317.433 1.984 10 0 DDAERO CC[NH+](CC)CCCNC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116520361 407761485 /nfs/dbraw/zinc/76/14/85/407761485.db2.gz OBIIWHDBIXLTER-AWEZNQCLSA-N 1 0 307.442 1.651 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000262168596 407757331 /nfs/dbraw/zinc/75/73/31/407757331.db2.gz ANLYKSWXQXONML-HNNXBMFYSA-N 1 0 301.346 1.573 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)Cc2ccc(C)nc2)C[C@H]1CC ZINC000116767847 407772918 /nfs/dbraw/zinc/77/29/18/407772918.db2.gz RUJHHHXCMOMOGS-QGZVFWFLSA-N 1 0 319.449 1.892 10 0 DDAERO COc1cccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000171828728 407776227 /nfs/dbraw/zinc/77/62/27/407776227.db2.gz WXJUMIBLKPCLGK-CQSZACIVSA-N 1 0 307.438 1.615 10 0 DDAERO CCc1ccc(CCC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000116788685 407777075 /nfs/dbraw/zinc/77/70/75/407777075.db2.gz JUAVFGYESCWQII-KRWDZBQOSA-N 1 0 304.434 1.971 10 0 DDAERO COCCOc1ccccc1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116792708 407779825 /nfs/dbraw/zinc/77/98/25/407779825.db2.gz PJLUNWBZMMUIOV-AWEZNQCLSA-N 1 0 322.405 1.114 10 0 DDAERO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)CCO1 ZINC000116900802 407794653 /nfs/dbraw/zinc/79/46/53/407794653.db2.gz VORCFUNDGFDIDS-GFCCVEGCSA-N 1 0 318.826 1.291 10 0 DDAERO COC[C@H]([NH3+])C(=O)N[C@@H](C)Cc1ccccc1Br ZINC000262337946 407804695 /nfs/dbraw/zinc/80/46/95/407804695.db2.gz SJYQHLDVLNDLNS-CABZTGNLSA-N 1 0 315.211 1.470 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)NC2CCOCC2)C[C@H]1CC ZINC000117036354 407807694 /nfs/dbraw/zinc/80/76/94/407807694.db2.gz HMCUGXZNSQRUMP-OAHLLOKOSA-N 1 0 313.442 1.308 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)NC[C@H]2CCc3ccccc32)CCO1 ZINC000117048874 407809208 /nfs/dbraw/zinc/80/92/08/407809208.db2.gz QIYYLTGRHUOACU-CVEARBPZSA-N 1 0 317.433 1.688 10 0 DDAERO CN(C)S(=O)(=O)c1cccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000262416716 407828266 /nfs/dbraw/zinc/82/82/66/407828266.db2.gz DPMMVVOLKNCSIS-CWRNSKLLSA-N 1 0 323.462 1.106 10 0 DDAERO CN(Cc1cc(=O)n2cc(Cl)ccc2n1)[C@@H]1CCC[NH2+]CC1 ZINC000262449792 407836862 /nfs/dbraw/zinc/83/68/62/407836862.db2.gz HQOIZJMSDZZEMN-CQSZACIVSA-N 1 0 320.824 1.922 10 0 DDAERO COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(OC)c1 ZINC000180224151 407865215 /nfs/dbraw/zinc/86/52/15/407865215.db2.gz UYFBYGJBCJBFBQ-PBHICJAKSA-N 1 0 320.433 1.856 10 0 DDAERO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCS[C@@H](C)C1 ZINC000173133601 407865499 /nfs/dbraw/zinc/86/54/99/407865499.db2.gz MPYOVEHKOSFACR-JSGCOSHPSA-N 1 0 300.468 1.744 10 0 DDAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCN(CC(F)(F)C(F)F)CC2)C1 ZINC000237993484 407865779 /nfs/dbraw/zinc/86/57/79/407865779.db2.gz IADVVHPOKZXNIF-VHSXEESVSA-N 1 0 311.323 1.158 10 0 DDAERO CCC(CC)(C[NH3+])NC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000262578278 407870888 /nfs/dbraw/zinc/87/08/88/407870888.db2.gz LWNAFAPUFPSFEV-GFCCVEGCSA-N 1 0 306.410 1.830 10 0 DDAERO CC[C@H](O)C[NH+]1CCN([C@H](C)c2cc(C)c(C(=O)OC)o2)CC1 ZINC000180690299 407912433 /nfs/dbraw/zinc/91/24/33/407912433.db2.gz MZGKTQJETRDGIA-KGLIPLIRSA-N 1 0 324.421 1.824 10 0 DDAERO CC[C@@H]1CN(C(=O)CC[C@@H]2CC[C@H](C)O2)CC[N@@H+]1CCOC ZINC000173665201 407893210 /nfs/dbraw/zinc/89/32/10/407893210.db2.gz SOEHNDVKVZHQMI-XHSDSOJGSA-N 1 0 312.454 1.903 10 0 DDAERO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CN(C)CCO1)CCCO2 ZINC000180499521 407894321 /nfs/dbraw/zinc/89/43/21/407894321.db2.gz IAIYFJYAVYXBML-GDBMZVCRSA-N 1 0 306.406 1.829 10 0 DDAERO CCc1cc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1C ZINC000180615679 407904001 /nfs/dbraw/zinc/90/40/01/407904001.db2.gz FEUQFQXFJCEALE-INIZCTEOSA-N 1 0 315.417 1.803 10 0 DDAERO Cc1nn(C)c2ncc(C[N@@H+]3CC[C@H](N4CCOCC4)C3)cc12 ZINC000173944277 407905454 /nfs/dbraw/zinc/90/54/54/407905454.db2.gz QPDPNHPPFNBOHD-HNNXBMFYSA-N 1 0 315.421 1.183 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(C[C@H](O)COc2ccc(C)cc2)CC1 ZINC000174093142 407913500 /nfs/dbraw/zinc/91/35/00/407913500.db2.gz DHIOKQXJDTVCLF-IRXDYDNUSA-N 1 0 322.449 1.123 10 0 DDAERO COCCc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000262752666 407917042 /nfs/dbraw/zinc/91/70/42/407917042.db2.gz NYNBAWAGVHKDIM-ZFWWWQNUSA-N 1 0 312.435 1.281 10 0 DDAERO COC[C@@H](C)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188169382 407922801 /nfs/dbraw/zinc/92/28/01/407922801.db2.gz UTWGSMQVGGTCCC-QAPCUYQASA-N 1 0 320.433 1.364 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C/c2ccnc(Cl)c2)C[C@@H]1C ZINC000245603940 408024539 /nfs/dbraw/zinc/02/45/39/408024539.db2.gz XMFHZSZZRSYKJO-GFSGRHGLSA-N 1 0 323.824 1.662 10 0 DDAERO Cc1cc(C)n(C[C@@H]2CN(CCO[C@@H]3CCCCO3)CCO2)n1 ZINC000181692604 408027500 /nfs/dbraw/zinc/02/75/00/408027500.db2.gz HEPDAUFYMDMMTN-DLBZAZTESA-N 1 0 323.437 1.744 10 0 DDAERO Cn1cc([C@H]2CCCN2CC(=O)NCC(=O)OC(C)(C)C)cn1 ZINC000181751223 408035470 /nfs/dbraw/zinc/03/54/70/408035470.db2.gz SBLCCECIOPHKHM-CYBMUJFWSA-N 1 0 322.409 1.015 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(Cc2cc(-c3ccccc3)n[nH]2)C[C@H]1C ZINC000245740488 408057825 /nfs/dbraw/zinc/05/78/25/408057825.db2.gz LOUBQSOLUKDLEZ-CABCVRRESA-N 1 0 314.433 1.964 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnc(N2CCOCC2)s1 ZINC000245751174 408060016 /nfs/dbraw/zinc/06/00/16/408060016.db2.gz NUINWPKPJQJGSA-KBPBESRZSA-N 1 0 322.478 1.648 10 0 DDAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cc(-c3ccccn3)no2)n1 ZINC000263223637 408065712 /nfs/dbraw/zinc/06/57/12/408065712.db2.gz MKIDLOCTUWUMLG-GFCCVEGCSA-N 1 0 312.333 1.363 10 0 DDAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1csc(-c2ccc(F)cc2)n1 ZINC000263243081 408073896 /nfs/dbraw/zinc/07/38/96/408073896.db2.gz OWOJTHRJZCTBQZ-SMDDNHRTSA-N 1 0 307.394 1.619 10 0 DDAERO CN1CC[NH2+]C[C@H]1c1noc(/C=C/c2cnc3ccccc3n2)n1 ZINC000263267210 408082746 /nfs/dbraw/zinc/08/27/46/408082746.db2.gz RTISOYXFLBVQHN-LFAOLKIESA-N 1 0 322.372 1.759 10 0 DDAERO Cc1ccc(-c2cc(-c3nc([C@H]4C[NH2+]CCN4C)no3)n[nH]2)o1 ZINC000263296705 408095744 /nfs/dbraw/zinc/09/57/44/408095744.db2.gz WLVZBXRBQPNGAY-GFCCVEGCSA-N 1 0 314.349 1.604 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cccc(F)c1 ZINC000175394695 408118145 /nfs/dbraw/zinc/11/81/45/408118145.db2.gz VDUOKNRUGUQLTF-CYBMUJFWSA-N 1 0 300.399 1.931 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000175385320 408119009 /nfs/dbraw/zinc/11/90/09/408119009.db2.gz GZPUURDVWHZTAJ-LSDHHAIUSA-N 1 0 305.426 1.751 10 0 DDAERO CCOC(=O)c1ccc(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)o1 ZINC000245719513 408054369 /nfs/dbraw/zinc/05/43/69/408054369.db2.gz HRKBAUJOBAEKBP-ZFWWWQNUSA-N 1 0 322.405 1.609 10 0 DDAERO CCOc1ccc(OCCN2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000155244306 408141906 /nfs/dbraw/zinc/14/19/06/408141906.db2.gz AIYQRWSRSOPJHI-QGZVFWFLSA-N 1 0 308.422 1.727 10 0 DDAERO Cc1nn(C(C)(C)C)cc1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000182444645 408161805 /nfs/dbraw/zinc/16/18/05/408161805.db2.gz ONDOSQXTLMEEPX-CYBMUJFWSA-N 1 0 308.426 1.349 10 0 DDAERO Cc1n[nH]cc1CN(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000121238892 408168516 /nfs/dbraw/zinc/16/85/16/408168516.db2.gz MXZLZAXLWIGHGG-UHFFFAOYSA-N 1 0 302.426 1.511 10 0 DDAERO C[C@@](O)(C[N@@H+]1CCCN(C(=O)C2CC2)CC1)c1ccccc1 ZINC000121245468 408170785 /nfs/dbraw/zinc/17/07/85/408170785.db2.gz IKRLVSGBWLNZLJ-GOSISDBHSA-N 1 0 302.418 1.838 10 0 DDAERO O=C(CN1CC[N@@H+]2CCCC[C@H]2C1)NC(=O)NC1CCCCC1 ZINC000246230297 408186092 /nfs/dbraw/zinc/18/60/92/408186092.db2.gz SCMNZGPANFXDFO-HNNXBMFYSA-N 1 0 322.453 1.315 10 0 DDAERO C[S@@](=O)c1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000175713872 408187715 /nfs/dbraw/zinc/18/77/15/408187715.db2.gz JMAHVMSQXVNWLK-JLCFBVMHSA-N 1 0 321.446 1.414 10 0 DDAERO COC(=O)c1cc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)oc1C ZINC000246429024 408250934 /nfs/dbraw/zinc/25/09/34/408250934.db2.gz LDHFFIGZELFWEI-WBMJQRKESA-N 1 0 322.405 1.527 10 0 DDAERO COC(=O)c1ccc(CN2CCO[C@H](C[NH+](C)C)C2)cc1F ZINC000151120292 408259734 /nfs/dbraw/zinc/25/97/34/408259734.db2.gz ISIAKXDTZJFRKD-CYBMUJFWSA-N 1 0 310.369 1.375 10 0 DDAERO COCCCS(=O)(=O)NCC[NH2+][C@@H](C)c1ccc(C)o1 ZINC000182591789 408197988 /nfs/dbraw/zinc/19/79/88/408197988.db2.gz LTHMJTWWYGIOML-LBPRGKRZSA-N 1 0 304.412 1.195 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CSCCS1 ZINC000246290498 408208381 /nfs/dbraw/zinc/20/83/81/408208381.db2.gz UOJDHZIIZXWWRL-UPJWGTAASA-N 1 0 315.508 1.713 10 0 DDAERO C[C@@H]1CC[C@H](C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)O1 ZINC000150831060 408209626 /nfs/dbraw/zinc/20/96/26/408209626.db2.gz NENHARIPMOZZMB-RHSMWYFYSA-N 1 0 317.433 1.940 10 0 DDAERO Cn1cc(CN2CCCN(C(=O)[C@@H]3C[C@@H]3C3CC3)CC2)cn1 ZINC000176010585 408265727 /nfs/dbraw/zinc/26/57/27/408265727.db2.gz OVRBQSDMUYRKGO-HZPDHXFCSA-N 1 0 302.422 1.501 10 0 DDAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)C2CC(=O)C2)C1 ZINC000190606876 408288111 /nfs/dbraw/zinc/28/81/11/408288111.db2.gz KYBPIXYQDNIYCP-CQSZACIVSA-N 1 0 301.390 1.341 10 0 DDAERO CCc1cc(=O)[nH]c(CN2CC[N@H+](CCOC)[C@@H](CC)C2)n1 ZINC000246569072 408291833 /nfs/dbraw/zinc/29/18/33/408291833.db2.gz LBTCUAFMBHNHTF-AWEZNQCLSA-N 1 0 308.426 1.287 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1-n1ccnn1 ZINC000182977994 408298500 /nfs/dbraw/zinc/29/85/00/408298500.db2.gz MMLNYWGLJUSIFW-ZIAGYGMSSA-N 1 0 311.389 1.576 10 0 DDAERO COCc1ccc(CNC(=O)C[NH2+][C@H](C)[C@@H]2CCCO2)cc1 ZINC000183156892 408339140 /nfs/dbraw/zinc/33/91/40/408339140.db2.gz MGOOQNRZEDOYFN-CJNGLKHVSA-N 1 0 306.406 1.606 10 0 DDAERO CCn1cnnc1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000136859696 162123501 /nfs/dbraw/zinc/12/35/01/162123501.db2.gz OPUUBYYCXUWUBJ-OAHLLOKOSA-N 1 0 319.453 1.736 10 0 DDAERO Cc1cc(C)n(C[C@H]2CN(C(=O)C3([NH3+])CCCCC3)CCO2)n1 ZINC000168278998 162178829 /nfs/dbraw/zinc/17/88/29/162178829.db2.gz SXPRYPKFRHGYHM-OAHLLOKOSA-N 1 0 320.437 1.389 10 0 DDAERO C[C@@H](CC(=O)N1CCO[C@@H](Cn2cccn2)C1)C1CC[NH2+]CC1 ZINC000168233329 162179568 /nfs/dbraw/zinc/17/95/68/162179568.db2.gz BRZLYDPJWMCUCA-GOEBONIOSA-N 1 0 320.437 1.136 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(C)on1 ZINC000246884482 408361012 /nfs/dbraw/zinc/36/10/12/408361012.db2.gz GFSKQVONTJVGMD-NEPJUHHUSA-N 1 0 306.366 1.007 10 0 DDAERO CCc1ccc([C@@H](C)NC(=O)C(=O)N2CCN(CC)CC2)cc1 ZINC000170352883 162185579 /nfs/dbraw/zinc/18/55/79/162185579.db2.gz OWGARPPUNIOAQM-CQSZACIVSA-N 1 0 317.433 1.590 10 0 DDAERO CC(C)N(C(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cncn2)C1)C(C)C ZINC000171617569 162230442 /nfs/dbraw/zinc/23/04/42/162230442.db2.gz PYSLXTLFYRPHMD-GJZGRUSLSA-N 1 0 307.442 1.949 10 0 DDAERO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(c2nncn2CC)CC1 ZINC000171644363 162233245 /nfs/dbraw/zinc/23/32/45/162233245.db2.gz DIZZJEJQRKQPGH-STQMWFEESA-N 1 0 307.442 1.781 10 0 DDAERO O=C(NCc1ccc(CO)c(F)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171905931 162246700 /nfs/dbraw/zinc/24/67/00/162246700.db2.gz XQJMCZDQMUMERT-AWEZNQCLSA-N 1 0 307.369 1.308 10 0 DDAERO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000174004827 162385299 /nfs/dbraw/zinc/38/52/99/162385299.db2.gz PGDIQIVZPCTSIQ-GWCFXTLKSA-N 1 0 314.455 1.044 10 0 DDAERO Cn1cc([C@@H]2CC[N@H+](C[C@@H](O)COc3ccccc3)C2)cn1 ZINC000246992623 408382115 /nfs/dbraw/zinc/38/21/15/408382115.db2.gz LKYAFBFPWUQBPB-GDBMZVCRSA-N 1 0 301.390 1.649 10 0 DDAERO COCCN1CCN(C(=O)[C@@H](C)c2c(C)noc2C)C[C@@H]1C ZINC000247046293 408396514 /nfs/dbraw/zinc/39/65/14/408396514.db2.gz JFGLJANXKSYENE-RYUDHWBXSA-N 1 0 309.410 1.574 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H](O)COc1ccc(F)cc1 ZINC000247115923 408412218 /nfs/dbraw/zinc/41/22/18/408412218.db2.gz IVESIXLXFGAJKZ-KBMXLJTQSA-N 1 0 308.397 1.734 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N1CCc2ccccc2C1 ZINC000247161603 408417085 /nfs/dbraw/zinc/41/70/85/408417085.db2.gz KJAQKBJLRODPBW-YJBOKZPZSA-N 1 0 313.445 1.740 10 0 DDAERO CO[C@@H](C)CCC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000183469318 408419480 /nfs/dbraw/zinc/41/94/80/408419480.db2.gz YGSXZBJCGXWXMO-HNNXBMFYSA-N 1 0 322.453 1.621 10 0 DDAERO COC[C@H](Cc1ccccc1)N(C)Cc1nnnn1C(C)C ZINC000191493209 408434429 /nfs/dbraw/zinc/43/44/29/408434429.db2.gz OCTFUZNNGRZEBM-HNNXBMFYSA-N 1 0 303.410 1.944 10 0 DDAERO CC(=O)NC1CN(C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000191731019 408479560 /nfs/dbraw/zinc/47/95/60/408479560.db2.gz VYMPSAQKFHRTGG-MRXNPFEDSA-N 1 0 320.433 1.544 10 0 DDAERO Cc1cccc(CS(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000247553594 408491989 /nfs/dbraw/zinc/49/19/89/408491989.db2.gz ZMQZLWVCBWNZCT-ZBFHGGJFSA-N 1 0 308.447 1.993 10 0 DDAERO C[C@@H](O)c1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000247653847 408499423 /nfs/dbraw/zinc/49/94/23/408499423.db2.gz XLGNOFAVINLMGK-CJNGLKHVSA-N 1 0 303.406 1.730 10 0 DDAERO O=S(=O)(c1cccc(F)c1F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247646582 408499560 /nfs/dbraw/zinc/49/95/60/408499560.db2.gz VHZOXUPZBIUYGS-JTQLQIEISA-N 1 0 302.346 1.434 10 0 DDAERO C[NH+](C)C[C@@H](NC(=O)CCOC1CCOCC1)c1ccccc1 ZINC000177082279 408515002 /nfs/dbraw/zinc/51/50/02/408515002.db2.gz ROTCOLKKONWBMS-QGZVFWFLSA-N 1 0 320.433 1.991 10 0 DDAERO CON(C)C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000192384466 408583690 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323.416 1.072 10 0 DDAERO C[C@]1(CNS(=O)(=O)c2ccc(F)c(F)c2F)CCC[NH2+]C1 ZINC000129183853 196026801 /nfs/dbraw/zinc/02/68/01/196026801.db2.gz FAHIAPDMKJZPLW-ZDUSSCGKSA-N 1 0 322.352 1.772 10 0 DDAERO C[NH2+][C@H](C)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC000638514865 422937422 /nfs/dbraw/zinc/93/74/22/422937422.db2.gz XEGUWMXXBGCJOQ-NVXWUHKLSA-N 1 0 303.450 1.963 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccc(C(N)=O)cc2)C1 ZINC000132148515 196230675 /nfs/dbraw/zinc/23/06/75/196230675.db2.gz BKGBHBDCCPUHRQ-DOMZBBRYSA-N 1 0 318.421 1.313 10 0 DDAERO CCC[C@@H](C(=O)NCCNC(=O)c1cccc(OC)c1)[NH+](C)C ZINC000134357164 196381971 /nfs/dbraw/zinc/38/19/71/196381971.db2.gz MOIXXJFIVVKNLU-HNNXBMFYSA-N 1 0 321.421 1.272 10 0 DDAERO Cc1ncccc1C[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000299741738 229378151 /nfs/dbraw/zinc/37/81/51/229378151.db2.gz AKARFOMDFXUFGA-MRXNPFEDSA-N 1 0 303.406 1.242 10 0 DDAERO C[C@@H]1CCN(c2ccc(S(C)(=O)=O)cc2F)[C@@H](C[NH3+])C1 ZINC000261769732 287603424 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O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000121803562 281144761 /nfs/dbraw/zinc/14/47/61/281144761.db2.gz WSJYHTCOPSGODF-HRCADAONSA-N 1 0 309.410 1.493 10 0 DDAERO CC[C@H]1CN(Cc2ccc(OC)c(OC)c2)CC[N@@H+]1C[C@@H](C)O ZINC000120739020 281170084 /nfs/dbraw/zinc/17/00/84/281170084.db2.gz OPGYYFGTARABJH-ZBFHGGJFSA-N 1 0 322.449 1.981 10 0 DDAERO CN(Cc1ccccc1Cl)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129643994 281352402 /nfs/dbraw/zinc/35/24/02/281352402.db2.gz NFSWGYQXQQPBDI-UHFFFAOYSA-N 1 0 309.841 1.982 10 0 DDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CCNC(=O)c2ccsc2)C1 ZINC000247477552 282054998 /nfs/dbraw/zinc/05/49/98/282054998.db2.gz VVDFFRNDLNMCBA-GXTWGEPZSA-N 1 0 323.462 1.713 10 0 DDAERO CCOC[C@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000247706299 282069775 /nfs/dbraw/zinc/06/97/75/282069775.db2.gz YZMVSCIRRORZAR-QWHCGFSZSA-N 1 0 302.415 1.373 10 0 DDAERO CN(C)Cc1nc(C(C)(C)NC(=O)[C@H]2CCC[C@H]([NH3+])C2)no1 ZINC000237061940 289226911 /nfs/dbraw/zinc/22/69/11/289226911.db2.gz ZNVALNWKLWAMOX-QWRGUYRKSA-N 1 0 309.414 1.000 10 0 DDAERO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(S(=O)(=O)c2ccccc2)C1 ZINC000286331387 294614564 /nfs/dbraw/zinc/61/45/64/294614564.db2.gz JVUKSWJWCVJJKI-GJZGRUSLSA-N 1 0 324.446 1.560 10 0 DDAERO O=C(C[C@H](c1ccccc1)C(F)(F)F)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262366974 295542653 /nfs/dbraw/zinc/54/26/53/295542653.db2.gz VTRRHMXDHFHKEK-UPJWGTAASA-N 1 0 316.323 1.419 10 0 DDAERO CCc1[nH+]c2ccccc2c(N2CCC[C@](O)(C(N)=O)C2)c1C ZINC000580473303 308608066 /nfs/dbraw/zinc/60/80/66/308608066.db2.gz DZSGMHINKKITAW-GOSISDBHSA-N 1 0 313.401 1.922 10 0 DDAERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ncc(I)cn1 ZINC000389740377 325775881 /nfs/dbraw/zinc/77/58/81/325775881.db2.gz YKYJFVSIWWTRRP-APPZFPTMSA-N 1 0 318.162 1.491 10 0 DDAERO CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000247442614 484228817 /nfs/dbraw/zinc/22/88/17/484228817.db2.gz XGHCOEQQAJHTCX-QEJZJMRPSA-N 1 0 303.406 1.309 10 0 DDAERO Cn1ncc(NCC2([NH3+])CCCC2)c(Br)c1=O ZINC000656610921 484242373 /nfs/dbraw/zinc/24/23/73/484242373.db2.gz VYRSTEGQMWEQCD-UHFFFAOYSA-N 1 0 301.188 1.226 10 0 DDAERO C[C@H](NC(=O)[C@@H]1COCCN1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261545748 484252472 /nfs/dbraw/zinc/25/24/72/484252472.db2.gz KIDNNGMTJGOPKH-UAGQMJEPSA-N 1 0 317.433 1.002 10 0 DDAERO Cc1cc(Br)ccc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262097998 484262324 /nfs/dbraw/zinc/26/23/24/484262324.db2.gz DMQJLMWYVYHHRC-CABZTGNLSA-N 1 0 313.195 1.068 10 0 DDAERO CC(C)(C)c1ccccc1OCC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262144389 484263965 /nfs/dbraw/zinc/26/39/65/484263965.db2.gz HJHMMASZXPRBRM-GXTWGEPZSA-N 1 0 306.406 1.059 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000262374029 484270021 /nfs/dbraw/zinc/27/00/21/484270021.db2.gz WLAMZXNXEPOIDP-GXFFZTMASA-N 1 0 321.764 1.305 10 0 DDAERO Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@H]2CCSC2)no1 ZINC000328627849 534370205 /nfs/dbraw/zinc/37/02/05/534370205.db2.gz GQMFAAOUPKQPKG-SRVKXCTJSA-N 1 0 300.403 1.386 10 0 DDAERO NC(=O)[C@@H](O)C1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000299753199 534418486 /nfs/dbraw/zinc/41/84/86/534418486.db2.gz XFNZTQGQCUMHBZ-HNNXBMFYSA-N 1 0 310.825 1.831 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)C[C@H]1CCCCO1 ZINC000189139477 519342945 /nfs/dbraw/zinc/34/29/45/519342945.db2.gz AWTDPBPRBZAOJV-ZIAGYGMSSA-N 1 0 306.472 1.451 10 0 DDAERO Cc1nc2c(c(N3CCC([N@H+](C)CCO)CC3)n1)CCCC2 ZINC000302072257 534621223 /nfs/dbraw/zinc/62/12/23/534621223.db2.gz ZEWWRPAFOKFFIM-UHFFFAOYSA-N 1 0 304.438 1.557 10 0 DDAERO CC(C)C(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000337163198 535373278 /nfs/dbraw/zinc/37/32/78/535373278.db2.gz VVZXFGVEEOIEFT-QLFBSQMISA-N 1 0 309.454 1.622 10 0 DDAERO C[NH+](C)CCCNC(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000174618391 535836272 /nfs/dbraw/zinc/83/62/72/535836272.db2.gz YGNNBKOORZTDQY-OLZOCXBDSA-N 1 0 313.442 1.748 10 0 DDAERO COc1ccc([C@H](C)NC(=S)NCC[NH+](C)C)cc1OC ZINC000044220385 696162900 /nfs/dbraw/zinc/16/29/00/696162900.db2.gz OQGOQNDLXGXPQW-NSHDSACASA-N 1 0 311.451 1.791 10 0 DDAERO COC(=O)[C@@H]1C[C@H]1C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117093764 696669895 /nfs/dbraw/zinc/66/98/95/696669895.db2.gz BZLZATAOEIEAMC-RBSFLKMASA-N 1 0 303.358 1.613 10 0 DDAERO CC[C@@H]1CN(Cn2ccc(C(F)(F)F)n2)CC[N@@H+]1CCOC ZINC000117325113 696670696 /nfs/dbraw/zinc/67/06/96/696670696.db2.gz JDVUMDFAKFDFII-GFCCVEGCSA-N 1 0 320.359 1.902 10 0 DDAERO C[C@@H]1CC[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)O1 ZINC000123791608 696735148 /nfs/dbraw/zinc/73/51/48/696735148.db2.gz CXBCPQLATYPPAW-CJNGLKHVSA-N 1 0 303.406 1.944 10 0 DDAERO Cn1c(=S)n(CN2CC[C@@H]([NH+](C)C)C2)nc1-c1ccncc1 ZINC000170843313 697351234 /nfs/dbraw/zinc/35/12/34/697351234.db2.gz RKCLLIQUOYVALN-CYBMUJFWSA-N 1 0 318.450 1.606 10 0 DDAERO c1cn(-c2ccc(C[N@@H+]3CC[C@@H](N4CCOCC4)C3)cn2)cn1 ZINC000177310377 697412067 /nfs/dbraw/zinc/41/20/67/697412067.db2.gz WBJZEGYNZAIEDC-MRXNPFEDSA-N 1 0 313.405 1.174 10 0 DDAERO C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000178832535 697429569 /nfs/dbraw/zinc/42/95/69/697429569.db2.gz VOTHZMWGDYPICE-QWHCGFSZSA-N 1 0 318.421 1.782 10 0 DDAERO CCCOC(=O)c1ccc(S(=O)(=O)NCC[C@@H](C)[NH3+])cc1 ZINC000178909515 697430640 /nfs/dbraw/zinc/43/06/40/697430640.db2.gz XVNYVXUFGWQMBE-LLVKDONJSA-N 1 0 314.407 1.269 10 0 DDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCOc1ncccc1C(F)(F)F ZINC000182677297 697478057 /nfs/dbraw/zinc/47/80/57/697478057.db2.gz YRJZDYZDUTWWPD-MWLCHTKSSA-N 1 0 319.327 1.969 10 0 DDAERO Cn1c(CN2CCC[C@H](C3(C)OCCO3)C2)nnc1C1CC1 ZINC000183839510 697494850 /nfs/dbraw/zinc/49/48/50/697494850.db2.gz KEVARJGUSAOGDX-ZDUSSCGKSA-N 1 0 306.410 1.668 10 0 DDAERO CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(F)nc2)ncn1 ZINC000189069484 697570635 /nfs/dbraw/zinc/57/06/35/697570635.db2.gz CWJMWAOJQNSVCV-ZDUSSCGKSA-N 1 0 316.384 1.811 10 0 DDAERO Cc1nc(NC[C@H]2CCCO2)c2c(n1)N[C@H](C(C)C)C(=O)N2 ZINC000224030436 697764125 /nfs/dbraw/zinc/76/41/25/697764125.db2.gz PSSVDDFUYIPBDH-GHMZBOCLSA-N 1 0 305.382 1.765 10 0 DDAERO COC(=O)C[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000246542630 698351662 /nfs/dbraw/zinc/35/16/62/698351662.db2.gz SNFQPWADUUNTEW-KFWWJZLASA-N 1 0 304.390 1.925 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C)CC2(C)OCCO2)C1 ZINC000246657765 698353184 /nfs/dbraw/zinc/35/31/84/698353184.db2.gz PSXTVIOLECCHDW-ZIAGYGMSSA-N 1 0 313.442 1.559 10 0 DDAERO CC[C@H]1CN(Cc2ncc(Cl)n2C)CC[N@@H+]1C[C@H](C)O ZINC000247172052 698362163 /nfs/dbraw/zinc/36/21/63/698362163.db2.gz MYJPWPCIVYSWDD-RYUDHWBXSA-N 1 0 300.834 1.351 10 0 DDAERO C[NH+](C)C1(CNS(=O)(=O)/C=C\c2ccccc2)CCOCC1 ZINC000255119822 698412629 /nfs/dbraw/zinc/41/26/29/698412629.db2.gz HEOWKYVKBMTFRN-JYRVWZFOSA-N 1 0 324.446 1.688 10 0 DDAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1ccc(N)cn1 ZINC000261560118 698427365 /nfs/dbraw/zinc/42/73/65/698427365.db2.gz ZQTRPPVFKJINNA-AWEZNQCLSA-N 1 0 312.417 1.843 10 0 DDAERO COC[C@@H]([NH3+])C(=O)NCCc1ccc(Br)cc1 ZINC000261553565 698427539 /nfs/dbraw/zinc/42/75/39/698427539.db2.gz OALXAZKJHFGCCD-LLVKDONJSA-N 1 0 301.184 1.082 10 0 DDAERO C[NH2+][C@@H](C)CNC(=O)C[C@@H](NC(C)=O)c1ccc(F)cc1F ZINC000261636418 698430242 /nfs/dbraw/zinc/43/02/42/698430242.db2.gz CVAOJEZQMPEVKQ-LKFCYVNXSA-N 1 0 313.348 1.256 10 0 DDAERO CCOc1ccccc1[C@@H](CC(=O)NC[C@@H](C)[NH2+]C)NC(C)=O ZINC000261665133 698431759 /nfs/dbraw/zinc/43/17/59/698431759.db2.gz GICBNRFQUGNPSX-IUODEOHRSA-N 1 0 321.421 1.377 10 0 DDAERO C[NH2+][C@@H](C)CNC(=O)CNC(=O)c1cc2c(s1)CCCC2 ZINC000261699381 698433735 /nfs/dbraw/zinc/43/37/35/698433735.db2.gz JBLRDEXWJQHMCU-JTQLQIEISA-N 1 0 309.435 1.081 10 0 DDAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000261744348 698436002 /nfs/dbraw/zinc/43/60/02/698436002.db2.gz MTUWGPRSHOIZQQ-ZETCQYMHSA-N 1 0 314.304 1.731 10 0 DDAERO C[NH+](C)[C@@H](CNC(=O)C1([NH3+])CCOCC1)c1cccc(F)c1 ZINC000261787387 698437761 /nfs/dbraw/zinc/43/77/61/698437761.db2.gz HYNYDTYGMBPTRY-AWEZNQCLSA-N 1 0 309.385 1.053 10 0 DDAERO Cn1ccnc1-c1cccc(NC(=O)C2([NH3+])CCOCC2)c1 ZINC000261822934 698439688 /nfs/dbraw/zinc/43/96/88/698439688.db2.gz KNAVGJVWNGDMGK-UHFFFAOYSA-N 1 0 300.362 1.534 10 0 DDAERO COc1ccccc1[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000262049903 698452355 /nfs/dbraw/zinc/45/23/55/698452355.db2.gz ZOEJJGRVDSAWAI-MXASKKJJSA-N 1 0 320.433 1.475 10 0 DDAERO COc1cc(OC)c(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(OC)c1 ZINC000262395622 698467981 /nfs/dbraw/zinc/46/79/81/698467981.db2.gz BUGAGXLSRMSXOE-NJZAAPMLSA-N 1 0 306.406 1.882 10 0 DDAERO Cc1csc2c1ncnc2N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000262415614 698468530 /nfs/dbraw/zinc/46/85/30/698468530.db2.gz DNOPRNQUDBLIJB-LLVKDONJSA-N 1 0 319.434 1.291 10 0 DDAERO C[NH2+]C[C@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 ZINC000262562528 698474795 /nfs/dbraw/zinc/47/47/95/698474795.db2.gz VVMQLGFUNQULHJ-SECBINFHSA-N 1 0 314.315 1.579 10 0 DDAERO COC[C@H]([NH3+])C(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000262596367 698475862 /nfs/dbraw/zinc/47/58/62/698475862.db2.gz XCPINKXEEKMZTG-INIZCTEOSA-N 1 0 318.417 1.866 10 0 DDAERO O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cn[nH]n1 ZINC000309800887 698667401 /nfs/dbraw/zinc/66/74/01/698667401.db2.gz RWFWOBOHKAFTNO-RRFJBIMHSA-N 1 0 311.389 1.445 10 0 DDAERO [NH3+]C1CCN(CCNc2ncncc2Br)CC1 ZINC000322265436 698733191 /nfs/dbraw/zinc/73/31/91/698733191.db2.gz UJHPCSUMQRJRJY-UHFFFAOYSA-N 1 0 300.204 1.074 10 0 DDAERO CC[C@](C)(C[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)OC ZINC000702836529 699233459 /nfs/dbraw/zinc/23/34/59/699233459.db2.gz GDFOKRMXHNDMQX-WOSRLPQWSA-N 1 0 316.442 1.619 10 0 DDAERO Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1 ZINC000702846093 699234291 /nfs/dbraw/zinc/23/42/91/699234291.db2.gz PTBDGHOOCJTWJD-UONOGXRCSA-N 1 0 309.410 1.343 10 0 DDAERO CO[C@@H]1CN(Cc2ncccc2Br)[C@](C)(C[NH3+])C1 ZINC000708920800 699251303 /nfs/dbraw/zinc/25/13/03/699251303.db2.gz SCJOEBZGUJQKHX-GWCFXTLKSA-N 1 0 314.227 1.782 10 0 DDAERO C[C@@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1nncn1C ZINC000711476313 699258102 /nfs/dbraw/zinc/25/81/02/699258102.db2.gz OHKZEGISLWQGME-VOMCLLRMSA-N 1 0 309.414 1.769 10 0 DDAERO [NH3+]C[C@@H]1C[C@@H](C(=O)NCc2c(Cl)cccc2Cl)CO1 ZINC000713893392 699268330 /nfs/dbraw/zinc/26/83/30/699268330.db2.gz QAVFBXQXUJUZNC-BDAKNGLRSA-N 1 0 303.189 1.973 10 0 DDAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)C1(C)C ZINC000716705245 699284015 /nfs/dbraw/zinc/28/40/15/699284015.db2.gz JKBCJYAPULWKHK-MMVSWEMESA-N 1 0 311.426 1.532 10 0 DDAERO C[C@H](COCc1ccccc1)C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000719487189 699302569 /nfs/dbraw/zinc/30/25/69/699302569.db2.gz SVWPDUYAQKWXMB-WMLDXEAASA-N 1 0 306.406 1.152 10 0 DDAERO Cc1cnn(CC[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)c1 ZINC000724024415 699323746 /nfs/dbraw/zinc/32/37/46/699323746.db2.gz QLWPRQBIEJSBLQ-VIFPVBQESA-N 1 0 301.259 1.730 10 0 DDAERO CO[C@@H]1CCN([C@H]2CCC[C@H]2[NH2+]CCn2cc(Cl)cn2)C1 ZINC000886082583 708694928 /nfs/dbraw/zinc/69/49/28/708694928.db2.gz ROQYNVXYZIQQAE-KFWWJZLASA-N 1 0 312.845 1.768 10 0 DDAERO Cn1cc([C@H]2OCC[C@@H]2C[N@H+](CCO)Cc2cccnc2)cn1 ZINC000886091331 708696570 /nfs/dbraw/zinc/69/65/70/708696570.db2.gz WBTFVTZKVVAESA-WBVHZDCISA-N 1 0 316.405 1.387 10 0 DDAERO COc1ccccc1C[NH2+]C[C@H]1C[C@@H](c2n[nH]c(C)n2)C[C@H]1O ZINC000888076219 709209292 /nfs/dbraw/zinc/20/92/92/709209292.db2.gz JSUOJANZLDHRRF-RBSFLKMASA-N 1 0 316.405 1.766 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCN1C(=O)C(C)=C(C)C1=O ZINC000900927732 709832114 /nfs/dbraw/zinc/83/21/14/709832114.db2.gz QZRZXWISAPXAJG-AWEZNQCLSA-N 1 0 321.421 1.024 10 0 DDAERO COc1cc2c(nn1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[N@H+]13)C2 ZINC000901094138 709922256 /nfs/dbraw/zinc/92/22/56/709922256.db2.gz IIMOCCQDGRMPBM-DZGCQCFKSA-N 1 0 316.405 1.387 10 0 DDAERO CCN1CCN(C2CCN(C(=O)CC[NH2+]C(C)(C)C)CC2)C1=O ZINC000932686622 714387263 /nfs/dbraw/zinc/38/72/63/714387263.db2.gz JXJMTCDUYPZCDM-UHFFFAOYSA-N 1 0 324.469 1.513 10 0 DDAERO C[NH+]1CCN(c2ccc(NC(=O)Cc3cocn3)cc2)CC1 ZINC000074686874 185009467 /nfs/dbraw/zinc/00/94/67/185009467.db2.gz PZSOICIFUOUCLZ-UHFFFAOYSA-N 1 0 300.362 1.608 10 0 DDAERO COc1ccc([C@@H]([NH3+])[C@@H](C)SCCS(C)(=O)=O)cc1 ZINC000081769050 192322319 /nfs/dbraw/zinc/32/23/19/192322319.db2.gz GSVLPVOWMRBPMS-MFKMUULPSA-N 1 0 303.449 1.861 10 0 DDAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCCC)C1 ZINC000248656994 282096952 /nfs/dbraw/zinc/09/69/52/282096952.db2.gz SCIIVGGNYCKVNU-HUUCEWRRSA-N 1 0 300.443 1.402 10 0 DDAERO Cn1c(SC[C@H]([NH3+])c2cccc(C(F)(F)F)c2)n[nH]c1=O ZINC000081880681 192334331 /nfs/dbraw/zinc/33/43/31/192334331.db2.gz FEVDXCZKKUUAJP-VIFPVBQESA-N 1 0 318.324 1.919 10 0 DDAERO C[C@H](CS(C)(=O)=O)NC(=O)CC[C@H](CC[NH3+])C(C)(C)C ZINC000081903696 192336207 /nfs/dbraw/zinc/33/62/07/192336207.db2.gz YESAYQSCVUSKGK-VXGBXAGGSA-N 1 0 306.472 1.327 10 0 DDAERO C[C@H]1CC[C@H]([NH3+])[C@H](S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000081935353 192342187 /nfs/dbraw/zinc/34/21/87/192342187.db2.gz MPJGGKQPMFPHTO-ITDIGPHOSA-N 1 0 311.403 1.747 10 0 DDAERO CC[NH2+][C@H]1CCC[C@H]1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000081935441 192342202 /nfs/dbraw/zinc/34/22/02/192342202.db2.gz XYVAGQHTDRUOBK-SWLSCSKDSA-N 1 0 311.403 1.762 10 0 DDAERO C[NH2+][C@@H](CS(=O)(=O)CCOC)C12CC3CC(CC(C3)C1)C2 ZINC000081943414 192344363 /nfs/dbraw/zinc/34/43/63/192344363.db2.gz OFHAMRLGMZKDHV-DQGBIZLVSA-N 1 0 315.479 1.852 10 0 DDAERO CC(C)(C)[C@@H](CC[NH3+])CCC(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000079290530 185163469 /nfs/dbraw/zinc/16/34/69/185163469.db2.gz ZURHFKAOMQRJTB-DOMZBBRYSA-N 1 0 318.483 1.471 10 0 DDAERO COc1ccccc1C(=O)N1CCN(C2CC[NH+](C)CC2)CC1 ZINC000082348087 185176879 /nfs/dbraw/zinc/17/68/79/185176879.db2.gz XFISUHHTMKDPQU-UHFFFAOYSA-N 1 0 317.433 1.547 10 0 DDAERO CC[C@H](C[NH3+])NS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000087386134 185223442 /nfs/dbraw/zinc/22/34/42/185223442.db2.gz FEZYVIDDCMODGV-MRVPVSSYSA-N 1 0 312.313 1.601 10 0 DDAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc2c(c1)[C@@H](C)C(=O)N2 ZINC000087404018 185223734 /nfs/dbraw/zinc/22/37/34/185223734.db2.gz NLNSLJDRWXQLRG-ZJUUUORDSA-N 1 0 311.407 1.148 10 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DDAERO C[NH2+][C@H](Cc1ccc(Br)cc1)[C@@H]1COCCO1 ZINC000087857643 185233518 /nfs/dbraw/zinc/23/35/18/185233518.db2.gz YYYLOSAMSCUCPB-OLZOCXBDSA-N 1 0 300.196 1.995 10 0 DDAERO CN(CC(F)(F)F)c1nc(NN)[nH+]cc1Br ZINC000087854827 185233603 /nfs/dbraw/zinc/23/36/03/185233603.db2.gz BWFDQBHKMSKJDM-UHFFFAOYSA-N 1 0 300.082 1.523 10 0 DDAERO [NH3+][C@H](Cc1ccc(F)cc1Br)[C@H]1COCCO1 ZINC000087857254 185233634 /nfs/dbraw/zinc/23/36/34/185233634.db2.gz YAARUYVQTZDNRR-VXGBXAGGSA-N 1 0 304.159 1.873 10 0 DDAERO O=C1C[NH2+]CCCN1CCOc1cccc(Br)c1 ZINC000087882231 185234390 /nfs/dbraw/zinc/23/43/90/185234390.db2.gz WHXCSMBXEWAGLY-UHFFFAOYSA-N 1 0 313.195 1.650 10 0 DDAERO Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H](O)CN1CCc2ccccc2C1 ZINC000180088838 539235384 /nfs/dbraw/zinc/23/53/84/539235384.db2.gz WURSGOMFUCXUTQ-GUYCJALGSA-N 1 0 314.433 1.788 10 0 DDAERO CCc1cc(Br)ccc1NS(=O)(=O)CC[NH3+] ZINC000088125419 185240001 /nfs/dbraw/zinc/24/00/01/185240001.db2.gz FKWJKWADACVXDL-UHFFFAOYSA-N 1 0 307.213 1.712 10 0 DDAERO CCOCc1ccccc1CNC(=O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183138354 539240997 /nfs/dbraw/zinc/24/09/97/539240997.db2.gz GSCMUVYSCHDDLV-YOEHRIQHSA-N 1 0 320.433 1.996 10 0 DDAERO CCc1ccc([C@H]([NH2+]C)[C@@H](C)S(=O)(=O)CC(=O)OC)cc1 ZINC000081976724 192348577 /nfs/dbraw/zinc/34/85/77/192348577.db2.gz HUYWFYIHKJXOLF-IAQYHMDHSA-N 1 0 313.419 1.486 10 0 DDAERO COc1ccccc1C[C@@H](C)N(C)S(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC000088244865 185243496 /nfs/dbraw/zinc/24/34/96/185243496.db2.gz KXOCFDNSHUKITN-TZMCWYRMSA-N 1 0 312.435 1.250 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)C(C)C ZINC000183668864 539242872 /nfs/dbraw/zinc/24/28/72/539242872.db2.gz MIYPQWLRORDKKI-OAHLLOKOSA-N 1 0 309.385 1.144 10 0 DDAERO CN[C@](C[NH+]1CCC(C(F)(F)F)CC1)(C(=O)OC)C1CC1 ZINC000088435457 185250569 /nfs/dbraw/zinc/25/05/69/185250569.db2.gz LEKOVXDRDUYLFQ-ZDUSSCGKSA-N 1 0 308.344 1.802 10 0 DDAERO CC[NH2+][C@H](Cc1nc2ccccc2o1)[C@@H]1CCS(=O)(=O)C1 ZINC000088518463 185254687 /nfs/dbraw/zinc/25/46/87/185254687.db2.gz VRPNTYMKFOULOC-DGCLKSJQSA-N 1 0 308.403 1.783 10 0 DDAERO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2n2ccnc2)o1 ZINC000088539143 185255401 /nfs/dbraw/zinc/25/54/01/185255401.db2.gz RDJLYOCGMGMHMM-RYUDHWBXSA-N 1 0 310.379 1.007 10 0 DDAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOC(C)(C)C2)o1 ZINC000088543955 185256694 /nfs/dbraw/zinc/25/66/94/185256694.db2.gz VHSQTPCNYLQKBH-UHFFFAOYSA-N 1 0 316.423 1.577 10 0 DDAERO CCC[C@@H](COC)NS(=O)(=O)c1ccc(C[NH2+]CC)o1 ZINC000088551325 185257720 /nfs/dbraw/zinc/25/77/20/185257720.db2.gz HODWTLIXAOTPLH-NSHDSACASA-N 1 0 304.412 1.483 10 0 DDAERO Cc1nn(C)c2sc(C(=O)N[C@H]3CCCC[C@@H]3[NH3+])c(N)c12 ZINC000088641334 185260917 /nfs/dbraw/zinc/26/09/17/185260917.db2.gz IGWMNXVHPMXQJI-IUCAKERBSA-N 1 0 307.423 1.525 10 0 DDAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1sc2nccnc2c1N ZINC000088643477 185261404 /nfs/dbraw/zinc/26/14/04/185261404.db2.gz RDDDESARZYWTMM-SECBINFHSA-N 1 0 305.407 1.297 10 0 DDAERO CN1C(=O)C[C@@H]([NH2+]C[C@@H](O)c2cc(Cl)ccc2Cl)C1=O ZINC000088778014 185265455 /nfs/dbraw/zinc/26/54/55/185265455.db2.gz SJLYDMLSKPITIC-GHMZBOCLSA-N 1 0 317.172 1.374 10 0 DDAERO C[NH2+]C[C@@H](Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000088790136 185265916 /nfs/dbraw/zinc/26/59/16/185265916.db2.gz RAARUGNXPYNJEP-VXGBXAGGSA-N 1 0 302.827 1.548 10 0 DDAERO CCCN(CC[NH+](C)C)S(=O)(=O)c1ccc(C)c(CO)c1 ZINC000088895133 185270076 /nfs/dbraw/zinc/27/00/76/185270076.db2.gz LLQPNBIHWLZHIZ-UHFFFAOYSA-N 1 0 314.451 1.450 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2Cc3ccccc32)C[C@@H]1C ZINC000248654382 539272442 /nfs/dbraw/zinc/27/24/42/539272442.db2.gz VVUPQFQACVYLOT-OFQRWUPVSA-N 1 0 317.433 1.423 10 0 DDAERO Cc1cccc(C[S@@](=O)[C@@H]2CC3(CC[C@@H]2[NH3+])OCCO3)c1 ZINC000081996699 192351928 /nfs/dbraw/zinc/35/19/28/192351928.db2.gz NYBJIKHTBNMNJQ-ZSDSOXJFSA-N 1 0 309.431 1.867 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)/C=C\c2ccnc(Cl)c2)CCO1 ZINC000254957649 282220782 /nfs/dbraw/zinc/22/07/82/282220782.db2.gz ROARELYDGLLGDR-SCOBNMCVSA-N 1 0 309.797 1.537 10 0 DDAERO CCCN(c1ccc(C(N)=O)c(C(F)(F)F)c1)C1C[NH2+]C1 ZINC000090294179 185290080 /nfs/dbraw/zinc/29/00/80/185290080.db2.gz UIZLMCGUFFEZIO-UHFFFAOYSA-N 1 0 301.312 1.993 10 0 DDAERO O=C(c1cc(Cl)cn1C1CC1)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308753 185290178 /nfs/dbraw/zinc/29/01/78/185290178.db2.gz BSQRQRORRGHLHQ-UHFFFAOYSA-N 1 0 308.813 1.206 10 0 DDAERO COc1cc(NC(=O)[C@@H]2COC[C@@H]2[NH3+])c(OC)cc1Cl ZINC000090378543 185293266 /nfs/dbraw/zinc/29/32/66/185293266.db2.gz DJYWJHRLSSMMEQ-APPZFPTMSA-N 1 0 300.742 1.269 10 0 DDAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1c1ccccc1S(=O)(=O)C(F)F ZINC000090328241 185291355 /nfs/dbraw/zinc/29/13/55/185291355.db2.gz ZUJYCXSACJDOQM-MXWKQRLJSA-N 1 0 316.373 1.727 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)N1CCCCCC1 ZINC000090336962 185291793 /nfs/dbraw/zinc/29/17/93/185291793.db2.gz ZMPSDHWFXBWWFG-OLZOCXBDSA-N 1 0 301.456 1.037 10 0 DDAERO Cc1ccc(F)c(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2(C)C)c1 ZINC000090336768 185291897 /nfs/dbraw/zinc/29/18/97/185291897.db2.gz CWGSXAUEOJCUCO-NEPJUHHUSA-N 1 0 312.410 1.753 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000090431547 185295882 /nfs/dbraw/zinc/29/58/82/185295882.db2.gz HSJTVIAAPGBJIP-NEPJUHHUSA-N 1 0 302.296 1.556 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(Cl)cc1C(=O)OC ZINC000090432921 185296365 /nfs/dbraw/zinc/29/63/65/185296365.db2.gz URKFBQLPHAVFDM-PWSUYJOCSA-N 1 0 312.753 1.300 10 0 DDAERO C[NH2+][C@H](C[S@](=O)CCCOC)c1ccc(OC)c(OC)c1 ZINC000081998455 192353852 /nfs/dbraw/zinc/35/38/52/192353852.db2.gz BMFHDRJLAJSMMN-ASSNKEHSSA-N 1 0 315.435 1.750 10 0 DDAERO C[C@@]1(C(=O)NCc2ccc(Br)s2)COC[C@@H]1[NH3+] ZINC000090595460 185305912 /nfs/dbraw/zinc/30/59/12/185305912.db2.gz RLRAGMQEAADDFG-GZMMTYOYSA-N 1 0 319.224 1.491 10 0 DDAERO C[C@]1(C(=O)Nc2c3nsnc3ccc2Cl)COC[C@@H]1[NH3+] ZINC000090605879 185306492 /nfs/dbraw/zinc/30/64/92/185306492.db2.gz KZFXDYOGDFGOBJ-UFBFGSQYSA-N 1 0 312.782 1.647 10 0 DDAERO CC(C)S(=O)(=O)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000090701088 185310376 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CCCC[C@H](C)NS(=O)(=O)c1ccc(OCC[NH3+])cc1 ZINC000089022413 192701545 /nfs/dbraw/zinc/70/15/45/192701545.db2.gz OJJKZCRUAWFQQP-LBPRGKRZSA-N 1 0 300.424 1.881 10 0 DDAERO CC(C)[NH2+]CCCN(C)S(=O)(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000089050826 192722049 /nfs/dbraw/zinc/72/20/49/192722049.db2.gz DKTMMJJFLWSEGC-KBPBESRZSA-N 1 0 305.488 1.672 10 0 DDAERO Cc1nn(C)c(C[C@@]2(C[NH3+])CCCC[C@H]2O)c1Br ZINC000089272845 192755495 /nfs/dbraw/zinc/75/54/95/192755495.db2.gz ZNUFAWYKKNGZSQ-DGCLKSJQSA-N 1 0 316.243 1.914 10 0 DDAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2nc(CN3CCOCC3)cs2)C1 ZINC000237884464 202379426 /nfs/dbraw/zinc/37/94/26/202379426.db2.gz IDEZYFMPTPWZAX-MNOVXSKESA-N 1 0 310.423 1.041 10 0 DDAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000261825922 283513928 /nfs/dbraw/zinc/51/39/28/283513928.db2.gz SYZSTGCFZDZZLW-WZRBSPASSA-N 1 0 307.419 1.123 10 0 DDAERO CCn1cc([C@@H]2CN(C(=O)NC3CC[NH+](C)CC3)CCO2)cn1 ZINC000190447475 200537393 /nfs/dbraw/zinc/53/73/93/200537393.db2.gz 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DDAERO O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262503792 203311448 /nfs/dbraw/zinc/31/14/48/203311448.db2.gz LBALBIDKIFPVGM-UFBFGSQYSA-N 1 0 303.189 1.375 10 0 DDAERO C[C@@H](C[NH+]1CCCCC1)Nc1ccc(S(N)(=O)=O)c(N)c1 ZINC000093198679 193214435 /nfs/dbraw/zinc/21/44/35/193214435.db2.gz URIFHRRVPZLYRA-NSHDSACASA-N 1 0 312.439 1.203 10 0 DDAERO C[NH2+][C@H](C(=O)N(C)c1ccc(OC)c(F)c1)c1cnn(C)c1 ZINC000262577871 203336249 /nfs/dbraw/zinc/33/62/49/203336249.db2.gz TZJXVIFBXBBVQS-AWEZNQCLSA-N 1 0 306.341 1.491 10 0 DDAERO COc1ccc(Br)cc1C[C@H]([NH3+])C(OC)OC ZINC000093304775 193227694 /nfs/dbraw/zinc/22/76/94/193227694.db2.gz GIUDKAVVGFFGNM-JTQLQIEISA-N 1 0 304.184 1.946 10 0 DDAERO C[C@H](Cc1cccs1)N(C)S(=O)(=O)C1CC[NH2+]CC1 ZINC000093292150 193225554 /nfs/dbraw/zinc/22/55/54/193225554.db2.gz JCGWZDQGPYNNAP-LLVKDONJSA-N 1 0 302.465 1.693 10 0 DDAERO COC(=O)[C@@]1([NH3+])CCC[C@@H]1CCn1ccc(C(F)(F)F)n1 ZINC000093598792 193272402 /nfs/dbraw/zinc/27/24/02/193272402.db2.gz 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/nfs/dbraw/zinc/30/56/35/193305635.db2.gz STRRNBLSKSLLMO-QMTHXVAHSA-N 1 0 305.407 1.208 10 0 DDAERO COC(=O)[C@]1([NH3+])CCC[C@H](Sc2ncnc3[nH]cnc32)C1 ZINC000093778988 193305792 /nfs/dbraw/zinc/30/57/92/193305792.db2.gz BELGEBYPJJAZKD-SDBXPKJASA-N 1 0 307.379 1.258 10 0 DDAERO Cc1cc(N)cc(C)c1S(=O)(=O)N[C@@H](C)C[NH+]1CCCC1 ZINC000093648594 193283223 /nfs/dbraw/zinc/28/32/23/193283223.db2.gz LGMDLYXEXRCBJJ-ZDUSSCGKSA-N 1 0 311.451 1.648 10 0 DDAERO CC1(C)C([NH3+])C(C)(C)C1NS(=O)(=O)CCc1ccccn1 ZINC000094006550 193338499 /nfs/dbraw/zinc/33/84/99/193338499.db2.gz GRSCELYLXGUPMR-UHFFFAOYSA-N 1 0 311.451 1.305 10 0 DDAERO CCOC(=O)[C@]1(NC(C)C)CC[C@@H]([N@H+](C)[C@@H](C)COC)C1 ZINC000093826630 193313301 /nfs/dbraw/zinc/31/33/01/193313301.db2.gz HVPZWIVBCBOUSO-LZWOXQAQSA-N 1 0 300.443 1.806 10 0 DDAERO COc1ccc2[nH]c(S[C@@H]3CC[C@@]([NH3+])(C(N)=O)C3)nc2c1 ZINC000093850567 193317839 /nfs/dbraw/zinc/31/78/39/193317839.db2.gz ZDXMAEGLBAVINH-OTYXRUKQSA-N 1 0 306.391 1.399 10 0 DDAERO CCCn1cc(S(=O)(=O)N(C)CC(C)(C)C[NH3+])nc1C ZINC000093873698 193321538 /nfs/dbraw/zinc/32/15/38/193321538.db2.gz MPAZXRYBRIUFEW-UHFFFAOYSA-N 1 0 302.444 1.207 10 0 DDAERO CCN(CC(C)(C)C[NH3+])S(=O)(=O)c1c[nH]c2ncccc12 ZINC000093878125 193322003 /nfs/dbraw/zinc/32/20/03/193322003.db2.gz HYGIUWMLGPSBJW-UHFFFAOYSA-N 1 0 310.423 1.558 10 0 DDAERO CCC[NH2+][C@H](c1cc(Cl)cnc1N)[C@H]1CN(C)CCN1C ZINC000093895766 193325973 /nfs/dbraw/zinc/32/59/73/193325973.db2.gz KFADTYHFPGQGIP-ZIAGYGMSSA-N 1 0 311.861 1.604 10 0 DDAERO C[C@@H]1CCCN(S(=O)(=O)N(CC2CC[NH2+]CC2)C2CC2)C1 ZINC000094024153 193339219 /nfs/dbraw/zinc/33/92/19/193339219.db2.gz PWUFDXKWLIVSQU-CYBMUJFWSA-N 1 0 315.483 1.427 10 0 DDAERO C[NH2+][C@@H](Cc1nc2ccccc2s1)[C@@H]1CN(C)CCN1C ZINC000094251579 193355363 /nfs/dbraw/zinc/35/53/63/193355363.db2.gz LCZIBFKFEVDYLK-KBPBESRZSA-N 1 0 304.463 1.673 10 0 DDAERO C[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N(C)CCS(C)(=O)=O ZINC000094297407 193356587 /nfs/dbraw/zinc/35/65/87/193356587.db2.gz JAGSLXIGEXULHU-GXFFZTMASA-N 1 0 304.843 1.705 10 0 DDAERO CCC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1N(C)CCS(C)(=O)=O ZINC000094298581 193358072 /nfs/dbraw/zinc/35/80/72/193358072.db2.gz HYBVVPBTWYZSNW-KGLIPLIRSA-N 1 0 304.500 1.910 10 0 DDAERO COC[C@@H]1CCN(c2nc(C(F)(F)F)ccc2C(N)=[NH2+])C1 ZINC000094336770 193361435 /nfs/dbraw/zinc/36/14/35/193361435.db2.gz LAAIRYQTGVUAQM-MRVPVSSYSA-N 1 0 302.300 1.857 10 0 DDAERO COCC[NH2+]Cc1cc(F)c(OCCS(C)(=O)=O)c(F)c1 ZINC000094348110 193363044 /nfs/dbraw/zinc/36/30/44/193363044.db2.gz ZYRGUBZFJMATKD-UHFFFAOYSA-N 1 0 323.361 1.124 10 0 DDAERO Cc1c(F)cc(N)cc1S(=O)(=O)N[C@H](C)C[NH+]1CCCC1 ZINC000094360264 193364872 /nfs/dbraw/zinc/36/48/72/193364872.db2.gz AHUAACNOAIWRIT-SNVBAGLBSA-N 1 0 315.414 1.479 10 0 DDAERO C[NH+](C)C[C@H]1C[C@@H](O)CN1C(=O)c1ccc(F)c(F)c1F ZINC000094184925 193347979 /nfs/dbraw/zinc/34/79/79/193347979.db2.gz XIYVFUUIJBWUBN-RKDXNWHRSA-N 1 0 302.296 1.241 10 0 DDAERO CC[C@](C)([NH3+])C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000094232595 193353205 /nfs/dbraw/zinc/35/32/05/193353205.db2.gz BROYSJYNVTUIQJ-LBPRGKRZSA-N 1 0 304.799 1.809 10 0 DDAERO C[NH+](C)C[C@H](NC(=O)[C@@](C)(N)C(F)(F)F)c1ccccc1 ZINC000094236551 193353860 /nfs/dbraw/zinc/35/38/60/193353860.db2.gz SNMUNBQODZKSAO-WCQYABFASA-N 1 0 303.328 1.685 10 0 DDAERO C[NH+](C)Cc1ccccc1CNC(=O)[C@](C)(N)C(F)(F)F ZINC000094237002 193353875 /nfs/dbraw/zinc/35/38/75/193353875.db2.gz VQPIIRICUKGDGQ-ZDUSSCGKSA-N 1 0 303.328 1.644 10 0 DDAERO Cc1ccc(O[C@H]2CCC[C@H](S(C)(=O)=O)C2)c(CC[NH3+])n1 ZINC000094643248 193388696 /nfs/dbraw/zinc/38/86/96/193388696.db2.gz XSKLHJRTTSSHGV-STQMWFEESA-N 1 0 312.435 1.626 10 0 DDAERO CC(C)(C)[NH2+]Cc1ncnn1[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094644065 193389381 /nfs/dbraw/zinc/38/93/81/193389381.db2.gz SHFCCXYRXKVXPL-NEPJUHHUSA-N 1 0 314.455 1.695 10 0 DDAERO C[NH2+]CCc1c(C)nn([C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1C ZINC000094644417 193389524 /nfs/dbraw/zinc/38/95/24/193389524.db2.gz YRRWBXAMMUTOEI-ZIAGYGMSSA-N 1 0 313.467 1.790 10 0 DDAERO Cc1nn([C@@H]2CCC[C@H](S(C)(=O)=O)C2)c(C)c1C[C@@H](C)[NH3+] ZINC000094644141 193389988 /nfs/dbraw/zinc/38/99/88/193389988.db2.gz NVDJCQYQBUURES-HONMWMINSA-N 1 0 313.467 1.918 10 0 DDAERO CCOCCOC1CCN(C(=O)[C@@H](C[NH3+])CC(C)C)CC1 ZINC000094698706 193391445 /nfs/dbraw/zinc/39/14/45/193391445.db2.gz JTNXBQHUENQTJS-CQSZACIVSA-N 1 0 300.443 1.652 10 0 DDAERO CCOC(=O)[C@H]1CSCCN1C(=O)[C@@H](C[NH3+])CC(C)C ZINC000094698432 193391763 /nfs/dbraw/zinc/39/17/63/193391763.db2.gz SBGOJCMRQJRZHV-VXGBXAGGSA-N 1 0 302.440 1.115 10 0 DDAERO O=S1(=O)CCC([NH2+][C@H]2CCOC3(CCSCC3)C2)CC1 ZINC000094367977 193366672 /nfs/dbraw/zinc/36/66/72/193366672.db2.gz WBLXDHIBPIYOQQ-ZDUSSCGKSA-N 1 0 319.492 1.598 10 0 DDAERO COCC[NH2+]CC[C@](C)(O)[C@H]1CCOC2(CCOCC2)C1 ZINC000094418789 193368459 /nfs/dbraw/zinc/36/84/59/193368459.db2.gz RSIHMDVQHJTGBP-GJZGRUSLSA-N 1 0 301.427 1.339 10 0 DDAERO Cc1nn(C)c(C[C@H]([NH3+])[C@H]2CSCCO2)c1Br ZINC000094502674 193374479 /nfs/dbraw/zinc/37/44/79/193374479.db2.gz APNOTRRSKWNMFL-WCBMZHEXSA-N 1 0 320.256 1.493 10 0 DDAERO CC[NH2+][C@@H](c1ccc(Cl)c(OC)c1)[C@H]1CN2CCN1CC2 ZINC000094510170 193375477 /nfs/dbraw/zinc/37/54/77/193375477.db2.gz OXXYCAWOMYZTQU-ZBFHGGJFSA-N 1 0 309.841 1.999 10 0 DDAERO COc1ccc(S(=O)(=O)N2C[C@H]([NH3+])C[C@H](C)C2)cc1OC ZINC000094550428 193379035 /nfs/dbraw/zinc/37/90/35/193379035.db2.gz ZOWKHUUYXJBMAI-WDEREUQCSA-N 1 0 314.407 1.062 10 0 DDAERO C[C@@H]1C[C@H]([NH3+])CN(c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000094553624 193379373 /nfs/dbraw/zinc/37/93/73/193379373.db2.gz WSRNGAFLVPSLAS-ZJUUUORDSA-N 1 0 304.362 1.856 10 0 DDAERO CC(=O)Nc1ccc(NC(=O)[C@H]2CC[C@H](C[NH3+])O2)cc1Cl ZINC000094566266 193380575 /nfs/dbraw/zinc/38/05/75/193380575.db2.gz UOMUVFUKOGTDNB-ZWNOBZJWSA-N 1 0 311.769 1.743 10 0 DDAERO Cc1cc(F)c(N)cc1S(=O)(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000094779684 193397458 /nfs/dbraw/zinc/39/74/58/193397458.db2.gz ZPQIPTQVSUFVLW-LLVKDONJSA-N 1 0 315.414 1.289 10 0 DDAERO COC(=O)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccc(F)cc1 ZINC000264976176 204316752 /nfs/dbraw/zinc/31/67/52/204316752.db2.gz IDWPRTGRAPYSJQ-KGLIPLIRSA-N 1 0 308.353 1.640 10 0 DDAERO COC(=O)[C@H](c1ccccc1)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246634502 284301073 /nfs/dbraw/zinc/30/10/73/284301073.db2.gz DFEDASXILHJENI-DZKIICNBSA-N 1 0 306.406 1.288 10 0 DDAERO CCNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH3+] ZINC000020483340 182223016 /nfs/dbraw/zinc/22/30/16/182223016.db2.gz FCZOWCQOUNOLBV-MRVPVSSYSA-N 1 0 301.184 1.811 10 0 DDAERO O=S1(=O)CC[C@H](C2(Cc3cc(F)cc(F)c3)C[NH2+]C2)C1 ZINC000097921558 193766438 /nfs/dbraw/zinc/76/64/38/193766438.db2.gz SVFPRMYQABTFJL-NSHDSACASA-N 1 0 301.358 1.532 10 0 DDAERO C[NH+](C)C1(CNc2nc(Cl)nc(-n3cccn3)n2)CCC1 ZINC000097935346 193768915 /nfs/dbraw/zinc/76/89/15/193768915.db2.gz NTGDQCJBCRWQOG-UHFFFAOYSA-N 1 0 307.789 1.607 10 0 DDAERO C[NH+](C)C1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1 ZINC000036192137 182808703 /nfs/dbraw/zinc/80/87/03/182808703.db2.gz LVYXOUUVEQDUTI-UHFFFAOYSA-N 1 0 309.844 1.511 10 0 DDAERO O[C@H](C[NH2+]CCN1CCOCC1)COc1ccc(Cl)cc1 ZINC000037852244 182932162 /nfs/dbraw/zinc/93/21/62/182932162.db2.gz RYBLUGNSTCFGPY-CQSZACIVSA-N 1 0 314.813 1.002 10 0 DDAERO O[C@H](C[NH2+][C@@H]1CN2CCC1CC2)COc1ccc(Cl)cc1 ZINC000037856992 182933011 /nfs/dbraw/zinc/93/30/11/182933011.db2.gz SFVWEKFRQKRQOG-GDBMZVCRSA-N 1 0 310.825 1.764 10 0 DDAERO CC[NH+](CC)CCN(CCOC)C(=O)[C@H]1CCCO[C@@H]1C ZINC000191285586 284618261 /nfs/dbraw/zinc/61/82/61/284618261.db2.gz BHNVLSCTLIMBNA-CABCVRRESA-N 1 0 300.443 1.618 10 0 DDAERO C[C@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)[C@H]1CCCO1 ZINC000333596406 249035808 /nfs/dbraw/zinc/03/58/08/249035808.db2.gz BNSRZFHBSFOORS-ARLBYUKCSA-N 1 0 303.406 1.690 10 0 DDAERO C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C[C@@H](C)O1 ZINC000333729776 249085631 /nfs/dbraw/zinc/08/56/31/249085631.db2.gz VYDNOSMNIRIWGF-LUYZLQTOSA-N 1 0 303.406 1.561 10 0 DDAERO COc1cc(Cl)c(NC(=O)[C@H]2C[C@H](OC)C[NH2+]2)cc1OC ZINC000040633175 183111512 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CCOc1ccc(Cl)cc1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000040861601 183143620 /nfs/dbraw/zinc/14/36/20/183143620.db2.gz OPBLNNIWWIPNCF-UHFFFAOYSA-N 1 0 319.814 1.301 10 0 DDAERO C[C@@H]1CN(S(=O)(=O)c2ccc(C[NH3+])s2)CC(C)(C)O1 ZINC000041681908 183216771 /nfs/dbraw/zinc/21/67/71/183216771.db2.gz AZNCHHMQCNPLBI-SECBINFHSA-N 1 0 304.437 1.395 10 0 DDAERO C[NH2+]Cc1cccc(Br)c1OCC(=O)N(C)C ZINC000042411543 183265277 /nfs/dbraw/zinc/26/52/77/183265277.db2.gz YRXGMEXMQCUAKB-UHFFFAOYSA-N 1 0 301.184 1.636 10 0 DDAERO CCC[NH2+]Cc1cccc(Br)c1OCC(N)=O ZINC000042411799 183265959 /nfs/dbraw/zinc/26/59/59/183265959.db2.gz UBKBXFVAPLZUCH-UHFFFAOYSA-N 1 0 301.184 1.813 10 0 DDAERO CC[NH2+]Cc1cccc(Br)c1OCC(=O)NC ZINC000042411705 183266162 /nfs/dbraw/zinc/26/61/62/183266162.db2.gz KXZKUACINZNNTO-UHFFFAOYSA-N 1 0 301.184 1.683 10 0 DDAERO CNC(=O)[C@H]1CCCCN1c1nc2sccn2c1C[NH2+]C ZINC000042424021 183268423 /nfs/dbraw/zinc/26/84/23/183268423.db2.gz LPGHQQZUBSLDLT-SNVBAGLBSA-N 1 0 307.423 1.220 10 0 DDAERO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CCO)C(C)C)cc1 ZINC000042481053 183275444 /nfs/dbraw/zinc/27/54/44/183275444.db2.gz NTJWWLJABMZNCO-ZDUSSCGKSA-N 1 0 314.451 1.749 10 0 DDAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)N(CCO)C1CCCCC1 ZINC000042526711 183280277 /nfs/dbraw/zinc/28/02/77/183280277.db2.gz HWIUXPBYIQPXMV-ZDUSSCGKSA-N 1 0 304.456 1.085 10 0 DDAERO COc1ccc([C@@H](Sc2nc(N)cc(N)n2)[C@@H](C)[NH3+])cc1 ZINC000042965232 183324357 /nfs/dbraw/zinc/32/43/57/183324357.db2.gz VCMLHZUCRCIVTP-OQPBUACISA-N 1 0 305.407 1.830 10 0 DDAERO CC[C@@H]([NH3+])[C@H](c1cccc(OC)c1)N1CCS(=O)(=O)CC1 ZINC000043026960 183331189 /nfs/dbraw/zinc/33/11/89/183331189.db2.gz HWKQUZUDRQVLCH-CABCVRRESA-N 1 0 312.435 1.204 10 0 DDAERO C[C@H]([NH3+])[C@@H](c1ccccc1Cl)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043051702 183332894 /nfs/dbraw/zinc/33/28/94/183332894.db2.gz ADFKYQWJSIETRV-WDMOLILDSA-N 1 0 316.854 1.847 10 0 DDAERO CCN([C@H](C)COC)S(=O)(=O)c1cccc2c1CC[NH2+]C2 ZINC000042781296 183308491 /nfs/dbraw/zinc/30/84/91/183308491.db2.gz BMXGFIAGYBGGQF-GFCCVEGCSA-N 1 0 312.435 1.378 10 0 DDAERO O=S(=O)(CC1CC[NH2+]CC1)N(CC(F)(F)F)C1CC1 ZINC000042782460 183308998 /nfs/dbraw/zinc/30/89/98/183308998.db2.gz NVTNPVRDUKWXMO-UHFFFAOYSA-N 1 0 300.346 1.343 10 0 DDAERO CC(=O)N1CCCN([C@@H](C[NH3+])c2ccc(Cl)s2)CC1 ZINC000043254128 183348311 /nfs/dbraw/zinc/34/83/11/183348311.db2.gz BYPYFEYJAJWXTF-NSHDSACASA-N 1 0 301.843 1.956 10 0 DDAERO [NH3+][C@H](c1cc2c(c(Cl)c1)OCO2)[C@H]1CCS(=O)(=O)C1 ZINC000043300084 183352823 /nfs/dbraw/zinc/35/28/23/183352823.db2.gz XMWVAZMLCRKJTG-CPCISQLKSA-N 1 0 303.767 1.503 10 0 DDAERO NC(=S)c1cc2c(nc1N[C@@H]1C[NH+]3CCC1CC3)CCC2 ZINC000043408351 183359482 /nfs/dbraw/zinc/35/94/82/183359482.db2.gz RGTYYQWFAWCJJU-CQSZACIVSA-N 1 0 302.447 1.711 10 0 DDAERO C[C@@H]([NH3+])[C@@H](Oc1ccc(S(C)(=O)=O)cc1)c1cccnc1 ZINC000043351293 183356519 /nfs/dbraw/zinc/35/65/19/183356519.db2.gz ONHPYNPAPXJPRZ-IAQYHMDHSA-N 1 0 306.387 1.952 10 0 DDAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043364508 183357545 /nfs/dbraw/zinc/35/75/45/183357545.db2.gz UOJDRDDVTNPUDA-DYEKYZERSA-N 1 0 300.424 1.485 10 0 DDAERO O=C(CSc1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000043403042 183358750 /nfs/dbraw/zinc/35/87/50/183358750.db2.gz VIYGLXYGLQOSJM-UHFFFAOYSA-N 1 0 315.236 1.973 10 0 DDAERO O=C(Nc1cc(Cl)ccc1-n1cccn1)[C@H]1C[NH2+]CCO1 ZINC000043709400 183382624 /nfs/dbraw/zinc/38/26/24/183382624.db2.gz XPWVIYXKDADCJX-CYBMUJFWSA-N 1 0 306.753 1.453 10 0 DDAERO CN(C)S(=O)(=O)c1ccc(-c2c[nH]c(CCC[NH3+])n2)cc1 ZINC000044493875 183414163 /nfs/dbraw/zinc/41/41/63/183414163.db2.gz PNQFCEFEBCOKFH-UHFFFAOYSA-N 1 0 308.407 1.218 10 0 DDAERO CC(C)[NH2+][C@](C)(CCCn1cc(Br)cn1)C(N)=O ZINC000045437197 183507797 /nfs/dbraw/zinc/50/77/97/183507797.db2.gz GSCWBWVAOXUBDJ-GFCCVEGCSA-N 1 0 317.231 1.668 10 0 DDAERO COC[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cccc(C(=O)N(C)C)c1 ZINC000284548678 218072563 /nfs/dbraw/zinc/07/25/63/218072563.db2.gz GMSYZTOZKKAZEX-HOTGVXAUSA-N 1 0 306.406 1.624 10 0 DDAERO COC[C@H](C)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000104923888 194053838 /nfs/dbraw/zinc/05/38/38/194053838.db2.gz QJOLGDBUCXVOFT-AWEZNQCLSA-N 1 0 320.433 1.542 10 0 DDAERO Cc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1C(N)=O ZINC000105033760 194065937 /nfs/dbraw/zinc/06/59/37/194065937.db2.gz RRCWRSMEYNTBPJ-AWEZNQCLSA-N 1 0 316.405 1.796 10 0 DDAERO CCN(CC)C(=O)CCCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105145513 194079705 /nfs/dbraw/zinc/07/97/05/194079705.db2.gz AFQAKVYMFXBTFF-HNNXBMFYSA-N 1 0 324.469 1.515 10 0 DDAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCN1C(=O)CCC1=O ZINC000105895722 194161456 /nfs/dbraw/zinc/16/14/56/194161456.db2.gz KGAMOAWBTFAUEA-ZDUSSCGKSA-N 1 0 304.394 1.323 10 0 DDAERO CCCCNC(=O)NC(=O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886565 194156610 /nfs/dbraw/zinc/15/66/10/194156610.db2.gz ROWMZOWUYVAVBO-UHFFFAOYSA-N 1 0 321.425 1.221 10 0 DDAERO FC(F)(F)COCCC[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000105890665 194158834 /nfs/dbraw/zinc/15/88/34/194158834.db2.gz GPDVOIHQZNYUPD-LBPRGKRZSA-N 1 0 307.316 1.553 10 0 DDAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2cccc(C(=O)NCC(C)C)c2)C1 ZINC000339082775 250284744 /nfs/dbraw/zinc/28/47/44/250284744.db2.gz WWHMKNKTJSQUER-IRXDYDNUSA-N 1 0 320.433 1.654 10 0 DDAERO COCc1ccccc1C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000285088082 218285666 /nfs/dbraw/zinc/28/56/66/218285666.db2.gz DKXHQECFDSVLMT-CVEARBPZSA-N 1 0 304.390 1.378 10 0 DDAERO C[NH+](C)C[C@H]1CN([C@@H]2CCN(c3ccccc3)C2=O)CCO1 ZINC000109329518 194258072 /nfs/dbraw/zinc/25/80/72/194258072.db2.gz UPYDKGYFVGDRBQ-JKSUJKDBSA-N 1 0 303.406 1.054 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000109466612 194266486 /nfs/dbraw/zinc/26/64/86/194266486.db2.gz FYAXIMSITZZVRL-LLVKDONJSA-N 1 0 300.472 1.567 10 0 DDAERO CC[C@H]([NH2+]C)c1cccc(S(=O)(=O)N[C@@H]2CCCOC2)c1 ZINC000109550569 194273005 /nfs/dbraw/zinc/27/30/05/194273005.db2.gz ZTKCJQMJWZSDRI-HIFRSBDPSA-N 1 0 312.435 1.814 10 0 DDAERO CC[C@@H](C(N)=S)[NH+]1CCN(Cc2ccc(OC)cc2)CC1 ZINC000109469526 194267295 /nfs/dbraw/zinc/26/72/95/194267295.db2.gz ZLQZRFDCAUXRBK-HNNXBMFYSA-N 1 0 307.463 1.878 10 0 DDAERO CCCNS(=O)(=O)c1ccccc1OCC[NH2+]C(C)C ZINC000051871717 183839872 /nfs/dbraw/zinc/83/98/72/183839872.db2.gz IXMSISIOISCJST-UHFFFAOYSA-N 1 0 300.424 1.752 10 0 DDAERO CCC[NH2+]C[C@@H](CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000052951058 183881597 /nfs/dbraw/zinc/88/15/97/183881597.db2.gz OJINJXYMIBRCSC-LSDHHAIUSA-N 1 0 303.468 1.854 10 0 DDAERO C[C@H]1CN(c2ncc(Br)cc2CO)CC[N@@H+]1C ZINC000110733152 194355034 /nfs/dbraw/zinc/35/50/34/194355034.db2.gz PNGRAGWVJTWESR-VIFPVBQESA-N 1 0 300.200 1.477 10 0 DDAERO C[NH2+][C@H](C)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000054073219 183923163 /nfs/dbraw/zinc/92/31/63/183923163.db2.gz JZWWRURGZAKVQO-SSDOTTSWSA-N 1 0 315.167 1.767 10 0 DDAERO CC[C@H]1CN(C(=O)Cc2ccc(C(N)=S)cc2)CC[N@@H+]1C ZINC000110753216 194356333 /nfs/dbraw/zinc/35/63/33/194356333.db2.gz PVJUOXFISWBBDG-AWEZNQCLSA-N 1 0 305.447 1.416 10 0 DDAERO CN(C)S(=O)(=O)c1ccc(NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000110792954 194358985 /nfs/dbraw/zinc/35/89/85/194358985.db2.gz IFQOQXYIFJMGME-ZDUSSCGKSA-N 1 0 311.451 1.739 10 0 DDAERO NC(=S)C[NH+]1CCC(NC(=O)Cc2cccc(F)c2)CC1 ZINC000110825652 194362141 /nfs/dbraw/zinc/36/21/41/194362141.db2.gz COSGAJYRGHRWDA-UHFFFAOYSA-N 1 0 309.410 1.235 10 0 DDAERO CCCN(c1ccccc1S(=O)(=O)NC)[C@@H]1CCC[NH2+]C1 ZINC000110947829 194373060 /nfs/dbraw/zinc/37/30/60/194373060.db2.gz JJXKWWSYOVYVFM-CYBMUJFWSA-N 1 0 311.451 1.563 10 0 DDAERO [NH3+]CCc1nc2ccccc2n1CC(=O)NCC(F)(F)F ZINC000110948910 194373333 /nfs/dbraw/zinc/37/33/33/194373333.db2.gz ZVTIQIYEWYSQIU-UHFFFAOYSA-N 1 0 300.284 1.216 10 0 DDAERO COc1ccc([C@@H](SCCS(C)(=O)=O)[C@H](C)[NH3+])cc1 ZINC000111003931 194380167 /nfs/dbraw/zinc/38/01/67/194380167.db2.gz NJCHJBDFMFLHQQ-GWCFXTLKSA-N 1 0 303.449 1.861 10 0 DDAERO O=C1CC[C@H]([NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)CN1 ZINC000111021036 194384271 /nfs/dbraw/zinc/38/42/71/194384271.db2.gz SPXHHAUPXFOQBJ-RYUDHWBXSA-N 1 0 302.296 1.607 10 0 DDAERO O=C1CC[C@@H]([NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)CN1 ZINC000111021030 194384479 /nfs/dbraw/zinc/38/44/79/194384479.db2.gz SPXHHAUPXFOQBJ-NEPJUHHUSA-N 1 0 302.296 1.607 10 0 DDAERO CC[C@H](CC[NH3+])N1CCCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000111071305 194388639 /nfs/dbraw/zinc/38/86/39/194388639.db2.gz BSSIRVVHUABCTQ-CYBMUJFWSA-N 1 0 305.488 1.250 10 0 DDAERO CCCN[C@@](C)(CCN(C)CCC[NH+](C)C)C(=O)OCC ZINC000111145349 194395296 /nfs/dbraw/zinc/39/52/96/194395296.db2.gz IXJWTECBZJHDRN-INIZCTEOSA-N 1 0 301.475 1.581 10 0 DDAERO C[N@H+](C[C@H](O)c1ccc(C(N)=S)cc1)C[C@@H]1CCCOC1 ZINC000111163079 194397988 /nfs/dbraw/zinc/39/79/88/194397988.db2.gz KNFYOKMYYMOMHD-WFASDCNBSA-N 1 0 308.447 1.713 10 0 DDAERO CC[NH2+][C@H](Cc1cc(Cl)ccc1OC)CS(C)(=O)=O ZINC000060706035 184154427 /nfs/dbraw/zinc/15/44/27/184154427.db2.gz POTPTFBKLHUBTN-GFCCVEGCSA-N 1 0 305.827 1.914 10 0 DDAERO C[C@H](Cc1cccc(Cl)c1)NC(=O)CN1CCC[NH2+]CC1 ZINC000061270675 184167042 /nfs/dbraw/zinc/16/70/42/184167042.db2.gz TXNFTWYRDCSALD-CYBMUJFWSA-N 1 0 309.841 1.683 10 0 DDAERO CCNc1cc(C(=O)NCC[N@H+](C)CCOC)cc(Cl)n1 ZINC000061401196 184170151 /nfs/dbraw/zinc/17/01/51/184170151.db2.gz FODWYFBKBAIYBX-UHFFFAOYSA-N 1 0 314.817 1.475 10 0 DDAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Br)cn1 ZINC000061864048 184190292 /nfs/dbraw/zinc/19/02/92/184190292.db2.gz TUIRNGQWXIMHIL-FGWVZKOKSA-N 1 0 310.195 1.938 10 0 DDAERO CC[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C)c1cccc(OC)c1 ZINC000061592616 184175716 /nfs/dbraw/zinc/17/57/16/184175716.db2.gz HUBBSLNKYSILRD-VXGBXAGGSA-N 1 0 308.407 1.688 10 0 DDAERO CCn1c(S[C@H](c2cccc(OC)c2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594263 184176024 /nfs/dbraw/zinc/17/60/24/184176024.db2.gz IJQAVJZEEPNRAU-SKDRFNHKSA-N 1 0 308.407 1.781 10 0 DDAERO NC(=S)[C@@H](C(=O)N[C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000061615817 184178729 /nfs/dbraw/zinc/17/87/29/184178729.db2.gz HREBVAZERWIMFW-KBPBESRZSA-N 1 0 303.431 1.267 10 0 DDAERO [NH3+]CCCCS(=O)(=O)NCc1ccccc1C(F)(F)F ZINC000061626660 184179127 /nfs/dbraw/zinc/17/91/27/184179127.db2.gz HXWRTNLXRALIMS-UHFFFAOYSA-N 1 0 310.341 1.864 10 0 DDAERO C[C@@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000061950875 184198423 /nfs/dbraw/zinc/19/84/23/184198423.db2.gz XKCPCXRAHJBJFD-SRVKXCTJSA-N 1 0 307.360 1.456 10 0 DDAERO [NH3+]C[C@@H]1CCC[C@H](C(=O)N2CCN(CC(F)(F)F)CC2)C1 ZINC000061951190 184198457 /nfs/dbraw/zinc/19/84/57/184198457.db2.gz VLTRJRGITDJPIZ-NEPJUHHUSA-N 1 0 307.360 1.458 10 0 DDAERO [NH3+]C[C@H]1CCC[C@@H](C(=O)N2CCN(CC(F)(F)F)CC2)C1 ZINC000061951187 184198469 /nfs/dbraw/zinc/19/84/69/184198469.db2.gz VLTRJRGITDJPIZ-NWDGAFQWSA-N 1 0 307.360 1.458 10 0 DDAERO CC(C)(C)[C@@H]1CC[C@H](O)[C@H]([NH+]2CCN(S(C)(=O)=O)CC2)C1 ZINC000062085853 184204872 /nfs/dbraw/zinc/20/48/72/184204872.db2.gz GDYPPFASIYCZHA-MCIONIFRSA-N 1 0 318.483 1.139 10 0 DDAERO CC[NH+](CC)CCOCCNC(=O)CCC(=O)c1cccnc1 ZINC000062272490 184227008 /nfs/dbraw/zinc/22/70/08/184227008.db2.gz VJHRNDYYDYDPFU-UHFFFAOYSA-N 1 0 321.421 1.519 10 0 DDAERO C[C@@H]([NH3+])Cc1ccc(OCCC(N)=O)c(Br)c1 ZINC000062704465 184248728 /nfs/dbraw/zinc/24/87/28/184248728.db2.gz RCUAWWMMEQPGEL-MRVPVSSYSA-N 1 0 301.184 1.593 10 0 DDAERO CC[C@H]([NH3+])Cc1ccc(OCCC(N)=O)c(Br)c1 ZINC000062705268 184248877 /nfs/dbraw/zinc/24/88/77/184248877.db2.gz IMZFFYFIGQGBQA-JTQLQIEISA-N 1 0 315.211 1.983 10 0 DDAERO COCC[NH2+]Cc1c(N2CCOC[C@H]2C)nc2sccn12 ZINC000062735813 184251251 /nfs/dbraw/zinc/25/12/51/184251251.db2.gz NBPRHHYWTSHVPM-LLVKDONJSA-N 1 0 310.423 1.357 10 0 DDAERO C[C@@H](Cc1ccco1)[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000062772023 184253216 /nfs/dbraw/zinc/25/32/16/184253216.db2.gz OYKWRIAYZGBBMT-LBPRGKRZSA-N 1 0 308.403 1.690 10 0 DDAERO C[NH2+][C@@H]1COc2cc(OCC(=O)NCC(F)(F)F)ccc21 ZINC000062804135 184253803 /nfs/dbraw/zinc/25/38/03/184253803.db2.gz LQHVWVZHCZRVMO-SNVBAGLBSA-N 1 0 304.268 1.397 10 0 DDAERO CNS(=O)(=O)c1ccc(NC[C@H]([NH3+])c2ccccc2)cc1 ZINC000062838569 184255830 /nfs/dbraw/zinc/25/58/30/184255830.db2.gz IXZYTJLGINGOHI-HNNXBMFYSA-N 1 0 305.403 1.707 10 0 DDAERO CCCCN(C(=O)[C@@]1(C)CCC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000062856610 184256839 /nfs/dbraw/zinc/25/68/39/184256839.db2.gz PBKNIVZYCKRMIE-HIFRSBDPSA-N 1 0 316.467 1.192 10 0 DDAERO CC[C@@]1(C(=O)Nc2ccc(S(=O)(=O)CC)cc2)CC[NH2+]C1 ZINC000062892419 184258392 /nfs/dbraw/zinc/25/83/92/184258392.db2.gz LKSKHPYMUZDKJM-OAHLLOKOSA-N 1 0 310.419 1.808 10 0 DDAERO C[NH+](C)[C@@H]1CCN(CCC(=O)Nc2cc(Cl)ccc2N)C1 ZINC000062963775 184263069 /nfs/dbraw/zinc/26/30/69/184263069.db2.gz RDOKQEGNYOJSDV-GFCCVEGCSA-N 1 0 310.829 1.887 10 0 DDAERO CCCNc1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000062984581 184264690 /nfs/dbraw/zinc/26/46/90/184264690.db2.gz XYOYZDAITBIDSY-CQSZACIVSA-N 1 0 311.451 1.833 10 0 DDAERO CNc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000062984647 184264934 /nfs/dbraw/zinc/26/49/34/184264934.db2.gz KUHLMQMAXNFJRY-CQSZACIVSA-N 1 0 309.435 1.587 10 0 DDAERO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cc(N)cs1 ZINC000063120311 184271491 /nfs/dbraw/zinc/27/14/91/184271491.db2.gz BYLGQCJSGVICTR-UHFFFAOYSA-N 1 0 303.453 1.293 10 0 DDAERO CN(CC1CC[NH+](C)CC1)c1ccc(S(C)(=O)=O)cc1N ZINC000063120460 184271852 /nfs/dbraw/zinc/27/18/52/184271852.db2.gz UZNVJOSMOFARNJ-UHFFFAOYSA-N 1 0 311.451 1.450 10 0 DDAERO O=C1C[C@H]([NH2+]CCc2nccs2)C(=O)N1c1ccccc1 ZINC000063134096 184272929 /nfs/dbraw/zinc/27/29/29/184272929.db2.gz WSGFFXIISOOPHG-LBPRGKRZSA-N 1 0 301.371 1.607 10 0 DDAERO COCCCNC(=O)c1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000066152663 184393441 /nfs/dbraw/zinc/39/34/41/184393441.db2.gz VNVPRNYUYOQMHZ-CQSZACIVSA-N 1 0 319.405 1.391 10 0 DDAERO CC[C@H](C)Oc1cc(CNC(=O)[C@H]([NH3+])CCSC)ccn1 ZINC000158239626 197256294 /nfs/dbraw/zinc/25/62/94/197256294.db2.gz SXJHNJATWNWTIR-WCQYABFASA-N 1 0 311.451 1.956 10 0 DDAERO CCC[C@H](C(=O)NCCOc1cc(OC)cc(OC)c1)[NH+](C)C ZINC000156201327 197094122 /nfs/dbraw/zinc/09/41/22/197094122.db2.gz FHQAEXLSQAIWJI-MRXNPFEDSA-N 1 0 324.421 1.929 10 0 DDAERO Cc1cc(F)cc(C)c1S(=O)(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000262739226 291914468 /nfs/dbraw/zinc/91/44/68/291914468.db2.gz BGLNBKUMURYSBP-RYUDHWBXSA-N 1 0 300.399 1.813 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2ccc(F)c(F)c2)C[C@@H]1C ZINC000120680575 195216071 /nfs/dbraw/zinc/21/60/71/195216071.db2.gz IPKIGMBRBVEKTM-NWDGAFQWSA-N 1 0 312.360 1.421 10 0 DDAERO COCC[N@@H+]1CCN(Cc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC000120831150 195246107 /nfs/dbraw/zinc/24/61/07/195246107.db2.gz ALXZTKOWQUMIBG-AWEZNQCLSA-N 1 0 308.422 1.856 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(-n2ccnn2)cc1 ZINC000120771941 195234988 /nfs/dbraw/zinc/23/49/88/195234988.db2.gz XGLPLDFEKJPHAA-MRXNPFEDSA-N 1 0 313.405 1.824 10 0 DDAERO C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@@H]1OCCN2Cc1ccccn1 ZINC000248051693 257110048 /nfs/dbraw/zinc/11/00/48/257110048.db2.gz XPSJVVLFIAESIP-CGTJXYLNSA-N 1 0 319.449 1.639 10 0 DDAERO O=C([C@@H]1C[C@@H]2OCC[C@@H]2[N@H+](Cc2ccco2)C1)N1CCCCO1 ZINC000247796854 257117136 /nfs/dbraw/zinc/11/71/36/257117136.db2.gz RZSYRWPLFGBLIB-KBMXLJTQSA-N 1 0 320.389 1.813 10 0 DDAERO O=C(C[C@@H]1OC[C@@H]2C[N@@H+](C3CCOCC3)CC[C@H]12)N1CCCO1 ZINC000247759108 257118292 /nfs/dbraw/zinc/11/82/92/257118292.db2.gz GDBJMQRCLZUTRM-BPUTZDHNSA-N 1 0 324.421 1.056 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)Nc1cccc(Br)c1 ZINC000414666252 224370432 /nfs/dbraw/zinc/37/04/32/224370432.db2.gz GAZPNIQLXZITBK-LDYMZIIASA-N 1 0 314.183 1.151 10 0 DDAERO CC(C)[N@H+]1C[C@H](NC(=O)N(C)CCCn2ccnc2)[C@@H](C)C1 ZINC000121810615 195352500 /nfs/dbraw/zinc/35/25/00/195352500.db2.gz DMPBIQNFVXKZOA-GJZGRUSLSA-N 1 0 307.442 1.643 10 0 DDAERO CC(=O)NCc1ccc(NC(=O)[C@@H]([NH3+])C2CCOCC2)cc1 ZINC000261640869 407565501 /nfs/dbraw/zinc/56/55/01/407565501.db2.gz DMWVLPQBWUDPTE-HNNXBMFYSA-N 1 0 305.378 1.015 10 0 DDAERO CCO[C@H]1C[C@@H]([NH2+]CCCNC(=O)C(C)C)C12CCOCC2 ZINC000186434190 286492079 /nfs/dbraw/zinc/49/20/79/286492079.db2.gz OCNKPPCTRYOZER-CABCVRRESA-N 1 0 312.454 1.713 10 0 DDAERO C[NH2+]Cc1ccc(C(=O)c2csc(S(N)(=O)=O)c2)cc1 ZINC000000002601 406615527 /nfs/dbraw/zinc/61/55/27/406615527.db2.gz QXSQQXVSAYRGGL-UHFFFAOYSA-N 1 0 310.400 1.346 10 0 DDAERO [NH3+][C@@H]1CCN(c2cc(-c3nc(-c4cccnc4)no3)ccn2)C1 ZINC000070458229 406816846 /nfs/dbraw/zinc/81/68/46/406816846.db2.gz SRLCWFQTYIHBNT-CYBMUJFWSA-N 1 0 308.345 1.731 10 0 DDAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2cc(Br)cs2)C1 ZINC000071308589 406837857 /nfs/dbraw/zinc/83/78/57/406837857.db2.gz KDTRUABBBPJOQT-PSASIEDQSA-N 1 0 319.224 1.504 10 0 DDAERO COC(=O)[C@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000084963565 407096456 /nfs/dbraw/zinc/09/64/56/407096456.db2.gz GPIPKUPMISXHTO-HOTGVXAUSA-N 1 0 307.390 1.449 10 0 DDAERO O=C1NCCC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000050394846 407130393 /nfs/dbraw/zinc/13/03/93/407130393.db2.gz FVYQNYKDWYDCCX-GFCCVEGCSA-N 1 0 310.781 1.870 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(-n2cnnc2)cc1 ZINC000066632225 407255952 /nfs/dbraw/zinc/25/59/52/407255952.db2.gz RGHDRHSJPQUQMU-OAHLLOKOSA-N 1 0 315.421 1.973 10 0 DDAERO Cn1ccnc1C[NH2+]C[C@H]1Cn2cc(-c3ccccc3)nc2CO1 ZINC000096269376 407257922 /nfs/dbraw/zinc/25/79/22/407257922.db2.gz JZYRZFUOSGDSKM-HNNXBMFYSA-N 1 0 323.400 1.972 10 0 DDAERO COc1c(CN2CCC([N@H+](C)CCCO)CC2)c(C)nn1C ZINC000093412874 407197506 /nfs/dbraw/zinc/19/75/06/407197506.db2.gz KYKNGVSKNOXHHV-UHFFFAOYSA-N 1 0 310.442 1.016 10 0 DDAERO COc1c(C[N@H+](C)CC(C)(C)CN2CCOCC2)c(C)nn1C ZINC000093769663 407201776 /nfs/dbraw/zinc/20/17/76/407201776.db2.gz VPNZEMCCBJRJMM-UHFFFAOYSA-N 1 0 324.469 1.527 10 0 DDAERO Cc1cc(C)c([C@H]2[NH2+]CCc3nc[nH]c32)cc1Cn1cncn1 ZINC000067948051 407291898 /nfs/dbraw/zinc/29/18/98/407291898.db2.gz SKLGGRGBKQVYRD-MRXNPFEDSA-N 1 0 308.389 1.901 10 0 DDAERO CC(=O)c1cccc(S(=O)(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)c1 ZINC000124029543 407346449 /nfs/dbraw/zinc/34/64/49/407346449.db2.gz WHTUPFRBFZFSEK-NHYWBVRUSA-N 1 0 310.419 1.460 10 0 DDAERO COC[C@H](C)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000103379291 407337675 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DDAERO C[C@H]([NH3+])C(=O)Nc1ccc(CO)c(I)c1 ZINC000584648593 337380346 /nfs/dbraw/zinc/38/03/46/337380346.db2.gz OQSYBRRTKSCNNG-LURJTMIESA-N 1 0 320.130 1.069 10 0 DDAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CCN(Cc2ccsc2)CC1 ZINC000089455603 484010421 /nfs/dbraw/zinc/01/04/21/484010421.db2.gz JMOJQYLXUFHHPM-CABCVRRESA-N 1 0 307.463 1.767 10 0 DDAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2 ZINC000136338559 484034825 /nfs/dbraw/zinc/03/48/25/484034825.db2.gz NCGRYLRSGJBOOF-VIFPVBQESA-N 1 0 311.769 1.983 10 0 DDAERO CCOCC[N@@H+]1CCN(c2ncnc3onc(C)c32)C[C@H]1C ZINC000249290302 484239557 /nfs/dbraw/zinc/23/95/57/484239557.db2.gz PNRYWVWCNZMXJY-LLVKDONJSA-N 1 0 305.382 1.473 10 0 DDAERO COc1ccc(CCNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c(OC)c1 ZINC000261797451 484256728 /nfs/dbraw/zinc/25/67/28/484256728.db2.gz QOZXMMCRKJRPMZ-UKRRQHHQSA-N 1 0 306.406 1.738 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cccc(-c2cscn2)c1 ZINC000262217414 484265773 /nfs/dbraw/zinc/26/57/73/484265773.db2.gz JGGONCMLLLJTOQ-TZMCWYRMSA-N 1 0 303.387 1.120 10 0 DDAERO CC(C)(Cc1cccc(Cl)c1)C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262323904 484269073 /nfs/dbraw/zinc/26/90/73/484269073.db2.gz RPLSTHOEMYAHPK-TZMCWYRMSA-N 1 0 310.825 1.605 10 0 DDAERO O=C(Cc1csc(-c2cccs2)n1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262351651 484269119 /nfs/dbraw/zinc/26/91/19/484269119.db2.gz UNISMQLVXMXWDU-GXSJLCMTSA-N 1 0 323.443 1.111 10 0 DDAERO Cc1nc(C)c(Br)c(N2CCO[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000663240867 484762104 /nfs/dbraw/zinc/76/21/04/484762104.db2.gz DDYFOPAJZZLYBH-VHSXEESVSA-N 1 0 313.199 1.033 10 0 DDAERO Cc1nn(C)c(C)c1CN1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000119421270 490604897 /nfs/dbraw/zinc/60/48/97/490604897.db2.gz RPJJQWOVLUTWMB-IAGOWNOFSA-N 1 0 306.454 1.458 10 0 DDAERO Cc1ccc(-c2nc(CNC[C@@H]3CCC[NH2+]C3)cc(=O)[nH]2)cc1 ZINC000073696022 525797041 /nfs/dbraw/zinc/79/70/41/525797041.db2.gz IYHCPOJYKXWHAH-CQSZACIVSA-N 1 0 312.417 1.835 10 0 DDAERO Cc1nc(-c2cnn(C)c2)sc1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000157681058 526622700 /nfs/dbraw/zinc/62/27/00/526622700.db2.gz SNXIGQBHXAPGHN-JQWIXIFHSA-N 1 0 319.434 1.709 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NCc2c(Br)cnn2C)C1 ZINC000336693919 535539785 /nfs/dbraw/zinc/53/97/85/535539785.db2.gz IBZAAOHOZHEQJK-SNVBAGLBSA-N 1 0 301.232 1.757 10 0 DDAERO CO[C@H]1C=C[C@@]23c4cc5c(cc4C[N@@H+](C[C@@H]2O)[C@H]3C1)OCO5 ZINC000004097647 560123196 /nfs/dbraw/zinc/12/31/96/560123196.db2.gz YGPRSGKVLATIHT-SPOWBLRKSA-N 1 0 301.342 1.187 10 0 biogenic,in-vitro DDAERO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Cl)nc1Cl ZINC000178964591 697431746 /nfs/dbraw/zinc/43/17/46/697431746.db2.gz BNSAEFFTXKRQFS-YUMQZZPRSA-N 1 0 324.233 1.794 10 0 DDAERO C[NH+](C)C[C@@H](NC(=O)CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000123271226 696730240 /nfs/dbraw/zinc/73/02/40/696730240.db2.gz MUBPHYSNFUOUFF-CQSZACIVSA-N 1 0 321.421 1.930 10 0 DDAERO COC(=O)N[C@@H](C(=O)NC[C@@H](CC(C)C)[NH+](C)C)C(C)C ZINC000108462848 696634011 /nfs/dbraw/zinc/63/40/11/696634011.db2.gz UCIGUNJRIJGRBB-CHWSQXEVSA-N 1 0 301.431 1.460 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](O)c1cccc(OC)c1 ZINC000120403620 696695185 /nfs/dbraw/zinc/69/51/85/696695185.db2.gz RYPSJRUSMQINED-GDBMZVCRSA-N 1 0 306.406 1.671 10 0 DDAERO [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000124531010 696743456 /nfs/dbraw/zinc/74/34/56/696743456.db2.gz KZTPDGZMXVBXNX-IUODEOHRSA-N 1 0 320.418 1.278 10 0 DDAERO COCCC[N@H+](C)CCNS(=O)(=O)/C=C/c1ccccc1 ZINC000173430827 697378397 /nfs/dbraw/zinc/37/83/97/697378397.db2.gz WGWILCQDKWQCEZ-NTEUORMPSA-N 1 0 312.435 1.545 10 0 DDAERO CC(C)CC(=O)N1CCC(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000236597097 697796562 /nfs/dbraw/zinc/79/65/62/697796562.db2.gz BTEFSAKDPZDEIY-KGLIPLIRSA-N 1 0 309.454 1.657 10 0 DDAERO CC[C@@]1(C(C)C)NC(=O)N(CN2CC[N@@H+]3CCC[C@H]3C2)C1=O ZINC000247024457 698359823 /nfs/dbraw/zinc/35/98/23/698359823.db2.gz JTFRIJKQMNWCPV-BBRMVZONSA-N 1 0 308.426 1.081 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cn1nnn(C(C)(C)C)c1=S ZINC000247057502 698360069 /nfs/dbraw/zinc/36/00/69/698360069.db2.gz LUBUVWMYPFXINO-RYUDHWBXSA-N 1 0 310.471 1.690 10 0 DDAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000261652689 698431296 /nfs/dbraw/zinc/43/12/96/698431296.db2.gz DMJPBLCFRGFCAU-QMMMGPOBSA-N 1 0 312.313 1.471 10 0 DDAERO COc1ccccc1[C@@H](NC(=O)C[C@H](C)[NH3+])c1noc(C)n1 ZINC000261821806 698439699 /nfs/dbraw/zinc/43/96/99/698439699.db2.gz IGDWMTXEUCWGGK-LKFCYVNXSA-N 1 0 304.350 1.330 10 0 DDAERO CCS(=O)(=O)Nc1ccc(NC(=O)C[C@@H](C)[NH3+])cc1OC ZINC000261929270 698445344 /nfs/dbraw/zinc/44/53/44/698445344.db2.gz YSAVEMJNIBNFOW-SECBINFHSA-N 1 0 315.395 1.133 10 0 DDAERO C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)N1CCCC[C@H]1C ZINC000262008553 698450599 /nfs/dbraw/zinc/45/05/99/698450599.db2.gz VGYXHUNYGRCYQO-DUQPFJRNSA-N 1 0 309.498 1.996 10 0 DDAERO [NH3+]C1(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)CCOCC1 ZINC000262057409 698452676 /nfs/dbraw/zinc/45/26/76/698452676.db2.gz DQSUGTCLWCYQGX-AWEZNQCLSA-N 1 0 324.808 1.748 10 0 DDAERO CCOCCOc1ccc(Cl)cc1NC(=O)[C@H]([NH3+])COC ZINC000262249513 698461368 /nfs/dbraw/zinc/46/13/68/698461368.db2.gz SKHMWJZZOXNBCU-LLVKDONJSA-N 1 0 316.785 1.668 10 0 DDAERO CCO[C@@H](C)c1nc(CN(C)C(=O)[C@H]([NH3+])COC)cs1 ZINC000262307028 698463723 /nfs/dbraw/zinc/46/37/23/698463723.db2.gz OOCVTJFHUDQJIU-GXSJLCMTSA-N 1 0 301.412 1.173 10 0 DDAERO C[C@H](O)[C@H](C)[NH2+]Cc1ncc(I)s1 ZINC000336657003 698769362 /nfs/dbraw/zinc/76/93/62/698769362.db2.gz QQUATRDHYRBNCK-WDSKDSINSA-N 1 0 312.176 1.607 10 0 DDAERO [NH3+]Cc1nc2c(s1)CCN(c1nnc(C(F)F)s1)C2 ZINC000710292098 699254024 /nfs/dbraw/zinc/25/40/24/699254024.db2.gz MDHSLFDVDDLWHU-UHFFFAOYSA-N 1 0 303.363 1.954 10 0 DDAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]CCCS(C)(=O)=O)C1 ZINC000711440342 699257964 /nfs/dbraw/zinc/25/79/64/699257964.db2.gz ARSZZXWGCKPIOV-UHFFFAOYSA-N 1 0 320.455 1.314 10 0 DDAERO CO[C@H]1CN(Cc2cn(C)nc2Br)[C@@](C)(C[NH3+])C1 ZINC000714084832 699269766 /nfs/dbraw/zinc/26/97/66/699269766.db2.gz GFSASHADAHRTLX-ZYHUDNBSSA-N 1 0 317.231 1.121 10 0 DDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1ncc(Br)s1 ZINC000714935312 699272918 /nfs/dbraw/zinc/27/29/18/699272918.db2.gz NPQIDJOPUNPGMO-YUMQZZPRSA-N 1 0 318.240 1.897 10 0 DDAERO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc4[nH]cnc4c3F)C[C@H]2C1 ZINC000897800818 708454682 /nfs/dbraw/zinc/45/46/82/708454682.db2.gz CBOVRSZDQZHHDF-WDEREUQCSA-N 1 0 302.353 1.726 10 0 DDAERO CC(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)CC[C@@H]1C(F)(F)F ZINC000886038054 708686740 /nfs/dbraw/zinc/68/67/40/708686740.db2.gz DKPUUJUMZVENEZ-NWDGAFQWSA-N 1 0 304.316 1.452 10 0 DDAERO CCn1nccc1C[NH2+][C@H]1CC[C@@H](C(F)(F)F)N(C(C)=O)C1 ZINC000886059608 708690303 /nfs/dbraw/zinc/69/03/03/708690303.db2.gz BZEHNTKQIIOTTF-AAEUAGOBSA-N 1 0 318.343 1.934 10 0 DDAERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2NC(=O)C2CCC(O)CC2)C1 ZINC000886075464 708693079 /nfs/dbraw/zinc/69/30/79/708693079.db2.gz LFBPXGJJGIRKRC-NEADZQPHSA-N 1 0 310.438 1.296 10 0 DDAERO CCN1C(=O)C[C@@H](C[NH2+]Cc2ccn(C)n2)[C@@H]1c1cccnc1 ZINC000886085641 708695288 /nfs/dbraw/zinc/69/52/88/708695288.db2.gz YDGAODPUZDELLG-YOEHRIQHSA-N 1 0 313.405 1.514 10 0 DDAERO Cn1cnnc1C[C@@]1(O)CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000886088177 708696051 /nfs/dbraw/zinc/69/60/51/708696051.db2.gz CRCZXRSNWGAJIS-YXOJNZSOSA-N 1 0 312.417 1.898 10 0 DDAERO Cc1cnn(C)c1C[NH2+][C@H]1CCO[C@@H]1c1cnn(CC2CC2)c1 ZINC000888076042 709209324 /nfs/dbraw/zinc/20/93/24/709209324.db2.gz RNJMBNMKUYECPA-DOTOQJQBSA-N 1 0 315.421 1.955 10 0 DDAERO Cc1nc(C[C@H]2CCCN(C(=O)CC[NH2+]C(C)(C)C)C2)no1 ZINC000931896275 714208234 /nfs/dbraw/zinc/20/82/34/714208234.db2.gz SLBQZCYCASVSID-CYBMUJFWSA-N 1 0 308.426 1.937 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)C[S@@](C)=O ZINC000248444397 282083734 /nfs/dbraw/zinc/08/37/34/282083734.db2.gz FXEPHTMJGDAPSY-VFGMZZLHSA-N 1 0 303.472 1.173 10 0 DDAERO CC[C@@H]1CN(C(=O)CCCOC(C)C)CC[N@@H+]1C[C@H](C)O ZINC000248454332 282084390 /nfs/dbraw/zinc/08/43/90/282084390.db2.gz LTPSTUNJZOGNDL-LSDHHAIUSA-N 1 0 300.443 1.495 10 0 DDAERO CCOCC[N@@H+]1CCN(CCO[C@H]2CCCCO2)C[C@H]1CC ZINC000248573905 282091744 /nfs/dbraw/zinc/09/17/44/282091744.db2.gz MUIOAJYEWCCPHV-SJORKVTESA-N 1 0 314.470 1.962 10 0 DDAERO C[NH2+][C@@H](CSCCS(C)(=O)=O)c1ccccc1OC ZINC000081769083 192322999 /nfs/dbraw/zinc/32/29/99/192322999.db2.gz LZQZNZBIVAGRDX-LBPRGKRZSA-N 1 0 303.449 1.734 10 0 DDAERO CCCCOC[C@@H](O)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000248646437 282096558 /nfs/dbraw/zinc/09/65/58/282096558.db2.gz HJBIJBOJNFMWTD-KGLIPLIRSA-N 1 0 301.427 1.828 10 0 DDAERO C[NH2+][C@H]1c2ccccc2C[C@H]1Sc1n[nH]c(=O)n1C1CC1 ZINC000081882135 192334330 /nfs/dbraw/zinc/33/43/30/192334330.db2.gz SQWVIAYXASZFBE-OLZOCXBDSA-N 1 0 302.403 1.884 10 0 DDAERO C[NH2+][C@H](CSc1n[nH]c(=O)n1C)c1cc(C)ccc1OC ZINC000081880719 192334490 /nfs/dbraw/zinc/33/44/90/192334490.db2.gz ITEAZMXSWCCSPB-LLVKDONJSA-N 1 0 308.407 1.478 10 0 DDAERO C[NH2+][C@@H]1CCC2(C[C@H]1S(=O)(=O)c1cccs1)OCCO2 ZINC000081926526 192340214 /nfs/dbraw/zinc/34/02/14/192340214.db2.gz NMRGELFQBGXZIE-GHMZBOCLSA-N 1 0 317.432 1.405 10 0 DDAERO CCC[NH2+][C@@H]1CCC2(C[C@@H]1S(=O)(=O)[C@@H](C)CC)OCCO2 ZINC000081937260 192342521 /nfs/dbraw/zinc/34/25/21/192342521.db2.gz PARMHHXQAZEWJL-MJBXVCDLSA-N 1 0 319.467 1.864 10 0 DDAERO C[NH2+][C@H]1c2ccc(OC)cc2CC[C@H]1S(=O)(=O)CCOC ZINC000081943185 192344181 /nfs/dbraw/zinc/34/41/81/192344181.db2.gz VDBLEUVBOUSBNI-CABCVRRESA-N 1 0 313.419 1.332 10 0 DDAERO C[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)S(=O)(=O)CCOC ZINC000081944931 192345323 /nfs/dbraw/zinc/34/53/23/192345323.db2.gz OMZBAUSXXXAAKM-SMDDNHRTSA-N 1 0 301.408 1.405 10 0 DDAERO C[C@H](CC[NH3+])CCC(=O)Nc1ccccc1SCC(N)=O ZINC000079117691 185159231 /nfs/dbraw/zinc/15/92/31/185159231.db2.gz JAGYRGSSZSCTFU-NSHDSACASA-N 1 0 309.435 1.968 10 0 DDAERO Cc1c(NC(=O)CC[C@H](C)CC[NH3+])cccc1S(N)(=O)=O ZINC000079190972 185161220 /nfs/dbraw/zinc/16/12/20/185161220.db2.gz JXYJYGMPNDSZJZ-JTQLQIEISA-N 1 0 313.423 1.346 10 0 DDAERO C[C@@H](CC[NH3+])CCC(=O)Nc1cccc(NS(N)(=O)=O)c1 ZINC000079190637 185161411 /nfs/dbraw/zinc/16/14/11/185161411.db2.gz VNZYATKOXBVBQD-SNVBAGLBSA-N 1 0 314.411 1.006 10 0 DDAERO CC(C)[C@H](CC[NH3+])CCC(=O)NC1CCS(=O)(=O)CC1 ZINC000079255572 185162552 /nfs/dbraw/zinc/16/25/52/185162552.db2.gz GVIQIKBDFRCEIL-LBPRGKRZSA-N 1 0 304.456 1.081 10 0 DDAERO C[N@@H+]1CCC[C@H]1CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000082315566 185175729 /nfs/dbraw/zinc/17/57/29/185175729.db2.gz ISRQMHBMULFKGR-ZDUSSCGKSA-N 1 0 305.378 1.048 10 0 DDAERO C[NH+]1CCC(N2CCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000082348129 185176730 /nfs/dbraw/zinc/17/67/30/185176730.db2.gz LBPUPTZYPJANJT-UHFFFAOYSA-N 1 0 303.406 1.897 10 0 DDAERO O[C@H]1C[NH2+]C[C@@H]1Oc1ccccc1I ZINC000082524991 185190874 /nfs/dbraw/zinc/19/08/74/185190874.db2.gz JHBKXIXCUWKWDR-WPRPVWTQSA-N 1 0 305.115 1.003 10 0 DDAERO O=C1CC[C@H](C[NH2+]Cc2ccc(F)cc2Br)N1 ZINC000079930845 539164254 /nfs/dbraw/zinc/16/42/54/539164254.db2.gz NZLYJVDDLLMTDL-SNVBAGLBSA-N 1 0 301.159 1.956 10 0 DDAERO CS(=O)(=O)C[C@H](O)[C@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000087368403 185222840 /nfs/dbraw/zinc/22/28/40/185222840.db2.gz JJJINGGKMGZHPX-KOLCDFICSA-N 1 0 312.218 1.441 10 0 DDAERO CCOc1ccc(S(=O)(=O)N[C@H](CC)C[NH3+])cc1OCC ZINC000087386427 185223393 /nfs/dbraw/zinc/22/33/93/185223393.db2.gz WORZQDINFIOWII-LLVKDONJSA-N 1 0 316.423 1.500 10 0 DDAERO CC[C@@H](C[NH3+])NC(=O)c1ccc(OC)c(Br)c1 ZINC000087385788 185223398 /nfs/dbraw/zinc/22/33/98/185223398.db2.gz RVXCHSNCKXHRFF-VIFPVBQESA-N 1 0 301.184 1.925 10 0 DDAERO CCC[C@H](C[NH3+])NS(=O)(=O)c1cc(C(=O)OC)ccc1C ZINC000087404379 185223941 /nfs/dbraw/zinc/22/39/41/185223941.db2.gz JDJZGSODRQTJSE-GFCCVEGCSA-N 1 0 314.407 1.187 10 0 DDAERO Cc1cc(CNS(=O)(=O)C[C@H]2CCC[NH2+]C2)sc1C ZINC000087581569 185228868 /nfs/dbraw/zinc/22/88/68/185228868.db2.gz KJUAYQYJMKAYGF-LBPRGKRZSA-N 1 0 302.465 1.784 10 0 DDAERO CN(C)C(=O)CN(CC(F)(F)F)C(=O)C(C)(C)C(C)(C)[NH3+] ZINC000087628088 185229662 /nfs/dbraw/zinc/22/96/62/185229662.db2.gz XGFZUCWWVUBWEB-UHFFFAOYSA-N 1 0 311.348 1.229 10 0 DDAERO C[C@H]([NH3+])CCC[C@H](C)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000087685904 185230421 /nfs/dbraw/zinc/23/04/21/185230421.db2.gz ILDDHYXKUCDSSF-QWRGUYRKSA-N 1 0 313.423 1.577 10 0 DDAERO CCOC(=O)CN(CCOC)C(=O)[C@H](C)CCC[C@H](C)[NH3+] ZINC000087696289 185230757 /nfs/dbraw/zinc/23/07/57/185230757.db2.gz CJCBWKVFQVIRDG-OLZOCXBDSA-N 1 0 302.415 1.178 10 0 DDAERO Cc1nnc(SCc2ccc(C(N)=O)cc2F)n1CC[NH3+] ZINC000087711451 185231039 /nfs/dbraw/zinc/23/10/39/185231039.db2.gz RZVVAKSRIZPLNE-UHFFFAOYSA-N 1 0 309.370 1.076 10 0 DDAERO [NH3+]C[C@]1(Nc2ccccc2Br)CCS(=O)(=O)C1 ZINC000087914575 185237481 /nfs/dbraw/zinc/23/74/81/185237481.db2.gz RCAZFUTUBOIXRK-LLVKDONJSA-N 1 0 319.224 1.377 10 0 DDAERO COc1cc(OC)c([C@H](C[NH3+])NCC(F)(F)F)c(OC)c1 ZINC000087929484 185237595 /nfs/dbraw/zinc/23/75/95/185237595.db2.gz WYVOWFXDZRRIER-VIFPVBQESA-N 1 0 308.300 1.864 10 0 DDAERO CNC(=O)[C@H]1CCCN1C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000155970332 539210367 /nfs/dbraw/zinc/21/03/67/539210367.db2.gz HKQMDSRFOSLXNQ-LSDHHAIUSA-N 1 0 324.469 1.419 10 0 DDAERO C[C@H](C[NH3+])[S@](=O)Cc1ccc(I)cc1 ZINC000088067676 185238543 /nfs/dbraw/zinc/23/85/43/185238543.db2.gz VVFPCUWWDKQUCS-CLAHSXSESA-N 1 0 323.199 1.887 10 0 DDAERO CCn1nc(C)c(Br)c1C[S@@](=O)[C@H](C)C[NH3+] ZINC000088068136 185238704 /nfs/dbraw/zinc/23/87/04/185238704.db2.gz JUKUDTAGTDLGEV-QZTNRIJFSA-N 1 0 308.245 1.570 10 0 DDAERO [NH3+][C@@H]1CCOC[C@H]1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000088312008 185245302 /nfs/dbraw/zinc/24/53/02/185245302.db2.gz PLHOGSHCRGTASK-GHMZBOCLSA-N 1 0 310.202 1.883 10 0 DDAERO CC[NH2+][C@H](c1ccccc1)[C@H](CC)S(=O)(=O)CC(=O)OC ZINC000081975528 192348620 /nfs/dbraw/zinc/34/86/20/192348620.db2.gz GGLMZGXXVHUMOF-DZGCQCFKSA-N 1 0 313.419 1.704 10 0 DDAERO COCC[C@H](C)NS(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000088551401 185257461 /nfs/dbraw/zinc/25/74/61/185257461.db2.gz ABIOINQGHVPDKW-NSHDSACASA-N 1 0 318.439 1.871 10 0 DDAERO COC1CCN(S(=O)(=O)c2ccc(C[NH2+]C(C)C)o2)CC1 ZINC000088543766 185256686 /nfs/dbraw/zinc/25/66/86/185256686.db2.gz AMNYXELCZIOHHE-UHFFFAOYSA-N 1 0 316.423 1.577 10 0 DDAERO CC[NH2+][C@H]1c2ccccc2C[C@H]1S(=O)(=O)CC(=O)OCC ZINC000081978029 192349005 /nfs/dbraw/zinc/34/90/05/192349005.db2.gz PFNMAQRYAMYXNL-HIFRSBDPSA-N 1 0 311.403 1.240 10 0 DDAERO CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1S(=O)(=O)CC(=O)OCC ZINC000081977971 192349010 /nfs/dbraw/zinc/34/90/10/192349010.db2.gz PXIRWUGWNQTVLA-MJBXVCDLSA-N 1 0 319.467 1.767 10 0 DDAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N[C@H](C)CCOC)o1 ZINC000088551400 185257584 /nfs/dbraw/zinc/25/75/84/185257584.db2.gz RBUIZQQXOKDDKQ-LLVKDONJSA-N 1 0 304.412 1.483 10 0 DDAERO Cn1ncnc1COc1c(Br)cccc1CC[NH3+] ZINC000088582668 185258541 /nfs/dbraw/zinc/25/85/41/185258541.db2.gz VJLUGDRTVQMAST-UHFFFAOYSA-N 1 0 311.183 1.658 10 0 DDAERO C[C@H](c1ccccc1C(F)(F)F)N1CC[NH2+]C[C@@H]1C(N)=O ZINC000088659112 185261884 /nfs/dbraw/zinc/26/18/84/185261884.db2.gz IAEOKKSZOIHOHM-BXKDBHETSA-N 1 0 301.312 1.526 10 0 DDAERO C[NH+](C)CC1CCN(S(=O)(=O)c2cccc(CO)c2)CC1 ZINC000088873101 185267510 /nfs/dbraw/zinc/26/75/10/185267510.db2.gz AFQKWQCEKAPORI-UHFFFAOYSA-N 1 0 312.435 1.141 10 0 DDAERO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cccc(CO)c2)C1 ZINC000088873244 185267654 /nfs/dbraw/zinc/26/76/54/185267654.db2.gz RXWMVRCBCHFKKB-CQSZACIVSA-N 1 0 312.435 1.284 10 0 DDAERO C[NH2+][C@H]1CCC2(C[C@H]1S(=O)(=O)C1CCCCC1)OCCO2 ZINC000081978920 192349378 /nfs/dbraw/zinc/34/93/78/192349378.db2.gz AKKNTXUOPDKMTQ-UONOGXRCSA-N 1 0 317.451 1.618 10 0 DDAERO CCC[C@H](C(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000253555147 282217416 /nfs/dbraw/zinc/21/74/16/282217416.db2.gz KFXJUXGETHAQBB-SOUVJXGZSA-N 1 0 313.486 1.721 10 0 DDAERO CCCN(C1C[NH2+]C1)S(=O)(=O)c1ccc(Cl)cc1OC ZINC000090293246 185289911 /nfs/dbraw/zinc/28/99/11/185289911.db2.gz WPUBSHORWIMVEO-UHFFFAOYSA-N 1 0 318.826 1.721 10 0 DDAERO O=C(c1ccc(Br)cc1)N1CCN(C2C[NH2+]C2)CC1 ZINC000090307037 185290170 /nfs/dbraw/zinc/29/01/70/185290170.db2.gz GCSMPARPRVIBTF-UHFFFAOYSA-N 1 0 324.222 1.179 10 0 DDAERO O=C(c1ccc(Br)cc1F)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090321394 185290820 /nfs/dbraw/zinc/29/08/20/185290820.db2.gz SXUWRFNOECAFAK-RKDXNWHRSA-N 1 0 313.170 1.880 10 0 DDAERO O=S(=O)(c1ccccc1C(F)(F)F)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090322243 185290986 /nfs/dbraw/zinc/29/09/86/185290986.db2.gz ARMMEQSRNFQMMC-NXEZZACHSA-N 1 0 320.336 1.545 10 0 DDAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1CC(=O)N1CCc2sccc2C1 ZINC000090326703 185291245 /nfs/dbraw/zinc/29/12/45/185291245.db2.gz USKKYUTZVVOCGS-BNOWGMLFSA-N 1 0 305.447 1.173 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1cc(C)ccc1F ZINC000090331531 185291304 /nfs/dbraw/zinc/29/13/04/185291304.db2.gz KMZSIERMRUHDLC-YRGRVCCFSA-N 1 0 312.410 1.753 10 0 DDAERO [NH3+][C@H]1COC[C@@H]1c1nc(-c2cccc(Br)c2)no1 ZINC000090364325 185292836 /nfs/dbraw/zinc/29/28/36/185292836.db2.gz HNXXGGLIKXVCQY-UWVGGRQHSA-N 1 0 310.151 1.940 10 0 DDAERO CC[NH2+][C@H]1COC[C@H]1C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000090489209 185298915 /nfs/dbraw/zinc/29/89/15/185298915.db2.gz VVUFOINYQRFMAM-KCJUWKMLSA-N 1 0 312.753 1.632 10 0 DDAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ncc(Br)s1 ZINC000090489624 185298949 /nfs/dbraw/zinc/29/89/49/185298949.db2.gz LIVAILZOKSDUPR-RNFRBKRXSA-N 1 0 320.212 1.469 10 0 DDAERO [NH3+][C@H]1COC[C@@H]1C(=O)Nc1ccc(F)cc1Br ZINC000090379125 185293641 /nfs/dbraw/zinc/29/36/41/185293641.db2.gz XHRYKSKKXOGCLM-CBAPKCEASA-N 1 0 303.131 1.500 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(Br)c(C)c1 ZINC000090431572 185295817 /nfs/dbraw/zinc/29/58/17/185295817.db2.gz ACXNVNNSDNQPHW-PWSUYJOCSA-N 1 0 313.195 1.930 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000090431639 185295831 /nfs/dbraw/zinc/29/58/31/185295831.db2.gz MTQMGFYNWVUBJX-IUCAKERBSA-N 1 0 300.261 1.181 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)N(C)Cc1nc2ccccc2s1 ZINC000090434709 185296424 /nfs/dbraw/zinc/29/64/24/185296424.db2.gz LYSNZTQGZCCNPL-CMPLNLGQSA-N 1 0 305.403 1.489 10 0 DDAERO COC(=O)c1c(C)c(C)sc1NC(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090599335 185305849 /nfs/dbraw/zinc/30/58/49/185305849.db2.gz UAQMBWHJNBDZFS-XPTSAGLGSA-N 1 0 312.391 1.454 10 0 DDAERO CCCCCCN(CCO)C(=O)[C@H]1COC[C@@H]1[NH2+]CCC ZINC000090542241 185301786 /nfs/dbraw/zinc/30/17/86/185301786.db2.gz RACOCMHGWIXKRF-GJZGRUSLSA-N 1 0 300.443 1.402 10 0 DDAERO O=C(c1cc2c(cccc2Br)[nH]1)N1CC[NH2+]CC1 ZINC000181338898 199282365 /nfs/dbraw/zinc/28/23/65/199282365.db2.gz JOFLDOGIFCCZGD-UHFFFAOYSA-N 1 0 308.179 1.976 10 0 DDAERO CCC[NH2+][C@@H]1COC[C@@H]1CN1CCN(c2nccs2)CC1 ZINC000090566002 185304210 /nfs/dbraw/zinc/30/42/10/185304210.db2.gz CFYDGIWUHWXMGS-UONOGXRCSA-N 1 0 310.467 1.280 10 0 DDAERO COc1cc(NC(=O)[C@@]2(C)COC[C@H]2[NH3+])c(OC)cc1Cl ZINC000090580376 185304850 /nfs/dbraw/zinc/30/48/50/185304850.db2.gz JGIRRMLSOOPSFN-OCCSQVGLSA-N 1 0 314.769 1.660 10 0 DDAERO Cc1nc(Oc2ccc(C[NH3+])cc2Cl)cc2n[nH]c(=O)n21 ZINC000090670646 185308980 /nfs/dbraw/zinc/30/89/80/185308980.db2.gz MYSCWMLYGLCYBW-UHFFFAOYSA-N 1 0 305.725 1.630 10 0 DDAERO CC(C)[C@H](CO)[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000092400387 185316042 /nfs/dbraw/zinc/31/60/42/185316042.db2.gz BSSYZLCNLCIEEN-CABCVRRESA-N 1 0 301.814 1.824 10 0 DDAERO COCC[NH2+]CC(=O)Nc1cc(Cl)ccc1C(=O)OC ZINC000092495361 185322402 /nfs/dbraw/zinc/32/24/02/185322402.db2.gz PIISTRXJTSOXMA-UHFFFAOYSA-N 1 0 300.742 1.301 10 0 DDAERO CCOC(=O)c1cc(C)sc1NC(=O)C[NH2+]CCOC ZINC000092510189 185323325 /nfs/dbraw/zinc/32/33/25/185323325.db2.gz IFCBSTYZKQOIAE-UHFFFAOYSA-N 1 0 300.380 1.408 10 0 DDAERO CCNc1ccc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)cn1 ZINC000092671405 185332876 /nfs/dbraw/zinc/33/28/76/185332876.db2.gz XZSMGFKOPUHXDN-GFCCVEGCSA-N 1 0 312.439 1.228 10 0 DDAERO CC[NH2+][C@@H]1C(=O)Nc2cc(-n3cncn3)c(Br)cc21 ZINC000092776115 185339792 /nfs/dbraw/zinc/33/97/92/185339792.db2.gz OOAYQHLSQLDAEF-NSHDSACASA-N 1 0 322.166 1.633 10 0 DDAERO CCCN([C@](C)(CC)C[NH3+])S(=O)(=O)c1cn(CC)cn1 ZINC000092889825 185347943 /nfs/dbraw/zinc/34/79/43/185347943.db2.gz TVCJMGXOPVBIEQ-CYBMUJFWSA-N 1 0 302.444 1.431 10 0 DDAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCc2ccccn2)CC1 ZINC000181526836 199312468 /nfs/dbraw/zinc/31/24/68/199312468.db2.gz SCNAGUVZIMMRAM-CQSZACIVSA-N 1 0 320.437 1.316 10 0 DDAERO COC(=O)Cn1cc(CC[NH2+][C@@H](C)c2ccccc2C)nn1 ZINC000181565016 199318738 /nfs/dbraw/zinc/31/87/38/199318738.db2.gz BAHZAZHQQMBCAV-ZDUSSCGKSA-N 1 0 302.378 1.653 10 0 DDAERO CN(C[C@@H]1CCCN1c1cccnn1)c1cc[nH+]cc1C(N)=O ZINC000302023534 529949680 /nfs/dbraw/zinc/94/96/80/529949680.db2.gz JMBBFXHTHJVLIO-LBPRGKRZSA-N 1 0 312.377 1.076 10 0 DDAERO C[C@@H](CO)C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000109122854 185552640 /nfs/dbraw/zinc/55/26/40/185552640.db2.gz OJMWQZOSFYWSFJ-PWSUYJOCSA-N 1 0 318.211 1.407 10 0 DDAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000111266058 185568221 /nfs/dbraw/zinc/56/82/21/185568221.db2.gz AAZAVBWCBVUDDY-WPRPVWTQSA-N 1 0 300.355 1.023 10 0 DDAERO CN(C)c1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cn1 ZINC000111244298 185562951 /nfs/dbraw/zinc/56/29/51/185562951.db2.gz GRAHRPMBPVNFEG-GFCCVEGCSA-N 1 0 302.300 1.628 10 0 DDAERO CCC[NH2+][C@@H](C)[C@@H]1CCCN(S(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000111713473 185628724 /nfs/dbraw/zinc/62/87/24/185628724.db2.gz JVNAHNSZRLBKJE-ZNMIVQPWSA-N 1 0 318.483 1.595 10 0 DDAERO C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)C[C@@H]1[NH3+] ZINC000235645710 201919515 /nfs/dbraw/zinc/91/95/15/201919515.db2.gz ZXQPSEVKMKBDSX-XVKPBYJWSA-N 1 0 309.218 1.961 10 0 DDAERO Cc1conc1C(=O)NCc1ccncc1O[C@H]1CC[NH2+]C1 ZINC000685940711 539564450 /nfs/dbraw/zinc/56/44/50/539564450.db2.gz GCBSQGNEIQHNTD-LBPRGKRZSA-N 1 0 302.334 1.049 10 0 DDAERO CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCC[NH3+] ZINC000236659892 201951348 /nfs/dbraw/zinc/95/13/48/201951348.db2.gz CZGRIXKKVQITJR-OAHLLOKOSA-N 1 0 319.449 1.813 10 0 DDAERO CCOc1ccc(S(=O)(=O)N2[C@H](C)CCC[C@@H]2C[NH3+])cc1 ZINC000070153913 190863562 /nfs/dbraw/zinc/86/35/62/190863562.db2.gz GUTMYVDIJXTFJT-CHWSQXEVSA-N 1 0 312.435 1.976 10 0 DDAERO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCN(c2nccs2)CC1 ZINC000070251951 190875641 /nfs/dbraw/zinc/87/56/41/190875641.db2.gz IZGYAWGHDDZPIB-LBPRGKRZSA-N 1 0 306.435 1.181 10 0 DDAERO CCc1nc(S(=O)(=O)N2CCC[C@H](C[NH2+]C(C)C)C2)c[nH]1 ZINC000070420350 190888810 /nfs/dbraw/zinc/88/88/10/190888810.db2.gz KVNNTYULHYRINN-GFCCVEGCSA-N 1 0 314.455 1.371 10 0 DDAERO CO[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(F)c1C[NH3+] ZINC000070394872 190885535 /nfs/dbraw/zinc/88/55/35/190885535.db2.gz MOOMESBXRAUZJV-RYUDHWBXSA-N 1 0 302.371 1.130 10 0 DDAERO c1cncc(-c2noc(-c3ccc(N4CCC[NH2+]CC4)nc3)n2)c1 ZINC000070457844 190897113 /nfs/dbraw/zinc/89/71/13/190897113.db2.gz YMMKJKXYEWIYDT-UHFFFAOYSA-N 1 0 322.372 1.993 10 0 DDAERO CC(C)[NH2+][C@@](C)(CCCn1cc(C(F)(F)F)cn1)C(N)=O ZINC000070467529 190900224 /nfs/dbraw/zinc/90/02/24/190900224.db2.gz XWOQQUMDIALFOA-LBPRGKRZSA-N 1 0 306.332 1.924 10 0 DDAERO CC[C@@H](C[NH3+])NS(=O)(=O)c1ccccc1Br ZINC000083566327 192373598 /nfs/dbraw/zinc/37/35/98/192373598.db2.gz UHRYLLASOODYMN-QMMMGPOBSA-N 1 0 307.213 1.465 10 0 DDAERO CCCSc1nsc(NC(=O)CN(C)[C@@H]2CC[NH2+]C2)n1 ZINC000071310617 190956052 /nfs/dbraw/zinc/95/60/52/190956052.db2.gz VBCYCTXYHMNZPU-SECBINFHSA-N 1 0 315.468 1.272 10 0 DDAERO C[C@@H]([NH3+])CCCCS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000083996890 192395487 /nfs/dbraw/zinc/39/54/87/192395487.db2.gz PYGNCIOBDZOJRZ-LLVKDONJSA-N 1 0 319.448 1.381 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)CN2c3ccccc3SCC2=O)C1 ZINC000170859660 197838542 /nfs/dbraw/zinc/83/85/42/197838542.db2.gz SLLWPJFQATZOOW-LBPRGKRZSA-N 1 0 319.430 1.288 10 0 DDAERO Cc1nccn1C[C@@H]1CCCN1C(=O)CCCCc1c[nH]nn1 ZINC000139458499 186022398 /nfs/dbraw/zinc/02/23/98/186022398.db2.gz UYDXREHBQXMXQS-HNNXBMFYSA-N 1 0 316.409 1.714 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccnc(-n2ccnc2)c1 ZINC000172059137 198033131 /nfs/dbraw/zinc/03/31/31/198033131.db2.gz MWNMXGGWVAODMU-UKRRQHHQSA-N 1 0 311.389 1.576 10 0 DDAERO Cc1cnn(CCNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000172292224 198071746 /nfs/dbraw/zinc/07/17/46/198071746.db2.gz PEAWEZJGKQNWBT-HNNXBMFYSA-N 1 0 305.426 1.461 10 0 DDAERO C[NH+](C)CCc1nc2ccccc2c(NCCOCCO)n1 ZINC000002548453 352110415 /nfs/dbraw/zinc/11/04/15/352110415.db2.gz WEKIDZUMOJAYJQ-UHFFFAOYSA-N 1 0 304.394 1.155 10 0 DDAERO COC(=O)c1c(C)nc(C)c2c1ccn(CCC[NH+](C)C)c2=O ZINC000072452113 191170974 /nfs/dbraw/zinc/17/09/74/191170974.db2.gz SYLCKLCXBANART-UHFFFAOYSA-N 1 0 317.389 1.752 10 0 DDAERO Cc1csc2nc(CN3CC[N@@H+]4CCCC[C@@H]4C3)cc(=O)n12 ZINC000172803662 198151628 /nfs/dbraw/zinc/15/16/28/198151628.db2.gz RRAMRGXGJWKHPA-CQSZACIVSA-N 1 0 318.446 1.735 10 0 DDAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@](C)(O)c1ccco1 ZINC000173675885 198239092 /nfs/dbraw/zinc/23/90/92/198239092.db2.gz MMCAUZWBKDZAOD-CRAIPNDOSA-N 1 0 316.401 1.776 10 0 DDAERO C[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)Oc1ccccc1F ZINC000173917154 198267966 /nfs/dbraw/zinc/26/79/66/198267966.db2.gz ZOYJCYINWRELDT-QWHCGFSZSA-N 1 0 309.385 1.939 10 0 DDAERO COC(=O)c1ccccc1OCCN1CCO[C@@H](C[NH+](C)C)C1 ZINC000182149480 199393600 /nfs/dbraw/zinc/39/36/00/199393600.db2.gz SLRGXNJFRIIZCS-AWEZNQCLSA-N 1 0 322.405 1.114 10 0 DDAERO COCC[N@@H+]1CCN(C[C@H](O)COc2ccc(C)cc2)C[C@H]1C ZINC000105833235 353936538 /nfs/dbraw/zinc/93/65/38/353936538.db2.gz RACAEAXQIUUBFV-SJORKVTESA-N 1 0 322.449 1.387 10 0 DDAERO CC1(C)O[C@H]2O[C@H](C[N@@H+]3CCC[C@@H]3c3ccccn3)[C@@H](O)[C@@H]2O1 ZINC000106385115 353939320 /nfs/dbraw/zinc/93/93/20/353939320.db2.gz BROBLMZLNSWKNT-DGXTUMSLSA-N 1 0 320.389 1.456 10 0 DDAERO CCCCNC(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114580955 353980972 /nfs/dbraw/zinc/98/09/72/353980972.db2.gz WUGGTWHGKOZOJC-UHFFFAOYSA-N 1 0 319.453 1.775 10 0 DDAERO CCCn1nnnc1CN(Cc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000328608409 354545263 /nfs/dbraw/zinc/54/52/63/354545263.db2.gz YXSRAVPTJZPXIZ-HNNXBMFYSA-N 1 0 315.425 1.090 10 0 DDAERO CCCn1nnnc1CN(Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000328608411 354545426 /nfs/dbraw/zinc/54/54/26/354545426.db2.gz YXSRAVPTJZPXIZ-OAHLLOKOSA-N 1 0 315.425 1.090 10 0 DDAERO Cc1ccc(C(=O)N2CCO[C@H](C[N@H+](C)CC3CC3)C2)n1C ZINC000328631763 354553566 /nfs/dbraw/zinc/55/35/66/354553566.db2.gz KVZOLKRHDMZUGA-OAHLLOKOSA-N 1 0 305.422 1.516 10 0 DDAERO C[N@H+](CC1CC1)C[C@H]1CN(C(=O)Cc2ccc(F)cc2)CCO1 ZINC000328647539 354559259 /nfs/dbraw/zinc/55/92/59/354559259.db2.gz UAOAXXFCEWPMOP-KRWDZBQOSA-N 1 0 320.408 1.937 10 0 DDAERO COc1c(C)cc(S(=O)(=O)NCCC[NH+](C)C)c(C)c1C ZINC000074935620 191389257 /nfs/dbraw/zinc/38/92/57/191389257.db2.gz UUVCNMXMSLRCAJ-UHFFFAOYSA-N 1 0 314.451 1.850 10 0 DDAERO Cc1cc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc[nH+]1 ZINC000074932209 191389815 /nfs/dbraw/zinc/38/98/15/191389815.db2.gz ANNQTWKDXIBRJM-UHFFFAOYSA-N 1 0 303.343 1.685 10 0 DDAERO CCn1cnnc1CNC(=O)N1CCC([NH+](CC)CC)CC1 ZINC000075572717 191492970 /nfs/dbraw/zinc/49/29/70/191492970.db2.gz JSBMQNFDXIGRFW-UHFFFAOYSA-N 1 0 308.430 1.314 10 0 DDAERO CCCn1cc(Br)cc1C(=O)NC[C@@H]([NH3+])[C@H](C)O ZINC000080697760 192183158 /nfs/dbraw/zinc/18/31/58/192183158.db2.gz YREDPLFNMWGRMC-WCBMZHEXSA-N 1 0 318.215 1.099 10 0 DDAERO C[C@H](O)[C@H]([NH3+])CNC(=O)c1cc(Br)ccc1F ZINC000080699195 192183814 /nfs/dbraw/zinc/18/38/14/192183814.db2.gz QQMZUDSMGCYPOS-QUBYGPBYSA-N 1 0 305.147 1.026 10 0 DDAERO C[C@H](O)[C@H]([NH3+])CNS(=O)(=O)c1cc(Cl)sc1Cl ZINC000080748961 192187051 /nfs/dbraw/zinc/18/70/51/192187051.db2.gz GRKNESVTAGTJQZ-CRCLSJGQSA-N 1 0 319.235 1.041 10 0 DDAERO C[C@@H]([NH3+])c1csc(=NS(=O)(=O)N2CCCC[C@@H]2C)[nH]1 ZINC000080870240 192197427 /nfs/dbraw/zinc/19/74/27/192197427.db2.gz PTQKFYZANOGILW-DTWKUNHWSA-N 1 0 304.441 1.694 10 0 DDAERO CC[NH2+][C@H](CC)[C@@H](C)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081533601 192285472 /nfs/dbraw/zinc/28/54/72/192285472.db2.gz ZIMDBLDGGGFILS-NXEZZACHSA-N 1 0 305.348 1.889 10 0 DDAERO CC[C@@]1(C)C[NH2+]C2(CCCCC2)CN1CCS(C)(=O)=O ZINC000085503796 192513876 /nfs/dbraw/zinc/51/38/76/192513876.db2.gz QICNOGVMQWQSEW-AWEZNQCLSA-N 1 0 302.484 1.808 10 0 DDAERO C[C@H]1CC[NH2+][C@H](C2CCCCC2)CN1CCS(C)(=O)=O ZINC000085625706 192518971 /nfs/dbraw/zinc/51/89/71/192518971.db2.gz QVPLKRLTEZDOOE-ZFWWWQNUSA-N 1 0 302.484 1.664 10 0 DDAERO [NH3+]C[C@H]1CCCN(S(=O)(=O)N2CCc3sccc3C2)C1 ZINC000088914411 192654637 /nfs/dbraw/zinc/65/46/37/192654637.db2.gz DUMKNPOHLLBFCX-LLVKDONJSA-N 1 0 315.464 1.022 10 0 DDAERO C[NH2+]CCCn1cc(S(=O)(=O)N(C)CCC(C)C)cn1 ZINC000088991496 192686053 /nfs/dbraw/zinc/68/60/53/192686053.db2.gz RRISFCSYEXGYAI-UHFFFAOYSA-N 1 0 302.444 1.159 10 0 DDAERO CC(C)(C)CNS(=O)(=O)N1CCC[C@H](C[NH2+]C2CC2)C1 ZINC000088985360 192680234 /nfs/dbraw/zinc/68/02/34/192680234.db2.gz MOJIRSUXHVZCHN-GFCCVEGCSA-N 1 0 303.472 1.331 10 0 DDAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)NC(C1CC1)C1CC1 ZINC000088999102 192690793 /nfs/dbraw/zinc/69/07/93/192690793.db2.gz BYZRGGWBQKUJIS-ZDUSSCGKSA-N 1 0 301.456 1.083 10 0 DDAERO COc1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc2c1OCCO2 ZINC000179546836 199053623 /nfs/dbraw/zinc/05/36/23/199053623.db2.gz MQAHHQIFPYLHTA-CQSZACIVSA-N 1 0 304.390 1.746 10 0 DDAERO COc1ccc(CNC(=O)C2([NH3+])CCCC2)c(OC)c1OC ZINC000237276325 202215313 /nfs/dbraw/zinc/21/53/13/202215313.db2.gz PRRSZBPMLNYLOH-UHFFFAOYSA-N 1 0 308.378 1.600 10 0 DDAERO COc1cccc2c1OCC(C(=O)N[C@@H]1CCC[C@H]1C[NH3+])=C2 ZINC000237341699 202238483 /nfs/dbraw/zinc/23/84/83/202238483.db2.gz HRDDZFFNARMISV-GXTWGEPZSA-N 1 0 302.374 1.715 10 0 DDAERO C[C@@H]([NH2+][C@H](C)c1cccc(-n2ccnc2)c1)C(=O)NC(N)=O ZINC000180659891 199192692 /nfs/dbraw/zinc/19/26/92/199192692.db2.gz KIBFORAWDBCHOP-GHMZBOCLSA-N 1 0 301.350 1.106 10 0 DDAERO COC(=O)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000180727547 199201541 /nfs/dbraw/zinc/20/15/41/199201541.db2.gz FDWXMVCOYMAWBV-RKDXNWHRSA-N 1 0 316.760 1.807 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2nnc(C(F)F)s2)CCO1 ZINC000181184708 199261985 /nfs/dbraw/zinc/26/19/85/199261985.db2.gz FCAUIDXFMUFNIC-ZETCQYMHSA-N 1 0 321.353 1.270 10 0 DDAERO CCCC[C@H](C)NS(=O)(=O)c1cnn(CCC[NH2+]CC)c1 ZINC000089022409 192702077 /nfs/dbraw/zinc/70/20/77/192702077.db2.gz PNUPTFSZGMFSFA-ZDUSSCGKSA-N 1 0 316.471 1.740 10 0 DDAERO C[NH2+]CCCN(C)S(=O)(=O)N1CCCCc2ccccc21 ZINC000089049775 192720617 /nfs/dbraw/zinc/72/06/17/192720617.db2.gz JYZDKHNINGHJLT-UHFFFAOYSA-N 1 0 311.451 1.615 10 0 DDAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(OCC(F)F)ccn3)C[C@@H]12 ZINC000186917846 200030768 /nfs/dbraw/zinc/03/07/68/200030768.db2.gz IHRKRQCYXHYXFA-YUSALJHKSA-N 1 0 311.332 1.535 10 0 DDAERO Cc1cccc(NC(=O)NCC(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000237688197 202328516 /nfs/dbraw/zinc/32/85/16/202328516.db2.gz OKZAELJOQPZLJS-CYBMUJFWSA-N 1 0 304.394 1.232 10 0 DDAERO O=C(NCCN1CC[NH2+]CC1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000237882537 202379002 /nfs/dbraw/zinc/37/90/02/202379002.db2.gz FZWJASVSLRPHQG-CABCVRRESA-N 1 0 307.825 1.465 10 0 DDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CCCc1ccc2c(c1)CC(=O)N2 ZINC000193532139 201070349 /nfs/dbraw/zinc/07/03/49/201070349.db2.gz OQYYXGHAOOBPGS-SWLSCSKDSA-N 1 0 315.417 1.761 10 0 DDAERO COc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000193454034 201053277 /nfs/dbraw/zinc/05/32/77/201053277.db2.gz RFZOXMHDZQCXNL-SKDRFNHKSA-N 1 0 318.826 1.767 10 0 DDAERO COc1cc(OC)c(OC)cc1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000194019878 201163472 /nfs/dbraw/zinc/16/34/72/201163472.db2.gz UKWASESLKRRZDH-LBPRGKRZSA-N 1 0 308.378 1.471 10 0 DDAERO Cc1cc(N2CCC[C@H]([NH2+]C[C@H]3CCC=CO3)C2=O)n(C)n1 ZINC000194486406 201236957 /nfs/dbraw/zinc/23/69/57/201236957.db2.gz SXDLGTXQYKRKMF-KGLIPLIRSA-N 1 0 304.394 1.506 10 0 DDAERO CCC1(CN2CCSC[C@@H]2S(C)(=O)=O)CC[NH2+]CC1 ZINC000090925490 192948924 /nfs/dbraw/zinc/94/89/24/192948924.db2.gz ZECFAOKHPJABEC-LBPRGKRZSA-N 1 0 306.497 1.186 10 0 DDAERO CC[C@@]1(CN2CCSC[C@@H]2S(=O)(=O)CC)CC[NH2+]C1 ZINC000090929440 192951077 /nfs/dbraw/zinc/95/10/77/192951077.db2.gz OHEZITJSTWVNKM-QWHCGFSZSA-N 1 0 306.497 1.186 10 0 DDAERO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1ccc(S(N)(=O)=O)cc1 ZINC000247113595 202644489 /nfs/dbraw/zinc/64/44/89/202644489.db2.gz VZFWUXPAGHXHBP-NJZAAPMLSA-N 1 0 312.435 1.536 10 0 DDAERO COC(=O)C[C@H]1CCCCN1C(=O)C[C@H]1CSCC[NH2+]1 ZINC000091137298 193003095 /nfs/dbraw/zinc/00/30/95/193003095.db2.gz VTHBBCVFGAEDMX-NWDGAFQWSA-N 1 0 300.424 1.026 10 0 DDAERO Cc1ncsc1CN(C)[C@H](C[NH3+])CC(=O)N1CCCCC1 ZINC000091325495 193040574 /nfs/dbraw/zinc/04/05/74/193040574.db2.gz NROIBHMHPQVFPM-ZDUSSCGKSA-N 1 0 310.467 1.613 10 0 DDAERO CCC[NH2+]Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1C1CC1 ZINC000091337280 193043264 /nfs/dbraw/zinc/04/32/64/193043264.db2.gz XGKVTGNYESEEQO-HNNXBMFYSA-N 1 0 311.451 1.794 10 0 DDAERO CC[NH2+][C@@H](C)C(C)(C)CN1CCSC[C@@H]1S(C)(=O)=O ZINC000091405604 193052395 /nfs/dbraw/zinc/05/23/95/193052395.db2.gz AJHGDHUJMGXJAD-RYUDHWBXSA-N 1 0 308.513 1.430 10 0 DDAERO CSC1(C[NH3+])CCN(S(=O)(=O)N2CCCC[C@H]2C)CC1 ZINC000091471427 193061681 /nfs/dbraw/zinc/06/16/81/193061681.db2.gz CZBUESXLJRIHEM-GFCCVEGCSA-N 1 0 321.512 1.262 10 0 DDAERO CCCn1cc(S(=O)(=O)N[C@@H]2CCC[NH2+][C@@H]2C)nc1C ZINC000091496964 193064716 /nfs/dbraw/zinc/06/47/16/193064716.db2.gz PXHVYBYPTFNCGU-ZYHUDNBSSA-N 1 0 300.428 1.020 10 0 DDAERO COCC[C@H]([NH3+])C(=O)Nc1ccc(Br)c(C)n1 ZINC000091507008 193066378 /nfs/dbraw/zinc/06/63/78/193066378.db2.gz ZQHDCMJXYFMOFY-VIFPVBQESA-N 1 0 302.172 1.455 10 0 DDAERO O=C1N(Cc2ccc(Br)s2)C[C@H]2C[NH2+]CCN12 ZINC000091751099 193101977 /nfs/dbraw/zinc/10/19/77/193101977.db2.gz NKOGUMIAYDJRQI-MRVPVSSYSA-N 1 0 316.224 1.720 10 0 DDAERO COc1c(C[NH+]2CCC(c3nncn3C)CC2)c(C)nn1C ZINC000091795286 193109966 /nfs/dbraw/zinc/10/99/66/193109966.db2.gz IXVYNSBGORIGLB-UHFFFAOYSA-N 1 0 304.398 1.245 10 0 DDAERO CCN(C1CCC([NH3+])CC1)S(=O)(=O)c1cn(CC)c(C)n1 ZINC000091850629 193117938 /nfs/dbraw/zinc/11/79/38/193117938.db2.gz RNQCGGBUKIEOKQ-UHFFFAOYSA-N 1 0 314.455 1.492 10 0 DDAERO CC[NH2+]C1CCC(N(C)C(=O)C(C)(C)S(C)(=O)=O)CC1 ZINC000091869612 193120844 /nfs/dbraw/zinc/12/08/44/193120844.db2.gz QWJIYERAARVSRF-UHFFFAOYSA-N 1 0 304.456 1.189 10 0 DDAERO Cc1[nH]nc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)c1C[NH2+]C1CC1 ZINC000092113687 193161347 /nfs/dbraw/zinc/16/13/47/193161347.db2.gz YDSPPXDJTXYTDG-NXEZZACHSA-N 1 0 312.439 1.247 10 0 DDAERO CC[C@@H]1CN(S(=O)(=O)c2ccc(C[NH3+])cc2F)CCO1 ZINC000092115684 193163359 /nfs/dbraw/zinc/16/33/59/193163359.db2.gz HZAIUADNTWGOQX-LLVKDONJSA-N 1 0 302.371 1.084 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(CC)CCOC)c(F)c1 ZINC000092115916 193163827 /nfs/dbraw/zinc/16/38/27/193163827.db2.gz NYUHYOOWXFOEFC-UHFFFAOYSA-N 1 0 318.414 1.592 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)c(F)c1 ZINC000092116296 193164570 /nfs/dbraw/zinc/16/45/70/193164570.db2.gz ZICPNSIXXOSXMG-GHMZBOCLSA-N 1 0 300.399 1.822 10 0 DDAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2cc(-n3cnnn3)ccc2Cl)C1 ZINC000092203044 193173152 /nfs/dbraw/zinc/17/31/52/193173152.db2.gz CNOQVUNCCSEQMJ-BDAKNGLRSA-N 1 0 304.741 1.158 10 0 DDAERO C[C@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)N1CCc2sccc2C1 ZINC000261768032 203112474 /nfs/dbraw/zinc/11/24/74/203112474.db2.gz MDJBLSGKIYKKRM-BNOWGMLFSA-N 1 0 323.462 1.117 10 0 DDAERO COC(=O)c1cc(OC)ccc1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261761022 203111378 /nfs/dbraw/zinc/11/13/78/203111378.db2.gz NLDUCVSFHANCCH-ZYHUDNBSSA-N 1 0 306.362 1.795 10 0 DDAERO COC(=O)[C@H]1C[C@@H]1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093065976 193199398 /nfs/dbraw/zinc/19/93/98/193199398.db2.gz RPFYFZFIOSCTKN-GJZGRUSLSA-N 1 0 317.389 1.223 10 0 DDAERO CN(Cc1cccc(F)c1)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262038471 203181062 /nfs/dbraw/zinc/18/10/62/203181062.db2.gz YGHBBDCXEDDPRS-CVEARBPZSA-N 1 0 316.380 1.521 10 0 DDAERO CCS(=O)(=O)CC[C@H](C[NH2+]CCOC)c1ccc(F)cc1 ZINC000093148073 193208692 /nfs/dbraw/zinc/20/86/92/193208692.db2.gz ZEMVIMYUWCWSPT-CQSZACIVSA-N 1 0 317.426 1.970 10 0 DDAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)COc1ccccc1 ZINC000262341261 203267824 /nfs/dbraw/zinc/26/78/24/203267824.db2.gz GENCSFNZZJVNOU-UHFFFAOYSA-N 1 0 315.377 1.300 10 0 DDAERO Cc1ccc(CC(=O)Nc2nc(C3CC[NH2+]CC3)nn2C)cn1 ZINC000262493906 203309220 /nfs/dbraw/zinc/30/92/20/203309220.db2.gz ZUOMYGROWIABKP-UHFFFAOYSA-N 1 0 314.393 1.167 10 0 DDAERO CC[C@@H](C)n1ccc(CC2([C@@H]3CCS(=O)(=O)C3)C[NH2+]C2)n1 ZINC000093195429 193214406 /nfs/dbraw/zinc/21/44/06/193214406.db2.gz OXLVLSQYEUIRMP-CHWSQXEVSA-N 1 0 311.451 1.421 10 0 DDAERO CC[NH+](CC)C[C@@H](C)Nc1ccc(S(N)(=O)=O)c(N)c1 ZINC000093198899 193215881 /nfs/dbraw/zinc/21/58/81/193215881.db2.gz VVXUWHKJUPLSTN-SNVBAGLBSA-N 1 0 300.428 1.058 10 0 DDAERO Cc1ccccc1[C@H]([NH2+]CCS(N)(=O)=O)c1ccccc1 ZINC000093248793 193220804 /nfs/dbraw/zinc/22/08/04/193220804.db2.gz LVWSKLUOCMKRNQ-MRXNPFEDSA-N 1 0 304.415 1.963 10 0 DDAERO C[C@H](Cc1cccs1)N(C)S(=O)(=O)N(C)CCC[NH3+] ZINC000093294584 193226808 /nfs/dbraw/zinc/22/68/08/193226808.db2.gz BECKPXUUPDVRRF-LLVKDONJSA-N 1 0 305.469 1.136 10 0 DDAERO CCn1nc(C)c([C@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)c1C ZINC000093523096 193262790 /nfs/dbraw/zinc/26/27/90/193262790.db2.gz OGDITVJDGYKTRX-JTQLQIEISA-N 1 0 301.456 1.994 10 0 DDAERO CC[C@]1(C)CN(CC(C)(C)S(C)(=O)=O)[C@H](C(C)C)C[NH2+]1 ZINC000093525848 193264018 /nfs/dbraw/zinc/26/40/18/193264018.db2.gz UGQGOVBXYYHAGS-DZGCQCFKSA-N 1 0 304.500 1.908 10 0 DDAERO CCN[C@@]1(C(=O)OC)CCC[C@H]1CC[N@H+](C)CCCOC ZINC000093593574 193271865 /nfs/dbraw/zinc/27/18/65/193271865.db2.gz XPUREGUUSVMGGM-HOCLYGCPSA-N 1 0 300.443 1.666 10 0 DDAERO Cn1cc(SCC[C@H]2CCC[C@@]2([NH2+]C2CC2)C(N)=O)cn1 ZINC000093630095 193276496 /nfs/dbraw/zinc/27/64/96/193276496.db2.gz OFQFGQCXQRELSW-ABAIWWIYSA-N 1 0 308.451 1.679 10 0 DDAERO C[C@H](Cc1cccs1)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696902 193291824 /nfs/dbraw/zinc/29/18/24/193291824.db2.gz PIYSGFZFRGJRPT-OLZOCXBDSA-N 1 0 316.492 1.940 10 0 DDAERO C[N@@H+](Cc1ccccc1N)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697690 193292997 /nfs/dbraw/zinc/29/29/97/193292997.db2.gz ADNDYIKFMKZXCA-CYBMUJFWSA-N 1 0 311.451 1.372 10 0 DDAERO CC(C)C[NH2+]CC[C@](C)(O)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702867 193295651 /nfs/dbraw/zinc/29/56/51/193295651.db2.gz SJNGZUYPNRSYNH-CABCVRRESA-N 1 0 320.499 1.435 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN(CC(C)(C)C(=O)OC)CC1 ZINC000093717181 193297012 /nfs/dbraw/zinc/29/70/12/193297012.db2.gz LRLSWBKVCIQFIC-GFCCVEGCSA-N 1 0 315.483 1.258 10 0 DDAERO CCCCOCCO[C@@H]1CCC[C@]([NH2+]CCC)(C(N)=O)C1 ZINC000093761788 193301108 /nfs/dbraw/zinc/30/11/08/193301108.db2.gz NITCOECHUGJTHU-GDBMZVCRSA-N 1 0 300.443 1.986 10 0 DDAERO NC(=O)[C@@]1([NH3+])CCC[C@H](Sc2nnnn2C2CCCC2)C1 ZINC000093777765 193304660 /nfs/dbraw/zinc/30/46/60/193304660.db2.gz QIMSMIDFUAOUFR-GXFFZTMASA-N 1 0 310.427 1.006 10 0 DDAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@H](Sc2nncs2)C1 ZINC000093777988 193304859 /nfs/dbraw/zinc/30/48/59/193304859.db2.gz VQWMQXQPNRMPCO-JOYOIKCWSA-N 1 0 300.453 1.797 10 0 DDAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2ccc(C(=O)NC3CC3)cc2)C1 ZINC000093987511 193335688 /nfs/dbraw/zinc/33/56/88/193335688.db2.gz QVFKFQPUGDTRDC-JKSUJKDBSA-N 1 0 315.417 1.791 10 0 DDAERO CCOC(=O)[C@@]1(NC(C)C)CC[C@H]([N@H+](CC)CCOC)C1 ZINC000093827369 193313279 /nfs/dbraw/zinc/31/32/79/193313279.db2.gz VVLOKWNBFFIZMG-GOEBONIOSA-N 1 0 300.443 1.807 10 0 DDAERO NC(=O)[C@@]1([NH2+]C2CC2)CC[C@@H](n2cc(C(F)(F)F)cn2)C1 ZINC000093834071 193315094 /nfs/dbraw/zinc/31/50/94/193315094.db2.gz YLRBAQSCXUMGPU-ZYHUDNBSSA-N 1 0 302.300 1.603 10 0 DDAERO CS(=O)(=O)c1ccc(S[C@H]2CC[C@@]([NH3+])(CO)C2)cc1 ZINC000093860118 193319322 /nfs/dbraw/zinc/31/93/22/193319322.db2.gz RXGQGFJFLVIMKR-AAEUAGOBSA-N 1 0 301.433 1.425 10 0 DDAERO NC(=O)[C@@]1([NH3+])CC[C@@H](Sc2ncccc2Br)C1 ZINC000093853869 193319860 /nfs/dbraw/zinc/31/98/60/193319860.db2.gz BRAUCPSHTKZUDC-RDDDGLTNSA-N 1 0 316.224 1.672 10 0 DDAERO CCN(CC(=O)NC(=O)NCCC(C)C)CC(C)(C)C[NH3+] ZINC000093891083 193323630 /nfs/dbraw/zinc/32/36/30/193323630.db2.gz UTFHJTFOFJMTPO-UHFFFAOYSA-N 1 0 300.447 1.165 10 0 DDAERO NC(=[NH2+])[C@@H]1CN(Cc2ccc(F)cc2Br)CCO1 ZINC000093936702 193330312 /nfs/dbraw/zinc/33/03/12/193330312.db2.gz JAIGZSRDFVGZQP-NSHDSACASA-N 1 0 316.174 1.725 10 0 DDAERO Cc1n[nH]c(C)c1S(=O)(=O)N(CC1CC[NH2+]CC1)C(C)C ZINC000094024106 193339499 /nfs/dbraw/zinc/33/94/99/193339499.db2.gz ZTTRJROVWKYUIU-UHFFFAOYSA-N 1 0 314.455 1.425 10 0 DDAERO CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CN(C)CCS(C)(=O)=O ZINC000094300541 193358437 /nfs/dbraw/zinc/35/84/37/193358437.db2.gz MRLJBJIBJPNMGD-RBSFLKMASA-N 1 0 304.500 1.767 10 0 DDAERO Cc1nc(N(C)CCS(C)(=O)=O)sc1C[NH2+]C(C)(C)C ZINC000094301172 193358853 /nfs/dbraw/zinc/35/88/53/193358853.db2.gz UEFIJOXDYFGAJK-UHFFFAOYSA-N 1 0 319.496 1.820 10 0 DDAERO CNC(=O)[C@@H]1CCCN1c1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334198 193360361 /nfs/dbraw/zinc/36/03/61/193360361.db2.gz ARZWGWVSZOVNTM-VIFPVBQESA-N 1 0 302.300 1.274 10 0 DDAERO C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C(N)=[NH2+])CCCO1 ZINC000094336743 193360838 /nfs/dbraw/zinc/36/08/38/193360838.db2.gz BHTMIKAWLYEIPA-MRVPVSSYSA-N 1 0 302.300 2.000 10 0 DDAERO Cc1ccccc1CCNS(=O)(=O)c1ccccc1C[NH3+] ZINC000094183152 193347906 /nfs/dbraw/zinc/34/79/06/193347906.db2.gz MAQGHGOAPDUACI-UHFFFAOYSA-N 1 0 304.415 1.975 10 0 DDAERO CCC[NH+]1CCC(O)([C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094639142 193388301 /nfs/dbraw/zinc/38/83/01/193388301.db2.gz TWJQOAIYSGEQHK-UONOGXRCSA-N 1 0 303.468 1.827 10 0 DDAERO CN(C)C1([C@H]([NH3+])[C@H]2CCC[C@H](S(C)(=O)=O)C2)CCCC1 ZINC000094642927 193389043 /nfs/dbraw/zinc/38/90/43/193389043.db2.gz CDUBFLMMRHNDSB-MELADBBJSA-N 1 0 302.484 1.792 10 0 DDAERO CC(C)C[C@@H](C[NH3+])C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000094698103 193391513 /nfs/dbraw/zinc/39/15/13/193391513.db2.gz FEXHHWPHXUGAIA-RYUDHWBXSA-N 1 0 309.376 1.608 10 0 DDAERO CS(=O)(=O)CCC[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000094368709 193367000 /nfs/dbraw/zinc/36/70/00/193367000.db2.gz NKGDQTMXTMCKTB-LBPRGKRZSA-N 1 0 307.481 1.456 10 0 DDAERO C[N@H+](CCNc1nc(Br)cn2ccnc12)C1CC1 ZINC000094490795 193373751 /nfs/dbraw/zinc/37/37/51/193373751.db2.gz FMGGTJIPRYYAAQ-UHFFFAOYSA-N 1 0 310.199 1.998 10 0 DDAERO CCC[NH2+][C@@H](c1cc(Cl)cnc1N)[C@@H]1CN2CCN1CC2 ZINC000094510660 193375844 /nfs/dbraw/zinc/37/58/44/193375844.db2.gz URYGTYVHOKTQFR-KBPBESRZSA-N 1 0 309.845 1.358 10 0 DDAERO COC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)c1 ZINC000094566513 193380876 /nfs/dbraw/zinc/38/08/76/193380876.db2.gz ZIQXNUOCYLUYKW-SKDRFNHKSA-N 1 0 312.753 1.571 10 0 DDAERO [NH3+]C[C@@H]1CC[C@H](C(=O)NCc2ccccc2Br)O1 ZINC000094570607 193381006 /nfs/dbraw/zinc/38/10/06/193381006.db2.gz DSASGLDZEPSNLC-CMPLNLGQSA-N 1 0 313.195 1.572 10 0 DDAERO C[C@H]1C[C@@H]([NH3+])CN(c2nc3ccc(Br)cn3n2)C1 ZINC000094609321 193384532 /nfs/dbraw/zinc/38/45/32/193384532.db2.gz JXQVCOUPJDWLNS-WCBMZHEXSA-N 1 0 310.199 1.665 10 0 DDAERO C[C@H](O)[C@@H]([NH3+])CNC(=O)c1c(F)cc(Br)cc1F ZINC000094717057 193393579 /nfs/dbraw/zinc/39/35/79/193393579.db2.gz KXLYLYBBZGTYNQ-CDUCUWFYSA-N 1 0 323.137 1.165 10 0 DDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(O)ccc1Br ZINC000282462087 217014214 /nfs/dbraw/zinc/01/42/14/217014214.db2.gz UAOGRTSCJNORAS-QPUJVOFHSA-N 1 0 313.195 1.911 10 0 DDAERO C[NH+](C)C[C@@H]1C[C@H](O)CN1C(=O)c1cc(Cl)nc(Cl)c1 ZINC000097246453 193697706 /nfs/dbraw/zinc/69/77/06/193697706.db2.gz DTSCBBUPRKYKDP-UWVGGRQHSA-N 1 0 318.204 1.525 10 0 DDAERO Cn1nc(C[C@@H]([NH3+])C[C@@H]2CCS(=O)(=O)C2)c2ccccc21 ZINC000097279267 193703763 /nfs/dbraw/zinc/70/37/63/193703763.db2.gz OAJSBCJNNHXJIU-RYUDHWBXSA-N 1 0 307.419 1.268 10 0 DDAERO [NH3+]CCCN(Cc1cccnc1)S(=O)(=O)c1cccnc1 ZINC000020564100 182232128 /nfs/dbraw/zinc/23/21/28/182232128.db2.gz FVPLRQULRDTQEG-UHFFFAOYSA-N 1 0 306.391 1.016 10 0 DDAERO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000180497747 284492739 /nfs/dbraw/zinc/49/27/39/284492739.db2.gz JWVNHLVYLUAZAQ-ZIAGYGMSSA-N 1 0 321.469 1.953 10 0 DDAERO CC[NH2+]Cc1ccc(Br)cc1N(C)CC(N)=O ZINC000037268910 182877597 /nfs/dbraw/zinc/87/75/97/182877597.db2.gz KDODXOANPVUFIM-UHFFFAOYSA-N 1 0 300.200 1.480 10 0 DDAERO [NH3+]CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1F ZINC000038033081 182973776 /nfs/dbraw/zinc/97/37/76/182973776.db2.gz NMYVAFCVCJAXEY-UHFFFAOYSA-N 1 0 308.378 1.975 10 0 DDAERO CCN(CCC[NH2+]C[C@H](O)c1cccc(F)c1)S(C)(=O)=O ZINC000038035694 182975603 /nfs/dbraw/zinc/97/56/03/182975603.db2.gz MYNIMALJSJAHSH-AWEZNQCLSA-N 1 0 318.414 1.120 10 0 DDAERO O=C(N[C@@H]1CC[NH2+]C1)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000333476081 248996365 /nfs/dbraw/zinc/99/63/65/248996365.db2.gz AXBAPUQNIZNHLU-DDTOSNHZSA-N 1 0 311.332 1.456 10 0 DDAERO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(OC)cc2N)C1 ZINC000040501846 183083473 /nfs/dbraw/zinc/08/34/73/183083473.db2.gz OIBYTCINOMOHQV-NSHDSACASA-N 1 0 313.423 1.040 10 0 DDAERO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2c(C)ccc(N)c2C)C1 ZINC000040501920 183083819 /nfs/dbraw/zinc/08/38/19/183083819.db2.gz VOQCVJPBCGRCIP-ZDUSSCGKSA-N 1 0 311.451 1.648 10 0 DDAERO Cn1cnc2cc(C(=O)NCC3CC[NH+](C4CC4)CC3)cnc21 ZINC000333684188 249069809 /nfs/dbraw/zinc/06/98/09/249069809.db2.gz ILGDDHYCWQVMQH-UHFFFAOYSA-N 1 0 313.405 1.573 10 0 DDAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccc(F)cc2Br)C1 ZINC000040631212 183111484 /nfs/dbraw/zinc/11/14/84/183111484.db2.gz CUSDDGLLTJKJAD-KCJUWKMLSA-N 1 0 317.158 1.904 10 0 DDAERO C[N@@H+]1CCC[C@@H](Nc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000040673400 183115940 /nfs/dbraw/zinc/11/59/40/183115940.db2.gz CDQFRQDJZZSFPB-CQSZACIVSA-N 1 0 309.435 1.633 10 0 DDAERO Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1N ZINC000040621002 183109466 /nfs/dbraw/zinc/10/94/66/183109466.db2.gz LGTYJHDZVIAWJP-ZDUSSCGKSA-N 1 0 311.451 1.586 10 0 DDAERO Cc1cc(N)ccc1S(=O)(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040621234 183109867 /nfs/dbraw/zinc/10/98/67/183109867.db2.gz IREJDLNIWHFTQP-CYBMUJFWSA-N 1 0 311.451 1.586 10 0 DDAERO COC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000040852831 183142115 /nfs/dbraw/zinc/14/21/15/183142115.db2.gz UXVMAAMREJSGAM-NXEZZACHSA-N 1 0 312.391 1.467 10 0 DDAERO O=S(=O)(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc2c1N=S=N2 ZINC000040740900 183127267 /nfs/dbraw/zinc/12/72/67/183127267.db2.gz ZCKNQDPNBBNHFK-ULKQDVFKSA-N 1 0 324.431 1.974 10 0 DDAERO CN(C1CCCCC1)S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040741022 183128356 /nfs/dbraw/zinc/12/83/56/183128356.db2.gz VXFAZNQJZRVWAY-FUNVUKJBSA-N 1 0 301.456 1.368 10 0 DDAERO CCN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)N1CCCC[C@@H]1C ZINC000040748041 183128979 /nfs/dbraw/zinc/12/89/79/183128979.db2.gz PETMUIYYGGPLCH-RDGKXADDSA-N 1 0 315.483 1.711 10 0 DDAERO CCC[NH+]1CCC(NC2=NS(=O)(=O)c3ccccc32)CC1 ZINC000042297373 183250436 /nfs/dbraw/zinc/25/04/36/183250436.db2.gz LQAUUXHBLUMIJE-UHFFFAOYSA-N 1 0 307.419 1.600 10 0 DDAERO CCNC(=O)COc1c(Br)cccc1CC[NH3+] ZINC000042412700 183265800 /nfs/dbraw/zinc/26/58/00/183265800.db2.gz OZIWMALHXYQPBZ-UHFFFAOYSA-N 1 0 301.184 1.465 10 0 DDAERO C[C@H](Oc1c(Br)cccc1CC[NH3+])C(=O)N(C)C ZINC000042412722 183265904 /nfs/dbraw/zinc/26/59/04/183265904.db2.gz LJZDAARPWSXJOZ-VIFPVBQESA-N 1 0 315.211 1.806 10 0 DDAERO CO[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000042477475 183274314 /nfs/dbraw/zinc/27/43/14/183274314.db2.gz ZZUCUCKNSRQBPA-CABCVRRESA-N 1 0 312.435 1.424 10 0 DDAERO COC[C@H](O)C[N@H+](C)CCCOc1cccc(C(N)=S)c1 ZINC000042506121 183278045 /nfs/dbraw/zinc/27/80/45/183278045.db2.gz ZLWXBYKPLXVHNJ-CYBMUJFWSA-N 1 0 312.435 1.029 10 0 DDAERO [NH3+]CC1(N(Cc2cccs2)C2CC2)CCS(=O)(=O)CC1 ZINC000042332570 183255408 /nfs/dbraw/zinc/25/54/08/183255408.db2.gz SCGAMLBHWJVXEO-UHFFFAOYSA-N 1 0 314.476 1.619 10 0 DDAERO CC[C@@H]([NH3+])[C@H](c1ccc(F)cc1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000042914736 183318461 /nfs/dbraw/zinc/31/84/61/183318461.db2.gz HALXPNMELPKISP-KFWWJZLASA-N 1 0 314.426 1.723 10 0 DDAERO CC[C@@H]([NH3+])[C@H](c1ccccc1Cl)N1CCN(CCO)CC1 ZINC000043051515 183332993 /nfs/dbraw/zinc/33/29/93/183332993.db2.gz XMVUWZXYSUMISB-CVEARBPZSA-N 1 0 311.857 1.728 10 0 DDAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)s1)N(C)CC(=O)NCCOC ZINC000043242792 183346745 /nfs/dbraw/zinc/34/67/45/183346745.db2.gz GWNHLAQQQDOEHN-IUODEOHRSA-N 1 0 313.467 1.529 10 0 DDAERO CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000043800960 183386654 /nfs/dbraw/zinc/38/66/54/183386654.db2.gz 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194143322 /nfs/dbraw/zinc/14/33/22/194143322.db2.gz JCIAGOZCGONCFJ-ZDUSSCGKSA-N 1 0 310.394 1.609 10 0 DDAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)NCc1ccc(F)cc1 ZINC000105871443 194152324 /nfs/dbraw/zinc/15/23/24/194152324.db2.gz BGTWBYJALCZRGD-FZMZJTMJSA-N 1 0 317.368 1.027 10 0 DDAERO COCCN1CC[N@H+](C[C@H](O)COCc2ccccc2)C[C@@H]1C ZINC000105902859 194165865 /nfs/dbraw/zinc/16/58/65/194165865.db2.gz PZBXNKOHQSSCAB-WMZOPIPTSA-N 1 0 322.449 1.217 10 0 DDAERO CC[C@@H]1CO[C@@H](C)CN1S(=O)(=O)CCC1CC[NH2+]CC1 ZINC000048916440 183695867 /nfs/dbraw/zinc/69/58/67/183695867.db2.gz HWVTUWFHRIYNKC-GXTWGEPZSA-N 1 0 304.456 1.205 10 0 DDAERO CCCNC(=O)CCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000109363554 194259544 /nfs/dbraw/zinc/25/95/44/194259544.db2.gz PWAFELLHMQUVMB-OAHLLOKOSA-N 1 0 305.422 1.712 10 0 DDAERO NC(=S)C[NH+]1CCN(Cc2ccc3ncccc3c2)CC1 ZINC000109442663 194264103 /nfs/dbraw/zinc/26/41/03/194264103.db2.gz OFSKYAMMNWXSCY-UHFFFAOYSA-N 1 0 300.431 1.639 10 0 DDAERO 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C[NH2+]CCN(C)C(=O)[C@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000120544496 195188116 /nfs/dbraw/zinc/18/81/16/195188116.db2.gz FEWVKWNIWRJSBE-OAHLLOKOSA-N 1 0 305.422 1.427 10 0 DDAERO CC[C@@H]1CN(Cc2cc(C(N)=O)cs2)CC[N@@H+]1C[C@@H](C)O ZINC000120758022 195231650 /nfs/dbraw/zinc/23/16/50/195231650.db2.gz IFHCBFIEENBCRT-DGCLKSJQSA-N 1 0 311.451 1.124 10 0 DDAERO Cn1cc(C[N@@H+]2CC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)cn1 ZINC000248164482 257106755 /nfs/dbraw/zinc/10/67/55/257106755.db2.gz ZALRXXUAVCXYRK-DOTOQJQBSA-N 1 0 314.389 1.628 10 0 DDAERO Cc1cc(F)ccc1C(=O)N1C[C@H]2COC[C@@]2(C[NH+](C)C)C1 ZINC000248149734 257108342 /nfs/dbraw/zinc/10/83/42/257108342.db2.gz WXRVCIVYIUFMBM-SUMWQHHRSA-N 1 0 306.381 1.784 10 0 DDAERO COC[C@@H]1C[N@H+](C)C[C@]12CCN(C(=O)Cc1ccc(F)cc1)C2 ZINC000248024604 257110713 /nfs/dbraw/zinc/11/07/13/257110713.db2.gz KQAWUBJXZLJBQT-YJBOKZPZSA-N 1 0 320.408 1.795 10 0 DDAERO C[C@H]1C[N@H+](Cc2ccoc2)C[C@@]12CCN(CC(=O)N(C)C)C2=O ZINC000247957824 257113286 /nfs/dbraw/zinc/11/32/86/257113286.db2.gz DGVIDACAVHHYHE-GUYCJALGSA-N 1 0 319.405 1.038 10 0 DDAERO C[C@H]1COC[C@H](C)[NH+]1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000120941137 195268919 /nfs/dbraw/zinc/26/89/19/195268919.db2.gz XDVVZIPIWOTZJC-RYUDHWBXSA-N 1 0 305.378 1.223 10 0 DDAERO C[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)C(C)(C)C[NH+](C)C ZINC000121154154 195300007 /nfs/dbraw/zinc/30/00/07/195300007.db2.gz HZJDORJPVYWSDN-LSDHHAIUSA-N 1 0 310.486 1.842 10 0 DDAERO C[C@H](C(=O)Nc1ccc(OCC(F)(F)F)nc1)C1C[NH2+]C1 ZINC000163945236 132127534 /nfs/dbraw/zinc/12/75/34/132127534.db2.gz KGYAYQCANQCKHL-QMMMGPOBSA-N 1 0 303.284 1.817 10 0 DDAERO COc1ccc([C@@H](C)[NH2+][C@H]2CCCS(=O)(=O)C2)cc1OC ZINC000069137281 406684265 /nfs/dbraw/zinc/68/42/65/406684265.db2.gz YVHZKFGOEZWPJQ-YPMHNXCESA-N 1 0 313.419 1.932 10 0 DDAERO COc1cc(Cc2c(C)[nH+]c(N)nc2N)cc(OC)c1OC ZINC000013532920 406863232 /nfs/dbraw/zinc/86/32/32/406863232.db2.gz KUPCMNHSRONILW-UHFFFAOYSA-N 1 0 304.350 1.566 10 0 DDAERO 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CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116532662 407760004 /nfs/dbraw/zinc/76/00/04/407760004.db2.gz HBHZKNLEWMCUHB-ZBFHGGJFSA-N 1 0 321.469 1.895 10 0 DDAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116532658 407760140 /nfs/dbraw/zinc/76/01/40/407760140.db2.gz HBHZKNLEWMCUHB-HOCLYGCPSA-N 1 0 321.469 1.895 10 0 DDAERO COC[C@H]([NH3+])C(=O)N[C@@H](CC(=O)OC)c1ccc(Cl)cc1 ZINC000262239005 407773862 /nfs/dbraw/zinc/77/38/62/407773862.db2.gz HQBOUHGZVPWSCD-RYUDHWBXSA-N 1 0 314.769 1.034 10 0 DDAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186824194 407780302 /nfs/dbraw/zinc/78/03/02/407780302.db2.gz MNMALDPHGZMBMD-ZDUSSCGKSA-N 1 0 303.468 1.760 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)c2cc(Br)c[nH]2)CCO1 ZINC000116797877 407780819 /nfs/dbraw/zinc/78/08/19/407780819.db2.gz IYAKSIBXKVNWCB-JTQLQIEISA-N 1 0 316.199 1.180 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(Sc2nccn2C)cc1 ZINC000262277073 407781435 /nfs/dbraw/zinc/78/14/35/407781435.db2.gz 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ZINC000117025062 407808089 /nfs/dbraw/zinc/80/80/89/407808089.db2.gz YAFVDWFXFVMJRF-HNNXBMFYSA-N 1 0 307.394 1.037 10 0 DDAERO COCCN1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000117290577 407823980 /nfs/dbraw/zinc/82/39/80/407823980.db2.gz UYPWITGVQTVZGW-OAHLLOKOSA-N 1 0 319.449 1.541 10 0 DDAERO CCOc1ccccc1NC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000262404213 407825800 /nfs/dbraw/zinc/82/58/00/407825800.db2.gz COTKYVRCMQUXEF-IHRRRGAJSA-N 1 0 303.406 1.693 10 0 DDAERO CSc1ccccc1S(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000187147277 407826685 /nfs/dbraw/zinc/82/66/85/407826685.db2.gz WHQLMCJVJDFQPF-NSHDSACASA-N 1 0 300.449 1.733 10 0 DDAERO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000117490720 407839229 /nfs/dbraw/zinc/83/92/29/407839229.db2.gz PMEGAJJVMIPWMJ-LSDHHAIUSA-N 1 0 314.474 1.079 10 0 DDAERO Cc1ccc(CNC(=O)CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1F ZINC000262510606 407854139 /nfs/dbraw/zinc/85/41/39/407854139.db2.gz MYKMDCGNDLIOTC-SQWLQELKSA-N 1 0 305.397 1.419 10 0 DDAERO COCCCC[NH+]1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000117880672 407867623 /nfs/dbraw/zinc/86/76/23/407867623.db2.gz ZGBHCBXEROTGCS-KRWDZBQOSA-N 1 0 322.449 1.471 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1ccc(Oc2ncccn2)cc1C ZINC000262599247 407878235 /nfs/dbraw/zinc/87/82/35/407878235.db2.gz XMBXWZUPSLARGM-LBPRGKRZSA-N 1 0 302.334 1.490 10 0 DDAERO Cc1nc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)no1 ZINC000173563484 407887442 /nfs/dbraw/zinc/88/74/42/407887442.db2.gz HVRIHLATPARKPV-ZDUSSCGKSA-N 1 0 303.366 1.480 10 0 DDAERO CC(C)Oc1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000179906988 407843519 /nfs/dbraw/zinc/84/35/19/407843519.db2.gz IPGFHMIXRQCYIY-CQSZACIVSA-N 1 0 324.446 1.943 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cccc(CC(=O)OC)c1 ZINC000189485353 408033591 /nfs/dbraw/zinc/03/35/91/408033591.db2.gz TWEKJDYJLYMFHR-ZDUSSCGKSA-N 1 0 306.406 1.862 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CN1CCCCCCC1=O ZINC000175047524 408039154 /nfs/dbraw/zinc/03/91/54/408039154.db2.gz IYICPWXDUKQIGZ-JKSUJKDBSA-N 1 0 321.465 1.864 10 0 DDAERO COc1ccc(-c2nc([C@H]3C[NH2+]CCN3C)no2)c(OC)c1 ZINC000263190737 408051658 /nfs/dbraw/zinc/05/16/58/408051658.db2.gz HVUPWXSQUJKPKE-GFCCVEGCSA-N 1 0 304.350 1.330 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000181392779 407992768 /nfs/dbraw/zinc/99/27/68/407992768.db2.gz JKKGGDDAAOAFKP-HNNXBMFYSA-N 1 0 319.453 1.379 10 0 DDAERO CC[C@@H]1CN(C[C@H](O)c2ccc(C)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000174782132 407993194 /nfs/dbraw/zinc/99/31/94/407993194.db2.gz QAJHYVKZXBOPFF-NXHRZFHOSA-N 1 0 306.450 1.805 10 0 DDAERO C[C@@H]1C(=O)NCCCN1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000189305051 408006269 /nfs/dbraw/zinc/00/62/69/408006269.db2.gz GGRQUTLSJWSULJ-SNVBAGLBSA-N 1 0 320.780 1.058 10 0 DDAERO COCc1cc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)ncn1 ZINC000245547302 408011089 /nfs/dbraw/zinc/01/10/89/408011089.db2.gz XLDFECPHCBPEKM-DGCLKSJQSA-N 1 0 307.398 1.473 10 0 DDAERO CCOC(=O)C[C@H](C)CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C 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[NH3+][C@H](C(=O)NCc1ccccc1OC1CCC1)C1CCOCC1 ZINC000261753921 163696848 /nfs/dbraw/zinc/69/68/48/163696848.db2.gz LHPYTZXNHWIYAO-KRWDZBQOSA-N 1 0 318.417 1.988 10 0 DDAERO C[NH2+][C@@H](C)CNC(=O)CCC(=O)c1ccc(OC)c(OC)c1 ZINC000261800675 163705300 /nfs/dbraw/zinc/70/53/00/163705300.db2.gz RSUNBLGSPQZYSF-NSHDSACASA-N 1 0 308.378 1.391 10 0 DDAERO C[C@H]1CCN(C(=O)CCc2ccc3c(c2)OCCO3)[C@H](C[NH3+])C1 ZINC000261927622 163730800 /nfs/dbraw/zinc/73/08/00/163730800.db2.gz ZOGHFZBWQPWVCJ-ZFWWWQNUSA-N 1 0 318.417 1.976 10 0 DDAERO CC1(C)CN(C(=O)c2cc(-c3cccnc3)on2)CC[C@H]1[NH3+] ZINC000261932545 163731274 /nfs/dbraw/zinc/73/12/74/163731274.db2.gz ITJOIBGJYIHSAE-CQSZACIVSA-N 1 0 300.362 1.936 10 0 DDAERO O=C(CSc1ccc2ccccc2c1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262087665 163765639 /nfs/dbraw/zinc/76/56/39/163765639.db2.gz CTGKCAIWHQJHFO-ZBFHGGJFSA-N 1 0 316.426 1.628 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000262129507 163773554 /nfs/dbraw/zinc/77/35/54/163773554.db2.gz 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ZINC000129563538 196057827 /nfs/dbraw/zinc/05/78/27/196057827.db2.gz WANBUPBYAMUBHW-CYBMUJFWSA-N 1 0 322.384 1.396 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)Cc2cnc3ccccc3c2)CCO1 ZINC000131114455 196140530 /nfs/dbraw/zinc/14/05/30/196140530.db2.gz PNVRFMXXQTZZAY-INIZCTEOSA-N 1 0 313.401 1.566 10 0 DDAERO O=S(=O)(NC[C@@H]1CC[NH2+]C1)c1cc(Cl)cc(Cl)c1 ZINC000133743801 196332934 /nfs/dbraw/zinc/33/29/34/196332934.db2.gz PNYUNOIVSDVYKL-MRVPVSSYSA-N 1 0 309.218 1.881 10 0 DDAERO C[C@@H]1CN(C(=O)c2sc3ncccc3c2N)C[C@H]1[NH+](C)C ZINC000125373868 418508918 /nfs/dbraw/zinc/50/89/18/418508918.db2.gz KVJAEDJLMZPVDM-MWLCHTKSSA-N 1 0 304.419 1.901 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)c2c[nH]c3cc(F)ccc23)CCO1 ZINC000192943458 222139040 /nfs/dbraw/zinc/13/90/40/222139040.db2.gz YWTLUZGGSXYADN-LBPRGKRZSA-N 1 0 305.353 1.710 10 0 DDAERO CC[C@@H]1CN(c2ncc(Br)c(OC)n2)CC[C@H]1[NH3+] ZINC000300257550 418588349 /nfs/dbraw/zinc/58/83/49/418588349.db2.gz GCKKFYVIRHHKMN-PSASIEDQSA-N 1 0 315.215 1.811 10 0 DDAERO CCO[C@@H]1CN(c2ncc(Br)cc2C)C[C@H]1C[NH3+] ZINC000405282122 418776022 /nfs/dbraw/zinc/77/60/22/418776022.db2.gz CCCCOANYYCDBBO-ZYHUDNBSSA-N 1 0 314.227 1.953 10 0 DDAERO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)n1 ZINC000583618847 422204956 /nfs/dbraw/zinc/20/49/56/422204956.db2.gz RXYNHLIUDLUQQG-LXZKKBNFSA-N 1 0 306.406 1.848 10 0 DDAERO CC(C)OC1CC([NH2+][C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)C1 ZINC000583619505 422205417 /nfs/dbraw/zinc/20/54/17/422205417.db2.gz VKYDZOKFHWKGIF-BOXZVXIZSA-N 1 0 303.406 1.899 10 0 DDAERO O=C(NCc1ccc(Br)cc1)[C@@H]1C[NH2+]CCOC1 ZINC000643627008 423223967 /nfs/dbraw/zinc/22/39/67/423223967.db2.gz HORFQTICZKSMSF-LLVKDONJSA-N 1 0 313.195 1.301 10 0 DDAERO CCC[C@@H](C(=O)NCCN1C(=O)c2ccccc2C1=O)[NH+](C)C ZINC000179596416 263361491 /nfs/dbraw/zinc/36/14/91/263361491.db2.gz MENVYSHWPLSMKT-AWEZNQCLSA-N 1 0 317.389 1.129 10 0 DDAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@@]2(CO)CCOC2)C1 ZINC000184181183 263385316 /nfs/dbraw/zinc/38/53/16/263385316.db2.gz ZJANFRSCPBSMIE-CZUORRHYSA-N 1 0 314.426 1.375 10 0 DDAERO O=C([C@H]1CCCN1c1nccs1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246383122 275008107 /nfs/dbraw/zinc/00/81/07/275008107.db2.gz HRYSJORTLIXLGS-UONOGXRCSA-N 1 0 320.462 1.809 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccccc1OC ZINC000176889194 276179610 /nfs/dbraw/zinc/17/96/10/276179610.db2.gz JGLSSJWLIWRPPL-ZDUSSCGKSA-N 1 0 319.405 1.576 10 0 DDAERO CC(C)(C)N1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)CC1=O ZINC000262027737 277164131 /nfs/dbraw/zinc/16/41/31/277164131.db2.gz XFWHUTMZJRBYKO-LXTVHRRPSA-N 1 0 309.454 1.133 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1nccn(C)c1=O ZINC000183809888 277393863 /nfs/dbraw/zinc/39/38/63/277393863.db2.gz BJYTWUBWCWTYHZ-GFCCVEGCSA-N 1 0 307.398 1.022 10 0 DDAERO COc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])c(C)c1F ZINC000193289697 277923046 /nfs/dbraw/zinc/92/30/46/277923046.db2.gz RTLYSNQVHJYUCH-MNOVXSKESA-N 1 0 316.398 1.548 10 0 DDAERO O=C(N[C@@H]1CCOc2ccccc21)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000333441561 279908612 /nfs/dbraw/zinc/90/86/12/279908612.db2.gz WDQXVCODQDLMIR-UMVBOHGHSA-N 1 0 301.390 1.761 10 0 DDAERO C[C@](C[NH3+])(NS(=O)(=O)c1cccc2c1N=S=N2)C1CC1 ZINC000133749610 280140210 /nfs/dbraw/zinc/14/02/10/280140210.db2.gz WDQCBVDFWIPEDV-GFCCVEGCSA-N 1 0 312.420 1.819 10 0 DDAERO C[C@@H]1CN([C@@H](CNC(=O)[C@H]2CCC[NH2+]2)c2cccs2)CCO1 ZINC000245972429 288247289 /nfs/dbraw/zinc/24/72/89/288247289.db2.gz OEQWJNYNKMPGEK-MCIONIFRSA-N 1 0 323.462 1.378 10 0 DDAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC(=O)Nc1ccccc1 ZINC000080082941 281000007 /nfs/dbraw/zinc/00/00/07/281000007.db2.gz SJCATAFFVRVNAD-HNNXBMFYSA-N 1 0 320.437 1.901 10 0 DDAERO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000105933206 281051472 /nfs/dbraw/zinc/05/14/72/281051472.db2.gz NVFUNWBKPCWOGC-ZIAGYGMSSA-N 1 0 321.421 1.333 10 0 DDAERO Ic1cnc(NC[C@H]2CCC[NH2+]2)nc1 ZINC000126246546 281231910 /nfs/dbraw/zinc/23/19/10/281231910.db2.gz VRZWWQGSEQJDAJ-MRVPVSSYSA-N 1 0 304.135 1.245 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)N1CCCCCC1 ZINC000173831592 288311854 /nfs/dbraw/zinc/31/18/54/288311854.db2.gz NKBPDVZHUZLYON-LSDHHAIUSA-N 1 0 315.483 1.666 10 0 DDAERO CCOCCC1(C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)CCC1 ZINC000126798002 281252790 /nfs/dbraw/zinc/25/27/90/281252790.db2.gz DYOSRNHCVNAGJJ-HUUCEWRRSA-N 1 0 312.454 1.497 10 0 DDAERO C[NH+](C)C[C@@H]1CN(Cc2cc(-c3ccccc3)n[nH]2)CCO1 ZINC000128207878 281303203 /nfs/dbraw/zinc/30/32/03/281303203.db2.gz QREJHRJMJSNVHS-MRXNPFEDSA-N 1 0 300.406 1.839 10 0 DDAERO CC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000247094839 282034298 /nfs/dbraw/zinc/03/42/98/282034298.db2.gz PZPGZERFQLAIKD-RRFJBIMHSA-N 1 0 310.442 1.169 10 0 DDAERO CC(C)[N@@H+]1C[C@H](NC(=O)N[C@H](C)CO[C@@H]2CCOC2)[C@@H](C)C1 ZINC000247375692 282049269 /nfs/dbraw/zinc/04/92/69/282049269.db2.gz PLUPXIPNJUQMKL-YJNKXOJESA-N 1 0 313.442 1.208 10 0 DDAERO COc1cc(OC)cc(S(=O)(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000262762583 295012117 /nfs/dbraw/zinc/01/21/17/295012117.db2.gz SGUSCOHHSQRJLD-IINYFYTJSA-N 1 0 314.407 1.110 10 0 DDAERO CC(C)c1nnc(CN2CC[NH+](CC3CCOCC3)CC2)n1C ZINC000172422092 298247703 /nfs/dbraw/zinc/24/77/03/298247703.db2.gz BAEYKBZRBNDQCU-UHFFFAOYSA-N 1 0 321.469 1.483 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(C(=O)N(C)C)c1 ZINC000113228313 300314771 /nfs/dbraw/zinc/31/47/71/300314771.db2.gz STBTWJVJGFGLOG-XJKSGUPXSA-N 1 0 315.417 1.697 10 0 DDAERO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)C1 ZINC000328911679 303225254 /nfs/dbraw/zinc/22/52/54/303225254.db2.gz OILBVPBXIKRAAL-XUJVJEKNSA-N 1 0 322.409 1.247 10 0 DDAERO Cc1n[nH]c(CC[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000392343032 307294567 /nfs/dbraw/zinc/29/45/67/307294567.db2.gz CVYPRDLYGASAPP-ZDUSSCGKSA-N 1 0 323.441 1.892 10 0 DDAERO O=C1[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C(=O)N1C[C@H]1CCCO1 ZINC000575444878 337116745 /nfs/dbraw/zinc/11/67/45/337116745.db2.gz YXVKLNBRSDRYBB-BZUAXINKSA-N 1 0 314.385 1.282 10 0 DDAERO OCC[NH+]1CCN(CCCC2=N[C@@H](c3ccccc3)NO2)CC1 ZINC000584620900 337374844 /nfs/dbraw/zinc/37/48/44/337374844.db2.gz OZRPJJJAWHVAGT-QGZVFWFLSA-N 1 0 318.421 1.009 10 0 DDAERO CO[C@@]1(CO)CCC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000401792556 484008622 /nfs/dbraw/zinc/00/86/22/484008622.db2.gz XGDJZBZZJZNWRI-SJORKVTESA-N 1 0 309.406 1.037 10 0 DDAERO CNS(=O)(=O)c1cc(NC(=O)C[C@H]([NH3+])C(C)C)ccc1C ZINC000136346141 484035692 /nfs/dbraw/zinc/03/56/92/484035692.db2.gz RXNQZGFMOLQOTN-LBPRGKRZSA-N 1 0 313.423 1.215 10 0 DDAERO CN(C(=O)c1cc(Br)c[nH]1)[C@@H]1CCC[NH2+]CC1 ZINC000231481330 484169920 /nfs/dbraw/zinc/16/99/20/484169920.db2.gz VPXXAUVBVHXHTK-SNVBAGLBSA-N 1 0 300.200 1.991 10 0 DDAERO CC(C)CCC1CCN(C(=O)[C@H]([NH3+])CCS(C)(=O)=O)CC1 ZINC000236690635 484181975 /nfs/dbraw/zinc/18/19/75/484181975.db2.gz ABONIGXTHGJIIF-CQSZACIVSA-N 1 0 318.483 1.423 10 0 DDAERO COCC[N@H+](C)CCNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000245383667 484214122 /nfs/dbraw/zinc/21/41/22/484214122.db2.gz 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[NH3+][C@H](Cc1ccc(F)c(Br)c1)[C@@H]1COCCO1 ZINC000087857372 185233718 /nfs/dbraw/zinc/23/37/18/185233718.db2.gz CDFQFHOVXUFYQN-NEPJUHHUSA-N 1 0 304.159 1.873 10 0 DDAERO CCN(C[C@H]1CCCO1)c1nc(NN)[nH+]cc1Br ZINC000087864488 185233749 /nfs/dbraw/zinc/23/37/49/185233749.db2.gz KQUCEXSRBVQHIN-MRVPVSSYSA-N 1 0 316.203 1.530 10 0 DDAERO COc1ccc(Br)cc1CN1CCC[NH2+]CC1=O ZINC000087882092 185234414 /nfs/dbraw/zinc/23/44/14/185234414.db2.gz VDARIHOKERMNBN-UHFFFAOYSA-N 1 0 313.195 1.780 10 0 DDAERO COC(=O)CS(=O)(=O)[C@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000081976478 192347982 /nfs/dbraw/zinc/34/79/82/192347982.db2.gz LTMRCELJRZQELE-RDBSUJKOSA-N 1 0 311.403 1.238 10 0 DDAERO CCC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@H](S(=O)(=O)CCC(=O)OC)C1 ZINC000081975324 192347992 /nfs/dbraw/zinc/34/79/92/192347992.db2.gz YEJKRQFESHSPHQ-JHJVBQTASA-N 1 0 319.467 1.897 10 0 DDAERO CCN1CCO[C@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000165248902 539225942 /nfs/dbraw/zinc/22/59/42/539225942.db2.gz LEEXVUVWXHXWJL-CYBMUJFWSA-N 1 0 309.376 1.323 10 0 DDAERO C[NH2+]CCS(=O)(=O)Nc1cc(OC)ccc1Br ZINC000088331440 185246071 /nfs/dbraw/zinc/24/60/71/185246071.db2.gz ZJIJEUFKZZFCLL-UHFFFAOYSA-N 1 0 323.212 1.419 10 0 DDAERO CCC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1S(=O)(=O)CC(=O)OC ZINC000081975963 192348611 /nfs/dbraw/zinc/34/86/11/192348611.db2.gz WNFJDYUDEFUOSU-NEPJUHHUSA-N 1 0 305.440 1.521 10 0 DDAERO CC[C@H](C[NH3+])S(=O)(=O)N1CCN(c2ccccc2F)CC1 ZINC000088472889 185252433 /nfs/dbraw/zinc/25/24/33/185252433.db2.gz GMKHAJTYQXOYGE-GFCCVEGCSA-N 1 0 315.414 1.015 10 0 DDAERO Cc1cc(=O)[nH]c(SC[C@H](O)[C@H]([NH3+])Cc2ccccc2)n1 ZINC000088398306 185248580 /nfs/dbraw/zinc/24/85/80/185248580.db2.gz IDQIZBAIROMSQU-OLZOCXBDSA-N 1 0 305.403 1.101 10 0 DDAERO CC(C)[NH2+][C@](C)(CCN1CCC[C@H](C(F)(F)F)C1)C(N)=O ZINC000088435203 185250047 /nfs/dbraw/zinc/25/00/47/185250047.db2.gz NSNATNFLSUWBBG-WCQYABFASA-N 1 0 309.376 1.893 10 0 DDAERO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@@H]1CCCO1 ZINC000088493017 185253993 /nfs/dbraw/zinc/25/39/93/185253993.db2.gz ZYNRURYUJSXNJY-HIFRSBDPSA-N 1 0 309.410 1.920 10 0 DDAERO C[NH2+]CCN(C)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000263229003 290660722 /nfs/dbraw/zinc/66/07/22/290660722.db2.gz HKSXZMFCMOILNE-GDBMZVCRSA-N 1 0 303.406 1.274 10 0 DDAERO CCOC(=O)[C@H]1C[NH2+]CCN1c1cccc(C(F)(F)F)n1 ZINC000088673146 185262193 /nfs/dbraw/zinc/26/21/93/185262193.db2.gz OAHLJZFGIJYMQU-SECBINFHSA-N 1 0 303.284 1.442 10 0 DDAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)Nc1c(F)cc(F)cc1F ZINC000088722836 185263348 /nfs/dbraw/zinc/26/33/48/185263348.db2.gz MTLVOJBHUAJOCH-QMMMGPOBSA-N 1 0 308.325 1.845 10 0 DDAERO CC[NH2+][C@H](C)c1ccc(S(=O)(=O)NCc2c[nH]cn2)cc1 ZINC000088751544 185264133 /nfs/dbraw/zinc/26/41/33/185264133.db2.gz CGBREFMYCYBTJV-LLVKDONJSA-N 1 0 308.407 1.559 10 0 DDAERO CC[NH2+]CCc1nnc(-c2cccc(S(C)(=O)=O)c2)s1 ZINC000088822749 185266622 /nfs/dbraw/zinc/26/66/22/185266622.db2.gz OMTCZAVSWPMFDZ-UHFFFAOYSA-N 1 0 311.432 1.761 10 0 DDAERO CC[C@@H]1C[NH2+][C@H](c2ccccc2)CN1[C@H]1C=CS(=O)(=O)C1 ZINC000088860230 185267422 /nfs/dbraw/zinc/26/74/22/185267422.db2.gz IQUTWYQROLHSBP-PMPSAXMXSA-N 1 0 306.431 1.722 10 0 DDAERO C[NH2+][C@@H](C)c1ccc(OC)c(CS(=O)(=O)CCCOC)c1 ZINC000081985136 192349380 /nfs/dbraw/zinc/34/93/80/192349380.db2.gz DPUNKXONYAGIFF-LBPRGKRZSA-N 1 0 315.435 1.927 10 0 DDAERO Brc1ccc(CN2CC(N3CC[NH2+]CC3)C2)o1 ZINC000090308551 185290263 /nfs/dbraw/zinc/29/02/63/185290263.db2.gz PJSAYXFIMXHYEM-UHFFFAOYSA-N 1 0 300.200 1.132 10 0 DDAERO COc1cc(C)c(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000090321883 185291023 /nfs/dbraw/zinc/29/10/23/185291023.db2.gz XGTMXUVBVNKFOI-STQMWFEESA-N 1 0 310.419 1.152 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1Cc1cc(=O)n2ccsc2n1 ZINC000090337693 185291850 /nfs/dbraw/zinc/29/18/50/185291850.db2.gz LKZYXIUDIMXYHR-PWSUYJOCSA-N 1 0 304.419 1.186 10 0 DDAERO C[C@@H](C[NH3+])CSCC(=O)NC(=O)c1ccc(Cl)cc1 ZINC000090350754 185292177 /nfs/dbraw/zinc/29/21/77/185292177.db2.gz OJLXIGHEXKOEOM-VIFPVBQESA-N 1 0 300.811 1.924 10 0 DDAERO [NH3+][C@H]1COC[C@H]1c1nc(Cc2ccccc2Br)no1 ZINC000090364737 185292774 /nfs/dbraw/zinc/29/27/74/185292774.db2.gz FFFVDOMBSGAMAT-KOLCDFICSA-N 1 0 324.178 1.864 10 0 DDAERO [NH3+][C@@H]1COC[C@H]1C(=O)Nc1cc(Br)ccc1F ZINC000090379310 185293627 /nfs/dbraw/zinc/29/36/27/185293627.db2.gz JEAAICSTOIREQB-VXNVDRBHSA-N 1 0 303.131 1.500 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000090431504 185295786 /nfs/dbraw/zinc/29/57/86/185295786.db2.gz PLCPVDHHPPOCSZ-GZMMTYOYSA-N 1 0 314.769 1.530 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccccc1OC(F)(F)F ZINC000090431644 185295962 /nfs/dbraw/zinc/29/59/62/185295962.db2.gz FWUGBEPZROPFGE-PSASIEDQSA-N 1 0 304.268 1.758 10 0 DDAERO CCC[NH2+][C@H]1COC[C@@H]1CN1CCN(c2nccs2)CC1 ZINC000090566003 185304242 /nfs/dbraw/zinc/30/42/42/185304242.db2.gz CFYDGIWUHWXMGS-KBPBESRZSA-N 1 0 310.467 1.280 10 0 DDAERO CCC[C@@H](C(N)=S)[NH+]1CCN(Cc2cccc(C)n2)CC1 ZINC000092429242 185317929 /nfs/dbraw/zinc/31/79/29/185317929.db2.gz JHKSMNGDWSKPNC-HNNXBMFYSA-N 1 0 306.479 1.962 10 0 DDAERO CCc1ccc(N)cc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000092621902 185330111 /nfs/dbraw/zinc/33/01/11/185330111.db2.gz RNJGKOLBZQZHCJ-CQSZACIVSA-N 1 0 311.451 1.546 10 0 DDAERO COc1ccc(Cl)c(NC(=O)c2cn(C3C[NH2+]C3)nn2)c1 ZINC000092702130 185334046 /nfs/dbraw/zinc/33/40/46/185334046.db2.gz YEBQBXUESIVOEV-UHFFFAOYSA-N 1 0 307.741 1.337 10 0 DDAERO CC[NH2+]Cc1[nH]nc(C)c1S(=O)(=O)NC1C(C)(C)C1(C)C ZINC000092833206 185344981 /nfs/dbraw/zinc/34/49/81/185344981.db2.gz IJUPAZFLDNSNIB-UHFFFAOYSA-N 1 0 314.455 1.541 10 0 DDAERO CCn1cnc(S(=O)(=O)N[C@@]2(C[NH3+])CCC[C@H](C)C2)c1 ZINC000092910897 185348614 /nfs/dbraw/zinc/34/86/14/185348614.db2.gz BGRQHACQLVRVCQ-AAEUAGOBSA-N 1 0 300.428 1.089 10 0 DDAERO COC(=O)c1c2c(sc1NC(=O)[C@@H]1CC[NH2+][C@@H]1C)CCC2 ZINC000092956085 185350430 /nfs/dbraw/zinc/35/04/30/185350430.db2.gz FESYULWTSHZJGI-RKDXNWHRSA-N 1 0 308.403 1.960 10 0 DDAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000111264456 185568282 /nfs/dbraw/zinc/56/82/82/185568282.db2.gz WXDWEGHNNHFOSA-ONGXEEELSA-N 1 0 309.797 1.836 10 0 DDAERO CCN1CCO[C@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000389853955 539509490 /nfs/dbraw/zinc/50/94/90/539509490.db2.gz YHSGDJYWQRGDIB-QXAKKESOSA-N 1 0 317.477 1.817 10 0 DDAERO CC[NH2+][C@H](C)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 ZINC000111713642 185629010 /nfs/dbraw/zinc/62/90/10/185629010.db2.gz MMWMWTOOGQMPSN-MFKMUULPSA-N 1 0 314.455 1.425 10 0 DDAERO C[C@]12C[C@@H](O)[C@@H](O)C[NH2+][C@@H]1CCCC(=O)N2Cc1ccccc1 ZINC000616428194 362691551 /nfs/dbraw/zinc/69/15/51/362691551.db2.gz ABRCSYKNWHVXOE-HPFXQQBRSA-N 1 0 318.417 1.042 10 0 DDAERO Cc1cnn(CC[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000123979682 185864165 /nfs/dbraw/zinc/86/41/65/185864165.db2.gz XISUFYSLZNTEJF-ZDUSSCGKSA-N 1 0 307.419 1.946 10 0 DDAERO CCNS(=O)(=O)c1ccccc1N1CCCC[C@@H]1CC[NH3+] ZINC000070073875 190855029 /nfs/dbraw/zinc/85/50/29/190855029.db2.gz HBQJZRXXOXALOL-CYBMUJFWSA-N 1 0 311.451 1.693 10 0 DDAERO CCC[NH2+][C@@H](C)[C@@H]1CCCCN1S(=O)(=O)c1c[nH]cn1 ZINC000070415111 190887304 /nfs/dbraw/zinc/88/73/04/190887304.db2.gz OHFHAKQVLYQUBX-RYUDHWBXSA-N 1 0 300.428 1.341 10 0 DDAERO CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170844316 197834515 /nfs/dbraw/zinc/83/45/15/197834515.db2.gz ORNCMZXZWZHTLT-GFCCVEGCSA-N 1 0 323.368 1.325 10 0 DDAERO CC[C@H](C)[C@H]1CN(CCS(C)(=O)=O)[C@H](C(C)(C)C)C[NH2+]1 ZINC000071355527 190962044 /nfs/dbraw/zinc/96/20/44/190962044.db2.gz NZLBKNYTRZDDTR-MJBXVCDLSA-N 1 0 304.500 1.766 10 0 DDAERO CCCOc1ncccc1CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170834408 197834134 /nfs/dbraw/zinc/83/41/34/197834134.db2.gz FGXZIAIKIHPIOG-AWEZNQCLSA-N 1 0 306.410 1.716 10 0 DDAERO O=C1c2ccc(Br)cc2C(=O)N1[C@H]1CCC[NH2+]C1 ZINC000071397803 190966524 /nfs/dbraw/zinc/96/65/24/190966524.db2.gz MMXAEUVVEWQEEG-VIFPVBQESA-N 1 0 309.163 1.797 10 0 DDAERO C[NH2+][C@@H](C[S@@](=O)CCOC)c1cc(OC)ccc1OC ZINC000084035720 192396365 /nfs/dbraw/zinc/39/63/65/192396365.db2.gz FFKAWGBIYDKVNF-RNODOKPDSA-N 1 0 301.408 1.359 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN([C@@H](CC)C(=O)OCC)CC1 ZINC000084103524 192402441 /nfs/dbraw/zinc/40/24/41/192402441.db2.gz NXLORRJDNLRZLG-QWHCGFSZSA-N 1 0 315.483 1.401 10 0 DDAERO CC(C)NS(=O)(=O)c1ccc(C[NH3+])cc1Br ZINC000084174040 192408792 /nfs/dbraw/zinc/40/87/92/192408792.db2.gz IZGFUUNUDFNRHV-UHFFFAOYSA-N 1 0 307.213 1.595 10 0 DDAERO COC(=O)CS(=O)(=O)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000084271171 192419092 /nfs/dbraw/zinc/41/90/92/192419092.db2.gz MENJEKHCLICHOF-GRYCIOLGSA-N 1 0 305.440 1.364 10 0 DDAERO C[NH+](C)C[C@@H]1CN(c2ccnc(Cc3ccccc3)n2)CCO1 ZINC000272483268 209889315 /nfs/dbraw/zinc/88/93/15/209889315.db2.gz JMZZZZCGQGVIEQ-MRXNPFEDSA-N 1 0 312.417 1.834 10 0 DDAERO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2noc3c2CCCC3)CC1 ZINC000072144209 191050867 /nfs/dbraw/zinc/05/08/67/191050867.db2.gz PXXVJRPLPWAHOR-QGZVFWFLSA-N 1 0 321.421 1.472 10 0 DDAERO CNC(=O)c1ccc(C)c(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171888540 198002521 /nfs/dbraw/zinc/00/25/21/198002521.db2.gz HFEDMEKKRPQUCP-CQSZACIVSA-N 1 0 316.405 1.667 10 0 DDAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000623764687 366044880 /nfs/dbraw/zinc/04/48/80/366044880.db2.gz ITPLMZMYRWWYSM-NWDGAFQWSA-N 1 0 304.159 1.828 10 0 DDAERO Cc1ccc(-c2cc(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)[nH]n2)o1 ZINC000172305475 198075724 /nfs/dbraw/zinc/07/57/24/198075724.db2.gz IVEPJXJXOAMDDN-LBPRGKRZSA-N 1 0 318.377 1.381 10 0 DDAERO CCCCNC(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000174001233 198279231 /nfs/dbraw/zinc/27/92/31/198279231.db2.gz UHCSKEVFVJGNLB-LBPRGKRZSA-N 1 0 306.414 1.586 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccc3[nH]ccc3c2)C1 ZINC000174006918 198280286 /nfs/dbraw/zinc/28/02/86/198280286.db2.gz PMWSBBQQHHFTGY-ZDUSSCGKSA-N 1 0 300.362 1.269 10 0 DDAERO CNc1cc(N2CCC[C@@H]2CNC(=O)NCC2CCC2)ncn1 ZINC000174041762 198283806 /nfs/dbraw/zinc/28/38/06/198283806.db2.gz MAFBYBYKJUYWIW-CYBMUJFWSA-N 1 0 318.425 1.586 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(Cc2cc(C(=O)OC)c(C)o2)CC1 ZINC000174081014 198289219 /nfs/dbraw/zinc/28/92/19/198289219.db2.gz JPOFIYISNWDQMU-ZDUSSCGKSA-N 1 0 310.394 1.263 10 0 DDAERO C[NH+]1CCN(c2cc3ccc(F)cc3c(CC(N)=O)n2)CC1 ZINC000117719202 353995354 /nfs/dbraw/zinc/99/53/54/353995354.db2.gz ZRZAVZUTYLSVEY-UHFFFAOYSA-N 1 0 302.353 1.154 10 0 DDAERO O=C(c1cccnc1Br)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000176574261 198600713 /nfs/dbraw/zinc/60/07/13/198600713.db2.gz JZAYNHRBWMSCNB-JTQLQIEISA-N 1 0 310.195 1.764 10 0 DDAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)COC(C)(C)C ZINC000250153472 354380845 /nfs/dbraw/zinc/38/08/45/354380845.db2.gz LTCXNRLIYJYZFY-ZIAGYGMSSA-N 1 0 300.443 1.495 10 0 DDAERO CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262325183 354392418 /nfs/dbraw/zinc/39/24/18/354392418.db2.gz WVEJHCCOKVXZQO-ZNMIVQPWSA-N 1 0 309.454 1.515 10 0 DDAERO CCOCC[N@@H+]1CCN([C@@H](C)c2nc(C)cc(=O)[nH]2)C[C@H]1C ZINC000248709914 354370637 /nfs/dbraw/zinc/37/06/37/354370637.db2.gz BYONLTAUQLUXTD-KGLIPLIRSA-N 1 0 308.426 1.594 10 0 DDAERO Cn1cc(CCC[NH2+][C@H]2CCCC[C@H]2n2cc(CO)nn2)cn1 ZINC000328603081 354545461 /nfs/dbraw/zinc/54/54/61/354545461.db2.gz DQOMNMYIOKRAKX-JKSUJKDBSA-N 1 0 318.425 1.210 10 0 DDAERO Cn1cnnc1[C@@H]1C[N@H+](C[C@@H]2CCc3ccccc3C2)CCO1 ZINC000328630344 354553208 /nfs/dbraw/zinc/55/32/08/354553208.db2.gz JHEQQAYEZODESY-PBHICJAKSA-N 1 0 312.417 1.994 10 0 DDAERO Cc1csc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)n1 ZINC000328638475 354556063 /nfs/dbraw/zinc/55/60/63/354556063.db2.gz WLKCCQUATMVZCA-XHDPSFHLSA-N 1 0 319.434 1.494 10 0 DDAERO OCCN1CCC[C@H]([NH2+]Cc2ccc(Br)cc2)C1 ZINC000384577467 354630374 /nfs/dbraw/zinc/63/03/74/354630374.db2.gz MXLCZOBEIVMFIL-AWEZNQCLSA-N 1 0 313.239 1.995 10 0 DDAERO CCN1c2cc([C@@H](C3CC3)N3CC[NH2+]CC3)ccc2OCC1=O ZINC000075271135 191453326 /nfs/dbraw/zinc/45/33/26/191453326.db2.gz FKLRDSQWHYPJHF-GOSISDBHSA-N 1 0 315.417 1.788 10 0 DDAERO O=C(c1sccc1Br)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000085282464 192487961 /nfs/dbraw/zinc/48/79/61/192487961.db2.gz BHDSRJHXIWMNDS-HTQZYQBOSA-N 1 0 301.209 1.802 10 0 DDAERO CC(C)(C)CS(=O)(=O)NCc1ccc(C(N)=[NH2+])cc1F ZINC000080194284 192011577 /nfs/dbraw/zinc/01/15/77/192011577.db2.gz GGAKPKCBQILGRM-UHFFFAOYSA-N 1 0 301.387 1.575 10 0 DDAERO NS(=O)(=O)[C@H]1CC[C@@H](c2ccccc2C(F)(F)F)[NH2+]C1 ZINC000080100910 192001221 /nfs/dbraw/zinc/00/12/21/192001221.db2.gz QUDIMBZVDIOUPK-KWQFWETISA-N 1 0 308.325 1.787 10 0 DDAERO Cc1cc(Br)ccc1C(=O)NC[C@H]([NH3+])[C@H](C)O ZINC000080709043 192185084 /nfs/dbraw/zinc/18/50/84/192185084.db2.gz RUJODELWMINQFJ-KWQFWETISA-N 1 0 301.184 1.195 10 0 DDAERO C[C@H]([NH3+])[C@@H](N1CCn2c(nnc2C(F)(F)F)C1)C(F)(F)F ZINC000081530199 192284264 /nfs/dbraw/zinc/28/42/64/192284264.db2.gz XGDRXYZTRRDWQN-CAHLUQPWSA-N 1 0 317.237 1.391 10 0 DDAERO CC[NH+](CC)CCCNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1 ZINC000081674920 192310165 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CCOC(=O)N1CCC([NH2+][C@H]2CCC[C@H]2S(C)(=O)=O)CC1 ZINC000086670773 192588385 /nfs/dbraw/zinc/58/83/85/192588385.db2.gz BQQATTVWOCAEOW-QWHCGFSZSA-N 1 0 318.439 1.163 10 0 DDAERO O=C(NCC1(O)CCCCCC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000087089861 192622978 /nfs/dbraw/zinc/62/29/78/192622978.db2.gz FACYUEWPESBJSV-CYBMUJFWSA-N 1 0 308.344 1.730 10 0 DDAERO C[NH2+]CCCn1nc(C)c(S(=O)(=O)N2CCCCC2)c1C ZINC000088921705 192658027 /nfs/dbraw/zinc/65/80/27/192658027.db2.gz TUKUWKONHOQEPQ-UHFFFAOYSA-N 1 0 314.455 1.284 10 0 DDAERO CCC[NH2+]C[C@H]1CCCN(S(=O)(=O)N(C)C[C@@H](C)CC)C1 ZINC000088952683 192668188 /nfs/dbraw/zinc/66/81/88/192668188.db2.gz DZOJYHUHVQFZOV-LSDHHAIUSA-N 1 0 319.515 1.921 10 0 DDAERO CC[C@H]1COCCN1S(=O)(=O)Cc1ccc(C[NH2+]C)cc1 ZINC000088970144 192673924 /nfs/dbraw/zinc/67/39/24/192673924.db2.gz FFGLXUBPNTVNBQ-HNNXBMFYSA-N 1 0 312.435 1.347 10 0 DDAERO CC[NH2+]C[C@H]1CCCCN1S(=O)(=O)N1CCCSCC1 ZINC000088988439 192684061 /nfs/dbraw/zinc/68/40/61/192684061.db2.gz SPRWWHLFQBNLAH-CYBMUJFWSA-N 1 0 321.512 1.134 10 0 DDAERO CCC[NH2+]CCCn1cc(S(=O)(=O)NCC(C)(C)C)cn1 ZINC000088985424 192680140 /nfs/dbraw/zinc/68/01/40/192680140.db2.gz NXYMMXAPEOESGF-UHFFFAOYSA-N 1 0 316.471 1.597 10 0 DDAERO C[NH2+]CC1CCN(S(=O)(=O)N(CC(C)C)CC(C)C)CC1 ZINC000088987055 192683242 /nfs/dbraw/zinc/68/32/42/192683242.db2.gz VWFLXZWFNXHOOY-UHFFFAOYSA-N 1 0 319.515 1.777 10 0 DDAERO CCC[NH2+]CCCN(C)S(=O)(=O)N(C)Cc1ccoc1C ZINC000088990790 192683568 /nfs/dbraw/zinc/68/35/68/192683568.db2.gz BEVMGESVCXVUDZ-UHFFFAOYSA-N 1 0 317.455 1.586 10 0 DDAERO Cc1ccc2ncc(C[N@H+]3C[C@@H](C)[C@H](N4CCOCC4)C3)n2c1 ZINC000180237176 199134235 /nfs/dbraw/zinc/13/42/35/199134235.db2.gz AHZLJQMTDYQZRG-NVXWUHKLSA-N 1 0 314.433 1.795 10 0 DDAERO CCCCN([C@@H](C)CC)S(=O)(=O)c1cnn(CC[NH3+])c1 ZINC000089005849 192693115 /nfs/dbraw/zinc/69/31/15/192693115.db2.gz WRSXEEYXRCJHFR-LBPRGKRZSA-N 1 0 302.444 1.431 10 0 DDAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(N2CCCC2=O)cc1 ZINC000180487346 199164870 /nfs/dbraw/zinc/16/48/70/199164870.db2.gz FHATVSAFBLLECX-PBHICJAKSA-N 1 0 317.433 1.795 10 0 DDAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cccc(N2CCOC2=O)c1 ZINC000180500485 199168204 /nfs/dbraw/zinc/16/82/04/199168204.db2.gz WNMYUXPOGRCHMO-XJKSGUPXSA-N 1 0 319.405 1.624 10 0 DDAERO CC[NH2+]CCn1cc(S(=O)(=O)N(C)C(C)(C)CC)cn1 ZINC000089039439 192714009 /nfs/dbraw/zinc/71/40/09/192714009.db2.gz FZPFFEOGBDTLDB-UHFFFAOYSA-N 1 0 302.444 1.302 10 0 DDAERO C[NH2+]Cc1cccc(CS(=O)(=O)N2CCCO[C@@H](C)C2)c1 ZINC000089027392 192706227 /nfs/dbraw/zinc/70/62/27/192706227.db2.gz LVUBNOLWBPOYAU-ZDUSSCGKSA-N 1 0 312.435 1.347 10 0 DDAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000089395506 192780076 /nfs/dbraw/zinc/78/00/76/192780076.db2.gz KFKIBHINVWLTCW-NWDGAFQWSA-N 1 0 307.360 1.458 10 0 DDAERO Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000237733412 202340990 /nfs/dbraw/zinc/34/09/90/202340990.db2.gz YPMVVLRIGNTSCX-LBPRGKRZSA-N 1 0 319.434 1.805 10 0 DDAERO [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(CCc3ccccc3)CC2)C1 ZINC000237861614 202372427 /nfs/dbraw/zinc/37/24/27/202372427.db2.gz DWHDOKCANBJKQG-SJORKVTESA-N 1 0 301.434 1.501 10 0 DDAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccccc1N(C)C(=O)C1CC1 ZINC000193606947 201086617 /nfs/dbraw/zinc/08/66/17/201086617.db2.gz YGXHFNNBUMLIKP-DOMZBBRYSA-N 1 0 315.417 1.930 10 0 DDAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CCN1C(=O)CCc2ccccc21 ZINC000193573491 201078942 /nfs/dbraw/zinc/07/89/42/201078942.db2.gz GFWFSYCUIOGDEL-HIFRSBDPSA-N 1 0 315.417 1.613 10 0 DDAERO C[C@H](CC(=O)N[C@H]1CCC[NH2+][C@@H]1C)NC(=O)C1CCCCC1 ZINC000193602527 201083502 /nfs/dbraw/zinc/08/35/02/201083502.db2.gz NORMVQOIHKIVTI-NFAWXSAZSA-N 1 0 309.454 1.718 10 0 DDAERO COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1OC(=O)c1ccccc1)[N@@H+]2C ZINC000006482570 181344256 /nfs/dbraw/zinc/34/42/56/181344256.db2.gz ZPUCINDJVBIVPJ-QPSCCSFWSA-N 1 0 303.358 1.868 10 0 biogenic,in-vitro DDAERO CNC(=O)[C@H](C)[NH2+]C[C@H]1Cc2cc(Br)ccc2O1 ZINC000090903957 192943006 /nfs/dbraw/zinc/94/30/06/192943006.db2.gz RXFMBQQEAZAUCL-GZMMTYOYSA-N 1 0 313.195 1.477 10 0 DDAERO CC(C)C[C@H](C[NH3+])CCN1CCSC[C@@H]1S(C)(=O)=O ZINC000090925476 192948995 /nfs/dbraw/zinc/94/89/95/192948995.db2.gz ZHWZFLRDJDEHFP-OLZOCXBDSA-N 1 0 308.513 1.417 10 0 DDAERO CCS(=O)(=O)[C@H]1CSCCN1CCCC[NH2+]CC(C)C ZINC000090928194 192950848 /nfs/dbraw/zinc/95/08/48/192950848.db2.gz HHEMBTTWHOSWIK-AWEZNQCLSA-N 1 0 322.540 1.822 10 0 DDAERO O=C(C[C@H]1CSCC[NH2+]1)Nc1ccc(Br)cn1 ZINC000091134258 193000261 /nfs/dbraw/zinc/00/02/61/193000261.db2.gz LUBRPWAOBPYXBB-VIFPVBQESA-N 1 0 316.224 1.878 10 0 DDAERO Cn1c(C[C@@H]2C[NH2+]CCO2)nc2cc(Br)ccc21 ZINC000091293250 193032638 /nfs/dbraw/zinc/03/26/38/193032638.db2.gz BATABSLRHSWEDW-SNVBAGLBSA-N 1 0 310.195 1.867 10 0 DDAERO O=C(C[C@H]1C[NH2+]CCO1)Nc1ccc(Br)cn1 ZINC000091299275 193034875 /nfs/dbraw/zinc/03/48/75/193034875.db2.gz GVAMQFHYAPEUEV-VIFPVBQESA-N 1 0 300.156 1.161 10 0 DDAERO [NH3+]C[C@H](CC(=O)NC1CC1)Nc1cccc(Br)c1 ZINC000091320223 193038700 /nfs/dbraw/zinc/03/87/00/193038700.db2.gz QARMBALHZINLSD-LBPRGKRZSA-N 1 0 312.211 1.857 10 0 DDAERO O=C(Nc1cc2c(cc1Br)OCCO2)C1C[NH2+]C1 ZINC000091395877 193050703 /nfs/dbraw/zinc/05/07/03/193050703.db2.gz XDNFTUSMUCLKPM-UHFFFAOYSA-N 1 0 313.151 1.378 10 0 DDAERO C[NH+](C)[C@H]1CCCN(c2nc(Cl)nc(-n3cccn3)n2)C1 ZINC000091431382 193055217 /nfs/dbraw/zinc/05/52/17/193055217.db2.gz QLMHMVVRTIKYAX-JTQLQIEISA-N 1 0 307.789 1.241 10 0 DDAERO C[C@@H](NC(=O)NCC[NH+](C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000133371473 296079895 /nfs/dbraw/zinc/07/98/95/296079895.db2.gz AGFBQUHEVJBRLL-LLVKDONJSA-N 1 0 313.423 1.012 10 0 DDAERO C[C@@](O)(C[NH3+])Cc1nc(-c2ccc(Br)cc2)no1 ZINC000091522068 193068581 /nfs/dbraw/zinc/06/85/81/193068581.db2.gz UJTYWOOZWPPLJF-LBPRGKRZSA-N 1 0 312.167 1.751 10 0 DDAERO CSC1(C[NH3+])CCN(c2nccn(C(C)(C)C)c2=O)CC1 ZINC000091471866 193061029 /nfs/dbraw/zinc/06/10/29/193061029.db2.gz VLTZDBDOGQUKDM-UHFFFAOYSA-N 1 0 310.467 1.659 10 0 DDAERO CC(=O)Nc1ccsc1CNC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091666632 193087546 /nfs/dbraw/zinc/08/75/46/193087546.db2.gz XKHIWFKSMXHFOD-OLZOCXBDSA-N 1 0 309.435 1.659 10 0 DDAERO Nc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1Cl ZINC000091668913 193088112 /nfs/dbraw/zinc/08/81/12/193088112.db2.gz PHHSEFVYMLPCFW-VXGBXAGGSA-N 1 0 309.797 1.515 10 0 DDAERO Clc1nc(Cl)nc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000091677146 193088799 /nfs/dbraw/zinc/08/87/99/193088799.db2.gz NPQHTWBMXBMWTG-HTQZYQBOSA-N 1 0 304.181 1.454 10 0 DDAERO CCc1nn(C)c(C[C@@H]([NH2+]C)[C@@H]2CN(C)CCO2)c1Cl ZINC000091717695 193097408 /nfs/dbraw/zinc/09/74/08/193097408.db2.gz SXQNJLOSJIGVDM-YPMHNXCESA-N 1 0 300.834 1.097 10 0 DDAERO CCC[NH2+]C1CCC(N(C)S(=O)(=O)c2c[nH]cn2)CC1 ZINC000091869858 193121042 /nfs/dbraw/zinc/12/10/42/193121042.db2.gz HZRSYACXAYABJI-UHFFFAOYSA-N 1 0 300.428 1.341 10 0 DDAERO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1nnc2n1CCCCC2 ZINC000261649689 296096668 /nfs/dbraw/zinc/09/66/68/296096668.db2.gz DLHPWBYPRWUPDT-JHJVBQTASA-N 1 0 305.426 1.557 10 0 DDAERO CNC(=O)[C@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000092100104 193158114 /nfs/dbraw/zinc/15/81/14/193158114.db2.gz ULQHXOZQPAHLLO-OAHLLOKOSA-N 1 0 314.389 1.796 10 0 DDAERO CN(C)C(=O)c1ccc(Cl)cc1NC(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092202236 193173009 /nfs/dbraw/zinc/17/30/09/193173009.db2.gz VOMLZEBZMOOETA-ONGXEEELSA-N 1 0 307.781 1.884 10 0 DDAERO Cc1cccc(C)c1OC[C@@H](C)NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261909979 203151454 /nfs/dbraw/zinc/15/14/54/203151454.db2.gz XLBNFGSKRLBXHG-KFWWJZLASA-N 1 0 306.406 1.693 10 0 DDAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)CCc1ccccc1 ZINC000262495130 203309146 /nfs/dbraw/zinc/30/91/46/203309146.db2.gz ZXKIZCWQFBFOKJ-UHFFFAOYSA-N 1 0 313.405 1.853 10 0 DDAERO O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000262507197 203313343 /nfs/dbraw/zinc/31/33/43/203313343.db2.gz JGIWWBCFWQARQP-IXDOHACOSA-N 1 0 318.417 1.480 10 0 DDAERO CCc1nc(NC(=O)[C@@H]([NH3+])CCSC)sc1C(=O)OC ZINC000262518029 203316669 /nfs/dbraw/zinc/31/66/69/203316669.db2.gz DAGDXYXXHVQZBI-ZETCQYMHSA-N 1 0 317.436 1.511 10 0 DDAERO C[NH2+]CCC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000262601742 203346370 /nfs/dbraw/zinc/34/63/70/203346370.db2.gz XTVYYMUQESZBOF-VIFPVBQESA-N 1 0 302.371 1.016 10 0 DDAERO CCOC(=O)[C@@H]1CSCCN1C(=O)C1CCC(C[NH3+])CC1 ZINC000093425201 193249458 /nfs/dbraw/zinc/24/94/58/193249458.db2.gz CSDBYYHHMZAYIS-BPCQOVAHSA-N 1 0 314.451 1.259 10 0 DDAERO CC(C)(C)c1nc2c(n1CC(C)(C)S(C)(=O)=O)CC[NH2+]C2 ZINC000093525641 193263680 /nfs/dbraw/zinc/26/36/80/193263680.db2.gz TYFCXDDDIPCEHG-UHFFFAOYSA-N 1 0 313.467 1.650 10 0 DDAERO CC(C)(C)[C@@H](CC[NH3+])CCC(=O)NCC(C)(C)S(C)(=O)=O ZINC000093525909 193263983 /nfs/dbraw/zinc/26/39/83/193263983.db2.gz FPSAYYXYWIACGE-GFCCVEGCSA-N 1 0 320.499 1.717 10 0 DDAERO CN(C)C(=O)c1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)[nH]1 ZINC000093585282 193270362 /nfs/dbraw/zinc/27/03/62/193270362.db2.gz QHSLKVCSFKBYTD-CXAGYDPISA-N 1 0 305.422 1.844 10 0 DDAERO COC(=O)[C@@]1([NH3+])CCC[C@H]1CCSc1nc(C)cc(=O)[nH]1 ZINC000093629320 193276084 /nfs/dbraw/zinc/27/60/84/193276084.db2.gz GHRIGEDMCLTQHD-IINYFYTJSA-N 1 0 311.407 1.231 10 0 DDAERO CN(C)c1nnc(SCC[C@@H]2CCC[C@@]2([NH3+])C(N)=O)s1 ZINC000093631054 193277696 /nfs/dbraw/zinc/27/76/96/193277696.db2.gz AKPQUMFTTZDMOG-UFBFGSQYSA-N 1 0 315.468 1.069 10 0 DDAERO C[C@@H]1CC[C@@](C[NH3+])(OC[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000093695777 193290476 /nfs/dbraw/zinc/29/04/76/193290476.db2.gz TZIDFBUPRBXFNC-MGPQQGTHSA-N 1 0 304.456 1.192 10 0 DDAERO CC[NH2+][C@H](CCCOC)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700412 193294092 /nfs/dbraw/zinc/29/40/92/193294092.db2.gz BQHQQAVFSUSGMM-ZIAGYGMSSA-N 1 0 306.472 1.453 10 0 DDAERO CC[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ncccn1 ZINC000093700047 193294333 /nfs/dbraw/zinc/29/43/33/193294333.db2.gz YLJMLQPMYXCATK-STQMWFEESA-N 1 0 312.439 1.189 10 0 DDAERO C[NH2+][C@]1(C(N)=O)CCC[C@@H](n2cc(Br)cn2)C1 ZINC000093758765 193301937 /nfs/dbraw/zinc/30/19/37/193301937.db2.gz KIGYJEDWPFKGNA-MWLCHTKSSA-N 1 0 301.188 1.204 10 0 DDAERO CCOC(=O)[C@]1(NC)CC[C@H]([N@H+](CCOC)CC(C)C)C1 ZINC000093826690 193312717 /nfs/dbraw/zinc/31/27/17/193312717.db2.gz KPWXFBTYBKYHNU-HOCLYGCPSA-N 1 0 300.443 1.665 10 0 DDAERO CCN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000093878218 193322502 /nfs/dbraw/zinc/32/25/02/193322502.db2.gz JWVSBMBGZLWAKN-UHFFFAOYSA-N 1 0 314.451 1.999 10 0 DDAERO CCCN(CC(C)(C)C[NH3+])c1ccccc1S(=O)(=O)NC ZINC000093892560 193323936 /nfs/dbraw/zinc/32/39/36/193323936.db2.gz DXXPVZNNRWVRJF-UHFFFAOYSA-N 1 0 313.467 1.796 10 0 DDAERO CCC[NH2+][C@@H](Cc1ccncc1Cl)[C@@H]1CN(C)CCN1C ZINC000093895815 193324677 /nfs/dbraw/zinc/32/46/77/193324677.db2.gz TVZIUBOOMNVPOB-HOTGVXAUSA-N 1 0 310.873 1.892 10 0 DDAERO COc1cccc([C@H]([C@H](C)[NH3+])N(C)CCS(C)(=O)=O)c1 ZINC000094297288 193356579 /nfs/dbraw/zinc/35/65/79/193356579.db2.gz IZPKNTZMIHUNMG-FZMZJTMJSA-N 1 0 300.424 1.060 10 0 DDAERO CN(CCS(C)(=O)=O)[C@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000094297716 193356746 /nfs/dbraw/zinc/35/67/46/193356746.db2.gz IWPMKBASJRAXRK-OAHLLOKOSA-N 1 0 312.479 1.960 10 0 DDAERO CC[C@@H]1C(=O)NCCN1c1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334296 193360324 /nfs/dbraw/zinc/36/03/24/193360324.db2.gz DRXZUYJDMVNBGY-SECBINFHSA-N 1 0 302.300 1.274 10 0 DDAERO C[N@@H+]1CCCN(c2nc(C(F)(F)F)ccc2C(N)=O)CC1 ZINC000094334890 193360624 /nfs/dbraw/zinc/36/06/24/193360624.db2.gz IVUQTMAZPPOTBI-UHFFFAOYSA-N 1 0 302.300 1.341 10 0 DDAERO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2C(N)=O)CC[C@@H]1[NH3+] ZINC000094342596 193362865 /nfs/dbraw/zinc/36/28/65/193362865.db2.gz ZYYAELWIKFFKIM-KCJUWKMLSA-N 1 0 301.312 1.978 10 0 DDAERO CC(C)[NH2+]Cc1cc(F)c(OCCS(C)(=O)=O)c(F)c1 ZINC000094347337 193363365 /nfs/dbraw/zinc/36/33/65/193363365.db2.gz OMYZJFCPYQBWCP-UHFFFAOYSA-N 1 0 307.362 1.886 10 0 DDAERO CCN1CCO[C@H](COc2c(F)cc(CC[NH3+])cc2F)C1 ZINC000094349789 193363468 /nfs/dbraw/zinc/36/34/68/193363468.db2.gz AQDDVXZFTQXABO-LBPRGKRZSA-N 1 0 300.349 1.566 10 0 DDAERO Cc1cc(N)c(C)c(S(=O)(=O)N(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000094358721 193364648 /nfs/dbraw/zinc/36/46/48/193364648.db2.gz BBFQLCGGTKIWTQ-CYBMUJFWSA-N 1 0 311.451 1.458 10 0 DDAERO NC(=O)c1ccc(N2CCC(OCCC[NH3+])CC2)cc1Cl ZINC000094073389 193343607 /nfs/dbraw/zinc/34/36/07/193343607.db2.gz CQKSQIJQFSCVAC-UHFFFAOYSA-N 1 0 311.813 1.773 10 0 DDAERO Cc1c(F)cc(N)cc1S(=O)(=O)NC1CC[NH+](C)CC1 ZINC000094359340 193365078 /nfs/dbraw/zinc/36/50/78/193365078.db2.gz NCALVLATSKITAH-UHFFFAOYSA-N 1 0 301.387 1.089 10 0 DDAERO CC[N@H+](C)CCNS(=O)(=O)c1cc(N)c(C)cc1Cl ZINC000094638952 193387912 /nfs/dbraw/zinc/38/79/12/193387912.db2.gz AKOSCCSAKFVKIL-UHFFFAOYSA-N 1 0 305.831 1.461 10 0 DDAERO CC(C)(C)[NH2+]Cc1cn([C@@H]2CCC[C@@H](S(C)(=O)=O)C2)nn1 ZINC000094645177 193389407 /nfs/dbraw/zinc/38/94/07/193389407.db2.gz WIUIUHPNSZQJCN-CHWSQXEVSA-N 1 0 314.455 1.695 10 0 DDAERO CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000094369813 193366526 /nfs/dbraw/zinc/36/65/26/193366526.db2.gz QPGMDAKDCIAMSL-QWHCGFSZSA-N 1 0 300.468 1.936 10 0 DDAERO CC(C)(O)CN1CC[NH+]([C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000094411090 193368745 /nfs/dbraw/zinc/36/87/45/193368745.db2.gz CLPGSVPSZPRNGG-GDBMZVCRSA-N 1 0 314.495 1.430 10 0 DDAERO CC1(C)CSC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000094486371 193373008 /nfs/dbraw/zinc/37/30/08/193373008.db2.gz JWYKJNWLAFDVQW-GFCCVEGCSA-N 1 0 314.476 1.955 10 0 DDAERO CC[NH+](CC)CCN[C@@]1(C(=O)OC)CSCC(C)(C)C1 ZINC000094490017 193373620 /nfs/dbraw/zinc/37/36/20/193373620.db2.gz MFYVPFFZHLHLAO-OAHLLOKOSA-N 1 0 302.484 1.993 10 0 DDAERO C[NH2+][C@H](Cc1cccc(Br)c1)[C@@H]1CN2CCN1CC2 ZINC000094509022 193375835 /nfs/dbraw/zinc/37/58/35/193375835.db2.gz YDBKWDKZAPHSMN-CABCVRRESA-N 1 0 324.266 1.579 10 0 DDAERO [NH3+]C[C@@H]1CC[C@H](C(=O)Nc2c3nsnc3ccc2Cl)O1 ZINC000094572775 193381925 /nfs/dbraw/zinc/38/19/25/193381925.db2.gz WUKGLWSHKFPJHY-IMTBSYHQSA-N 1 0 312.782 1.790 10 0 DDAERO CN(C1CC[NH2+]CC1)S(=O)(=O)c1nc2ccccc2s1 ZINC000095070682 193416031 /nfs/dbraw/zinc/41/60/31/193416031.db2.gz JJAOTKKEHRPEMQ-UHFFFAOYSA-N 1 0 311.432 1.669 10 0 DDAERO C[NH2+]Cc1ccc(COc2ccc(S(C)(=O)=O)cc2)nc1 ZINC000094761448 193395821 /nfs/dbraw/zinc/39/58/21/193395821.db2.gz KDHSIFHIGGBMPR-UHFFFAOYSA-N 1 0 306.387 1.784 10 0 DDAERO CN(CC(=O)NCC(F)(F)F)C(=O)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000094751520 193395860 /nfs/dbraw/zinc/39/58/60/193395860.db2.gz DNMGIQZQCMVJOX-UWVGGRQHSA-N 1 0 309.332 1.031 10 0 DDAERO Cc1cc(F)c(N)cc1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000094779646 193396914 /nfs/dbraw/zinc/39/69/14/193396914.db2.gz HNRYDBQHGXMQJO-UHFFFAOYSA-N 1 0 301.387 1.090 10 0 DDAERO [NH3+][C@H](Cc1ccc2ccccc2n1)C[C@@H]1CCS(=O)(=O)C1 ZINC000097274667 193702624 /nfs/dbraw/zinc/70/26/24/193702624.db2.gz FJEAVYBNVRCJRC-JSGCOSHPSA-N 1 0 304.415 1.929 10 0 DDAERO C[NH2+][C@H](C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCOC2(CCC2)C1 ZINC000097306946 193706318 /nfs/dbraw/zinc/70/63/18/193706318.db2.gz XUYJCWYSTDPDET-BFHYXJOUSA-N 1 0 301.452 1.749 10 0 DDAERO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)Nc2nc[nH]n2)C1 ZINC000020907463 182253465 /nfs/dbraw/zinc/25/34/65/182253465.db2.gz BSWZOCSFLOHWTN-ZDUSSCGKSA-N 1 0 314.393 1.724 10 0 DDAERO CC[NH2+]Cc1ccc(Br)cc1N(C)CC(=O)NC ZINC000037271297 182877048 /nfs/dbraw/zinc/87/70/48/182877048.db2.gz YUKALULIFBNMNT-UHFFFAOYSA-N 1 0 314.227 1.741 10 0 DDAERO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H](C)C(C)C)ncn1 ZINC000173329323 248335789 /nfs/dbraw/zinc/33/57/89/248335789.db2.gz AHHQSLIZZACTRO-QWHCGFSZSA-N 1 0 320.441 1.831 10 0 DDAERO O=C1c2ccccc2C(=O)N1CC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000306685164 248835816 /nfs/dbraw/zinc/83/58/16/248835816.db2.gz ISQHWASXIZBOEK-MELADBBJSA-N 1 0 314.385 1.375 10 0 DDAERO N=C1NC(=[NH2+])NC2(CCCC2)N1OCCCc1ccccc1 ZINC000039933173 183023057 /nfs/dbraw/zinc/02/30/57/183023057.db2.gz MVAYDRZGNRNVCG-UHFFFAOYSA-N 1 0 301.394 1.766 10 0 DDAERO CO[C@@H]1C[NH2+][C@H](C(=O)N(C)Cc2nc3ccccc3s2)C1 ZINC000040634822 183112257 /nfs/dbraw/zinc/11/22/57/183112257.db2.gz JQKAJXLIOQPPDK-JQWIXIFHSA-N 1 0 305.403 1.632 10 0 DDAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)Cc2ccc(Br)o2)C1 ZINC000040636245 183112377 /nfs/dbraw/zinc/11/23/77/183112377.db2.gz UVLPMRVDBZHXBH-NXEZZACHSA-N 1 0 317.183 1.377 10 0 DDAERO CCOC(=O)c1nc2cc(C)ccn2c1CN1CCC[NH2+]CC1 ZINC000040686191 183117921 /nfs/dbraw/zinc/11/79/21/183117921.db2.gz AIOXIKFZBRIYLO-UHFFFAOYSA-N 1 0 316.405 1.615 10 0 DDAERO Cc1cc(OC(C)C)ccc1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000040861597 183143983 /nfs/dbraw/zinc/14/39/83/183143983.db2.gz GDLYLBMLCRNPKJ-UHFFFAOYSA-N 1 0 313.423 1.344 10 0 DDAERO COc1ccc(C)cc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040740983 183127279 /nfs/dbraw/zinc/12/72/79/183127279.db2.gz RGUIHFJHNLMJLX-FUNVUKJBSA-N 1 0 310.419 1.565 10 0 DDAERO C[C@H]1CN(S(=O)(=O)c2ccc(CC[NH3+])cc2)CC(C)(C)O1 ZINC000041681969 183217004 /nfs/dbraw/zinc/21/70/04/183217004.db2.gz VUCODVZMHWYRDH-LBPRGKRZSA-N 1 0 312.435 1.376 10 0 DDAERO [NH3+]Cc1cccc(Br)c1O[C@@H]1CCCCNC1=O ZINC000042411389 183265287 /nfs/dbraw/zinc/26/52/87/183265287.db2.gz MSGPJYDESWPVFP-LLVKDONJSA-N 1 0 313.195 1.955 10 0 DDAERO CCC[N@H+](CCOc1cccc(C(N)=S)c1)CC(=O)NC ZINC000042404986 183265332 /nfs/dbraw/zinc/26/53/32/183265332.db2.gz RNLMHZNCGSLDLU-UHFFFAOYSA-N 1 0 309.435 1.158 10 0 DDAERO CNC(=O)COc1c(Br)cccc1C[C@@H](C)[NH3+] ZINC000042412747 183266900 /nfs/dbraw/zinc/26/69/00/183266900.db2.gz ZXZXREUTVBJOLQ-MRVPVSSYSA-N 1 0 301.184 1.464 10 0 DDAERO CC[C@H]([NH3+])Cc1cccc(Br)c1O[C@@H](C)C(N)=O ZINC000042412900 183266909 /nfs/dbraw/zinc/26/69/09/183266909.db2.gz WMDOHVWYAWHLCY-WPRPVWTQSA-N 1 0 315.211 1.982 10 0 DDAERO COc1cccc([C@@H](Sc2nc(N)cc(=O)[nH]2)[C@H](C)[NH3+])c1 ZINC000043033088 183331081 /nfs/dbraw/zinc/33/10/81/183331081.db2.gz CCAVDFUAJCXYCO-SDBXPKJASA-N 1 0 306.391 1.541 10 0 DDAERO CC[C@H]([NH3+])[C@H](c1sccc1C)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043248188 183347213 /nfs/dbraw/zinc/34/72/13/183347213.db2.gz ASRFACMCUVENTN-FRRDWIJNSA-N 1 0 316.492 1.954 10 0 DDAERO COc1cc([C@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000043299801 183351219 /nfs/dbraw/zinc/35/12/19/183351219.db2.gz GETIMJMFVFKFHC-NOZJJQNGSA-N 1 0 315.391 1.147 10 0 DDAERO [NH3+]C[C@@H](c1cc(Br)cs1)N(CCO)C1CC1 ZINC000043287380 183351624 /nfs/dbraw/zinc/35/16/24/183351624.db2.gz ZKEADNAZPJJTCE-JTQLQIEISA-N 1 0 305.241 1.967 10 0 DDAERO CC[C@H]([NH3+])[C@H](N1CCN(c2nccs2)CC1)C(F)(F)F ZINC000043376703 183357436 /nfs/dbraw/zinc/35/74/36/183357436.db2.gz NJUMGELLSWUQLD-UWVGGRQHSA-N 1 0 308.373 1.933 10 0 DDAERO C[NH+](C)C(C)(C)CNS(=O)(=O)c1cc(Cl)ccc1N ZINC000043411146 183360041 /nfs/dbraw/zinc/36/00/41/183360041.db2.gz UKHPPGMCRYMPCY-UHFFFAOYSA-N 1 0 305.831 1.541 10 0 DDAERO Cc1ccccc1CNS(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000044594473 183426067 /nfs/dbraw/zinc/42/60/67/183426067.db2.gz JUDUMXLQILSGJU-UHFFFAOYSA-N 1 0 304.415 1.975 10 0 DDAERO O=S(=O)(NC1CC1)c1ccccc1NC[C@H]1CCCC[NH2+]1 ZINC000044493546 183414060 /nfs/dbraw/zinc/41/40/60/183414060.db2.gz JTHFLZPMVRHWLS-CYBMUJFWSA-N 1 0 309.435 1.681 10 0 DDAERO CC[NH2+][C@](C)(CCC[N@H+](CCN(C)C)CC(C)C)C(=O)[O-] ZINC000045420908 183505707 /nfs/dbraw/zinc/50/57/07/183505707.db2.gz DTNKNMDYIDMWED-MRXNPFEDSA-N 1 0 301.475 1.739 10 0 DDAERO CN1CCO[C@H](CNC(=O)NCC(C)(C)c2ccccc2F)C1 ZINC000104794386 194039631 /nfs/dbraw/zinc/03/96/31/194039631.db2.gz XDEKKLNAHBKSPR-CYBMUJFWSA-N 1 0 323.412 1.733 10 0 DDAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1)CC2 ZINC000105872654 194153205 /nfs/dbraw/zinc/15/32/05/194153205.db2.gz LYEMWUPNKVHWRW-GXTWGEPZSA-N 1 0 313.405 1.772 10 0 DDAERO COCCC[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000105894400 194161104 /nfs/dbraw/zinc/16/11/04/194161104.db2.gz IEJOCVPUFBLMRU-MRXNPFEDSA-N 1 0 308.422 1.080 10 0 DDAERO Cc1ccc(OC[C@@H](O)CN2CCO[C@H](C[NH+](C)C)C2)c(C)c1 ZINC000105904615 194166773 /nfs/dbraw/zinc/16/67/73/194166773.db2.gz YSXJLLUIUJSFCG-DLBZAZTESA-N 1 0 322.449 1.306 10 0 DDAERO C[C@H](C(=O)NCc1cccs1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105926729 194172724 /nfs/dbraw/zinc/17/27/24/194172724.db2.gz INCVTVZYEHKVLS-CHWSQXEVSA-N 1 0 311.451 1.015 10 0 DDAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)N1CCCc2ccccc21 ZINC000105932910 194173605 /nfs/dbraw/zinc/17/36/05/194173605.db2.gz FRIBTISCGBOFFW-ZBFHGGJFSA-N 1 0 317.433 1.275 10 0 DDAERO COC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000106453952 194216098 /nfs/dbraw/zinc/21/60/98/194216098.db2.gz UNBTUEQKUCWTIZ-INIZCTEOSA-N 1 0 318.417 1.571 10 0 DDAERO CS(=O)(=O)c1ccccc1NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050944743 183808300 /nfs/dbraw/zinc/80/83/00/183808300.db2.gz UDSBTDJRXZBPFP-LBPRGKRZSA-N 1 0 310.419 1.951 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000109466558 194267025 /nfs/dbraw/zinc/26/70/25/194267025.db2.gz RFLNCHCUDKPMBF-CYBMUJFWSA-N 1 0 312.483 1.711 10 0 DDAERO COc1cccc(CN2CC[NH+](C(C)(C)C(N)=S)CC2)c1 ZINC000109470909 194267600 /nfs/dbraw/zinc/26/76/00/194267600.db2.gz OWGHEEHHCZFJKR-UHFFFAOYSA-N 1 0 307.463 1.878 10 0 DDAERO CC[C@@](C)(C[NH2+]C(C)(C)C)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000051248982 183820732 /nfs/dbraw/zinc/82/07/32/183820732.db2.gz OWKZJMGWIKDBQC-HIFRSBDPSA-N 1 0 304.500 1.910 10 0 DDAERO [NH3+]CCc1ccc(S(=O)(=O)N2CCC[C@@H]2CCCO)cc1 ZINC000052763931 183871488 /nfs/dbraw/zinc/87/14/88/183871488.db2.gz CKHDBJXTXZUGRT-CQSZACIVSA-N 1 0 312.435 1.113 10 0 DDAERO C[C@]1(n2c(N)[nH+]c3ccc(F)c(F)c32)CCS(=O)(=O)C1 ZINC000053170288 183891288 /nfs/dbraw/zinc/89/12/88/183891288.db2.gz ZFORVRLIENHROH-LBPRGKRZSA-N 1 0 301.318 1.430 10 0 DDAERO CC(C)[NH2+]Cc1c(N2CCNC(=O)[C@@H]2C)nc2sccn12 ZINC000110661723 194347444 /nfs/dbraw/zinc/34/74/44/194347444.db2.gz KVBIAKZFHKQCSM-JTQLQIEISA-N 1 0 307.423 1.219 10 0 DDAERO CC[C@H]1C[NH2+]CCN1c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000110678178 194349184 /nfs/dbraw/zinc/34/91/84/194349184.db2.gz ZSDHWAYIFCYBEQ-JTQLQIEISA-N 1 0 304.362 1.871 10 0 DDAERO CC[C@@H]1C(=O)NCCN1c1ccc(C(F)(F)F)cc1C[NH3+] ZINC000110676283 194349207 /nfs/dbraw/zinc/34/92/07/194349207.db2.gz OXDQWWQWMRAEBT-LLVKDONJSA-N 1 0 301.312 1.879 10 0 DDAERO C[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCN(C)[C@@H](C)C2)c1 ZINC000110763457 194357028 /nfs/dbraw/zinc/35/70/28/194357028.db2.gz SGWFCLQTGRJDOA-QWHCGFSZSA-N 1 0 311.451 1.292 10 0 DDAERO CN(CC[NH+](C)C)C(=O)c1ccc(NN)c(C(F)(F)F)c1 ZINC000111152247 194396710 /nfs/dbraw/zinc/39/67/10/194396710.db2.gz WVIVSWZGKOVOOL-UHFFFAOYSA-N 1 0 304.316 1.625 10 0 DDAERO CC[NH2+][C@@H](c1cc2c(cc1Cl)NC(=O)C2)[C@@H]1COCCO1 ZINC000055300293 183977801 /nfs/dbraw/zinc/97/78/01/183977801.db2.gz ZBOLDXIIPUCORI-ZFWWWQNUSA-N 1 0 310.781 1.901 10 0 DDAERO C[C@H](CNC1=NS(=O)(=O)c2ccccc21)C[NH+]1CCCC1 ZINC000058123989 184077560 /nfs/dbraw/zinc/07/75/60/184077560.db2.gz DMMCLKBRKKVTKP-GFCCVEGCSA-N 1 0 307.419 1.457 10 0 DDAERO CC[NH2+][C@@H](Cc1ncc(C)c(OC)c1C)CS(C)(=O)=O ZINC000060706009 184154419 /nfs/dbraw/zinc/15/44/19/184154419.db2.gz YAGGSMNLMONKAY-LBPRGKRZSA-N 1 0 300.424 1.272 10 0 DDAERO CS(=O)(=O)C[C@@H]([NH3+])Cc1cc(F)ccc1Br ZINC000060705322 184154496 /nfs/dbraw/zinc/15/44/96/184154496.db2.gz UPXJJQVQERAUAA-VIFPVBQESA-N 1 0 310.188 1.503 10 0 DDAERO CCCCN(C(=O)C[C@@H](C)[NH2+]CC)[C@H]1CCS(=O)(=O)C1 ZINC000061271924 184167030 /nfs/dbraw/zinc/16/70/30/184167030.db2.gz UHYHZZZELRSIBS-OLZOCXBDSA-N 1 0 304.456 1.190 10 0 DDAERO CC[NH2+]C[C@H](C)C(=O)N1CCN(C(=O)c2ccsc2)CC1 ZINC000061265842 184167299 /nfs/dbraw/zinc/16/72/99/184167299.db2.gz PSXRRAVFINCDLL-LBPRGKRZSA-N 1 0 309.435 1.278 10 0 DDAERO CC[NH2+]CCC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000061292557 184167974 /nfs/dbraw/zinc/16/79/74/184167974.db2.gz OXZPOKGDFVSMDP-UHFFFAOYSA-N 1 0 319.814 1.650 10 0 DDAERO Clc1nc(N[C@H]2C[NH+]3CCC2CC3)nc(-n2cccn2)n1 ZINC000061536703 184172259 /nfs/dbraw/zinc/17/22/59/184172259.db2.gz JGCKCXSCVGTGSL-JTQLQIEISA-N 1 0 305.773 1.217 10 0 DDAERO CN(c1nc(Cl)nc(N2CCCC2)n1)[C@@H]1CCC[N@H+](C)C1 ZINC000061542616 184174291 /nfs/dbraw/zinc/17/42/91/184174291.db2.gz IJHTVTMMVOOFHS-LLVKDONJSA-N 1 0 310.833 1.656 10 0 DDAERO CCn1c(S[C@H](c2ccc(OC)cc2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594203 184176269 /nfs/dbraw/zinc/17/62/69/184176269.db2.gz YCDIZZKFDDRWKI-CABZTGNLSA-N 1 0 308.407 1.781 10 0 DDAERO NNc1ccc(Cl)c(CSc2ncnc3[nH]cnc32)[nH+]1 ZINC000061639986 184180077 /nfs/dbraw/zinc/18/00/77/184180077.db2.gz XKILQARPQDHOMS-UHFFFAOYSA-N 1 0 307.770 1.979 10 0 DDAERO CN(C)CC[NH2+][C@](C)(CO)c1ccc(F)c(Br)c1 ZINC000061689763 184182720 /nfs/dbraw/zinc/18/27/20/184182720.db2.gz WQRJOORHAKCDAR-CYBMUJFWSA-N 1 0 319.218 1.947 10 0 DDAERO [NH3+]Cc1ccccc1CNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000061841350 184189265 /nfs/dbraw/zinc/18/92/65/184189265.db2.gz UDJUVTOLZUGNPZ-UHFFFAOYSA-N 1 0 312.341 1.902 10 0 DDAERO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCOCC2)cc1 ZINC000061936043 184196700 /nfs/dbraw/zinc/19/67/00/184196700.db2.gz PKWTXTMLOWQMLM-ZDUSSCGKSA-N 1 0 312.435 1.768 10 0 DDAERO C[C@@H](c1ccccc1F)N(C)S(=O)(=O)N(C)CCC[NH3+] ZINC000062015095 184201795 /nfs/dbraw/zinc/20/17/95/184201795.db2.gz KLMZXFJYZWTJHI-NSHDSACASA-N 1 0 303.403 1.344 10 0 DDAERO C[NH+](C)CCNC(=O)CCc1cc2ccc(F)cc2[nH]c1=O ZINC000062065807 184203915 /nfs/dbraw/zinc/20/39/15/184203915.db2.gz KRFZBYNLOCKNTA-UHFFFAOYSA-N 1 0 305.353 1.278 10 0 DDAERO C[C@@H](CNc1ccc(S(C)(=O)=O)cc1N)C[NH+]1CCCC1 ZINC000062069922 184204240 /nfs/dbraw/zinc/20/42/40/184204240.db2.gz AMMFWBXFJBYWJS-LBPRGKRZSA-N 1 0 311.451 1.816 10 0 DDAERO NC(=S)[C@@H](C(=O)NCCC[NH+]1CCCC1)c1ccccc1 ZINC000062079991 184204832 /nfs/dbraw/zinc/20/48/32/184204832.db2.gz XTQMMCWVMAZVRY-AWEZNQCLSA-N 1 0 305.447 1.658 10 0 DDAERO COc1cc(C[NH2+]CC(C)C)ccc1OCCS(C)(=O)=O ZINC000062731841 184251215 /nfs/dbraw/zinc/25/12/15/184251215.db2.gz WAVCCTWMZQAUGB-UHFFFAOYSA-N 1 0 315.435 1.864 10 0 DDAERO COCC[NH2+]Cc1c(C)nn(C)c1-n1nc(C)c(Cl)c1C ZINC000062738850 184252232 /nfs/dbraw/zinc/25/22/32/184252232.db2.gz IREVRXRIQODEEQ-UHFFFAOYSA-N 1 0 311.817 1.920 10 0 DDAERO NS(=O)(=O)c1ccccc1Nc1cccc(OCC[NH3+])c1 ZINC000062839357 184255447 /nfs/dbraw/zinc/25/54/47/184255447.db2.gz RWNCFQQVFQCUGH-UHFFFAOYSA-N 1 0 307.375 1.415 10 0 DDAERO CC[C@@]1(C(=O)Nc2ccccc2S(=O)(=O)CC)CC[NH2+]C1 ZINC000062891583 184258548 /nfs/dbraw/zinc/25/85/48/184258548.db2.gz AJRFTZSHAXRXFT-OAHLLOKOSA-N 1 0 310.419 1.808 10 0 DDAERO C[C@]1(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC[NH2+]C1 ZINC000062892158 184258553 /nfs/dbraw/zinc/25/85/53/184258553.db2.gz SJNVAMQIIFPMDO-ZDUSSCGKSA-N 1 0 318.345 1.621 10 0 DDAERO CCn1cc(S(=O)(=O)N[C@@H]2CCCCC[C@@H]2[NH3+])nc1C ZINC000063213207 184278301 /nfs/dbraw/zinc/27/83/01/184278301.db2.gz ODWZEAXDYFEFCG-NWDGAFQWSA-N 1 0 300.428 1.150 10 0 DDAERO Cc1cc([C@@H](C[NH3+])N2CC[C@H](N3CCOCC3)C2)c(C)s1 ZINC000062978726 184264002 /nfs/dbraw/zinc/26/40/02/184264002.db2.gz LJNHEZPTFLKVBR-GOEBONIOSA-N 1 0 309.479 1.771 10 0 DDAERO NNc1ccc(Cl)c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)n1 ZINC000062985132 184265147 /nfs/dbraw/zinc/26/51/47/184265147.db2.gz ZZBVSGJHZJWWJP-JTQLQIEISA-N 1 0 309.801 1.331 10 0 DDAERO [NH3+]CC1(NS(=O)(=O)C[C@@H]2CCCO2)CCCCCCC1 ZINC000063154824 184274054 /nfs/dbraw/zinc/27/40/54/184274054.db2.gz IGROGXAZPZQDJU-ZDUSSCGKSA-N 1 0 304.456 1.527 10 0 DDAERO CCOc1ccc(CN2CCN(CCC[NH3+])CC2)cc1OC ZINC000066143237 184392678 /nfs/dbraw/zinc/39/26/78/184392678.db2.gz GQWITZWUAGWVRT-UHFFFAOYSA-N 1 0 307.438 1.560 10 0 DDAERO CC(C)Oc1ccccc1C(=O)N1CCN(CCC[NH3+])CC1 ZINC000066142997 184393019 /nfs/dbraw/zinc/39/30/19/184393019.db2.gz UCEWNKJEAMGBNX-UHFFFAOYSA-N 1 0 305.422 1.580 10 0 DDAERO CC[NH+](CC)CC(=O)Nc1cccc(CCC(=O)N(C)C)c1 ZINC000066212154 184397321 /nfs/dbraw/zinc/39/73/21/184397321.db2.gz OVUJCGMDRJPZDM-UHFFFAOYSA-N 1 0 305.422 1.988 10 0 DDAERO CC(C)[NH2+]CC1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1 ZINC000113669574 194609600 /nfs/dbraw/zinc/60/96/00/194609600.db2.gz IZDAOQXTUPYOLW-CQSZACIVSA-N 1 0 317.499 1.673 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(C)nc1 ZINC000120297798 195137333 /nfs/dbraw/zinc/13/73/33/195137333.db2.gz IGNWTDUZJJAYIU-AWEZNQCLSA-N 1 0 304.394 1.271 10 0 DDAERO Cc1nn(C)cc1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000157691585 197207868 /nfs/dbraw/zinc/20/78/68/197207868.db2.gz IQPFTINKXIPUQL-NSHDSACASA-N 1 0 307.419 1.983 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC000245436940 285237245 /nfs/dbraw/zinc/23/72/45/285237245.db2.gz WACUUUVGPLIYRY-RBSFLKMASA-N 1 0 310.438 1.909 10 0 DDAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000120433790 195165537 /nfs/dbraw/zinc/16/55/37/195165537.db2.gz BLXHBLSNPRLGJG-HEHGZKQESA-N 1 0 324.446 1.767 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)NC(=O)c1ccco1 ZINC000245439062 285272492 /nfs/dbraw/zinc/27/24/92/285272492.db2.gz ZBFKYRBKRYPDOD-STQMWFEESA-N 1 0 307.394 1.341 10 0 DDAERO COc1ncccc1C[N@@H+]1CC[C@@H]2OCC[C@]2(C(=O)N(C)C)C1 ZINC000248046098 257109510 /nfs/dbraw/zinc/10/95/10/257109510.db2.gz WLCCJFFQSDACPA-YOEHRIQHSA-N 1 0 319.405 1.159 10 0 DDAERO CN(C)C(=O)CO[C@H]1CCOC2(C[NH+](CC3CCCCC3)C2)C1 ZINC000247948187 257114383 /nfs/dbraw/zinc/11/43/83/257114383.db2.gz BLLKCMHGMMDVAY-INIZCTEOSA-N 1 0 324.465 1.905 10 0 DDAERO O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2ccccn2)N1Cc1cccnc1 ZINC000253614864 257104728 /nfs/dbraw/zinc/10/47/28/257104728.db2.gz MFUIEBBEYXEERS-DLBZAZTESA-N 1 0 308.385 1.852 10 0 DDAERO Cc1cccc(C[N@@H+]2C[C@H]3CN(CC[NH+](C)C)CC[C@@H]3C2)n1 ZINC000503719885 257208442 /nfs/dbraw/zinc/20/84/42/257208442.db2.gz OEEVFVJFMQCYBN-IAGOWNOFSA-N 1 0 302.466 1.705 10 0 DDAERO Fc1cnccc1CN1C[C@@H]2OCCN(C[C@@H]3CCCO3)[C@H]2C1 ZINC000503718343 257208728 /nfs/dbraw/zinc/20/87/28/257208728.db2.gz RMVIVNIPCCWWGM-XIRDDKMYSA-N 1 0 321.396 1.285 10 0 DDAERO COCC[N@@H+]1CCO[C@@H]2CN(c3cccc(F)c3)CC[C@H]2C1 ZINC000503716694 257209917 /nfs/dbraw/zinc/20/99/17/257209917.db2.gz NMPVEYKURBRXRO-WMLDXEAASA-N 1 0 308.397 1.999 10 0 DDAERO Cn1ncc(N2CC[C@@H](C[NH2+]C3Cc4ccccc4C3)C2)cc1=O ZINC000023192629 257211901 /nfs/dbraw/zinc/21/19/01/257211901.db2.gz ASXMACMHJDMOPR-AWEZNQCLSA-N 1 0 324.428 1.364 10 0 DDAERO CSCCC(=O)N(Cc1cncnc1)[C@@H]1CCC[NH2+]CC1 ZINC000328653154 533528362 /nfs/dbraw/zinc/52/83/62/533528362.db2.gz WTUQSCGDABPPGJ-CQSZACIVSA-N 1 0 308.451 1.700 10 0 DDAERO Clc1nc2ccccn2c1C[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000071880874 406861252 /nfs/dbraw/zinc/86/12/52/406861252.db2.gz BCXHZBBIRLEQMQ-CYBMUJFWSA-N 1 0 320.824 1.941 10 0 DDAERO C[C@H]1C[C@@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000075981792 406949023 /nfs/dbraw/zinc/94/90/23/406949023.db2.gz XPWJIQYPQACHRX-JSGCOSHPSA-N 1 0 303.410 1.041 10 0 DDAERO COCCOCCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000045185664 407040806 /nfs/dbraw/zinc/04/08/06/407040806.db2.gz ZBMOWRJGIGOJHH-OAHLLOKOSA-N 1 0 309.410 1.252 10 0 DDAERO O=C(NCc1ccc(F)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000049172429 407116396 /nfs/dbraw/zinc/11/63/96/407116396.db2.gz QOSNFQUUAMALTK-OAHLLOKOSA-N 1 0 309.385 1.472 10 0 DDAERO CC(C)[NH+]1CCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)CC1 ZINC000046043523 407052608 /nfs/dbraw/zinc/05/26/08/407052608.db2.gz OMIBUJNJTOJNAT-AWEZNQCLSA-N 1 0 318.421 1.749 10 0 DDAERO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000101564276 407311477 /nfs/dbraw/zinc/31/14/77/407311477.db2.gz RPARHCGUZWFGEK-HNNXBMFYSA-N 1 0 303.406 1.666 10 0 DDAERO O=C([C@H]1CCCN1c1nccs1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105370708 407353268 /nfs/dbraw/zinc/35/32/68/407353268.db2.gz HRYSJORTLIXLGS-ZIAGYGMSSA-N 1 0 320.462 1.809 10 0 DDAERO O=C(CN1CCC[C@@H](Cn2cncn2)C1)Nc1ccccc1F ZINC000105883187 407356364 /nfs/dbraw/zinc/35/63/64/407356364.db2.gz ZUEDXRYXLVQNDA-CYBMUJFWSA-N 1 0 317.368 1.768 10 0 DDAERO C[C@@H](CNC(=O)N1CC[C@H](c2ccccc2)C1)N1CCOCC1 ZINC000124716390 407367294 /nfs/dbraw/zinc/36/72/94/407367294.db2.gz MQSCPOOGONHEJC-RDJZCZTQSA-N 1 0 317.433 1.906 10 0 DDAERO Cc1cccc(OC[C@H](O)CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000125295310 407383917 /nfs/dbraw/zinc/38/39/17/407383917.db2.gz AQYVFVYCZXWARN-IAGOWNOFSA-N 1 0 304.434 1.905 10 0 DDAERO CCCOc1ccc(NC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000125307775 407385056 /nfs/dbraw/zinc/38/50/56/407385056.db2.gz JMCQGJVIXCYWBC-HNNXBMFYSA-N 1 0 307.394 1.928 10 0 DDAERO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CNC(=O)C1)c1ccccc1 ZINC000109275903 407396999 /nfs/dbraw/zinc/39/69/99/407396999.db2.gz QUZZMNYKLXNGJO-GXTWGEPZSA-N 1 0 303.406 1.368 10 0 DDAERO CN1CCO[C@H](C[NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000111229662 407401487 /nfs/dbraw/zinc/40/14/87/407401487.db2.gz KPBDBQGKWNESRI-TZMCWYRMSA-N 1 0 323.824 1.366 10 0 DDAERO O[C@@H](CN[C@H](c1ncc[nH]1)c1ccccc1)C[NH+]1CCCCC1 ZINC000126140372 407406308 /nfs/dbraw/zinc/40/63/08/407406308.db2.gz IQUAHVYLTHAXMN-IRXDYDNUSA-N 1 0 314.433 1.936 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc2c(c1)OCCO2 ZINC000113223577 407479053 /nfs/dbraw/zinc/47/90/53/407479053.db2.gz GEAWCEWEVDSHSY-DZGCQCFKSA-N 1 0 316.401 1.695 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)CC1CCCCC1 ZINC000113222594 407479200 /nfs/dbraw/zinc/47/92/00/407479200.db2.gz SFTXVSNJNMNGTO-GDBMZVCRSA-N 1 0 321.465 1.768 10 0 DDAERO CC(=O)c1ccccc1NC(=O)CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000113267650 407485746 /nfs/dbraw/zinc/48/57/46/407485746.db2.gz JLUVJSXHHIPBBO-UKRRQHHQSA-N 1 0 315.417 1.996 10 0 DDAERO COc1ccc(NC(=O)CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000113271847 407488269 /nfs/dbraw/zinc/48/82/69/407488269.db2.gz JUSMKXTXBYIUIA-UKRRQHHQSA-N 1 0 303.406 1.802 10 0 DDAERO [NH3+]C[C@@H]1CN(C(=O)COC2CCOCC2)C[C@H]1c1ccccc1 ZINC000261681270 407577250 /nfs/dbraw/zinc/57/72/50/407577250.db2.gz IJYSTSZJYQOGLI-WBVHZDCISA-N 1 0 318.417 1.383 10 0 DDAERO [NH3+][C@H](C(=O)N[C@@H]1CCO[C@H]1c1ccccc1)C1CCOCC1 ZINC000261682837 407578197 /nfs/dbraw/zinc/57/81/97/407578197.db2.gz HCMQRKYSNPJUIU-PMPSAXMXSA-N 1 0 304.390 1.387 10 0 DDAERO Cc1ccc(CCNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cn1 ZINC000113620987 407517515 /nfs/dbraw/zinc/51/75/15/407517515.db2.gz TWLYEORZRNASOG-GOEBONIOSA-N 1 0 302.422 1.811 10 0 DDAERO C[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)N(C)c1ccccc1 ZINC000170829635 407520540 /nfs/dbraw/zinc/52/05/40/407520540.db2.gz XKTZNNMNRIKCQJ-GDBMZVCRSA-N 1 0 304.438 1.857 10 0 DDAERO CN(CCCNC(=O)N1CC[C@H]([NH+](C)C)C1)CC(F)(F)F ZINC000170830794 407521209 /nfs/dbraw/zinc/52/12/09/407521209.db2.gz RZOSPZBWESSPNO-NSHDSACASA-N 1 0 310.364 1.216 10 0 DDAERO Cc1cccc2c1N(C(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1)CC2 ZINC000170844187 407526820 /nfs/dbraw/zinc/52/68/20/407526820.db2.gz IBEUURSWQFHPII-CQSZACIVSA-N 1 0 301.390 1.047 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CCCc3ccc(F)cc32)C1 ZINC000170844172 407527314 /nfs/dbraw/zinc/52/73/14/407527314.db2.gz JCGSUCIHIIOATH-CQSZACIVSA-N 1 0 319.380 1.267 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccc3scnc3c2)C1 ZINC000170843831 407528756 /nfs/dbraw/zinc/52/87/56/407528756.db2.gz JGEGWOXHQCVAEG-NSHDSACASA-N 1 0 318.402 1.397 10 0 DDAERO CCc1nnc([C@@H]2CN(Cc3ccc(OC)cc3)CCO2)[nH]1 ZINC000129228991 407598020 /nfs/dbraw/zinc/59/80/20/407598020.db2.gz ZOGDLLPWWBHYPL-AWEZNQCLSA-N 1 0 302.378 1.949 10 0 DDAERO [NH3+]C1(C(=O)N[C@H]2CCOc3c(Cl)cccc32)CCOCC1 ZINC000261898952 407659611 /nfs/dbraw/zinc/65/96/11/407659611.db2.gz RLGDVBOUVAMVFJ-LBPRGKRZSA-N 1 0 310.781 1.788 10 0 DDAERO CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](CC)C2)C1 ZINC000171164595 407614331 /nfs/dbraw/zinc/61/43/31/407614331.db2.gz YMPZOVWVAUVGFK-LSDHHAIUSA-N 1 0 324.469 1.561 10 0 DDAERO CC(C)C(=O)Nc1ccc(NC(=O)[C@H]([NH3+])C2CCOCC2)cc1 ZINC000261818213 407624999 /nfs/dbraw/zinc/62/49/99/407624999.db2.gz PEHRUVVIGGYULW-OAHLLOKOSA-N 1 0 319.405 1.974 10 0 DDAERO CCc1nc2n(n1)C[C@H](NC(=O)NCCC[NH+](CC)CC)CC2 ZINC000114910163 407635276 /nfs/dbraw/zinc/63/52/76/407635276.db2.gz GBEDRHHDPINJRB-CYBMUJFWSA-N 1 0 322.457 1.186 10 0 DDAERO C[C@H]1CN(C(=O)C2([NH3+])CCOCC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000261884612 407654103 /nfs/dbraw/zinc/65/41/03/407654103.db2.gz PRYYYUKNZIEQBJ-WFASDCNBSA-N 1 0 322.380 1.622 10 0 DDAERO Cc1noc([C@@H](C)N2CCN(Cc3cccc(N)c3)CC2)n1 ZINC000261723922 407592737 /nfs/dbraw/zinc/59/27/37/407592737.db2.gz RJBRREWLYWRURT-GFCCVEGCSA-N 1 0 301.394 1.839 10 0 DDAERO Cc1nc(CC(C)C)c(C(=O)NC[C@@H]2CN(C)CCO2)s1 ZINC000130270628 407670223 /nfs/dbraw/zinc/67/02/23/407670223.db2.gz LQUWXSDVXLJQSN-GFCCVEGCSA-N 1 0 311.451 1.710 10 0 DDAERO C[C@H]1CN(S(=O)(=O)Cc2ccccc2C(F)(F)F)C[C@@H]1[NH3+] ZINC000262067940 407729318 /nfs/dbraw/zinc/72/93/18/407729318.db2.gz OSVNFDKJAMJUTH-CABZTGNLSA-N 1 0 322.352 1.814 10 0 DDAERO COc1ccc(CCCNC(=O)[C@H]([NH3+])C2CCOCC2)cc1 ZINC000261932534 407679843 /nfs/dbraw/zinc/67/98/43/407679843.db2.gz ITJLXABGGCTQIT-MRXNPFEDSA-N 1 0 306.406 1.498 10 0 DDAERO CN(C)c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261942326 407681140 /nfs/dbraw/zinc/68/11/40/407681140.db2.gz NAIOCLOOZWDTEV-BBWFWOEESA-N 1 0 303.450 1.999 10 0 DDAERO Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261940386 407681292 /nfs/dbraw/zinc/68/12/92/407681292.db2.gz JHYWCSUUMAKSRR-HOCLYGCPSA-N 1 0 320.437 1.454 10 0 DDAERO COc1ccc(C(C)(C)CNC(=O)C2(C[NH3+])CCOCC2)cc1 ZINC000261953297 407688262 /nfs/dbraw/zinc/68/82/62/407688262.db2.gz OPEMAWNGCJUNFD-UHFFFAOYSA-N 1 0 320.433 1.845 10 0 DDAERO C[C@@H]1CN(S(=O)(=O)Cc2ccccc2C(F)(F)F)C[C@@H]1[NH3+] ZINC000262067942 407729656 /nfs/dbraw/zinc/72/96/56/407729656.db2.gz OSVNFDKJAMJUTH-SKDRFNHKSA-N 1 0 322.352 1.814 10 0 DDAERO C[C@H]1CN(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C[C@@H]1[NH3+] ZINC000261962747 407691747 /nfs/dbraw/zinc/69/17/47/407691747.db2.gz HMIDUEAXYSNIQF-XPTSAGLGSA-N 1 0 309.776 1.839 10 0 DDAERO Cc1cccc(C(C)(C)NC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000152909754 407712687 /nfs/dbraw/zinc/71/26/87/407712687.db2.gz WZYUKBXJKVZCOQ-HNNXBMFYSA-N 1 0 305.422 1.860 10 0 DDAERO C[C@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)C[C@@H]1[NH3+] ZINC000262022171 407714604 /nfs/dbraw/zinc/71/46/04/407714604.db2.gz ITTPYZWUCQCMPH-XNCJUZBTSA-N 1 0 312.288 1.211 10 0 DDAERO C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C[C@@H]1[NH3+] ZINC000262048385 407722535 /nfs/dbraw/zinc/72/25/35/407722535.db2.gz QALPLVOWPCUECD-MFKMUULPSA-N 1 0 300.362 1.584 10 0 DDAERO CCOCC[N@H+](CC)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000171634892 407725173 /nfs/dbraw/zinc/72/51/73/407725173.db2.gz PYIMTNYCMHUSGU-ZDUSSCGKSA-N 1 0 320.389 1.002 10 0 DDAERO CC(C)CC(=O)N[C@@H](C(=O)N(C)CC[N@H+](C)C1CC1)C(C)C ZINC000186716473 407752918 /nfs/dbraw/zinc/75/29/18/407752918.db2.gz VLMDAAYRJWDSOM-MRXNPFEDSA-N 1 0 311.470 1.726 10 0 DDAERO CCCCN(C)C(=O)C1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000236704620 407754368 /nfs/dbraw/zinc/75/43/68/407754368.db2.gz NSGUELHKAPWXPL-GJZGRUSLSA-N 1 0 309.454 1.611 10 0 DDAERO Cn1cc([C@@H]2CC[N@H+](C[C@H](O)COc3ccc(F)cc3)C2)cn1 ZINC000116312458 407745045 /nfs/dbraw/zinc/74/50/45/407745045.db2.gz ZIFVFAIVQOUPMR-CJNGLKHVSA-N 1 0 319.380 1.788 10 0 DDAERO COC[C@H]([NH3+])C(=O)NCc1cccc(COc2ccccc2)c1 ZINC000262190957 407762858 /nfs/dbraw/zinc/76/28/58/407762858.db2.gz CFTAAEZILFOUDV-KRWDZBQOSA-N 1 0 314.385 1.856 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1CC ZINC000116772384 407772196 /nfs/dbraw/zinc/77/21/96/407772196.db2.gz LUAZNHNICIWBML-CQSZACIVSA-N 1 0 307.394 1.360 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000262241299 407772591 /nfs/dbraw/zinc/77/25/91/407772591.db2.gz HTAWWKKIWFKYLU-BXUZGUMPSA-N 1 0 302.378 1.509 10 0 DDAERO COC[C@@H]([NH3+])C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000262264367 407780102 /nfs/dbraw/zinc/78/01/02/407780102.db2.gz JSMPZAUMXUBACT-JOYOIKCWSA-N 1 0 315.211 1.470 10 0 DDAERO Cc1cc2ccccc2n1CC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116792166 407780834 /nfs/dbraw/zinc/78/08/34/407780834.db2.gz UNJQNZGPWLIQOS-INIZCTEOSA-N 1 0 315.417 1.739 10 0 DDAERO Cc1ccc(C(=O)CCC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000116798016 407781090 /nfs/dbraw/zinc/78/10/90/407781090.db2.gz GBKNOORXUFDQEB-MRXNPFEDSA-N 1 0 318.417 1.747 10 0 DDAERO COC[C@@H]([NH3+])C(=O)NCc1ccc(OC)cc1C(F)(F)F ZINC000262262998 407778743 /nfs/dbraw/zinc/77/87/43/407778743.db2.gz JNKCFLFJPQXXNM-LLVKDONJSA-N 1 0 306.284 1.304 10 0 DDAERO COc1ccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c(OC)c1 ZINC000116798194 407779498 /nfs/dbraw/zinc/77/94/98/407779498.db2.gz JISBENVDZXJIRN-ZDUSSCGKSA-N 1 0 308.378 1.106 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)c2cccc(-n3cccn3)c2)CCO1 ZINC000116795037 407779656 /nfs/dbraw/zinc/77/96/56/407779656.db2.gz PHLHNVQSRIZPDQ-INIZCTEOSA-N 1 0 314.389 1.275 10 0 DDAERO CC[C@@H](Cc1ccccc1)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117044876 407809819 /nfs/dbraw/zinc/80/98/19/407809819.db2.gz GZGQGDOVBJAIIL-DLBZAZTESA-N 1 0 319.449 1.980 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 ZINC000262379933 407817179 /nfs/dbraw/zinc/81/71/79/407817179.db2.gz XRGLMRIRBRUETF-WCQYABFASA-N 1 0 311.357 1.329 10 0 DDAERO CCc1c(Cl)nc(C)nc1N1CCC([N@H+](C)CCO)CC1 ZINC000272234486 407827388 /nfs/dbraw/zinc/82/73/88/407827388.db2.gz PXPRNKVWMSQSOT-UHFFFAOYSA-N 1 0 312.845 1.894 10 0 DDAERO Cc1ccc(CNC(=O)CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1F ZINC000262510584 407853665 /nfs/dbraw/zinc/85/36/65/407853665.db2.gz MYKMDCGNDLIOTC-LZWOXQAQSA-N 1 0 305.397 1.419 10 0 DDAERO CC(=O)c1cccc(NC(=O)CN(C)[C@H]2CCC[NH2+]CC2)c1 ZINC000262526149 407856977 /nfs/dbraw/zinc/85/69/77/407856977.db2.gz OWBHYKHPYBEGFB-INIZCTEOSA-N 1 0 303.406 1.902 10 0 DDAERO [NH3+][C@H]1CCC[C@H](C(=O)N2CCN(Cc3cccnc3)CC2)C1 ZINC000238035927 407875029 /nfs/dbraw/zinc/87/50/29/407875029.db2.gz LIRAYHFDYHIDFN-HOTGVXAUSA-N 1 0 302.422 1.243 10 0 DDAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CCCNC(=O)NC1CCCCC1 ZINC000262581146 407875223 /nfs/dbraw/zinc/87/52/23/407875223.db2.gz LZCSHTCVGCRBRD-DZGCQCFKSA-N 1 0 324.469 1.642 10 0 DDAERO Cc1cnn(CCNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000118053168 407881628 /nfs/dbraw/zinc/88/16/28/407881628.db2.gz WTPIIMQUAYJFDW-MRXNPFEDSA-N 1 0 315.421 1.794 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN([C@@H](C)C(=O)NCc2ccccc2)CC1 ZINC000118857331 407954448 /nfs/dbraw/zinc/95/44/48/407954448.db2.gz HEPRPHQXPJPOFJ-DOTOQJQBSA-N 1 0 319.449 1.080 10 0 DDAERO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2c(C)cc(C)cc2OC)C1 ZINC000262763374 407920807 /nfs/dbraw/zinc/92/08/07/407920807.db2.gz KEGKCSFZYPHPNQ-ZDUSSCGKSA-N 1 0 312.435 1.542 10 0 DDAERO COCCc1ccc(S(=O)(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000262769161 407922215 /nfs/dbraw/zinc/92/22/15/407922215.db2.gz LXDSWHSFWZNOMV-WFASDCNBSA-N 1 0 312.435 1.294 10 0 DDAERO C[C@@H](NC(N)=O)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000262773587 407924327 /nfs/dbraw/zinc/92/43/27/407924327.db2.gz KLHXXFYFTKQMOS-YGRLFVJLSA-N 1 0 300.362 1.013 10 0 DDAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000263105429 408026363 /nfs/dbraw/zinc/02/63/63/408026363.db2.gz ZTKSVYHLDGYYHW-LZWOXQAQSA-N 1 0 306.410 1.018 10 0 DDAERO CSC[C@@H](C)NC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000181793684 408041549 /nfs/dbraw/zinc/04/15/49/408041549.db2.gz SJIWKQKJONNHEL-CHWSQXEVSA-N 1 0 317.499 1.472 10 0 DDAERO COc1cc(F)c(-c2nc([C@@H]3C[NH2+]CCN3C)no2)cc1OC ZINC000263162422 408042921 /nfs/dbraw/zinc/04/29/21/408042921.db2.gz DYAUDNIXHXILAX-NSHDSACASA-N 1 0 322.340 1.469 10 0 DDAERO CN1CC[NH2+]C[C@H]1c1noc([C@@H]2CCOc3ccccc32)n1 ZINC000263169170 408045690 /nfs/dbraw/zinc/04/56/90/408045690.db2.gz FNHXVWTTXJOKIZ-OLZOCXBDSA-N 1 0 300.362 1.560 10 0 DDAERO CC[C@H]1CN(Cc2cnn(C(C)(C)C)c2)CC[N@@H+]1C[C@H](C)O ZINC000245707419 408050868 /nfs/dbraw/zinc/05/08/68/408050868.db2.gz FIEGCXWCFXPDHC-HOCLYGCPSA-N 1 0 308.470 1.915 10 0 DDAERO Cc1nc(SCCC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n[nH]1 ZINC000245466601 407993933 /nfs/dbraw/zinc/99/39/33/407993933.db2.gz RIHLCCPQQUYDCR-PWSUYJOCSA-N 1 0 309.439 1.290 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1c(C)nn(C)c1C ZINC000245485202 407997416 /nfs/dbraw/zinc/99/74/16/407997416.db2.gz IYKUJIUAQJGSLY-CABCVRRESA-N 1 0 319.453 1.805 10 0 DDAERO CNS(=O)(=O)c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000245538294 408009841 /nfs/dbraw/zinc/00/98/41/408009841.db2.gz JTILNKUWHICKRI-NSHDSACASA-N 1 0 313.398 1.018 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(N3CCCC3)nc2)C[C@@H]1C ZINC000245731837 408056539 /nfs/dbraw/zinc/05/65/39/408056539.db2.gz JXFDRBGADLCAEF-HOTGVXAUSA-N 1 0 318.465 1.569 10 0 DDAERO COc1cccc(OCc2nc([C@H]3C[NH2+]CCN3C)no2)c1 ZINC000263255359 408078327 /nfs/dbraw/zinc/07/83/27/408078327.db2.gz QLPKUPXRIITKBM-CYBMUJFWSA-N 1 0 304.350 1.233 10 0 DDAERO COc1cccc(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)n1 ZINC000119487861 408080893 /nfs/dbraw/zinc/08/08/93/408080893.db2.gz RKRVZVMNTPFLMR-JSGCOSHPSA-N 1 0 306.410 1.618 10 0 DDAERO COC[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(F)c(F)c1 ZINC000246040213 408125564 /nfs/dbraw/zinc/12/55/64/408125564.db2.gz NTEXDNGEGUBCTA-IUODEOHRSA-N 1 0 300.349 1.573 10 0 DDAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cc(-c3ccccc3)no2)n1 ZINC000263297856 408095001 /nfs/dbraw/zinc/09/50/01/408095001.db2.gz WQJFUHAIXNEHFY-CYBMUJFWSA-N 1 0 311.345 1.968 10 0 DDAERO COc1ccc(Cc2nc([C@H]3C[NH2+]CCN3C)no2)cc1F ZINC000263297810 408096502 /nfs/dbraw/zinc/09/65/02/408096502.db2.gz WPBCXFSTRKJEQS-GFCCVEGCSA-N 1 0 306.341 1.384 10 0 DDAERO COc1cccc(CCc2nc([C@H]3C[NH2+]CCN3C)no2)c1 ZINC000263308717 408101772 /nfs/dbraw/zinc/10/17/72/408101772.db2.gz YFUXLQVKDAQXGD-CQSZACIVSA-N 1 0 302.378 1.440 10 0 DDAERO CCCn1nccc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000154921469 408101802 /nfs/dbraw/zinc/10/18/02/408101802.db2.gz VULQPNFZMSRQGC-QWHCGFSZSA-N 1 0 321.425 1.077 10 0 DDAERO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000175327238 408105755 /nfs/dbraw/zinc/10/57/55/408105755.db2.gz HYYMKKAZRIUXJF-SJORKVTESA-N 1 0 323.481 1.476 10 0 DDAERO Cn1cncc1CCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000189856817 408123367 /nfs/dbraw/zinc/12/33/67/408123367.db2.gz CBRPZWBMOLJEDX-INIZCTEOSA-N 1 0 300.406 1.772 10 0 DDAERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)[C@@H]3CCOC3)C2=O)n(C)n1 ZINC000182348906 408131875 /nfs/dbraw/zinc/13/18/75/408131875.db2.gz JIXHRIBFPLFESW-MCIONIFRSA-N 1 0 306.410 1.239 10 0 DDAERO COCCOc1cccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000120977485 408148839 /nfs/dbraw/zinc/14/88/39/408148839.db2.gz NLGNCUNBKGENJO-QGZVFWFLSA-N 1 0 320.433 1.618 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCc1nc(C2CC2)no1 ZINC000246158680 408156177 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ZZYGNRSOYQCQJG-HNNXBMFYSA-N 1 0 321.469 1.705 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc2nnn(C)c2c1 ZINC000184452524 408619994 /nfs/dbraw/zinc/61/99/94/408619994.db2.gz WRRPCXHWGZUUBK-ZDUSSCGKSA-N 1 0 301.394 1.525 10 0 DDAERO COCC(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000177463953 408627650 /nfs/dbraw/zinc/62/76/50/408627650.db2.gz LCZWHIMLDTZTFI-QGZVFWFLSA-N 1 0 320.433 1.537 10 0 DDAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2cccc(N3CCCNC3=O)c2)C1 ZINC000161678506 408628178 /nfs/dbraw/zinc/62/81/78/408628178.db2.gz NOZQIMIBBGSFRH-RYUDHWBXSA-N 1 0 302.378 1.672 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1ccc(C)cc1=O ZINC000248852580 408646359 /nfs/dbraw/zinc/64/63/59/408646359.db2.gz WYZFYYRFHGJWCW-CABCVRRESA-N 1 0 303.406 1.242 10 0 DDAERO CCC[C@@H](C(=O)N[C@H]1CCN(c2ccccc2F)C1=O)[NH+](C)C ZINC000162121821 408671188 /nfs/dbraw/zinc/67/11/88/408671188.db2.gz WYIWOLTULMHNKR-ZFWWWQNUSA-N 1 0 321.396 1.778 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(-c2cnn(C)c2)no1 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C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2CNC(=O)C2)CCC1 ZINC000386532501 418739860 /nfs/dbraw/zinc/73/98/60/418739860.db2.gz ZXSNLUBQRYESER-HNNXBMFYSA-N 1 0 315.417 1.293 10 0 DDAERO CC(C)(C(=O)NCCOCc1ccccc1)N1CC[NH2+]CC1 ZINC000390029102 418752746 /nfs/dbraw/zinc/75/27/46/418752746.db2.gz XQJMXTVVOIAWCB-UHFFFAOYSA-N 1 0 305.422 1.003 10 0 DDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000390081044 418753137 /nfs/dbraw/zinc/75/31/37/418753137.db2.gz BHZLAPWDAFNNJW-IRXDYDNUSA-N 1 0 312.417 1.923 10 0 DDAERO Cn1cc([C@H](CNc2ncc(C(N)=O)cc2Cl)[NH+](C)C)cn1 ZINC000301274616 229600265 /nfs/dbraw/zinc/60/02/65/229600265.db2.gz IFOJYGNTCDXSSX-LBPRGKRZSA-N 1 0 322.800 1.282 10 0 DDAERO C[NH2+][C@H]1CCN(c2ccc(I)cn2)C1 ZINC000420174682 420141598 /nfs/dbraw/zinc/14/15/98/420141598.db2.gz XINVHHHUKMQHLF-VIFPVBQESA-N 1 0 303.147 1.484 10 0 DDAERO [NH3+]C[C@H]1CCCN1c1ccc(I)cn1 ZINC000420204179 420151099 /nfs/dbraw/zinc/15/10/99/420151099.db2.gz SBQVRBOSQUYACY-SECBINFHSA-N 1 0 303.147 1.614 10 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FGJDLLJBZDVENW-CQSZACIVSA-N 1 0 314.389 1.595 10 0 DDAERO CC(C)n1c(-c2ncccn2)nnc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000333366343 278121460 /nfs/dbraw/zinc/12/14/60/278121460.db2.gz LUGCRBWHTARXFR-CYBMUJFWSA-N 1 0 313.409 1.600 10 0 DDAERO CSc1ccc(N2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)nn1 ZINC000301736608 278173242 /nfs/dbraw/zinc/17/32/42/278173242.db2.gz VIEOOTSRZRFRDF-OLZOCXBDSA-N 1 0 308.451 1.624 10 0 DDAERO C[C@@H](COCc1ccccc1)NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000178753810 278291376 /nfs/dbraw/zinc/29/13/76/278291376.db2.gz IACXKNXTNGYDOZ-ZFWWWQNUSA-N 1 0 308.447 1.803 10 0 DDAERO Cc1cnn(CC[NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)c1 ZINC000120168418 279033718 /nfs/dbraw/zinc/03/37/18/279033718.db2.gz GKKGWUUYKIPBPM-AWEZNQCLSA-N 1 0 307.419 1.644 10 0 DDAERO C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246859216 279188687 /nfs/dbraw/zinc/18/86/87/279188687.db2.gz FLPRYDXQBMDBHD-HZPDHXFCSA-N 1 0 309.454 1.040 10 0 DDAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 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DDAERO CCOc1ccccc1NC(=O)[C@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000105933216 281051547 /nfs/dbraw/zinc/05/15/47/281051547.db2.gz NVFUNWBKPCWOGC-KBPBESRZSA-N 1 0 321.421 1.333 10 0 DDAERO CC[C@H]1CN(Cc2nnc(C3CCC3)n2C)CC[N@@H+]1CCOC ZINC000181279483 281172356 /nfs/dbraw/zinc/17/23/56/281172356.db2.gz ZGMDYCYFCKKQBE-HNNXBMFYSA-N 1 0 321.469 1.625 10 0 DDAERO C[N@H+](C[C@H](O)COC(C)(C)C)CC(C)(C)CN1CCOCC1 ZINC000124038724 281182659 /nfs/dbraw/zinc/18/26/59/281182659.db2.gz UPKQANQYPGVBOP-HNNXBMFYSA-N 1 0 316.486 1.453 10 0 DDAERO O=C1CCCN1C[C@H](O)C[NH2+]C1(c2nccs2)CCCC1 ZINC000126707901 281250114 /nfs/dbraw/zinc/25/01/14/281250114.db2.gz IXSNAGCZJZQLAY-GFCCVEGCSA-N 1 0 309.435 1.485 10 0 DDAERO COCCc1cc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)n(C)n1 ZINC000127596216 281280551 /nfs/dbraw/zinc/28/05/51/281280551.db2.gz XDOPWTGIZWTIIS-OCCSQVGLSA-N 1 0 323.441 1.459 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(C(=O)CCOCc2ccccc2)C[C@H]1C ZINC000246840597 282017925 /nfs/dbraw/zinc/01/79/25/282017925.db2.gz 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ZINC000054307718 483938147 /nfs/dbraw/zinc/93/81/47/483938147.db2.gz LAXSCAHNRJAFGD-CQSZACIVSA-N 1 0 307.463 1.782 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)C1(c2ccccc2F)CCCC1 ZINC000262063886 484261060 /nfs/dbraw/zinc/26/10/60/484261060.db2.gz BBUBFGPKOCTGRU-IUODEOHRSA-N 1 0 306.381 1.334 10 0 DDAERO COc1ccc(CNC[C@@H]2C[NH2+]C[C@H]2O)cc1OCC(C)C ZINC000262198045 484265159 /nfs/dbraw/zinc/26/51/59/484265159.db2.gz ZRIOYNBXVZXYQX-HUUCEWRRSA-N 1 0 308.422 1.400 10 0 DDAERO Cc1ccc(-c2nc(C(=O)NC[C@@H]3C[NH2+]C[C@H]3O)cs2)cc1 ZINC000262218888 484265711 /nfs/dbraw/zinc/26/57/11/484265711.db2.gz JJTHLEZKCDBFFS-GXTWGEPZSA-N 1 0 317.414 1.429 10 0 DDAERO C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262272105 484267438 /nfs/dbraw/zinc/26/74/38/484267438.db2.gz NCSBBMCGDBLTKC-ZENOOKHLSA-N 1 0 320.433 1.448 10 0 DDAERO COc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c2ccccc12 ZINC000262280259 484267456 /nfs/dbraw/zinc/26/74/56/484267456.db2.gz NVHCLXNSUFGILL-ABAIWWIYSA-N 1 0 300.358 1.159 10 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C[C@H]1CC[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)O1 ZINC000123791826 696735171 /nfs/dbraw/zinc/73/51/71/696735171.db2.gz CXBCPQLATYPPAW-BBRMVZONSA-N 1 0 303.406 1.944 10 0 DDAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccnc(Br)c1 ZINC000135368641 696847957 /nfs/dbraw/zinc/84/79/57/696847957.db2.gz RFTCJGHDCNGKAI-JTQLQIEISA-N 1 0 312.211 1.868 10 0 DDAERO O=C1C(=O)N(CN2CC[N@@H+]3CCC[C@@H]3C2)c2cccc(Cl)c21 ZINC000172503240 697368372 /nfs/dbraw/zinc/36/83/72/697368372.db2.gz BCJYJJJMHOODSE-LLVKDONJSA-N 1 0 319.792 1.607 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@](C)(O)c2cc(C)oc2C)C1 ZINC000174231984 697386168 /nfs/dbraw/zinc/38/61/68/697386168.db2.gz KFWKEHSAAFMRFF-YOEHRIQHSA-N 1 0 323.437 1.887 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)Cn1ncc2ccccc2c1=O ZINC000177161878 697410191 /nfs/dbraw/zinc/41/01/91/697410191.db2.gz NSRPJEOCSTTYMN-HNNXBMFYSA-N 1 0 300.406 1.770 10 0 DDAERO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Cl)nc1Cl ZINC000178964583 697431777 /nfs/dbraw/zinc/43/17/77/697431777.db2.gz 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Cn1cc(C[NH2+]C[C@@H]2CCCN(C)[C@H]2c2cncn2C)cn1 ZINC000886060564 708690675 /nfs/dbraw/zinc/69/06/75/708690675.db2.gz KYCRTZHPBBUSAM-GOEBONIOSA-N 1 0 302.426 1.326 10 0 DDAERO CCc1noc(C)c1C[N@@H+]1CCC[C@@](O)(Cc2nc(C)no2)C1 ZINC000886091706 708696472 /nfs/dbraw/zinc/69/64/72/708696472.db2.gz MNMDOFIJEJJQGL-MRXNPFEDSA-N 1 0 320.393 1.806 10 0 DDAERO COCc1cccc(C[NH2+][C@H]2COC[C@H]2Oc2cnn(C)c2)c1 ZINC000888078023 709210355 /nfs/dbraw/zinc/21/03/55/709210355.db2.gz BMOIGHCKNMWLSI-DLBZAZTESA-N 1 0 317.389 1.503 10 0 DDAERO Cc1ccc(CCC(=O)N2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)o1 ZINC000888094520 709211068 /nfs/dbraw/zinc/21/10/68/709211068.db2.gz YLDZDFXDBAZOKD-CABCVRRESA-N 1 0 317.393 1.126 10 0 DDAERO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H](OC)C[C@H]2c2nc[nH]n2)C1 ZINC000908093165 712684953 /nfs/dbraw/zinc/68/49/53/712684953.db2.gz PEGPGCKEBVQYQY-MJBXVCDLSA-N 1 0 321.425 1.215 10 0 DDAERO Nc1nc([C@H]2CC[N@H+](CCSc3ccncc3)C2)cc(=O)[nH]1 ZINC000931031753 713986536 /nfs/dbraw/zinc/98/65/36/713986536.db2.gz DQYWMBHFRVKDTR-NSHDSACASA-N 1 0 317.418 1.741 10 0 DDAERO CC[C@H]1CN(C(=O)[C@H](C)c2c(C)n[nH]c2C)CCN1CCOC ZINC000248460209 282085728 /nfs/dbraw/zinc/08/57/28/282085728.db2.gz SFSBKDPEPXHWKB-DOMZBBRYSA-N 1 0 322.453 1.699 10 0 DDAERO Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000081813711 192328651 /nfs/dbraw/zinc/32/86/51/192328651.db2.gz SOSKRHBTCIVUGN-HNNXBMFYSA-N 1 0 313.405 1.913 10 0 DDAERO Cc1cc2ncc([C@@H](C)[NH2+][C@H](C)CS(C)(=O)=O)c(C)n2n1 ZINC000081902685 192336667 /nfs/dbraw/zinc/33/66/67/192336667.db2.gz RVQJDVLWRJAHMF-GHMZBOCLSA-N 1 0 310.423 1.430 10 0 DDAERO C[NH2+][C@@H](C)c1cccc(NC(=O)N[C@@H](C)CS(C)(=O)=O)c1 ZINC000081905947 192338126 /nfs/dbraw/zinc/33/81/26/192338126.db2.gz INCIHSHXBGJRKK-QWRGUYRKSA-N 1 0 313.423 1.522 10 0 DDAERO CC[NH2+][C@H](CS(=O)(=O)CC)c1ccc(OC)c(OC)c1 ZINC000081925893 192339906 /nfs/dbraw/zinc/33/99/06/192339906.db2.gz YNWSVYKEDJVCNQ-GFCCVEGCSA-N 1 0 301.408 1.789 10 0 DDAERO Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NC[C@@H]([NH3+])[C@H](C)O ZINC000096767851 185386893 /nfs/dbraw/zinc/38/68/93/185386893.db2.gz BARHKVDAXAQTFM-WCQYABFASA-N 1 0 314.451 1.279 10 0 DDAERO CC[NH2+][C@H]1CCOC[C@@H]1S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000081930830 192340905 /nfs/dbraw/zinc/34/09/05/192340905.db2.gz OLNXZAJUTQDUOE-HOTGVXAUSA-N 1 0 309.431 1.716 10 0 DDAERO C[NH2+][C@H](C)c1ccc(OC)c(CS(=O)(=O)CCOC)c1 ZINC000081943191 192343776 /nfs/dbraw/zinc/34/37/76/192343776.db2.gz FVHRPVUIVVQYQB-LLVKDONJSA-N 1 0 301.408 1.537 10 0 DDAERO CSC[C@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000249464208 282158028 /nfs/dbraw/zinc/15/80/28/282158028.db2.gz PXUQQHYHJVUMMW-NWDGAFQWSA-N 1 0 304.456 1.699 10 0 DDAERO CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1S(=O)(=O)CC(=O)OC ZINC000081976210 192347418 /nfs/dbraw/zinc/34/74/18/192347418.db2.gz ZJEHCJMJASFANP-XQQFMLRXSA-N 1 0 305.440 1.521 10 0 DDAERO Cn1cc(CN(Cc2cncnc2)[C@H]2CCC[NH2+]CC2)cn1 ZINC000328624525 231256291 /nfs/dbraw/zinc/25/62/91/231256291.db2.gz CLNNVRDZJNIRIM-INIZCTEOSA-N 1 0 300.410 1.354 10 0 DDAERO COc1cc(Cl)ccc1S(=O)(=O)N[C@@H](C[NH3+])C(C)C ZINC000087404656 185224069 /nfs/dbraw/zinc/22/40/69/185224069.db2.gz OQZUXUDONAXFFK-JTQLQIEISA-N 1 0 306.815 1.610 10 0 DDAERO CC(C)COc1ccc(S(=O)(=O)N[C@H](C[NH3+])C(C)C)cc1 ZINC000087404730 185224200 /nfs/dbraw/zinc/22/42/00/185224200.db2.gz WTKLGHVFKXCVIW-OAHLLOKOSA-N 1 0 314.451 1.983 10 0 DDAERO CNS(=O)(=O)c1ccccc1Oc1ccc(CC[NH3+])cc1 ZINC000087881868 185234577 /nfs/dbraw/zinc/23/45/77/185234577.db2.gz WFRRJXGCZRRPJM-UHFFFAOYSA-N 1 0 306.387 1.888 10 0 DDAERO CC[NH2+][C@H](c1ccccc1)[C@@H](C)S(=O)(=O)CC(=O)OCC ZINC000081977008 192347579 /nfs/dbraw/zinc/34/75/79/192347579.db2.gz PZIMUEQRWLJBMG-DOMZBBRYSA-N 1 0 313.419 1.704 10 0 DDAERO [NH3+]C[C@H](NC[C@H]1CCCO1)c1cc(Cl)c2c(c1)OCCO2 ZINC000087928485 185237508 /nfs/dbraw/zinc/23/75/08/185237508.db2.gz CJXIHILAQQSNRQ-YPMHNXCESA-N 1 0 312.797 1.880 10 0 DDAERO COc1ccc([C@@H](C[NH3+])NCCCO)cc1Br ZINC000087929762 185237714 /nfs/dbraw/zinc/23/77/14/185237714.db2.gz HEDKHSHLICEJEP-LLVKDONJSA-N 1 0 303.200 1.430 10 0 DDAERO C[C@H](C[NH3+])[S@@](=O)CCOc1ccc(Br)cc1 ZINC000088067654 185238656 /nfs/dbraw/zinc/23/86/56/185238656.db2.gz UETVYUWGWWOVJV-JDNHERCYSA-N 1 0 306.225 1.924 10 0 DDAERO C[C@H]([NH3+])C[S@](=O)Cc1ccc(I)cc1 ZINC000088069446 185238712 /nfs/dbraw/zinc/23/87/12/185238712.db2.gz DSDUGPHMZJJABH-RMLUDKJBSA-N 1 0 323.199 1.887 10 0 DDAERO [NH3+][C@H](Cc1ccc(Br)cc1F)[C@@H]1COCCO1 ZINC000087857284 185233521 /nfs/dbraw/zinc/23/35/21/185233521.db2.gz BRWBFGWIVCAILT-NEPJUHHUSA-N 1 0 304.159 1.873 10 0 DDAERO CC[C@@H]1CN(c2nc(NN)[nH+]cc2Br)CCN1C ZINC000087877251 185234006 /nfs/dbraw/zinc/23/40/06/185234006.db2.gz GTFYUJSRRNZFRP-MRVPVSSYSA-N 1 0 315.219 1.055 10 0 DDAERO NNc1nc(NCCc2cscn2)c(Br)c[nH+]1 ZINC000087877920 185234026 /nfs/dbraw/zinc/23/40/26/185234026.db2.gz HOPIWAHSXDJEFY-UHFFFAOYSA-N 1 0 315.200 1.636 10 0 DDAERO C[NH2+][C@@H](c1ccccc1)[C@@H](C(C)C)S(=O)(=O)CC(=O)OC ZINC000081976113 192347931 /nfs/dbraw/zinc/34/79/31/192347931.db2.gz LCSCNPZXHKOANF-LSDHHAIUSA-N 1 0 313.419 1.560 10 0 DDAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2c3nsnc3ccc2Cl)C1 ZINC000088126547 185240413 /nfs/dbraw/zinc/24/04/13/185240413.db2.gz MDHZNBQADNGUMT-HZGVNTEJSA-N 1 0 312.782 1.660 10 0 DDAERO CC[NH2+][C@@H](c1ccccc1)[C@H](C)S(=O)(=O)CC(=O)OCC ZINC000081977010 192348273 /nfs/dbraw/zinc/34/82/73/192348273.db2.gz PZIMUEQRWLJBMG-SWLSCSKDSA-N 1 0 313.419 1.704 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)NC1(c2ccccc2)CCC1)C(C)C ZINC000183635846 539242794 /nfs/dbraw/zinc/24/27/94/539242794.db2.gz MYHGSTOAYVWPCB-MRXNPFEDSA-N 1 0 317.433 1.542 10 0 DDAERO CC(C)[NH2+][C@@](C)(CCN1CCC[C@H](C(F)(F)F)C1)C(N)=O ZINC000088435201 185249965 /nfs/dbraw/zinc/24/99/65/185249965.db2.gz NSNATNFLSUWBBG-AAEUAGOBSA-N 1 0 309.376 1.893 10 0 DDAERO CC(C)[NH2+][C@](C)(CCN1CCC(C(F)(F)F)CC1)C(N)=O ZINC000088435510 185250489 /nfs/dbraw/zinc/25/04/89/185250489.db2.gz XOWMKYBTWAOKPV-CYBMUJFWSA-N 1 0 309.376 1.893 10 0 DDAERO Cc1c(Br)cccc1C(=O)NC[C@H]([NH3+])[C@H](C)O ZINC000088442087 185250701 /nfs/dbraw/zinc/25/07/01/185250701.db2.gz CMQHJYOBBPRDBT-KWQFWETISA-N 1 0 301.184 1.195 10 0 DDAERO C[C@H](CC[NH3+])CCC(=O)Nc1cnc(Br)cn1 ZINC000088446376 185251292 /nfs/dbraw/zinc/25/12/92/185251292.db2.gz JZRUXRIQZCTBJY-QMMMGPOBSA-N 1 0 301.188 1.943 10 0 DDAERO C[C@@H](CC[NH3+])CCC(=O)Nc1cnc(Br)cn1 ZINC000088446377 185251307 /nfs/dbraw/zinc/25/13/07/185251307.db2.gz JZRUXRIQZCTBJY-MRVPVSSYSA-N 1 0 301.188 1.943 10 0 DDAERO COC[C@H](C)CNS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088543114 185256184 /nfs/dbraw/zinc/25/61/84/185256184.db2.gz CEOKQBQOAUJYLR-LLVKDONJSA-N 1 0 304.412 1.338 10 0 DDAERO CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1S(=O)(=O)CC(=O)OCC ZINC000081977979 192349034 /nfs/dbraw/zinc/34/90/34/192349034.db2.gz PXIRWUGWNQTVLA-MCIONIFRSA-N 1 0 319.467 1.767 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2sc3nccnc3c2N)C1 ZINC000088641883 185260970 /nfs/dbraw/zinc/26/09/70/185260970.db2.gz QHIYIFLTVUINHP-SECBINFHSA-N 1 0 305.407 1.488 10 0 DDAERO Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000178307328 282217118 /nfs/dbraw/zinc/21/71/18/282217118.db2.gz GSOQZPCGFWZIPD-IJEWVQPXSA-N 1 0 320.437 1.292 10 0 DDAERO CCCNS(=O)(=O)c1ccc(N(CCC)C2C[NH2+]C2)cc1 ZINC000090294206 185289858 /nfs/dbraw/zinc/28/98/58/185289858.db2.gz VHEXYYDPGVICJG-UHFFFAOYSA-N 1 0 311.451 1.563 10 0 DDAERO CCCN(C1C[NH2+]C1)S(=O)(=O)c1ccc(Cl)cc1F ZINC000090293264 185289867 /nfs/dbraw/zinc/28/98/67/185289867.db2.gz GFMHCEZXYMYWPZ-UHFFFAOYSA-N 1 0 306.790 1.852 10 0 DDAERO CCc1nn(CC)c(CN2CCN(C3C[NH2+]C3)CC2)c1Cl ZINC000090307848 185290309 /nfs/dbraw/zinc/29/03/09/185290309.db2.gz QSUQTXJVCLGMBF-UHFFFAOYSA-N 1 0 311.861 1.208 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000090312141 185290552 /nfs/dbraw/zinc/29/05/52/185290552.db2.gz OKGPFHQAQYRDQR-UTUOFQBUSA-N 1 0 302.296 1.940 10 0 DDAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)CCc1ccccc1 ZINC000090331777 185291495 /nfs/dbraw/zinc/29/14/95/185291495.db2.gz CAVLLRBAJDAEHY-OWCLPIDISA-N 1 0 308.447 1.489 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1Cc1cc(=O)n2ccsc2n1 ZINC000090332635 185291704 /nfs/dbraw/zinc/29/17/04/185291704.db2.gz RQNUFCNGVWGWQM-RAIGVLPGSA-N 1 0 304.419 1.186 10 0 DDAERO COc1cc(OC)c(NC(=O)[C@H]2COC[C@H]2[NH3+])cc1Cl ZINC000090378671 185293649 /nfs/dbraw/zinc/29/36/49/185293649.db2.gz UJGICPBBRDYRLI-IONNQARKSA-N 1 0 300.742 1.269 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000090432821 185295857 /nfs/dbraw/zinc/29/58/57/185295857.db2.gz NEUJELYPSKFRNP-PWSUYJOCSA-N 1 0 312.753 1.300 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(F)cc1Br ZINC000090432150 185295890 /nfs/dbraw/zinc/29/58/90/185295890.db2.gz YTSDXGOSQBPFRP-GZMMTYOYSA-N 1 0 317.158 1.761 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(F)cc1Br ZINC000090432153 185295894 /nfs/dbraw/zinc/29/58/94/185295894.db2.gz YTSDXGOSQBPFRP-KCJUWKMLSA-N 1 0 317.158 1.761 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1C(=O)NCc1cccc(Br)c1 ZINC000090436748 185296315 /nfs/dbraw/zinc/29/63/15/185296315.db2.gz ODTOUGVZMMRMQH-RYUDHWBXSA-N 1 0 313.195 1.300 10 0 DDAERO C[C@@]1(C(=O)Nc2c3nsnc3ccc2Cl)COC[C@H]1[NH3+] ZINC000090605884 185306429 /nfs/dbraw/zinc/30/64/29/185306429.db2.gz KZFXDYOGDFGOBJ-PRHODGIISA-N 1 0 312.782 1.647 10 0 DDAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1nc2c(s1)CCCC2 ZINC000090543910 185302129 /nfs/dbraw/zinc/30/21/29/185302129.db2.gz TVAAGWCULQYUGM-PWSUYJOCSA-N 1 0 309.435 1.975 10 0 DDAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)N1CCC(C(F)(F)F)CC1 ZINC000090546499 185302205 /nfs/dbraw/zinc/30/22/05/185302205.db2.gz BQVXONRJXAVFAR-RYUDHWBXSA-N 1 0 308.344 1.802 10 0 DDAERO [NH3+][C@@H]1CCN(C(=O)Cc2ccccc2C(F)(F)F)C[C@H]1O ZINC000082098074 192355424 /nfs/dbraw/zinc/35/54/24/192355424.db2.gz ODOJEOMDVLFUQI-VXGBXAGGSA-N 1 0 302.296 1.168 10 0 DDAERO CC[NH2+]CCc1c(CC)nn(CCS(C)(=O)=O)c1CC ZINC000092323500 185312222 /nfs/dbraw/zinc/31/22/22/185312222.db2.gz HLEPBBQQHIATBT-UHFFFAOYSA-N 1 0 301.456 1.205 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cccc(F)c1N ZINC000092622783 185330021 /nfs/dbraw/zinc/33/00/21/185330021.db2.gz HRYTZGMFWPWODU-LLVKDONJSA-N 1 0 315.414 1.513 10 0 DDAERO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(N)cc1Cl ZINC000092621888 185330106 /nfs/dbraw/zinc/33/01/06/185330106.db2.gz IONAQCXRDCJQLL-LLVKDONJSA-N 1 0 317.842 1.637 10 0 DDAERO CN(CC(=O)Nc1cc(N)ccc1Cl)C[C@H]1CCC[N@@H+]1C ZINC000092621494 185330114 /nfs/dbraw/zinc/33/01/14/185330114.db2.gz JSMGBARWAVPWNG-GFCCVEGCSA-N 1 0 310.829 1.887 10 0 DDAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](SCCS(C)(=O)=O)C2 ZINC000092860035 185346826 /nfs/dbraw/zinc/34/68/26/185346826.db2.gz JUKKRYRJPVDKJL-STQMWFEESA-N 1 0 301.433 1.398 10 0 DDAERO CCCN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1cn(CC)cn1 ZINC000092889976 185347959 /nfs/dbraw/zinc/34/79/59/185347959.db2.gz FMUUKJNOAPPNPB-LBPRGKRZSA-N 1 0 300.428 1.056 10 0 DDAERO CCn1cnc(S(=O)(=O)N2CC[C@@H]([NH3+])c3ccccc32)c1 ZINC000092889747 185348018 /nfs/dbraw/zinc/34/80/18/185348018.db2.gz UYRCXDOUUBQVEG-GFCCVEGCSA-N 1 0 306.391 1.502 10 0 DDAERO CC(C)c1cc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc(=O)[nH]1 ZINC000181386070 199288656 /nfs/dbraw/zinc/28/86/56/199288656.db2.gz JHQWCBGSQCWBPS-ZDUSSCGKSA-N 1 0 307.394 1.313 10 0 DDAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000092952280 185350457 /nfs/dbraw/zinc/35/04/57/185350457.db2.gz FAEDNTSHCIZNIQ-WCBMZHEXSA-N 1 0 306.757 1.252 10 0 DDAERO C[C@@H]1C[C@@H]1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000181604550 199326025 /nfs/dbraw/zinc/32/60/25/199326025.db2.gz AMWZDBVTEYREBT-KCXAZCMYSA-N 1 0 303.406 1.461 10 0 DDAERO C[C@H](N1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1)C(F)(F)F ZINC000262285771 282290373 /nfs/dbraw/zinc/29/03/73/282290373.db2.gz MEXSRMKZYYGHQT-TUAOUCFPSA-N 1 0 307.360 1.599 10 0 DDAERO COc1nc(NC2CCC([NH3+])CC2)ncc1Br ZINC000235034236 201911631 /nfs/dbraw/zinc/91/16/31/201911631.db2.gz VQMZQZNYTXVNDC-UHFFFAOYSA-N 1 0 301.188 1.930 10 0 DDAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1c1ccc(C(N)=O)cc1 ZINC000616637075 362764858 /nfs/dbraw/zinc/76/48/58/362764858.db2.gz RQUXBZHYOWEMIR-CYBMUJFWSA-N 1 0 305.378 1.667 10 0 DDAERO C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)C[C@@]2(CCOC2)O1 ZINC000342101720 282543353 /nfs/dbraw/zinc/54/33/53/282543353.db2.gz SUDQWOWWHIOOEC-HGTKMLMNSA-N 1 0 311.426 1.059 10 0 DDAERO C[C@H]1C[N@H+](Cc2cnc(N)s2)CC[C@@H]1NC(=O)C1(C)CC1 ZINC000725273094 539570890 /nfs/dbraw/zinc/57/08/90/539570890.db2.gz ZACPSSVIUYXGMR-JQWIXIFHSA-N 1 0 308.451 1.852 10 0 DDAERO C[NH2+]CC[C@@H]1CCCCN1S(=O)(=O)N1CCC(C)CC1 ZINC000070192286 190869913 /nfs/dbraw/zinc/86/99/13/190869913.db2.gz XDBCKLDWJGYSTE-AWEZNQCLSA-N 1 0 303.472 1.427 10 0 DDAERO C[C@H]1CCC[C@@H](C[NH3+])N1S(=O)(=O)c1c(F)cccc1F ZINC000070153925 190863555 /nfs/dbraw/zinc/86/35/55/190863555.db2.gz OQYWTJNCDZPJGN-UWVGGRQHSA-N 1 0 304.362 1.855 10 0 DDAERO C[C@H]1CCC[C@@H](C[NH3+])N1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000070153901 190863733 /nfs/dbraw/zinc/86/37/33/190863733.db2.gz JQRYWKIVBSAPAO-UWVGGRQHSA-N 1 0 304.362 1.855 10 0 DDAERO COC(=O)C(C)(C)CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000123170937 290861528 /nfs/dbraw/zinc/86/15/28/290861528.db2.gz YGJIASCMZFYVQD-LBPRGKRZSA-N 1 0 301.431 1.461 10 0 DDAERO CC(C)N(C(=O)CSc1nnc(C[NH3+])n1C1CC1)C(C)C ZINC000071376193 190963389 /nfs/dbraw/zinc/96/33/89/190963389.db2.gz BZOHAWVAFIDFTJ-UHFFFAOYSA-N 1 0 311.455 1.809 10 0 DDAERO CC(C)(C)[C@H]([NH3+])C[S@@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084055911 192397538 /nfs/dbraw/zinc/39/75/38/192397538.db2.gz MXAQKBVSERVZOR-XIKOKIGWSA-N 1 0 303.449 1.571 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)CCc2nnc(-c3ccccc3)o2)C1 ZINC000170859067 197838426 /nfs/dbraw/zinc/83/84/26/197838426.db2.gz AFLWEDVCHMXQEH-AWEZNQCLSA-N 1 0 314.389 1.832 10 0 DDAERO [NH3+]C[C@H]1c2ccc3ccccc3c2CN1CCN1CCOCC1 ZINC000071683642 191006329 /nfs/dbraw/zinc/00/63/29/191006329.db2.gz GPCUWPQSFWJWPG-IBGZPJMESA-N 1 0 311.429 1.987 10 0 DDAERO Nc1ccc(Br)cc1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000071697965 191009061 /nfs/dbraw/zinc/00/90/61/191009061.db2.gz ZOEZOIIUFLBWHP-AWEZNQCLSA-N 1 0 324.222 1.857 10 0 DDAERO CN(CCCc1cnn(C)c1)Cc1cc2n(n1)CCC[NH2+]C2 ZINC000072143416 191049971 /nfs/dbraw/zinc/04/99/71/191049971.db2.gz XOEKQTUJKPOUAJ-UHFFFAOYSA-N 1 0 302.426 1.175 10 0 DDAERO COCC[N@@H+]1CCN(CCOc2cccc(OC)c2)C[C@@H]1C ZINC000152608475 186089305 /nfs/dbraw/zinc/08/93/05/186089305.db2.gz FQWPNENJXCLGHZ-HNNXBMFYSA-N 1 0 308.422 1.727 10 0 DDAERO C=Cn1cc(C[NH2+]C[C@@H]2CCCN2c2cc(NC)ncn2)cn1 ZINC000194297608 186278971 /nfs/dbraw/zinc/27/89/71/186278971.db2.gz VDOSBSJDBRIQOC-AWEZNQCLSA-N 1 0 313.409 1.574 10 0 DDAERO O=C(Nc1ccc2c(c1)OCC(=O)N2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171891009 198002351 /nfs/dbraw/zinc/00/23/51/198002351.db2.gz RPZHXXWWQHNISQ-GFCCVEGCSA-N 1 0 316.361 1.329 10 0 DDAERO CC[C@@H]1CN(C(=O)Nc2ncccc2C)CC[N@@H+]1CCOC ZINC000172275784 198070207 /nfs/dbraw/zinc/07/02/07/198070207.db2.gz WIFVILACZSAIPU-CQSZACIVSA-N 1 0 306.410 1.965 10 0 DDAERO C[C@@H](NC(=O)Nc1ccccc1)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000057720203 352827026 /nfs/dbraw/zinc/82/70/26/352827026.db2.gz OYHKAWHGSLIHJT-QWHCGFSZSA-N 1 0 318.421 1.796 10 0 DDAERO c1ccc(C[N@H+]2CCCC[C@H]2CNc2ccc3nnnn3n2)cc1 ZINC000065201904 352948955 /nfs/dbraw/zinc/94/89/55/352948955.db2.gz FSGULAYDACFIGD-HNNXBMFYSA-N 1 0 323.404 1.986 10 0 DDAERO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCc2ncc[nH]2)cc1 ZINC000080657517 192178385 /nfs/dbraw/zinc/17/83/85/192178385.db2.gz ZTNRQFYSAHXLMJ-NSHDSACASA-N 1 0 308.407 1.559 10 0 DDAERO COc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000174004533 198279275 /nfs/dbraw/zinc/27/92/75/198279275.db2.gz IPTSSWGEQYYRIS-DOMZBBRYSA-N 1 0 312.435 1.702 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCc2cccs2)C[C@H]1C ZINC000174340580 198322218 /nfs/dbraw/zinc/32/22/18/198322218.db2.gz JBEQHZJBBOQYPC-ZIAGYGMSSA-N 1 0 310.463 1.984 10 0 DDAERO Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@H]2CCc3ncnn3C2)cc1 ZINC000105871469 353937821 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/nfs/dbraw/zinc/65/67/83/354656783.db2.gz GPHVUQXYUVOIOH-UHFFFAOYSA-N 1 0 313.239 1.995 10 0 DDAERO C[NH2+][C@H](C)c1nc(N2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1 ZINC000536958309 354692588 /nfs/dbraw/zinc/69/25/88/354692588.db2.gz XXVMBNPORZHYNV-SNVBAGLBSA-N 1 0 310.402 1.142 10 0 DDAERO CCOC(=O)CN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000592558364 355628820 /nfs/dbraw/zinc/62/88/20/355628820.db2.gz JCOIRRDSIYELMP-JKSUJKDBSA-N 1 0 318.417 1.953 10 0 DDAERO CC(C)(C)[NH2+]C[C@H](O)c1ccc(O)c(CS(C)(=O)=O)c1 ZINC000005353095 181233788 /nfs/dbraw/zinc/23/37/88/181233788.db2.gz RTLJQOLVPIGICL-ZDUSSCGKSA-N 1 0 301.408 1.358 10 0 in-man DDAERO CC1CCN(S(=O)(=O)NC2(C(N)=[NH2+])CCCCC2)CC1 ZINC000079801018 191973970 /nfs/dbraw/zinc/97/39/70/191973970.db2.gz BQKMLOXFCJXVGU-UHFFFAOYSA-N 1 0 302.444 1.192 10 0 DDAERO Cc1csc([C@@H](C)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)n1 ZINC000080273218 192019666 /nfs/dbraw/zinc/01/96/66/192019666.db2.gz RXQMCZCVKYZDKS-MFKMUULPSA-N 1 0 305.403 1.904 10 0 DDAERO 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C[C@@](O)(C[NH3+])Cc1nc(-c2ccc(Br)s2)no1 ZINC000091520437 193068378 /nfs/dbraw/zinc/06/83/78/193068378.db2.gz NOCPECNPWBEUJK-JTQLQIEISA-N 1 0 318.196 1.813 10 0 DDAERO CCc1nn2c(nc(C[N@@H+](CC)CC(C)(C)O)cc2=O)s1 ZINC000091527951 193069346 /nfs/dbraw/zinc/06/93/46/193069346.db2.gz ZTWJRJJEQPEATH-UHFFFAOYSA-N 1 0 310.423 1.306 10 0 DDAERO CCS(=O)(=O)CCC[C@@H](O)C1([NH+]2CCCC2)CCCC1 ZINC000091640416 193082145 /nfs/dbraw/zinc/08/21/45/193082145.db2.gz NIKDECGUOIJXLN-CQSZACIVSA-N 1 0 303.468 1.971 10 0 DDAERO COc1c(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)c(C)nn1C ZINC000091832927 193113971 /nfs/dbraw/zinc/11/39/71/193113971.db2.gz JPWFLIPEMSGZIF-GFCCVEGCSA-N 1 0 305.382 1.808 10 0 DDAERO C[NH2+]C1CCC(NS(=O)(=O)c2ccc3c(c2)CCO3)CC1 ZINC000091872504 193121109 /nfs/dbraw/zinc/12/11/09/193121109.db2.gz UBQRNKUQWOOLLR-UHFFFAOYSA-N 1 0 310.419 1.430 10 0 DDAERO C[NH2+]CCOc1ccc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)cc1 ZINC000092113639 193161407 /nfs/dbraw/zinc/16/14/07/193161407.db2.gz XUJKFZNFYVBSEE-STQMWFEESA-N 1 0 312.435 1.561 10 0 DDAERO C[NH2+]Cc1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)c1 ZINC000092113694 193161651 /nfs/dbraw/zinc/16/16/51/193161651.db2.gz GNPBNOHHTOWBQA-VXGBXAGGSA-N 1 0 312.435 1.691 10 0 DDAERO C[C@H](CC(=O)N1CCO[C@H](Cn2cccn2)C1)[C@H]1CCC[NH2+]C1 ZINC000252671273 202869229 /nfs/dbraw/zinc/86/92/29/202869229.db2.gz OMQFZTZRSWDWDC-PMPSAXMXSA-N 1 0 320.437 1.136 10 0 DDAERO Cc1ccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1NC(=O)C(C)(C)C ZINC000262379622 203278581 /nfs/dbraw/zinc/27/85/81/203278581.db2.gz LGOJSCHYFLFZQG-OCCSQVGLSA-N 1 0 319.405 1.641 10 0 DDAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)CCc1cccs1 ZINC000262402230 203284973 /nfs/dbraw/zinc/28/49/73/203284973.db2.gz OGWOSOAYDKWCKR-UHFFFAOYSA-N 1 0 319.434 1.915 10 0 DDAERO O=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262544388 203325822 /nfs/dbraw/zinc/32/58/22/203325822.db2.gz RRJKWBFCSWWLGG-STQMWFEESA-N 1 0 313.361 1.010 10 0 DDAERO CCC(CC)(C[NH3+])NC(=O)C[C@@H](NC(N)=O)c1cccs1 ZINC000262572406 203334732 /nfs/dbraw/zinc/33/47/32/203334732.db2.gz FNGKAMSUMVCKJO-SNVBAGLBSA-N 1 0 312.439 1.481 10 0 DDAERO COC(=O)c1c(NC(=O)COCC[NH3+])sc2c1CCCC2 ZINC000093232027 193220311 /nfs/dbraw/zinc/22/03/11/193220311.db2.gz PIBVXAAZFSUEDZ-UHFFFAOYSA-N 1 0 312.391 1.327 10 0 DDAERO CC[C@@H](C)N1C(=[NH2+])NC[C@@]1(C)c1ccc(S(C)(=O)=O)cc1 ZINC000093380735 193240739 /nfs/dbraw/zinc/24/07/39/193240739.db2.gz AQYIUFXLZPYEMS-ABAIWWIYSA-N 1 0 309.435 1.734 10 0 DDAERO CCNS(=O)(=O)c1ccc(N[C@@H](C)C[C@@H]2CCC[NH2+]2)cc1 ZINC000093464721 193256140 /nfs/dbraw/zinc/25/61/40/193256140.db2.gz WPCWFWJKSLNHHJ-JSGCOSHPSA-N 1 0 311.451 1.927 10 0 DDAERO COC(=O)[C@@]1([NH3+])CCC[C@H]1CCn1ccc(C(F)(F)F)n1 ZINC000093598794 193272312 /nfs/dbraw/zinc/27/23/12/193272312.db2.gz JNGPEHKHRWLVOD-JOYOIKCWSA-N 1 0 305.300 1.963 10 0 DDAERO CS(=O)(=O)CCSCC[C@H]1CCC[C@@]1(CO)[NH2+]C1CC1 ZINC000093621988 193275259 /nfs/dbraw/zinc/27/52/59/193275259.db2.gz IAQQUSIYDMHOKA-OCCSQVGLSA-N 1 0 321.508 1.438 10 0 DDAERO CCCCOCCOCC[C@@H]1CCC[C@]1([NH2+]CC)C(N)=O ZINC000093618613 193275429 /nfs/dbraw/zinc/27/54/29/193275429.db2.gz NRUAURRPBISDCU-GOEBONIOSA-N 1 0 300.443 1.844 10 0 DDAERO CC[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCSc1nncs1 ZINC000093629337 193276583 /nfs/dbraw/zinc/27/65/83/193276583.db2.gz RBQYGEXBRDYKGL-SKDRFNHKSA-N 1 0 300.453 1.654 10 0 DDAERO CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCSc1cnccn1 ZINC000093630843 193277206 /nfs/dbraw/zinc/27/72/06/193277206.db2.gz OVOXHHJFTDLMOU-WFASDCNBSA-N 1 0 308.451 1.981 10 0 DDAERO CN(CC[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCCC1 ZINC000093696913 193291884 /nfs/dbraw/zinc/29/18/84/193291884.db2.gz DCNTWBPJUKKGQZ-AWEZNQCLSA-N 1 0 317.499 1.122 10 0 DDAERO CCC(CC)(C(=O)C[C@H]1CCCN(S(C)(=O)=O)C1)[NH+](C)C ZINC000093699520 193293185 /nfs/dbraw/zinc/29/31/85/193293185.db2.gz AGDMNRIDLPRLHF-CYBMUJFWSA-N 1 0 318.483 1.738 10 0 DDAERO CC[NH+](CC)CC[C@@H](O)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093699752 193293541 /nfs/dbraw/zinc/29/35/41/193293541.db2.gz NMTCJVZLYIGJBD-ZIAGYGMSSA-N 1 0 306.472 1.141 10 0 DDAERO CC[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)CC(F)(F)F ZINC000093700079 193294207 /nfs/dbraw/zinc/29/42/07/193294207.db2.gz TZMIKPMVQCMYDD-QWRGUYRKSA-N 1 0 316.389 1.979 10 0 DDAERO COc1ccnc(NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000262827013 203411037 /nfs/dbraw/zinc/41/10/37/203411037.db2.gz RQHCQQXEPMTFTM-LLVKDONJSA-N 1 0 301.350 1.464 10 0 DDAERO CCN[C@]1(C(=O)OC)CCC[C@@H]([N@H+](CC)CCOCC)C1 ZINC000093755110 193299613 /nfs/dbraw/zinc/29/96/13/193299613.db2.gz MIPKIYUGFCEVSR-GDBMZVCRSA-N 1 0 300.443 1.809 10 0 DDAERO Cc1nnc(S[C@@H]2CC[C@]([NH2+]C(C)C)(C(N)=O)C2)s1 ZINC000093851493 193319193 /nfs/dbraw/zinc/31/91/93/193319193.db2.gz PMNDCQJQVBYGLY-BXKDBHETSA-N 1 0 300.453 1.713 10 0 DDAERO CCc1nn(C)c(C[C@@H]([NH3+])[C@H]2CN(C(C)C)CCO2)c1Cl ZINC000093925697 193328798 /nfs/dbraw/zinc/32/87/98/193328798.db2.gz VMZWNRFLOXSCQI-BXUZGUMPSA-N 1 0 314.861 1.615 10 0 DDAERO NC(=[NH2+])[C@@H]1CN(Cc2cc(Br)ccc2F)CCO1 ZINC000093936779 193330568 /nfs/dbraw/zinc/33/05/68/193330568.db2.gz ZQLJFPUQWOQJTF-NSHDSACASA-N 1 0 316.174 1.725 10 0 DDAERO CCCOc1cccc([C@H](C[NH3+])N(C)CCS(C)(=O)=O)c1 ZINC000094297790 193356943 /nfs/dbraw/zinc/35/69/43/193356943.db2.gz OELNACXISFADBC-HNNXBMFYSA-N 1 0 314.451 1.452 10 0 DDAERO CC[C@@H]([NH3+])[C@H](c1ccc(OC)cc1)N(C)CCS(C)(=O)=O ZINC000094297185 193357166 /nfs/dbraw/zinc/35/71/66/193357166.db2.gz ZUBIVJWQIWVHCG-CABCVRRESA-N 1 0 314.451 1.450 10 0 DDAERO CCC[NH2+][C@H]1CCC(C)(C)C[C@H]1N(C)CCS(C)(=O)=O ZINC000094298584 193357784 /nfs/dbraw/zinc/35/77/84/193357784.db2.gz HYBVVPBTWYZSNW-UONOGXRCSA-N 1 0 304.500 1.910 10 0 DDAERO CC(C)C[NH2+]Cc1cnc(N(C)CCS(C)(=O)=O)s1 ZINC000094301102 193358533 /nfs/dbraw/zinc/35/85/33/193358533.db2.gz KNTRQHNNMAPQRG-UHFFFAOYSA-N 1 0 305.469 1.370 10 0 DDAERO CN(C[C@@H]1CCCO1)c1nc(C(F)(F)F)ccc1C(N)=[NH2+] ZINC000094336704 193361168 /nfs/dbraw/zinc/36/11/68/193361168.db2.gz GTXQPWMZQTVNRS-QMMMGPOBSA-N 1 0 302.300 2.000 10 0 DDAERO C[C@@H]1CN(c2ccccc2S(=O)(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000094342362 193362402 /nfs/dbraw/zinc/36/24/02/193362402.db2.gz PBLPBWSIANLYGH-YPMHNXCESA-N 1 0 309.435 1.301 10 0 DDAERO C[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(F)cn1 ZINC000094049946 193341627 /nfs/dbraw/zinc/34/16/27/193341627.db2.gz UHISMOGQBWGMDH-SMDDNHRTSA-N 1 0 315.414 1.543 10 0 DDAERO CC[N@@H+]1CC[C@H](CNS(=O)(=O)c2cc(N)cc(F)c2C)C1 ZINC000094359457 193365061 /nfs/dbraw/zinc/36/50/61/193365061.db2.gz RHWGMCCYHLUZHO-LLVKDONJSA-N 1 0 315.414 1.336 10 0 DDAERO COCC[NH2+]Cc1ccc(OCCOCC(F)(F)F)cn1 ZINC000094212530 193349242 /nfs/dbraw/zinc/34/92/42/193349242.db2.gz MGKIYSUPMXMCRB-UHFFFAOYSA-N 1 0 308.300 1.775 10 0 DDAERO Cc1c(N[C@H](C[NH+](C)C)C(C)C)cc(N)cc1S(N)(=O)=O ZINC000094359960 193365397 /nfs/dbraw/zinc/36/53/97/193365397.db2.gz VKWYQMXJXLDUEK-CYBMUJFWSA-N 1 0 314.455 1.223 10 0 DDAERO CCC([NH3+])(CC)C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 ZINC000094244255 193354319 /nfs/dbraw/zinc/35/43/19/193354319.db2.gz KNFHYFLVQWWALD-UHFFFAOYSA-N 1 0 317.386 1.653 10 0 DDAERO CS(=O)(=O)[C@@H]1CCC[C@H](N(CCC[NH3+])C2CCCC2)C1 ZINC000094634612 193385977 /nfs/dbraw/zinc/38/59/77/193385977.db2.gz PVUPVRUYUAFXGI-LSDHHAIUSA-N 1 0 302.484 1.936 10 0 DDAERO CNC(=O)C[C@H](C[NH3+])Nc1ccc(Cl)c(Br)c1 ZINC000094668708 193390302 /nfs/dbraw/zinc/39/03/02/193390302.db2.gz ARIRRLNKHVRVFE-MRVPVSSYSA-N 1 0 320.618 1.978 10 0 DDAERO CCOCCOC1CCN(C(=O)[C@H](C[NH3+])CC(C)C)CC1 ZINC000094698705 193391564 /nfs/dbraw/zinc/39/15/64/193391564.db2.gz JTNXBQHUENQTJS-AWEZNQCLSA-N 1 0 300.443 1.652 10 0 DDAERO O=S1(=O)C=C[C@@H]([NH2+][C@@H]2CCOC3(CCSCC3)C2)C1 ZINC000094374512 193366552 /nfs/dbraw/zinc/36/65/52/193366552.db2.gz SKPRPSRWJVHFJJ-VXGBXAGGSA-N 1 0 303.449 1.332 10 0 DDAERO CN1CCO[C@@H](C[NH2+][C@@H]2CCOC3(CCSCC3)C2)C1 ZINC000094374883 193366646 /nfs/dbraw/zinc/36/66/46/193366646.db2.gz GWLPJUGUCMAXDV-KGLIPLIRSA-N 1 0 300.468 1.351 10 0 DDAERO C(C[NH2+][C@H]1CCOC2(CCSCC2)C1)CN1CCOCC1 ZINC000094367279 193366933 /nfs/dbraw/zinc/36/69/33/193366933.db2.gz XKLHHOCZTFJJDN-HNNXBMFYSA-N 1 0 314.495 1.743 10 0 DDAERO C[C@H](C(N)=S)N1CC[NH+]([C@H]2CCOC3(CCCC3)C2)CC1 ZINC000094376071 193367264 /nfs/dbraw/zinc/36/72/64/193367264.db2.gz SUZMVGDFOFSITL-KGLIPLIRSA-N 1 0 311.495 1.770 10 0 DDAERO C[NH2+][C@@H]([C@@H]1COCCO1)[C@H]1CCOC2(CCSCC2)C1 ZINC000094405454 193367704 /nfs/dbraw/zinc/36/77/04/193367704.db2.gz WLCFRRBANAEHMX-MELADBBJSA-N 1 0 301.452 1.682 10 0 DDAERO CCS(=O)(=O)N1CCC([NH2+][C@H]2CSCCC2(C)C)CC1 ZINC000094481945 193372396 /nfs/dbraw/zinc/37/23/96/193372396.db2.gz GTWBATNAJPPCKF-ZDUSSCGKSA-N 1 0 320.524 1.922 10 0 DDAERO CCS(=O)(=O)N1CCC([NH2+][C@@H]2CSCCC2(C)C)CC1 ZINC000094481944 193372929 /nfs/dbraw/zinc/37/29/29/193372929.db2.gz GTWBATNAJPPCKF-CYBMUJFWSA-N 1 0 320.524 1.922 10 0 DDAERO CC[NH2+][C@H](c1cc(Cl)ccc1OC)[C@H]1CN2CCN1CC2 ZINC000094510027 193376025 /nfs/dbraw/zinc/37/60/25/193376025.db2.gz VYGRQQGSWMZQCQ-GDBMZVCRSA-N 1 0 309.841 1.999 10 0 DDAERO [NH3+][C@@H](Cc1sccc1Br)[C@H]1CN2CCN1CC2 ZINC000094508150 193376167 /nfs/dbraw/zinc/37/61/67/193376167.db2.gz AVVXZEFMBSLGGZ-WDEREUQCSA-N 1 0 316.268 1.380 10 0 DDAERO CC[NH2+]CCCCS(=O)(=O)N(CC)Cc1cccc(C)n1 ZINC000094929091 193406843 /nfs/dbraw/zinc/40/68/43/193406843.db2.gz JMWIWMHXKNXULL-UHFFFAOYSA-N 1 0 313.467 1.931 10 0 DDAERO Cc1cc(F)c(N)cc1S(=O)(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000094779643 193396896 /nfs/dbraw/zinc/39/68/96/193396896.db2.gz FKJOVIRFYAXSGC-NSHDSACASA-N 1 0 315.414 1.431 10 0 DDAERO Cn1nccc1C[NH2+]C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000351339451 284319899 /nfs/dbraw/zinc/31/98/99/284319899.db2.gz MWIOGHLIRNEYNE-JTQLQIEISA-N 1 0 313.327 1.988 10 0 DDAERO CCCOCC[C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)[NH2+]CC ZINC000097309354 193706824 /nfs/dbraw/zinc/70/68/24/193706824.db2.gz COVAKIOYYDFAMJ-HUUCEWRRSA-N 1 0 320.499 1.843 10 0 DDAERO COC1([C@H](NN)c2c(Cl)cnn2CC[NH+](C)C)CCC1 ZINC000097646701 193743067 /nfs/dbraw/zinc/74/30/67/193743067.db2.gz PTHVTCIVAFWXOS-GFCCVEGCSA-N 1 0 301.822 1.172 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nn(C)cc1Br ZINC000393613537 307295150 /nfs/dbraw/zinc/29/51/50/307295150.db2.gz KEBZEHVYBJLFRS-MNOVXSKESA-N 1 0 313.243 1.851 10 0 DDAERO CC[NH+](CC)CCNS(=O)(=O)c1ccc(N)cc1Cl ZINC000021818192 182293509 /nfs/dbraw/zinc/29/35/09/182293509.db2.gz ZXFTYYNZGPOWMS-UHFFFAOYSA-N 1 0 305.831 1.542 10 0 DDAERO COc1ccccc1C(=O)N1C[C@@H](C)N(CC[NH+](C)C)[C@H](C)C1 ZINC000036126182 182803941 /nfs/dbraw/zinc/80/39/41/182803941.db2.gz WMEDBXSGXOLMMJ-HUUCEWRRSA-N 1 0 319.449 1.792 10 0 DDAERO CC(C)C[C@@H]1C(=O)NCCCN1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000333630776 249049108 /nfs/dbraw/zinc/04/91/08/249049108.db2.gz GOBBCDQUQZQGRZ-HZSPNIEDSA-N 1 0 310.442 1.073 10 0 DDAERO COc1cc(CCNC(=O)C[C@H](C)[NH3+])ccc1OC(F)F ZINC000040832971 183139149 /nfs/dbraw/zinc/13/91/49/183139149.db2.gz TXSBFEWTTFVOJS-VIFPVBQESA-N 1 0 302.321 1.693 10 0 DDAERO CO[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)C12CCC2 ZINC000333865004 249131817 /nfs/dbraw/zinc/13/18/17/249131817.db2.gz SONFFKIEXNNHGV-RRFJBIMHSA-N 1 0 302.422 1.993 10 0 DDAERO CCN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)N1CCCCCC1 ZINC000040748040 183128932 /nfs/dbraw/zinc/12/89/32/183128932.db2.gz ZTMJBSIZHWDGPE-YIONKMFJSA-N 1 0 315.483 1.712 10 0 DDAERO CCN(C(C)=O)c1nc(CN2[C@@H]3CC[C@H]2CC([NH3+])C3)cs1 ZINC000040750325 183129053 /nfs/dbraw/zinc/12/90/53/183129053.db2.gz ULCLFSIGSIMBGO-QXMXGUDHSA-N 1 0 308.451 1.970 10 0 DDAERO Cc1c(N)cccc1S(=O)(=O)NCC[NH+]1CCC(C)CC1 ZINC000040771101 183130934 /nfs/dbraw/zinc/13/09/34/183130934.db2.gz NMVCRUDPNDMSRA-UHFFFAOYSA-N 1 0 311.451 1.587 10 0 DDAERO OCC[C@@H]1CSCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000336711012 249230489 /nfs/dbraw/zinc/23/04/89/249230489.db2.gz LCYJQVQKTJZMFH-HZPDHXFCSA-N 1 0 311.447 1.364 10 0 DDAERO OCC[C@@H]1CSCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000336710988 249230614 /nfs/dbraw/zinc/23/06/14/249230614.db2.gz LCYJQVQKTJZMFH-CVEARBPZSA-N 1 0 311.447 1.364 10 0 DDAERO COC(=O)[C@@H](c1cc(Br)cs1)N1CC[NH2+]CC1 ZINC000041678177 183216037 /nfs/dbraw/zinc/21/60/37/183216037.db2.gz CITCKLMUZKLWNS-SNVBAGLBSA-N 1 0 319.224 1.630 10 0 DDAERO NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000042167583 183238424 /nfs/dbraw/zinc/23/84/24/183238424.db2.gz XWNYRJUPEQTDCL-QMMMGPOBSA-N 1 0 317.798 1.068 10 0 DDAERO COCCN(CC(C)C)S(=O)(=O)c1ccc(C[NH3+])s1 ZINC000042370899 183259609 /nfs/dbraw/zinc/25/96/09/183259609.db2.gz GKSNIFJCGSQTSP-UHFFFAOYSA-N 1 0 306.453 1.500 10 0 DDAERO NC(=O)[C@H](c1ccc(Br)s1)N1CCC[NH2+]CC1 ZINC000042374008 183260383 /nfs/dbraw/zinc/26/03/83/183260383.db2.gz WRZZLGVMQBIPJC-JTQLQIEISA-N 1 0 318.240 1.332 10 0 DDAERO CC[C@@H](C)N(CCOC)S(=O)(=O)CCC1CC[NH2+]CC1 ZINC000042592592 183288801 /nfs/dbraw/zinc/28/88/01/183288801.db2.gz NLMHZSAXRVAEKT-CYBMUJFWSA-N 1 0 306.472 1.453 10 0 DDAERO CC(C)[NH2+]Cc1cc2c(cc1OCCS(C)(=O)=O)OCO2 ZINC000042874906 183316338 /nfs/dbraw/zinc/31/63/38/183316338.db2.gz BDCDYGPWOAJWPI-UHFFFAOYSA-N 1 0 315.391 1.337 10 0 DDAERO CNC(=O)CN(C)[C@@H](c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000043020468 183328886 /nfs/dbraw/zinc/32/88/86/183328886.db2.gz DSFXRFVSPRAHGH-TVQRCGJNSA-N 1 0 314.227 1.515 10 0 DDAERO CCNC(=O)CN(C)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043021456 183329776 /nfs/dbraw/zinc/32/97/76/183329776.db2.gz KOTGIIGDVCPHQO-LBPRGKRZSA-N 1 0 314.227 1.517 10 0 DDAERO C[C@H]([NH3+])[C@@H](Sc1nnnn1C1CCCC1)c1cnn(C)c1 ZINC000043237481 183345548 /nfs/dbraw/zinc/34/55/48/183345548.db2.gz SPUWBXGNKGQPAE-JOYOIKCWSA-N 1 0 307.427 1.702 10 0 DDAERO C[C@H]([NH3+])[C@@H](Oc1ccc(S(C)(=O)=O)cc1)c1cnn(C)c1 ZINC000043236484 183345657 /nfs/dbraw/zinc/34/56/57/183345657.db2.gz JJJQGLZBHYKPNW-IINYFYTJSA-N 1 0 309.391 1.291 10 0 DDAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Br)s1)N(C)CC(N)=O ZINC000043259813 183348709 /nfs/dbraw/zinc/34/87/09/183348709.db2.gz FNHNVNXAZKZLJR-HQJQHLMTSA-N 1 0 320.256 1.706 10 0 DDAERO C[C@H]([NH3+])[C@H](c1cc(Br)cs1)N(CCO)CCO ZINC000043286313 183350708 /nfs/dbraw/zinc/35/07/08/183350708.db2.gz YVMLIFHJBPLLDU-GZMMTYOYSA-N 1 0 323.256 1.186 10 0 DDAERO C[NH2+][C@H](c1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300411 183352348 /nfs/dbraw/zinc/35/23/48/183352348.db2.gz BLKCLFDINBMBMG-CMPLNLGQSA-N 1 0 305.346 1.983 10 0 DDAERO CC[NH2+][C@@H](c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300935 183352536 /nfs/dbraw/zinc/35/25/36/183352536.db2.gz CISRBRFYUFGJKN-WFASDCNBSA-N 1 0 313.419 1.789 10 0 DDAERO CN(C(=O)c1ccc(F)c(C(F)(F)F)c1)[C@@H]1C[NH2+]C[C@H]1O ZINC000043566873 183371472 /nfs/dbraw/zinc/37/14/72/183371472.db2.gz JEDMHSZLSAXDME-GHMZBOCLSA-N 1 0 306.259 1.249 10 0 DDAERO CCCCOCCOC[C@@H](O)C[NH2+]CCOCCC(C)C ZINC000045106709 183482103 /nfs/dbraw/zinc/48/21/03/183482103.db2.gz DIKTZOHLTAOOGU-INIZCTEOSA-N 1 0 305.459 1.833 10 0 DDAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1nnc(-c2ccccn2)s1 ZINC000261860812 295272504 /nfs/dbraw/zinc/27/25/04/295272504.db2.gz WWDAEYFVULSBQX-NXEZZACHSA-N 1 0 303.391 1.914 10 0 DDAERO CC[NH2+][C@@](C)(CCCn1cc(Br)cn1)C(N)=O ZINC000045437172 183507923 /nfs/dbraw/zinc/50/79/23/183507923.db2.gz ZDQCAKHCAWZBFK-NSHDSACASA-N 1 0 303.204 1.279 10 0 DDAERO C[NH2+][C@](C)(CCCSc1ncnc2ccccc21)C(N)=O ZINC000045594788 183518428 /nfs/dbraw/zinc/51/84/28/183518428.db2.gz YFPURDPEWSEEFZ-OAHLLOKOSA-N 1 0 304.419 1.966 10 0 DDAERO C[NH+](C)CCCCNS(=O)(=O)c1ccc(N)cc1Cl ZINC000045665220 183522898 /nfs/dbraw/zinc/52/28/98/183522898.db2.gz OISPPCAIVGLWKV-UHFFFAOYSA-N 1 0 305.831 1.542 10 0 DDAERO CCCN(CC[NH+](C)C)S(=O)(=O)c1cc(C)c(C)c(N)c1 ZINC000045684500 183523974 /nfs/dbraw/zinc/52/39/74/183523974.db2.gz YMHMXVYTYRVFGR-UHFFFAOYSA-N 1 0 313.467 1.848 10 0 DDAERO CN1CCO[C@H](CNC(=O)NCc2cccc3ccccc32)C1 ZINC000104793056 194040220 /nfs/dbraw/zinc/04/02/20/194040220.db2.gz FJJHDBIOMFTKNV-MRXNPFEDSA-N 1 0 313.401 1.970 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(CCCOc2ccc(F)cc2)C[C@@H]1C ZINC000105822383 194137064 /nfs/dbraw/zinc/13/70/64/194137064.db2.gz CQBCIFVBCPUGLW-LSDHHAIUSA-N 1 0 310.413 1.982 10 0 DDAERO COCC[N@@H+]1CCN(Cc2cccc(NC(C)=O)c2)C[C@H]1C ZINC000105834299 194141882 /nfs/dbraw/zinc/14/18/82/194141882.db2.gz QRYNPUHBXMQNEU-CQSZACIVSA-N 1 0 305.422 1.798 10 0 DDAERO CC[C@H]1CN(CC(=O)N(C)c2ccccc2)CC[N@@H+]1CCOC ZINC000105836031 194142702 /nfs/dbraw/zinc/14/27/02/194142702.db2.gz PXPNPBIFGHNHKE-INIZCTEOSA-N 1 0 319.449 1.692 10 0 DDAERO CC[C@@H]1CN(CC(=O)NCc2ccccc2)CC[N@@H+]1CCOC ZINC000105836092 194143098 /nfs/dbraw/zinc/14/30/98/194143098.db2.gz WUVOVXNWOOIJDS-QGZVFWFLSA-N 1 0 319.449 1.345 10 0 DDAERO CCCCc1nc(CN2CC[N@H+](CCOC)[C@H](CC)C2)no1 ZINC000105837270 194143844 /nfs/dbraw/zinc/14/38/44/194143844.db2.gz AIKUSTSUQZJDAN-CQSZACIVSA-N 1 0 310.442 1.955 10 0 DDAERO CC[C@@H]1CN(Cc2nc(-c3ccoc3)no2)CC[N@@H+]1CCOC ZINC000105837425 194144117 /nfs/dbraw/zinc/14/41/17/194144117.db2.gz ZUOMOKVEKXLPEI-CQSZACIVSA-N 1 0 320.393 1.872 10 0 DDAERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(Cc3cccnc3)CC2)C1 ZINC000105845918 194145125 /nfs/dbraw/zinc/14/51/25/194145125.db2.gz CCHPNONCOWSWMN-SFHVURJKSA-N 1 0 318.465 1.308 10 0 DDAERO C[C@@H]1CC2(CN1S(=O)(=O)NC1CCCC1)CC[NH2+]CC2 ZINC000333581517 296294863 /nfs/dbraw/zinc/29/48/63/296294863.db2.gz NZCJXRPEBHMTMF-GFCCVEGCSA-N 1 0 301.456 1.227 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N(C)C[C@H]2CCCCO2)cc1 ZINC000048950694 183698907 /nfs/dbraw/zinc/69/89/07/183698907.db2.gz DOHZEXRBERPPFY-CQSZACIVSA-N 1 0 312.435 1.596 10 0 DDAERO CN(Cc1cccc(F)c1)S(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049630914 183749055 /nfs/dbraw/zinc/74/90/55/183749055.db2.gz GHIJAMXQFWNTIH-AWEZNQCLSA-N 1 0 300.399 1.729 10 0 DDAERO CCC1CCC(C[NH3+])(NS(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000050252076 183779411 /nfs/dbraw/zinc/77/94/11/183779411.db2.gz VFWIDPKNXLGCOB-UHFFFAOYSA-N 1 0 314.455 1.305 10 0 DDAERO CCNc1ncccc1S(=O)(=O)NCCCC[NH+](C)C ZINC000050672519 183798183 /nfs/dbraw/zinc/79/81/83/183798183.db2.gz ZUQJMCPFAROZPG-UHFFFAOYSA-N 1 0 300.428 1.134 10 0 DDAERO CC[NH2+]Cc1cc(N2CCS(=O)CC2)c2ccccc2n1 ZINC000109588840 194274873 /nfs/dbraw/zinc/27/48/73/194274873.db2.gz RLGYTLAZLXZRRF-UHFFFAOYSA-N 1 0 303.431 1.913 10 0 DDAERO C[C@H](C(N)=S)[NH+]1CCN(CCCOc2ccccc2)CC1 ZINC000109468533 194267493 /nfs/dbraw/zinc/26/74/93/194267493.db2.gz MGOUKCWVRMYNGQ-CQSZACIVSA-N 1 0 307.463 1.748 10 0 DDAERO CC[C@@H](C(N)=S)[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000109466555 194267565 /nfs/dbraw/zinc/26/75/65/194267565.db2.gz RFLNCHCUDKPMBF-ZDUSSCGKSA-N 1 0 312.483 1.711 10 0 DDAERO CN([C@@H](C[NH2+]C1CC1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000052482978 183861933 /nfs/dbraw/zinc/86/19/33/183861933.db2.gz OGRXWYAMKXOALG-CVEARBPZSA-N 1 0 308.447 1.599 10 0 DDAERO C[NH2+][C@@H](CCN1CCS(=O)(=O)CC1)c1ccc(Cl)cc1 ZINC000053980085 183918975 /nfs/dbraw/zinc/91/89/75/183918975.db2.gz LPOHDLCCQIJCTK-AWEZNQCLSA-N 1 0 316.854 1.721 10 0 DDAERO NC(=S)C[NH+]1CCC(NC(=O)c2cc3c(s2)CCC3)CC1 ZINC000110825982 194362153 /nfs/dbraw/zinc/36/21/53/194362153.db2.gz DMYXDCRWZOIAAT-UHFFFAOYSA-N 1 0 323.487 1.717 10 0 DDAERO C[N@@H+]1CCCC[C@H]1CNc1nc(Cl)nc(-n2cccn2)n1 ZINC000061540826 184173352 /nfs/dbraw/zinc/17/33/52/184173352.db2.gz LJWKVFYBVAWCLT-JTQLQIEISA-N 1 0 307.789 1.607 10 0 DDAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C1CC1)c1cccnc1 ZINC000061594733 184176057 /nfs/dbraw/zinc/17/60/57/184176057.db2.gz QIFUVTSCXDDXRE-NEPJUHHUSA-N 1 0 305.407 1.872 10 0 DDAERO C[C@@H](C[NH+]1CCCC1)NC(=O)[C@H](C(N)=S)c1ccccc1 ZINC000061616437 184178518 /nfs/dbraw/zinc/17/85/18/184178518.db2.gz FCXNOEIVFWZWBW-JSGCOSHPSA-N 1 0 305.447 1.657 10 0 DDAERO C[NH+](C)CC(C)(C)CNC(=O)[C@@H](C(N)=S)c1ccccc1 ZINC000061615724 184178648 /nfs/dbraw/zinc/17/86/48/184178648.db2.gz DHCBFMUXVYVXDJ-CYBMUJFWSA-N 1 0 307.463 1.760 10 0 DDAERO CCCN(CC[NH+](C)C)C(=O)[C@@H](C(N)=S)c1ccccc1 ZINC000061616752 184179060 /nfs/dbraw/zinc/17/90/60/184179060.db2.gz QSLYZLMDCPVKHK-CQSZACIVSA-N 1 0 307.463 1.857 10 0 DDAERO CCNc1ccccc1S(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061655952 184181425 /nfs/dbraw/zinc/18/14/25/184181425.db2.gz VFYDBDIJQKDLBQ-CYBMUJFWSA-N 1 0 311.451 1.833 10 0 DDAERO C[C@@H]1C[C@H](C)CN(S(=O)(=O)NCc2ccccc2C[NH3+])C1 ZINC000061841327 184189434 /nfs/dbraw/zinc/18/94/34/184189434.db2.gz PSIVXZFGELDTDV-BETUJISGSA-N 1 0 311.451 1.458 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCCO[C@@H](C)C2)cc1 ZINC000061936879 184196807 /nfs/dbraw/zinc/19/68/07/184196807.db2.gz OFCIZZHZBBZTKA-ZDUSSCGKSA-N 1 0 312.435 1.596 10 0 DDAERO C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000061950899 184198514 /nfs/dbraw/zinc/19/85/14/184198514.db2.gz NARXXHSWWDZNSG-QJPTWQEYSA-N 1 0 307.360 1.456 10 0 DDAERO COC(=O)N1CCN(C2(c3ccccc3)CC[NH+](C)CC2)CC1 ZINC000062075099 184204603 /nfs/dbraw/zinc/20/46/03/184204603.db2.gz CEYWJIPTQOGSIT-UHFFFAOYSA-N 1 0 317.433 1.992 10 0 DDAERO Cc1ccc([C@H]([C@@H](C)[NH3+])N2CCN(S(C)(=O)=O)CC2)s1 ZINC000062081664 184204830 /nfs/dbraw/zinc/20/48/30/184204830.db2.gz QHSMAKWHIAWBPN-YPMHNXCESA-N 1 0 317.480 1.022 10 0 DDAERO CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CCN(S(C)(=O)=O)CC1 ZINC000062083854 184204835 /nfs/dbraw/zinc/20/48/35/184204835.db2.gz HSVCECLSKLLJCC-KFWWJZLASA-N 1 0 317.499 1.120 10 0 DDAERO CCOC(=O)[C@@H](CC[N@H+](CCOC)CC(C)C)NC1CC1 ZINC000062458180 184238139 /nfs/dbraw/zinc/23/81/39/184238139.db2.gz NQKQRNDONJENMV-OAHLLOKOSA-N 1 0 300.443 1.665 10 0 DDAERO CC[NH+](CC)[C@H](CNS(=O)(=O)NC(C)C)c1cccs1 ZINC000062359605 184232922 /nfs/dbraw/zinc/23/29/22/184232922.db2.gz ZZOJWVRKCVXRTB-GFCCVEGCSA-N 1 0 319.496 1.963 10 0 DDAERO C[NH+](C)C(C)(C)CNC(=O)[C@H]1CCC(=O)N1c1ccccc1 ZINC000062364793 184232973 /nfs/dbraw/zinc/23/29/73/184232973.db2.gz ISKMWPZUQVUVEC-CQSZACIVSA-N 1 0 303.406 1.638 10 0 DDAERO C[C@H]([NH3+])Cc1ccc(OC[C@H](C)C(N)=O)c(Br)c1 ZINC000062704225 184248937 /nfs/dbraw/zinc/24/89/37/184248937.db2.gz PTJOTEVDQHOPJN-IUCAKERBSA-N 1 0 315.211 1.839 10 0 DDAERO COc1ccc(S(=O)(=O)NOCC[NH+]2CCCC2)c(C)c1 ZINC000062578388 184244335 /nfs/dbraw/zinc/24/43/35/184244335.db2.gz MHQDTYUYARMQPM-UHFFFAOYSA-N 1 0 314.407 1.309 10 0 DDAERO C[C@@H]1CN(C(=O)N2CCOCC2)CC[N@@H+]1CCc1ccccc1 ZINC000062691180 184247508 /nfs/dbraw/zinc/24/75/08/184247508.db2.gz MUHMQLKWIDHWIL-MRXNPFEDSA-N 1 0 317.433 1.687 10 0 DDAERO Cc1c(N)cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)cc1Cl ZINC000062965333 184262740 /nfs/dbraw/zinc/26/27/40/184262740.db2.gz YQLGYNQEAHQAKK-JTQLQIEISA-N 1 0 317.842 1.555 10 0 DDAERO O=S(=O)(Nc1ccc(N2CCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000062996928 184265063 /nfs/dbraw/zinc/26/50/63/184265063.db2.gz NTIGPHQCJDTDFU-OAHLLOKOSA-N 1 0 309.435 1.781 10 0 DDAERO CCOc1cc(C(N)=[NH2+])ccc1OCCCS(C)(=O)=O ZINC000063015220 184266819 /nfs/dbraw/zinc/26/68/19/184266819.db2.gz RIZOOLBYMUNBKA-UHFFFAOYSA-N 1 0 300.380 1.183 10 0 DDAERO CN(CC[NH+]1CCCC1)C[C@@H](O)c1ccc(C(N)=S)cc1 ZINC000063051985 184268830 /nfs/dbraw/zinc/26/88/30/184268830.db2.gz CHCNLVYJVPZZGF-OAHLLOKOSA-N 1 0 307.463 1.382 10 0 DDAERO CCN(C1(C[NH3+])CCCCCC1)S(=O)(=O)C[C@H]1CCCO1 ZINC000063154989 184274237 /nfs/dbraw/zinc/27/42/37/184274237.db2.gz LNLZHMZNWJUYAM-CQSZACIVSA-N 1 0 318.483 1.869 10 0 DDAERO [NH3+][C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000063175295 184276154 /nfs/dbraw/zinc/27/61/54/184276154.db2.gz MLNIEGXVRNKJNK-MNOVXSKESA-N 1 0 324.324 1.743 10 0 DDAERO Cc1[nH+]c(N2CCCC2)nc(NCCN2CCOC2=O)c1C ZINC000065406448 184338800 /nfs/dbraw/zinc/33/88/00/184338800.db2.gz DKLIMFDKGUWMJM-UHFFFAOYSA-N 1 0 305.382 1.558 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(Cl)c(F)c2)CCO1 ZINC000155424703 197053838 /nfs/dbraw/zinc/05/38/38/197053838.db2.gz UVUWGXIFGGTUDM-LLVKDONJSA-N 1 0 300.761 1.882 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C(C)C)N1CCCC1=O ZINC000245427535 285272518 /nfs/dbraw/zinc/27/25/18/285272518.db2.gz HOOHKJRXLLKFJM-HOCLYGCPSA-N 1 0 309.454 1.576 10 0 DDAERO COc1cccc(C[N@@H+]2CC[C@H]3OCCN(C(C)=O)[C@@H]3C2)c1 ZINC000247907409 257115157 /nfs/dbraw/zinc/11/51/57/257115157.db2.gz CQCWWEFAIIWRQP-IAGOWNOFSA-N 1 0 304.390 1.517 10 0 DDAERO O=C1[C@@H]2C[N@@H+](C3CCOCC3)C[C@H]2CCN1Cc1cccnc1 ZINC000247856415 257116020 /nfs/dbraw/zinc/11/60/20/257116020.db2.gz KAFIMDKVKOMZNZ-NVXWUHKLSA-N 1 0 315.417 1.541 10 0 DDAERO COCCO[C@@H]1CC[N@H+](C[C@@H]2CCOC2)[C@@H]1Cc1cccnc1 ZINC000247831699 257116580 /nfs/dbraw/zinc/11/65/80/257116580.db2.gz HQDNVSKZXYPMRE-RCCFBDPRSA-N 1 0 320.433 1.767 10 0 DDAERO COC[C@@H]1CNC(=O)[C@H]2CC[N@H+](Cc3cccnc3)CC[C@@H]12 ZINC000247824625 257117150 /nfs/dbraw/zinc/11/71/50/257117150.db2.gz FIQQSIOAPYZRNJ-JYJNAYRXSA-N 1 0 303.406 1.302 10 0 DDAERO O=C(C[C@@H]1CO[C@H]2CN(Cc3nccs3)C[C@H]21)N1CCCC1 ZINC000247756357 257117968 /nfs/dbraw/zinc/11/79/68/257117968.db2.gz DQQVQUWOHRODLR-RDBSUJKOSA-N 1 0 321.446 1.602 10 0 DDAERO O=C(NCC1CC1)[C@]12CCO[C@H]1CC[N@H+](Cc1ccoc1)C2 ZINC000247471644 257119206 /nfs/dbraw/zinc/11/92/06/257119206.db2.gz FOLUOEUDRWUIFS-RDJZCZTQSA-N 1 0 304.390 1.787 10 0 DDAERO CC[N@H+](CCNC(=O)N[C@H](C)c1nnc2n1CCCC2)C1CC1 ZINC000121620261 195318196 /nfs/dbraw/zinc/31/81/96/195318196.db2.gz CSYYEHBIGQNNBD-GFCCVEGCSA-N 1 0 320.441 1.459 10 0 DDAERO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000127072938 195849168 /nfs/dbraw/zinc/84/91/68/195849168.db2.gz OFNISIIYJMYYHJ-RKDXNWHRSA-N 1 0 306.790 1.837 10 0 DDAERO COC[C@H]([NH3+])C(=O)N(C)Cc1csc(Br)c1 ZINC000088003848 130085381 /nfs/dbraw/zinc/08/53/81/130085381.db2.gz RNNPWUZUJMLGSI-QMMMGPOBSA-N 1 0 307.213 1.443 10 0 DDAERO COC[C@]1(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CC[NH2+]C1 ZINC000261731726 285478320 /nfs/dbraw/zinc/47/83/20/285478320.db2.gz RHCZDGFBYQRKHG-MDZLAQPJSA-N 1 0 308.344 1.850 10 0 DDAERO C[C@@H]([NH3+])[C@@H](c1ccsc1)N1CCN(c2ncccn2)CC1 ZINC000043115892 134732230 /nfs/dbraw/zinc/73/22/30/134732230.db2.gz RSCIAJFMHJXCOE-OCCSQVGLSA-N 1 0 303.435 1.749 10 0 DDAERO CCc1noc2ncc(S(=O)(=O)N3CCCC[C@@H]3C[NH3+])cc12 ZINC000261637589 407564286 /nfs/dbraw/zinc/56/42/86/407564286.db2.gz FSHJLAAROWPDHC-SNVBAGLBSA-N 1 0 324.406 1.287 10 0 DDAERO [NH3+]C1(C(=O)NCCOc2ccc3ccccc3c2)CCOCC1 ZINC000261649309 407566283 /nfs/dbraw/zinc/56/62/83/407566283.db2.gz AISYSMBEYWMBEK-UHFFFAOYSA-N 1 0 314.385 1.843 10 0 DDAERO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1cnn(C)c1C ZINC000261651790 407569142 /nfs/dbraw/zinc/56/91/42/407569142.db2.gz HKCFINYGZGXNOJ-INIZCTEOSA-N 1 0 300.406 1.884 10 0 DDAERO [NH3+][C@@H]1CCN(c2cc(-c3nc(-c4ccccn4)no3)ccn2)C1 ZINC000070458215 406817573 /nfs/dbraw/zinc/81/75/73/406817573.db2.gz CFYYKOFGPHABDT-GFCCVEGCSA-N 1 0 308.345 1.731 10 0 DDAERO CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccc(Cl)nc1 ZINC000071189436 406832988 /nfs/dbraw/zinc/83/29/88/406832988.db2.gz RIBSUOQJPYREGX-SNVBAGLBSA-N 1 0 303.815 1.307 10 0 DDAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cc(Br)cn1C ZINC000071190432 406833938 /nfs/dbraw/zinc/83/39/38/406833938.db2.gz CTGGBWWXTXRWTC-JTQLQIEISA-N 1 0 314.227 1.811 10 0 DDAERO CCS(=O)(=O)c1ccc(NCCCN2CC[NH2+]CC2)cc1 ZINC000035348212 406972247 /nfs/dbraw/zinc/97/22/47/406972247.db2.gz AFVFQLGTAWNKJW-UHFFFAOYSA-N 1 0 311.451 1.187 10 0 DDAERO C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000029954523 406929425 /nfs/dbraw/zinc/92/94/25/406929425.db2.gz HKEDIRXXMJZGJH-ZFWWWQNUSA-N 1 0 319.449 1.956 10 0 DDAERO CCOc1ncccc1NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000048206468 407091541 /nfs/dbraw/zinc/09/15/41/407091541.db2.gz KMLMMTQJAPWLSO-ZDUSSCGKSA-N 1 0 322.409 1.449 10 0 DDAERO Cn1ccnc1C[NH2+]C[C@H]1Cn2c(-c3ccccc3)cnc2CO1 ZINC000096296457 407259181 /nfs/dbraw/zinc/25/91/81/407259181.db2.gz DKDQWTOQCFEQDM-HNNXBMFYSA-N 1 0 323.400 1.972 10 0 DDAERO [NH3+]C[C@@H]1CCCN(S(=O)(=O)c2nc3ccccc3s2)C1 ZINC000095072534 407205863 /nfs/dbraw/zinc/20/58/63/407205863.db2.gz SCMJFRZADNZLOJ-JTQLQIEISA-N 1 0 311.432 1.656 10 0 DDAERO CC[C@@](C)(O)C[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000123566863 407332636 /nfs/dbraw/zinc/33/26/36/407332636.db2.gz FTMICFPOMQXPGJ-SJLPKXTDSA-N 1 0 322.449 1.205 10 0 DDAERO C[N@H+](C[C@@H]1CCCCO1)C1CCN(CCn2cccn2)CC1 ZINC000105863027 407356615 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Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702763611 699232404 /nfs/dbraw/zinc/23/24/04/699232404.db2.gz HNFOVWCYLFWUHP-OCCSQVGLSA-N 1 0 324.425 1.344 10 0 DDAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCOC[C@H]2O)C1 ZINC000706777885 699244298 /nfs/dbraw/zinc/24/42/98/699244298.db2.gz REKDIYWCKSVVLP-MGPQQGTHSA-N 1 0 314.426 1.373 10 0 DDAERO CC(C)(C)OC(=O)NC1CC(C[NH2+][C@H]2CCOC[C@H]2O)C1 ZINC000711441522 699258115 /nfs/dbraw/zinc/25/81/15/699258115.db2.gz ZAIZAPOVSVQIMP-IFWUJCSASA-N 1 0 300.399 1.029 10 0 DDAERO Cn1cc(C[NH2+][C@@H](CO)Cc2ccccc2)c(Br)n1 ZINC000712420666 699262258 /nfs/dbraw/zinc/26/22/58/699262258.db2.gz NXZQJMMABJZTQV-CYBMUJFWSA-N 1 0 324.222 1.876 10 0 DDAERO CN(Cc1cn(C)nc1Br)[C@H]1CCC[NH2+]CC1 ZINC000712420673 699262632 /nfs/dbraw/zinc/26/26/32/699262632.db2.gz OAPMLKTVIWVXFH-NSHDSACASA-N 1 0 301.232 1.757 10 0 DDAERO [NH3+]C[C@@H]1C[C@H](C(=O)NCc2ccc(Br)cc2)CO1 ZINC000713764357 699266938 /nfs/dbraw/zinc/26/69/38/699266938.db2.gz 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ZINC000888100598 709213558 /nfs/dbraw/zinc/21/35/58/709213558.db2.gz OTLKHADKJSPLOD-JKSUJKDBSA-N 1 0 302.378 1.542 10 0 DDAERO O=C(N1CC[C@H](n2cc(C3CC3)nn2)C1)C12CC[NH+](CC1)C2 ZINC000912938196 713128303 /nfs/dbraw/zinc/12/83/03/713128303.db2.gz WUDCPTDANZHQEO-ZDUSSCGKSA-N 1 0 301.394 1.025 10 0 DDAERO COc1ccc([C@@H](C)C(=O)N(CCO)C2CC[NH+](C)CC2)cc1 ZINC000911939214 711079015 /nfs/dbraw/zinc/07/90/15/711079015.db2.gz QYABOOCAGKYTMH-CQSZACIVSA-N 1 0 320.433 1.714 10 0 DDAERO CC[C@@H]1CN(C(=O)NC[C@@H]2CC=CCC2)CC[N@@H+]1C[C@H](C)O ZINC000248465791 282085958 /nfs/dbraw/zinc/08/59/58/282085958.db2.gz ZYJSEOBKPGNGJL-ARFHVFGLSA-N 1 0 309.454 1.829 10 0 DDAERO Nc1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000078888093 185123109 /nfs/dbraw/zinc/12/31/09/185123109.db2.gz QGXLAELQFFSOBB-NSHDSACASA-N 1 0 324.222 1.952 10 0 DDAERO CC[NH2+][C@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000081934454 192343421 /nfs/dbraw/zinc/34/34/21/192343421.db2.gz KODZCPPCPLETAK-STQMWFEESA-N 1 0 305.346 1.506 10 0 DDAERO CC[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)S(=O)(=O)CCOC ZINC000081944457 192345115 /nfs/dbraw/zinc/34/51/15/192345115.db2.gz VWVLJQWGNKHWQB-SWLSCSKDSA-N 1 0 315.435 1.796 10 0 DDAERO CCOC(=O)[C@@H]1CSCCN1C(=O)CC[C@H](C)CC[NH3+] ZINC000079118300 185159251 /nfs/dbraw/zinc/15/92/51/185159251.db2.gz FRTDRJPKOHKPBO-RYUDHWBXSA-N 1 0 302.440 1.259 10 0 DDAERO COC(=O)CCN(CC(F)(F)F)C(=O)CC[C@@H](C)CC[NH3+] ZINC000079118613 185159423 /nfs/dbraw/zinc/15/94/23/185159423.db2.gz URVMOMXIUHQYAJ-SNVBAGLBSA-N 1 0 312.332 1.706 10 0 DDAERO CS(=O)(=O)N1CCC([NH2+][C@@H]2CCOc3ccccc32)CC1 ZINC000036828326 539031054 /nfs/dbraw/zinc/03/10/54/539031054.db2.gz VCUTWZZEPRXJDO-CQSZACIVSA-N 1 0 310.419 1.524 10 0 DDAERO CCC[C@@H]1CCCN(S(=O)(=O)CCN2CC[NH2+]CC2)CC1 ZINC000079358290 185167008 /nfs/dbraw/zinc/16/70/08/185167008.db2.gz OOXWHGQPLGQHSF-OAHLLOKOSA-N 1 0 317.499 1.124 10 0 DDAERO C[N@@H+]1CCC[C@H]1CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000082311175 185175017 /nfs/dbraw/zinc/17/50/17/185175017.db2.gz IHADVEBKYXRTTL-KRWDZBQOSA-N 1 0 301.434 1.815 10 0 DDAERO C[N@@H+]1CCC[C@@H]1CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000082315563 185175623 /nfs/dbraw/zinc/17/56/23/185175623.db2.gz ISRQMHBMULFKGR-CYBMUJFWSA-N 1 0 305.378 1.048 10 0 DDAERO COc1cc(C)c(S(=O)(=O)N(C)[C@@H]2CCC[NH2+]C2)cc1C ZINC000082348525 185176869 /nfs/dbraw/zinc/17/68/69/185176869.db2.gz PJYDHZUSHYEXFP-CYBMUJFWSA-N 1 0 312.435 1.685 10 0 DDAERO O[C@@H]1C[NH2+]C[C@@H]1Oc1cccc(I)c1 ZINC000082524977 185190940 /nfs/dbraw/zinc/19/09/40/185190940.db2.gz XVJNDRKMXXZIAY-ZJUUUORDSA-N 1 0 305.115 1.003 10 0 DDAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000087403827 185223949 /nfs/dbraw/zinc/22/39/49/185223949.db2.gz ARFZLCSUOSKISH-NSHDSACASA-N 1 0 314.407 1.254 10 0 DDAERO [NH3+][C@@H](Cc1ccc(I)cc1)c1c[nH]nn1 ZINC000087600390 185228977 /nfs/dbraw/zinc/22/89/77/185228977.db2.gz ARKVWOAOSCBFMS-VIFPVBQESA-N 1 0 314.130 1.652 10 0 DDAERO NC(=O)c1ccsc1NC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000087618536 185229336 /nfs/dbraw/zinc/22/93/36/185229336.db2.gz ABMNJDGNQPMZCK-LBPRGKRZSA-N 1 0 301.371 1.673 10 0 DDAERO CCOC(=O)[C@@H]1CSCCN1C(=O)C(C)(C)C(C)(C)[NH3+] ZINC000087627935 185229657 /nfs/dbraw/zinc/22/96/57/185229657.db2.gz ZBKZCDGDUWAPMV-JTQLQIEISA-N 1 0 302.440 1.257 10 0 DDAERO C[NH2+][C@@H](c1ccccc1)[C@H](C(C)C)S(=O)(=O)CC(=O)OC ZINC000081976110 192347642 /nfs/dbraw/zinc/34/76/42/192347642.db2.gz LCSCNPZXHKOANF-GJZGRUSLSA-N 1 0 313.419 1.560 10 0 DDAERO NNc1nc(NC[C@@H]2CCC[C@H]2CO)c(Br)c[nH+]1 ZINC000087890095 185234670 /nfs/dbraw/zinc/23/46/70/185234670.db2.gz KUHANFOAMBKAFF-YUMQZZPRSA-N 1 0 316.203 1.345 10 0 DDAERO C[C@@]1(CNc2nc(NN)[nH+]cc2Br)CCCO1 ZINC000087894787 185235269 /nfs/dbraw/zinc/23/52/69/185235269.db2.gz KTFAPDMKDCSXLE-JTQLQIEISA-N 1 0 302.176 1.506 10 0 DDAERO CC[NH+](CC)CCSc1nc(NN)ncc1Br ZINC000087894913 185235295 /nfs/dbraw/zinc/23/52/95/185235295.db2.gz QAOWYRVRAODGIE-UHFFFAOYSA-N 1 0 320.260 1.959 10 0 DDAERO COc1cc(CN2CC[NH2+][C@@H](C)C2)cc(Br)c1O ZINC000088058633 185238483 /nfs/dbraw/zinc/23/84/83/185238483.db2.gz UFSVIFLSKJMWOY-VIFPVBQESA-N 1 0 315.211 1.957 10 0 DDAERO C[C@@H](c1nnc2ccc(Br)cn21)N1CC[NH2+]CC1 ZINC000087846819 185233014 /nfs/dbraw/zinc/23/30/14/185233014.db2.gz CSIFBIDYKWEPSR-VIFPVBQESA-N 1 0 310.199 1.458 10 0 DDAERO C[C@H](Nc1nc(NN)[nH+]cc1Br)[C@@H]1CCCO1 ZINC000087853726 185233639 /nfs/dbraw/zinc/23/36/39/185233639.db2.gz VBRBLEWGNLUNHY-XPUUQOCRSA-N 1 0 302.176 1.504 10 0 DDAERO CN(C[C@H]1CCCO1)c1nc(NN)[nH+]cc1Br ZINC000087864434 185233755 /nfs/dbraw/zinc/23/37/55/185233755.db2.gz HCYUYHVZCLGOGN-SSDOTTSWSA-N 1 0 302.176 1.140 10 0 DDAERO CCOC1CCN(c2nc(NN)[nH+]cc2Br)CC1 ZINC000087863830 185233914 /nfs/dbraw/zinc/23/39/14/185233914.db2.gz GHNOERMMOABOEP-UHFFFAOYSA-N 1 0 316.203 1.530 10 0 DDAERO CCC[NH+](CCC)CCCNC(=O)N1CCC[C@H]1C(=O)NC ZINC000158049913 539216312 /nfs/dbraw/zinc/21/63/12/539216312.db2.gz LHZRSUOCFFNOBD-AWEZNQCLSA-N 1 0 312.458 1.419 10 0 DDAERO CO[C@@H]1CCC[C@@H]1Nc1nc(NN)[nH+]cc1Br ZINC000087868915 185234040 /nfs/dbraw/zinc/23/40/40/185234040.db2.gz GOQDIBRESMEZHI-JGVFFNPUSA-N 1 0 302.176 1.504 10 0 DDAERO COc1ccnc(C(=O)N2CCC[C@H]2Cn2ccnc2C)c1 ZINC000177198921 539230328 /nfs/dbraw/zinc/23/03/28/539230328.db2.gz KJJFTHSFFOVNQK-ZDUSSCGKSA-N 1 0 300.362 1.900 10 0 DDAERO CC(C)COC[C@H]([NH2+]C[C@@H](O)CN1CCCC1=O)c1ccco1 ZINC000184203433 539243975 /nfs/dbraw/zinc/24/39/75/539243975.db2.gz VNLCGGCOYCLZGU-CABCVRRESA-N 1 0 324.421 1.566 10 0 DDAERO CCOC(=O)[C@H]1CSCCN1C(=O)C[C@@H](C[NH3+])CC(C)C ZINC000088277093 185244612 /nfs/dbraw/zinc/24/46/12/185244612.db2.gz CLFUUFPWVHZDTQ-QWHCGFSZSA-N 1 0 316.467 1.505 10 0 DDAERO C[NH2+][C@H]1c2ccccc2CCC[C@H]1S(=O)(=O)CC(=O)OC ZINC000081975619 192348263 /nfs/dbraw/zinc/34/82/63/192348263.db2.gz FPFZFZKWGBNOLZ-HIFRSBDPSA-N 1 0 311.403 1.240 10 0 DDAERO C[NH2+][C@H]1c2ccccc2CC[C@@H]1S(=O)(=O)CCC(=O)OC ZINC000081974583 192348411 /nfs/dbraw/zinc/34/84/11/192348411.db2.gz SZHYXOQRXFRFIM-ZFWWWQNUSA-N 1 0 311.403 1.240 10 0 DDAERO CC[C@H](C[NH3+])S(=O)(=O)NCc1cccc(C(F)(F)F)c1 ZINC000088472056 185252144 /nfs/dbraw/zinc/25/21/44/185252144.db2.gz ANBQPAQFCJLCHS-LLVKDONJSA-N 1 0 310.341 1.862 10 0 DDAERO CC[C@@H](C[NH3+])S(=O)(=O)Nc1ccc2c(c1)OCCCO2 ZINC000088472021 185252341 /nfs/dbraw/zinc/25/23/41/185252341.db2.gz LFFSSLSKVMRNCQ-NSHDSACASA-N 1 0 300.380 1.327 10 0 DDAERO C[NH2+][C@](CN(C)CCC(F)(F)F)(C(N)=O)c1ccccc1 ZINC000088434685 185250061 /nfs/dbraw/zinc/25/00/61/185250061.db2.gz LBMJDXFVJUSIGN-ZDUSSCGKSA-N 1 0 303.328 1.471 10 0 DDAERO O=S(=O)(Nc1ncccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000088447278 185251288 /nfs/dbraw/zinc/25/12/88/185251288.db2.gz HABPLPJTPJJYGD-MRVPVSSYSA-N 1 0 320.212 1.338 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(CCOC)CC(C)C)o1 ZINC000088544119 185256819 /nfs/dbraw/zinc/25/68/19/185256819.db2.gz YPMJOBWNVLFOKM-UHFFFAOYSA-N 1 0 318.439 1.682 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(CCOC)[C@@H](C)CC)o1 ZINC000088544335 185256882 /nfs/dbraw/zinc/25/68/82/185256882.db2.gz GFZXKWROEUPJKD-LBPRGKRZSA-N 1 0 318.439 1.825 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)c2ncc(Br)s2)C1 ZINC000192417130 539259530 /nfs/dbraw/zinc/25/95/30/539259530.db2.gz QJGACIMTQNCSCF-ZETCQYMHSA-N 1 0 304.213 1.682 10 0 DDAERO C[C@@H](c1ccccc1C(F)(F)F)N1CC[NH2+]C[C@@H]1C(N)=O ZINC000088659111 185261821 /nfs/dbraw/zinc/26/18/21/185261821.db2.gz IAEOKKSZOIHOHM-JOYOIKCWSA-N 1 0 301.312 1.526 10 0 DDAERO CC[NH2+][C@H](C)[C@H](C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000081990715 192350248 /nfs/dbraw/zinc/35/02/48/192350248.db2.gz DQTSJHPLSRVFSB-MNOVXSKESA-N 1 0 319.448 1.250 10 0 DDAERO C[NH2+][C@H](C[S@](=O)CCS(C)(=O)=O)c1ccccc1C ZINC000081992077 192351536 /nfs/dbraw/zinc/35/15/36/192351536.db2.gz CXCBRYLSWVVIOE-ACJLOTCBSA-N 1 0 303.449 1.049 10 0 DDAERO CC[NH2+][C@H](C[S@@](=O)CCS(C)(=O)=O)c1ccccc1 ZINC000081991926 192352258 /nfs/dbraw/zinc/35/22/58/192352258.db2.gz DTOAFQANQMSXFS-FZKQIMNGSA-N 1 0 303.449 1.131 10 0 DDAERO C[C@@H]([NH2+]C[C@@](C)(O)CO)c1ccc(F)c(Br)c1 ZINC000090285138 185289363 /nfs/dbraw/zinc/28/93/63/185289363.db2.gz AIWGPKXEEGVXJP-PRHODGIISA-N 1 0 306.175 1.982 10 0 DDAERO OC[C@@H](O)C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000090281926 185289439 /nfs/dbraw/zinc/28/94/39/185289439.db2.gz XZRRCLQXRGRXDM-CMPLNLGQSA-N 1 0 316.195 1.606 10 0 DDAERO C[C@](O)(CO)C[NH2+]CCOc1ccc(Br)cc1 ZINC000090288667 185289626 /nfs/dbraw/zinc/28/96/26/185289626.db2.gz LUPWVNNNDUPXJF-GFCCVEGCSA-N 1 0 304.184 1.161 10 0 DDAERO CCCN(c1ccccc1S(=O)(=O)C(F)F)C1C[NH2+]C1 ZINC000090294113 185289817 /nfs/dbraw/zinc/28/98/17/185289817.db2.gz HOMRGNQWAWRSRX-UHFFFAOYSA-N 1 0 304.362 1.871 10 0 DDAERO Brc1ccc(CN2CCN(C3C[NH2+]C3)CC2)o1 ZINC000090306761 185290245 /nfs/dbraw/zinc/29/02/45/185290245.db2.gz GJMGEDUAFVBFLV-UHFFFAOYSA-N 1 0 300.200 1.132 10 0 DDAERO O=C(/C=C/c1ccc(Cl)cc1)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308717 185290349 /nfs/dbraw/zinc/29/03/49/185290349.db2.gz RFXIBQBMVJMCAP-ZZXKWVIFSA-N 1 0 305.809 1.469 10 0 DDAERO Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090322311 185290932 /nfs/dbraw/zinc/29/09/32/185290932.db2.gz UEZHJLYPTWUYOG-QWRGUYRKSA-N 1 0 300.811 1.488 10 0 DDAERO O=S(=O)(c1cccc(Cl)c1Cl)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090321909 185291015 /nfs/dbraw/zinc/29/10/15/185291015.db2.gz XPCVZMMHSGDNDM-RKDXNWHRSA-N 1 0 321.229 1.833 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1cc(C)sc1C ZINC000090331853 185291600 /nfs/dbraw/zinc/29/16/00/185291600.db2.gz NJCSXAMBMBQPIG-JHJVBQTASA-N 1 0 314.476 1.983 10 0 DDAERO COc1cc(Cl)c(NC(=O)[C@@H]2COC[C@@H]2[NH3+])cc1OC ZINC000090380470 185293751 /nfs/dbraw/zinc/29/37/51/185293751.db2.gz PCBJAOUUDBCSPA-APPZFPTMSA-N 1 0 300.742 1.269 10 0 DDAERO C[C@@]1(C(=O)NCc2cccc(Br)c2)COC[C@@H]1[NH3+] ZINC000090600041 185305707 /nfs/dbraw/zinc/30/57/07/185305707.db2.gz HHUIKOLAWGKKGX-WCQYABFASA-N 1 0 313.195 1.429 10 0 DDAERO CCC[NH2+][C@@H]1COC[C@@H]1CN1CCN(CC(F)(F)F)CC1 ZINC000090566830 185304108 /nfs/dbraw/zinc/30/41/08/185304108.db2.gz KEIZHJZJOZZVEK-QWHCGFSZSA-N 1 0 309.376 1.181 10 0 DDAERO Cc1noc(C)c1[C@@H](C)NS(=O)(=O)[C@@H](C)C[NH2+]C(C)C ZINC000092344101 185313353 /nfs/dbraw/zinc/31/33/53/185313353.db2.gz PXPKAULQTLMHHE-GXSJLCMTSA-N 1 0 303.428 1.658 10 0 DDAERO NNc1cccc(CN2C(=O)COc3ccc(Cl)cc32)[nH+]1 ZINC000092370876 185314404 /nfs/dbraw/zinc/31/44/04/185314404.db2.gz CHGDHTWVWXXPBF-UHFFFAOYSA-N 1 0 304.737 1.946 10 0 DDAERO COCC[NH2+]CC(=O)Nc1ccc(OC)cc1C(F)(F)F ZINC000092495351 185322335 /nfs/dbraw/zinc/32/23/35/185322335.db2.gz PFIMYMVJWBUTGZ-UHFFFAOYSA-N 1 0 306.284 1.889 10 0 DDAERO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccnc(Cl)c1 ZINC000092627676 185330275 /nfs/dbraw/zinc/33/02/75/185330275.db2.gz WPBARZHREPMAHH-JTQLQIEISA-N 1 0 303.815 1.450 10 0 DDAERO C[C@@H]1c2ccsc2CCN1C(=O)c1cn(C2C[NH2+]C2)nn1 ZINC000092701548 185333749 /nfs/dbraw/zinc/33/37/49/185333749.db2.gz IOOSLGOLUDCPPT-SECBINFHSA-N 1 0 303.391 1.243 10 0 DDAERO CC[NH2+][C@H]1c2cc(OC)ccc2C[C@H]1Sc1nnnn1C ZINC000092860408 185347199 /nfs/dbraw/zinc/34/71/99/185347199.db2.gz GTOAYMGVHWXATE-OLZOCXBDSA-N 1 0 305.407 1.586 10 0 DDAERO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000092951889 185350428 /nfs/dbraw/zinc/35/04/28/185350428.db2.gz JGWVHLDFXLLHMB-SCZZXKLOSA-N 1 0 316.810 1.680 10 0 DDAERO CCC(=O)N1CC[C@@H](C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000181432720 199295991 /nfs/dbraw/zinc/29/59/91/199295991.db2.gz FKNYTMFFWYLXGH-GFCCVEGCSA-N 1 0 305.378 1.221 10 0 DDAERO O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261919840 282289532 /nfs/dbraw/zinc/28/95/32/282289532.db2.gz YPXFRMGGRNMZIR-ZNMIVQPWSA-N 1 0 319.449 1.236 10 0 DDAERO CC[C@H]1CN(C(=O)NOCc2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000181705082 199341715 /nfs/dbraw/zinc/34/17/15/199341715.db2.gz KBUBTDSJNDUAIG-ZBFHGGJFSA-N 1 0 321.421 1.605 10 0 DDAERO O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1nnc[nH]1 ZINC000381772966 539503922 /nfs/dbraw/zinc/50/39/22/539503922.db2.gz BHELHOMUJQRENO-SOUVJXGZSA-N 1 0 311.389 1.445 10 0 DDAERO CN1C[C@@H]([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1=O ZINC000381961284 539504612 /nfs/dbraw/zinc/50/46/12/539504612.db2.gz GZTYFILKAUDSEA-STQMWFEESA-N 1 0 311.426 1.454 10 0 DDAERO CCC[C@@H](C[NH3+])N1CCN(S(=O)(=O)CCC(C)C)CC1 ZINC000111657009 185621812 /nfs/dbraw/zinc/62/18/12/185621812.db2.gz XUQGAVUMXNAUNV-AWEZNQCLSA-N 1 0 305.488 1.107 10 0 DDAERO C[NH2+][C@@H](C)[C@H]1CCCN(S(=O)(=O)CCc2ccccn2)C1 ZINC000111714149 185629369 /nfs/dbraw/zinc/62/93/69/185629369.db2.gz RDKLXDOEMSUNSB-KBPBESRZSA-N 1 0 311.451 1.274 10 0 DDAERO CC(C)C[NH2+]C[C@@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 ZINC000111719851 185630918 /nfs/dbraw/zinc/63/09/18/185630918.db2.gz MLRXYFGXKSUQIZ-HNNXBMFYSA-N 1 0 317.499 1.675 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCOC[C@H]1CCCO1 ZINC000119498427 185752703 /nfs/dbraw/zinc/75/27/03/185752703.db2.gz KPZAHLKPXUXVCH-HZPDHXFCSA-N 1 0 312.454 1.809 10 0 DDAERO C[NH2+]CC[C@H]1CCCCN1S(=O)(=O)Cc1cc(C)on1 ZINC000070192256 190870029 /nfs/dbraw/zinc/87/00/29/190870029.db2.gz GFNAMRAKFMXYJQ-CYBMUJFWSA-N 1 0 301.412 1.277 10 0 DDAERO COc1ccc(S(=O)(=O)N2[C@H](C)CCC[C@@H]2C[NH3+])cc1F ZINC000070153641 190863738 /nfs/dbraw/zinc/86/37/38/190863738.db2.gz WLVOQVMJUFKCAQ-GHMZBOCLSA-N 1 0 316.398 1.725 10 0 DDAERO CCCN(CCC)S(=O)(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000070196035 190870765 /nfs/dbraw/zinc/87/07/65/190870765.db2.gz UPALBXFVFBKVCW-AWEZNQCLSA-N 1 0 311.451 1.743 10 0 DDAERO CC[C@@H]1C[C@](C[NH3+])(N2CCN(c3nccs3)CC2)CCO1 ZINC000070362929 190882712 /nfs/dbraw/zinc/88/27/12/190882712.db2.gz CSGSHSLYWXGCID-UKRRQHHQSA-N 1 0 310.467 1.552 10 0 DDAERO CCc1nc(S(=O)(=O)N(C)C2CC[NH+](CC)CC2)c[nH]1 ZINC000070420162 190888912 /nfs/dbraw/zinc/88/89/12/190888912.db2.gz KDTQEFCYXDEROT-UHFFFAOYSA-N 1 0 300.428 1.077 10 0 DDAERO C[NH2+]C[C@@H](Cc1ccc2c(c1)CCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000070502222 190902734 /nfs/dbraw/zinc/90/27/34/190902734.db2.gz RZEBVRVWXPAZSQ-IAGOWNOFSA-N 1 0 307.459 1.988 10 0 DDAERO C[NH2+]Cc1ccc(O[C@H]2CCN(C)C2=O)c(Br)c1 ZINC000071183123 190937901 /nfs/dbraw/zinc/93/79/01/190937901.db2.gz SAEBKZOZCQBMHE-LBPRGKRZSA-N 1 0 313.195 1.778 10 0 DDAERO CCC1(CC)C[NH2+]C2(CCCC2)CN1CCS(C)(=O)=O ZINC000071359100 190962368 /nfs/dbraw/zinc/96/23/68/190962368.db2.gz WDADMZSQLLTMEY-UHFFFAOYSA-N 1 0 302.484 1.808 10 0 DDAERO C[NH2+]Cc1ccc(O[C@@H]2CCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000071398465 190967233 /nfs/dbraw/zinc/96/72/33/190967233.db2.gz NNFHZPRPGIMVNP-SNVBAGLBSA-N 1 0 323.336 1.991 10 0 DDAERO CCC[C@@H](C[S@@](=O)c1ccc(S(C)(=O)=O)cc1)[NH2+]C ZINC000084056384 192397528 /nfs/dbraw/zinc/39/75/28/192397528.db2.gz CCLZBJJUDRRSRD-VOJFVSQTSA-N 1 0 303.449 1.586 10 0 DDAERO CC(C)(C)[C@@H]([NH3+])C[S@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084055922 192398301 /nfs/dbraw/zinc/39/83/01/192398301.db2.gz MXAQKBVSERVZOR-KPZWWZAWSA-N 1 0 303.449 1.571 10 0 DDAERO [NH3+][C@@H]1CCC[C@H](S(=O)(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000084430153 192430378 /nfs/dbraw/zinc/43/03/78/192430378.db2.gz FUSBKBQLJFKGLV-NEPJUHHUSA-N 1 0 311.403 1.892 10 0 DDAERO [NH3+]Cc1nnc(-c2ccc(I)cc2)[nH]1 ZINC000072236525 191080015 /nfs/dbraw/zinc/08/00/15/191080015.db2.gz QQOLKCXWKJCFTA-UHFFFAOYSA-N 1 0 300.103 1.535 10 0 DDAERO CCN(C)C(=O)c1cccc(C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000171508335 186170319 /nfs/dbraw/zinc/17/03/19/186170319.db2.gz XWAKKXOUKADQMB-HNNXBMFYSA-N 1 0 303.406 1.555 10 0 DDAERO COC(=O)Nc1cccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171480400 186166678 /nfs/dbraw/zinc/16/66/78/186166678.db2.gz RLNKYJQZMRVLBJ-CQSZACIVSA-N 1 0 303.362 1.785 10 0 DDAERO COc1ccc(CCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171897272 198003897 /nfs/dbraw/zinc/00/38/97/198003897.db2.gz HUEXFYWMWHANEQ-OAHLLOKOSA-N 1 0 303.406 1.727 10 0 DDAERO COCCOc1ccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000172306707 198077227 /nfs/dbraw/zinc/07/72/27/198077227.db2.gz ILFXIGTYUHSIAH-INIZCTEOSA-N 1 0 322.405 1.114 10 0 DDAERO CS(=O)(=O)c1cccc(OCCN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000172536010 198111651 /nfs/dbraw/zinc/11/16/51/198111651.db2.gz GKSMDJBNQYEQSK-CQSZACIVSA-N 1 0 324.446 1.249 10 0 DDAERO CNC(=O)c1c[nH]nc1[C@@]1(C)CCC[N@H+](Cc2ccccn2)C1 ZINC000072388729 191147622 /nfs/dbraw/zinc/14/76/22/191147622.db2.gz TZKWMZUWRBJDPK-KRWDZBQOSA-N 1 0 313.405 1.718 10 0 DDAERO CCOC(=O)C1=C(O)C(C)(C)[C@@H](Cc2ccc(OC)cc2)[NH2+]C1 ZINC000039131003 352298426 /nfs/dbraw/zinc/29/84/26/352298426.db2.gz GMLGGPOLRNWDMB-LSDHHAIUSA-N 1 0 319.401 1.984 10 0 DDAERO COC(=O)C[C@H](NC(=O)C[C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000054307275 352686226 /nfs/dbraw/zinc/68/62/26/352686226.db2.gz CDEZRZBRGUGFKN-RYUDHWBXSA-N 1 0 310.419 1.858 10 0 DDAERO COc1cc(C)ccc1NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000056864329 352787461 /nfs/dbraw/zinc/78/74/61/352787461.db2.gz GEVRNQNVTDIXIA-AWEZNQCLSA-N 1 0 321.421 1.972 10 0 DDAERO CC[C@H]1CN(C(=O)Nc2ccnn2C(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000173272707 198204175 /nfs/dbraw/zinc/20/41/75/198204175.db2.gz RFXXJDAGRQQPRC-KGLIPLIRSA-N 1 0 323.441 1.773 10 0 DDAERO C[C@H]1CN(C(=O)c2cc3ccccn3c2)C[C@H]1N1CCOCC1 ZINC000173416994 198212451 /nfs/dbraw/zinc/21/24/51/198212451.db2.gz KXSSUPPJEWGDSS-WMLDXEAASA-N 1 0 313.401 1.732 10 0 DDAERO COCCC[N@H+](C)CCNC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000173582228 198229899 /nfs/dbraw/zinc/22/98/99/198229899.db2.gz QRSATBIQNCOUBK-OAHLLOKOSA-N 1 0 323.441 1.235 10 0 DDAERO C[C@@H](O)CN1CCN(C(=O)c2ccc(Cl)s2)C[C@@H]1C ZINC000174321635 198319266 /nfs/dbraw/zinc/31/92/66/198319266.db2.gz LIDJBEANNNQCKC-VHSXEESVSA-N 1 0 302.827 1.929 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cn(C)c3ccccc23)C[C@H]1C ZINC000174328829 198320295 /nfs/dbraw/zinc/32/02/95/198320295.db2.gz ZXSARSDFZJAEMI-ZIAGYGMSSA-N 1 0 315.417 1.705 10 0 DDAERO NC(=O)Cc1nn(CC2CC[NH+](CCF)CC2)c2ccccc12 ZINC000117734913 353994764 /nfs/dbraw/zinc/99/47/64/353994764.db2.gz DJQVIJABMXZIFQ-UHFFFAOYSA-N 1 0 318.396 1.746 10 0 DDAERO CCC[C@@H]([NH3+])C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 ZINC000236798985 202014664 /nfs/dbraw/zinc/01/46/64/202014664.db2.gz PRPMONYNKWCSKY-CYBMUJFWSA-N 1 0 303.362 1.402 10 0 DDAERO COC(=O)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000253146680 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O=S(=O)(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1cccc2c1CC[NH2+]C2 ZINC000080155291 192006473 /nfs/dbraw/zinc/00/64/73/192006473.db2.gz GEUICMRAVKWLGL-YWPYICTPSA-N 1 0 306.431 1.799 10 0 DDAERO [NH3+]CCc1ccc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)s1 ZINC000080157077 192006925 /nfs/dbraw/zinc/00/69/25/192006925.db2.gz LHBPRYXANIFPLC-UMNHJUIQSA-N 1 0 300.449 1.716 10 0 DDAERO CC[C@H](NS(=O)(=O)CC1CC[NH2+]CC1)c1nccs1 ZINC000080315034 192023614 /nfs/dbraw/zinc/02/36/14/192023614.db2.gz ILFRUYHQDYJYLJ-NSHDSACASA-N 1 0 303.453 1.513 10 0 DDAERO CCOC(=O)[C@H]1CSCCN1C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085367654 192496734 /nfs/dbraw/zinc/49/67/34/192496734.db2.gz HGNRNZZIOSQWGW-SDDRHHMPSA-N 1 0 300.424 1.011 10 0 DDAERO [NH3+]CC[C@H](N1CCn2c(nnc2C(F)(F)F)C1)C(F)(F)F ZINC000081531782 192284907 /nfs/dbraw/zinc/28/49/07/192284907.db2.gz CIJPTRLQYAORLB-LURJTMIESA-N 1 0 317.237 1.392 10 0 DDAERO CC[C@@H](C[NH2+]C1CC1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081542735 192287419 /nfs/dbraw/zinc/28/74/19/192287419.db2.gz 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CC(C)(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261617047 203080314 /nfs/dbraw/zinc/08/03/14/203080314.db2.gz BTVPEVUCMQZLPA-RISCZKNCSA-N 1 0 319.405 1.660 10 0 DDAERO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC([C@H](O)c3ccccc3)CC2)O1 ZINC000261756124 203109517 /nfs/dbraw/zinc/10/95/17/203109517.db2.gz LLUMXSSNALFTIH-IXDOHACOSA-N 1 0 318.417 1.465 10 0 DDAERO O=C(CC[C@H]1CC[NH2+]C1)NCC[S@@](=O)Cc1ccccc1 ZINC000261894454 203145774 /nfs/dbraw/zinc/14/57/74/203145774.db2.gz XGXGXIVLIVKFCW-LHSJRXKWSA-N 1 0 308.447 1.441 10 0 DDAERO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)O1 ZINC000262114977 203202633 /nfs/dbraw/zinc/20/26/33/203202633.db2.gz VWTDUPIHHDDFLS-NCOADZHNSA-N 1 0 318.417 1.607 10 0 DDAERO Cc1ccccc1CC(=O)Nc1nc(C2CC[NH2+]CC2)nn1C ZINC000262427510 203291329 /nfs/dbraw/zinc/29/13/29/203291329.db2.gz RIMLEYRXVGSABZ-UHFFFAOYSA-N 1 0 313.405 1.772 10 0 DDAERO COC(=O)CC[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000093210910 193216479 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COc1ccc(C)cc1[C@@H](O)C[NH2+]CC(C)(C)S(C)(=O)=O ZINC000093519522 193262676 /nfs/dbraw/zinc/26/26/76/193262676.db2.gz MCICGPZTHBEFCW-ZDUSSCGKSA-N 1 0 315.435 1.450 10 0 DDAERO CC(C)(CN1CC[NH2+][C@H](C2CCCCC2)C1)S(C)(=O)=O ZINC000093525812 193264228 /nfs/dbraw/zinc/26/42/28/193264228.db2.gz WTPGYAGQHFXMNJ-AWEZNQCLSA-N 1 0 302.484 1.664 10 0 DDAERO Cc1nc2sccn2c1C[NH2+]CC(C)(C)S(C)(=O)=O ZINC000093523368 193264378 /nfs/dbraw/zinc/26/43/78/193264378.db2.gz SYSMYKOLIOKMCM-UHFFFAOYSA-N 1 0 301.437 1.617 10 0 DDAERO [NH3+][C@@H]1CCC[C@@H]1CCN1CCn2c(nnc2C(F)(F)F)C1 ZINC000093555757 193267367 /nfs/dbraw/zinc/26/73/67/193267367.db2.gz MBNBWLCLGXNVOB-NXEZZACHSA-N 1 0 303.332 1.630 10 0 DDAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@@H](O)COCC(C)C ZINC000246302178 284167295 /nfs/dbraw/zinc/16/72/95/284167295.db2.gz QAZUBBHGQHBUSA-JJXSEGSLSA-N 1 0 313.438 1.826 10 0 DDAERO CC[NH2+][C@@]1(C(=O)[O-])CCC[C@@H]1CC[N@H+](CC)CCOCC ZINC000093594580 193270669 /nfs/dbraw/zinc/27/06/69/193270669.db2.gz WECAUVYMNRPBES-ZBFHGGJFSA-N 1 0 300.443 1.968 10 0 DDAERO COC(=O)[C@@]1([NH3+])CCC[C@H]1CCSc1nnc(C)s1 ZINC000093629688 193275845 /nfs/dbraw/zinc/27/58/45/193275845.db2.gz ITGCVEHQHDOGIC-JOYOIKCWSA-N 1 0 301.437 1.999 10 0 DDAERO Cn1cnnc1SCC[C@H]1CCC[C@@]1([NH2+]C1CC1)C(N)=O ZINC000093629207 193276505 /nfs/dbraw/zinc/27/65/05/193276505.db2.gz ZXNXIWAUQIHARJ-YGRLFVJLSA-N 1 0 309.439 1.074 10 0 DDAERO CS(=O)(=O)c1ccc(OCC[C@H]2CCC[C@]2(O)C[NH3+])cc1 ZINC000093628238 193276823 /nfs/dbraw/zinc/27/68/23/193276823.db2.gz UFDCJOVFOWZRON-DOMZBBRYSA-N 1 0 313.419 1.349 10 0 DDAERO Cc1nnc(SCC[C@@H]2CCC[C@@]2([NH2+]C(C)C)C(N)=O)o1 ZINC000093630238 193277154 /nfs/dbraw/zinc/27/71/54/193277154.db2.gz VHCQVGWCYUMCCL-FZMZJTMJSA-N 1 0 312.439 1.882 10 0 DDAERO CS(=O)(=O)N1CCC[C@@H](COC2(C[NH3+])CCCCCC2)C1 ZINC000093695782 193290582 /nfs/dbraw/zinc/29/05/82/193290582.db2.gz SIOIWSOWNMNUSU-CQSZACIVSA-N 1 0 318.483 1.726 10 0 DDAERO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2Cc3ccc(N)cc3C2)C1 ZINC000093697705 193292928 /nfs/dbraw/zinc/29/29/28/193292928.db2.gz SYYPVQMHGLIHSB-GFCCVEGCSA-N 1 0 309.435 1.256 10 0 DDAERO CCC[NH+]1CCC(O)(C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093698682 193293602 /nfs/dbraw/zinc/29/36/02/193293602.db2.gz KKQWWKTXZGWQEK-CQSZACIVSA-N 1 0 318.483 1.285 10 0 DDAERO CCC[NH2+][C@H](CSC)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700247 193293817 /nfs/dbraw/zinc/29/38/17/193293817.db2.gz DPHJPIWQCHJJHJ-STQMWFEESA-N 1 0 308.513 1.779 10 0 DDAERO CCC[NH2+]Cc1cnn(C[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000093701700 193294757 /nfs/dbraw/zinc/29/47/57/193294757.db2.gz HGCVHMWRGYQRIX-CYBMUJFWSA-N 1 0 314.455 1.054 10 0 DDAERO C[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCOCC1 ZINC000093700565 193294807 /nfs/dbraw/zinc/29/48/07/193294807.db2.gz PNUKPFALOOJEGZ-JSGCOSHPSA-N 1 0 304.456 1.063 10 0 DDAERO CS(=O)(=O)N1CCC[C@H](CC2(C[NH2+]C3CC3)CCC2)C1 ZINC000093701617 193295093 /nfs/dbraw/zinc/29/50/93/193295093.db2.gz NRKYUDKBOHNAKN-CYBMUJFWSA-N 1 0 300.468 1.970 10 0 DDAERO CC[NH2+][C@]1(C(=O)[O-])CCC[C@H]([N@H+](CCOC)CC(C)C)C1 ZINC000093751559 193299619 /nfs/dbraw/zinc/29/96/19/193299619.db2.gz TXCZPYDQXQQZBB-GOEBONIOSA-N 1 0 300.443 1.966 10 0 DDAERO NC(=O)[C@@]1([NH3+])CCC[C@H](Sc2nnc3n2CCCCC3)C1 ZINC000093777757 193305398 /nfs/dbraw/zinc/30/53/98/193305398.db2.gz JMVSZXYOEYTKED-IINYFYTJSA-N 1 0 309.439 1.222 10 0 DDAERO CC1(C)C([NH3+])C(C)(C)C1NS(=O)(=O)c1cccc(F)c1 ZINC000094006469 193338463 /nfs/dbraw/zinc/33/84/63/193338463.db2.gz OPSBDADZVUGKSW-UHFFFAOYSA-N 1 0 300.399 1.866 10 0 DDAERO NC(=O)[C@]1([NH2+]C2CC2)CC[C@@H](n2cc(Br)cn2)C1 ZINC000093833141 193315331 /nfs/dbraw/zinc/31/53/31/193315331.db2.gz YAOVZBYGQKYBTK-PWSUYJOCSA-N 1 0 313.199 1.347 10 0 DDAERO CC[NH2+][C@]1(C(N)=O)CC[C@@H](Sc2nc(C)c(C)c(C)n2)C1 ZINC000093854139 193319383 /nfs/dbraw/zinc/31/93/83/193319383.db2.gz HOPJVKHJQDCUOQ-IUODEOHRSA-N 1 0 308.451 1.880 10 0 DDAERO CC1(C)C([NH3+])C(C)(C)C1NS(=O)(=O)c1ccc(F)cc1 ZINC000094006524 193338840 /nfs/dbraw/zinc/33/88/40/193338840.db2.gz LXOAXRAMSUSNQG-UHFFFAOYSA-N 1 0 300.399 1.866 10 0 DDAERO NC(=O)[C@]1([NH3+])CC[C@@H](Sc2ncccc2Br)C1 ZINC000093853871 193320146 /nfs/dbraw/zinc/32/01/46/193320146.db2.gz BRAUCPSHTKZUDC-HQJQHLMTSA-N 1 0 316.224 1.672 10 0 DDAERO CCCN(CC(C)(C)C[NH3+])S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000093878245 193322351 /nfs/dbraw/zinc/32/23/51/193322351.db2.gz LTBXSGRSGGCJMG-BETUJISGSA-N 1 0 321.487 1.037 10 0 DDAERO CCC[NH2+][C@@H](c1cc(Cl)cnc1N)[C@H]1CN(C)CCN1C ZINC000093895765 193325819 /nfs/dbraw/zinc/32/58/19/193325819.db2.gz KFADTYHFPGQGIP-KGLIPLIRSA-N 1 0 311.861 1.604 10 0 DDAERO Cc1ccc(F)c(S(=O)(=O)N(C)CC2CC[NH2+]CC2)c1 ZINC000094023776 193339343 /nfs/dbraw/zinc/33/93/43/193339343.db2.gz QUUFXXCKXDKIDO-UHFFFAOYSA-N 1 0 300.399 1.754 10 0 DDAERO CCC[NH2+][C@@H]1[C@@H](N(C)CCS(C)(=O)=O)CCCC1(C)C ZINC000094298039 193357181 /nfs/dbraw/zinc/35/71/81/193357181.db2.gz LOKRFBZNHKIFDO-UONOGXRCSA-N 1 0 304.500 1.910 10 0 DDAERO CCC[NH2+][C@H]1[C@@H](N(C)CCS(C)(=O)=O)CCCC1(C)C ZINC000094298040 193357192 /nfs/dbraw/zinc/35/71/92/193357192.db2.gz LOKRFBZNHKIFDO-KBPBESRZSA-N 1 0 304.500 1.910 10 0 DDAERO CC(C)C[NH2+]C[C@H](c1ccccc1)N(C)CCS(C)(=O)=O ZINC000094300923 193358295 /nfs/dbraw/zinc/35/82/95/193358295.db2.gz WQBYPOQBNIPMBM-MRXNPFEDSA-N 1 0 312.479 1.950 10 0 DDAERO CN(CCS(C)(=O)=O)c1c(C(N)=S)c[nH+]c2ccccc21 ZINC000094301774 193358489 /nfs/dbraw/zinc/35/84/89/193358489.db2.gz URYBLNFTUZWWRR-UHFFFAOYSA-N 1 0 323.443 1.350 10 0 DDAERO NC(=O)c1ccc(C(F)(F)F)nc1N[C@@H]1CCCC[NH2+]C1 ZINC000094337473 193360781 /nfs/dbraw/zinc/36/07/81/193360781.db2.gz FWCLWPJDPLTVJT-MRVPVSSYSA-N 1 0 302.300 1.753 10 0 DDAERO NC(=O)c1ccc(C(F)(F)F)nc1NC1(C[NH3+])CCCC1 ZINC000094337471 193361437 /nfs/dbraw/zinc/36/14/37/193361437.db2.gz MPLMVHOXGUXJTF-UHFFFAOYSA-N 1 0 302.300 1.883 10 0 DDAERO Cc1cc(N)c(C)c(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000094358385 193364037 /nfs/dbraw/zinc/36/40/37/193364037.db2.gz AIEZOKNMXJGTCO-CYBMUJFWSA-N 1 0 309.435 1.354 10 0 DDAERO Cc1c(OC[C@H]2CCCC[N@H+]2C)cc(N)cc1S(N)(=O)=O ZINC000094361171 193365856 /nfs/dbraw/zinc/36/58/56/193365856.db2.gz YPJLRTTULHPWHT-GFCCVEGCSA-N 1 0 313.423 1.088 10 0 DDAERO [NH3+][C@@H]1CCC2(C[C@H]1S(=O)(=O)c1cccc(F)c1)OCCO2 ZINC000094624826 193385461 /nfs/dbraw/zinc/38/54/61/193385461.db2.gz HLRYSAVHUXUMIS-CHWSQXEVSA-N 1 0 315.366 1.222 10 0 DDAERO C[C@@H]1CCC[C@](O)(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000094636186 193386468 /nfs/dbraw/zinc/38/64/68/193386468.db2.gz ZQTAKTWROZYMRY-APIJFGDWSA-N 1 0 303.468 1.873 10 0 DDAERO CC[NH+](CC)CCNS(=O)(=O)c1cc(N)c(C)cc1Cl ZINC000094636471 193387294 /nfs/dbraw/zinc/38/72/94/193387294.db2.gz HKIXYSIYKVDMRV-UHFFFAOYSA-N 1 0 319.858 1.851 10 0 DDAERO COc1ccc(C[NH2+]CCCS(N)(=O)=O)c2ccccc12 ZINC000094692388 193391742 /nfs/dbraw/zinc/39/17/42/193391742.db2.gz IPWFOFWJTYTLHY-UHFFFAOYSA-N 1 0 308.403 1.617 10 0 DDAERO O=S1(=O)CC[C@@H](C[NH2+][C@H]2CCOC3(CCSCC3)C2)C1 ZINC000094368779 193366410 /nfs/dbraw/zinc/36/64/10/193366410.db2.gz LRBZVTGCVYZWJH-STQMWFEESA-N 1 0 319.492 1.456 10 0 DDAERO CC1(C)CCSC[C@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000094482033 193372583 /nfs/dbraw/zinc/37/25/83/193372583.db2.gz OQEOWTUCDVHFJF-GFCCVEGCSA-N 1 0 306.497 1.532 10 0 DDAERO COc1cc(C)c(N)cc1S(=O)(=O)NCC(C)(C)[NH+](C)C ZINC000094512346 193376704 /nfs/dbraw/zinc/37/67/04/193376704.db2.gz IDPBJIOAFQQXSF-UHFFFAOYSA-N 1 0 315.439 1.204 10 0 DDAERO C[C@H]1C[C@@H]([NH3+])CN(C(=O)c2ccc(Br)cc2O)C1 ZINC000094549401 193378911 /nfs/dbraw/zinc/37/89/11/193378911.db2.gz ZDTONOPAKJJTRC-WCBMZHEXSA-N 1 0 313.195 1.964 10 0 DDAERO Brc1cccn2nc(NCC[NH+]3CCCC3)nc12 ZINC000094605533 193383657 /nfs/dbraw/zinc/38/36/57/193383657.db2.gz QFLUVBHEXOOIDT-UHFFFAOYSA-N 1 0 310.199 2.000 10 0 DDAERO CCN(c1nc2ccc(Br)cn2n1)[C@@H]1CC[NH2+]C1 ZINC000094608102 193384377 /nfs/dbraw/zinc/38/43/77/193384377.db2.gz ISXSSIITMPRLAD-SNVBAGLBSA-N 1 0 310.199 1.680 10 0 DDAERO C[C@@](O)(C[NH3+])Cc1nc(-c2cncc(Br)c2)no1 ZINC000094822984 193401714 /nfs/dbraw/zinc/40/17/14/193401714.db2.gz ROFCKSKNIZXTDB-NSHDSACASA-N 1 0 313.155 1.146 10 0 DDAERO C[C@@H]([NH2+][C@H](CO)c1ccccc1)C(=O)NC(=O)NC(C)(C)C ZINC000182928420 296159712 /nfs/dbraw/zinc/15/97/12/296159712.db2.gz ZXLGFJNTIHPGCT-DGCLKSJQSA-N 1 0 307.394 1.322 10 0 DDAERO Cn1c2ccccc2nc1C[C@@H]([NH3+])C[C@H]1CCS(=O)(=O)C1 ZINC000097303341 193706198 /nfs/dbraw/zinc/70/61/98/193706198.db2.gz OQMVJLOHCTUPEK-NEPJUHHUSA-N 1 0 307.419 1.268 10 0 DDAERO C[C@@H](CN1CC[NH+](C)CC1)OC(=O)c1ccc2c(c1)OCO2 ZINC000019721919 182138550 /nfs/dbraw/zinc/13/85/50/182138550.db2.gz UDTGCMBLLDYHQC-LBPRGKRZSA-N 1 0 306.362 1.208 10 0 DDAERO OCc1ccc(CN2CCC[C@@H]([NH+]3CCC(CO)CC3)C2)o1 ZINC000020255967 182200319 /nfs/dbraw/zinc/20/03/19/182200319.db2.gz RBMPKOCDJWULGA-OAHLLOKOSA-N 1 0 308.422 1.441 10 0 DDAERO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H](C)C(C)C)ncn1 ZINC000173329312 248334403 /nfs/dbraw/zinc/33/44/03/248334403.db2.gz AHHQSLIZZACTRO-CHWSQXEVSA-N 1 0 320.441 1.831 10 0 DDAERO C[C@@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000333596407 249035123 /nfs/dbraw/zinc/03/51/23/249035123.db2.gz BNSRZFHBSFOORS-BVUBDWEXSA-N 1 0 303.406 1.690 10 0 DDAERO O=C([C@@H]1CCCN1Cc1ccccc1Cl)N1CC[NH2+]CC1 ZINC000040508037 183085283 /nfs/dbraw/zinc/08/52/83/183085283.db2.gz CGAZLBHNLMNWSV-HNNXBMFYSA-N 1 0 307.825 1.736 10 0 DDAERO CNC(=O)c1cc(NC(=O)[C@@H]2C[C@H](OC)C[NH2+]2)ccc1Cl ZINC000040634312 183112758 /nfs/dbraw/zinc/11/27/58/183112758.db2.gz HUKSAOBWJXIDKN-CABZTGNLSA-N 1 0 311.769 1.015 10 0 DDAERO CN(C)C(=O)c1ccc(CCC(=O)NCC(C)(C)[NH+](C)C)cc1 ZINC000040654724 183114116 /nfs/dbraw/zinc/11/41/16/183114116.db2.gz IKZZDIKTNKZUNK-UHFFFAOYSA-N 1 0 319.449 1.777 10 0 DDAERO Cc1c(N)cccc1S(=O)(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040621104 183110053 /nfs/dbraw/zinc/11/00/53/183110053.db2.gz WTIIPBCZPXETCE-CYBMUJFWSA-N 1 0 311.451 1.586 10 0 DDAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccc(Br)cc2F)C1 ZINC000040630122 183110503 /nfs/dbraw/zinc/11/05/03/183110503.db2.gz ZEUABZPTGAVWPM-KWQFWETISA-N 1 0 317.158 1.904 10 0 DDAERO CN(c1ncnc(N2CCCCCC2)c1N)C1CC[NH+](C)CC1 ZINC000040725684 183124463 /nfs/dbraw/zinc/12/44/63/183124463.db2.gz HYTFKAONJLPDIY-UHFFFAOYSA-N 1 0 318.469 1.970 10 0 DDAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCc2sccc2C1 ZINC000040750185 183128545 /nfs/dbraw/zinc/12/85/45/183128545.db2.gz GQEJJLLEUOUGIK-AGUYFDCRSA-N 1 0 305.447 1.587 10 0 DDAERO O=C1c2ccccc2C(=O)N1CCC[N@H+]1CC[C@H](CCO)C1 ZINC000336861068 249269664 /nfs/dbraw/zinc/26/96/64/249269664.db2.gz XDHZGCSRQJNOQC-CYBMUJFWSA-N 1 0 302.374 1.377 10 0 DDAERO C[C@@H]([NH3+])c1ccc(S(=O)(=O)N2C[C@@H](C)OC(C)(C)C2)cc1 ZINC000041681726 183216176 /nfs/dbraw/zinc/21/61/76/183216176.db2.gz DUUVEOCXSJLBOM-VXGBXAGGSA-N 1 0 312.435 1.894 10 0 DDAERO CCOC(=O)CCNS(=O)(=O)c1cccc([C@H](C)[NH2+]C)c1 ZINC000041681735 183216261 /nfs/dbraw/zinc/21/62/61/183216261.db2.gz ZZGJVCSBKZEVNK-NSHDSACASA-N 1 0 314.407 1.199 10 0 DDAERO CCOCCOC[C@@H](O)C[NH2+]CCc1ccc(Cl)cc1 ZINC000042258317 183247502 /nfs/dbraw/zinc/24/75/02/183247502.db2.gz DVXXKCYYJYTQDI-HNNXBMFYSA-N 1 0 301.814 1.886 10 0 DDAERO CCO[C@H]1CCCN(S(=O)(=O)c2cccc([C@@H](C)[NH3+])c2)C1 ZINC000042425643 183268467 /nfs/dbraw/zinc/26/84/67/183268467.db2.gz DZHNKVRHZKFZMO-OCCSQVGLSA-N 1 0 312.435 1.896 10 0 DDAERO O=S(=O)(NC1[C@H]2C[NH2+]C[C@@H]12)c1sccc1Br ZINC000042524549 183280108 /nfs/dbraw/zinc/28/01/08/183280108.db2.gz NBOHUSNFDNPPMP-OFWQXNEASA-N 1 0 323.237 1.007 10 0 DDAERO C[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(Br)c[nH]1 ZINC000042371347 183260623 /nfs/dbraw/zinc/26/06/23/183260623.db2.gz OUQJOXKVUTUPFV-VIFPVBQESA-N 1 0 300.200 1.991 10 0 DDAERO CC(C)[C@H](CNC(=O)Cc1cccs1)[NH+]1CCN(C)CC1 ZINC000042582217 183287067 /nfs/dbraw/zinc/28/70/67/183287067.db2.gz WBYNXNZGICATSG-HNNXBMFYSA-N 1 0 309.479 1.679 10 0 DDAERO C[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000042945496 183319938 /nfs/dbraw/zinc/31/99/38/183319938.db2.gz GGQGFTTZLDIRHB-ZLKJLUDKSA-N 1 0 316.854 1.847 10 0 DDAERO COC[C@@H](O)CN(C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042955298 183321961 /nfs/dbraw/zinc/32/19/61/183321961.db2.gz TUTLTJIRXBYUSE-STQMWFEESA-N 1 0 317.227 1.388 10 0 DDAERO CC(C)N(CC(N)=O)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042955127 183322302 /nfs/dbraw/zinc/32/23/02/183322302.db2.gz UZHGXUOADCFRTO-GFCCVEGCSA-N 1 0 314.227 1.645 10 0 DDAERO COc1ccc([C@@H]([C@H](C)[NH3+])N(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000042961286 183323394 /nfs/dbraw/zinc/32/33/94/183323394.db2.gz HSDYOEKVDKPDEY-NJZAAPMLSA-N 1 0 312.435 1.202 10 0 DDAERO COCCNC(=O)CN(C)[C@H](c1cccc(Cl)c1)[C@@H](C)[NH3+] ZINC000043015951 183327765 /nfs/dbraw/zinc/32/77/65/183327765.db2.gz LAXHIFCQHRGVDT-ABAIWWIYSA-N 1 0 313.829 1.423 10 0 DDAERO COc1cccc([C@@H](Sc2nc(N)cc(N)n2)[C@H](C)[NH3+])c1 ZINC000043033066 183331336 /nfs/dbraw/zinc/33/13/36/183331336.db2.gz LBBNONGJUYGETB-SDBXPKJASA-N 1 0 305.407 1.830 10 0 DDAERO C[C@H]([NH3+])[C@H](c1ccccc1F)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043044132 183331853 /nfs/dbraw/zinc/33/18/53/183331853.db2.gz SLZCDBKWNRABLL-MISXGVKJSA-N 1 0 300.399 1.333 10 0 DDAERO CCN([C@H](C)COC)S(=O)(=O)c1ccc(C[NH2+]C)cc1 ZINC000042782376 183309241 /nfs/dbraw/zinc/30/92/41/183309241.db2.gz JTUMIOUIWPMSIZ-GFCCVEGCSA-N 1 0 300.424 1.452 10 0 DDAERO O=S(=O)(C[C@H]1CCCC[NH2+]1)N(CC(F)(F)F)C1CC1 ZINC000042782465 183309248 /nfs/dbraw/zinc/30/92/48/183309248.db2.gz JZZBEPQRWOMMGQ-SECBINFHSA-N 1 0 300.346 1.485 10 0 DDAERO C[C@H]([NH3+])[C@H](Oc1cccc(S(C)(=O)=O)c1)c1ccccn1 ZINC000043343873 183356119 /nfs/dbraw/zinc/35/61/19/183356119.db2.gz YQSCIQFESPQZBX-NHYWBVRUSA-N 1 0 306.387 1.952 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)N2CCO[C@H]3CCC[C@@H]32)s1 ZINC000043428256 183361785 /nfs/dbraw/zinc/36/17/85/183361785.db2.gz CVCICLZVGQGGSB-QWRGUYRKSA-N 1 0 302.421 1.149 10 0 DDAERO CCC[NH2+]Cc1ccc(S(=O)(=O)NC[C@@H](C)COC)cc1 ZINC000045648209 183521162 /nfs/dbraw/zinc/52/11/62/183521162.db2.gz DJFRWCNEKVLMGM-CYBMUJFWSA-N 1 0 314.451 1.747 10 0 DDAERO CC(C)CN(C(=O)CN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1)C1CC1 ZINC000105824208 194136967 /nfs/dbraw/zinc/13/69/67/194136967.db2.gz DRSSDONISILACB-LSDHHAIUSA-N 1 0 311.470 1.020 10 0 DDAERO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105799523 194132142 /nfs/dbraw/zinc/13/21/42/194132142.db2.gz VKOHBKYHDKOCEI-CQSZACIVSA-N 1 0 305.426 1.246 10 0 DDAERO COCC[N@@H+]1CCN(CCC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC000105833814 194142998 /nfs/dbraw/zinc/14/29/98/194142998.db2.gz CSMJPZMSVCSYJL-CQSZACIVSA-N 1 0 323.412 1.807 10 0 DDAERO CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105884218 194157315 /nfs/dbraw/zinc/15/73/15/194157315.db2.gz XSDVWXRXCCWBEB-CVEARBPZSA-N 1 0 321.469 1.883 10 0 DDAERO C[C@H](C(=O)NC1CCC(C)CC1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105925362 194171620 /nfs/dbraw/zinc/17/16/20/194171620.db2.gz WTXAZBDTHJVHKJ-GYTBAZASSA-N 1 0 311.470 1.332 10 0 DDAERO CCn1cnnc1C1CC[NH+](C[C@@H](O)COCC(C)C)CC1 ZINC000105904697 194166584 /nfs/dbraw/zinc/16/65/84/194166584.db2.gz QYGHECLFKGCLDL-OAHLLOKOSA-N 1 0 310.442 1.511 10 0 DDAERO C[C@H](C(=O)N1CCCCC1)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105910093 194166711 /nfs/dbraw/zinc/16/67/11/194166711.db2.gz RJKLFDSICZXRJZ-CQSZACIVSA-N 1 0 317.437 1.754 10 0 DDAERO CC(C)n1ncc2cc(CN3CCO[C@H](C[NH+](C)C)C3)cnc21 ZINC000105924432 194170950 /nfs/dbraw/zinc/17/09/50/194170950.db2.gz CMPNTXRSSMRBJN-MRXNPFEDSA-N 1 0 317.437 1.775 10 0 DDAERO C[NH+](C)C[C@H]1CN(CC(=O)N2CCCc3ccccc32)CCO1 ZINC000105927658 194172476 /nfs/dbraw/zinc/17/24/76/194172476.db2.gz SHTYOHFFUOFCBM-INIZCTEOSA-N 1 0 317.433 1.228 10 0 DDAERO COCC[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000105996395 194177524 /nfs/dbraw/zinc/17/75/24/194177524.db2.gz HYSBZASKPXSNQG-UHFFFAOYSA-N 1 0 323.137 1.902 10 0 DDAERO C[C@@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)Cn1cccn1 ZINC000106458784 194217585 /nfs/dbraw/zinc/21/75/85/194217585.db2.gz WDLQMKISOCDLBC-RDJZCZTQSA-N 1 0 314.433 1.808 10 0 DDAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N(C)[C@@H](C)COC)cc1 ZINC000049039184 183704167 /nfs/dbraw/zinc/70/41/67/183704167.db2.gz UXYKJQDLUJHIFL-ZDUSSCGKSA-N 1 0 314.451 1.842 10 0 DDAERO COC[C@@H](C)N(C)S(=O)(=O)c1ccc(C[NH2+]C(C)C)cc1 ZINC000049039194 183704320 /nfs/dbraw/zinc/70/43/20/183704320.db2.gz JKWPTIKFEWENQX-CYBMUJFWSA-N 1 0 314.451 1.840 10 0 DDAERO CC(C)[NH2+]CCCS(=O)(=O)NCCc1ccc(O)cc1 ZINC000049644402 183750976 /nfs/dbraw/zinc/75/09/76/183750976.db2.gz QDYTWUNWHLSHHB-UHFFFAOYSA-N 1 0 300.424 1.242 10 0 DDAERO C[C@H]([NH3+])C1CCN(S(=O)(=O)N(C)Cc2ccccc2)CC1 ZINC000110648193 194345784 /nfs/dbraw/zinc/34/57/84/194345784.db2.gz ZDPGEUWVOKVGLE-ZDUSSCGKSA-N 1 0 311.451 1.422 10 0 DDAERO Cc1cnc2c(cccc2S(=O)(=O)NCC[NH2+]C(C)C)c1 ZINC000054266842 183932645 /nfs/dbraw/zinc/93/26/45/183932645.db2.gz QAMQGTYEWSQKSX-UHFFFAOYSA-N 1 0 307.419 1.820 10 0 DDAERO COc1ccc(NC(=O)CN(C)[C@H]2CCC[NH2+]C2)cc1Cl ZINC000110929437 194371024 /nfs/dbraw/zinc/37/10/24/194371024.db2.gz AVVOBWXOPZJYSK-LBPRGKRZSA-N 1 0 311.813 1.971 10 0 DDAERO CCCN([C@H]1CCC[NH2+]C1)S(=O)(=O)Cc1cc(C)on1 ZINC000110942406 194372119 /nfs/dbraw/zinc/37/21/19/194372119.db2.gz PPIKJTMHPDOBRS-ZDUSSCGKSA-N 1 0 301.412 1.277 10 0 DDAERO CCN(CC(=O)N1CCc2sccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000110945058 194372990 /nfs/dbraw/zinc/37/29/90/194372990.db2.gz TZSLBVAGOYBGOU-CQSZACIVSA-N 1 0 307.463 1.707 10 0 DDAERO CC(C)[N@@H+](CC(N)=O)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000057951139 184064070 /nfs/dbraw/zinc/06/40/70/184064070.db2.gz AZLKQYBOOYDYCH-AWEZNQCLSA-N 1 0 314.813 1.413 10 0 DDAERO C[NH2+][C@@H](Cc1ccc(Br)s1)CS(C)(=O)=O ZINC000060705612 184154341 /nfs/dbraw/zinc/15/43/41/184154341.db2.gz FIBAIVOPCIAZMF-ZETCQYMHSA-N 1 0 312.254 1.686 10 0 DDAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)NCCc1cc(F)cc(F)c1 ZINC000060719405 184155106 /nfs/dbraw/zinc/15/51/06/184155106.db2.gz JYQBDCWXOOPNBQ-LBPRGKRZSA-N 1 0 318.389 1.426 10 0 DDAERO C[NH2+]C(C)(C)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000061300747 184167784 /nfs/dbraw/zinc/16/77/84/184167784.db2.gz MHYYDUXCMNGZPQ-UHFFFAOYSA-N 1 0 304.799 1.680 10 0 DDAERO C[C@H](C[NH+]1CCCC1)Nc1nc(Cl)nc(-n2cccn2)n1 ZINC000061539154 184172875 /nfs/dbraw/zinc/17/28/75/184172875.db2.gz OHGHYKHXEWKEHN-SNVBAGLBSA-N 1 0 307.789 1.607 10 0 DDAERO CCOC(=O)COC[C@@H]([NH3+])c1cc(OC)c(OC)cc1F ZINC000061561803 184174596 /nfs/dbraw/zinc/17/45/96/184174596.db2.gz IYGHOUKQMJNMQV-LLVKDONJSA-N 1 0 301.314 1.422 10 0 DDAERO O=S(=O)(c1cc(F)ccc1NC1[C@H]2C[NH2+]C[C@@H]12)C(F)(F)F ZINC000061630244 184179813 /nfs/dbraw/zinc/17/98/13/184179813.db2.gz DAHATERNQVGFMI-OQJHAAMPSA-N 1 0 324.299 1.749 10 0 DDAERO CC[C@@H](Oc1c(Br)cccc1C[C@@H](C)[NH3+])C(N)=O ZINC000061678460 184181981 /nfs/dbraw/zinc/18/19/81/184181981.db2.gz XKNWZCQHZFPLAS-LDYMZIIASA-N 1 0 315.211 1.982 10 0 DDAERO C[C@@H]([NH3+])[C@@H](c1ccncc1)N1CCN(CC(F)(F)F)CC1 ZINC000061940868 184197335 /nfs/dbraw/zinc/19/73/35/184197335.db2.gz VZIJNHDVTIICLV-YPMHNXCESA-N 1 0 302.344 1.650 10 0 DDAERO C[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)C[C@H]1CCC[NH2+]1 ZINC000062037925 184203005 /nfs/dbraw/zinc/20/30/05/184203005.db2.gz XGNMJXDFQHHFSV-SMDDNHRTSA-N 1 0 300.399 1.428 10 0 DDAERO CC(C)(C)CC(=O)N1CCN(C(=O)CC[NH+]2CCCC2)CC1 ZINC000062127487 184207278 /nfs/dbraw/zinc/20/72/78/184207278.db2.gz CYCOMKNFXHRCFJ-UHFFFAOYSA-N 1 0 309.454 1.579 10 0 DDAERO CNS(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCCCC1 ZINC000062356677 184232302 /nfs/dbraw/zinc/23/23/02/184232302.db2.gz HAZYYFJWLHMOAX-GFCCVEGCSA-N 1 0 301.412 1.251 10 0 DDAERO CC(C)(C)[NH2+]Cc1ccc(O[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000062728780 184250612 /nfs/dbraw/zinc/25/06/12/184250612.db2.gz MQZVESLRNLTSRD-ZIAGYGMSSA-N 1 0 313.419 1.111 10 0 DDAERO COCC[NH2+]Cc1c(-n2nc(C)cc2C)nc2sccn12 ZINC000062738591 184252120 /nfs/dbraw/zinc/25/21/20/184252120.db2.gz ZXTGFSBJNKMPLR-UHFFFAOYSA-N 1 0 305.407 1.934 10 0 DDAERO CN(Cc1cccc(Cl)c1)[C@]1(C[NH3+])CCS(=O)(=O)C1 ZINC000062962536 184262371 /nfs/dbraw/zinc/26/23/71/184262371.db2.gz YNEGIMXEJGEECK-ZDUSSCGKSA-N 1 0 302.827 1.288 10 0 DDAERO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(C)cc(N)c2)C1 ZINC000062975669 184263739 /nfs/dbraw/zinc/26/37/39/184263739.db2.gz IFNVISKRACVVQC-CQSZACIVSA-N 1 0 311.451 1.682 10 0 DDAERO C[C@@H]([NH3+])Cc1cc2c(cc1OCCCS(C)(=O)=O)OCO2 ZINC000063017587 184267292 /nfs/dbraw/zinc/26/72/92/184267292.db2.gz ZHGCJFAQMFPRHO-SNVBAGLBSA-N 1 0 315.391 1.119 10 0 DDAERO Cc1csc(SCc2nc3c(cnn3C)c(NN)[nH+]2)n1 ZINC000063084341 184269827 /nfs/dbraw/zinc/26/98/27/184269827.db2.gz ODKDQPSCOVNJFF-UHFFFAOYSA-N 1 0 307.408 1.706 10 0 DDAERO Cc1nnc(N(C)CC2CC[NH+](C)CC2)c(C(N)=S)c1C ZINC000063124862 184271533 /nfs/dbraw/zinc/27/15/33/184271533.db2.gz IPCDTGQWYZVNAX-UHFFFAOYSA-N 1 0 307.467 1.506 10 0 DDAERO CC(C)[NH2+]C[C@@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 ZINC000063138661 184273243 /nfs/dbraw/zinc/27/32/43/184273243.db2.gz APVLZMQBFQGKIC-HNNXBMFYSA-N 1 0 317.499 1.817 10 0 DDAERO CC(C)[NH2+]C[C@@H]1CCCN(S(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000063156629 184274882 /nfs/dbraw/zinc/27/48/82/184274882.db2.gz PZSWVYCNVXKQER-KBPBESRZSA-N 1 0 304.456 1.205 10 0 DDAERO CCCc1cc(C(=O)N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)ccn1 ZINC000065506202 184356548 /nfs/dbraw/zinc/35/65/48/184356548.db2.gz MRDCVOWUHYYEJF-HOTGVXAUSA-N 1 0 303.406 1.315 10 0 DDAERO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCS(=O)(=O)C1)CCO2 ZINC000069142404 184501329 /nfs/dbraw/zinc/50/13/29/184501329.db2.gz WMANVKUFKXCEGA-SMDDNHRTSA-N 1 0 311.403 1.686 10 0 DDAERO COc1ccccc1CCC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116796513 194771587 /nfs/dbraw/zinc/77/15/87/194771587.db2.gz CKBJAVOMHLYTJH-OAHLLOKOSA-N 1 0 306.406 1.417 10 0 DDAERO COCCn1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)n1 ZINC000119630569 195006210 /nfs/dbraw/zinc/00/62/10/195006210.db2.gz APEAYOGVVIZKHC-CQSZACIVSA-N 1 0 323.441 1.771 10 0 DDAERO CCC[C@H](C(=O)N1CCCN(Cc2cscn2)CC1)[NH+](C)C ZINC000155462264 197056881 /nfs/dbraw/zinc/05/68/81/197056881.db2.gz QJHQYQXJLYDEOV-OAHLLOKOSA-N 1 0 324.494 1.908 10 0 DDAERO Cc1cc(F)cc(C)c1S(=O)(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000229327986 291915072 /nfs/dbraw/zinc/91/50/72/291915072.db2.gz HMDPOZOUIPBADP-WCQYABFASA-N 1 0 300.399 1.848 10 0 DDAERO CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000120506508 195180865 /nfs/dbraw/zinc/18/08/65/195180865.db2.gz BWZDVRJSIGVEKC-AWEZNQCLSA-N 1 0 314.455 1.203 10 0 DDAERO Cc1cc(CN2C[C@@H]3OC[C@@H](C[NH+]4CCCCC4)[C@@H]3C2)n(C)n1 ZINC000248064817 257110505 /nfs/dbraw/zinc/11/05/05/257110505.db2.gz VTCIBNUKHOFSCA-NJAFHUGGSA-N 1 0 318.465 1.661 10 0 DDAERO O=C(C[C@@H]1OC[C@@H]2C[N@@H+](C3CCC3)CC[C@H]12)N1CCCCO1 ZINC000247758464 257118560 /nfs/dbraw/zinc/11/85/60/257118560.db2.gz FVFJJFBQOZDFGK-BPUTZDHNSA-N 1 0 308.422 1.820 10 0 DDAERO CCOc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@H]4[C@@H](C2)[N@@H+](C)CC[C@]314 ZINC000253636120 257104445 /nfs/dbraw/zinc/10/44/45/257104445.db2.gz OGDVEMNWJVYAJL-YLWMSMLNSA-N 1 0 313.397 1.891 10 0 DDAERO Cn1ccc(CN2CCC[C@@]3(C[C@H](C[N@H+](C)C4CC4)CO3)C2)n1 ZINC000096075662 257135099 /nfs/dbraw/zinc/13/50/99/257135099.db2.gz POPUYVGPGVCNDD-CRAIPNDOSA-N 1 0 318.465 1.885 10 0 DDAERO CN1C(=O)C[C@H](C(=O)NCC[NH+](C)C)[C@H]1c1ccc(F)cc1 ZINC000121832929 195358290 /nfs/dbraw/zinc/35/82/90/195358290.db2.gz SJQHELYTWNMTLS-DZGCQCFKSA-N 1 0 307.369 1.023 10 0 DDAERO CCC[C@H](C(=O)N1CCC(N2CCCNC2=O)CC1)[NH+](C)C ZINC000164114327 132130297 /nfs/dbraw/zinc/13/02/97/132130297.db2.gz VCCACAUKWQLIHP-CQSZACIVSA-N 1 0 310.442 1.123 10 0 DDAERO Cc1ccc(S(=O)(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])cc1F ZINC000235634303 292177904 /nfs/dbraw/zinc/17/79/04/292177904.db2.gz LSJGZLBTGDRFHP-CMPLNLGQSA-N 1 0 300.399 1.882 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)C12CCOCC2 ZINC000186292794 286287427 /nfs/dbraw/zinc/28/74/27/286287427.db2.gz ZSHOCIRPSIOIIS-BFHYXJOUSA-N 1 0 312.454 1.853 10 0 DDAERO COCc1cc(N2CC[NH2+]CC2)nc(-c2cccc(F)c2)n1 ZINC000070451620 406816245 /nfs/dbraw/zinc/81/62/45/406816245.db2.gz BMGWRHRKJXMCGD-UHFFFAOYSA-N 1 0 302.353 1.839 10 0 DDAERO [NH3+][C@@H]1CCCN(c2ncccc2S(=O)(=O)N2CCCCC2)C1 ZINC000070458387 406817093 /nfs/dbraw/zinc/81/70/93/406817093.db2.gz 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ZINC000089453370 407134966 /nfs/dbraw/zinc/13/49/66/407134966.db2.gz HYVQZVLJEAEQFR-WOPDTQHZSA-N 1 0 310.419 1.844 10 0 DDAERO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732113 407145170 /nfs/dbraw/zinc/14/51/70/407145170.db2.gz GKQDMWPUDFIYAB-LSDHHAIUSA-N 1 0 319.453 1.682 10 0 DDAERO O=C(C[NH+]1CCC(Cn2cccn2)CC1)N1CCCCCC1 ZINC000090473178 407168428 /nfs/dbraw/zinc/16/84/28/407168428.db2.gz VAUQREJXDIPNMH-UHFFFAOYSA-N 1 0 304.438 1.998 10 0 DDAERO CCn1ccc2ccn(CCCN3CC[NH+](C)CC3)c(=O)c21 ZINC000065224705 407240127 /nfs/dbraw/zinc/24/01/27/407240127.db2.gz VNZIUGUMGJXPDJ-UHFFFAOYSA-N 1 0 302.422 1.460 10 0 DDAERO CCCC(=O)N[C@H]1CCCN(C(=O)NCC[N@H+](CC)C2CC2)C1 ZINC000102065194 407319816 /nfs/dbraw/zinc/31/98/16/407319816.db2.gz WSULBXCBJSGLFN-AWEZNQCLSA-N 1 0 324.469 1.561 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CNC(=O)OC(C)(C)C ZINC000067235490 407269675 /nfs/dbraw/zinc/26/96/75/407269675.db2.gz PRRYDMOADNGPDJ-GFCCVEGCSA-N 1 0 301.431 1.604 10 0 DDAERO 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C[NH+](C)C[C@H]1CN(C(=O)c2ccccc2OC(F)F)CCO1 ZINC000116784120 407776854 /nfs/dbraw/zinc/77/68/54/407776854.db2.gz UXQSJXBCYHNQJM-NSHDSACASA-N 1 0 314.332 1.691 10 0 DDAERO Cc1noc2nc(C)cc(C(=O)N3CCO[C@H](C[NH+](C)C)C3)c12 ZINC000116786046 407777047 /nfs/dbraw/zinc/77/70/47/407777047.db2.gz XUIZGOVEXLOWQX-GFCCVEGCSA-N 1 0 318.377 1.242 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)C2(c3cccc(F)c3)CC2)CCO1 ZINC000116785157 407777432 /nfs/dbraw/zinc/77/74/32/407777432.db2.gz ZYCMYCQIHGBEEK-OAHLLOKOSA-N 1 0 306.381 1.646 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)Cc2noc3ccccc32)CCO1 ZINC000116797958 407779158 /nfs/dbraw/zinc/77/91/58/407779158.db2.gz FBWMNJGJARTKKS-LBPRGKRZSA-N 1 0 303.362 1.159 10 0 DDAERO CCOCC[N@@H+]1CCN(c2ccc(C(=O)OC)nn2)C[C@H]1CC ZINC000116871385 407788546 /nfs/dbraw/zinc/78/85/46/407788546.db2.gz BEZBBMKWKBOGDQ-CYBMUJFWSA-N 1 0 322.409 1.200 10 0 DDAERO O=C(NC1CCC2(CC1)OCCO2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171900641 407789450 /nfs/dbraw/zinc/78/94/50/407789450.db2.gz 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407875497 /nfs/dbraw/zinc/87/54/97/407875497.db2.gz SMXFKWGZDPQTQP-ZDUSSCGKSA-N 1 0 304.394 1.232 10 0 DDAERO Cc1cnn(CCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000118077413 407882730 /nfs/dbraw/zinc/88/27/30/407882730.db2.gz WFARXJQFKOLXSW-CQSZACIVSA-N 1 0 309.458 1.857 10 0 DDAERO CCOCC[N@@H+]1CCN([C@@H](CC)C(=O)OCC)C[C@@H]1CC ZINC000173680910 407893163 /nfs/dbraw/zinc/89/31/63/407893163.db2.gz HVYVJWWKIHQWCL-GJZGRUSLSA-N 1 0 300.443 1.761 10 0 DDAERO CC[C@H](C(=O)NC1CC([N@H+](CC)CC(=O)[O-])C1)[NH+](CC)CC ZINC000262710316 407906163 /nfs/dbraw/zinc/90/61/63/407906163.db2.gz LIMUZPMTWLBYCP-JXQTWKCFSA-N 1 0 313.442 1.161 10 0 DDAERO Cc1cc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)ccc1N(C)C ZINC000118801448 407946155 /nfs/dbraw/zinc/94/61/55/407946155.db2.gz RLTYDSZDGKGHHG-OAHLLOKOSA-N 1 0 320.437 1.855 10 0 DDAERO CC(C)c1nnc(CNC(=O)C[C@@H]2CSCC[NH2+]2)s1 ZINC000262825157 407948492 /nfs/dbraw/zinc/94/84/92/407948492.db2.gz UAFWYDHGXAZIDK-SECBINFHSA-N 1 0 300.453 1.373 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(CC(=O)Nc2cccc(OC)c2)CC1 ZINC000118858510 407958774 /nfs/dbraw/zinc/95/87/74/407958774.db2.gz ORNFMRKWPMYGRS-HNNXBMFYSA-N 1 0 321.421 1.022 10 0 DDAERO C[C@@H]1C[C@@H](NC(=O)CCCc2ccc3c(c2)CC(=O)N3)CC[NH2+]1 ZINC000262881767 407960854 /nfs/dbraw/zinc/96/08/54/407960854.db2.gz NLYDCSCNADHFGF-DOMZBBRYSA-N 1 0 315.417 1.761 10 0 DDAERO C[C@H]1C[C@@H]1NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000181176948 407962511 /nfs/dbraw/zinc/96/25/11/407962511.db2.gz XSTRDHGDZAIXOP-HOCLYGCPSA-N 1 0 309.454 1.929 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)OC[C@H]1CCCCO1 ZINC000245426987 407975776 /nfs/dbraw/zinc/97/57/76/407975776.db2.gz GYGRYUPVOGYPCR-ARFHVFGLSA-N 1 0 312.454 1.903 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCN1CCOC1=O ZINC000174687844 407979167 /nfs/dbraw/zinc/97/91/67/407979167.db2.gz HTDSWMMHDINWMW-UONOGXRCSA-N 1 0 324.425 1.097 10 0 DDAERO COCc1nc(C)c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)s1 ZINC000134727613 407928730 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CC[C@@H]1CN(Cc2ccccc2NC(C)=O)CC[N@@H+]1C[C@H](C)O ZINC000245766288 408063726 /nfs/dbraw/zinc/06/37/26/408063726.db2.gz QWYVSSALMDLKBX-WMLDXEAASA-N 1 0 319.449 1.922 10 0 DDAERO CC[C@H]1CN(Cc2cnn3ccccc23)CC[N@@H+]1C[C@H](C)O ZINC000245771595 408064881 /nfs/dbraw/zinc/06/48/81/408064881.db2.gz RXQOATWUPBEAIL-HOCLYGCPSA-N 1 0 302.422 1.611 10 0 DDAERO Cc1nn(C)c2sc(-c3nc([C@H]4C[NH2+]CCN4C)no3)cc12 ZINC000263258826 408079655 /nfs/dbraw/zinc/07/96/55/408079655.db2.gz QSDNQNYIYOBGFZ-SNVBAGLBSA-N 1 0 318.406 1.569 10 0 DDAERO COC(C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1)OC ZINC000119489321 408080746 /nfs/dbraw/zinc/08/07/46/408080746.db2.gz PUECSLOXOOIPPW-AVGNSLFASA-N 1 0 314.426 1.840 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CSc1nncs1 ZINC000119498124 408082961 /nfs/dbraw/zinc/08/29/61/408082961.db2.gz OYXZUPGODQKOGV-LLVKDONJSA-N 1 0 314.480 1.867 10 0 DDAERO CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1nc2ccsc2s1 ZINC000263269725 408084725 /nfs/dbraw/zinc/08/47/25/408084725.db2.gz WOVBUNXLHLNCQG-VIFPVBQESA-N 1 0 312.420 1.396 10 0 DDAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1ccc(Br)c(F)c1 ZINC000263268770 408084867 /nfs/dbraw/zinc/08/48/67/408084867.db2.gz RWENQOPJVZPDSY-JOYOIKCWSA-N 1 0 303.175 1.258 10 0 DDAERO C[C@H](Oc1cccc(F)c1)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263270663 408085415 /nfs/dbraw/zinc/08/54/15/408085415.db2.gz SDGQKOGXKBQMBN-GWCFXTLKSA-N 1 0 306.341 1.925 10 0 DDAERO CCOc1cccc(CNC[C@@H]2C[NH2+]C[C@@H]2O)c1OC(F)F ZINC000263319082 408104295 /nfs/dbraw/zinc/10/42/95/408104295.db2.gz ZXKSVZCMYOVZSV-NEPJUHHUSA-N 1 0 316.348 1.357 10 0 DDAERO CCCCOCCCNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117024146 161761310 /nfs/dbraw/zinc/76/13/10/161761310.db2.gz UCAGVYHSGITMHI-CQSZACIVSA-N 1 0 301.431 1.165 10 0 DDAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1c(Cl)cccc1N1CCCC1 ZINC000263191633 408054525 /nfs/dbraw/zinc/05/45/25/408054525.db2.gz HZAJDVVXYMJJAC-BLLLJJGKSA-N 1 0 309.841 1.610 10 0 DDAERO CC[C@@H]1CN(c2cncc(OCC(C)C)n2)CC[N@@H+]1C[C@H](C)O ZINC000246091333 408139282 /nfs/dbraw/zinc/13/92/82/408139282.db2.gz NGAZGFWZWIATKC-LSDHHAIUSA-N 1 0 322.453 1.793 10 0 DDAERO COc1ccc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)c(C)n1 ZINC000120874118 408146612 /nfs/dbraw/zinc/14/66/12/408146612.db2.gz JPWSCMYSQXAMQA-GFCCVEGCSA-N 1 0 308.382 1.193 10 0 DDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2ccc(F)cc2)C1 ZINC000246156508 408157914 /nfs/dbraw/zinc/15/79/14/408157914.db2.gz LJOJOKQYCKKWCP-SMDDNHRTSA-N 1 0 300.399 1.833 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CCO1 ZINC000121221130 408163791 /nfs/dbraw/zinc/16/37/91/408163791.db2.gz ZRFKWIFJRCPNIL-MRVWCRGKSA-N 1 0 324.371 1.857 10 0 DDAERO C[C@@H]1C[N@H+](C[C@@](C)(O)c2ccccc2)C[C@H]1N1CCOCC1 ZINC000246391027 408242752 /nfs/dbraw/zinc/24/27/52/408242752.db2.gz IUZKSIURVAZIPR-KBAYOESNSA-N 1 0 304.434 1.547 10 0 DDAERO CCCc1cnc(NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)s1 ZINC000190448523 408247982 /nfs/dbraw/zinc/24/79/82/408247982.db2.gz JZNCYRFWHGDBSN-SNVBAGLBSA-N 1 0 310.423 1.197 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(F)cc2)C1 ZINC000246454606 408258630 /nfs/dbraw/zinc/25/86/30/408258630.db2.gz OVVZYKPOCXRPMV-BXUZGUMPSA-N 1 0 307.369 1.609 10 0 DDAERO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000246687022 408318197 /nfs/dbraw/zinc/31/81/97/408318197.db2.gz HYYMKKAZRIUXJF-IRXDYDNUSA-N 1 0 323.481 1.476 10 0 DDAERO COC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000183094901 408323990 /nfs/dbraw/zinc/32/39/90/408323990.db2.gz OQVHSODWCCNZED-FZMZJTMJSA-N 1 0 306.362 1.569 10 0 DDAERO Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246723122 408325304 /nfs/dbraw/zinc/32/53/04/408325304.db2.gz GOQMGFWTGBHIQS-CJNGLKHVSA-N 1 0 318.465 1.912 10 0 DDAERO COc1cccc(/C(C)=C/C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000176093539 408286066 /nfs/dbraw/zinc/28/60/66/408286066.db2.gz FGEOXFGGOWUMOU-SHRNQRGKSA-N 1 0 318.417 1.888 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@@H]1CSCCS1 ZINC000151313265 408293579 /nfs/dbraw/zinc/29/35/79/408293579.db2.gz LEYDTLIBRVUQJG-JHJVBQTASA-N 1 0 300.493 1.920 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2Cc2ccc(F)cc2)C1 ZINC000176213627 408311834 /nfs/dbraw/zinc/31/18/34/408311834.db2.gz IJPZQEJVAFGDBY-DLBZAZTESA-N 1 0 319.424 1.953 10 0 DDAERO COCCN(CC(F)F)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000132235391 162032605 /nfs/dbraw/zinc/03/26/05/162032605.db2.gz ZIHGMKBJIVAJJF-RYUDHWBXSA-N 1 0 307.385 1.638 10 0 DDAERO CC(C)OC(=O)[C@H](C)CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000132231427 162032661 /nfs/dbraw/zinc/03/26/61/162032661.db2.gz XZVPEPLPRBJWQK-MCIONIFRSA-N 1 0 313.442 1.602 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC[C@H](CC(N)=O)C2)C1 ZINC000132306655 162033675 /nfs/dbraw/zinc/03/36/75/162033675.db2.gz ZWFKUTHCBQUELS-MCIONIFRSA-N 1 0 310.442 1.012 10 0 DDAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC000133063189 162051535 /nfs/dbraw/zinc/05/15/35/162051535.db2.gz FVHSJMNHIFVBKT-ZFWWWQNUSA-N 1 0 300.410 1.797 10 0 DDAERO O=C(C[C@@H]1OCCc2ccccc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246775290 408335546 /nfs/dbraw/zinc/33/55/46/408335546.db2.gz LJWVAJIMJIRQEO-RDJZCZTQSA-N 1 0 300.402 1.997 10 0 DDAERO C[C@H]([NH2+]CC(=O)NC(=O)NCc1cccs1)[C@@H]1CCCO1 ZINC000183194121 408350249 /nfs/dbraw/zinc/35/02/49/408350249.db2.gz RZYBFDCRXRLKBM-JQWIXIFHSA-N 1 0 311.407 1.231 10 0 DDAERO CC(C)C(=O)N[C@H]1CCCN(C(=O)CCC2CC[NH2+]CC2)C1 ZINC000155295565 162142278 /nfs/dbraw/zinc/14/22/78/162142278.db2.gz VLWQUFRWBQRVKJ-HNNXBMFYSA-N 1 0 309.454 1.529 10 0 DDAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]C[C@H](O)CN1CCOCC1 ZINC000183208890 408355185 /nfs/dbraw/zinc/35/51/85/408355185.db2.gz LLWSBUHYWXIQEM-WMZOPIPTSA-N 1 0 318.461 1.983 10 0 DDAERO CC(C)COC[C@H](O)C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000171623557 162229206 /nfs/dbraw/zinc/22/92/06/162229206.db2.gz VMWCIFGKISSUQK-HZPDHXFCSA-N 1 0 322.453 1.411 10 0 DDAERO C[C@@H](C(=O)N(C)Cc1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171641179 162231623 /nfs/dbraw/zinc/23/16/23/162231623.db2.gz OAADIWMGOXFQGX-DOTOQJQBSA-N 1 0 301.434 1.814 10 0 DDAERO Cc1ccc(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)n1C ZINC000176450966 408371016 /nfs/dbraw/zinc/37/10/16/408371016.db2.gz QUFUGWKALNSEGZ-AWEZNQCLSA-N 1 0 307.438 1.498 10 0 DDAERO CCOC(=O)N[C@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)C(C)C ZINC000158859982 408366319 /nfs/dbraw/zinc/36/63/19/408366319.db2.gz QCIPNYYOLTZFAA-MJBXVCDLSA-N 1 0 313.442 1.602 10 0 DDAERO O=C(CN1CC[N@@H+]2CCC[C@H]2C1)N[C@H]1CCOc2ccccc21 ZINC000247018677 408386588 /nfs/dbraw/zinc/38/65/88/408386588.db2.gz CORNXRHQGFIQIA-HOCLYGCPSA-N 1 0 315.417 1.406 10 0 DDAERO C[NH+](C)C[C@H]1CN(Cc2ccn(-c3ccc(F)cc3)n2)CCO1 ZINC000173701622 162358158 /nfs/dbraw/zinc/35/81/58/162358158.db2.gz VGVYHXCARRRYJH-KRWDZBQOSA-N 1 0 318.396 1.774 10 0 DDAERO c1csc(-c2noc(CN3CC[C@@H](N4CCOCC4)C3)n2)c1 ZINC000173932761 162377607 /nfs/dbraw/zinc/37/76/07/162377607.db2.gz BYZXMHHGDYQPDU-GFCCVEGCSA-N 1 0 320.418 1.705 10 0 DDAERO O=C(N[C@@H](CCCO)c1ccccc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246954629 408373903 /nfs/dbraw/zinc/37/39/03/408373903.db2.gz FUJVWCVMXFAJSR-IRXDYDNUSA-N 1 0 317.433 1.990 10 0 DDAERO CC[C@@H]1CN(C[C@@H](O)COc2ccccc2)CC[N@@H+]1CCOC ZINC000247047324 408397708 /nfs/dbraw/zinc/39/77/08/408397708.db2.gz FDNTWCSQHMFPNI-IAGOWNOFSA-N 1 0 322.449 1.469 10 0 DDAERO CC[C@@H]1CN(CC(=O)N(C(C)C)C(C)C)CC[N@@H+]1C[C@H](C)O ZINC000247072287 408402881 /nfs/dbraw/zinc/40/28/81/408402881.db2.gz GOYSUYLUABKQOL-JKSUJKDBSA-N 1 0 313.486 1.409 10 0 DDAERO Cc1ccccc1OC[C@H](O)CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000247162656 408417728 /nfs/dbraw/zinc/41/77/28/408417728.db2.gz KLFVBNGECNGCQB-GVDBMIGSSA-N 1 0 304.434 1.903 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000247249749 408438867 /nfs/dbraw/zinc/43/88/67/408438867.db2.gz NNWJEXRRSFVIDQ-PWSUYJOCSA-N 1 0 300.362 1.165 10 0 DDAERO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CNC(=O)C2)[C@H]1c1cccs1 ZINC000247516127 408486564 /nfs/dbraw/zinc/48/65/64/408486564.db2.gz WBYPZKQNCBKWRQ-XUJVJEKNSA-N 1 0 321.446 1.383 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc2c(c1)nnn2C ZINC000176988130 408492099 /nfs/dbraw/zinc/49/20/99/408492099.db2.gz YETLKGLTMOARDX-ZDUSSCGKSA-N 1 0 301.394 1.525 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc([S@](C)=O)cc1 ZINC000176998688 408492513 /nfs/dbraw/zinc/49/25/13/408492513.db2.gz GQRQVGRCCAISAR-QKKBWIMNSA-N 1 0 308.447 1.980 10 0 DDAERO C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@@H]([NH+](C)C)C3)ccc2O1 ZINC000247869147 408513720 /nfs/dbraw/zinc/51/37/20/408513720.db2.gz XGRDPUFAFKKECQ-DGCLKSJQSA-N 1 0 310.419 1.335 10 0 DDAERO c1cn(-c2ccc(C[N@@H+]3CCC[C@H](n4cncn4)C3)cn2)cn1 ZINC000177123019 408525397 /nfs/dbraw/zinc/52/53/97/408525397.db2.gz VJPFXDGPTBGDMG-HNNXBMFYSA-N 1 0 309.377 1.696 10 0 DDAERO COc1ccc(C)cc1NC(=O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247382800 408461515 /nfs/dbraw/zinc/46/15/15/408461515.db2.gz WAXRUKCPCUURJK-AWEZNQCLSA-N 1 0 303.406 1.722 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2ccnc2)nc1 ZINC000247474343 408475946 /nfs/dbraw/zinc/47/59/46/408475946.db2.gz RZSPIKPURFFACL-ZFWWWQNUSA-N 1 0 311.389 1.576 10 0 DDAERO Cc1ccccc1CS(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247465969 408476016 /nfs/dbraw/zinc/47/60/16/408476016.db2.gz RGHZLCYTJLIDRG-GDBMZVCRSA-N 1 0 308.447 1.993 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(c2ncccc2C(=O)OC(C)C)CC1 ZINC000184119232 408551274 /nfs/dbraw/zinc/55/12/74/408551274.db2.gz MNCHUDHXSHFAGT-CQSZACIVSA-N 1 0 321.421 1.540 10 0 DDAERO COC(=O)c1ccccc1OCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000248423768 408563885 /nfs/dbraw/zinc/56/38/85/408563885.db2.gz NDMHELSJWDRCPW-AWEZNQCLSA-N 1 0 304.390 1.632 10 0 DDAERO CC[C@@H]1CN(C(=O)NCc2ccsc2)CC[N@@H+]1C[C@H](C)O ZINC000248450093 408569243 /nfs/dbraw/zinc/56/92/43/408569243.db2.gz IPHFPMLEOSXQQX-GXTWGEPZSA-N 1 0 311.451 1.735 10 0 DDAERO CC(C)(CNC(=O)N[C@@H]1CCCn2ncnc21)[NH+]1CCCCC1 ZINC000177337763 408583808 /nfs/dbraw/zinc/58/38/08/408583808.db2.gz OHUNHIXQXDCCLX-CYBMUJFWSA-N 1 0 320.441 1.677 10 0 DDAERO CC(C)(C)[NH+]1CCC(NC(=O)N[C@@H]2CCCn3ncnc32)CC1 ZINC000177382803 408595332 /nfs/dbraw/zinc/59/53/32/408595332.db2.gz MEMLYJRADISNKO-CYBMUJFWSA-N 1 0 320.441 1.675 10 0 DDAERO COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000248645397 408609189 /nfs/dbraw/zinc/60/91/89/408609189.db2.gz RFWRRAOHAGDBDU-FAAHXZRKSA-N 1 0 304.390 1.603 10 0 DDAERO COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000248734317 408627720 /nfs/dbraw/zinc/62/77/20/408627720.db2.gz GUELLCZYOXTIBM-DUVNUKRYSA-N 1 0 318.417 1.970 10 0 DDAERO CCCC(O)(CCC)CC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000161717245 408630622 /nfs/dbraw/zinc/63/06/22/408630622.db2.gz KIRFEWIUZPKBNZ-AWEZNQCLSA-N 1 0 300.443 1.497 10 0 DDAERO CCC[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[NH+](C)C ZINC000161855645 408644816 /nfs/dbraw/zinc/64/48/16/408644816.db2.gz QBRJQSCLVHJRDT-CQSZACIVSA-N 1 0 306.406 1.847 10 0 DDAERO CCC[C@@H](C(=O)Nc1ccc(NC(=O)CN(C)C)cc1)[NH+](C)C ZINC000162382118 408695872 /nfs/dbraw/zinc/69/58/72/408695872.db2.gz DBOQXARAGIHEDD-HNNXBMFYSA-N 1 0 320.437 1.856 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(O)c(F)c1 ZINC000163677505 408787270 /nfs/dbraw/zinc/78/72/70/408787270.db2.gz HOULQKNMYNFTCG-DGCLKSJQSA-N 1 0 307.369 1.909 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(F)cc3nccnc32)C1 ZINC000194665060 408791401 /nfs/dbraw/zinc/79/14/01/408791401.db2.gz CTYAVPFUPIOUGX-LBPRGKRZSA-N 1 0 302.353 1.983 10 0 DDAERO C[C@H](C(=O)N1CCN(c2ccc(Cl)cc2)CC1)C1C[NH2+]C1 ZINC000163873057 408792691 /nfs/dbraw/zinc/79/26/91/408792691.db2.gz SDSLSJGWXIEBCR-LBPRGKRZSA-N 1 0 307.825 1.844 10 0 DDAERO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CNC(=O)C1)Cc1ccccc1 ZINC000194867825 408803456 /nfs/dbraw/zinc/80/34/56/408803456.db2.gz CBXUDHZKSDQJPB-CVEARBPZSA-N 1 0 317.433 1.192 10 0 DDAERO Cc1c(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cnn1CC(C)C ZINC000163047026 408753400 /nfs/dbraw/zinc/75/34/00/408753400.db2.gz JBLKEMKLNOFRMN-AWEZNQCLSA-N 1 0 308.426 1.250 10 0 DDAERO CCn1cnnc1[C@@H]1CCC[N@H+](C[C@@H](O)COCC(C)C)C1 ZINC000249888115 408769541 /nfs/dbraw/zinc/76/95/41/408769541.db2.gz PTFIMSKEJBCNKE-HUUCEWRRSA-N 1 0 310.442 1.511 10 0 DDAERO CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185157117 408772227 /nfs/dbraw/zinc/77/22/27/408772227.db2.gz ALHOGBOQUAFYSI-CVEARBPZSA-N 1 0 320.433 1.241 10 0 DDAERO C[C@H](CNC(=O)N1CC(NC(=O)C2CCC2)C1)C[NH+]1CCCC1 ZINC000188812910 163071940 /nfs/dbraw/zinc/07/19/40/163071940.db2.gz SGAGMDDDBJRKGP-CYBMUJFWSA-N 1 0 322.453 1.028 10 0 DDAERO COc1cccc(NC(=O)CC[N@@H+]2CCCNC(=O)[C@H]2C)c1 ZINC000189314837 163095634 /nfs/dbraw/zinc/09/56/34/163095634.db2.gz UNMCAZVDHKERRM-GFCCVEGCSA-N 1 0 305.378 1.234 10 0 DDAERO CC[C@H](O)C[N@@H+]1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190511697 163144360 /nfs/dbraw/zinc/14/43/60/163144360.db2.gz CQPZZPITYACPHF-GJZGRUSLSA-N 1 0 314.470 1.885 10 0 DDAERO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H](C)c2nnnn2C2CC2)CC1 ZINC000192003444 163212092 /nfs/dbraw/zinc/21/20/92/163212092.db2.gz DPMUPKYEQPSKPV-STQMWFEESA-N 1 0 322.457 1.094 10 0 DDAERO CC(C)n1nnnc1CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000195047567 163304338 /nfs/dbraw/zinc/30/43/38/163304338.db2.gz NLSGJCYGRHWZLE-UHFFFAOYSA-N 1 0 314.437 1.962 10 0 DDAERO O[C@H](C[NH2+]Cc1cc2c(c(Br)c1)OCO2)C(F)F ZINC000226578250 163336535 /nfs/dbraw/zinc/33/65/35/163336535.db2.gz IWQYZLHCNDRRAI-MRVPVSSYSA-N 1 0 324.121 1.893 10 0 DDAERO CC[C@@H]1CCCC[C@H]1OCC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000248617232 163601549 /nfs/dbraw/zinc/60/15/49/163601549.db2.gz ATWONFGAPXSFAQ-OWCLPIDISA-N 1 0 312.454 1.761 10 0 DDAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ncccc3Br)C[C@@H]12 ZINC000261588062 163667893 /nfs/dbraw/zinc/66/78/93/163667893.db2.gz VKSRCKKAIPWFEX-IQJOONFLSA-N 1 0 310.195 1.653 10 0 DDAERO C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@H]1[NH3+] ZINC000261634225 163675481 /nfs/dbraw/zinc/67/54/81/163675481.db2.gz DSODXDREIQDTQR-GZMMTYOYSA-N 1 0 308.325 1.673 10 0 DDAERO COCCOc1ccccc1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261678982 163683209 /nfs/dbraw/zinc/68/32/09/163683209.db2.gz AMWVVMRILVJLPZ-HNNXBMFYSA-N 1 0 306.406 1.911 10 0 DDAERO COc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c(F)c1 ZINC000261901856 163725120 /nfs/dbraw/zinc/72/51/20/163725120.db2.gz WPSKYZSXMYVZMR-ZDUSSCGKSA-N 1 0 316.398 1.582 10 0 DDAERO C[C@@H]1CN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)C[C@@H]1[NH3+] ZINC000261999984 163744865 /nfs/dbraw/zinc/74/48/65/163744865.db2.gz GBCRNHCSZBCQPQ-PELKAZGASA-N 1 0 306.790 1.588 10 0 DDAERO COc1ccccc1CCN(C)C(=O)C1(C[NH3+])CCOCC1 ZINC000262005644 163746185 /nfs/dbraw/zinc/74/61/85/163746185.db2.gz UZQOKQCJFZJSTL-UHFFFAOYSA-N 1 0 306.406 1.452 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(SC(F)(F)F)cc1 ZINC000262202599 163784704 /nfs/dbraw/zinc/78/47/04/163784704.db2.gz IGJHFANDTIDRET-ONGXEEELSA-N 1 0 320.336 1.609 10 0 DDAERO O=C(CC(c1ccccc1)c1ccccc1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262281396 163798368 /nfs/dbraw/zinc/79/83/68/163798368.db2.gz NXWTYUMUFMCMAE-PKOBYXMFSA-N 1 0 324.424 1.905 10 0 DDAERO Cc1c(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cnn1C ZINC000296545805 409614184 /nfs/dbraw/zinc/61/41/84/409614184.db2.gz MKDWKYZUDNWBCH-AWEZNQCLSA-N 1 0 324.425 1.454 10 0 DDAERO Cc1cc(N2CC[NH+](CC[C@@H]3CCCO3)CC2)n2ncnc2n1 ZINC000189126916 306721864 /nfs/dbraw/zinc/72/18/64/306721864.db2.gz QQZNTMRHKKZBBG-AWEZNQCLSA-N 1 0 316.409 1.124 10 0 DDAERO C[C@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)c1cccc(Cl)c1 ZINC000313371891 409805152 /nfs/dbraw/zinc/80/51/52/409805152.db2.gz PYHUCHNMUWACSX-GXFFZTMASA-N 1 0 318.826 1.309 10 0 DDAERO CC(C)C(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000337163200 410657942 /nfs/dbraw/zinc/65/79/42/410657942.db2.gz VVZXFGVEEOIEFT-RRFJBIMHSA-N 1 0 309.454 1.622 10 0 DDAERO CCc1cc(=O)n2nc(N3CC[N@H+](C)C[C@H]3C(C)C)sc2n1 ZINC000301331228 410699233 /nfs/dbraw/zinc/69/92/33/410699233.db2.gz AMVCUJUWFXOEIP-LBPRGKRZSA-N 1 0 321.450 1.490 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1ncnc(-n2cccn2)c1N ZINC000131480807 196172166 /nfs/dbraw/zinc/17/21/66/196172166.db2.gz LVJMJDINMJGBJF-CYBMUJFWSA-N 1 0 315.425 1.777 10 0 DDAERO CN(Cc1c(F)cccc1Cl)C(=O)C1([NH3+])CCOCC1 ZINC000132157233 196231949 /nfs/dbraw/zinc/23/19/49/196231949.db2.gz LABKQSKYJTXREC-UHFFFAOYSA-N 1 0 300.761 1.945 10 0 DDAERO CC[NH+]1CCC(CCNC(=O)N[C@@H](C(=O)NC)C(C)C)CC1 ZINC000178412952 221864187 /nfs/dbraw/zinc/86/41/87/221864187.db2.gz UZXJRAZRRKLBBS-CQSZACIVSA-N 1 0 312.458 1.178 10 0 DDAERO C[C@@H]1CC(CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)C[C@@H](C)O1 ZINC000366998794 418549797 /nfs/dbraw/zinc/54/97/97/418549797.db2.gz SHSDRORRIJIHSC-UMVBOHGHSA-N 1 0 313.442 1.162 10 0 DDAERO CCn1c(C)nnc1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000195045013 222189624 /nfs/dbraw/zinc/18/96/24/222189624.db2.gz WDMBPEZRESFKSA-UHFFFAOYSA-N 1 0 313.449 1.967 10 0 DDAERO CCOc1ccc2c(c1)C[C@H](C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)CO2 ZINC000261883198 222261121 /nfs/dbraw/zinc/26/11/21/222261121.db2.gz UKJDWPNPXMGZQT-NFAWXSAZSA-N 1 0 318.417 1.832 10 0 DDAERO CO[C@H]1CN(S(=O)(=O)c2cc(C)sc2C)[C@](C)(C[NH3+])C1 ZINC000630363134 422049497 /nfs/dbraw/zinc/04/94/97/422049497.db2.gz PQCUEQWUDUAHIW-YPMHNXCESA-N 1 0 318.464 1.492 10 0 DDAERO C[NH2+]CCOCCN(C)c1ncc(Br)cc1C ZINC000630529348 422160490 /nfs/dbraw/zinc/16/04/90/422160490.db2.gz WYJHPKOKSOENBD-UHFFFAOYSA-N 1 0 302.216 1.825 10 0 DDAERO C[C@H]1C[C@H]1NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000637933858 422488810 /nfs/dbraw/zinc/48/88/10/422488810.db2.gz KBLQLAHVUHOURS-GOEBONIOSA-N 1 0 301.434 1.895 10 0 DDAERO Cc1cc(NC(=O)[C@H]2C[NH2+]CCOC2)ccc1Br ZINC000643615279 423209859 /nfs/dbraw/zinc/20/98/59/423209859.db2.gz FLWHNBXRERWRSE-JTQLQIEISA-N 1 0 313.195 1.932 10 0 DDAERO CCC[C@H](C(=O)NCc1ccc(-n2cncn2)cc1)[NH+](C)C ZINC000161608310 263344929 /nfs/dbraw/zinc/34/49/29/263344929.db2.gz BJHNGVWPKQITAD-OAHLLOKOSA-N 1 0 301.394 1.614 10 0 DDAERO COc1c(C[NH2+][C@H](CO)Cc2ccc(C)cc2)c(C)nn1C ZINC000188965784 263433594 /nfs/dbraw/zinc/43/35/94/263433594.db2.gz XOIVKAAHCYCPHC-HNNXBMFYSA-N 1 0 303.406 1.739 10 0 DDAERO C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)c1nncn1C ZINC000192984488 263478367 /nfs/dbraw/zinc/47/83/67/263478367.db2.gz GNOYPVWHHJLIGP-JSGCOSHPSA-N 1 0 316.409 1.478 10 0 DDAERO COC[C@@]1(C(=O)N2CCN(Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000649275506 423713243 /nfs/dbraw/zinc/71/32/43/423713243.db2.gz FKFGVIIAQLGBKE-GOSISDBHSA-N 1 0 317.433 1.099 10 0 DDAERO CC1(C)[C@H]([NH2+]CCC2(CS(C)(=O)=O)CC2)[C@@H]2CCO[C@H]21 ZINC000658079465 424587552 /nfs/dbraw/zinc/58/75/52/424587552.db2.gz YFPRJUZEONEDMS-YNEHKIRRSA-N 1 0 301.452 1.604 10 0 DDAERO C[C@@H](Cc1cnccn1)[NH2+]C[C@@H]1CCCO[C@H]1c1ccnn1C ZINC000658271134 424626394 /nfs/dbraw/zinc/62/63/94/424626394.db2.gz ZUIKVKSAEWSPNK-GRDNDAEWSA-N 1 0 315.421 1.899 10 0 DDAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H](c3nnc[nH]3)C2)C1 ZINC000341610333 271139462 /nfs/dbraw/zinc/13/94/62/271139462.db2.gz JVBOTSLVPNOMDD-FRRDWIJNSA-N 1 0 306.414 1.176 10 0 DDAERO CC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])c1 ZINC000235360516 275506370 /nfs/dbraw/zinc/50/63/70/275506370.db2.gz USLREIWDRJGSRN-BXUZGUMPSA-N 1 0 310.419 1.637 10 0 DDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccccc1CN1C(=O)CCC1=O ZINC000237008786 276419792 /nfs/dbraw/zinc/41/97/92/276419792.db2.gz YARLBJPCXRGUOO-BDJLRTHQSA-N 1 0 317.389 1.648 10 0 DDAERO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2cc(Cl)c[nH]2)C1 ZINC000286544994 277348168 /nfs/dbraw/zinc/34/81/68/277348168.db2.gz WVVFNMXPPYVLFH-STQMWFEESA-N 1 0 311.813 1.993 10 0 DDAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H](C)C2CCS(=O)(=O)CC2)C1 ZINC000187366846 277636437 /nfs/dbraw/zinc/63/64/37/277636437.db2.gz OJFOSDVYWLWOMK-IPYPFGDCSA-N 1 0 302.484 1.518 10 0 DDAERO COc1cccc(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1OC ZINC000180230694 278011636 /nfs/dbraw/zinc/01/16/36/278011636.db2.gz GHGWFHJSZVKGOK-HOCLYGCPSA-N 1 0 320.433 1.856 10 0 DDAERO CC(C)CS(=O)(=O)CCC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262033106 278937670 /nfs/dbraw/zinc/93/76/70/278937670.db2.gz PMZAHPKRLKEPAF-GFCCVEGCSA-N 1 0 304.456 1.033 10 0 DDAERO CC(C)C[C@H](C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])N1CCCCC1=O ZINC000236757391 279075873 /nfs/dbraw/zinc/07/58/73/279075873.db2.gz UABDQOWFLWEINM-RBSFLKMASA-N 1 0 309.454 1.657 10 0 DDAERO C[C@@](O)(C[NH2+][C@H]1CCCc2ccc(F)cc21)CN1CCOCC1 ZINC000097034579 279151381 /nfs/dbraw/zinc/15/13/81/279151381.db2.gz LTJALKOOGZKNER-ZWKOTPCHSA-N 1 0 322.424 1.876 10 0 DDAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)NC(=O)NC(C)(C)C ZINC000178295525 279172717 /nfs/dbraw/zinc/17/27/17/279172717.db2.gz HGHZDPLGUXGGNG-ZDUSSCGKSA-N 1 0 321.425 1.280 10 0 DDAERO O=C([C@@H]1CC(F)(F)CN1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000263167155 280076943 /nfs/dbraw/zinc/07/69/43/280076943.db2.gz FHDSWZUNHOYCDU-OLZOCXBDSA-N 1 0 301.381 1.461 10 0 DDAERO Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+]C[C@H]2CN(C)CCO2)c1 ZINC000105933202 281051699 /nfs/dbraw/zinc/05/16/99/281051699.db2.gz KBQIRUZPJWBKDG-GJZGRUSLSA-N 1 0 305.422 1.551 10 0 DDAERO CC[C@H]1CN(C(=O)Cc2ccc(C)cc2)CC[N@@H+]1C[C@H](C)O ZINC000246672592 282006294 /nfs/dbraw/zinc/00/62/94/282006294.db2.gz AIFWNMVPFHMLOK-RDJZCZTQSA-N 1 0 304.434 1.841 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000247532993 282057992 /nfs/dbraw/zinc/05/79/92/282057992.db2.gz PIJJOOVZDZSWKY-RBSFLKMASA-N 1 0 324.469 1.415 10 0 DDAERO CC[C@H]1CN(C(=O)Nc2nnc(C)s2)CC[N@@H+]1C[C@H](C)O ZINC000247552514 282059189 /nfs/dbraw/zinc/05/91/89/282059189.db2.gz QCDCZWGFTKZNDC-ONGXEEELSA-N 1 0 313.427 1.155 10 0 DDAERO C[NH+](C)CC1(CNC(=O)N[C@H]2CCc3ncnn3C2)CCCC1 ZINC000185004926 282072116 /nfs/dbraw/zinc/07/21/16/282072116.db2.gz HJMFLYFVFYSCEC-ZDUSSCGKSA-N 1 0 320.441 1.014 10 0 DDAERO C[NH+](C)CC(=O)N1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248620048 289075760 /nfs/dbraw/zinc/07/57/60/289075760.db2.gz MUPGBKKASSMMAA-XQQFMLRXSA-N 1 0 311.426 1.310 10 0 DDAERO C[NH+](C)CC1(CNC(=O)N[C@@H]2CCCn3ncnc32)CCCC1 ZINC000185784807 289091560 /nfs/dbraw/zinc/09/15/60/289091560.db2.gz ITIGKLBYOQWDNE-CYBMUJFWSA-N 1 0 320.441 1.534 10 0 DDAERO CCC[C@@H](C(=O)NCCCOCC1CCOCC1)[NH+](C)C ZINC000163508907 298209573 /nfs/dbraw/zinc/20/95/73/298209573.db2.gz YQOZKGUNGQNVFE-HNNXBMFYSA-N 1 0 300.443 1.666 10 0 DDAERO CCCC(=O)N[C@H]1CCC[N@H+](C[C@H](O)COCC(C)C)C1 ZINC000171352197 298232341 /nfs/dbraw/zinc/23/23/41/298232341.db2.gz KPLLQQUANAAVDQ-GJZGRUSLSA-N 1 0 300.443 1.401 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2cc(F)ccc2F)C[C@H]1C ZINC000173947472 298256374 /nfs/dbraw/zinc/25/63/74/298256374.db2.gz WYGUJARFLIQUTO-VXGBXAGGSA-N 1 0 312.360 1.421 10 0 DDAERO CNC(=O)C[C@H](C)[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400339421 302369472 /nfs/dbraw/zinc/36/94/72/302369472.db2.gz GIVLPANNVHTVHV-XQQFMLRXSA-N 1 0 313.442 1.746 10 0 DDAERO COCC(COC)[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400349605 302369500 /nfs/dbraw/zinc/36/95/00/302369500.db2.gz JJOJVZIRZOSCFO-CHWSQXEVSA-N 1 0 316.442 1.883 10 0 DDAERO NC(=O)c1cc(Br)cnc1OC1CC[NH2+]CC1 ZINC000584633016 337377273 /nfs/dbraw/zinc/37/72/73/337377273.db2.gz QYUXFBHLGRERCQ-UHFFFAOYSA-N 1 0 300.156 1.074 10 0 DDAERO [NH3+][C@H]1C[C@@H](C(=O)[O-])N(C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000077503427 483962654 /nfs/dbraw/zinc/96/26/54/483962654.db2.gz AWBKXCRKVVLUHX-RDJZCZTQSA-N 1 0 317.433 1.180 10 0 DDAERO CCOc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1C ZINC000089091956 484006925 /nfs/dbraw/zinc/00/69/25/484006925.db2.gz NFULDWOAEZLMDA-JSGCOSHPSA-N 1 0 312.435 1.799 10 0 DDAERO O=C([C@H]1CCC[NH2+]1)N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000261755625 484255807 /nfs/dbraw/zinc/25/58/07/484255807.db2.gz QPPJZLBHBHMEGU-VHSXEESVSA-N 1 0 316.327 1.887 10 0 DDAERO COc1ccc(C2(C(=O)NC[C@H]3C[NH2+]C[C@H]3O)CCCC2)cc1 ZINC000262092702 484262740 /nfs/dbraw/zinc/26/27/40/484262740.db2.gz DDGNVXCLQDHGGB-CZUORRHYSA-N 1 0 318.417 1.204 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc(F)cc(C(F)(F)F)c1 ZINC000262121590 484264134 /nfs/dbraw/zinc/26/41/34/484264134.db2.gz FYOMBUOHVGPXJO-GZMMTYOYSA-N 1 0 306.259 1.155 10 0 DDAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1ccc(Br)cc1Cl 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DDAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CCOCCO)C1 ZINC000083799174 534816447 /nfs/dbraw/zinc/81/64/47/534816447.db2.gz UZAUXKWEUXDTDT-ZDUSSCGKSA-N 1 0 302.415 1.232 10 0 DDAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000157844107 527214946 /nfs/dbraw/zinc/21/49/46/527214946.db2.gz KNLCKCPVTJTUNL-GXSJLCMTSA-N 1 0 317.311 1.880 10 0 DDAERO CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](n3cncn3)C2)CC1 ZINC000174631643 535143685 /nfs/dbraw/zinc/14/36/85/535143685.db2.gz MOMFUBJCSXUFCX-HNNXBMFYSA-N 1 0 305.426 1.562 10 0 DDAERO C[C@@H]1CN(Cc2cn(C)nc2Br)C[C@@H]1[NH+](C)C ZINC000713859675 699267910 /nfs/dbraw/zinc/26/79/10/699267910.db2.gz DMNXUWUSJOAGIY-KOLCDFICSA-N 1 0 301.232 1.565 10 0 DDAERO Cc1ccc(N)cc1S(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000049554481 696225393 /nfs/dbraw/zinc/22/53/93/696225393.db2.gz ZVWJXKXCLHZFGH-CQSZACIVSA-N 1 0 313.467 1.832 10 0 DDAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC1CC1 ZINC000173344898 697377165 /nfs/dbraw/zinc/37/71/65/697377165.db2.gz 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/nfs/dbraw/zinc/43/83/41/698438341.db2.gz RFKFXWLIJPVUDF-LLVKDONJSA-N 1 0 306.797 1.923 10 0 DDAERO COc1ccc([C@@H](C)NC(=O)C2([NH3+])CCOCC2)cc1OC ZINC000261824865 698439660 /nfs/dbraw/zinc/43/96/60/698439660.db2.gz AWZPXMMGKWLVSB-LLVKDONJSA-N 1 0 308.378 1.389 10 0 DDAERO COc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000262039664 698451826 /nfs/dbraw/zinc/45/18/26/698451826.db2.gz YIEKYDXRUDQSKJ-KURKYZTESA-N 1 0 320.433 1.821 10 0 DDAERO O=S(=O)(Cc1ccc(F)c(Cl)c1)NC[C@H]1CC[NH2+]C1 ZINC000262361938 698465862 /nfs/dbraw/zinc/46/58/62/698465862.db2.gz VRCIYRUBWZQBCD-JTQLQIEISA-N 1 0 306.790 1.508 10 0 DDAERO Cc1csc2c1ncnc2N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000262415620 698468549 /nfs/dbraw/zinc/46/85/49/698468549.db2.gz DNOPRNQUDBLIJB-NSHDSACASA-N 1 0 319.434 1.291 10 0 DDAERO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(Br)cn3)C[C@@H]2C1 ZINC000311572388 698673716 /nfs/dbraw/zinc/67/37/16/698673716.db2.gz VAGWLJHFNFEWGA-QWRGUYRKSA-N 1 0 324.222 1.868 10 0 DDAERO C[C@@H]([NH2+]C[C@@](C)(O)C(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000704990900 699238763 /nfs/dbraw/zinc/23/87/63/699238763.db2.gz KBUBIWRKDRUVGQ-NOZJJQNGSA-N 1 0 307.362 1.757 10 0 DDAERO COC[C@@]1(C(=O)N[C@@H](C)c2ccc(Cl)s2)C[NH2+]CCO1 ZINC000710775123 699254966 /nfs/dbraw/zinc/25/49/66/699254966.db2.gz OKSIXRIMLCHMIR-TVQRCGJNSA-N 1 0 318.826 1.584 10 0 DDAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]CC[C@@]2(O)CCOC2)C1 ZINC000711457179 699258332 /nfs/dbraw/zinc/25/83/32/699258332.db2.gz BOPPPEMDQFBSNV-SEEARECTSA-N 1 0 314.426 1.421 10 0 DDAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000716718569 699283912 /nfs/dbraw/zinc/28/39/12/699283912.db2.gz XCEHTQZIQGTFFY-OKZRHMCRSA-N 1 0 311.426 1.485 10 0 DDAERO CC1(C)C[NH2+]C[C@H]1Nc1ncc(I)cn1 ZINC000721940444 699316324 /nfs/dbraw/zinc/31/63/24/699316324.db2.gz MIUUDHCXAGKRPV-MRVPVSSYSA-N 1 0 318.162 1.491 10 0 DDAERO CC(C)c1noc(NC(=O)N2CCC([N@H+](C)CCO)CC2)n1 ZINC000828757275 706226441 /nfs/dbraw/zinc/22/64/41/706226441.db2.gz BQUXFTLFNOBWJJ-UHFFFAOYSA-N 1 0 311.386 1.113 10 0 DDAERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2NC(=O)Cc2[nH]cnc2C)C1 ZINC000886075556 708692864 /nfs/dbraw/zinc/69/28/64/708692864.db2.gz ODIIFSYRFZZMGO-GUTXKFCHSA-N 1 0 306.410 1.019 10 0 DDAERO CC[C@H]1CN(c2nc(Cl)nc3nc[nH]c32)CC[N@@H+]1C[C@H](C)O ZINC000892356009 710423328 /nfs/dbraw/zinc/42/33/28/710423328.db2.gz ZLPGZZNOWXEQHV-UWVGGRQHSA-N 1 0 324.816 1.288 10 0 DDAERO CCOC(=O)c1c[nH]nc1[C@H]1CCN(C[C@@H]2CCC[N@@H+]2C)C1 ZINC000931011450 713982070 /nfs/dbraw/zinc/98/20/70/713982070.db2.gz XLZTVPTXEHAAGQ-STQMWFEESA-N 1 0 306.410 1.470 10 0 DDAERO CC[C@@H]1CN(C(=O)[C@H](C)c2c(C)n[nH]c2C)CC[N@@H+]1C[C@H](C)O ZINC000248457874 282084886 /nfs/dbraw/zinc/08/48/86/282084886.db2.gz PIJURTFBKKVNCA-YWPYICTPSA-N 1 0 322.453 1.434 10 0 DDAERO CC[C@H]1CN(CCCC(=O)OC(C)(C)C)CC[N@@H+]1C[C@H](C)O ZINC000248470417 282086738 /nfs/dbraw/zinc/08/67/38/282086738.db2.gz VAZFJHCVCGMQRB-GJZGRUSLSA-N 1 0 314.470 1.885 10 0 DDAERO COc1ccc([C@@H]([NH3+])[C@H](C)SCCS(C)(=O)=O)cc1 ZINC000081769049 192322701 /nfs/dbraw/zinc/32/27/01/192322701.db2.gz GSVLPVOWMRBPMS-GWCFXTLKSA-N 1 0 303.449 1.861 10 0 DDAERO CN1C(=O)CC[C@H](C(=O)NCC[NH+](C)C)[C@H]1c1ccccc1 ZINC000178903311 282104855 /nfs/dbraw/zinc/10/48/55/282104855.db2.gz IHSFIUCKFWBXLM-GOEBONIOSA-N 1 0 303.406 1.274 10 0 DDAERO CCC[NH2+][C@@H]1CCC2(C[C@@H]1Sc1nncn1C)OCCO2 ZINC000081867036 192332658 /nfs/dbraw/zinc/33/26/58/192332658.db2.gz VTMPXRXJFBPALB-NEPJUHHUSA-N 1 0 312.439 1.571 10 0 DDAERO C[NH2+][C@H](CSc1n[nH]c(=O)n1C)c1cc2ccccc2o1 ZINC000081880800 192334615 /nfs/dbraw/zinc/33/46/15/192334615.db2.gz BOQUIUFVBMMIJT-SNVBAGLBSA-N 1 0 304.375 1.907 10 0 DDAERO COc1ccc(C)cc1[C@@H](O)C[NH2+][C@@H](C)CS(C)(=O)=O ZINC000081902958 192336729 /nfs/dbraw/zinc/33/67/29/192336729.db2.gz PCZUPBHOKKNGKH-AAEUAGOBSA-N 1 0 301.408 1.060 10 0 DDAERO [NH3+][C@H]1CCOC[C@H]1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000081922620 192339304 /nfs/dbraw/zinc/33/93/04/192339304.db2.gz KEGQYJQZEHMONX-GXSJLCMTSA-N 1 0 310.202 1.883 10 0 DDAERO [NH3+][C@H]1CCC2(C[C@H]1S(=O)(=O)Cc1ccccc1)OCCO2 ZINC000081923783 192340376 /nfs/dbraw/zinc/34/03/76/192340376.db2.gz OBYRFFKOYMEZJL-UONOGXRCSA-N 1 0 311.403 1.224 10 0 DDAERO C[NH2+][C@H](CS(=O)(=O)CC(C)C)c1ccc2c(c1)OCCO2 ZINC000081929886 192341568 /nfs/dbraw/zinc/34/15/68/192341568.db2.gz WHAMFVGPRUNQLH-CYBMUJFWSA-N 1 0 313.419 1.789 10 0 DDAERO C[NH2+][C@@H]1CCOC[C@@H]1S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000081935936 192342944 /nfs/dbraw/zinc/34/29/44/192342944.db2.gz LZVZLJWWRBEVIL-NEPJUHHUSA-N 1 0 323.336 1.856 10 0 DDAERO COCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000079306318 185164341 /nfs/dbraw/zinc/16/43/41/185164341.db2.gz PMZQPGRITPOPIM-CHWSQXEVSA-N 1 0 324.421 1.896 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCCC(=O)NC1CC1 ZINC000079480039 185173253 /nfs/dbraw/zinc/17/32/53/185173253.db2.gz HCJVHCZSAITVLV-CQSZACIVSA-N 1 0 312.458 1.321 10 0 DDAERO COc1cc(C)c(S(=O)(=O)N(C)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000082348629 185176732 /nfs/dbraw/zinc/17/67/32/185176732.db2.gz WZAGXHRLAOOPLI-ZDUSSCGKSA-N 1 0 312.435 1.685 10 0 DDAERO [NH3+][C@@]1(C(=O)NCc2cc(Br)cs2)CCOC1 ZINC000082986287 185210475 /nfs/dbraw/zinc/21/04/75/185210475.db2.gz WPGMCBKBQHFYNU-JTQLQIEISA-N 1 0 305.197 1.245 10 0 DDAERO C[C@@H]1C[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)CC[C@@H]1O ZINC000249599440 282182175 /nfs/dbraw/zinc/18/21/75/282182175.db2.gz XTIYWJLQLCAVRH-WQVCFCJDSA-N 1 0 313.825 1.920 10 0 DDAERO CC[C@H](C[NH3+])NS(=O)(=O)c1cc(Br)ccc1C ZINC000087386253 185223356 /nfs/dbraw/zinc/22/33/56/185223356.db2.gz RXPWPCCSBRIDDQ-SNVBAGLBSA-N 1 0 321.240 1.773 10 0 DDAERO CC[C@H](C[NH3+])C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 ZINC000087522272 185227706 /nfs/dbraw/zinc/22/77/06/185227706.db2.gz YWNXYVHCXXPLLF-MRVPVSSYSA-N 1 0 303.359 1.121 10 0 DDAERO Cc1cc(CNS(=O)(=O)C[C@@H]2CCCC[NH2+]2)sc1C ZINC000087581639 185228993 /nfs/dbraw/zinc/22/89/93/185228993.db2.gz DRJFOKPHIZPBEX-LBPRGKRZSA-N 1 0 302.465 1.926 10 0 DDAERO CC(C)([NH3+])C(C)(C)C(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000087627608 185229531 /nfs/dbraw/zinc/22/95/31/185229531.db2.gz HGPBMTSQZLLMJL-UHFFFAOYSA-N 1 0 316.398 1.931 10 0 DDAERO C[C@@H]([NH3+])CCC[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000087682579 185230535 /nfs/dbraw/zinc/23/05/35/185230535.db2.gz LTVKLWIINYKRNI-WDEREUQCSA-N 1 0 313.423 1.426 10 0 DDAERO CCOC(=O)[C@H]1CSCCN1C(=O)CCC(C)(C)CC[NH3+] ZINC000087695505 185230643 /nfs/dbraw/zinc/23/06/43/185230643.db2.gz UHBOWFIFSSDTDT-GFCCVEGCSA-N 1 0 316.467 1.649 10 0 DDAERO Cc1nn(C)c(Cl)c1CSc1nnc(C)n1CC[NH3+] ZINC000087711484 185230962 /nfs/dbraw/zinc/23/09/62/185230962.db2.gz XGDGXAWONCFUML-UHFFFAOYSA-N 1 0 300.819 1.533 10 0 DDAERO O=C1C[NH2+]CCCN1CCOc1ccc(Br)cc1 ZINC000087882228 185234505 /nfs/dbraw/zinc/23/45/05/185234505.db2.gz MGHHEMGFBSHBFL-UHFFFAOYSA-N 1 0 313.195 1.650 10 0 DDAERO NNc1nc(NC[C@@H]2CCC[C@@H]2O)c(Br)c[nH+]1 ZINC000087889973 185234633 /nfs/dbraw/zinc/23/46/33/185234633.db2.gz QFYKMTLRDAGSSM-XPUUQOCRSA-N 1 0 302.176 1.098 10 0 DDAERO C[C@@H]1CN(c2nc(NN)[nH+]cc2Br)C[C@H](C)O1 ZINC000087897391 185235580 /nfs/dbraw/zinc/23/55/80/185235580.db2.gz QQDAWNSEOSECNP-KNVOCYPGSA-N 1 0 302.176 1.138 10 0 DDAERO NS(=O)(=O)CCC[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816408 185232502 /nfs/dbraw/zinc/23/25/02/185232502.db2.gz BZBVFFDJKJGBDQ-AWEZNQCLSA-N 1 0 307.419 1.814 10 0 DDAERO CC[C@H]1CN(Cc2ccc(OC)c(C(N)=S)c2)CC[N@@H+]1C ZINC000087832661 185232940 /nfs/dbraw/zinc/23/29/40/185232940.db2.gz ZKMGXLRBVCTNCH-ZDUSSCGKSA-N 1 0 307.463 1.855 10 0 DDAERO NNc1nc(NCCc2cccnc2)c(Br)c[nH+]1 ZINC000087854843 185233611 /nfs/dbraw/zinc/23/36/11/185233611.db2.gz TZBRTGHPFLPLAD-UHFFFAOYSA-N 1 0 309.171 1.574 10 0 DDAERO CCCCOCCOc1nc(NN)[nH+]cc1Br ZINC000087877006 185234036 /nfs/dbraw/zinc/23/40/36/185234036.db2.gz BIOSECBTOVQKNH-UHFFFAOYSA-N 1 0 305.176 1.720 10 0 DDAERO NNc1nc(NC[C@H]2CCCOC2)c(Br)c[nH+]1 ZINC000087868209 185234082 /nfs/dbraw/zinc/23/40/82/185234082.db2.gz LZUWTEUYYJDKQE-SSDOTTSWSA-N 1 0 302.176 1.363 10 0 DDAERO CCN1CCN(c2nc(NN)[nH+]cc2Br)C[C@@H]1C ZINC000087877205 185234131 /nfs/dbraw/zinc/23/41/31/185234131.db2.gz VAPDVYIFCSFBHE-QMMMGPOBSA-N 1 0 315.219 1.055 10 0 DDAERO C[N@@H+]1CCCC[C@H]1COc1nc(Cl)nc(-n2cccn2)n1 ZINC000088165580 185241101 /nfs/dbraw/zinc/24/11/01/185241101.db2.gz UGCPWKOETIIVOM-JTQLQIEISA-N 1 0 308.773 1.574 10 0 DDAERO Cc1nnc(SCCc2ccc3c(c2)CCO3)n1CC[NH3+] ZINC000088102650 185239658 /nfs/dbraw/zinc/23/96/58/185239658.db2.gz RKNBIRXELPUZGW-UHFFFAOYSA-N 1 0 304.419 1.815 10 0 DDAERO CC(C)OCCCCNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000182793116 539240419 /nfs/dbraw/zinc/24/04/19/539240419.db2.gz UFGHXGRUZLDLCY-OAHLLOKOSA-N 1 0 315.458 1.338 10 0 DDAERO CCOC(=O)CS(=O)(=O)[C@H]1CCc2ccccc2[C@H]1[NH2+]C ZINC000081977177 192348490 /nfs/dbraw/zinc/34/84/90/192348490.db2.gz QYOCLZQPLXIJAI-DZGCQCFKSA-N 1 0 311.403 1.240 10 0 DDAERO C[C@H](C[NH2+]C(C)(C)C)Cn1cc(Br)c(=O)[nH]c1=O ZINC000088453004 185251592 /nfs/dbraw/zinc/25/15/92/185251592.db2.gz WKDQIEPGEOOMMD-MRVPVSSYSA-N 1 0 318.215 1.323 10 0 DDAERO CN(CCC(F)(F)F)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000088432982 185249691 /nfs/dbraw/zinc/24/96/91/185249691.db2.gz YGKFDYQNMWKAPD-UHFFFAOYSA-N 1 0 316.370 1.822 10 0 DDAERO CCN[C@](C)(C[C@H](C)[NH+]1CCC(C(F)(F)F)CC1)C(N)=O ZINC000088435568 185250288 /nfs/dbraw/zinc/25/02/88/185250288.db2.gz PKZUVJKYJHJSLZ-GXFFZTMASA-N 1 0 309.376 1.893 10 0 DDAERO O=C(CCC1CC[NH2+]CC1)Nc1cnc(Br)cn1 ZINC000088446393 185251250 /nfs/dbraw/zinc/25/12/50/185251250.db2.gz XAIWEWJFHIZNKS-UHFFFAOYSA-N 1 0 313.199 1.957 10 0 DDAERO O=C(CC[C@@H]1CCC[NH2+]C1)Nc1cnc(Br)cn1 ZINC000088446344 185251299 /nfs/dbraw/zinc/25/12/99/185251299.db2.gz QNQJXYSGMFOKBX-VIFPVBQESA-N 1 0 313.199 1.957 10 0 DDAERO CCOC[C@H](C)NS(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000088543033 185256499 /nfs/dbraw/zinc/25/64/99/185256499.db2.gz BBELKMJKRJYLTF-LBPRGKRZSA-N 1 0 318.439 1.729 10 0 DDAERO Nc1c2nccnc2sc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000088642430 185261316 /nfs/dbraw/zinc/26/13/16/185261316.db2.gz HGZSJLVJZLLDCY-MRVPVSSYSA-N 1 0 303.391 1.240 10 0 DDAERO C[NH2+]CCc1nnc(-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000088822520 185266692 /nfs/dbraw/zinc/26/66/92/185266692.db2.gz GNHFBLQUCOOHJM-UHFFFAOYSA-N 1 0 309.391 1.993 10 0 DDAERO CC1(C)CN([C@H]2C=CS(=O)(=O)C2)[C@@H](c2ccccc2)C[NH2+]1 ZINC000088860409 185267531 /nfs/dbraw/zinc/26/75/31/185267531.db2.gz YOLKBDABNBZRHJ-LSDHHAIUSA-N 1 0 306.431 1.722 10 0 DDAERO C[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)S(=O)(=O)CCCOC ZINC000081986292 192349794 /nfs/dbraw/zinc/34/97/94/192349794.db2.gz KOWQIQBATULSMM-SWLSCSKDSA-N 1 0 315.435 1.796 10 0 DDAERO C[NH2+][C@@H]1c2ccccc2CC[C@H]1S(=O)(=O)C1CCOCC1 ZINC000081989689 192351144 /nfs/dbraw/zinc/35/11/44/192351144.db2.gz YSQFLPSWARGAAT-HZPDHXFCSA-N 1 0 309.431 1.856 10 0 DDAERO CC[NH2+]Cc1cn(Cc2cc(Cl)cc3c2OCOC3)nn1 ZINC000090296094 185289996 /nfs/dbraw/zinc/28/99/96/185289996.db2.gz KJSHVHRSEKRUSO-UHFFFAOYSA-N 1 0 308.769 1.956 10 0 DDAERO c1coc(-c2nc(CN3CCN(C4C[NH2+]C4)CC3)cs2)c1 ZINC000090307357 185290132 /nfs/dbraw/zinc/29/01/32/185290132.db2.gz HPTRLVYJWISFDG-UHFFFAOYSA-N 1 0 304.419 1.493 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NC(=O)c1ccc(C(F)(F)F)nc1 ZINC000090311113 185290457 /nfs/dbraw/zinc/29/04/57/185290457.db2.gz VORBRSADICJGNO-KKZNHRDASA-N 1 0 303.284 1.335 10 0 DDAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1cc(F)cc(F)c1 ZINC000090325882 185291131 /nfs/dbraw/zinc/29/11/31/185291131.db2.gz FWXNVRWCDAYACI-KKFJDGPESA-N 1 0 302.346 1.193 10 0 DDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1CC(=O)Nc1cccnc1Cl ZINC000090332861 185291719 /nfs/dbraw/zinc/29/17/19/185291719.db2.gz MCMCIRUCGKJPCL-NQBHXWOUSA-N 1 0 308.813 1.603 10 0 DDAERO Cc1cc(C)cc(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@@H]3C2(C)C)c1 ZINC000090337031 185291838 /nfs/dbraw/zinc/29/18/38/185291838.db2.gz NBLMWRZMEZVEMH-ZFWWWQNUSA-N 1 0 308.447 1.922 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1cc(F)cc(F)c1 ZINC000090336774 185291864 /nfs/dbraw/zinc/29/18/64/185291864.db2.gz WVICBJCWGBSSNH-RNCFNFMXSA-N 1 0 316.373 1.583 10 0 DDAERO COc1cc([C@H]2[NH2+]C[C@H](C)S2)cc(Cl)c1OCC(N)=O ZINC000090341145 185292067 /nfs/dbraw/zinc/29/20/67/185292067.db2.gz QAGMVVVKBSOYRJ-CPFSXVBKSA-N 1 0 316.810 1.936 10 0 DDAERO CN(Cc1ccccc1Br)C(=O)[C@H]1COC[C@H]1[NH3+] ZINC000090381685 185293677 /nfs/dbraw/zinc/29/36/77/185293677.db2.gz LNHJBMJWVOJYFD-CMPLNLGQSA-N 1 0 313.195 1.381 10 0 DDAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1nc2ccc(OC)cc2s1 ZINC000090431682 185295981 /nfs/dbraw/zinc/29/59/81/185295981.db2.gz TUBNEUZQJMFGMP-GXSJLCMTSA-N 1 0 307.375 1.478 10 0 DDAERO C[C@@]1(C(=O)Nc2cc(Br)ccc2F)COC[C@@H]1[NH3+] ZINC000090583637 185305093 /nfs/dbraw/zinc/30/50/93/185305093.db2.gz DDIQSQNRVQBJKD-CMPLNLGQSA-N 1 0 317.158 1.891 10 0 DDAERO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CCC[NH2+]C1CC1 ZINC000092320452 185312206 /nfs/dbraw/zinc/31/22/06/185312206.db2.gz BMYBFDZMUMFFIT-CQSZACIVSA-N 1 0 311.451 1.544 10 0 DDAERO CC[NH2+]C[C@@H](C)Cc1c(C)nn(CCS(C)(=O)=O)c1C ZINC000092323514 185312241 /nfs/dbraw/zinc/31/22/41/185312241.db2.gz HSNQNTISECAMFS-NSHDSACASA-N 1 0 301.456 1.333 10 0 DDAERO CCS(=O)(=O)CCn1nc(C)c([C@H](C)C[NH2+]C2CC2)c1C ZINC000092323565 185312337 /nfs/dbraw/zinc/31/23/37/185312337.db2.gz LWKWKABLTBKPPN-LLVKDONJSA-N 1 0 313.467 1.790 10 0 DDAERO Cc1noc(C)c1[C@@H](C)NS(=O)(=O)C[C@H]1CCC[NH2+]C1 ZINC000092339845 185312913 /nfs/dbraw/zinc/31/29/13/185312913.db2.gz SDFSKJGOXQDFNE-PWSUYJOCSA-N 1 0 301.412 1.271 10 0 DDAERO CC[C@@H]1CN(C(=O)/C=C\c2cncc(C)c2)CC[N@@H+]1C[C@H](C)O ZINC000255145755 282237195 /nfs/dbraw/zinc/23/71/95/282237195.db2.gz SVLHENJWRDITHF-HXHJPBPVSA-N 1 0 317.433 1.707 10 0 DDAERO COCC[NH2+]CC(=O)Nc1ccc(Cl)cc1C(=O)OC ZINC000092495355 185322341 /nfs/dbraw/zinc/32/23/41/185322341.db2.gz HLJVMFFZNXVGCY-UHFFFAOYSA-N 1 0 300.742 1.301 10 0 DDAERO COCC[NH2+]CC(=O)Nc1c2nsnc2ccc1Cl ZINC000092510535 185323279 /nfs/dbraw/zinc/32/32/79/185323279.db2.gz HYNDGOFKFAYIFD-UHFFFAOYSA-N 1 0 300.771 1.519 10 0 DDAERO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cnc(N)c(Cl)c1 ZINC000092671196 185333271 /nfs/dbraw/zinc/33/32/71/185333271.db2.gz SWMAUDZKAWIEGV-SECBINFHSA-N 1 0 318.830 1.032 10 0 DDAERO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cnccc1Cl ZINC000092627824 185330565 /nfs/dbraw/zinc/33/05/65/185330565.db2.gz QDMSENWEJWAGCI-JTQLQIEISA-N 1 0 303.815 1.450 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(C(=O)/C=C\c2cnc(C)s2)CC1 ZINC000255511256 282261917 /nfs/dbraw/zinc/26/19/17/282261917.db2.gz PHGVKKXPIMVIGJ-DSYXLKISSA-N 1 0 309.435 1.380 10 0 DDAERO CC[NH2+]CC1CCN(S(=O)(=O)NC2C(C)(C)C2(C)C)CC1 ZINC000092833302 185344954 /nfs/dbraw/zinc/34/49/54/185344954.db2.gz BUGRWSWFWCNREY-UHFFFAOYSA-N 1 0 317.499 1.577 10 0 DDAERO C[NH2+][C@H](C[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCCO2 ZINC000097077917 185406085 /nfs/dbraw/zinc/40/60/85/185406085.db2.gz ONOCCFCWZIVQNV-WCQYABFASA-N 1 0 311.403 1.543 10 0 DDAERO CN(C(=O)Nc1ccccc1C(F)(F)F)[C@@H]1C[NH2+]C[C@H]1O ZINC000041111247 190667432 /nfs/dbraw/zinc/66/74/32/190667432.db2.gz TVLZVPYUXCBVIZ-GHMZBOCLSA-N 1 0 303.284 1.502 10 0 DDAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(c2ncnc3n[nH]cc32)C1 ZINC000328624878 530006261 /nfs/dbraw/zinc/00/62/61/530006261.db2.gz CSELUVFVZRFSDJ-AWEZNQCLSA-N 1 0 323.404 1.706 10 0 DDAERO CS(=O)(=O)c1ccc(CNC(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000054292416 190683969 /nfs/dbraw/zinc/68/39/69/190683969.db2.gz QOICBTPIUPIFKD-ZDUSSCGKSA-N 1 0 310.419 1.096 10 0 DDAERO Cc1nc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c(=O)[nH]c1C ZINC000159198557 290754639 /nfs/dbraw/zinc/75/46/39/290754639.db2.gz RIBKTBKJPQTTHW-CQSZACIVSA-N 1 0 314.389 1.419 10 0 DDAERO CCC[NH2+][C@H](C)[C@@H]1CCCN(S(=O)(=O)C2CCOCC2)C1 ZINC000111713380 185628971 /nfs/dbraw/zinc/62/89/71/185628971.db2.gz MGMQMOIBMWVPIX-ZIAGYGMSSA-N 1 0 318.483 1.595 10 0 DDAERO CCC[NH2+][C@@H](C)[C@H]1CCCCN1S(=O)(=O)CCCOC ZINC000111715676 185629622 /nfs/dbraw/zinc/62/96/22/185629622.db2.gz PGHCIYMZZXWHFK-UONOGXRCSA-N 1 0 306.472 1.595 10 0 DDAERO CC(C)C[NH2+]CC1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000111719136 185630671 /nfs/dbraw/zinc/63/06/71/185630671.db2.gz 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CC[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccn1 ZINC000093699896 193293923 /nfs/dbraw/zinc/29/39/23/193293923.db2.gz IJZHVUDLVVDWOX-DZGCQCFKSA-N 1 0 311.451 1.794 10 0 DDAERO Cc1nn(C[C@H]2CCCN(S(C)(=O)=O)C2)c(C)c1[C@@H](C)[NH3+] ZINC000093701686 193294598 /nfs/dbraw/zinc/29/45/98/193294598.db2.gz ZRXALPWRTYTRCX-MFKMUULPSA-N 1 0 314.455 1.191 10 0 DDAERO CC[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)N(C)C ZINC000093700714 193294635 /nfs/dbraw/zinc/29/46/35/193294635.db2.gz LBBPRSKNICVXEK-ZIAGYGMSSA-N 1 0 319.515 1.366 10 0 DDAERO CCC1(CC)C[NH2+]CCN1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702590 193295357 /nfs/dbraw/zinc/29/53/57/193295357.db2.gz YQXWRKHSXREFJW-CQSZACIVSA-N 1 0 317.499 1.122 10 0 DDAERO CC(C)OCCS(=O)(=O)N1CCCC[C@H]1C[NH2+]C1CC1 ZINC000093667757 193287638 /nfs/dbraw/zinc/28/76/38/193287638.db2.gz ZCEIGBMFQXCXOG-AWEZNQCLSA-N 1 0 304.456 1.348 10 0 DDAERO CC[NH2+][C@]1(C(N)=O)CC[C@@H](n2cc(Br)cn2)C1 ZINC000093833129 193314298 /nfs/dbraw/zinc/31/42/98/193314298.db2.gz HOSWVGFNGWHBDI-MWLCHTKSSA-N 1 0 301.188 1.204 10 0 DDAERO CCCN[C@]1(C(=O)OCC)CC[C@@H]([N@H+](C)CCCOC)C1 ZINC000093829630 193314842 /nfs/dbraw/zinc/31/48/42/193314842.db2.gz PVVBHUWTWKUBAF-GDBMZVCRSA-N 1 0 300.443 1.809 10 0 DDAERO CN[C@]1(C(=O)OC)CC[C@H]([N@@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000093831902 193315145 /nfs/dbraw/zinc/31/51/45/193315145.db2.gz XCLRZGDFBQMNLL-GMXVVIOVSA-N 1 0 308.344 1.944 10 0 DDAERO CCOC(=O)[C@]1([NH3+])CC[C@@H](Sc2nnc3ccccn32)C1 ZINC000093852823 193318624 /nfs/dbraw/zinc/31/86/24/193318624.db2.gz MFYFAONODZVSRX-YGRLFVJLSA-N 1 0 306.391 1.635 10 0 DDAERO CCCN(CC1CC[NH2+]CC1)S(=O)(=O)Cc1cc(C)on1 ZINC000094024040 193339056 /nfs/dbraw/zinc/33/90/56/193339056.db2.gz CQAIBNUNBRIBRG-UHFFFAOYSA-N 1 0 315.439 1.524 10 0 DDAERO CCCN(CC(=O)NC(=O)NC(C)(C)C)CC(C)(C)C[NH3+] ZINC000093892138 193323967 /nfs/dbraw/zinc/32/39/67/193323967.db2.gz DPCMPETWTXFLRG-UHFFFAOYSA-N 1 0 300.447 1.308 10 0 DDAERO CC[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)[C@H]1CN(CC)CCO1 ZINC000093914987 193327952 /nfs/dbraw/zinc/32/79/52/193327952.db2.gz ARECZHRTYVPHEQ-GXTWGEPZSA-N 1 0 314.861 1.623 10 0 DDAERO CC(C)N(CC1CC[NH2+]CC1)S(=O)(=O)C1CCOCC1 ZINC000094024138 193339419 /nfs/dbraw/zinc/33/94/19/193339419.db2.gz YIOKWHHILFFRFS-UHFFFAOYSA-N 1 0 304.456 1.205 10 0 DDAERO C[NH2+][C@@H]1[C@@H](CN(C)[C@@H]2CCS(=O)(=O)C2)CCCC1(C)C ZINC000094286964 193356146 /nfs/dbraw/zinc/35/61/46/193356146.db2.gz BIOPHOPUKDDKTA-MGPQQGTHSA-N 1 0 302.484 1.520 10 0 DDAERO CCC[NH2+][C@H]1[C@H](CN(C)CCS(C)(=O)=O)CCC1(C)C ZINC000094319293 193359841 /nfs/dbraw/zinc/35/98/41/193359841.db2.gz UYZRJSBIFBZNMK-KBPBESRZSA-N 1 0 304.500 1.767 10 0 DDAERO C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C(N)=O)CC[N@@H+]1C ZINC000094335324 193360313 /nfs/dbraw/zinc/36/03/13/193360313.db2.gz IERBCAAHKGTDAH-MRVPVSSYSA-N 1 0 302.300 1.340 10 0 DDAERO CC[C@H]1C(=O)NCCN1c1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334297 193360470 /nfs/dbraw/zinc/36/04/70/193360470.db2.gz DRXZUYJDMVNBGY-VIFPVBQESA-N 1 0 302.300 1.274 10 0 DDAERO C[C@H]1CN(CC(=O)Nc2ccc(F)c(F)c2F)CC[C@@H]1[NH3+] ZINC000094342047 193362763 /nfs/dbraw/zinc/36/27/63/193362763.db2.gz NCYGSEMLLXIOEH-WPRPVWTQSA-N 1 0 301.312 1.712 10 0 DDAERO Cc1c(NCC(C)(C)C[NH+](C)C)cc(N)cc1S(N)(=O)=O ZINC000094359570 193364903 /nfs/dbraw/zinc/36/49/03/193364903.db2.gz AZMXOTKTOBXMIA-UHFFFAOYSA-N 1 0 314.455 1.224 10 0 DDAERO NC(=O)c1cc(Cl)ccc1N1CCC(OCCC[NH3+])CC1 ZINC000094073143 193343269 /nfs/dbraw/zinc/34/32/69/193343269.db2.gz DTYUREVKRHIWGK-UHFFFAOYSA-N 1 0 311.813 1.773 10 0 DDAERO Cc1cc(N)c(C)c(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000094358934 193365157 /nfs/dbraw/zinc/36/51/57/193365157.db2.gz ILBWDNYHJYHCOV-CYBMUJFWSA-N 1 0 311.451 1.600 10 0 DDAERO O=C([C@@H]1CCCN1Cc1cnc(Cl)s1)N1CC[NH2+]CC1 ZINC000094195216 193348451 /nfs/dbraw/zinc/34/84/51/193348451.db2.gz WIAVMGRVFIVTEM-NSHDSACASA-N 1 0 314.842 1.193 10 0 DDAERO Cc1cscc1C(=O)N1CC[NH+](C(C)(C)C(N)=S)CC1 ZINC000094247669 193354394 /nfs/dbraw/zinc/35/43/94/193354394.db2.gz UGXRRGBYYODUNO-UHFFFAOYSA-N 1 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ZINC000021883560 182296305 /nfs/dbraw/zinc/29/63/05/182296305.db2.gz FCCYGCBZADXUTA-UHFFFAOYSA-N 1 0 300.391 1.450 10 0 DDAERO O=C1C[C@@H]([NH2+]CCc2ccncc2)C(=O)N1c1cccc(F)c1 ZINC000039421937 183018964 /nfs/dbraw/zinc/01/89/64/183018964.db2.gz BLBSYBUYXNCHIF-OAHLLOKOSA-N 1 0 313.332 1.685 10 0 DDAERO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C[NH2+]CC(C)(C)C ZINC000040492854 183080408 /nfs/dbraw/zinc/08/04/08/183080408.db2.gz CSCGNQKNDYUUTP-CYBMUJFWSA-N 1 0 313.467 1.995 10 0 DDAERO CC(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cc(F)ccc2N)C1 ZINC000040621379 183110120 /nfs/dbraw/zinc/11/01/20/183110120.db2.gz QWYQUNFHDWUBEV-NSHDSACASA-N 1 0 315.414 1.417 10 0 DDAERO CC(C)[N@@H+]1CC[C@H](CNC2=NS(=O)(=O)c3ccccc32)C1 ZINC000040624168 183110882 /nfs/dbraw/zinc/11/08/82/183110882.db2.gz CCTKSRYGKIHKPL-GFCCVEGCSA-N 1 0 307.419 1.455 10 0 DDAERO Cc1ccccc1Nc1nc[nH+]c(NN2CCN(C)CC2)c1N ZINC000040756883 183129364 /nfs/dbraw/zinc/12/93/64/183129364.db2.gz XRVRFGXXJWOGKW-UHFFFAOYSA-N 1 0 313.409 1.685 10 0 DDAERO Cc1nc(CNC(=O)[C@H]2CCCN2C2CC[NH2+]CC2)cs1 ZINC000041011318 183155888 /nfs/dbraw/zinc/15/58/88/183155888.db2.gz RSNUTLTYOSPYFH-CQSZACIVSA-N 1 0 308.451 1.284 10 0 DDAERO C[C@H](CCCC[NH3+])Nc1cnn(C)c(=O)c1Br ZINC000336706992 249229949 /nfs/dbraw/zinc/22/99/49/249229949.db2.gz LQBYGZSVDCAPIM-MRVPVSSYSA-N 1 0 303.204 1.472 10 0 DDAERO C[NH2+]Cc1cccc(Br)c1O[C@H]1CCOC1=O ZINC000042411624 183265844 /nfs/dbraw/zinc/26/58/44/183265844.db2.gz XOARCKOVUKSRTC-JTQLQIEISA-N 1 0 300.152 1.863 10 0 DDAERO CS(=O)(=O)CCOc1c(Br)cccc1CC[NH3+] ZINC000042412712 183265956 /nfs/dbraw/zinc/26/59/56/183265956.db2.gz FSXIRAHUZFIICV-UHFFFAOYSA-N 1 0 322.224 1.374 10 0 DDAERO CNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1cccc(Br)c1 ZINC000042418965 183267699 /nfs/dbraw/zinc/26/76/99/183267699.db2.gz PDPMDGHCCVGWCT-MRVPVSSYSA-N 1 0 314.183 1.383 10 0 DDAERO COCCCN(CCOC)[C@@H](C[NH3+])c1cc(F)ccc1F ZINC000042420769 183267877 /nfs/dbraw/zinc/26/78/77/183267877.db2.gz TWEQYCZVXMNPAK-HNNXBMFYSA-N 1 0 302.365 1.950 10 0 DDAERO C[C@H]([NH3+])[C@@H](c1ccc(F)cc1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000042914724 183318655 /nfs/dbraw/zinc/31/86/55/183318655.db2.gz XZGLYKGVQXKSCW-GDLCADMTSA-N 1 0 300.399 1.333 10 0 DDAERO CNC(=O)CN(C)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042953060 183321733 /nfs/dbraw/zinc/32/17/33/183321733.db2.gz PICWOYMCIQJRNX-LLVKDONJSA-N 1 0 300.200 1.127 10 0 DDAERO CNC(=O)CN(C)[C@H](c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000043020465 183329059 /nfs/dbraw/zinc/32/90/59/183329059.db2.gz DSFXRFVSPRAHGH-ZANVPECISA-N 1 0 314.227 1.515 10 0 DDAERO C[C@@H]1c2ccsc2CCN1S(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000042782423 183309441 /nfs/dbraw/zinc/30/94/41/183309441.db2.gz PTYMMBILSGGHNK-MNOVXSKESA-N 1 0 300.449 1.749 10 0 DDAERO C[C@@H]1c2ccsc2CCN1C(=O)C(=O)N1CCC[NH2+]CC1 ZINC000042795828 183309889 /nfs/dbraw/zinc/30/98/89/183309889.db2.gz QPDLXXLQXUHAKE-LLVKDONJSA-N 1 0 307.419 1.016 10 0 DDAERO C[C@@H]([NH3+])[C@@H](c1cc(Br)cs1)N(CCO)CCO ZINC000043286311 183350936 /nfs/dbraw/zinc/35/09/36/183350936.db2.gz 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/nfs/dbraw/zinc/07/29/27/194072927.db2.gz MOHLWYOLJDDHKY-AWEZNQCLSA-N 1 0 304.394 1.470 10 0 DDAERO CO[C@H]1C[C@@H](CN(C)CC(=O)NCc2ccccc2C)[N@H+](C)C1 ZINC000284916415 218232389 /nfs/dbraw/zinc/23/23/89/218232389.db2.gz TZJBIOWMYXCLDZ-IRXDYDNUSA-N 1 0 319.449 1.262 10 0 DDAERO COc1ccccc1NC(=O)CN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000105821907 194137952 /nfs/dbraw/zinc/13/79/52/194137952.db2.gz PBIXQPYFYYYMMJ-UONOGXRCSA-N 1 0 321.421 1.021 10 0 DDAERO CCOC(=O)CCC[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000105804213 194131979 /nfs/dbraw/zinc/13/19/79/194131979.db2.gz AMLTVUJQEBIFER-AWEZNQCLSA-N 1 0 306.410 1.721 10 0 DDAERO C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105805097 194133697 /nfs/dbraw/zinc/13/36/97/194133697.db2.gz IMOCWHJEMLWVBY-LBPRGKRZSA-N 1 0 305.426 1.656 10 0 DDAERO COc1ccc(OCCN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1 ZINC000105821104 194135771 /nfs/dbraw/zinc/13/57/71/194135771.db2.gz SNPVCUGHNHAIOP-LSDHHAIUSA-N 1 0 308.422 1.461 10 0 DDAERO CC[C@@H]1C[N@H+](CCCOCC(F)(F)F)CCN1CCOC ZINC000105837262 194143871 /nfs/dbraw/zinc/14/38/71/194143871.db2.gz BTAWGFCUZSQZKY-CYBMUJFWSA-N 1 0 312.376 1.998 10 0 DDAERO CCOCC[N@@H+]1CCN(CC(=O)N[C@@H](C)C(C)C)C[C@@H]1CC ZINC000105837836 194144233 /nfs/dbraw/zinc/14/42/33/194144233.db2.gz MJLNHPNTJPVHCR-HOTGVXAUSA-N 1 0 313.486 1.580 10 0 DDAERO CCc1nccn1[C@@H]1CCC[N@H+](CC(=O)NCCCOC)C1 ZINC000105922607 194171553 /nfs/dbraw/zinc/17/15/53/194171553.db2.gz RDBTXJOUTYKFIN-CQSZACIVSA-N 1 0 308.426 1.235 10 0 DDAERO Cc1cccc(C)c1OC[C@H](O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000105904645 194167323 /nfs/dbraw/zinc/16/73/23/194167323.db2.gz LHGZNRBVWMOZOZ-IAGOWNOFSA-N 1 0 322.449 1.306 10 0 DDAERO C[NH+](C)C[C@H]1CN(CC(=O)Nc2cccc(Cl)c2)CCO1 ZINC000105925042 194171861 /nfs/dbraw/zinc/17/18/61/194171861.db2.gz KNTMJVLUSNYLLG-AWEZNQCLSA-N 1 0 311.813 1.541 10 0 DDAERO CNc1cc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)ccn1 ZINC000050671269 183797528 /nfs/dbraw/zinc/79/75/28/183797528.db2.gz YBSIJQUMXHWEIL-UHFFFAOYSA-N 1 0 312.439 1.086 10 0 DDAERO CC[C@@H](C[NH3+])N1CCN(c2ncccc2Br)CC1 ZINC000109454957 194265068 /nfs/dbraw/zinc/26/50/68/194265068.db2.gz BKOFFXYZNLIGCP-NSHDSACASA-N 1 0 313.243 1.703 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN(C(=O)c2ccccc2C)CC1 ZINC000109460385 194265589 /nfs/dbraw/zinc/26/55/89/194265589.db2.gz LYIIWKMGUKKCOG-CQSZACIVSA-N 1 0 305.447 1.818 10 0 DDAERO CCNC(=O)CCOc1ccc(Br)cc1CC[NH3+] ZINC000051761808 183836236 /nfs/dbraw/zinc/83/62/36/183836236.db2.gz WFXMWBGSUATNJI-UHFFFAOYSA-N 1 0 315.211 1.855 10 0 DDAERO CC[C@H](c1nc(-c2cccs2)cc(=O)[nH]1)N1CC[NH2+]CC1 ZINC000110476309 194333277 /nfs/dbraw/zinc/33/32/77/194333277.db2.gz IHWBQSMPACLDGX-GFCCVEGCSA-N 1 0 304.419 1.855 10 0 DDAERO C[C@@H](C(N)=S)[NH+]1CCN(c2cnnc3ccccc32)CC1 ZINC000110548479 194338227 /nfs/dbraw/zinc/33/82/27/194338227.db2.gz RQSMBICZTYTZCG-NSHDSACASA-N 1 0 301.419 1.426 10 0 DDAERO CC[C@H]1CN(S(=O)(=O)c2ccc([C@@H](C)[NH3+])cc2)CCN1C ZINC000110763491 194356291 /nfs/dbraw/zinc/35/62/91/194356291.db2.gz RKCFREXPVAXBRM-OCCSQVGLSA-N 1 0 311.451 1.421 10 0 DDAERO CC[C@@H]1CN(CC(=O)Nc2cc(N)ccc2Cl)CC[N@@H+]1C ZINC000110703612 194351953 /nfs/dbraw/zinc/35/19/53/194351953.db2.gz SXKZKYDOALWTCC-GFCCVEGCSA-N 1 0 310.829 1.887 10 0 DDAERO Cc1cc(C(=O)NC2CC[NH+](CC(N)=S)CC2)ccc1F ZINC000110825932 194361802 /nfs/dbraw/zinc/36/18/02/194361802.db2.gz XOOFQVFSZCLWFX-UHFFFAOYSA-N 1 0 309.410 1.614 10 0 DDAERO COc1ccc(C(=O)NC2CC[NH+](CC(N)=S)CC2)cc1 ZINC000110825718 194362451 /nfs/dbraw/zinc/36/24/51/194362451.db2.gz WQONIRFVIAWKOM-UHFFFAOYSA-N 1 0 307.419 1.176 10 0 DDAERO CC(C)NS(=O)(=O)c1ccccc1N(C)[C@H]1CCC[NH2+]C1 ZINC000110932752 194371157 /nfs/dbraw/zinc/37/11/57/194371157.db2.gz MQLMLNCMZTUTQO-ZDUSSCGKSA-N 1 0 311.451 1.562 10 0 DDAERO CC(C)NS(=O)(=O)c1ccc(N(C)[C@H]2CCC[NH2+]C2)cc1 ZINC000110933219 194371402 /nfs/dbraw/zinc/37/14/02/194371402.db2.gz DCHQVEYTEKNVJE-AWEZNQCLSA-N 1 0 311.451 1.562 10 0 DDAERO CCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(C)c(F)c1 ZINC000110941891 194371978 /nfs/dbraw/zinc/37/19/78/194371978.db2.gz NJZLLMSLOUVJKZ-GFCCVEGCSA-N 1 0 300.399 1.897 10 0 DDAERO CCN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000110941472 194372127 /nfs/dbraw/zinc/37/21/27/194372127.db2.gz ADBFABGKWMTNCE-ZDUSSCGKSA-N 1 0 310.419 1.384 10 0 DDAERO CC[NH2+][C@@H](C)c1ccc(C)cc1O[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000110960760 194374730 /nfs/dbraw/zinc/37/47/30/194374730.db2.gz IWANOMPNWNQNHQ-CORIIIEPSA-N 1 0 313.419 1.202 10 0 DDAERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCC2CCOCC2)cc1 ZINC000111179558 194399530 /nfs/dbraw/zinc/39/95/30/194399530.db2.gz HHQJDAGGPXKNFO-LBPRGKRZSA-N 1 0 312.435 1.672 10 0 DDAERO COC(=O)[C@](C)(CC[N@H+](C)CC1CCOCC1)NC(C)C ZINC000111170376 194398267 /nfs/dbraw/zinc/39/82/67/194398267.db2.gz PQPTYQQKFVDOSM-INIZCTEOSA-N 1 0 300.443 1.665 10 0 DDAERO CN(CC1CCOCC1)S(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000111178855 194399181 /nfs/dbraw/zinc/39/91/81/194399181.db2.gz FHJXCQUKAUDCOX-CQSZACIVSA-N 1 0 304.456 1.207 10 0 DDAERO CC[NH2+][C@@H](Cc1cc(Cl)ccc1OC)CS(C)(=O)=O ZINC000060706033 184154702 /nfs/dbraw/zinc/15/47/02/184154702.db2.gz POTPTFBKLHUBTN-LBPRGKRZSA-N 1 0 305.827 1.914 10 0 DDAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC000061232583 184166907 /nfs/dbraw/zinc/16/69/07/184166907.db2.gz RDWNRDCCFMFKGX-NSHDSACASA-N 1 0 313.423 1.087 10 0 DDAERO C[NH+](C)C[C@H]1CCCN1c1nc(Cl)nc(-n2ccnc2)n1 ZINC000061654793 184181083 /nfs/dbraw/zinc/18/10/83/184181083.db2.gz ZQGSYIFBIKNHSL-SNVBAGLBSA-N 1 0 307.789 1.241 10 0 DDAERO CC[C@@H](Oc1ccc(Br)cc1C[C@H](C)[NH3+])C(N)=O ZINC000061678370 184181868 /nfs/dbraw/zinc/18/18/68/184181868.db2.gz UXNSGWFNCPIHDC-GZMMTYOYSA-N 1 0 315.211 1.982 10 0 DDAERO C[C@H](Cc1ccc(F)cc1)NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000062037914 184203065 /nfs/dbraw/zinc/20/30/65/184203065.db2.gz NUTQVWNWGJPHKN-GFCCVEGCSA-N 1 0 314.426 1.676 10 0 DDAERO COCC[NH2+]Cc1ccc(OCC(N)=O)c(Br)c1 ZINC000062728170 184250544 /nfs/dbraw/zinc/25/05/44/184250544.db2.gz YRFRDCQMJQHCKK-UHFFFAOYSA-N 1 0 317.183 1.049 10 0 DDAERO COCC[NH2+]Cc1cc(Cl)c(O[C@H](C)C(N)=O)c(OC)c1 ZINC000062727874 184250768 /nfs/dbraw/zinc/25/07/68/184250768.db2.gz CMLSWSVAEVPGNR-SECBINFHSA-N 1 0 316.785 1.337 10 0 DDAERO COC(=O)C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]C1)c1cccs1 ZINC000062855546 184256469 /nfs/dbraw/zinc/25/64/69/184256469.db2.gz CQZSSWQPINLNMJ-ABAIWWIYSA-N 1 0 310.419 1.858 10 0 DDAERO CC[C@@]1(C(=O)Nc2ccccc2S(N)(=O)=O)CCC[NH2+]C1 ZINC000062858245 184256910 /nfs/dbraw/zinc/25/69/10/184256910.db2.gz NAJUHHNIZNPFGI-CQSZACIVSA-N 1 0 311.407 1.052 10 0 DDAERO CCC[C@@]1(C(=O)N2CCN(c3nccs3)CC2)CC[NH2+]C1 ZINC000062888757 184258371 /nfs/dbraw/zinc/25/83/71/184258371.db2.gz FBDITTKEMGFZKI-OAHLLOKOSA-N 1 0 308.451 1.572 10 0 DDAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)N1CCCc2ccccc2C1 ZINC000062946217 184261999 /nfs/dbraw/zinc/26/19/99/184261999.db2.gz SCWLIGCXDJIKNG-AWEZNQCLSA-N 1 0 308.447 1.764 10 0 DDAERO CC[C@@H](Oc1ccc(C[NH2+]C)cc1Br)C(N)=O ZINC000062700821 184247848 /nfs/dbraw/zinc/24/78/48/184247848.db2.gz 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ZINC000116787191 407775855 /nfs/dbraw/zinc/77/58/55/407775855.db2.gz GZFFHMJFIOTUKX-CQSZACIVSA-N 1 0 319.380 1.639 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)CCO1 ZINC000116793791 407780256 /nfs/dbraw/zinc/78/02/56/407780256.db2.gz AKWDPABRYYXKOL-IXXDHKBRSA-N 1 0 308.422 1.171 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)c2cc(-c3ccccc3)n[nH]2)CCO1 ZINC000116784320 407777721 /nfs/dbraw/zinc/77/77/21/407777721.db2.gz UFGTYHWQIAPGTR-AWEZNQCLSA-N 1 0 314.389 1.479 10 0 DDAERO CCc1ccccc1OCC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116796683 407779136 /nfs/dbraw/zinc/77/91/36/407779136.db2.gz BARYEMFSGONGRS-HNNXBMFYSA-N 1 0 306.406 1.417 10 0 DDAERO CC[C@H]1CN(C(=O)NCCOC(C)C)CC[N@@H+]1CCOC ZINC000186872373 407789565 /nfs/dbraw/zinc/78/95/65/407789565.db2.gz HIPVPEGHXFPPJY-AWEZNQCLSA-N 1 0 301.431 1.164 10 0 DDAERO CC[C@@H]1CN(C(=O)NCCOC(C)C)CC[N@@H+]1CCOC ZINC000186872358 407789607 /nfs/dbraw/zinc/78/96/07/407789607.db2.gz HIPVPEGHXFPPJY-CQSZACIVSA-N 1 0 301.431 1.164 10 0 DDAERO [NH3+]CC1(C(=O)Nc2ccc(-n3ccnc3)cc2)CCOCC1 ZINC000262296833 407788661 /nfs/dbraw/zinc/78/86/61/407788661.db2.gz PEQJHNHVJWJWQR-UHFFFAOYSA-N 1 0 300.362 1.566 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C ZINC000262326726 407800659 /nfs/dbraw/zinc/80/06/59/407800659.db2.gz GCYPJWPREVTEAQ-SECBINFHSA-N 1 0 305.300 1.684 10 0 DDAERO Cc1cccc(CCNC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000117041656 407806170 /nfs/dbraw/zinc/80/61/70/407806170.db2.gz MICJYXOGHBQBJQ-MRXNPFEDSA-N 1 0 305.422 1.510 10 0 DDAERO C[C@H](Cc1cccs1)NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117032809 407806391 /nfs/dbraw/zinc/80/63/91/407806391.db2.gz IZSVCGVDKGNFBF-OLZOCXBDSA-N 1 0 311.451 1.651 10 0 DDAERO CCc1nsc(N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000262367073 407814820 /nfs/dbraw/zinc/81/48/20/407814820.db2.gz XFGYSPYXIXGLAO-NWDGAFQWSA-N 1 0 323.466 1.185 10 0 DDAERO COC[C@H]([NH3+])C(=O)NCCc1nc2ccccc2n1C(C)C ZINC000262377540 407815972 /nfs/dbraw/zinc/81/59/72/407815972.db2.gz 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ZINC000262831920 407950658 /nfs/dbraw/zinc/95/06/58/407950658.db2.gz SBTWUSMWURVPPY-AWEZNQCLSA-N 1 0 316.409 1.202 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2)CC1 ZINC000118858590 407959140 /nfs/dbraw/zinc/95/91/40/407959140.db2.gz DSOSXRCSTOZYRH-GOEBONIOSA-N 1 0 305.422 1.402 10 0 DDAERO Cc1c(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cnn1C ZINC000118947352 407963949 /nfs/dbraw/zinc/96/39/49/407963949.db2.gz NVGAKFBDQMCTES-INIZCTEOSA-N 1 0 300.406 1.518 10 0 DDAERO COc1ccc(OC)c(CCC(=O)N2CC[NH2+][C@H](C)[C@H]2C)c1 ZINC000262908187 407966603 /nfs/dbraw/zinc/96/66/03/407966603.db2.gz YGFYHIYRIZKEPP-CHWSQXEVSA-N 1 0 306.406 1.845 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000174089660 407913522 /nfs/dbraw/zinc/91/35/22/407913522.db2.gz FLCDFPGQOXLUCG-CJNGLKHVSA-N 1 0 314.376 1.387 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000174095264 407914473 /nfs/dbraw/zinc/91/44/73/407914473.db2.gz NFGCIAZXJSZFTR-XJKSGUPXSA-N 1 0 314.376 1.387 10 0 DDAERO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2cccnc2)C1 ZINC000153853941 407917077 /nfs/dbraw/zinc/91/70/77/407917077.db2.gz DLOKVYDQLPEBPW-MRXNPFEDSA-N 1 0 313.405 1.583 10 0 DDAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)/C=C/c2ccc[nH]2)CC1 ZINC000188272051 407931551 /nfs/dbraw/zinc/93/15/51/407931551.db2.gz YXKNHFZCWCWGOP-GJBLVYBDSA-N 1 0 305.422 1.579 10 0 DDAERO Cc1cnn(C[C@@H]2CN(C(=O)[C@H]3CCCC[C@@]3(C)[NH3+])CCO2)c1 ZINC000263102480 408026951 /nfs/dbraw/zinc/02/69/51/408026951.db2.gz ZOEDQMYWLAWFGG-ZMSDIMECSA-N 1 0 320.437 1.327 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1c(C)nn(C)c1C ZINC000175044363 408036263 /nfs/dbraw/zinc/03/62/63/408036263.db2.gz QDKYXUVFYCTHGT-HUUCEWRRSA-N 1 0 304.438 1.665 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NC(C1CC1)C1CC1 ZINC000175043277 408036507 /nfs/dbraw/zinc/03/65/07/408036507.db2.gz LFCSAWUNFYFZRZ-HZPDHXFCSA-N 1 0 305.466 1.850 10 0 DDAERO C[C@H](Oc1cccc(CO)c1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245665979 408038917 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CCCC(=O)N1CCC(c2nc([C@H]3C[NH2+]CCN3C)no2)CC1 ZINC000263209171 408059625 /nfs/dbraw/zinc/05/96/25/408059625.db2.gz KCSHMDPVOAQPSJ-CYBMUJFWSA-N 1 0 321.425 1.152 10 0 DDAERO CCOc1cc(CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)ccc1OC ZINC000245757962 408062234 /nfs/dbraw/zinc/06/22/34/408062234.db2.gz PBKBMYFNIIEPKJ-GJZGRUSLSA-N 1 0 322.449 1.981 10 0 DDAERO Cc1ccc(OCc2nc([C@H]3C[NH2+]CCN3C)no2)cc1C ZINC000263240735 408071022 /nfs/dbraw/zinc/07/10/22/408071022.db2.gz OODIQWMFZKKMBY-CQSZACIVSA-N 1 0 302.378 1.842 10 0 DDAERO COc1cccc([C@H](C)c2nc([C@H]3C[NH2+]CCN3C)no2)c1 ZINC000263264740 408081859 /nfs/dbraw/zinc/08/18/59/408081859.db2.gz RKXIOCDXFJDYEH-SMDDNHRTSA-N 1 0 302.378 1.806 10 0 DDAERO C[C@@H]([NH2+]CC[C@@H]1CCOC1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000182197191 408088888 /nfs/dbraw/zinc/08/88/88/408088888.db2.gz KCNSAJPCIWEURL-DGCLKSJQSA-N 1 0 311.403 1.694 10 0 DDAERO COc1cc(-c2nc([C@H]3C[NH2+]CCN3C)no2)cc(OC)c1C ZINC000263287574 408090734 /nfs/dbraw/zinc/09/07/34/408090734.db2.gz VFHPYMRIKXUESQ-GFCCVEGCSA-N 1 0 318.377 1.638 10 0 DDAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cc(=O)[nH]c3ccccc32)n1 ZINC000263285300 408090947 /nfs/dbraw/zinc/09/09/47/408090947.db2.gz UWQZXCKSWDNYKF-CYBMUJFWSA-N 1 0 311.345 1.567 10 0 DDAERO CCCOc1c(CNC[C@@H]2C[NH2+]C[C@H]2O)cccc1OCC ZINC000263295408 408094912 /nfs/dbraw/zinc/09/49/12/408094912.db2.gz WEIGOVLXOASFNX-HUUCEWRRSA-N 1 0 308.422 1.544 10 0 DDAERO CN1CC[NH2+]C[C@H]1c1noc(CCc2nc3ccccc3[nH]2)n1 ZINC000263300711 408095250 /nfs/dbraw/zinc/09/52/50/408095250.db2.gz XAKJALHIPNCRLL-ZDUSSCGKSA-N 1 0 312.377 1.307 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCN1C(=O)NC2(CCCC2)C1=O ZINC000120032397 408115732 /nfs/dbraw/zinc/11/57/32/408115732.db2.gz AJGDICGYURLDAY-UONOGXRCSA-N 1 0 320.437 1.020 10 0 DDAERO C[C@H]1CCCN(c2cc(N3CC[N@@H+]4CCC[C@H]4C3)ncn2)C1 ZINC000246065375 408132609 /nfs/dbraw/zinc/13/26/09/408132609.db2.gz HKWACBPPYSLBIN-GJZGRUSLSA-N 1 0 301.438 1.997 10 0 DDAERO C[C@](O)(CN1CC[NH+](C2CCOCC2)CC1)c1ccccc1 ZINC000175492952 408145263 /nfs/dbraw/zinc/14/52/63/408145263.db2.gz VOZRAMDQYVOHRS-SFHVURJKSA-N 1 0 304.434 1.691 10 0 DDAERO CCO[C@@H]1C[C@H](NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C12CCC2 ZINC000246158117 408157645 /nfs/dbraw/zinc/15/76/45/408157645.db2.gz KPPJRVSPCKHMGK-SOUVJXGZSA-N 1 0 307.438 1.824 10 0 DDAERO CCc1cccc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000190073698 408160271 /nfs/dbraw/zinc/16/02/71/408160271.db2.gz XVZBDTAJHVFLIM-XJKSGUPXSA-N 1 0 315.417 1.883 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(OC)c(O)c(OC)c2)C1 ZINC000137947368 408161568 /nfs/dbraw/zinc/16/15/68/408161568.db2.gz VBNIDSJNNYLNOB-GFCCVEGCSA-N 1 0 308.378 1.624 10 0 DDAERO CC[C@H]1CN(C(=O)c2ccc(N(C)C)cc2)CC[N@@H+]1C[C@H](C)O ZINC000246189512 408169084 /nfs/dbraw/zinc/16/90/84/408169084.db2.gz SFVVDXVAFJQKSB-HOCLYGCPSA-N 1 0 319.449 1.670 10 0 DDAERO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000175605718 408172327 /nfs/dbraw/zinc/17/23/27/408172327.db2.gz VRUUYGDNSSEQRI-PVAVHDDUSA-N 1 0 302.418 1.848 10 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QIUBUHHILIHYDE-CQSZACIVSA-N 1 0 302.374 1.558 10 0 DDAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CCN1c2ccccc2CCC1=O ZINC000237987868 697815475 /nfs/dbraw/zinc/81/54/75/697815475.db2.gz UHOYKMZGVRWXMF-GJZGRUSLSA-N 1 0 315.417 1.600 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CN1C(=O)N[C@](C)(C(C)(C)C)C1=O ZINC000248719503 698379337 /nfs/dbraw/zinc/37/93/37/698379337.db2.gz DEJMKKOCHKZJSA-IGCXYCKISA-N 1 0 322.453 1.469 10 0 DDAERO C[NH2+][C@@H](C)CNC(=O)CN(Cc1cccnc1)c1ccccc1 ZINC000261649867 698430639 /nfs/dbraw/zinc/43/06/39/698430639.db2.gz DYGKSTVAJCGGLI-HNNXBMFYSA-N 1 0 312.417 1.812 10 0 DDAERO [NH3+][C@@H]1CC[C@H]2CN(c3ccc(S(=O)(=O)C(F)F)cc3)C[C@H]12 ZINC000261780848 698437386 /nfs/dbraw/zinc/43/73/86/698437386.db2.gz WWJNPTQQWUQGIJ-TVYUQYBPSA-N 1 0 316.373 1.856 10 0 DDAERO FC(F)(F)c1nnc2ccc(N3CC[C@@H]4[NH2+]CC[C@H]4C3)nn21 ZINC000262576838 698475541 /nfs/dbraw/zinc/47/55/41/698475541.db2.gz YJETZOJOHWSRLE-IUCAKERBSA-N 1 0 312.299 1.331 10 0 DDAERO CCn1cncc1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702766549 699232322 /nfs/dbraw/zinc/23/23/22/699232322.db2.gz OHSMMVXBPJVNMW-TZMCWYRMSA-N 1 0 324.425 1.220 10 0 DDAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+]Cc2cscn2)C1 ZINC000702837236 699233351 /nfs/dbraw/zinc/23/33/51/699233351.db2.gz IZQYYMWYULRQJY-PWSUYJOCSA-N 1 0 313.423 1.461 10 0 DDAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000702834772 699233378 /nfs/dbraw/zinc/23/33/78/699233378.db2.gz CMVVZURLRGNXLS-XQQFMLRXSA-N 1 0 316.467 1.699 10 0 DDAERO Cc1ccoc1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702849076 699234191 /nfs/dbraw/zinc/23/41/91/699234191.db2.gz ZZKSNTAIFLKDDG-OLZOCXBDSA-N 1 0 310.394 1.905 10 0 DDAERO Cc1cc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)on1 ZINC000702845548 699234270 /nfs/dbraw/zinc/23/42/70/699234270.db2.gz NONWLIROXLXHDD-AAEUAGOBSA-N 1 0 311.382 1.300 10 0 DDAERO C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000705680444 699241861 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COCCC1(C(=O)NCC[C@H]2CCCS2)CC[NH2+]CC1 ZINC000715995996 699279830 /nfs/dbraw/zinc/27/98/30/699279830.db2.gz YKIXJDXONGITDS-CYBMUJFWSA-N 1 0 300.468 1.795 10 0 DDAERO C[C@@H](COCc1ccccc1)NC(=O)c1c(C[NH3+])cnn1C ZINC000719214489 699299511 /nfs/dbraw/zinc/29/95/11/699299511.db2.gz YZVZSULBPCEZJN-LBPRGKRZSA-N 1 0 302.378 1.214 10 0 DDAERO C[C@@H](NS(=O)(=O)[C@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000722237916 699317017 /nfs/dbraw/zinc/31/70/17/699317017.db2.gz ZXHRTHVDSUINRS-KOLCDFICSA-N 1 0 304.362 1.697 10 0 DDAERO CN1C[C@H](C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1=O ZINC000723579527 699321415 /nfs/dbraw/zinc/32/14/15/699321415.db2.gz DZOWLBIBKQHFGW-RWMBFGLXSA-N 1 0 311.426 1.358 10 0 DDAERO C[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2F)C[C@H]1CC[NH3+] ZINC000723891404 699322680 /nfs/dbraw/zinc/32/26/80/699322680.db2.gz MTJVOYUYTDFFGL-GHMZBOCLSA-N 1 0 300.399 1.650 10 0 DDAERO CC(C)n1nccc1[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H](C)c1ncc[nH]1 ZINC000850475956 703732921 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CO[C@@H]1CC[NH+]([C@H]2CCC[C@H]2NC(=O)c2cnccc2C)C1 ZINC000888079021 709210836 /nfs/dbraw/zinc/21/08/36/709210836.db2.gz XJMKKIKBGVGCIB-BMFZPTHFSA-N 1 0 303.406 1.762 10 0 DDAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCN1CCc2ccccc2C1=O ZINC000888102774 709214099 /nfs/dbraw/zinc/21/40/99/709214099.db2.gz LNXWSYJAANAZOB-HIFRSBDPSA-N 1 0 315.417 1.189 10 0 DDAERO COC(=O)CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000908106120 712689133 /nfs/dbraw/zinc/68/91/33/712689133.db2.gz JAIODMQMQQAUHB-RHSMWYFYSA-N 1 0 304.390 1.749 10 0 DDAERO CC(C)N1CC[C@H]([N@@H+]2CC[C@@H](n3cc(C4CC4)nn3)C2)C1=O ZINC000931119549 714007038 /nfs/dbraw/zinc/00/70/38/714007038.db2.gz HNYLIVPGISYMTC-HIFRSBDPSA-N 1 0 303.410 1.412 10 0 DDAERO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(=O)oc3)cc2)CC1 ZINC000074725930 185013443 /nfs/dbraw/zinc/01/34/43/185013443.db2.gz BJOMUDVXTYBNLD-UHFFFAOYSA-N 1 0 313.357 1.644 10 0 DDAERO [NH3+][C@H]1c2ccccc2OC[C@@H]1Sc1n[nH]c(=O)n1C1CC1 ZINC000081880157 192334238 /nfs/dbraw/zinc/33/42/38/192334238.db2.gz VYIKBZOYYXVEQU-RYUDHWBXSA-N 1 0 304.375 1.459 10 0 DDAERO C[NH2+][C@@H]1CCOC[C@H]1Sc1ccc(S(C)(=O)=O)cc1 ZINC000081892274 192334347 /nfs/dbraw/zinc/33/43/47/192334347.db2.gz ZBEPLQFPHCOTIH-CHWSQXEVSA-N 1 0 301.433 1.559 10 0 DDAERO C[NH2+][C@H]1CCOC[C@@H]1S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000081935938 192342339 /nfs/dbraw/zinc/34/23/39/192342339.db2.gz LZVZLJWWRBEVIL-RYUDHWBXSA-N 1 0 323.336 1.856 10 0 DDAERO CC(C)[C@@H]1CCCN(C2(C[NH3+])CCS(=O)(=O)CC2)CC1 ZINC000079306286 185164194 /nfs/dbraw/zinc/16/41/94/185164194.db2.gz BFPBUMUMMYCIBJ-CQSZACIVSA-N 1 0 302.484 1.651 10 0 DDAERO CCC[C@H]1CCCN(S(=O)(=O)N2CCC[NH2+]CC2)CC1 ZINC000079348512 185165786 /nfs/dbraw/zinc/16/57/86/185165786.db2.gz CUVOSUWLBHVWSC-AWEZNQCLSA-N 1 0 303.472 1.429 10 0 DDAERO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc2[nH][nH]c(=O)c2c1 ZINC000614726129 361994154 /nfs/dbraw/zinc/99/41/54/361994154.db2.gz XAWQZSWBAFYFIP-AAEUAGOBSA-N 1 0 314.389 1.967 10 0 DDAERO CC(C)([NH3+])C(C)(C)C(=O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000087627771 185229628 /nfs/dbraw/zinc/22/96/28/185229628.db2.gz KVQBOOIKKKDQHE-SNVBAGLBSA-N 1 0 309.376 1.750 10 0 DDAERO CCN(C(=O)[C@H](C)CCC[C@@H](C)[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000087695582 185230633 /nfs/dbraw/zinc/23/06/33/185230633.db2.gz BAERGCLKFNCKRC-UPJWGTAASA-N 1 0 304.456 1.176 10 0 DDAERO C[C@H](C[NH3+])[S@](=O)CCOc1cccc(Br)c1 ZINC000088067684 185238560 /nfs/dbraw/zinc/23/85/60/185238560.db2.gz OPPFQGNLYLBNBS-ABKXIKBNSA-N 1 0 306.225 1.924 10 0 DDAERO C[C@H](C[NH3+])[S@@](=O)CCOc1cccc(Br)c1 ZINC000088067682 185238711 /nfs/dbraw/zinc/23/87/11/185238711.db2.gz OPPFQGNLYLBNBS-JDNHERCYSA-N 1 0 306.225 1.924 10 0 DDAERO COc1ccc(CN(C)[C@H]2CCC[N@H+](C)C2)cc1C(N)=S ZINC000087832629 185232914 /nfs/dbraw/zinc/23/29/14/185232914.db2.gz SPJDGLDUIXKABT-ZDUSSCGKSA-N 1 0 307.463 1.855 10 0 DDAERO CC[C@@H]1CO[C@H](C)CN1c1nc(NN)[nH+]cc1Br ZINC000087864295 185233904 /nfs/dbraw/zinc/23/39/04/185233904.db2.gz XWENWCUIRZIPGX-HTQZYQBOSA-N 1 0 316.203 1.528 10 0 DDAERO [NH3+][C@@]1(C(=O)Nc2c(F)cc(Br)cc2F)CCOC1 ZINC000088168517 185240912 /nfs/dbraw/zinc/24/09/12/185240912.db2.gz HMTVRZVYAAXEOD-NSHDSACASA-N 1 0 321.121 1.784 10 0 DDAERO C[N@@H+]1CCCC[C@@H]1COc1nc(Cl)nc(N2CCCC2)n1 ZINC000088165561 185240934 /nfs/dbraw/zinc/24/09/34/185240934.db2.gz XAQSSCODFBBVLD-LLVKDONJSA-N 1 0 311.817 1.988 10 0 DDAERO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)Cn1cc(Br)cn1 ZINC000088397797 185248328 /nfs/dbraw/zinc/24/83/28/185248328.db2.gz HJTBSVHJLQRCET-STQMWFEESA-N 1 0 310.195 1.577 10 0 DDAERO O=S(=O)(N1CC[NH2+]CC12CCCCC2)N1CCCCCC1 ZINC000088396225 185248330 /nfs/dbraw/zinc/24/83/30/185248330.db2.gz YIHVCCVIUPCDOQ-UHFFFAOYSA-N 1 0 315.483 1.715 10 0 DDAERO CC[C@@]1(C(=O)Nc2cnc(Br)cn2)CCC[NH2+]C1 ZINC000088446352 185251331 /nfs/dbraw/zinc/25/13/31/185251331.db2.gz DSGFZYMNBTWZHW-GFCCVEGCSA-N 1 0 313.199 1.957 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCOC(C)(C)C2)o1 ZINC000088543951 185256861 /nfs/dbraw/zinc/25/68/61/185256861.db2.gz VJXQKWJBMXJQIN-UHFFFAOYSA-N 1 0 302.396 1.189 10 0 DDAERO CC[C@H](COC)NS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088551322 185257355 /nfs/dbraw/zinc/25/73/55/185257355.db2.gz YCBAHOIKTBEWQN-LLVKDONJSA-N 1 0 304.412 1.481 10 0 DDAERO Cn1ncnc1C[C@@H](C[NH3+])Cc1ccccc1Br ZINC000088582977 185258402 /nfs/dbraw/zinc/25/84/02/185258402.db2.gz NHBABYCUUKJXSO-JTQLQIEISA-N 1 0 309.211 1.938 10 0 DDAERO Cc1cc(C)c2c(N)c(C(=O)N3CCC[NH2+]CC3)sc2n1 ZINC000088641220 185260650 /nfs/dbraw/zinc/26/06/50/185260650.db2.gz OKSMEKYVAKZIKT-UHFFFAOYSA-N 1 0 304.419 1.931 10 0 DDAERO CC(C)C[NH2+]CCc1nnc([C@@H]2CCS(=O)(=O)C2)s1 ZINC000088824054 185266571 /nfs/dbraw/zinc/26/65/71/185266571.db2.gz YGHWXJMLXUQFFW-SNVBAGLBSA-N 1 0 303.453 1.228 10 0 DDAERO Cc1ccc([C@H](C)NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)o1 ZINC000245920436 539268867 /nfs/dbraw/zinc/26/88/67/539268867.db2.gz XOWDGKOAJJFOKS-DYEKYZERSA-N 1 0 309.410 1.746 10 0 DDAERO Cc1ccc(S(=O)(=O)N2CCC([NH+](C)C)CC2)cc1CO ZINC000088883974 185268573 /nfs/dbraw/zinc/26/85/73/185268573.db2.gz GTZQXGDLITUIIS-UHFFFAOYSA-N 1 0 312.435 1.202 10 0 DDAERO CCCN(Cc1cc(=O)n2cc(Cl)ccc2n1)C1C[NH2+]C1 ZINC000090293898 185289814 /nfs/dbraw/zinc/28/98/14/185289814.db2.gz FUKUZXNSBCHFLX-UHFFFAOYSA-N 1 0 306.797 1.532 10 0 DDAERO Clc1ccc(OCCCN2CC(N3CC[NH2+]CC3)C2)cc1 ZINC000090309305 185290434 /nfs/dbraw/zinc/29/04/34/185290434.db2.gz QDRYMELSGLEGRE-UHFFFAOYSA-N 1 0 309.841 1.698 10 0 DDAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1c(F)cccc1F ZINC000090331875 185291553 /nfs/dbraw/zinc/29/15/53/185291553.db2.gz GQJGPBBNHSXICB-GBIKHYSHSA-N 1 0 316.373 1.583 10 0 DDAERO CC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000090489351 185298820 /nfs/dbraw/zinc/29/88/20/185298820.db2.gz SPKMHPCKNGNTQU-JQWIXIFHSA-N 1 0 311.769 1.002 10 0 DDAERO CN(Cc1ccc(Br)cc1)C(=O)[C@@H]1COC[C@@H]1[NH3+] ZINC000090381710 185293411 /nfs/dbraw/zinc/29/34/11/185293411.db2.gz JZKHWABBOJBTNW-NEPJUHHUSA-N 1 0 313.195 1.381 10 0 DDAERO CN(Cc1cccc(Br)c1)C(=O)[C@@H]1COC[C@H]1[NH3+] ZINC000090383134 185293827 /nfs/dbraw/zinc/29/38/27/185293827.db2.gz IKGIBIJZUMDWRM-VXGBXAGGSA-N 1 0 313.195 1.381 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(F)cc1Br ZINC000090432152 185296005 /nfs/dbraw/zinc/29/60/05/185296005.db2.gz YTSDXGOSQBPFRP-LDYMZIIASA-N 1 0 317.158 1.761 10 0 DDAERO C[C@@]1(C(=O)Nc2ccc(Br)c(F)c2)COC[C@@H]1[NH3+] ZINC000090605876 185306303 /nfs/dbraw/zinc/30/63/03/185306303.db2.gz YQCUOXVFRPGRMN-CMPLNLGQSA-N 1 0 317.158 1.891 10 0 DDAERO Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1[C@H](C)C[NH2+]C(C)C ZINC000092320388 185312176 /nfs/dbraw/zinc/31/21/76/185312176.db2.gz JNQWLKRBROORII-RISCZKNCSA-N 1 0 313.467 1.961 10 0 DDAERO CN(C)S(=O)(=O)N1CCCSC[C@H]1C[NH+]1CCCCC1 ZINC000090701843 185310462 /nfs/dbraw/zinc/31/04/62/185310462.db2.gz PCMAJHIEMCPHDY-CYBMUJFWSA-N 1 0 321.512 1.086 10 0 DDAERO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@H](C)C[NH2+]C(C)C ZINC000092320387 185312100 /nfs/dbraw/zinc/31/21/00/185312100.db2.gz JNQWLKRBROORII-BXUZGUMPSA-N 1 0 313.467 1.961 10 0 DDAERO Cc1noc(C)c1[C@@H](C)NS(=O)(=O)[C@H](C)C[NH2+]C(C)C ZINC000092344105 185313215 /nfs/dbraw/zinc/31/32/15/185313215.db2.gz PXPKAULQTLMHHE-MWLCHTKSSA-N 1 0 303.428 1.658 10 0 DDAERO Cc1nn(CCS(C)(=O)=O)c(C)c1[C@H](C)C[NH2+]C(C)C ZINC000092323480 185312235 /nfs/dbraw/zinc/31/22/35/185312235.db2.gz FOISMMWBLQMIJU-LLVKDONJSA-N 1 0 301.456 1.646 10 0 DDAERO Cc1noc(C)c1CNS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000092339712 185312890 /nfs/dbraw/zinc/31/28/90/185312890.db2.gz JAWDADDXWSNUFP-VIFPVBQESA-N 1 0 309.391 1.790 10 0 DDAERO CCC(CC)[C@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N1CCOCC1 ZINC000173574284 282250165 /nfs/dbraw/zinc/25/01/65/282250165.db2.gz RUZJMKZMXFTSNA-IAGOWNOFSA-N 1 0 323.481 1.430 10 0 DDAERO [NH3+]C1CCN(CC(=O)N[C@@H]2CCSc3ccccc32)CC1 ZINC000092713763 185335726 /nfs/dbraw/zinc/33/57/26/185335726.db2.gz YZGXFIPPUUXAGC-CQSZACIVSA-N 1 0 305.447 1.763 10 0 DDAERO Cc1c(CO)cccc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000092678304 185333551 /nfs/dbraw/zinc/33/35/51/185333551.db2.gz HTHMEORBRHLQDV-CQSZACIVSA-N 1 0 312.435 1.202 10 0 DDAERO Cc1nn(C)c(C)c1CN1CC[NH+](C[C@@H]2CC[C@H](C)O2)CC1 ZINC000188577795 282260146 /nfs/dbraw/zinc/26/01/46/282260146.db2.gz KBXZHVNNCIKVRL-BBRMVZONSA-N 1 0 306.454 1.722 10 0 DDAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](S(=O)(=O)C1CCOCC1)C2 ZINC000092859299 185346967 /nfs/dbraw/zinc/34/69/67/185346967.db2.gz DBWGFOANEJOQTE-CABCVRRESA-N 1 0 311.403 1.214 10 0 DDAERO CCC1CCC(C[NH3+])(NS(=O)(=O)c2cn(CC)cn2)CC1 ZINC000092889761 185348134 /nfs/dbraw/zinc/34/81/34/185348134.db2.gz IQXKKCFRUHLWOY-UHFFFAOYSA-N 1 0 314.455 1.479 10 0 DDAERO Cc1nn(C)c2ncc(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3C)cc12 ZINC000247413231 282287130 /nfs/dbraw/zinc/28/71/30/282287130.db2.gz QGOHROOTDSNWEA-RISCZKNCSA-N 1 0 313.405 1.585 10 0 DDAERO CC[NH+](CC)CCCCNC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000156236247 290709459 /nfs/dbraw/zinc/70/94/59/290709459.db2.gz LKOSMSKVEFOALQ-CYBMUJFWSA-N 1 0 309.410 1.636 10 0 DDAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000183202399 199553756 /nfs/dbraw/zinc/55/37/56/199553756.db2.gz NLCGWCNEURHVAD-COPLHBTASA-N 1 0 305.378 1.270 10 0 DDAERO Cn1cnc(S(=O)(=O)N(CCC[NH3+])c2ccccc2F)c1 ZINC000052095800 190683352 /nfs/dbraw/zinc/68/33/52/190683352.db2.gz MOUHRJNQQWHMMB-UHFFFAOYSA-N 1 0 312.370 1.103 10 0 DDAERO C[C@H]1[C@@H]([NH3+])CCN1c1ncc(I)cn1 ZINC000306230654 282403733 /nfs/dbraw/zinc/40/37/33/282403733.db2.gz KQSDFKZTPORGNN-XPUUQOCRSA-N 1 0 304.135 1.007 10 0 DDAERO [NH3+]CCc1c(-n2cc(Br)cn2)nc2sccn12 ZINC000111514324 185610509 /nfs/dbraw/zinc/61/05/09/185610509.db2.gz ZGFRLLJLLIZSFP-UHFFFAOYSA-N 1 0 312.196 1.845 10 0 DDAERO CCC[NH2+][C@@H](C)[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 ZINC000111713548 185629014 /nfs/dbraw/zinc/62/90/14/185629014.db2.gz FWTJYWJIVYLAMI-STQMWFEESA-N 1 0 314.455 1.209 10 0 DDAERO CCC[NH2+][C@H](C)[C@H]1CCCCN1S(=O)(=O)N(CC)CC ZINC000111715655 185629577 /nfs/dbraw/zinc/62/95/77/185629577.db2.gz BORYXBKXRNBGAS-ZIAGYGMSSA-N 1 0 305.488 1.816 10 0 DDAERO CC[NH2+][C@H](C)C1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000111717457 185630438 /nfs/dbraw/zinc/63/04/38/185630438.db2.gz USCCMRJPHGXQSU-GFCCVEGCSA-N 1 0 311.451 1.548 10 0 DDAERO COc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc1Br ZINC000234914658 201910760 /nfs/dbraw/zinc/91/07/60/201910760.db2.gz RDGKYFPKCDVZDT-KCJUWKMLSA-N 1 0 313.195 1.877 10 0 DDAERO Cc1ccc(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c2cccnc12 ZINC000235735851 201921196 /nfs/dbraw/zinc/92/11/96/201921196.db2.gz DFKPEMSPAIKGJU-AAEUAGOBSA-N 1 0 305.403 1.511 10 0 DDAERO Cc1[nH]c(=O)ccc1C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000119216225 185708685 /nfs/dbraw/zinc/70/86/85/185708685.db2.gz IHZXEMZRCOVORF-GFCCVEGCSA-N 1 0 321.421 1.260 10 0 DDAERO CC(C)(C)OC(=O)Nc1ccc([C@H]2C[NH2+]CCN2CCO)cc1 ZINC000616637197 362764823 /nfs/dbraw/zinc/76/48/23/362764823.db2.gz SLDPXTOLHULKLM-OAHLLOKOSA-N 1 0 321.421 1.972 10 0 DDAERO CCC[C@@H](C(=O)Nc1cc(CSCCO)ccn1)[NH+](C)C ZINC000162066353 290792366 /nfs/dbraw/zinc/79/23/66/290792366.db2.gz ZWQZGWPPWSDEAQ-ZDUSSCGKSA-N 1 0 311.451 1.976 10 0 DDAERO CCc1nc(S(=O)(=O)N(C)C2(C[NH3+])CCC(C)CC2)c[nH]1 ZINC000070418189 190888176 /nfs/dbraw/zinc/88/81/76/190888176.db2.gz FOXVLEXLDDNXIB-UHFFFAOYSA-N 1 0 314.455 1.500 10 0 DDAERO C[NH2+]Cc1cccc(Br)c1O[C@@H]1CCN(C)C1=O ZINC000071183040 190937913 /nfs/dbraw/zinc/93/79/13/190937913.db2.gz BWQAGZXQPDCPCW-LLVKDONJSA-N 1 0 313.195 1.778 10 0 DDAERO CCCN(c1ccc(S(N)(=O)=O)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000071391253 190965555 /nfs/dbraw/zinc/96/55/55/190965555.db2.gz ACVMHAQSOZTDJV-LLVKDONJSA-N 1 0 315.414 1.442 10 0 DDAERO CC[NH2+][C@@H](C[S@@](=O)CCOC)c1ccc2c(c1)OCCO2 ZINC000084035417 192396947 /nfs/dbraw/zinc/39/69/47/192396947.db2.gz FIGAHFRDPZSKGX-YEJXKQKISA-N 1 0 313.419 1.504 10 0 DDAERO NNc1ccc(C(=O)Nc2cnc(Br)cn2)c[nH+]1 ZINC000083891654 192389037 /nfs/dbraw/zinc/38/90/37/192389037.db2.gz ALUXEGNVCANRSD-UHFFFAOYSA-N 1 0 309.127 1.172 10 0 DDAERO [NH3+]C[C@@H]1c2cccc(Cl)c2CN1CCCN1CCOCC1 ZINC000071683242 191007002 /nfs/dbraw/zinc/00/70/02/191007002.db2.gz LFTQTQVEZPYLRL-MRXNPFEDSA-N 1 0 309.841 1.878 10 0 DDAERO COCCCN1Cc2c(cc(OC)c(OC)c2OC)[C@@H]1C[NH3+] ZINC000071684658 191008507 /nfs/dbraw/zinc/00/85/07/191008507.db2.gz FOZWSXUDVCCOJR-ZDUSSCGKSA-N 1 0 310.394 1.564 10 0 DDAERO COc1cc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)ccc1Br ZINC000149172774 186048007 /nfs/dbraw/zinc/04/80/07/186048007.db2.gz DKMIEFYDCLZIEI-SCZZXKLOSA-N 1 0 315.167 1.119 10 0 DDAERO CCN(C)C(=O)c1cccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000171471428 186165516 /nfs/dbraw/zinc/16/55/16/186165516.db2.gz NEVIWBBBIFVQNK-INIZCTEOSA-N 1 0 315.417 1.699 10 0 DDAERO Cc1nc2c(cnn2C)c(N2CC[NH+](C[Si](C)(C)C)CC2)n1 ZINC000171746492 197978937 /nfs/dbraw/zinc/97/89/37/197978937.db2.gz ZUSPHHMFVQDKTM-UHFFFAOYSA-N 1 0 318.501 1.671 10 0 DDAERO COc1ccccc1CCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171898167 198004428 /nfs/dbraw/zinc/00/44/28/198004428.db2.gz FIYLKMUNIPSZDD-HNNXBMFYSA-N 1 0 303.406 1.727 10 0 DDAERO CC[C@@H]1CN(C(=O)Cc2c(C)n[nH]c2C)CC[N@@H+]1CCOC ZINC000172309688 198076638 /nfs/dbraw/zinc/07/66/38/198076638.db2.gz LGDLSUGXGVMVFE-CQSZACIVSA-N 1 0 308.426 1.138 10 0 DDAERO C[C@@H](C(=O)NCC[NH+](C)C)n1nc(-c2ccccc2)ccc1=O ZINC000044390548 352385169 /nfs/dbraw/zinc/38/51/69/352385169.db2.gz AILMHLPIETTZAJ-ZDUSSCGKSA-N 1 0 314.389 1.149 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1cccc2c1OCO2 ZINC000052524618 352614472 /nfs/dbraw/zinc/61/44/72/352614472.db2.gz WMEVDERMLJVYJU-LBPRGKRZSA-N 1 0 307.394 1.945 10 0 DDAERO CNc1cc(N2CCC[C@H]2CNC(=O)C(F)(F)F)ncn1 ZINC000173417059 198212263 /nfs/dbraw/zinc/21/22/63/198212263.db2.gz RQUUXYQXDAZJTE-QMMMGPOBSA-N 1 0 303.288 1.166 10 0 DDAERO COCCOCc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)ccc1F ZINC000173500069 198221470 /nfs/dbraw/zinc/22/14/70/198221470.db2.gz NYGSGVDDJKLHKX-HNNXBMFYSA-N 1 0 324.396 1.765 10 0 DDAERO c1ccc(C[N@H+]2CCCC[C@@H]2CNc2ccc3nnnn3n2)cc1 ZINC000067384730 353046156 /nfs/dbraw/zinc/04/61/56/353046156.db2.gz FSGULAYDACFIGD-OAHLLOKOSA-N 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CCS(=O)(=O)[C@H]1CSCCN1CCC(C)(C)C(N)=[NH2+] ZINC000090927198 192950425 /nfs/dbraw/zinc/95/04/25/192950425.db2.gz USFWVSHZTVYGJE-JTQLQIEISA-N 1 0 307.485 1.148 10 0 DDAERO C[C@@H](C(=O)Nc1cc(Cl)ccc1N)[N@H+](C)CC1CC(O)C1 ZINC000091451298 193058689 /nfs/dbraw/zinc/05/86/89/193058689.db2.gz PSEUFBGCVWHOAP-BMQDGWLCSA-N 1 0 311.813 1.952 10 0 DDAERO CCC[NH2+]Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1C1CC1 ZINC000091337278 193043278 /nfs/dbraw/zinc/04/32/78/193043278.db2.gz XGKVTGNYESEEQO-OAHLLOKOSA-N 1 0 311.451 1.794 10 0 DDAERO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2c(N)cccc2Cl)C1 ZINC000091392533 193050435 /nfs/dbraw/zinc/05/04/35/193050435.db2.gz YOIIBELSNPJGOJ-JTQLQIEISA-N 1 0 317.842 1.637 10 0 DDAERO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(CO)cc2)C1 ZINC000091431575 193055091 /nfs/dbraw/zinc/05/50/91/193055091.db2.gz CXFDGTNEPJVGJJ-OAHLLOKOSA-N 1 0 312.435 1.035 10 0 DDAERO Cc1ccc(CNC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)c(C)c1 ZINC000261901977 203146735 /nfs/dbraw/zinc/14/67/35/203146735.db2.gz 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/nfs/dbraw/zinc/93/25/30/182932530.db2.gz BNHSUCXCFBKUPC-ZDUSSCGKSA-N 1 0 302.415 1.373 10 0 DDAERO CC(=O)c1cccc(S(=O)(=O)NCC2CC[NH+](C)CC2)c1 ZINC000038572963 183002808 /nfs/dbraw/zinc/00/28/08/183002808.db2.gz ROMILBXANGABJF-UHFFFAOYSA-N 1 0 310.419 1.509 10 0 DDAERO C[NH+]1CCC(CNC(=O)Cn2c3ccccc3oc2=O)CC1 ZINC000038572899 183002945 /nfs/dbraw/zinc/00/29/45/183002945.db2.gz VFGZIAQKMCFCQA-UHFFFAOYSA-N 1 0 303.362 1.053 10 0 DDAERO CCn1cc([C@H]2OCC[C@@H]2NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000333658931 249060468 /nfs/dbraw/zinc/06/04/68/249060468.db2.gz WTAZYGYZNLSKFK-CBBWQLFWSA-N 1 0 321.425 1.302 10 0 DDAERO C[C@H](NC(=O)CNC(=O)C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000040807580 183136938 /nfs/dbraw/zinc/13/69/38/183136938.db2.gz YGYINLYHGSGNBW-ZETCQYMHSA-N 1 0 304.177 1.246 10 0 DDAERO CCOC(=O)c1cccc(Nc2nc[nH+]c(NN(C)C)c2N)c1 ZINC000040760085 183130241 /nfs/dbraw/zinc/13/02/41/183130241.db2.gz NZUQGTJDWKICGB-UHFFFAOYSA-N 1 0 316.365 1.868 10 0 DDAERO Nc1cc(N)[nH+]c(S[C@@H]2CS(=O)(=O)c3ccccc32)n1 ZINC000041023971 183157453 /nfs/dbraw/zinc/15/74/53/183157453.db2.gz QKGCTVFYZJEOBK-MRVPVSSYSA-N 1 0 308.388 1.262 10 0 DDAERO CC[NH2+][C@@H](C)c1cccc(NC(=O)NCCS(C)(=O)=O)c1 ZINC000041707460 183218290 /nfs/dbraw/zinc/21/82/90/183218290.db2.gz HJTHABLDUMZEOU-NSHDSACASA-N 1 0 313.423 1.523 10 0 DDAERO CCC[N@H+](CCCC[C@](C)(NC)C(=O)OC)CCN(C)C ZINC000041675160 183215174 /nfs/dbraw/zinc/21/51/74/183215174.db2.gz ZGUAWHVOQLBRHN-INIZCTEOSA-N 1 0 301.475 1.581 10 0 DDAERO CC(C)[N@H+](CCC(=O)Nc1ccc(N)cc1Cl)CC(N)=O ZINC000042427913 183269636 /nfs/dbraw/zinc/26/96/36/183269636.db2.gz RWNWLCMJSLWXJD-UHFFFAOYSA-N 1 0 312.801 1.447 10 0 DDAERO COC[C@@H](O)C[N@H+](C)CCC(=O)Nc1ccc(Cl)cc1N ZINC000042483142 183275513 /nfs/dbraw/zinc/27/55/13/183275513.db2.gz VTABFNWVMPFEMN-NSHDSACASA-N 1 0 315.801 1.190 10 0 DDAERO C[C@@H]1CC[C@@H](C(N)=O)CN1[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000043253778 183348064 /nfs/dbraw/zinc/34/80/64/183348064.db2.gz SLYWBCVNXNKRQR-BBBLOLIVSA-N 1 0 301.843 1.987 10 0 DDAERO C[C@@H]([NH3+])[C@@H](c1cc(Br)cs1)N1CCNC(=O)C1 ZINC000043284514 183350889 /nfs/dbraw/zinc/35/08/89/183350889.db2.gz JDNSPLCDGKNUQB-HQJQHLMTSA-N 1 0 318.240 1.331 10 0 DDAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Br)N(C)CC(N)=O ZINC000043091453 183336136 /nfs/dbraw/zinc/33/61/36/183336136.db2.gz CFKDQLRVDGHTLR-PELKAZGASA-N 1 0 300.200 1.255 10 0 DDAERO C[NH2+]CCC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000043604160 183375323 /nfs/dbraw/zinc/37/53/23/183375323.db2.gz XWCATODZHOEZJF-UHFFFAOYSA-N 1 0 305.787 1.260 10 0 DDAERO CC(C)[NH2+]CCCS(=O)(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000043428328 183361413 /nfs/dbraw/zinc/36/14/13/183361413.db2.gz GXUBZVSOWHUTRX-KBPBESRZSA-N 1 0 304.456 1.348 10 0 DDAERO [NH3+]CCc1ccc(S(=O)(=O)NCc2ccccc2F)cc1 ZINC000044594308 183425501 /nfs/dbraw/zinc/42/55/01/183425501.db2.gz OBRPUYQVUZCHJC-UHFFFAOYSA-N 1 0 308.378 1.805 10 0 DDAERO O=C(NCCCNc1ccccn1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105142966 194079330 /nfs/dbraw/zinc/07/93/30/194079330.db2.gz POQJGAPNTIJCTQ-HNNXBMFYSA-N 1 0 317.437 1.763 10 0 DDAERO CC(C)CCc1noc(CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)n1 ZINC000105824569 194137237 /nfs/dbraw/zinc/13/72/37/194137237.db2.gz OQNBGYLLTVJGTG-UONOGXRCSA-N 1 0 310.442 1.545 10 0 DDAERO CC[C@@H]1CN(Cc2ccc(C(=O)OC)o2)CC[N@@H+]1C[C@@H](C)O ZINC000105824962 194138454 /nfs/dbraw/zinc/13/84/54/194138454.db2.gz ZXTLFBGEYOSJEA-CHWSQXEVSA-N 1 0 310.394 1.343 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2nnc(C)n2C2CC2)C[C@H]1CC ZINC000105838598 194144044 /nfs/dbraw/zinc/14/40/44/194144044.db2.gz UIMRDQFKLAKCDC-OAHLLOKOSA-N 1 0 321.469 1.854 10 0 DDAERO CCCCNC(=O)[C@@H](C)N1CC[N@H+](CCOCC)[C@H](CC)C1 ZINC000105838125 194144729 /nfs/dbraw/zinc/14/47/29/194144729.db2.gz RATZRSRXSWKZTM-HZPDHXFCSA-N 1 0 313.486 1.724 10 0 DDAERO Cc1cccc2nc(C[N@@H+]3CCC[C@@H](n4cncn4)C3)cc(=O)n12 ZINC000105898254 194165280 /nfs/dbraw/zinc/16/52/80/194165280.db2.gz SJUKHDIMOFYKPQ-OAHLLOKOSA-N 1 0 324.388 1.432 10 0 DDAERO CC(C)COC[C@H](O)C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105902050 194166782 /nfs/dbraw/zinc/16/67/82/194166782.db2.gz VFGWPQQGPCJVLU-OAHLLOKOSA-N 1 0 308.426 1.022 10 0 DDAERO O=S(=O)(Nc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000049641669 183750324 /nfs/dbraw/zinc/75/03/24/183750324.db2.gz KITNZKURKFCMOQ-UHFFFAOYSA-N 1 0 319.224 1.943 10 0 DDAERO CC(C)n1nccc1NS(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000049640734 183750157 /nfs/dbraw/zinc/75/01/57/183750157.db2.gz IXQPGTGZUMABNI-LBPRGKRZSA-N 1 0 300.428 1.738 10 0 DDAERO COc1ccc(C)cc1CN1CC[NH+]([C@@H](C)C(N)=S)CC1 ZINC000109468456 194266642 /nfs/dbraw/zinc/26/66/42/194266642.db2.gz REJVBLZLGAPGSQ-ZDUSSCGKSA-N 1 0 307.463 1.796 10 0 DDAERO CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N[C@@H]2CCCOC2)c1 ZINC000109550547 194272741 /nfs/dbraw/zinc/27/27/41/194272741.db2.gz XALSADHCIJYVGW-GXTWGEPZSA-N 1 0 312.435 1.814 10 0 DDAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N[C@@H]2CCCOC2)cc1 ZINC000109550680 194273145 /nfs/dbraw/zinc/27/31/45/194273145.db2.gz IVDQUKJYIHBFBZ-CQSZACIVSA-N 1 0 312.435 1.642 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN(CCOCCC(C)C)CC1 ZINC000109469007 194266950 /nfs/dbraw/zinc/26/69/50/194266950.db2.gz OFZMCDITPOBIPY-CQSZACIVSA-N 1 0 301.500 1.731 10 0 DDAERO CCCCOC(=O)CN1CC[NH+]([C@H](CC)C(N)=S)CC1 ZINC000109469245 194267538 /nfs/dbraw/zinc/26/75/38/194267538.db2.gz DRXCIWVDCKOZJR-GFCCVEGCSA-N 1 0 301.456 1.012 10 0 DDAERO O=S(=O)(Cc1ccc(F)cc1)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051359389 183824830 /nfs/dbraw/zinc/82/48/30/183824830.db2.gz HDAYNDZOLOXENK-LSDHHAIUSA-N 1 0 312.410 1.872 10 0 DDAERO O[C@@H](C[NH2+][C@H]1CCc2ccccc2C1)COc1cnsn1 ZINC000051631503 183832383 /nfs/dbraw/zinc/83/23/83/183832383.db2.gz OYUAITNDGSSKQS-KBPBESRZSA-N 1 0 305.403 1.425 10 0 DDAERO C[C@@H]([NH3+])c1cc(Br)ccc1OC[C@H]1CNC(=O)O1 ZINC000052066601 183849091 /nfs/dbraw/zinc/84/90/91/183849091.db2.gz JGZYWBVKNBHAEW-VXNVDRBHSA-N 1 0 315.167 1.956 10 0 DDAERO CC(C)(C)[NH2+]C[C@H](c1ccccc1)N1CCS(=O)(=O)CC1 ZINC000052480417 183861852 /nfs/dbraw/zinc/86/18/52/183861852.db2.gz RBBIMMKWVPPPQN-OAHLLOKOSA-N 1 0 310.463 1.846 10 0 DDAERO CC[NH+](CC)C[C@@H](C)NC(=O)Cc1ccc(C(N)=S)cc1 ZINC000110615326 194342415 /nfs/dbraw/zinc/34/24/15/194342415.db2.gz NIXWMWISKYGACE-GFCCVEGCSA-N 1 0 307.463 1.710 10 0 DDAERO C[C@H]1CN(CCC(=O)Nc2cc(Cl)ccc2N)CC[N@@H+]1C ZINC000110700123 194351432 /nfs/dbraw/zinc/35/14/32/194351432.db2.gz HCZNRCWFYFWPGO-NSHDSACASA-N 1 0 310.829 1.887 10 0 DDAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H]1C[C@@H](OC)C[NH2+]1 ZINC000110777573 194358538 /nfs/dbraw/zinc/35/85/38/194358538.db2.gz IGOLLVPZDGTTRC-KOLCDFICSA-N 1 0 312.391 1.549 10 0 DDAERO NC(=S)C[NH+]1CCC(NC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000110825905 194362396 /nfs/dbraw/zinc/36/23/96/194362396.db2.gz UYOZDQMQZKBUMU-YNEHKIRRSA-N 1 0 309.479 1.679 10 0 DDAERO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@@H]2COc3ccccc3C2)O1 ZINC000340314404 251003343 /nfs/dbraw/zinc/00/33/43/251003343.db2.gz AJSRERZQICNIJI-LZWOXQAQSA-N 1 0 304.390 1.216 10 0 DDAERO CCOCCN(CC)S(=O)(=O)c1cccc2c1CC[NH2+]C2 ZINC000111125346 194393287 /nfs/dbraw/zinc/39/32/87/194393287.db2.gz GBQDRAOLYXMHLE-UHFFFAOYSA-N 1 0 312.435 1.379 10 0 DDAERO CNc1ncc(Br)cc1C(=O)N(C)CC[NH+](C)C ZINC000111151513 194397043 /nfs/dbraw/zinc/39/70/43/194397043.db2.gz NFUDCOXXQHRVIW-UHFFFAOYSA-N 1 0 315.215 1.519 10 0 DDAERO CC(C)(C)OC(=O)NC1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000058041054 184070240 /nfs/dbraw/zinc/07/02/40/184070240.db2.gz XDQAHSKHJRRAOE-CYBMUJFWSA-N 1 0 311.426 1.644 10 0 DDAERO O=C1NCCCC[C@@H]1[NH2+]Cc1ccc(O)c(Br)c1 ZINC000058062529 184072584 /nfs/dbraw/zinc/07/25/84/184072584.db2.gz IBNVOGAITBHREH-NSHDSACASA-N 1 0 313.195 1.913 10 0 DDAERO C[NH2+][C@@H](Cc1cc(Br)ccc1F)CS(C)(=O)=O ZINC000060705557 184154441 /nfs/dbraw/zinc/15/44/41/184154441.db2.gz PETFZAAUBZCTNZ-JTQLQIEISA-N 1 0 324.215 1.763 10 0 DDAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000061232493 184166918 /nfs/dbraw/zinc/16/69/18/184166918.db2.gz AZOOFGQDAUYMOJ-LLVKDONJSA-N 1 0 313.423 1.121 10 0 DDAERO O=C(CN1CCC[NH2+]CC1)N[C@H]1CCSc2ccccc21 ZINC000061270124 184167324 /nfs/dbraw/zinc/16/73/24/184167324.db2.gz SMYNNDXGCHUVHP-AWEZNQCLSA-N 1 0 305.447 1.635 10 0 DDAERO CC[NH2+]C(C)(C)C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2 ZINC000061291432 184167657 /nfs/dbraw/zinc/16/76/57/184167657.db2.gz YONWEDCMIGQVMM-UHFFFAOYSA-N 1 0 311.769 1.998 10 0 DDAERO Cn1c(Sc2ccc(C(N)=[NH2+])c(C(F)(F)F)c2)n[nH]c1=O ZINC000061592862 184175689 /nfs/dbraw/zinc/17/56/89/184175689.db2.gz XQGLVZAATIINGO-UHFFFAOYSA-N 1 0 317.296 1.562 10 0 DDAERO CCCn1c(SCCC[C@](C)([NH3+])C(=O)OCC)n[nH]c1=O ZINC000061608013 184177793 /nfs/dbraw/zinc/17/77/93/184177793.db2.gz VYKSUKDGDFURIC-ZDUSSCGKSA-N 1 0 316.427 1.134 10 0 DDAERO C[NH+](C)C[C@H]1CCCN1CC(=O)Nc1ccc(N)cc1Cl ZINC000061641684 184180461 /nfs/dbraw/zinc/18/04/61/184180461.db2.gz ZVRMVDUHILHJPE-GFCCVEGCSA-N 1 0 310.829 1.887 10 0 DDAERO C[NH+](C)C[C@@H]1CCCN1Cc1nc2sccc2c(NN)n1 ZINC000061653314 184180911 /nfs/dbraw/zinc/18/09/11/184180911.db2.gz CDCNYDHFDPZALG-JTQLQIEISA-N 1 0 306.439 1.503 10 0 DDAERO Cc1nn(Cc2cccnc2C(N)=[NH2+])c(C)c1Br ZINC000061658480 184181298 /nfs/dbraw/zinc/18/12/98/184181298.db2.gz ZTOPPHGCQNHRIV-UHFFFAOYSA-N 1 0 308.183 1.990 10 0 DDAERO CC[C@@H]([NH3+])[C@@H](N1CCN(CC(F)(F)F)CC1)C(F)(F)F ZINC000061940876 184197575 /nfs/dbraw/zinc/19/75/75/184197575.db2.gz SGVFSLCSBFMZLZ-RKDXNWHRSA-N 1 0 307.282 1.835 10 0 DDAERO Cc1ccc(CNS(=O)(=O)c2cccc([C@@H](C)[NH3+])c2)cn1 ZINC000062037809 184202745 /nfs/dbraw/zinc/20/27/45/184202745.db2.gz XSKIOMPXLHHSSO-GFCCVEGCSA-N 1 0 305.403 1.888 10 0 DDAERO CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[NH+](C)C ZINC000062065915 184203895 /nfs/dbraw/zinc/20/38/95/184203895.db2.gz HSTSFEVWNFNNOH-VXGBXAGGSA-N 1 0 301.431 1.604 10 0 DDAERO CCCN[C@H](CC[N@@H+]1CCC[C@H](OCCC)C1)C(=O)OC ZINC000062526951 184241389 /nfs/dbraw/zinc/24/13/89/184241389.db2.gz COCMJBPKJIJZSP-LSDHHAIUSA-N 1 0 300.443 1.809 10 0 DDAERO Cc1nn(CC[C@@H]([NH2+]C(C)C)C(N)=O)c(C)c1Br ZINC000062538499 184241669 /nfs/dbraw/zinc/24/16/69/184241669.db2.gz OHMKJJXTNNAXJM-SNVBAGLBSA-N 1 0 317.231 1.504 10 0 DDAERO CCNS(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCCCCC1 ZINC000062356681 184232173 /nfs/dbraw/zinc/23/21/73/184232173.db2.gz YBKXLLQOVXTBDR-ZDUSSCGKSA-N 1 0 315.439 1.641 10 0 DDAERO O=S(=O)(N1CCC2(CCCC2)CC1)N1CCC[NH2+]CC1 ZINC000062954618 184262623 /nfs/dbraw/zinc/26/26/23/184262623.db2.gz JRNRTIBLLAQMKI-UHFFFAOYSA-N 1 0 301.456 1.183 10 0 DDAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)N1CCC2(CCCC2)CC1 ZINC000062960088 184262642 /nfs/dbraw/zinc/26/26/42/184262642.db2.gz XSCSHHDCJBQTBQ-AWEZNQCLSA-N 1 0 300.468 1.972 10 0 DDAERO CC[C@]1(C(=O)Nc2ccccc2NS(C)(=O)=O)CC[NH2+]C1 ZINC000062893281 184259020 /nfs/dbraw/zinc/25/90/20/184259020.db2.gz MHFVUIXVKXMNSI-AWEZNQCLSA-N 1 0 311.407 1.386 10 0 DDAERO C[C@@H]1C[C@H](C)CN(S(=O)(=O)N[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000063213620 184278859 /nfs/dbraw/zinc/27/88/59/184278859.db2.gz LXLFEKJWRDAHDK-RFQIPJPRSA-N 1 0 303.472 1.459 10 0 DDAERO C[C@@]1(NC2=[NH+][C@H](Cc3ccccc3)CS2)CCS(=O)(=O)C1 ZINC000063220635 184279381 /nfs/dbraw/zinc/27/93/81/184279381.db2.gz NSVSDGZEFHZCJN-UKRRQHHQSA-N 1 0 324.471 1.867 10 0 DDAERO COc1cc(C[C@H](C)[NH3+])ccc1OCCCS(C)(=O)=O ZINC000063017557 184267166 /nfs/dbraw/zinc/26/71/66/184267166.db2.gz CJHSEZYRAVFXNQ-NSHDSACASA-N 1 0 301.408 1.398 10 0 DDAERO CCC1CCC(C[NH3+])(N(C)S(=O)(=O)C[C@@H]2CCCO2)CC1 ZINC000063154984 184274281 /nfs/dbraw/zinc/27/42/81/184274281.db2.gz FXHNIBSTBLQKID-SLTAFYQDSA-N 1 0 318.483 1.725 10 0 DDAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1c(F)cccc1F ZINC000063168239 184275674 /nfs/dbraw/zinc/27/56/74/184275674.db2.gz QEISEVXLKQSRPZ-JTQLQIEISA-N 1 0 304.362 1.727 10 0 DDAERO CC1(C)CN(S(=O)(=O)Cc2ccccc2F)CC[C@@H]1[NH3+] ZINC000261715800 207366267 /nfs/dbraw/zinc/36/62/67/207366267.db2.gz MXMBQHHQUDJTMN-ZDUSSCGKSA-N 1 0 300.399 1.715 10 0 DDAERO COCCNC(=O)CC[NH2+]Cc1ccccc1OC(F)F ZINC000067221227 184455852 /nfs/dbraw/zinc/45/58/52/184455852.db2.gz IUINJUUXGYESIU-UHFFFAOYSA-N 1 0 302.321 1.530 10 0 DDAERO COCC1CC[NH+](CCC[C@@](C)([NH2+]C(C)C)C(=O)[O-])CC1 ZINC000069507453 184520643 /nfs/dbraw/zinc/52/06/43/184520643.db2.gz JQIMTSMSOVIKLB-MRXNPFEDSA-N 1 0 300.443 1.966 10 0 DDAERO CC(C)COc1ncccc1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116792805 194771884 /nfs/dbraw/zinc/77/18/84/194771884.db2.gz JLEWYSHWXDDVEN-AWEZNQCLSA-N 1 0 321.421 1.519 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)NCCOc2ccc(Cl)cn2)C1 ZINC000119794954 195038154 /nfs/dbraw/zinc/03/81/54/195038154.db2.gz ASNDFCKZDMTGGV-GFCCVEGCSA-N 1 0 312.801 1.459 10 0 DDAERO CSCC[C@@H]([NH3+])C(=O)NCc1ccc(OCC2CC2)nc1 ZINC000157264795 197174678 /nfs/dbraw/zinc/17/46/78/197174678.db2.gz CEYVZIPTPDLEIZ-CYBMUJFWSA-N 1 0 309.435 1.567 10 0 DDAERO C[NH+](C)C[C@@H]1CN(Cc2cc(=O)oc3cc(O)ccc23)CCO1 ZINC000155309228 197042027 /nfs/dbraw/zinc/04/20/27/197042027.db2.gz DGOKTUKKPDLEAP-CQSZACIVSA-N 1 0 318.373 1.261 10 0 DDAERO Cc1nn(C)c(C)c1CC(=O)N1CC[C@H](Oc2ccncc2)C1 ZINC000120489970 195175676 /nfs/dbraw/zinc/17/56/76/195175676.db2.gz KSYUFTVKMHFAHL-HNNXBMFYSA-N 1 0 314.389 1.654 10 0 DDAERO CN(C)C[C@H](NS(=O)(=O)c1cccnc1)c1ccccc1 ZINC000120695001 195217976 /nfs/dbraw/zinc/21/79/76/195217976.db2.gz DPCXTCIZEODBSV-HNNXBMFYSA-N 1 0 305.403 1.663 10 0 DDAERO Cc1ncoc1C(=O)N1C[C@@H]2OCC[N@@H+](CC3CC3)C[C@@H]2C1 ZINC000248046784 257109833 /nfs/dbraw/zinc/10/98/33/257109833.db2.gz QPAZUZFQQQGBTE-KGLIPLIRSA-N 1 0 305.378 1.166 10 0 DDAERO CC[N@@H+]1CCO[C@H]2CN(C(=O)Cc3cccc(OC)c3)C[C@H]2C1 ZINC000247879857 257115469 /nfs/dbraw/zinc/11/54/69/257115469.db2.gz IMGDJJIFPDYWDJ-WBVHZDCISA-N 1 0 318.417 1.417 10 0 DDAERO O=C(Nc1cccnc1)[C@@H]1C[C@H]2CC[N@H+](CC3CC3)C[C@@H]2O1 ZINC000247480321 257119616 /nfs/dbraw/zinc/11/96/16/257119616.db2.gz IRFDCPAXGRCDBV-KBMXLJTQSA-N 1 0 301.390 1.910 10 0 DDAERO Fc1cnc(N2C[C@@H]([NH+]3CCCC3)[C@@H]3OCCC[C@H]3C2)nc1 ZINC000503718379 257208092 /nfs/dbraw/zinc/20/80/92/257208092.db2.gz SNHBYZWRGQSABL-NWANDNLSSA-N 1 0 306.385 1.695 10 0 DDAERO CC[NH+](CC)[C@@H]1CN(c2ncc(F)cn2)C[C@H]2CCCO[C@H]21 ZINC000503718339 257208658 /nfs/dbraw/zinc/20/86/58/257208658.db2.gz RGRCHZXORQNLSA-BPLDGKMQSA-N 1 0 308.401 1.941 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)Nc1ccc(Br)cc1 ZINC000414673621 224371101 /nfs/dbraw/zinc/37/11/01/224371101.db2.gz OWYFNPFVNADTQR-KWQFWETISA-N 1 0 314.183 1.151 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccc(C(N)=O)cc1 ZINC000121985776 195386778 /nfs/dbraw/zinc/38/67/78/195386778.db2.gz HPCVYQRKENPSRX-LBPRGKRZSA-N 1 0 306.410 1.315 10 0 DDAERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638303326 422817089 /nfs/dbraw/zinc/81/70/89/422817089.db2.gz YGMOPBQSFROBLA-CRAIPNDOSA-N 1 0 319.449 1.379 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](CCO)CSC)C12CCOCC2 ZINC000249006829 286292488 /nfs/dbraw/zinc/29/24/88/286292488.db2.gz NYNCJOHOOYUFCP-MGPQQGTHSA-N 1 0 303.468 1.664 10 0 DDAERO C[C@H]([NH3+])Cn1cc(Br)cc(Br)c1=O ZINC000222874003 407562561 /nfs/dbraw/zinc/56/25/61/407562561.db2.gz DETKAXUQSISSTE-YFKPBYRVSA-N 1 0 309.989 1.721 10 0 DDAERO COc1cnc(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)nc1 ZINC000333226256 286536177 /nfs/dbraw/zinc/53/61/77/286536177.db2.gz XEOZYTDKXWPJMH-GFCCVEGCSA-N 1 0 307.398 1.871 10 0 DDAERO CNC(=O)Nc1cccc(NC(=O)[C@@H]([NH3+])C2CCOCC2)c1 ZINC000261662745 407571136 /nfs/dbraw/zinc/57/11/36/407571136.db2.gz FTELBZPMUATKLY-ZDUSSCGKSA-N 1 0 306.366 1.130 10 0 DDAERO CC[N@H+](CCNC(=O)N[C@@H]1CCCn2nc(C)nc21)C1CC1 ZINC000083717616 407082801 /nfs/dbraw/zinc/08/28/01/407082801.db2.gz YIPUGWXLAUWPDC-CYBMUJFWSA-N 1 0 306.414 1.205 10 0 DDAERO COc1c(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c(C)nn1C ZINC000092662071 407191974 /nfs/dbraw/zinc/19/19/74/407191974.db2.gz FCILCDSFBOMOFC-OAHLLOKOSA-N 1 0 323.437 1.897 10 0 DDAERO C[C@@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)[C@H]1CCCO1 ZINC000054764649 407189182 /nfs/dbraw/zinc/18/91/82/407189182.db2.gz GWBDKHXASYTYMT-GDBMZVCRSA-N 1 0 305.422 1.985 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCCO[C@H]1CCOC1 ZINC000123169441 407321899 /nfs/dbraw/zinc/32/18/99/407321899.db2.gz NXFINFFHTJAMSV-CABCVRRESA-N 1 0 315.458 1.458 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)OCc2ccccc2)C1 ZINC000067592374 407277490 /nfs/dbraw/zinc/27/74/90/407277490.db2.gz ZXKZVDOQKGGQRC-OAHLLOKOSA-N 1 0 319.405 1.513 10 0 DDAERO COc1cc(-c2cc3c(c(Cl)c2)O[C@H](C[NH3+])C3)nc(N)n1 ZINC000067854946 407287196 /nfs/dbraw/zinc/28/71/96/407287196.db2.gz CGFVRZJKRQUBJC-VIFPVBQESA-N 1 0 306.753 1.650 10 0 DDAERO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000123640512 407335102 /nfs/dbraw/zinc/33/51/02/407335102.db2.gz OILWPLSOFVMLCX-MGPQQGTHSA-N 1 0 308.447 1.949 10 0 DDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@](C)(O)c1ccco1 ZINC000124452290 407359047 /nfs/dbraw/zinc/35/90/47/407359047.db2.gz WPTDLTUNLMMDTE-PBHICJAKSA-N 1 0 323.437 1.907 10 0 DDAERO CC[C@@H](COC)NC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000181808733 306700243 /nfs/dbraw/zinc/70/02/43/306700243.db2.gz JFUHFTSTMLABHJ-HIFRSBDPSA-N 1 0 315.458 1.146 10 0 DDAERO Cc1ccc([C@H](C)CNC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000125796782 407397961 /nfs/dbraw/zinc/39/79/61/407397961.db2.gz DXSWSCKLCHEKSM-ZBFHGGJFSA-N 1 0 305.422 1.728 10 0 DDAERO O=C1CCCN1C[C@@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000111682391 407414167 /nfs/dbraw/zinc/41/41/67/407414167.db2.gz WXDONINOSJFPRO-SJORKVTESA-N 1 0 302.418 1.677 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(N2CCCC2)nc1 ZINC000113223940 407478733 /nfs/dbraw/zinc/47/87/33/407478733.db2.gz RCUDYJNNXYOGLD-GOEBONIOSA-N 1 0 314.433 1.991 10 0 DDAERO CN1CCO[C@H](CNC(=O)c2ccc3c(c2O)CCCC3)C1 ZINC000185690094 407479276 /nfs/dbraw/zinc/47/92/76/407479276.db2.gz RSPVDPSLDSOQPX-CYBMUJFWSA-N 1 0 304.390 1.331 10 0 DDAERO COc1cc(CN2CCO[C@@H](C[NH+](C)C)C2)cc2c1OCCO2 ZINC000128141342 407500908 /nfs/dbraw/zinc/50/09/08/407500908.db2.gz NVZVLMCXWKFNHS-AWEZNQCLSA-N 1 0 322.405 1.229 10 0 DDAERO CCCNC(=O)[C@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](CC)C2)C1 ZINC000195334772 407453213 /nfs/dbraw/zinc/45/32/13/407453213.db2.gz KMCNQQMZSHRAAS-GJZGRUSLSA-N 1 0 324.469 1.419 10 0 DDAERO CCN(CC)S(=O)(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261616764 407555143 /nfs/dbraw/zinc/55/51/43/407555143.db2.gz CVHRCQAUULFROC-CABCVRRESA-N 1 0 311.451 1.247 10 0 DDAERO CC(C)C(=O)Nc1ccc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000261671817 407574994 /nfs/dbraw/zinc/57/49/94/407574994.db2.gz JDBUIKPKKXAGLA-IUODEOHRSA-N 1 0 303.406 1.753 10 0 DDAERO Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)cnc1Cl ZINC000128858860 407578916 /nfs/dbraw/zinc/57/89/16/407578916.db2.gz NRNZTQZSGPIBIJ-NSHDSACASA-N 1 0 310.785 1.144 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(N3CCOC3=O)cc2)C1 ZINC000171080383 407591524 /nfs/dbraw/zinc/59/15/24/407591524.db2.gz HYRKPZFMYPWVDM-CQSZACIVSA-N 1 0 318.377 1.811 10 0 DDAERO C[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1nc2ccccc2[nH]1 ZINC000170826577 407517315 /nfs/dbraw/zinc/51/73/15/407517315.db2.gz ZLYQTOMMYAFLJW-RYUDHWBXSA-N 1 0 301.394 1.969 10 0 DDAERO Cc1cnn(CC[NH2+][C@H](C)CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000185843562 407517371 /nfs/dbraw/zinc/51/73/71/407517371.db2.gz HLVWLOPWFXEPJD-OAHLLOKOSA-N 1 0 321.446 1.952 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(CN3CCCC3=O)cc2)C1 ZINC000170859767 407533456 /nfs/dbraw/zinc/53/34/56/407533456.db2.gz OQROKTQTTKNKRU-INIZCTEOSA-N 1 0 315.417 1.585 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@]1(CCO)CCOC1 ZINC000128443140 407535839 /nfs/dbraw/zinc/53/58/39/407535839.db2.gz LWPHRGGJPNXTFX-GDBMZVCRSA-N 1 0 315.458 1.051 10 0 DDAERO c1ncn(C[C@H]2CCC[N@H+](Cc3c[nH]nc3-c3cccnc3)C2)n1 ZINC000128494773 407541534 /nfs/dbraw/zinc/54/15/34/407541534.db2.gz QTMJSXWYQAAIPK-AWEZNQCLSA-N 1 0 323.404 1.975 10 0 DDAERO COC(=O)CCOc1ccc(NC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261768030 407607045 /nfs/dbraw/zinc/60/70/45/407607045.db2.gz GMSWCFCSAKRPLP-UHFFFAOYSA-N 1 0 322.361 1.075 10 0 DDAERO CCO[C@H]1C[C@@H]([NH2+]CCCN2CCCC2=O)C12CCOCC2 ZINC000186211828 407607404 /nfs/dbraw/zinc/60/74/04/407607404.db2.gz MQWKFXKITYDNGG-CABCVRRESA-N 1 0 310.438 1.563 10 0 DDAERO CCCC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](CC)C2)C1 ZINC000171164587 407613538 /nfs/dbraw/zinc/61/35/38/407613538.db2.gz YMPZOVWVAUVGFK-CABCVRRESA-N 1 0 324.469 1.561 10 0 DDAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(C(N)=O)c2)C12CCOCC2 ZINC000186224776 407613810 /nfs/dbraw/zinc/61/38/10/407613810.db2.gz JMTSGUMRXAUZDD-CVEARBPZSA-N 1 0 318.417 1.849 10 0 DDAERO CN([C@H]1CCC[NH2+]CC1)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000226462938 407616319 /nfs/dbraw/zinc/61/63/19/407616319.db2.gz LWHUFXKNZAMMMU-LBPRGKRZSA-N 1 0 304.362 1.727 10 0 DDAERO O[C@H](COC1CCOCC1)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152350984 407620603 /nfs/dbraw/zinc/62/06/03/407620603.db2.gz GFRNKWZAJGTPAN-WMLDXEAASA-N 1 0 322.405 1.091 10 0 DDAERO CSCc1ccccc1NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000186294923 407631680 /nfs/dbraw/zinc/63/16/80/407631680.db2.gz RNWQRROANDCTJK-CYBMUJFWSA-N 1 0 321.446 1.651 10 0 DDAERO COc1ccccc1[C@]1(C)C[C@H]1NC(=O)C1([NH3+])CCOCC1 ZINC000261851638 407641451 /nfs/dbraw/zinc/64/14/51/407641451.db2.gz MKUUGTSIPRQEQD-ZBFHGGJFSA-N 1 0 304.390 1.349 10 0 DDAERO COCCC[N@H+](C)CCNC(=O)[C@@H](C)c1ccc(OC)cc1 ZINC000152492365 407642103 /nfs/dbraw/zinc/64/21/03/407642103.db2.gz BWRLUCWJXRAOPX-AWEZNQCLSA-N 1 0 308.422 1.883 10 0 DDAERO CN(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)CC(F)(F)F ZINC000261894478 407660764 /nfs/dbraw/zinc/66/07/64/407660764.db2.gz GZQOVBMWHXOWPK-YNEHKIRRSA-N 1 0 309.376 1.227 10 0 DDAERO Cc1nc(C[C@H]2CCCN(C(=O)[C@@H]3CC34CC[NH2+]CC4)C2)no1 ZINC000261882193 407654223 /nfs/dbraw/zinc/65/42/23/407654223.db2.gz AJNOUJBBIDLCRE-KGLIPLIRSA-N 1 0 318.421 1.549 10 0 DDAERO C[C@@H]1CN(C(=O)C2([NH3+])CCOCC2)C[C@H](c2ccccc2)O1 ZINC000261934961 407678831 /nfs/dbraw/zinc/67/88/31/407678831.db2.gz WSEYRNCQBYNORX-UKRRQHHQSA-N 1 0 304.390 1.483 10 0 DDAERO COC[C@@H]([NH3+])C(=O)Nc1cc(C)cc(Br)c1O ZINC000261966850 407696762 /nfs/dbraw/zinc/69/67/62/407696762.db2.gz AZGQTOHXARMUFQ-MRVPVSSYSA-N 1 0 303.156 1.375 10 0 DDAERO O=C(NCCOc1cccc(F)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171539524 407697424 /nfs/dbraw/zinc/69/74/24/407697424.db2.gz SCXYCMFIANBNAT-AWEZNQCLSA-N 1 0 307.369 1.694 10 0 DDAERO CN(CC(=O)N1CCc2sccc2C1)[C@H]1CCC[NH2+]CC1 ZINC000231669588 407699279 /nfs/dbraw/zinc/69/92/79/407699279.db2.gz ZLTGPPIHDIPRQH-AWEZNQCLSA-N 1 0 307.463 1.707 10 0 DDAERO O=C(/C=C/c1ccc2c(c1)OCO2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171584533 407711687 /nfs/dbraw/zinc/71/16/87/407711687.db2.gz BUEQSWPVKHBQPT-YVARQFDVSA-N 1 0 300.358 1.735 10 0 DDAERO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)C[C@@H]1[NH3+] ZINC000235346841 407721188 /nfs/dbraw/zinc/72/11/88/407721188.db2.gz ZXQPSEVKMKBDSX-XCBNKYQSSA-N 1 0 309.218 1.961 10 0 DDAERO COC[C@@H]([NH3+])C(=O)NCC(C)(C)c1ccc(F)cc1Cl ZINC000262173012 407756406 /nfs/dbraw/zinc/75/64/06/407756406.db2.gz AXDAVXCEFUJRDH-GFCCVEGCSA-N 1 0 302.777 1.847 10 0 DDAERO [NH3+][C@H](C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F)C1CCOCC1 ZINC000262105238 407741583 /nfs/dbraw/zinc/74/15/83/407741583.db2.gz VHVFAZATBOANRO-ZBINZKHDSA-N 1 0 310.344 1.691 10 0 DDAERO CCCCCNC(=O)C1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000236746870 407768235 /nfs/dbraw/zinc/76/82/35/407768235.db2.gz HIUSIMRLTJSXOF-HUUCEWRRSA-N 1 0 309.454 1.659 10 0 DDAERO COC[C@H]([NH3+])C(=O)Nc1nccn1Cc1ccccc1Cl ZINC000262298342 407787088 /nfs/dbraw/zinc/78/70/88/407787088.db2.gz NPSGNTPOEOBCLQ-LBPRGKRZSA-N 1 0 308.769 1.497 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)NCCn2ccnc2)C[C@@H]1CC ZINC000117021881 407805708 /nfs/dbraw/zinc/80/57/08/407805708.db2.gz JJSVFHOEVBXKSG-HNNXBMFYSA-N 1 0 323.441 1.025 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)NCCCc2ccccc2)CCO1 ZINC000117023922 407806108 /nfs/dbraw/zinc/80/61/08/407806108.db2.gz DHVITHWWQIAYIT-MRXNPFEDSA-N 1 0 305.422 1.591 10 0 DDAERO COCCn1nc(C)c(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000179553569 407807176 /nfs/dbraw/zinc/80/71/76/407807176.db2.gz DHGJSRQFMGVMRF-AWEZNQCLSA-N 1 0 321.425 1.458 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000132894378 407808241 /nfs/dbraw/zinc/80/82/41/407808241.db2.gz JKCHQKZCDNWZKD-SWLSCSKDSA-N 1 0 311.389 1.780 10 0 DDAERO COC[C@H]([NH3+])C(=O)NCc1ccc(C)cc1OCC(F)(F)F ZINC000262359732 407811756 /nfs/dbraw/zinc/81/17/56/407811756.db2.gz VKSFISTXWKFXRH-NSHDSACASA-N 1 0 320.311 1.526 10 0 DDAERO Cc1ncc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c(C(C)C)n1 ZINC000172305757 407819634 /nfs/dbraw/zinc/81/96/34/407819634.db2.gz BGYQZKMQQMLKQL-CYBMUJFWSA-N 1 0 306.410 1.311 10 0 DDAERO CC[C@@H]1CN(C(=O)NCCc2cccnc2)CC[N@@H+]1CCOC ZINC000117475060 407840275 /nfs/dbraw/zinc/84/02/75/407840275.db2.gz NFQXEAIFPCPMKP-MRXNPFEDSA-N 1 0 320.437 1.376 10 0 DDAERO Cc1cc2c(cc1C)O[C@@H](C(=O)N1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000173098634 407862094 /nfs/dbraw/zinc/86/20/94/407862094.db2.gz TWYYKUXXKZNQQR-NVXWUHKLSA-N 1 0 300.402 1.914 10 0 DDAERO FC(F)(F)c1nnc2ccc(N3CC[C@H]4CC[C@@H](C3)[NH2+]4)nn21 ZINC000262559915 407865069 /nfs/dbraw/zinc/86/50/69/407865069.db2.gz VDFVIOFVPQSHDS-BDAKNGLRSA-N 1 0 312.299 1.474 10 0 DDAERO CCC[C@H](C(=O)N1CCN(CCOC)[C@@H](CCC)C1)[NH+](C)C ZINC000153683824 407876251 /nfs/dbraw/zinc/87/62/51/407876251.db2.gz AGYLHINKBKLTBI-JKSUJKDBSA-N 1 0 313.486 1.676 10 0 DDAERO Cc1cnn(CCNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000118053167 407881141 /nfs/dbraw/zinc/88/11/41/407881141.db2.gz WTPIIMQUAYJFDW-INIZCTEOSA-N 1 0 315.421 1.794 10 0 DDAERO COCCN1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC000173663499 407893652 /nfs/dbraw/zinc/89/36/52/407893652.db2.gz XKDBOHGZEUUKQS-HZPDHXFCSA-N 1 0 311.470 1.430 10 0 DDAERO COc1ccnc(NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)c1 ZINC000262827014 407947936 /nfs/dbraw/zinc/94/79/36/407947936.db2.gz RQHCQQXEPMTFTM-NSHDSACASA-N 1 0 301.350 1.464 10 0 DDAERO COC(C)(C)C[NH2+]Cc1c(C(C)C)nn(C)c1N1CCOCC1 ZINC000174597368 407967197 /nfs/dbraw/zinc/96/71/97/407967197.db2.gz FNDPPMNMCCTZST-UHFFFAOYSA-N 1 0 324.469 1.895 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(F)c(F)c2F)CCO1 ZINC000118789726 407943182 /nfs/dbraw/zinc/94/31/82/407943182.db2.gz UBRLOXYRIDSNMV-SECBINFHSA-N 1 0 317.311 1.898 10 0 DDAERO CCOc1cccc2cc([C@H](C)NC(=O)[C@H]([NH3+])COC)oc21 ZINC000263113360 408029033 /nfs/dbraw/zinc/02/90/33/408029033.db2.gz FFWHBCLLCDKPSL-CMPLNLGQSA-N 1 0 306.362 1.982 10 0 DDAERO CCOC(=O)C[C@@H](C)CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000245637421 408032700 /nfs/dbraw/zinc/03/27/00/408032700.db2.gz WBCKTKYUHORJJK-KGLIPLIRSA-N 1 0 313.442 1.701 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C)Cc1ccco1 ZINC000175042259 408036847 /nfs/dbraw/zinc/03/68/47/408036847.db2.gz SZYYCNKUBPNKHU-LSDHHAIUSA-N 1 0 305.422 1.797 10 0 DDAERO CC(=O)Nc1cc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)ccc1F ZINC000263192493 408053808 /nfs/dbraw/zinc/05/38/08/408053808.db2.gz IANOASDFLTZDRJ-ZDUSSCGKSA-N 1 0 319.340 1.410 10 0 DDAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H]2CC=CCC2)CC1 ZINC000181794509 408040626 /nfs/dbraw/zinc/04/06/26/408040626.db2.gz GEGDPURDMUZFTI-ZBFHGGJFSA-N 1 0 309.454 1.829 10 0 DDAERO CN1CC[NH2+]C[C@@H]1c1noc(CCc2nc(C(C)(C)C)no2)n1 ZINC000263162321 408042717 /nfs/dbraw/zinc/04/27/17/408042717.db2.gz DXBMVIZCBAAZMK-SNVBAGLBSA-N 1 0 320.397 1.111 10 0 DDAERO CC(C)C(=O)N1CCCC[C@H]1c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263186055 408050535 /nfs/dbraw/zinc/05/05/35/408050535.db2.gz HIXGJOKNKRDJSG-QWHCGFSZSA-N 1 0 321.425 1.355 10 0 DDAERO CCc1noc([C@@H](C)N2CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC2)n1 ZINC000119123417 407998755 /nfs/dbraw/zinc/99/87/55/407998755.db2.gz WYAXTHQZLGQUCB-DGCLKSJQSA-N 1 0 323.441 1.211 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(CCOCC(F)(F)C(F)F)CC1 ZINC000189449077 408022249 /nfs/dbraw/zinc/02/22/49/408022249.db2.gz AVVHNHLSTUANDN-NSHDSACASA-N 1 0 316.339 1.292 10 0 DDAERO C[C@H](O)CN1CCN(C(=O)CSCC(F)(F)F)C[C@@H]1C ZINC000245585267 408022758 /nfs/dbraw/zinc/02/27/58/408022758.db2.gz LTNJXCCXCCIPPQ-UWVGGRQHSA-N 1 0 314.373 1.195 10 0 DDAERO C[C@H](Oc1ccccc1F)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263203184 408056520 /nfs/dbraw/zinc/05/65/20/408056520.db2.gz JIUFIQZOSHHBPJ-CMPLNLGQSA-N 1 0 306.341 1.925 10 0 DDAERO COc1ccc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)cc1OC ZINC000263226238 408064845 /nfs/dbraw/zinc/06/48/45/408064845.db2.gz MUTLYPDNDPMQGA-NSHDSACASA-N 1 0 304.350 1.330 10 0 DDAERO CC(C)N(C)C(=O)[C@H](C)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000175186886 408070053 /nfs/dbraw/zinc/07/00/53/408070053.db2.gz GOJLWYPTUQQRMO-ZDUSSCGKSA-N 1 0 305.426 1.608 10 0 DDAERO CC[C@H]1CN(C(=O)NCc2cncc(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000182070526 408070216 /nfs/dbraw/zinc/07/02/16/408070216.db2.gz RBCVSVUCIQCDIF-ZBFHGGJFSA-N 1 0 320.437 1.377 10 0 DDAERO CCc1cccc(NC(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000119457406 408072171 /nfs/dbraw/zinc/07/21/71/408072171.db2.gz SRHHBYHCMCKAFX-HNNXBMFYSA-N 1 0 307.394 1.064 10 0 DDAERO Cc1cc(CNC[C@H]2C[NH2+]C[C@H]2O)ccc1Oc1cccnc1 ZINC000263262162 408081603 /nfs/dbraw/zinc/08/16/03/408081603.db2.gz RBRQPQPIZPVTAK-DOTOQJQBSA-N 1 0 313.401 1.852 10 0 DDAERO COc1cc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)ncn1 ZINC000182198568 408090190 /nfs/dbraw/zinc/09/01/90/408090190.db2.gz RVRZBVMMWQSZEV-ZDUSSCGKSA-N 1 0 315.377 1.910 10 0 DDAERO CCC[C@H](C(=O)N1CCN(Cc2cnc(C)s2)CC1)[NH+](C)C ZINC000154818921 408093018 /nfs/dbraw/zinc/09/30/18/408093018.db2.gz ILOSPCMBWCAHIJ-OAHLLOKOSA-N 1 0 324.494 1.826 10 0 DDAERO Cc1ccc(C(=O)CCc2nc([C@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263313400 408105128 /nfs/dbraw/zinc/10/51/28/408105128.db2.gz ZCTVJCXZGVKGRO-CQSZACIVSA-N 1 0 314.389 1.770 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)CCCN1C(=O)NC(C)(C)C1=O ZINC000175332385 408106213 /nfs/dbraw/zinc/10/62/13/408106213.db2.gz GPUBLAQEIWHEAL-ZDUSSCGKSA-N 1 0 310.442 1.123 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000175330368 408107012 /nfs/dbraw/zinc/10/70/12/408107012.db2.gz IQKJZZXVSFILAX-NWDGAFQWSA-N 1 0 307.360 1.566 10 0 DDAERO C[C@@H]1CC[C@H](C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)O1 ZINC000245960077 408108585 /nfs/dbraw/zinc/10/85/85/408108585.db2.gz CQECARNPRQTHTQ-MWDXBVQZSA-N 1 0 323.481 1.571 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(-n2ccnn2)c1 ZINC000245968570 408111947 /nfs/dbraw/zinc/11/19/47/408111947.db2.gz ZBWLLVIAPQZAOH-CJNGLKHVSA-N 1 0 311.389 1.576 10 0 DDAERO CN1CC[NH2+]C[C@H]1c1noc(-c2cccnc2N2CCCC2)n1 ZINC000263193694 408054510 /nfs/dbraw/zinc/05/45/10/408054510.db2.gz IFGMINMIUWHBOM-ZDUSSCGKSA-N 1 0 314.393 1.308 10 0 DDAERO CC[C@@H]1CN(C(=O)NCC2(C(C)C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000181940750 408055978 /nfs/dbraw/zinc/05/59/78/408055978.db2.gz QPVHPOOYNYCEDM-HUUCEWRRSA-N 1 0 311.470 1.909 10 0 DDAERO COC[C@H]([NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O)C1CC1 ZINC000182356154 408134585 /nfs/dbraw/zinc/13/45/85/408134585.db2.gz PKMHWSYIJPTMAT-KGLIPLIRSA-N 1 0 306.410 1.239 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000246097588 408141191 /nfs/dbraw/zinc/14/11/91/408141191.db2.gz GZPUURDVWHZTAJ-CABCVRRESA-N 1 0 305.426 1.751 10 0 DDAERO CCn1c(CN2CCO[C@@H](C[NH+](C)C)C2)nc2cc(F)ccc21 ZINC000155281909 408145247 /nfs/dbraw/zinc/14/52/47/408145247.db2.gz GMQXXKZDUVNVHC-AWEZNQCLSA-N 1 0 320.412 1.958 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC000182430437 408155915 /nfs/dbraw/zinc/15/59/15/408155915.db2.gz JSVZAULUCYVDKQ-IUODEOHRSA-N 1 0 313.401 1.419 10 0 DDAERO Cc1cc(F)ccc1NC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000190078676 408159424 /nfs/dbraw/zinc/15/94/24/408159424.db2.gz VQPHJINYTJVJTO-JSGCOSHPSA-N 1 0 319.380 1.768 10 0 DDAERO CC[N@H+](CC(=O)[O-])C1CC(NCc2cc(C(=O)OC)c(C)o2)C1 ZINC000263517485 408161710 /nfs/dbraw/zinc/16/17/10/408161710.db2.gz PIAHCTHWXIDDFP-UHFFFAOYSA-N 1 0 324.377 1.402 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)CCO1 ZINC000121222736 408167430 /nfs/dbraw/zinc/16/74/30/408167430.db2.gz PZPATDXOYDIUFV-UMVBOHGHSA-N 1 0 324.371 1.857 10 0 DDAERO Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000175620353 408174990 /nfs/dbraw/zinc/17/49/90/408174990.db2.gz ALGPUCKNWOMEGF-AWEZNQCLSA-N 1 0 320.441 1.593 10 0 DDAERO CNC(=O)[C@H]1CCCN1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000156062009 408237590 /nfs/dbraw/zinc/23/75/90/408237590.db2.gz ZRWZKFFIHPNWFW-OAHLLOKOSA-N 1 0 318.421 1.168 10 0 DDAERO CC(C)N(C(=O)C[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1)C(C)C ZINC000246385172 408239088 /nfs/dbraw/zinc/23/90/88/408239088.db2.gz IKRIUENIYIYXRF-JKSUJKDBSA-N 1 0 311.470 1.284 10 0 DDAERO COC(C)(C)C[C@H](C)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000175968030 408253132 /nfs/dbraw/zinc/25/31/32/408253132.db2.gz CTPSPOOMAIIWHT-UONOGXRCSA-N 1 0 315.458 1.336 10 0 DDAERO CNC(=O)c1cccc(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000246289302 408203494 /nfs/dbraw/zinc/20/34/94/408203494.db2.gz AXZMKHRLGZHKSY-RHSMWYFYSA-N 1 0 317.433 1.199 10 0 DDAERO C[C@@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1N1CCOCC1 ZINC000246292189 408209231 /nfs/dbraw/zinc/20/92/31/408209231.db2.gz BDHJFNNKSQXVLB-OWCLPIDISA-N 1 0 309.454 1.040 10 0 DDAERO COc1ccccc1CN(C)C(=O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183133428 408334352 /nfs/dbraw/zinc/33/43/52/408334352.db2.gz LZWVQCFOUIDGMI-UKRRQHHQSA-N 1 0 306.406 1.811 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(C(=O)CCCOc2ccccc2)C[C@@H]1C ZINC000246765160 408336722 /nfs/dbraw/zinc/33/67/22/408336722.db2.gz OZQGXNFHDILUFF-HOTGVXAUSA-N 1 0 320.433 1.759 10 0 DDAERO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)NC(C1CC1)C1CC1 ZINC000140525310 162132488 /nfs/dbraw/zinc/13/24/88/162132488.db2.gz GPDDPEYTIDATAW-YJBOKZPZSA-N 1 0 306.450 1.918 10 0 DDAERO COc1cccc(CN(C)C(=O)C[NH2+][C@H](C)[C@@H]2CCCO2)c1 ZINC000183215812 408354062 /nfs/dbraw/zinc/35/40/62/408354062.db2.gz ALEYVHMFWWTCGD-CJNGLKHVSA-N 1 0 306.406 1.811 10 0 DDAERO CN(C)C(=O)C1(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000172272460 162267726 /nfs/dbraw/zinc/26/77/26/162267726.db2.gz JUEWBNKJAGJSFX-CQSZACIVSA-N 1 0 322.453 1.125 10 0 DDAERO CCSCC[C@@H](C)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000173623234 162350922 /nfs/dbraw/zinc/35/09/22/162350922.db2.gz HUBYCIVBXVJBLC-CHWSQXEVSA-N 1 0 303.472 1.490 10 0 DDAERO Cc1ccsc1CNC(=O)CN1CC[C@H](N2CCOCC2)C1 ZINC000173989772 162386184 /nfs/dbraw/zinc/38/61/84/162386184.db2.gz ILEKTPPRSCHDRM-AWEZNQCLSA-N 1 0 323.462 1.079 10 0 DDAERO Cc1nccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000247039679 408394065 /nfs/dbraw/zinc/39/40/65/408394065.db2.gz MXGMKUXQOFOIPL-BXUZGUMPSA-N 1 0 319.409 1.033 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(Cc2nccn2-c2ccccc2)CC1 ZINC000191346566 408410559 /nfs/dbraw/zinc/41/05/59/408410559.db2.gz BZKGIAIWMGJFEX-KRWDZBQOSA-N 1 0 314.433 1.761 10 0 DDAERO CCOc1ccc(OCCN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc1 ZINC000247144081 408415433 /nfs/dbraw/zinc/41/54/33/408415433.db2.gz LDIQMJHXKCYNBO-CVEARBPZSA-N 1 0 322.449 1.851 10 0 DDAERO Cc1ccc(CNC(=O)CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000247141896 408416041 /nfs/dbraw/zinc/41/60/41/408416041.db2.gz JSRKFBBOIQPVCF-WBVHZDCISA-N 1 0 301.434 1.780 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(C(N)=O)cc1 ZINC000247210027 408430987 /nfs/dbraw/zinc/43/09/87/408430987.db2.gz LXFIQOKXQILWHZ-DOMZBBRYSA-N 1 0 316.405 1.164 10 0 DDAERO COc1cc(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)ccc1O ZINC000247517779 408486279 /nfs/dbraw/zinc/48/62/79/408486279.db2.gz WLOZPSCQHZDNPH-OCCSQVGLSA-N 1 0 319.405 1.779 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc2ccccc2c(=O)n1C ZINC000247399270 408465183 /nfs/dbraw/zinc/46/51/83/408465183.db2.gz PHRDWDHBGXHEMA-KGLIPLIRSA-N 1 0 312.417 1.602 10 0 DDAERO CC[C@@H]1CN(Cc2nc(CCC(C)C)no2)CC[N@@H+]1C[C@H](C)O ZINC000247404257 408465355 /nfs/dbraw/zinc/46/53/55/408465355.db2.gz YVCOTOGEDKLOEG-LSDHHAIUSA-N 1 0 324.469 1.935 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCCCN2CCOCC2)C1 ZINC000177195058 408550467 /nfs/dbraw/zinc/55/04/67/408550467.db2.gz WGPPXKBVQWRWQB-CVEARBPZSA-N 1 0 311.470 1.334 10 0 DDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccccc2-n2ccnn2)C1 ZINC000248374132 408552277 /nfs/dbraw/zinc/55/22/77/408552277.db2.gz NZAYLHTWHCAZCJ-DZGCQCFKSA-N 1 0 313.405 1.726 10 0 DDAERO C[NH+](C)CC[C@H](NC(=O)N[C@@H]1CCCn2ncnc21)C(C)(C)C ZINC000177340331 408584961 /nfs/dbraw/zinc/58/49/61/408584961.db2.gz ZWJYBVNOBPNERU-OLZOCXBDSA-N 1 0 322.457 1.779 10 0 DDAERO COC(=O)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248632964 408602596 /nfs/dbraw/zinc/60/25/96/408602596.db2.gz WYVNJRKVYVVDAQ-XQQFMLRXSA-N 1 0 312.410 1.785 10 0 DDAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+]C1CCC2(CC1)OCCO2 ZINC000161664330 408625443 /nfs/dbraw/zinc/62/54/43/408625443.db2.gz LHKBISAGBPIWCE-ZDUSSCGKSA-N 1 0 306.410 1.951 10 0 DDAERO O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3ccc4ccccc4n3)C2)N1 ZINC000192673335 408630744 /nfs/dbraw/zinc/63/07/44/408630744.db2.gz XWHFFEZNHYLKRK-KRWDZBQOSA-N 1 0 310.357 1.409 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCc1c(C)noc1C ZINC000177496444 408640274 /nfs/dbraw/zinc/64/02/74/408640274.db2.gz LRWHEOKCEIQLLB-AWEZNQCLSA-N 1 0 308.426 1.960 10 0 DDAERO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)cn1 ZINC000248895933 408655796 /nfs/dbraw/zinc/65/57/96/408655796.db2.gz UEGXYIVYETWRSS-WBVHZDCISA-N 1 0 318.465 1.690 10 0 DDAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc3nnn(C)c3c2)[C@@H](C)C1 ZINC000184877546 408708629 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CC(C)[C@H](CC[NH3+])CCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000079255614 185162481 /nfs/dbraw/zinc/16/24/81/185162481.db2.gz VWECLDFIXYAZKL-QWHCGFSZSA-N 1 0 304.456 1.033 10 0 DDAERO CC(C)[C@H]1CCCN(CC[NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000079414187 185170361 /nfs/dbraw/zinc/17/03/61/185170361.db2.gz JNSCKAORVDNBBB-LSDHHAIUSA-N 1 0 302.484 1.521 10 0 DDAERO CC(C)[C@@H](C[NH3+])NS(=O)(=O)c1cccc(Br)c1 ZINC000087404598 185223921 /nfs/dbraw/zinc/22/39/21/185223921.db2.gz PUCVXSOQRWMSTA-LLVKDONJSA-N 1 0 321.240 1.711 10 0 DDAERO CCC[C@@H](C[NH3+])C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000087519484 185227413 /nfs/dbraw/zinc/22/74/13/185227413.db2.gz LXGVSCUCNZLJTD-NSHDSACASA-N 1 0 313.423 1.250 10 0 DDAERO COc1nc(Nc2ccc(Br)cc2)nc(NN)[nH+]1 ZINC000087896806 185235707 /nfs/dbraw/zinc/23/57/07/185235707.db2.gz SOBPOEFBXSJQPN-UHFFFAOYSA-N 1 0 311.143 1.672 10 0 DDAERO Nc1cccc(Cl)c1SC[C@@H](O)CN1CC[NH2+]CC1 ZINC000088062000 185238705 /nfs/dbraw/zinc/23/87/05/185238705.db2.gz WOZHYQRPMWPMBH-JTQLQIEISA-N 1 0 301.843 1.280 10 0 DDAERO CC[C@@H]([NH3+])C[S@@](=O)Cc1c(Br)c(C)nn1C ZINC000088074321 185238967 /nfs/dbraw/zinc/23/89/67/185238967.db2.gz SZFYPOXWLOLORU-BCTVWOGZSA-N 1 0 308.245 1.477 10 0 DDAERO CCCNC(=O)Cn1c(N)[nH+]c2ccc(Br)cc21 ZINC000087836965 185232978 /nfs/dbraw/zinc/23/29/78/185232978.db2.gz CKAGLJCAXHPJQM-UHFFFAOYSA-N 1 0 311.183 1.907 10 0 DDAERO CC1(C)CN(c2nc(NN)[nH+]cc2Br)CCO1 ZINC000087854539 185233592 /nfs/dbraw/zinc/23/35/92/185233592.db2.gz AMKXGRSTVJMIGA-UHFFFAOYSA-N 1 0 302.176 1.140 10 0 DDAERO CN(CCN1CCCC1)c1nc(NN)[nH+]cc1Br ZINC000087870500 185234180 /nfs/dbraw/zinc/23/41/80/185234180.db2.gz ZQVNBSCWNLYHKF-UHFFFAOYSA-N 1 0 315.219 1.057 10 0 DDAERO CC[NH2+][C@H](CS(=O)(=O)CC(=O)OCC)c1ccc(C)cc1 ZINC000081977552 192347956 /nfs/dbraw/zinc/34/79/56/192347956.db2.gz PEEYUXODEFXLIR-CQSZACIVSA-N 1 0 313.419 1.624 10 0 DDAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCN(C)Cc1ccc(F)cc1 ZINC000173212264 539227510 /nfs/dbraw/zinc/22/75/10/539227510.db2.gz GULWSPSCDWNFAI-UKRRQHHQSA-N 1 0 307.413 1.843 10 0 DDAERO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000178690339 539232737 /nfs/dbraw/zinc/23/27/37/539232737.db2.gz RKTDJGNODDHDBC-WBVHZDCISA-N 1 0 320.437 1.006 10 0 DDAERO CCC[C@@H](C(=O)Nc1cnn(Cc2ccccn2)c1)[NH+](C)C ZINC000179147740 539233654 /nfs/dbraw/zinc/23/36/54/539233654.db2.gz MVUCJYNKJNNGSG-HNNXBMFYSA-N 1 0 301.394 1.995 10 0 DDAERO CCC[NH2+][C@@H](CS(=O)(=O)CC(=O)OCC)c1ccccc1 ZINC000081977202 192348346 /nfs/dbraw/zinc/34/83/46/192348346.db2.gz YXYMKEQFFPJQAO-AWEZNQCLSA-N 1 0 313.419 1.705 10 0 DDAERO CC(C)[N@H+]1C[C@H](NC(=O)Cc2ccc3c(c2)NC(=O)C3)[C@@H](C)C1 ZINC000183091445 539241026 /nfs/dbraw/zinc/24/10/26/539241026.db2.gz FPENKITUOZIZRZ-LRDDRELGSA-N 1 0 315.417 1.569 10 0 DDAERO C[NH2+]CCS(=O)(=O)N(C)[C@H](C)Cc1ccccc1OC ZINC000088244151 185243404 /nfs/dbraw/zinc/24/34/04/185243404.db2.gz QATCOZBCCXVNLC-GFCCVEGCSA-N 1 0 300.424 1.107 10 0 DDAERO CNC(=O)[C@H]([NH2+]C[C@H](O)COc1ccccc1Cl)C(C)C ZINC000183633457 539242490 /nfs/dbraw/zinc/24/24/90/539242490.db2.gz DVISXBDFVKRKKM-SMDDNHRTSA-N 1 0 314.813 1.440 10 0 DDAERO CNC(=O)[C@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C)C(C)C ZINC000183679696 539242866 /nfs/dbraw/zinc/24/28/66/539242866.db2.gz AUXFOYFHFYXLPC-CYBMUJFWSA-N 1 0 311.451 1.972 10 0 DDAERO CC[C@@H](C[NH3+])S(=O)(=O)N1CCN(C)C[C@@H]1c1ccccc1 ZINC000088471865 185251982 /nfs/dbraw/zinc/25/19/82/185251982.db2.gz UHMVMFOAONSFTB-LSDHHAIUSA-N 1 0 311.451 1.042 10 0 DDAERO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN(CC(F)(F)F)C1CC1 ZINC000088397552 185248540 /nfs/dbraw/zinc/24/85/40/185248540.db2.gz DNZPUMDHAJWXHC-KBPBESRZSA-N 1 0 302.340 1.944 10 0 DDAERO CCC[NH2+]Cc1ccc(S(=O)(=O)NC[C@H](C)COC)o1 ZINC000088543099 185256143 /nfs/dbraw/zinc/25/61/43/185256143.db2.gz FWEXTMJRGNJUMK-NSHDSACASA-N 1 0 304.412 1.340 10 0 DDAERO C[NH2+]C[C@@H]1CCCN(C(=O)c2sc3nccnc3c2N)C1 ZINC000088641329 185260924 /nfs/dbraw/zinc/26/09/24/185260924.db2.gz DTHWYQFBALQDNR-VIFPVBQESA-N 1 0 305.407 1.345 10 0 DDAERO CC(C)(C(N)=S)[NH+]1CCN(Cc2ccncc2Cl)CC1 ZINC000088781613 185265656 /nfs/dbraw/zinc/26/56/56/185265656.db2.gz WDRMUXJZHKTWBV-UHFFFAOYSA-N 1 0 312.870 1.917 10 0 DDAERO C[C@H]([NH2+]CC(=O)NCCO[C@H]1CCCC[C@H]1C)[C@H]1CCCO1 ZINC000248632278 539272275 /nfs/dbraw/zinc/27/22/75/539272275.db2.gz WUGUWCSNLHVBNF-FXUDXRNXSA-N 1 0 312.454 1.855 10 0 DDAERO Cc1ccc(C)c([C@@H]([NH3+])C[S@](=O)CCS(C)(=O)=O)c1 ZINC000081992396 192351823 /nfs/dbraw/zinc/35/18/23/192351823.db2.gz KJPVQQKOBIMBCK-UGSOOPFHSA-N 1 0 303.449 1.097 10 0 DDAERO CN1C(=O)CC[C@H]([NH2+]Cc2c[nH]nc2-c2cccs2)C1=O ZINC000090026601 185278858 /nfs/dbraw/zinc/27/88/58/185278858.db2.gz OBIWEIZNOGBMQW-JTQLQIEISA-N 1 0 304.375 1.375 10 0 DDAERO CCN(C1C[NH2+]C1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000090291549 185289621 /nfs/dbraw/zinc/28/96/21/185289621.db2.gz JJYWNOBICPZJSG-UHFFFAOYSA-N 1 0 304.799 1.331 10 0 DDAERO CCN(CC(=O)Nc1ccccc1Br)C1C[NH2+]C1 ZINC000090291884 185289642 /nfs/dbraw/zinc/28/96/42/185289642.db2.gz NOSFMFVJBHWNAB-UHFFFAOYSA-N 1 0 312.211 1.681 10 0 DDAERO C[NH2+]Cc1cn(CC(=O)Nc2nc3ccccc3s2)nn1 ZINC000090295471 185289966 /nfs/dbraw/zinc/28/99/66/185289966.db2.gz VZXUMJBTSDTKIH-UHFFFAOYSA-N 1 0 302.363 1.246 10 0 DDAERO CCc1nn(C)c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c1Br ZINC000090322526 185290910 /nfs/dbraw/zinc/29/09/10/185290910.db2.gz VHZSFWDQILQKFV-NXEZZACHSA-N 1 0 313.243 1.396 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000090337094 185291856 /nfs/dbraw/zinc/29/18/56/185291856.db2.gz UIHRQWSKTZKRCW-MWLCHTKSSA-N 1 0 316.373 1.583 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000090336934 185291883 /nfs/dbraw/zinc/29/18/83/185291883.db2.gz SIXAQUHRJWOMGA-GWCFXTLKSA-N 1 0 314.838 1.959 10 0 DDAERO [NH3+][C@H]1COC[C@@H]1c1nc(Cc2cccc(Br)c2)no1 ZINC000090364425 185292854 /nfs/dbraw/zinc/29/28/54/185292854.db2.gz OGOLROUZDRVRAR-QWRGUYRKSA-N 1 0 324.178 1.864 10 0 DDAERO [NH3+][C@@H]1COC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000090364338 185292862 /nfs/dbraw/zinc/29/28/62/185292862.db2.gz ZOLAFAYSBRBIDV-GHMZBOCLSA-N 1 0 324.178 1.864 10 0 DDAERO CCC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2COC[C@H]2[NH3+])c1 ZINC000090379882 185293530 /nfs/dbraw/zinc/29/35/30/185293530.db2.gz SXYQNCDGTUGZBF-MWLCHTKSSA-N 1 0 311.769 1.601 10 0 DDAERO C[C@@H](NC(=O)[C@@H]1COC[C@@H]1[NH3+])c1ccccc1Br ZINC000090379903 185293695 /nfs/dbraw/zinc/29/36/95/185293695.db2.gz KYRZPFQOFOOFQY-UISBYWKRSA-N 1 0 313.195 1.600 10 0 DDAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1cc(OC)c(OC)cc1Cl ZINC000090433319 185296377 /nfs/dbraw/zinc/29/63/77/185296377.db2.gz AGVDHDXJEMXYIH-KCJUWKMLSA-N 1 0 314.769 1.530 10 0 DDAERO C[C@]1(C(=O)N[C@@H]2CCSc3ccc(F)cc32)COC[C@@H]1[NH3+] ZINC000090586319 185305149 /nfs/dbraw/zinc/30/51/49/185305149.db2.gz QCWKCSLRIOWODN-ZLDLUXBVSA-N 1 0 310.394 1.843 10 0 DDAERO COC(=O)c1cc(NC(=O)[C@@]2(C)COC[C@@H]2[NH3+])ccc1Cl ZINC000090585393 185305160 /nfs/dbraw/zinc/30/51/60/185305160.db2.gz LSYBOWAVFKNJMR-FZMZJTMJSA-N 1 0 312.753 1.429 10 0 DDAERO COC(=O)c1cc(NC(=O)[C@]2(C)COC[C@H]2[NH3+])ccc1Cl ZINC000090585399 185305214 /nfs/dbraw/zinc/30/52/14/185305214.db2.gz LSYBOWAVFKNJMR-BXUZGUMPSA-N 1 0 312.753 1.429 10 0 DDAERO CCC[NH2+]CCCS(=O)(=O)N[C@H](C)c1c(C)noc1C ZINC000092343951 185313172 /nfs/dbraw/zinc/31/31/72/185313172.db2.gz AADVGQNDGXXBPB-LLVKDONJSA-N 1 0 303.428 1.662 10 0 DDAERO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(CO)cc1F ZINC000092678068 185333460 /nfs/dbraw/zinc/33/34/60/185333460.db2.gz GUJDRBFCVMHYDO-GFCCVEGCSA-N 1 0 316.398 1.033 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccccc1NC ZINC000092672937 185332948 /nfs/dbraw/zinc/33/29/48/185332948.db2.gz KYUJAFKPWXTOSJ-ZDUSSCGKSA-N 1 0 311.451 1.833 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(NC)cc1 ZINC000092634015 185330292 /nfs/dbraw/zinc/33/02/92/185330292.db2.gz BYBLNZSERJTSHP-AWEZNQCLSA-N 1 0 311.451 1.833 10 0 DDAERO CCn1cnc(S(=O)(=O)NC2(C[NH3+])CCCCCCC2)c1 ZINC000092889758 185347893 /nfs/dbraw/zinc/34/78/93/185347893.db2.gz YVHOVZIEXOVCIY-UHFFFAOYSA-N 1 0 314.455 1.623 10 0 DDAERO CCn1cnc(S(=O)(=O)N(CCC[NH3+])C2CCCCC2)c1 ZINC000092889767 185348053 /nfs/dbraw/zinc/34/80/53/185348053.db2.gz KOWPKMOPYMRAGY-UHFFFAOYSA-N 1 0 314.455 1.575 10 0 DDAERO CCN([C@H]1CCC[C@@H]1C[NH3+])S(=O)(=O)c1cn(CC)cn1 ZINC000092910641 185348616 /nfs/dbraw/zinc/34/86/16/185348616.db2.gz WURDNRQJHADHAE-NEPJUHHUSA-N 1 0 300.428 1.041 10 0 DDAERO CCn1cnc(S(=O)(=O)N(C)CC[C@H]2CCCC[NH2+]2)c1 ZINC000092910040 185348666 /nfs/dbraw/zinc/34/86/66/185348666.db2.gz TVSVWKCTHZTEKL-GFCCVEGCSA-N 1 0 300.428 1.056 10 0 DDAERO CCC[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cn(CC)cn2)C1 ZINC000092910936 185348667 /nfs/dbraw/zinc/34/86/67/185348667.db2.gz LRFGARUIGQSFRH-ZDUSSCGKSA-N 1 0 314.455 1.303 10 0 DDAERO CC(C)n1ncc2cc(C=CC(=O)NCC[C@@H](C)[NH3+])c(=O)[nH]c21 ZINC000255660238 282272656 /nfs/dbraw/zinc/27/26/56/282272656.db2.gz AKOCLMPMIOCVPG-DOGVGXBMSA-N 1 0 317.393 1.585 10 0 DDAERO COc1ccc(/C=C\C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1OC ZINC000255715535 282275970 /nfs/dbraw/zinc/27/59/70/282275970.db2.gz NKAHMHYXBUXFEM-IQCBXXCUSA-N 1 0 304.390 1.880 10 0 DDAERO Cc1nn(C)c2nc(C)cc(C(=O)N3CC[C@H]([NH3+])C(C)(C)C3)c12 ZINC000261801796 282284191 /nfs/dbraw/zinc/28/41/91/282284191.db2.gz HAYITEUOEWAWDO-ZDUSSCGKSA-N 1 0 315.421 1.785 10 0 DDAERO CCC(CC)[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)N1CCOCC1 ZINC000262681546 282293772 /nfs/dbraw/zinc/29/37/72/282293772.db2.gz XQZKEEFEFVZQMK-PMPSAXMXSA-N 1 0 311.470 1.367 10 0 DDAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cn(Cc2cccnc2)nn1 ZINC000183061978 199529445 /nfs/dbraw/zinc/52/94/45/199529445.db2.gz AKHVUJQXQKRXGI-KRWDZBQOSA-N 1 0 314.437 1.638 10 0 DDAERO CN(c1cc[nH+]cc1C(N)=O)[C@H]1CCCN(c2cccnn2)C1 ZINC000302046933 530037672 /nfs/dbraw/zinc/03/76/72/530037672.db2.gz VCHMIPHYGPNAJM-LBPRGKRZSA-N 1 0 312.377 1.076 10 0 DDAERO COCCCN(CCOC)c1c(F)cc(CC[NH3+])cc1F ZINC000111484573 185608412 /nfs/dbraw/zinc/60/84/12/185608412.db2.gz JDRCSTAGBGECEK-UHFFFAOYSA-N 1 0 302.365 1.955 10 0 DDAERO CC[NH2+][C@@H](C)[C@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 ZINC000111713705 185628987 /nfs/dbraw/zinc/62/89/87/185628987.db2.gz YKEFEZZPQMIMBE-GJZGRUSLSA-N 1 0 317.499 1.817 10 0 DDAERO CCC[NH2+][C@@H](C)[C@@H]1CCCN(S(=O)(=O)N(CC)CC)C1 ZINC000111713429 185628991 /nfs/dbraw/zinc/62/89/91/185628991.db2.gz RFSAJJKMRJJZMT-UONOGXRCSA-N 1 0 305.488 1.673 10 0 DDAERO C[NH2+][C@@H](C)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1F ZINC000111714945 185629705 /nfs/dbraw/zinc/62/97/05/185629705.db2.gz HVLONKVUWSYFQY-AAEUAGOBSA-N 1 0 300.399 1.977 10 0 DDAERO CCC[NH2+][C@@H](C)C1CCN(S(=O)(=O)N(C)C(C)C)CC1 ZINC000111714835 185629728 /nfs/dbraw/zinc/62/97/28/185629728.db2.gz VTHHOQYVSQQLLZ-ZDUSSCGKSA-N 1 0 305.488 1.672 10 0 DDAERO O=S(=O)(c1cccs1)N1CCC[C@@H](C[NH2+]C2CC2)C1 ZINC000111719644 185630690 /nfs/dbraw/zinc/63/06/90/185630690.db2.gz KLLZNVNOOZNDQU-NSHDSACASA-N 1 0 300.449 1.901 10 0 DDAERO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC[NH2+]C2CC2)C1 ZINC000675051675 539562700 /nfs/dbraw/zinc/56/27/00/539562700.db2.gz 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C[C@H]1CN(S(=O)(=O)c2ccc(C[NH3+])cc2F)C[C@H](C)S1 ZINC000092116225 193163863 /nfs/dbraw/zinc/16/38/63/193163863.db2.gz MWGIEWKQMWGJRQ-UWVGGRQHSA-N 1 0 318.439 1.799 10 0 DDAERO CC[C@@H]1CO[C@@H](C)CN1S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115880 193164595 /nfs/dbraw/zinc/16/45/95/193164595.db2.gz XWNIBLTZAGNFSR-CMPLNLGQSA-N 1 0 316.398 1.472 10 0 DDAERO O=C(N[C@@H]1CCCn2ncnc21)N1CC[NH+](C2CCCC2)CC1 ZINC000176587288 284049063 /nfs/dbraw/zinc/04/90/63/284049063.db2.gz BYXUCYAMOGPKRT-CQSZACIVSA-N 1 0 318.425 1.383 10 0 DDAERO C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1cccc(N2CCCC2)c1 ZINC000261782648 203117300 /nfs/dbraw/zinc/11/73/00/203117300.db2.gz NATDNBVJYCNFMM-XYPHTWIQSA-N 1 0 317.433 1.970 10 0 DDAERO Cc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)c2n[nH]cc21 ZINC000262043646 203183438 /nfs/dbraw/zinc/18/34/38/203183438.db2.gz YWUWCMGZNMOAES-KGLIPLIRSA-N 1 0 324.388 1.547 10 0 DDAERO C[C@H]1CN=C(N2CCN(C(=O)c3ccc(C[NH3+])cc3)CC2)S1 ZINC000262354048 203270663 /nfs/dbraw/zinc/27/06/63/203270663.db2.gz ZJWGENYCIQYZPP-LBPRGKRZSA-N 1 0 318.446 1.394 10 0 DDAERO [NH3+]CCOCC(=O)Nc1c(F)cc(Br)cc1F ZINC000093232348 193220279 /nfs/dbraw/zinc/22/02/79/193220279.db2.gz OGFSFULWDNLHKK-UHFFFAOYSA-N 1 0 309.110 1.641 10 0 DDAERO C[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)C(=O)NC1CCCCC1 ZINC000093519599 193263122 /nfs/dbraw/zinc/26/31/22/193263122.db2.gz MLCCHGBZQKKXRF-NSHDSACASA-N 1 0 304.456 1.237 10 0 DDAERO CC(C)CCCOC[C@@H](O)C[NH2+]CC(C)(C)S(C)(=O)=O ZINC000093519880 193263420 /nfs/dbraw/zinc/26/34/20/193263420.db2.gz SXZPUVPKLNXOOB-ZDUSSCGKSA-N 1 0 309.472 1.213 10 0 DDAERO CCC[NH2+][C@@]1(C(=O)[O-])CCC[C@@H]1CC[N@H+](C)CCCOC ZINC000093593585 193271794 /nfs/dbraw/zinc/27/17/94/193271794.db2.gz OPAFKRKIRKWIMR-ZBFHGGJFSA-N 1 0 300.443 1.968 10 0 DDAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCOCCOCCC ZINC000093625883 193276141 /nfs/dbraw/zinc/27/61/41/193276141.db2.gz DQORORHBBRVDBP-GDBMZVCRSA-N 1 0 300.443 1.844 10 0 DDAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@H]1CCSc1nccn1C ZINC000093628690 193276759 /nfs/dbraw/zinc/27/67/59/193276759.db2.gz PLMPUACFNYGDDH-SWLSCSKDSA-N 1 0 310.467 1.926 10 0 DDAERO CC[NH+](CC)CC[C@H](O)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093699751 193293137 /nfs/dbraw/zinc/29/31/37/193293137.db2.gz NMTCJVZLYIGJBD-KGLIPLIRSA-N 1 0 306.472 1.141 10 0 DDAERO CC[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cnn(C)c1 ZINC000093700520 193293808 /nfs/dbraw/zinc/29/38/08/193293808.db2.gz GROIFMPIHQQRIT-GXTWGEPZSA-N 1 0 314.455 1.132 10 0 DDAERO C[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc(C)n1 ZINC000093700285 193294186 /nfs/dbraw/zinc/29/41/86/193294186.db2.gz IREZQOXXAIWZGU-DZGCQCFKSA-N 1 0 311.451 1.712 10 0 DDAERO CC[NH2+]CC1(C[C@@H]2CCCN(S(C)(=O)=O)C2)CCOCC1 ZINC000093701605 193294995 /nfs/dbraw/zinc/29/49/95/193294995.db2.gz KJFPYOQSFADHKQ-AWEZNQCLSA-N 1 0 318.483 1.454 10 0 DDAERO Fc1cc2nc(C[C@@H]3C[NH2+]CCO3)[nH]c2cc1Br ZINC000093728740 193296309 /nfs/dbraw/zinc/29/63/09/193296309.db2.gz QNMMFKMATNVFLB-SSDOTTSWSA-N 1 0 314.158 1.995 10 0 DDAERO Fc1cc2nc(C[C@H]3C[NH2+]CCO3)[nH]c2cc1Br ZINC000093728741 193298686 /nfs/dbraw/zinc/29/86/86/193298686.db2.gz QNMMFKMATNVFLB-ZETCQYMHSA-N 1 0 314.158 1.995 10 0 DDAERO C[NH2+][C@@]1(CO)CCC[C@H](Sc2nnc(N(C)C)s2)C1 ZINC000093786002 193307771 /nfs/dbraw/zinc/30/77/71/193307771.db2.gz HSNFQYQRJGHXGV-CABZTGNLSA-N 1 0 302.469 1.589 10 0 DDAERO CC(C)C[NH2+]C[C@H]1CCCCN1S(=O)(=O)CCOC(C)C ZINC000093667762 193287295 /nfs/dbraw/zinc/28/72/95/193287295.db2.gz NAWGBDGLYAUVEX-OAHLLOKOSA-N 1 0 320.499 1.841 10 0 DDAERO CC(C)OCCS(=O)(=O)N1CCC[C@H]1C1CC[NH2+]CC1 ZINC000093665945 193287524 /nfs/dbraw/zinc/28/75/24/193287524.db2.gz PRQPYHMVAFWCEB-AWEZNQCLSA-N 1 0 304.456 1.205 10 0 DDAERO CC1(C)C([NH3+])C(C)(C)C1NS(=O)(=O)c1cncc(F)c1 ZINC000094006578 193338517 /nfs/dbraw/zinc/33/85/17/193338517.db2.gz WTEAZMIMUXZFCH-UHFFFAOYSA-N 1 0 301.387 1.261 10 0 DDAERO Cc1cc(C)nc(S[C@@H]2CC[C@]([NH2+]C3CC3)(C(N)=O)C2)n1 ZINC000093852365 193319053 /nfs/dbraw/zinc/31/90/53/193319053.db2.gz MAVPCSIFWWVHDF-IUODEOHRSA-N 1 0 306.435 1.714 10 0 DDAERO CC[NH2+][C@]1(C(N)=O)CC[C@@H](Sc2nnc(N(C)C)s2)C1 ZINC000093853715 193319736 /nfs/dbraw/zinc/31/97/36/193319736.db2.gz XBLDHCDPDADOOJ-PRHODGIISA-N 1 0 315.468 1.082 10 0 DDAERO CC[NH2+][C@]1(CO)CC[C@@H](Sc2nnc(N(C)C)s2)C1 ZINC000093859801 193320012 /nfs/dbraw/zinc/32/00/12/193320012.db2.gz RYIRIHPFNGPBTH-BXKDBHETSA-N 1 0 302.469 1.589 10 0 DDAERO CC[NH2+][C@]1(CO)CC[C@H](Sc2nnc(N(C)C)s2)C1 ZINC000093859799 193320288 /nfs/dbraw/zinc/32/02/88/193320288.db2.gz RYIRIHPFNGPBTH-JOYOIKCWSA-N 1 0 302.469 1.589 10 0 DDAERO CCCN(CC(C)(C)C[NH3+])C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000093877637 193322214 /nfs/dbraw/zinc/32/22/14/193322214.db2.gz DJLWSCGEQCSBFW-GFCCVEGCSA-N 1 0 304.456 1.035 10 0 DDAERO CN(CC(=O)Nc1ccc(F)c(F)c1F)CC(C)(C)C[NH3+] ZINC000093874406 193322244 /nfs/dbraw/zinc/32/22/44/193322244.db2.gz VPEMELKXTKUDGA-UHFFFAOYSA-N 1 0 303.328 1.959 10 0 DDAERO CCCN1CCO[C@H]([C@@H](Cc2c(Cl)c(C)nn2C)[NH2+]C)C1 ZINC000093920048 193328645 /nfs/dbraw/zinc/32/86/45/193328645.db2.gz IRORRYDTYYMFFN-OCCSQVGLSA-N 1 0 314.861 1.623 10 0 DDAERO CC[C@@H]([NH3+])[C@H](c1sccc1C)N(C)CCS(C)(=O)=O ZINC000094297377 193356590 /nfs/dbraw/zinc/35/65/90/193356590.db2.gz USUWVFCJTDVTAF-VXGBXAGGSA-N 1 0 304.481 1.811 10 0 DDAERO C[NH+](C)CCCCNc1nc(C(F)(F)F)ccc1C(N)=O ZINC000094335227 193360484 /nfs/dbraw/zinc/36/04/84/193360484.db2.gz FJEDOTSQUMDPJX-UHFFFAOYSA-N 1 0 304.316 1.953 10 0 DDAERO NC(=O)c1ccc(C(F)(F)F)nc1O[C@H]1CCC[C@@H]1C[NH3+] ZINC000094337728 193361351 /nfs/dbraw/zinc/36/13/51/193361351.db2.gz RADCXRYADROKAQ-APPZFPTMSA-N 1 0 303.284 1.706 10 0 DDAERO CCC[NH2+][C@@H](C)c1csc(N2C(=O)C(C)(C)S2(=O)=O)n1 ZINC000094344208 193362324 /nfs/dbraw/zinc/36/23/24/193362324.db2.gz VFXBNKFEVLWMPW-QMMMGPOBSA-N 1 0 317.436 1.659 10 0 DDAERO Cc1cc(N)c(C)c(S(=O)(=O)NC[C@H]2CCCC[N@H+]2C)c1 ZINC000094358597 193364504 /nfs/dbraw/zinc/36/45/04/193364504.db2.gz GOABOFDQRNYWEM-CYBMUJFWSA-N 1 0 311.451 1.648 10 0 DDAERO CC(C)N(CC1CC[NH2+]CC1)c1ccccc1S(N)(=O)=O ZINC000094044426 193341061 /nfs/dbraw/zinc/34/10/61/193341061.db2.gz IWABMTVBRMHQGN-UHFFFAOYSA-N 1 0 311.451 1.548 10 0 DDAERO Cc1cc(NC(=O)[C@]2(C)COC[C@@H]2[NH3+])ncc1Br ZINC000094063678 193342447 /nfs/dbraw/zinc/34/24/47/193342447.db2.gz JCUFGLZEEOBVLY-JOYOIKCWSA-N 1 0 314.183 1.455 10 0 DDAERO Cc1c(N[C@H](C)C[NH+]2CCCC2)cc(N)cc1S(N)(=O)=O ZINC000094359939 193365166 /nfs/dbraw/zinc/36/51/66/193365166.db2.gz YOJPOHGKRWHMGS-SNVBAGLBSA-N 1 0 312.439 1.121 10 0 DDAERO CC[C@@](C)([NH3+])C(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000094233517 193352811 /nfs/dbraw/zinc/35/28/11/193352811.db2.gz ULYKSRXWWOUNQL-LLVKDONJSA-N 1 0 305.787 1.053 10 0 DDAERO CCC([NH3+])(CC)C(=O)N1CCN(Cc2csc(C)n2)CC1 ZINC000094244747 193354443 /nfs/dbraw/zinc/35/44/43/193354443.db2.gz JVOGXFADOZXHMD-UHFFFAOYSA-N 1 0 310.467 1.613 10 0 DDAERO COCCC[N@H+](CCOC)C[C@@H]1C(=O)C(C)(C)OC1(C)C ZINC000094429045 193368583 /nfs/dbraw/zinc/36/85/83/193368583.db2.gz DTQBXHWNNOPPEP-CYBMUJFWSA-N 1 0 301.427 1.744 10 0 DDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc(S(C)(=O)=O)cc1N ZINC000094457686 193370849 /nfs/dbraw/zinc/37/08/49/193370849.db2.gz HIUPMBKGQIUAEM-VXGBXAGGSA-N 1 0 309.435 1.345 10 0 DDAERO Cc1ccc(N)cc1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000094457268 193371103 /nfs/dbraw/zinc/37/11/03/193371103.db2.gz HXRBGKUGWNEUPC-JSGCOSHPSA-N 1 0 309.435 1.434 10 0 DDAERO [NH3+][C@H]([C@H]1CCOC2(CCSCC2)C1)[C@@H]1CN2CCN1CC2 ZINC000094508619 193375436 /nfs/dbraw/zinc/37/54/36/193375436.db2.gz DLPNZLWSYCAMMQ-SOUVJXGZSA-N 1 0 311.495 1.006 10 0 DDAERO [NH3+]CCc1cn(CC(=O)Nc2ccccc2Br)cn1 ZINC000094529557 193376369 /nfs/dbraw/zinc/37/63/69/193376369.db2.gz BQHGJIINHLIMDC-UHFFFAOYSA-N 1 0 323.194 1.786 10 0 DDAERO C[C@H]1C[C@@H]([NH3+])CN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000094550416 193378926 /nfs/dbraw/zinc/37/89/26/193378926.db2.gz UGNXSQRDTUHRGQ-DTWKUNHWSA-N 1 0 306.790 1.837 10 0 DDAERO [NH3+]C[C@@H]1CC[C@H](C(=O)NCc2cccc(Br)c2)O1 ZINC000094570602 193381080 /nfs/dbraw/zinc/38/10/80/193381080.db2.gz OWIWUNUCWIQMBH-NWDGAFQWSA-N 1 0 313.195 1.572 10 0 DDAERO CC(C)C[NH2+]C[C@@H](Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000094976348 193410383 /nfs/dbraw/zinc/41/03/83/193410383.db2.gz VCWYCPHDOOPIJN-CHWSQXEVSA-N 1 0 316.492 1.982 10 0 DDAERO CS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000094750352 193395471 /nfs/dbraw/zinc/39/54/71/193395471.db2.gz YKYUXMJNEJFLCT-NWDGAFQWSA-N 1 0 311.407 1.331 10 0 DDAERO Cc1n[nH]c(C[NH2+]C2CC2)c1S(=O)(=O)N1CCC(C)(C)C1 ZINC000094814945 193399784 /nfs/dbraw/zinc/39/97/84/193399784.db2.gz PMGVWFHQBYTQSJ-UHFFFAOYSA-N 1 0 312.439 1.391 10 0 DDAERO C[C@H](CC(=O)N1CCOCC1)[NH2+][C@H](C)[C@H](O)c1ccc(O)cc1 ZINC000008328512 181548735 /nfs/dbraw/zinc/54/87/35/181548735.db2.gz ZVHPHSYDFMZOHV-XNJGSVPQSA-N 1 0 322.405 1.041 10 0 DDAERO COCOc1ccc([C@@H]2C[C@H]2C(=O)NCCC[NH+](C)C)cc1 ZINC000096567502 193680303 /nfs/dbraw/zinc/68/03/03/193680303.db2.gz UWIWTUNEIVGIGJ-JKSUJKDBSA-N 1 0 306.406 1.841 10 0 DDAERO C[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@]1(C)CCCS1 ZINC000097309485 193706683 /nfs/dbraw/zinc/70/66/83/193706683.db2.gz QWZLFBXCBMCFJC-BFHYXJOUSA-N 1 0 320.524 1.922 10 0 DDAERO Cc1nc(Cl)ccc1S(=O)(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000288336711 220092201 /nfs/dbraw/zinc/09/22/01/220092201.db2.gz XMNTXUCYYDPMQG-MWLCHTKSSA-N 1 0 317.842 1.614 10 0 DDAERO CCOC(=O)c1n[nH]cc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000019799034 182151514 /nfs/dbraw/zinc/15/15/14/182151514.db2.gz RCFUOIZQXHUVEM-AWEZNQCLSA-N 1 0 306.410 1.647 10 0 DDAERO [NH3+][C@H](c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccccc1Cl ZINC000020023361 182179591 /nfs/dbraw/zinc/17/95/91/182179591.db2.gz PIQRZMCJTHAQFX-CYBMUJFWSA-N 1 0 301.733 1.918 10 0 DDAERO O=C(c1coc(Br)c1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404070485 307297778 /nfs/dbraw/zinc/29/77/78/307297778.db2.gz LGJFSYJQMSCWHV-VHSXEESVSA-N 1 0 315.167 1.245 10 0 DDAERO C[C@@H]1CN(C(=O)NC2CCCCC2)C[C@H](C)N1CC[NH+](C)C ZINC000036126255 182805221 /nfs/dbraw/zinc/80/52/21/182805221.db2.gz BPXNAAAHHYUHHW-GASCZTMLSA-N 1 0 310.486 1.985 10 0 DDAERO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[C@H](C)[NH3+] ZINC000037725336 182920564 /nfs/dbraw/zinc/92/05/64/182920564.db2.gz CWASZMUPNWUZCH-IUCAKERBSA-N 1 0 315.211 1.852 10 0 DDAERO CC[N@@H+]1CCC[C@H](Nc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000040503139 183084533 /nfs/dbraw/zinc/08/45/33/183084533.db2.gz VKKCYOLHCVAOKR-AWEZNQCLSA-N 1 0 311.451 1.833 10 0 DDAERO COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2C[C@H](OC)C[NH2+]2)c1 ZINC000040633199 183111607 /nfs/dbraw/zinc/11/16/07/183111607.db2.gz SVCHTNMXRAWBLN-JOYOIKCWSA-N 1 0 312.753 1.442 10 0 DDAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2cccc(OC(F)(F)F)c2)C1 ZINC000040630858 183111628 /nfs/dbraw/zinc/11/16/28/183111628.db2.gz ADHDDYRKTHBGJO-MNOVXSKESA-N 1 0 304.268 1.901 10 0 DDAERO Cc1n[nH]c(C)c1S(=O)(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000040809497 183136946 /nfs/dbraw/zinc/13/69/46/183136946.db2.gz HXJBYVRWIGOOAH-LBPRGKRZSA-N 1 0 302.444 1.281 10 0 DDAERO COC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1C[C@H](OC)C[NH2+]1 ZINC000040852822 183141954 /nfs/dbraw/zinc/14/19/54/183141954.db2.gz UXVMAAMREJSGAM-UWVGGRQHSA-N 1 0 312.391 1.467 10 0 DDAERO COC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000040852825 183142302 /nfs/dbraw/zinc/14/23/02/183142302.db2.gz UXVMAAMREJSGAM-VHSXEESVSA-N 1 0 312.391 1.467 10 0 DDAERO CCN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)Cc1cc(C)on1 ZINC000040748043 183128739 /nfs/dbraw/zinc/12/87/39/183128739.db2.gz XPWYGMLKCQRZJV-ONXXMXGDSA-N 1 0 313.423 1.418 10 0 DDAERO CN(c1ccccc1)c1nc[nH+]c(NN2CCN(C)CC2)c1N ZINC000040756832 183129645 /nfs/dbraw/zinc/12/96/45/183129645.db2.gz REPIUDTXLQCPSG-UHFFFAOYSA-N 1 0 313.409 1.401 10 0 DDAERO COC(=O)c1ccccc1Nc1nc[nH+]c(NN(C)C)c1N ZINC000040759920 183130789 /nfs/dbraw/zinc/13/07/89/183130789.db2.gz YDRCYFFVHYUHFU-UHFFFAOYSA-N 1 0 302.338 1.478 10 0 DDAERO CC(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cc(N)cs2)C1 ZINC000041068613 183162633 /nfs/dbraw/zinc/16/26/33/183162633.db2.gz FOMQJLKAILPQGU-JTQLQIEISA-N 1 0 303.453 1.339 10 0 DDAERO C[C@@H](CCCC[NH3+])Nc1cnn(C)c(=O)c1Br ZINC000336706993 249230581 /nfs/dbraw/zinc/23/05/81/249230581.db2.gz LQBYGZSVDCAPIM-QMMMGPOBSA-N 1 0 303.204 1.472 10 0 DDAERO CCC(=O)c1cccc(S(=O)(=O)NCCCC[NH+](C)C)c1 ZINC000041681752 183216705 /nfs/dbraw/zinc/21/67/05/183216705.db2.gz HYVRPQRWVQLRDA-UHFFFAOYSA-N 1 0 312.435 1.899 10 0 DDAERO CC[C@H]([NH3+])Cc1cccc(Br)c1O[C@H](C)C(N)=O ZINC000042412902 183266925 /nfs/dbraw/zinc/26/69/25/183266925.db2.gz WMDOHVWYAWHLCY-SCZZXKLOSA-N 1 0 315.211 1.982 10 0 DDAERO CC(C)C[C@@H](CNC(=O)[C@@H](C)NC(=O)c1ccco1)[NH+](C)C ZINC000042584365 183287839 /nfs/dbraw/zinc/28/78/39/183287839.db2.gz HEGTZLPRZKYOCP-OLZOCXBDSA-N 1 0 309.410 1.490 10 0 DDAERO CC[C@@H](C)N(CCOC)S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000042589088 183288803 /nfs/dbraw/zinc/28/88/03/183288803.db2.gz KVBCUPXNCRHAMW-GFCCVEGCSA-N 1 0 300.424 1.581 10 0 DDAERO COc1cccc([C@@H](Sc2nc(N)cc(N)n2)[C@@H](C)[NH3+])c1 ZINC000043033070 183331069 /nfs/dbraw/zinc/33/10/69/183331069.db2.gz LBBNONGJUYGETB-OQPBUACISA-N 1 0 305.407 1.830 10 0 DDAERO CCN(CC(F)(F)F)S(=O)(=O)CCC1CC[NH2+]CC1 ZINC000042781292 183308412 /nfs/dbraw/zinc/30/84/12/183308412.db2.gz DITKPONEFNDEIK-UHFFFAOYSA-N 1 0 302.362 1.590 10 0 DDAERO CCCN(CC(F)(F)F)S(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000042782487 183308894 /nfs/dbraw/zinc/30/88/94/183308894.db2.gz KERGFVWQUDDCEO-SNVBAGLBSA-N 1 0 302.362 1.733 10 0 DDAERO CC(C)[NH2+]CCS(=O)(=O)N1CCc2sccc2[C@@H]1C ZINC000042782412 183309146 /nfs/dbraw/zinc/30/91/46/183309146.db2.gz IPRDOHYDTPUXAD-NSHDSACASA-N 1 0 302.465 1.995 10 0 DDAERO C[C@H]1CC[C@@H](C(N)=O)CN1[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000043253780 183348334 /nfs/dbraw/zinc/34/83/34/183348334.db2.gz SLYWBCVNXNKRQR-AEJSXWLSSA-N 1 0 301.843 1.987 10 0 DDAERO [NH3+][C@@H](c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300013 183352169 /nfs/dbraw/zinc/35/21/69/183352169.db2.gz BBFNLYGGQYHXMU-KOLCDFICSA-N 1 0 304.209 1.884 10 0 DDAERO C[C@H]([NH3+])[C@H](Oc1cccc(S(C)(=O)=O)c1)c1ccncc1 ZINC000043356236 183356832 /nfs/dbraw/zinc/35/68/32/183356832.db2.gz RLTXVGCCTUGIEF-NHYWBVRUSA-N 1 0 306.387 1.952 10 0 DDAERO CC(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(N)cc2F)C1 ZINC000043592954 183374626 /nfs/dbraw/zinc/37/46/26/183374626.db2.gz VDLZTPYPISRFOQ-LLVKDONJSA-N 1 0 315.414 1.417 10 0 DDAERO C[C@H](O)c1ccc(S(=O)(=O)NCC(C)(C)[NH+](C)C)cc1 ZINC000043412610 183360552 /nfs/dbraw/zinc/36/05/52/183360552.db2.gz SINDBFMQBGXGAO-NSHDSACASA-N 1 0 300.424 1.358 10 0 DDAERO C[NH+](C)CC1CCN(S(=O)(=O)c2c(N)cccc2F)CC1 ZINC000045147961 183485079 /nfs/dbraw/zinc/48/50/79/183485079.db2.gz ZGPMURBNYBELJQ-UHFFFAOYSA-N 1 0 315.414 1.370 10 0 DDAERO Cc1ccccc1C(C)(C)CNC(=O)NC[C@H]1CN(C)CCO1 ZINC000104794705 194040118 /nfs/dbraw/zinc/04/01/18/194040118.db2.gz WRBXFJDWYWXXOG-HNNXBMFYSA-N 1 0 319.449 1.902 10 0 DDAERO CO[C@H]1C[C@@H](CN(C)c2nc3ccccc3c(=O)[nH]2)[N@H+](C)C1 ZINC000284630557 218106955 /nfs/dbraw/zinc/10/69/55/218106955.db2.gz URQWFKXFUXXOQI-RYUDHWBXSA-N 1 0 302.378 1.491 10 0 DDAERO O=C(N[C@@H]1COc2ccccc21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105205714 194084940 /nfs/dbraw/zinc/08/49/40/194084940.db2.gz MZDZBYAREUZMBY-UKRRQHHQSA-N 1 0 301.390 2.000 10 0 DDAERO CC[C@@H]1CN(CC(=O)Nc2ccccc2F)CC[N@@H+]1CCOC ZINC000105836194 194142351 /nfs/dbraw/zinc/14/23/51/194142351.db2.gz MBHKTBWLNQDMJB-CQSZACIVSA-N 1 0 323.412 1.807 10 0 DDAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)C(=O)Nc1cccnc1Cl ZINC000105871353 194150842 /nfs/dbraw/zinc/15/08/42/194150842.db2.gz DBXKPIOEZFMSHO-NXEZZACHSA-N 1 0 320.784 1.258 10 0 DDAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1)CC2 ZINC000105872657 194153397 /nfs/dbraw/zinc/15/33/97/194153397.db2.gz LYEMWUPNKVHWRW-TZMCWYRMSA-N 1 0 313.405 1.772 10 0 DDAERO COC(=O)c1coc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000105884570 194156784 /nfs/dbraw/zinc/15/67/84/194156784.db2.gz RPVYOOWNNVJHSW-LBPRGKRZSA-N 1 0 304.350 1.570 10 0 DDAERO C[NH+](C)C[C@H]1CN(C[C@H](O)c2cc(F)ccc2F)CCO1 ZINC000105904470 194166160 /nfs/dbraw/zinc/16/61/60/194166160.db2.gz GRHBVDOCYCUHLL-WFASDCNBSA-N 1 0 300.349 1.261 10 0 DDAERO COc1ccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1O ZINC000105905162 194166192 /nfs/dbraw/zinc/16/61/92/194166192.db2.gz AETJDBHTTBPRAD-AWEZNQCLSA-N 1 0 314.389 1.949 10 0 DDAERO C[C@@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)Cn1cccn1 ZINC000106458780 194217909 /nfs/dbraw/zinc/21/79/09/194217909.db2.gz WDLQMKISOCDLBC-DOTOQJQBSA-N 1 0 314.433 1.808 10 0 DDAERO CCCN(C1(C[NH3+])CCCCC1)S(=O)(=O)N1CCCC1 ZINC000050092769 183772389 /nfs/dbraw/zinc/77/23/89/183772389.db2.gz YSQUUZLIFYKBRG-UHFFFAOYSA-N 1 0 303.472 1.701 10 0 DDAERO C[C@@H]1CCC[C@](C[NH3+])(N(C)S(=O)(=O)N2CCCC[C@@H]2C)C1 ZINC000050092901 183772392 /nfs/dbraw/zinc/77/23/92/183772392.db2.gz VIUCKKXSCFIODC-ILXRZTDVSA-N 1 0 317.499 1.945 10 0 DDAERO C[C@@H](C(N)=S)[NH+]1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000109456605 194264631 /nfs/dbraw/zinc/26/46/31/194264631.db2.gz ZUGKKTFRZOSYNK-NSHDSACASA-N 1 0 309.410 1.187 10 0 DDAERO C[C@@H](C[NH3+])N1CCN(C(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000109447833 194264695 /nfs/dbraw/zinc/26/46/95/194264695.db2.gz AMMJAKYETLCRAK-VIFPVBQESA-N 1 0 301.312 1.209 10 0 DDAERO NNc1ccc(C(=O)Nc2ncc(Br)s2)c[nH+]1 ZINC000051091056 183814348 /nfs/dbraw/zinc/81/43/48/183814348.db2.gz UMXNDHZVXOUWRQ-UHFFFAOYSA-N 1 0 314.168 1.839 10 0 DDAERO Cc1cccc(CC(=O)N2CC[NH+]([C@@H](C)C(N)=S)CC2)c1 ZINC000109459509 194265975 /nfs/dbraw/zinc/26/59/75/194265975.db2.gz QIZOGAXADJDWPS-ZDUSSCGKSA-N 1 0 305.447 1.356 10 0 DDAERO CCC[C@@H](C(N)=S)[NH+]1CCN(CCCC(=O)OC)CC1 ZINC000109470137 194267544 /nfs/dbraw/zinc/26/75/44/194267544.db2.gz WAPUNYBVOMTHFI-LBPRGKRZSA-N 1 0 301.456 1.012 10 0 DDAERO C[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)c(N)c2)CC1(C)C ZINC000110704312 194351603 /nfs/dbraw/zinc/35/16/03/194351603.db2.gz GDHIKDDMGHIMHR-UHFFFAOYSA-N 1 0 310.829 1.887 10 0 DDAERO COc1cc(C)c(S(=O)(=O)NCC[NH2+]C(C)C)c(C)c1 ZINC000054266929 183932479 /nfs/dbraw/zinc/93/24/79/183932479.db2.gz AYJHOAYBKQOHHA-UHFFFAOYSA-N 1 0 300.424 1.588 10 0 DDAERO CN(Cc1ccccc1)S(=O)(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000110792428 194359438 /nfs/dbraw/zinc/35/94/38/194359438.db2.gz UWQCODVDBWQPHA-CQSZACIVSA-N 1 0 311.451 1.343 10 0 DDAERO COc1ccccc1[C@H](SCCS(C)(=O)=O)[C@@H](C)[NH3+] ZINC000111004616 194380692 /nfs/dbraw/zinc/38/06/92/194380692.db2.gz IPXPERGXQDOOCZ-ZWNOBZJWSA-N 1 0 303.449 1.861 10 0 DDAERO C[C@@H](C(=O)Nc1ccc(C(N)=S)cc1)N(C)CC[NH+](C)C ZINC000111137402 194394185 /nfs/dbraw/zinc/39/41/85/194394185.db2.gz DUXKPFNKKYABBB-NSHDSACASA-N 1 0 308.451 1.141 10 0 DDAERO CC[NH2+]C[C@H](C)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000061231358 184166588 /nfs/dbraw/zinc/16/65/88/184166588.db2.gz GSAVOYRXCLBIPU-JTQLQIEISA-N 1 0 313.423 1.135 10 0 DDAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(NS(C)(=O)=O)c(C)c1 ZINC000061233185 184166659 /nfs/dbraw/zinc/16/66/59/184166659.db2.gz NUBQOBZLICFBEU-NSHDSACASA-N 1 0 313.423 1.551 10 0 DDAERO CC[NH2+][C@H](C)CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000061272207 184167444 /nfs/dbraw/zinc/16/74/44/184167444.db2.gz WBLFUOZKMFBPIB-MGPQQGTHSA-N 1 0 300.468 1.888 10 0 DDAERO CC[NH2+]C(C)(C)C(=O)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000061295147 184167621 /nfs/dbraw/zinc/16/76/21/184167621.db2.gz GGPJWSXUIKDOHI-QWHCGFSZSA-N 1 0 300.468 1.888 10 0 DDAERO COCCN(C)CC[NH2+]C[C@H](O)COC1CCC(C)CC1 ZINC000061378512 184169363 /nfs/dbraw/zinc/16/93/63/184169363.db2.gz SHRUFJTYPMOKJG-PCKAHOCUSA-N 1 0 302.459 1.110 10 0 DDAERO CCCn1c(S[C@@H](c2ccccn2)[C@H]([NH3+])CC)n[nH]c1=O ZINC000061594969 184176715 /nfs/dbraw/zinc/17/67/15/184176715.db2.gz RSPBQECOOFGYEG-ZYHUDNBSSA-N 1 0 307.423 1.947 10 0 DDAERO [NH3+]C[C@@H](c1cc(Cl)c2c(c1)OCCO2)N1CCCOCC1 ZINC000061916609 184195133 /nfs/dbraw/zinc/19/51/33/184195133.db2.gz JEIBOJWRAIAHKS-ZDUSSCGKSA-N 1 0 312.797 1.833 10 0 DDAERO [NH3+]Cc1ccc(CN2CCN(CC(F)(F)F)CC2)c(F)c1 ZINC000061940949 184197374 /nfs/dbraw/zinc/19/73/74/184197374.db2.gz VPRPAGKHAJXJPO-UHFFFAOYSA-N 1 0 305.319 1.964 10 0 DDAERO CNS(=O)(=O)c1ccccc1N(C)c1ccc(C[NH3+])cc1 ZINC000061950892 184198421 /nfs/dbraw/zinc/19/84/21/184198421.db2.gz BLZZZKSCXWPSLH-UHFFFAOYSA-N 1 0 305.403 1.821 10 0 DDAERO C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000061950897 184198526 /nfs/dbraw/zinc/19/85/26/184198526.db2.gz NARXXHSWWDZNSG-SDDRHHMPSA-N 1 0 307.360 1.456 10 0 DDAERO Clc1ccc(-n2cnnn2)cc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000061981492 184199561 /nfs/dbraw/zinc/19/95/61/184199561.db2.gz CRCNVZGSUPKJIR-JTQLQIEISA-N 1 0 304.785 1.964 10 0 DDAERO C[C@@H]1CC[C@H](CNC(=O)c2ccc(S(C)(=O)=O)cc2)C[NH2+]1 ZINC000062036689 184202734 /nfs/dbraw/zinc/20/27/34/184202734.db2.gz MSMQVRDTIIQCHP-NEPJUHHUSA-N 1 0 310.419 1.208 10 0 DDAERO CCOC(=O)[C@H](CC[NH+]1CCC(OCC)CC1)NC(C)C ZINC000062453344 184236607 /nfs/dbraw/zinc/23/66/07/184236607.db2.gz FHEGALLPBXKVMH-HNNXBMFYSA-N 1 0 300.443 1.807 10 0 DDAERO Cc1cc(CC(=O)N2C[C@H](C)N(CCC[NH+](C)C)[C@@H](C)C2)no1 ZINC000062454837 184237550 /nfs/dbraw/zinc/23/75/50/184237550.db2.gz AHEHYZRZPMYBKS-KBPBESRZSA-N 1 0 322.453 1.398 10 0 DDAERO CNC(=O)[C@@H](C)Oc1ccc(C[C@@H](C)[NH3+])cc1Br ZINC000062704432 184248649 /nfs/dbraw/zinc/24/86/49/184248649.db2.gz BYUGNCVDDZDAIP-RKDXNWHRSA-N 1 0 315.211 1.852 10 0 DDAERO CC[C@@H]([NH3+])Cc1ccc(OCCC(N)=O)c(Br)c1 ZINC000062705270 184248687 /nfs/dbraw/zinc/24/86/87/184248687.db2.gz IMZFFYFIGQGBQA-SNVBAGLBSA-N 1 0 315.211 1.983 10 0 DDAERO C[C@@H]1CN[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2F)C[NH2+]1 ZINC000062815762 184254123 /nfs/dbraw/zinc/25/41/23/184254123.db2.gz KTCLBWQDHRPAJC-HQJQHLMTSA-N 1 0 305.275 1.733 10 0 DDAERO C[C@H]1CN[C@H](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C[NH2+]1 ZINC000062814707 184254306 /nfs/dbraw/zinc/25/43/06/184254306.db2.gz YLSLDNFLOKNUQQ-CPCISQLKSA-N 1 0 305.275 1.733 10 0 DDAERO CC[C@]1(C(=O)N2CCN(Cc3ccsc3)CC2)CC[NH2+]C1 ZINC000062894719 184258845 /nfs/dbraw/zinc/25/88/45/184258845.db2.gz SQAHKPGUSHWDBA-INIZCTEOSA-N 1 0 307.463 1.782 10 0 DDAERO Cc1cc(N)ccc1S(=O)(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062940624 184261142 /nfs/dbraw/zinc/26/11/42/184261142.db2.gz UPJCOJRNLUYXQW-CQSZACIVSA-N 1 0 309.435 1.436 10 0 DDAERO [NH3+]CCCS(=O)(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000062657362 184246429 /nfs/dbraw/zinc/24/64/29/184246429.db2.gz DQJPFYXDETVUKZ-UHFFFAOYSA-N 1 0 300.277 1.935 10 0 DDAERO CC[NH2+]Cc1ccc(OCCC(N)=O)c(Br)c1 ZINC000062701075 184247544 /nfs/dbraw/zinc/24/75/44/184247544.db2.gz LSGWNPPQCXOAEZ-UHFFFAOYSA-N 1 0 301.184 1.813 10 0 DDAERO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(F)ccc2N)C1 ZINC000062975691 184263490 /nfs/dbraw/zinc/26/34/90/184263490.db2.gz UMATYDSCKNEOPI-GFCCVEGCSA-N 1 0 315.414 1.513 10 0 DDAERO Cc1cc(N)ccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062975746 184264101 /nfs/dbraw/zinc/26/41/01/184264101.db2.gz TYBKICWZGKDCFM-CQSZACIVSA-N 1 0 309.435 1.436 10 0 DDAERO C[NH2+][C@@H](CCCS(C)(=O)=O)c1ccc(OC)c(OC)c1 ZINC000063016752 184266950 /nfs/dbraw/zinc/26/69/50/184266950.db2.gz QQCWOCCDCZFBDC-LBPRGKRZSA-N 1 0 301.408 1.789 10 0 DDAERO CC(C)[NH2+]C[C@@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 ZINC000063138654 184273137 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RBCVSVUCIQCDIF-HOCLYGCPSA-N 1 0 320.437 1.377 10 0 DDAERO CC[NH2+][C@H]1c2ccccc2OC[C@H]1SCCS(C)(=O)=O ZINC000081768605 192323365 /nfs/dbraw/zinc/32/33/65/192323365.db2.gz VDBYSEOVXYNJLU-KGLIPLIRSA-N 1 0 315.460 1.876 10 0 DDAERO Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000081813715 192328672 /nfs/dbraw/zinc/32/86/72/192328672.db2.gz SOSKRHBTCIVUGN-OAHLLOKOSA-N 1 0 313.405 1.913 10 0 DDAERO [NH3+][C@H]1CCC2(C[C@H]1Sc1ncnc3[nH]cnc31)OCCO2 ZINC000081876577 192332523 /nfs/dbraw/zinc/33/25/23/192332523.db2.gz CRHLKMUXVBJIOP-DTWKUNHWSA-N 1 0 307.379 1.068 10 0 DDAERO CC[NH2+][C@@H]1CCOC[C@H]1Sc1nnnn1-c1ccccc1 ZINC000081869227 192332681 /nfs/dbraw/zinc/33/26/81/192332681.db2.gz LDGJUKFUJHRNFE-CHWSQXEVSA-N 1 0 305.407 1.521 10 0 DDAERO CCC[NH2+][C@H]1CCOC[C@H]1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000081934645 192342425 /nfs/dbraw/zinc/34/24/25/192342425.db2.gz ZMFNPAHTTWJRID-UONOGXRCSA-N 1 0 319.373 1.896 10 0 DDAERO CN(CC[NH+](C)C)C(=O)c1ccc(N)c(Br)c1 ZINC000078895539 185124573 /nfs/dbraw/zinc/12/45/73/185124573.db2.gz RCKRZCIHEUJJAA-UHFFFAOYSA-N 1 0 300.200 1.665 10 0 DDAERO COCCS(=O)(=O)C[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000081944819 192345251 /nfs/dbraw/zinc/34/52/51/192345251.db2.gz PUTNLOHBIZEUSD-LLVKDONJSA-N 1 0 311.325 1.766 10 0 DDAERO C[NH2+][C@](C)(CCSc1ncccc1Br)C(N)=O ZINC000079447055 185172138 /nfs/dbraw/zinc/17/21/38/185172138.db2.gz IOHMJVDEBMBENJ-LLVKDONJSA-N 1 0 318.240 1.790 10 0 DDAERO C[N@@H+]1CCC[C@@H]1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000082315231 185175453 /nfs/dbraw/zinc/17/54/53/185175453.db2.gz NYOWECQKXOCRQD-CQSZACIVSA-N 1 0 305.397 1.959 10 0 DDAERO COc1cc(C)c(C)cc1S(=O)(=O)N(C)[C@H]1CCC[NH2+]C1 ZINC000082348518 185176702 /nfs/dbraw/zinc/17/67/02/185176702.db2.gz APCAPNQJLRVODA-ZDUSSCGKSA-N 1 0 312.435 1.685 10 0 DDAERO C[NH+]1CCC(N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)CC1 ZINC000082348121 185176911 /nfs/dbraw/zinc/17/69/11/185176911.db2.gz QJEDJHAGUGZFPB-UHFFFAOYSA-N 1 0 323.387 1.817 10 0 DDAERO C[NH2+][C@H](CCO)C[S@](=O)c1ccccc1Br ZINC000082990318 185210437 /nfs/dbraw/zinc/21/04/37/185210437.db2.gz BNNQEEMPUFZLSW-JDNHERCYSA-N 1 0 306.225 1.527 10 0 DDAERO O=S(=O)(c1ccccc1Br)[C@H]1CCC[NH2+]C1 ZINC000083252336 185221628 /nfs/dbraw/zinc/22/16/28/185221628.db2.gz IVOCEWVQVQSTKG-VIFPVBQESA-N 1 0 304.209 1.975 10 0 DDAERO CCN1CCO[C@@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000134617281 539192659 /nfs/dbraw/zinc/19/26/59/539192659.db2.gz JKEJPLKZZLHJJV-ZDUSSCGKSA-N 1 0 314.227 1.654 10 0 DDAERO CC[C@H](C[NH3+])NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000087386526 185223254 /nfs/dbraw/zinc/22/32/54/185223254.db2.gz RGUKJJHFVWLICA-MRVPVSSYSA-N 1 0 312.313 1.601 10 0 DDAERO CC[NH2+][C@@](C)(CC(=O)OCC)c1ccc(S(C)(=O)=O)cc1 ZINC000087548662 185228093 /nfs/dbraw/zinc/22/80/93/185228093.db2.gz PEHNJEAIOHSGJE-HNNXBMFYSA-N 1 0 313.419 1.868 10 0 DDAERO NC(=O)COC[C@H]([NH3+])c1cc(Cl)c(Br)s1 ZINC000087628124 185229541 /nfs/dbraw/zinc/22/95/41/185229541.db2.gz AFJWZIFMIPCATR-YFKPBYRVSA-N 1 0 313.604 1.666 10 0 DDAERO CC(C)(CC[NH3+])CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000087682546 185230387 /nfs/dbraw/zinc/23/03/87/185230387.db2.gz LBVLMNFEZMCZGE-UHFFFAOYSA-N 1 0 313.423 1.428 10 0 DDAERO CC(C)(CC[NH3+])CCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000087682577 185230512 /nfs/dbraw/zinc/23/05/12/185230512.db2.gz RANOVFSHPBWXSW-UHFFFAOYSA-N 1 0 313.423 1.428 10 0 DDAERO Cc1nnc(SCCC(=O)Nc2ccccc2)n1CC[NH3+] ZINC000087711559 185230960 /nfs/dbraw/zinc/23/09/60/185230960.db2.gz BHQSDJVCHLPMAU-UHFFFAOYSA-N 1 0 305.407 1.666 10 0 DDAERO Cc1nnc(SCC(=O)N[C@H](C)CCC(C)C)n1CC[NH3+] ZINC000087715145 185230983 /nfs/dbraw/zinc/23/09/83/185230983.db2.gz YKAOSMVEUUIRNT-LLVKDONJSA-N 1 0 313.471 1.578 10 0 DDAERO COC(=O)CS(=O)(=O)[C@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000081976485 192347798 /nfs/dbraw/zinc/34/77/98/192347798.db2.gz LTMRCELJRZQELE-IHRRRGAJSA-N 1 0 311.403 1.238 10 0 DDAERO Nc1ccc(SC[C@@H](O)CN2CC[NH2+]CC2)c(Cl)c1 ZINC000088062003 185238742 /nfs/dbraw/zinc/23/87/42/185238742.db2.gz MCMUKJYAGKFVCU-NSHDSACASA-N 1 0 301.843 1.280 10 0 DDAERO NNc1nc(N2CCO[C@@H]3CCC[C@@H]32)c(Br)c[nH+]1 ZINC000087867636 185234226 /nfs/dbraw/zinc/23/42/26/185234226.db2.gz JANKDMYIGLEDMY-DTWKUNHWSA-N 1 0 314.187 1.282 10 0 DDAERO CCC[NH2+][C@@H]1CCCc2nc(N3CCCNC(=O)C3)sc21 ZINC000087885608 185234383 /nfs/dbraw/zinc/23/43/83/185234383.db2.gz LWYYFLGPHLERHJ-LLVKDONJSA-N 1 0 308.451 1.846 10 0 DDAERO C[NH2+][C@@H]1c2ccccc2CCC[C@@H]1S(=O)(=O)CC(=O)OC ZINC000081975611 192348213 /nfs/dbraw/zinc/34/82/13/192348213.db2.gz FPFZFZKWGBNOLZ-DZGCQCFKSA-N 1 0 311.403 1.240 10 0 DDAERO COC[C@H](O)CC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000153755732 290652653 /nfs/dbraw/zinc/65/26/53/290652653.db2.gz YKRHGBNASKHOIJ-UONOGXRCSA-N 1 0 316.442 1.621 10 0 DDAERO Cc1cnc([C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C2CC2)s1 ZINC000185344408 539246050 /nfs/dbraw/zinc/24/60/50/539246050.db2.gz KIXKYIGBUBEBKN-JSGCOSHPSA-N 1 0 309.435 1.476 10 0 DDAERO CC[NH2+][C@H]1c2ccccc2CC[C@H]1S(=O)(=O)CC(=O)OC ZINC000081976595 192348449 /nfs/dbraw/zinc/34/84/49/192348449.db2.gz OYUVSNBYTULABC-HIFRSBDPSA-N 1 0 311.403 1.240 10 0 DDAERO COc1ccccc1C[C@@H](C)N(C)S(=O)(=O)[C@@H](C)C[NH3+] ZINC000088474406 185252231 /nfs/dbraw/zinc/25/22/31/185252231.db2.gz VRGNZDPETIYZNG-NEPJUHHUSA-N 1 0 300.424 1.235 10 0 DDAERO CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCC[NH+](CC)CC ZINC000088478716 185252578 /nfs/dbraw/zinc/25/25/78/185252578.db2.gz NYESUPMSPRTQKW-ZDUSSCGKSA-N 1 0 322.457 1.707 10 0 DDAERO CC[NH+](CC)CCC[C@H](C)NS(=O)(=O)[C@@H](C)C(N)=S ZINC000088487086 185253342 /nfs/dbraw/zinc/25/33/42/185253342.db2.gz WYNQWFKWIIHTLG-QWRGUYRKSA-N 1 0 309.501 1.091 10 0 DDAERO COc1ccccc1OCC[C@@H](C[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000088414481 185249232 /nfs/dbraw/zinc/24/92/32/185249232.db2.gz RXUYBADZQIRLRJ-QWHCGFSZSA-N 1 0 313.419 1.474 10 0 DDAERO [NH3+]C[C@H](C(=O)Nc1cnc(Br)cn1)c1ccccc1 ZINC000088446395 185251259 /nfs/dbraw/zinc/25/12/59/185251259.db2.gz WXKSAJBAORALHM-JTQLQIEISA-N 1 0 321.178 1.920 10 0 DDAERO C[NH2+][C@@H](Cc1nc2ccccc2s1)[C@@H]1CCS(=O)(=O)C1 ZINC000088518768 185254537 /nfs/dbraw/zinc/25/45/37/185254537.db2.gz KECCUKVYNPOIDO-PWSUYJOCSA-N 1 0 310.444 1.862 10 0 DDAERO Cc1ccc2c(N)c(C(=O)N3CC[C@H]([NH+](C)C)C3)sc2n1 ZINC000088643360 185261360 /nfs/dbraw/zinc/26/13/60/185261360.db2.gz KPOMZROXBYLFAM-JTQLQIEISA-N 1 0 304.419 1.963 10 0 DDAERO O=S(=O)(c1cccc(CO)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000088873248 185267672 /nfs/dbraw/zinc/26/76/72/185267672.db2.gz GIVHSGDAKRWAMZ-AWEZNQCLSA-N 1 0 310.419 1.038 10 0 DDAERO CCS[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)CN1CCCC1=O ZINC000253296448 282214483 /nfs/dbraw/zinc/21/44/83/282214483.db2.gz SGIFHPKBKCFHKL-MGPQQGTHSA-N 1 0 300.468 1.624 10 0 DDAERO COc1ccc([C@@H](C)[NH3+])cc1CS(=O)(=O)C1CCOCC1 ZINC000081989595 192350955 /nfs/dbraw/zinc/35/09/55/192350955.db2.gz LDPPQLJGGAYVON-LLVKDONJSA-N 1 0 313.419 1.809 10 0 DDAERO C[NH2+][C@@H](C[S@@](=O)CCS(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000081993114 192351561 /nfs/dbraw/zinc/35/15/61/192351561.db2.gz LMCJSNOBJMWYDF-IFXJQAMLSA-N 1 0 317.476 1.357 10 0 DDAERO CCC[NH2+][C@H](CCC)[C@H](CC)S(=O)(=O)CC(=O)OCC ZINC000082009995 192353163 /nfs/dbraw/zinc/35/31/63/192353163.db2.gz PQXPJNJMTVQXST-OLZOCXBDSA-N 1 0 307.456 1.911 10 0 DDAERO C[C@](O)(CO)C[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000090284268 185289400 /nfs/dbraw/zinc/28/94/00/185289400.db2.gz DZRPYUIWNKXLMH-WCQYABFASA-N 1 0 316.195 1.606 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1CC(=O)NCCc1cccs1 ZINC000090338238 185291839 /nfs/dbraw/zinc/29/18/39/185291839.db2.gz REGFIWYXTAHSJM-JSGCOSHPSA-N 1 0 307.463 1.337 10 0 DDAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1S(=O)(=O)Cc1ccc(F)cc1 ZINC000090337050 185291898 /nfs/dbraw/zinc/29/18/98/185291898.db2.gz TVXMNUKCZGRVSQ-JSGCOSHPSA-N 1 0 312.410 1.585 10 0 DDAERO C[C@H]([NH3+])CCSCCOc1ccc(S(N)(=O)=O)cc1 ZINC000090346736 185292150 /nfs/dbraw/zinc/29/21/50/185292150.db2.gz ITUUTTGLFQJXPC-JTQLQIEISA-N 1 0 304.437 1.183 10 0 DDAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000090489350 185298785 /nfs/dbraw/zinc/29/87/85/185298785.db2.gz SPKMHPCKNGNTQU-CMPLNLGQSA-N 1 0 311.769 1.002 10 0 DDAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)N(CCOC)Cc1cccs1 ZINC000090489974 185298987 /nfs/dbraw/zinc/29/89/87/185298987.db2.gz DRLHHTAHYMJSBM-UONOGXRCSA-N 1 0 312.435 1.348 10 0 DDAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(Cl)cc1C(=O)OC ZINC000090432919 185296341 /nfs/dbraw/zinc/29/63/41/185296341.db2.gz URKFBQLPHAVFDM-JQWIXIFHSA-N 1 0 312.753 1.300 10 0 DDAERO COc1ccc2nc(NC(=O)[C@]3(C)COC[C@@H]3[NH3+])sc2c1 ZINC000090580768 185304938 /nfs/dbraw/zinc/30/49/38/185304938.db2.gz CWCYDKHUIRNVHK-SMDDNHRTSA-N 1 0 307.375 1.607 10 0 DDAERO C[C@]1(C(=O)Nc2cc3c(cc2Cl)OCCO3)COC[C@H]1[NH3+] ZINC000090585537 185305128 /nfs/dbraw/zinc/30/51/28/185305128.db2.gz ZNWMTPMDPVBIKG-OCCSQVGLSA-N 1 0 312.753 1.414 10 0 DDAERO CCC[NH2+]C[C@@H](C)c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C ZINC000092320346 185312174 /nfs/dbraw/zinc/31/21/74/185312174.db2.gz ONZTUBBEQLKASM-BXUZGUMPSA-N 1 0 313.467 1.963 10 0 DDAERO CCOC(=O)C(=O)N1CCCSC[C@@H]1C[NH+]1CCCCC1 ZINC000090701302 185310388 /nfs/dbraw/zinc/31/03/88/185310388.db2.gz NAPSFKXNOGSBAG-ZDUSSCGKSA-N 1 0 314.451 1.370 10 0 DDAERO CCC[NH2+]CCc1c(CC)nn(CCS(C)(=O)=O)c1CC ZINC000092323495 185312194 /nfs/dbraw/zinc/31/21/94/185312194.db2.gz YZCVSKDMRMRTJR-UHFFFAOYSA-N 1 0 315.483 1.595 10 0 DDAERO O=C([C@H]1CCCN1Cc1cccc(Cl)n1)N1CC[NH2+]CC1 ZINC000092366696 185314367 /nfs/dbraw/zinc/31/43/67/185314367.db2.gz WQYGRLNNPVQOFY-CYBMUJFWSA-N 1 0 308.813 1.131 10 0 DDAERO CCC[NH2+]C[C@@H](C)c1c(C)nn(CCS(C)(=O)=O)c1C ZINC000092323459 185312336 /nfs/dbraw/zinc/31/23/36/185312336.db2.gz QMGPGMAVTGNPJW-LLVKDONJSA-N 1 0 301.456 1.648 10 0 DDAERO Cc1noc(C)c1CNS(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000092339713 185313034 /nfs/dbraw/zinc/31/30/34/185313034.db2.gz BZMZHCZYKAMAES-SECBINFHSA-N 1 0 309.391 1.790 10 0 DDAERO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cccc(F)c1N ZINC000092622499 185329777 /nfs/dbraw/zinc/32/97/77/185329777.db2.gz HJCYEVKMEUQPKK-SNVBAGLBSA-N 1 0 301.387 1.123 10 0 DDAERO COc1c(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)c(C)nn1C ZINC000092814085 185343695 /nfs/dbraw/zinc/34/36/95/185343695.db2.gz ZNERYMOBBFZMLO-CYBMUJFWSA-N 1 0 319.409 1.883 10 0 DDAERO CC1(C)C(NS(=O)(=O)c2cccc(F)c2C[NH3+])C1(C)C ZINC000092817197 185343948 /nfs/dbraw/zinc/34/39/48/185343948.db2.gz HKAAGKCJUMWUPP-UHFFFAOYSA-N 1 0 300.399 1.997 10 0 DDAERO Cc1nn(CC[NH3+])c(C)c1S(=O)(=O)NC1C(C)(C)C1(C)C ZINC000092833201 185344914 /nfs/dbraw/zinc/34/49/14/185344914.db2.gz FZSGSCYUKXXSEG-UHFFFAOYSA-N 1 0 314.455 1.172 10 0 DDAERO CC[NH2+]CCn1cc(S(=O)(=O)NC2C(C)(C)C2(C)C)cn1 ZINC000092833230 185345051 /nfs/dbraw/zinc/34/50/51/185345051.db2.gz IXPVXKRURDSNOH-UHFFFAOYSA-N 1 0 314.455 1.206 10 0 DDAERO CC[NH2+][C@@H](C)[C@H]1CCCN(S(=O)(=O)c2cn(CC)cn2)C1 ZINC000092889728 185348057 /nfs/dbraw/zinc/34/80/57/185348057.db2.gz MZARBZCJRAMJKM-STQMWFEESA-N 1 0 314.455 1.302 10 0 DDAERO CC[NH2+][C@H]1c2cc(OC)ccc2C[C@@H]1Sc1nnnn1C ZINC000092860404 185347288 /nfs/dbraw/zinc/34/72/88/185347288.db2.gz GTOAYMGVHWXATE-STQMWFEESA-N 1 0 305.407 1.586 10 0 DDAERO CC(C)n1ncc2cc(C=CC(=O)NCC[C@H](C)[NH3+])c(=O)[nH]c21 ZINC000255660240 282272634 /nfs/dbraw/zinc/27/26/34/282272634.db2.gz AKOCLMPMIOCVPG-WYGGZMRJSA-N 1 0 317.393 1.585 10 0 DDAERO Cc1cc(F)cc(C)c1S(=O)(=O)N1CCC(C[NH3+])CC1 ZINC000229328216 201829193 /nfs/dbraw/zinc/82/91/93/201829193.db2.gz UCUJPRAADDJEAZ-UHFFFAOYSA-N 1 0 300.399 1.802 10 0 DDAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000111263874 185566814 /nfs/dbraw/zinc/56/68/14/185566814.db2.gz FLEJXZDLIBNCAC-SWLSCSKDSA-N 1 0 307.825 1.844 10 0 DDAERO COCCN(C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@@H](C)COC ZINC000111246468 185563485 /nfs/dbraw/zinc/56/34/85/185563485.db2.gz UCSATPBIJXGDLW-CMPLNLGQSA-N 1 0 312.332 1.038 10 0 DDAERO [NH3+]CCN1C[C@@H](S(=O)(=O)c2ccccc2)Cc2ccccc21 ZINC000616670152 362776323 /nfs/dbraw/zinc/77/63/23/362776323.db2.gz BNPNQFMAWNMQFH-INIZCTEOSA-N 1 0 316.426 1.850 10 0 DDAERO C[C@@H]1CC[C@@H](n2nnc(C[NH3+])c2I)C1 ZINC000675051954 539562686 /nfs/dbraw/zinc/56/26/86/539562686.db2.gz YIWROCSWZXMWSX-RNFRBKRXSA-N 1 0 306.151 1.703 10 0 DDAERO CCc1nc(S(=O)(=O)N(CC)c2ccc(C[NH3+])cc2)c[nH]1 ZINC000070418134 190887932 /nfs/dbraw/zinc/88/79/32/190887932.db2.gz HJBMEOFCGSSJCL-UHFFFAOYSA-N 1 0 308.407 1.646 10 0 DDAERO CCC[NH+]1CCC(N(C)S(=O)(=O)c2c[nH]c(C)n2)CC1 ZINC000070421746 190889076 /nfs/dbraw/zinc/88/90/76/190889076.db2.gz JFKVVHXMGYRVKF-UHFFFAOYSA-N 1 0 300.428 1.213 10 0 DDAERO CC[NH2+][C@](C)(CCCCn1cc(C(F)(F)F)cn1)C(N)=O ZINC000070467564 190899781 /nfs/dbraw/zinc/89/97/81/190899781.db2.gz BGGYOWQOQGZKCV-GFCCVEGCSA-N 1 0 306.332 1.926 10 0 DDAERO CC[NH2+][C@](CO)(COc1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000070519666 190903419 /nfs/dbraw/zinc/90/34/19/190903419.db2.gz CASFBCOJIZHBOY-OAHLLOKOSA-N 1 0 313.419 1.220 10 0 DDAERO Brc1cncc(OCC[NH2+]C[C@H]2CCOC2)c1 ZINC000070488241 190902303 /nfs/dbraw/zinc/90/23/03/190902303.db2.gz WWSFJBNIWPOSDR-SNVBAGLBSA-N 1 0 301.184 1.849 10 0 DDAERO NC(=S)c1cnc(N2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000071181373 190938366 /nfs/dbraw/zinc/93/83/66/190938366.db2.gz ZVYKGHRYVZGBRS-UHFFFAOYSA-N 1 0 305.451 1.423 10 0 DDAERO CCNc1ccncc1S(=O)(=O)N[C@H](C)C[NH+](CC)CC ZINC000071232652 190946247 /nfs/dbraw/zinc/94/62/47/190946247.db2.gz HAWXIBSGKISHPI-GFCCVEGCSA-N 1 0 314.455 1.522 10 0 DDAERO O=S(=O)(NC[C@H]1CC[NH2+]C1)c1cc(Cl)ccc1Cl ZINC000133738357 186010532 /nfs/dbraw/zinc/01/05/32/186010532.db2.gz CGFPEQOYHUPJFZ-QMMMGPOBSA-N 1 0 309.218 1.881 10 0 DDAERO CC(=O)N1CCC[C@H](c2ccc(N3CC[NH+](C)CC3)cn2)C1 ZINC000072364705 191132972 /nfs/dbraw/zinc/13/29/72/191132972.db2.gz HKLGCSMSCCGEQM-HNNXBMFYSA-N 1 0 302.422 1.559 10 0 DDAERO CNC(=O)CCN(C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000171904951 198005371 /nfs/dbraw/zinc/00/53/71/198005371.db2.gz QEUBFBYKHAWEQZ-HNNXBMFYSA-N 1 0 320.437 1.375 10 0 DDAERO Cc1cc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c2ccccc2n1 ZINC000172308361 198077110 /nfs/dbraw/zinc/07/71/10/198077110.db2.gz WFRHFCDRAFOGNU-AWEZNQCLSA-N 1 0 313.401 1.946 10 0 DDAERO COc1cc2[nH]c3ncnc(N4CC[NH2+]CC4)c3c2cc1OC ZINC000034265682 352291580 /nfs/dbraw/zinc/29/15/80/352291580.db2.gz QEYULVQHTAIOTP-UHFFFAOYSA-N 1 0 313.361 1.538 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(Cc2cn3c(cccc3C)n2)CC1 ZINC000174079016 198288881 /nfs/dbraw/zinc/28/88/81/198288881.db2.gz LGNGAMIRDWEIJD-MRXNPFEDSA-N 1 0 302.422 1.531 10 0 DDAERO O=C(C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1)N1CCOCC1 ZINC000174383942 198328356 /nfs/dbraw/zinc/32/83/56/198328356.db2.gz OFKCELPQGRZTKA-IAGOWNOFSA-N 1 0 318.417 1.433 10 0 DDAERO COC(=O)C[C@@H]([NH3+])c1cccc(I)c1 ZINC000095779270 353912410 /nfs/dbraw/zinc/91/24/10/353912410.db2.gz CVDZJJLQZNVUKQ-SECBINFHSA-N 1 0 305.115 1.854 10 0 DDAERO COc1cc(CCNC(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1O ZINC000114832790 353982768 /nfs/dbraw/zinc/98/27/68/353982768.db2.gz YXUQZASXWWGNMD-CYBMUJFWSA-N 1 0 307.394 1.289 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)NC[C@@H]2Cc3ccccc32)CCO1 ZINC000117037664 353992202 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CCC[NH2+][C@H]1[C@H](S(=O)(=O)CCC(=O)OC)CCCC1(C)C ZINC000094281738 193356126 /nfs/dbraw/zinc/35/61/26/193356126.db2.gz TUHCTJMXEJCRNR-OCCSQVGLSA-N 1 0 319.467 1.911 10 0 DDAERO CN(CCS(C)(=O)=O)[C@H](C[NH3+])c1ccc2ncccc2c1 ZINC000094297947 193356895 /nfs/dbraw/zinc/35/68/95/193356895.db2.gz KGBDQBOSSDOJFM-OAHLLOKOSA-N 1 0 307.419 1.211 10 0 DDAERO CC[NH2+][C@@H](CN(C)CCS(C)(=O)=O)c1ccc(C)cc1C ZINC000094298063 193357148 /nfs/dbraw/zinc/35/71/48/193357148.db2.gz NTSBSKICCJGTBH-INIZCTEOSA-N 1 0 312.479 1.930 10 0 DDAERO CCC[NH2+][C@@H]1c2ccccc2C[C@@H]1N(C)CCS(C)(=O)=O ZINC000094298077 193357965 /nfs/dbraw/zinc/35/79/65/193357965.db2.gz CUJZHIVAJXDMNJ-JKSUJKDBSA-N 1 0 310.463 1.628 10 0 DDAERO CCOc1ccccc1[C@H]([NH3+])CN(C)CCS(C)(=O)=O ZINC000094298458 193358135 /nfs/dbraw/zinc/35/81/35/193358135.db2.gz KMNGXXPRQABQKE-CYBMUJFWSA-N 1 0 300.424 1.062 10 0 DDAERO CCOc1cc(C(F)(F)F)nc([C@@H](C)N2CC[NH2+]CC2)n1 ZINC000094334015 193360028 /nfs/dbraw/zinc/36/00/28/193360028.db2.gz AUTRZOSRJKROBV-SECBINFHSA-N 1 0 304.316 1.860 10 0 DDAERO C[C@@H]([NH3+])Cc1cc(F)c(O[C@@H]2CCS(=O)(=O)C2)c(F)c1 ZINC000094350270 193363592 /nfs/dbraw/zinc/36/35/92/193363592.db2.gz KBDKMJAZZVDLDN-PSASIEDQSA-N 1 0 305.346 1.420 10 0 DDAERO CC(C)[NH+]1CCC(O)([C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094639146 193387860 /nfs/dbraw/zinc/38/78/60/193387860.db2.gz PPOMHQUPDDHNEG-ZIAGYGMSSA-N 1 0 303.468 1.825 10 0 DDAERO CC(C)C[C@H](C[NH3+])C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000094698104 193391528 /nfs/dbraw/zinc/39/15/28/193391528.db2.gz FEXHHWPHXUGAIA-NWDGAFQWSA-N 1 0 309.376 1.608 10 0 DDAERO CC(C)C[C@H](C[NH3+])C(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000094699911 193391749 /nfs/dbraw/zinc/39/17/49/193391749.db2.gz WSAJJTOAOXEPQG-CYBMUJFWSA-N 1 0 312.435 1.327 10 0 DDAERO CC(C)(C[NH2+][C@@H]1CCOC2(CCOCC2)C1)S(C)(=O)=O ZINC000094375086 193366534 /nfs/dbraw/zinc/36/65/34/193366534.db2.gz XLDRDHSRFUOHPB-GFCCVEGCSA-N 1 0 305.440 1.127 10 0 DDAERO NC(=S)CN1CC[NH+]([C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000094376055 193367215 /nfs/dbraw/zinc/36/72/15/193367215.db2.gz HAXSATAKMQKULN-AWEZNQCLSA-N 1 0 311.495 1.772 10 0 DDAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccnc(C(N)=S)c1 ZINC000094446095 193370630 /nfs/dbraw/zinc/37/06/30/193370630.db2.gz XHLCAFMYESMTBX-TZMCWYRMSA-N 1 0 304.463 1.774 10 0 DDAERO C[NH2+][C@@H](Cc1nc(C(C)(C)C)cs1)[C@@H]1CN2CCN1CC2 ZINC000094509001 193375276 /nfs/dbraw/zinc/37/52/76/193375276.db2.gz IPCMXIYHLRXLGP-STQMWFEESA-N 1 0 308.495 1.571 10 0 DDAERO CCOCCCC(=O)N1CC[NH+](C(C)(C)C(N)=S)CC1 ZINC000095036038 193414928 /nfs/dbraw/zinc/41/49/28/193414928.db2.gz MIDCIWMDCVIKMA-UHFFFAOYSA-N 1 0 301.456 1.012 10 0 DDAERO COc1ncnc2c1[nH]c(=S)n2C[C@@H](C)[NH+]1CCCCC1 ZINC000094739018 193395033 /nfs/dbraw/zinc/39/50/33/193395033.db2.gz HAWDOCPUXPJKJD-SNVBAGLBSA-N 1 0 307.423 1.998 10 0 DDAERO NS(=O)(=O)c1ccccc1NC(=O)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000094752071 193395688 /nfs/dbraw/zinc/39/56/88/193395688.db2.gz KVYPVSXIPCNRPE-QWRGUYRKSA-N 1 0 311.407 1.180 10 0 DDAERO Cc1cc(F)c(N)cc1S(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000094779655 193397506 /nfs/dbraw/zinc/39/75/06/193397506.db2.gz KLOBZTRKZKBUPG-LLVKDONJSA-N 1 0 315.414 1.431 10 0 DDAERO C[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cncc(C)c1 ZINC000097309532 193706626 /nfs/dbraw/zinc/70/66/26/193706626.db2.gz NKACHBLRLTXEDY-ZFWWWQNUSA-N 1 0 311.451 1.712 10 0 DDAERO C[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1snnc1C ZINC000097309397 193706843 /nfs/dbraw/zinc/70/68/43/193706843.db2.gz BAVLAQWXCNDYPS-GHMZBOCLSA-N 1 0 318.468 1.169 10 0 DDAERO NC(=O)COc1ccc2ccccc2c1C[NH2+]C[C@@H]1CCCO1 ZINC000020872773 182250568 /nfs/dbraw/zinc/25/05/68/182250568.db2.gz CEQSTEBMVFRWNF-AWEZNQCLSA-N 1 0 314.385 1.973 10 0 DDAERO COCCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccccc2)CN1C(C)C ZINC000023359759 182358671 /nfs/dbraw/zinc/35/86/71/182358671.db2.gz OIKGCPMQCIKIFD-IRXDYDNUSA-N 1 0 319.449 1.390 10 0 DDAERO CCc1noc([C@H](C)N2CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC2)n1 ZINC000119123539 248259889 /nfs/dbraw/zinc/25/98/89/248259889.db2.gz WYAXTHQZLGQUCB-WCQYABFASA-N 1 0 323.441 1.211 10 0 DDAERO CC(=O)c1cccc(S(=O)(=O)NC[C@H](C(C)C)[NH+](C)C)c1 ZINC000040429976 183065894 /nfs/dbraw/zinc/06/58/94/183065894.db2.gz HOXBRLVPHYPZPF-OAHLLOKOSA-N 1 0 312.435 1.754 10 0 DDAERO CCOCCCN(CC(F)(F)F)C(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000040635691 183112630 /nfs/dbraw/zinc/11/26/30/183112630.db2.gz KQWOCBLTBBJDKG-WDEREUQCSA-N 1 0 312.332 1.181 10 0 DDAERO C[C@H]1CCC[C@@](CNS(=O)(=O)c2cn[nH]c2)([NH+](C)C)C1 ZINC000040670931 183115560 /nfs/dbraw/zinc/11/55/60/183115560.db2.gz YSIMJLHPEQGILP-WCQYABFASA-N 1 0 300.428 1.199 10 0 DDAERO C[C@H](NC(=O)CCCCC[NH3+])c1ccc(S(C)(=O)=O)cc1 ZINC000040855721 183143037 /nfs/dbraw/zinc/14/30/37/183143037.db2.gz XJNQIRDAXQRJKH-LBPRGKRZSA-N 1 0 312.435 1.786 10 0 DDAERO COC(=O)COC[C@@H]([NH3+])c1cc2c(cc1Cl)OCCO2 ZINC000041072115 183163489 /nfs/dbraw/zinc/16/34/89/183163489.db2.gz NRIIHOIMNYUGIT-SNVBAGLBSA-N 1 0 301.726 1.301 10 0 DDAERO CC[NH+]1CCN(CCCNc2ncnc3c2c(C)nn3C)CC1 ZINC000041471680 183193435 /nfs/dbraw/zinc/19/34/35/183193435.db2.gz RYULYLRXEJDGRY-UHFFFAOYSA-N 1 0 317.441 1.111 10 0 DDAERO CCC[N@H+](CCCC[C@](C)([NH2+]CC)C(=O)[O-])CCN(C)C ZINC000041675097 183215383 /nfs/dbraw/zinc/21/53/83/183215383.db2.gz ZXXLIPXOGLSIMO-INIZCTEOSA-N 1 0 301.475 1.883 10 0 DDAERO C[C@]1(n2ncc(C[NH3+])c2-c2ccccc2)CCS(=O)(=O)C1 ZINC000042188706 183238957 /nfs/dbraw/zinc/23/89/57/183238957.db2.gz FLJDUFIKWXXPGQ-HNNXBMFYSA-N 1 0 305.403 1.543 10 0 DDAERO CN(Cc1ccccc1Cl)C1(C[NH3+])CCS(=O)(=O)CC1 ZINC000042332413 183255395 /nfs/dbraw/zinc/25/53/95/183255395.db2.gz KBGWSWCNWVMSJC-UHFFFAOYSA-N 1 0 316.854 1.678 10 0 DDAERO CC[C@@H](C)[N@H+](CCOC)CCC(=O)N(C)CCC(N)=S ZINC000042583185 183287056 /nfs/dbraw/zinc/28/70/56/183287056.db2.gz IGSBMPZKSRYABO-GFCCVEGCSA-N 1 0 303.472 1.258 10 0 DDAERO COCCN([C@H](C)C1CC1)S(=O)(=O)c1ccccc1C[NH3+] ZINC000042680569 183296542 /nfs/dbraw/zinc/29/65/42/183296542.db2.gz JDBKBORLTLHYFP-GFCCVEGCSA-N 1 0 312.435 1.581 10 0 DDAERO CNC(=O)CN(C)[C@H](c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000042953063 183321614 /nfs/dbraw/zinc/32/16/14/183321614.db2.gz MLIFPLKHHNOVHT-ZANVPECISA-N 1 0 314.227 1.515 10 0 DDAERO CCCN(CC(F)(F)F)S(=O)(=O)c1cc[nH+]c(NN)c1 ZINC000042782287 183308361 /nfs/dbraw/zinc/30/83/61/183308361.db2.gz FHOUNELSSFGNPQ-UHFFFAOYSA-N 1 0 312.317 1.330 10 0 DDAERO [NH3+]C[C@@H](c1cc(Br)cs1)N1CCC[C@@H]1CO ZINC000043286377 183350162 /nfs/dbraw/zinc/35/01/62/183350162.db2.gz NCDXGIIHPBRKKE-ZJUUUORDSA-N 1 0 305.241 1.967 10 0 DDAERO NC(=O)[C@H]1CCCN1[C@H](C[NH3+])c1cc(Br)cs1 ZINC000043285093 183350784 /nfs/dbraw/zinc/35/07/84/183350784.db2.gz ICJNYFJXOVMXHT-RKDXNWHRSA-N 1 0 318.240 1.460 10 0 DDAERO COc1ccc([C@@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)cc1OC(F)F ZINC000043299978 183352763 /nfs/dbraw/zinc/35/27/63/183352763.db2.gz VMRICFVFNCHAPL-BXKDBHETSA-N 1 0 321.345 1.731 10 0 DDAERO NS(=O)(=O)c1ccccc1NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000043590554 183374031 /nfs/dbraw/zinc/37/40/31/183374031.db2.gz FMUWBDXHXHWGIA-NSHDSACASA-N 1 0 311.407 1.052 10 0 DDAERO COc1ccc(NC(=O)[C@@H]2C[NH2+]CCO2)c(C(F)(F)F)c1 ZINC000043708473 183382863 /nfs/dbraw/zinc/38/28/63/183382863.db2.gz HXGVJCVPLBDHAN-NSHDSACASA-N 1 0 304.268 1.641 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)s1 ZINC000043428257 183361791 /nfs/dbraw/zinc/36/17/91/183361791.db2.gz CVCICLZVGQGGSB-WDEREUQCSA-N 1 0 302.421 1.149 10 0 DDAERO CC(C)n1cc([C@@]2(O)CCC[N@H+](CCc3ccncc3)C2)nn1 ZINC000284584222 218088859 /nfs/dbraw/zinc/08/88/59/218088859.db2.gz JOIRIDUGLKFDFD-QGZVFWFLSA-N 1 0 315.421 1.780 10 0 DDAERO CN1CCO[C@@H](CNC(=O)NCc2ccc(F)c(Cl)c2)C1 ZINC000104795076 194040504 /nfs/dbraw/zinc/04/05/04/194040504.db2.gz WJCNVIHHXILNDY-NSHDSACASA-N 1 0 315.776 1.609 10 0 DDAERO CCOc1ncccc1CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105118459 194075680 /nfs/dbraw/zinc/07/56/80/194075680.db2.gz VYTRBNWIDDHHFA-HNNXBMFYSA-N 1 0 318.421 1.860 10 0 DDAERO Cc1cc(N2C[C@@H](COCC(=O)N(C)C)OC(C)(C)C2)cc[nH+]1 ZINC000284912320 218231214 /nfs/dbraw/zinc/23/12/14/218231214.db2.gz IDUOGRNZWDKHNM-HNNXBMFYSA-N 1 0 321.421 1.479 10 0 DDAERO CC[C@@H]1CN(CC(=O)NC(C2CC2)C2CC2)CC[N@@H+]1CCOC ZINC000105836685 194142751 /nfs/dbraw/zinc/14/27/51/194142751.db2.gz GHFLQRLNEKXETO-MRXNPFEDSA-N 1 0 323.481 1.334 10 0 DDAERO Cn1cc(C[N@@H+]2CCCN(Cc3cn4ccccc4n3)CC2)cn1 ZINC000105869329 194150951 /nfs/dbraw/zinc/15/09/51/194150951.db2.gz CABSRBZCYWIPGS-UHFFFAOYSA-N 1 0 324.432 1.776 10 0 DDAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)NCCC(C)C)CC2 ZINC000105873247 194153708 /nfs/dbraw/zinc/15/37/08/194153708.db2.gz QMBJMYHXBKAEKO-OLZOCXBDSA-N 1 0 307.442 1.296 10 0 DDAERO C[NH+](C)C[C@H]1CN(CCC(=O)Nc2ccccc2F)CCO1 ZINC000105904492 194165806 /nfs/dbraw/zinc/16/58/06/194165806.db2.gz HNSMPFOUKMREPL-ZDUSSCGKSA-N 1 0 309.385 1.417 10 0 DDAERO C[C@@H](O)C[NH+]1CCC(CN(C)CC(=O)c2cccn2C)CC1 ZINC000106125753 194187472 /nfs/dbraw/zinc/18/74/72/194187472.db2.gz RGWWJAGQQPCQDU-CQSZACIVSA-N 1 0 307.438 1.232 10 0 DDAERO COCC[N@@H+]1CCN(Cc2cccc(C(=O)OC)c2)C[C@@H]1C ZINC000106109556 194188238 /nfs/dbraw/zinc/18/82/38/194188238.db2.gz NDOBASSZCWSVLD-AWEZNQCLSA-N 1 0 306.406 1.626 10 0 DDAERO C[C@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)Cn1cccn1 ZINC000106458781 194217802 /nfs/dbraw/zinc/21/78/02/194217802.db2.gz WDLQMKISOCDLBC-NVXWUHKLSA-N 1 0 314.433 1.808 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN(C(=O)C2CCOCC2)CC1 ZINC000109464922 194266148 /nfs/dbraw/zinc/26/61/48/194266148.db2.gz JMOFVPJNKVXBDP-CYBMUJFWSA-N 1 0 313.467 1.012 10 0 DDAERO CS(=O)(=O)c1cccc(NC(=O)CC[C@H]2CCCC[NH2+]2)c1 ZINC000050945565 183808385 /nfs/dbraw/zinc/80/83/85/183808385.db2.gz CVJBQRRCOJHDFZ-GFCCVEGCSA-N 1 0 310.419 1.951 10 0 DDAERO CCc1ccc([C@H](C[NH3+])N(C)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000051719127 183835134 /nfs/dbraw/zinc/83/51/34/183835134.db2.gz HAZOUNXYYVXPLN-PWSUYJOCSA-N 1 0 302.465 1.429 10 0 DDAERO C[NH+](C)[C@H]1CCN(c2nc3c(cc2C(N)=S)CCCC3)C1 ZINC000110278355 194319011 /nfs/dbraw/zinc/31/90/11/194319011.db2.gz REYSQDOGSDDXGV-LBPRGKRZSA-N 1 0 304.463 1.735 10 0 DDAERO CCCN(CC[NH+](C)C)C(=O)Cc1ccc(C(N)=S)cc1 ZINC000110615334 194342214 /nfs/dbraw/zinc/34/22/14/194342214.db2.gz FNZWEQFHXLHILQ-UHFFFAOYSA-N 1 0 307.463 1.664 10 0 DDAERO COCCCN(CCOC)C(=O)CC1CCC(C[NH3+])CC1 ZINC000110617856 194342915 /nfs/dbraw/zinc/34/29/15/194342915.db2.gz HVZCWKGPHPTWQN-UHFFFAOYSA-N 1 0 300.443 1.653 10 0 DDAERO CC[C@@H]1CN(C(=O)[C@H](C(N)=S)c2ccccc2)CC[N@@H+]1C ZINC000110753206 194356280 /nfs/dbraw/zinc/35/62/80/194356280.db2.gz DHTRKMOXTCWIRI-KGLIPLIRSA-N 1 0 305.447 1.609 10 0 DDAERO CC[C@H]1C(=O)NCCN1c1ccc(C(F)(F)F)cc1C[NH3+] ZINC000110676287 194349286 /nfs/dbraw/zinc/34/92/86/194349286.db2.gz OXDQWWQWMRAEBT-NSHDSACASA-N 1 0 301.312 1.879 10 0 DDAERO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2N)CCN1C ZINC000110700409 194352322 /nfs/dbraw/zinc/35/23/22/194352322.db2.gz WZGANGPTQQWZPE-NSHDSACASA-N 1 0 310.829 1.887 10 0 DDAERO CCCNS(=O)(=O)c1ccccc1NCC[C@H]1CC[NH2+]C1 ZINC000110798815 194359980 /nfs/dbraw/zinc/35/99/80/194359980.db2.gz RDKRFOCRSHFMJE-CYBMUJFWSA-N 1 0 311.451 1.786 10 0 DDAERO CN(Cc1nc2ccc(Cl)cc2c(=O)[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000110929337 194371578 /nfs/dbraw/zinc/37/15/78/194371578.db2.gz RIDCDSYTLQHSFQ-LLVKDONJSA-N 1 0 306.797 1.760 10 0 DDAERO CCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000110941485 194372344 /nfs/dbraw/zinc/37/23/44/194372344.db2.gz ZSFXSAJNIVXBCD-CYBMUJFWSA-N 1 0 312.435 1.766 10 0 DDAERO COc1cccc([C@H](SCCS(C)(=O)=O)[C@@H](C)[NH3+])c1 ZINC000111004179 194381022 /nfs/dbraw/zinc/38/10/22/194381022.db2.gz RTMNXZGVGFHIBA-ZWNOBZJWSA-N 1 0 303.449 1.861 10 0 DDAERO CN(CCC[NH+](C)C)c1ncc(Br)cc1CO ZINC000111141481 194393985 /nfs/dbraw/zinc/39/39/85/194393985.db2.gz IMUKZYVKICMGOQ-UHFFFAOYSA-N 1 0 302.216 1.724 10 0 DDAERO CCCCN(C(=O)C(C)(C)[NH2+]CC)[C@@H]1CCS(=O)(=O)C1 ZINC000061294515 184167986 /nfs/dbraw/zinc/16/79/86/184167986.db2.gz IQUFZJPVJDRKCE-GFCCVEGCSA-N 1 0 304.456 1.190 10 0 DDAERO Cc1cnc(CNS(=O)(=O)c2ccc([C@@H](C)[NH3+])cc2)cn1 ZINC000061323084 184168214 /nfs/dbraw/zinc/16/82/14/184168214.db2.gz YUUXSDRKYFYMIR-LLVKDONJSA-N 1 0 306.391 1.283 10 0 DDAERO COCC[N@H+](C)CCNC(=O)C1(C(N)=S)CCCCCC1 ZINC000061381026 184170345 /nfs/dbraw/zinc/17/03/45/184170345.db2.gz DYLLSJJICVEIAD-UHFFFAOYSA-N 1 0 315.483 1.308 10 0 DDAERO CC[N@@H+]1CCC[C@@H](Nc2nc(Cl)nc(-n3cncn3)n2)C1 ZINC000061539216 184173208 /nfs/dbraw/zinc/17/32/08/184173208.db2.gz KTGOQSRXWCDMPQ-SECBINFHSA-N 1 0 308.777 1.002 10 0 DDAERO Clc1nc(NCC[NH+]2CCCCC2)nc(-n2cccn2)n1 ZINC000061539592 184173393 /nfs/dbraw/zinc/17/33/93/184173393.db2.gz HOQKRPRFHFTMOK-UHFFFAOYSA-N 1 0 307.789 1.609 10 0 DDAERO CO[C@@H]1C[NH2+][C@H](C(=O)NCc2ccc(C(F)(F)F)cc2)C1 ZINC000061627028 184179137 /nfs/dbraw/zinc/17/91/37/184179137.db2.gz SECWYVCUNKLJSL-RYUDHWBXSA-N 1 0 302.296 1.699 10 0 DDAERO O=S(=O)(C[C@H]1CCC[NH2+]1)NCc1ccc(C(F)(F)F)cc1 ZINC000061627361 184179172 /nfs/dbraw/zinc/17/91/72/184179172.db2.gz XPHSDTZJKZUEMI-GFCCVEGCSA-N 1 0 322.352 1.877 10 0 DDAERO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](C(N)=S)c1ccccc1 ZINC000061616747 184179187 /nfs/dbraw/zinc/17/91/87/184179187.db2.gz CCGBIQALIGFFFS-OCCSQVGLSA-N 1 0 307.463 1.903 10 0 DDAERO Cc1nc(Cl)sc1S(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061644663 184180470 /nfs/dbraw/zinc/18/04/70/184180470.db2.gz DOUYSSSKTXDKPT-VIFPVBQESA-N 1 0 323.871 1.820 10 0 DDAERO C[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCCO[C@@H](C)C2)c1 ZINC000061935988 184196753 /nfs/dbraw/zinc/19/67/53/184196753.db2.gz PALGCZNNINECRF-QWHCGFSZSA-N 1 0 312.435 1.767 10 0 DDAERO COCCC[N@H+](C)C[C@H](O)COc1ccc(C(N)=S)cc1 ZINC000062031604 184202412 /nfs/dbraw/zinc/20/24/12/184202412.db2.gz DXBMZUNABMYOGW-ZDUSSCGKSA-N 1 0 312.435 1.029 10 0 DDAERO C[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)c(F)c2)C[NH2+]1 ZINC000062037514 184202947 /nfs/dbraw/zinc/20/29/47/184202947.db2.gz AFTACZWOWNROPI-UWVGGRQHSA-N 1 0 304.362 1.631 10 0 DDAERO CC[C@H]([NH3+])[C@H](c1ccsc1)N1CCN(S(C)(=O)=O)CC1 ZINC000062081602 184204970 /nfs/dbraw/zinc/20/49/70/184204970.db2.gz RMLDBCLLLZESET-STQMWFEESA-N 1 0 317.480 1.104 10 0 DDAERO CCCn1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2C[NH3+])nc1C ZINC000061884150 184192272 /nfs/dbraw/zinc/19/22/72/184192272.db2.gz BNTCMMXBWXUSHC-NWDGAFQWSA-N 1 0 300.428 1.007 10 0 DDAERO CCOC(=O)[C@@H](CC[N@H+](C)C[C@@H]1CCCCO1)NC(C)C ZINC000062457177 184237117 /nfs/dbraw/zinc/23/71/17/184237117.db2.gz LQPMZBWEBCECNP-LSDHHAIUSA-N 1 0 300.443 1.807 10 0 DDAERO C[C@H](CNC(=O)[C@@H]1CCC(=O)N1c1ccccc1)[NH+]1CCCC1 ZINC000062348289 184231498 /nfs/dbraw/zinc/23/14/98/184231498.db2.gz CTYNIJYPOLFAEF-ZBFHGGJFSA-N 1 0 315.417 1.783 10 0 DDAERO CC[NH+](CC)CCN[C@H](C(N)=O)c1cc(F)c(F)c(F)c1 ZINC000062712467 184248888 /nfs/dbraw/zinc/24/88/88/184248888.db2.gz BLEJEZLMWCDVHH-ZDUSSCGKSA-N 1 0 303.328 1.562 10 0 DDAERO CC[NH2+][C@@H](C)c1ccc(F)cc1O[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000062746934 184251739 /nfs/dbraw/zinc/25/17/39/184251739.db2.gz GQPLQDKFMJITGS-WFBYXXMGSA-N 1 0 317.382 1.033 10 0 DDAERO C[NH+]1CCN(CCCNC(=O)c2ccc(Cl)cc2N)CC1 ZINC000062822931 184253945 /nfs/dbraw/zinc/25/39/45/184253945.db2.gz ZERXDIPFOGSSRU-UHFFFAOYSA-N 1 0 310.829 1.290 10 0 DDAERO CC1(C(=O)Nc2cc(S(C)(=O)=O)ccc2F)CC[NH2+]CC1 ZINC000062840201 184255468 /nfs/dbraw/zinc/25/54/68/184255468.db2.gz KQTFUKNONWEEJD-UHFFFAOYSA-N 1 0 314.382 1.557 10 0 DDAERO C[C@]1(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)CCC[NH2+]C1 ZINC000062857008 184256992 /nfs/dbraw/zinc/25/69/92/184256992.db2.gz VZDRQXPERUEQLY-FMKPAKJESA-N 1 0 312.479 1.889 10 0 DDAERO CCC[C@@]1(C(=O)Nc2cccc(S(N)(=O)=O)c2)CC[NH2+]C1 ZINC000062888656 184258356 /nfs/dbraw/zinc/25/83/56/184258356.db2.gz AVVJNKRCZLJELX-CQSZACIVSA-N 1 0 311.407 1.052 10 0 DDAERO CS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000063212226 184278434 /nfs/dbraw/zinc/27/84/34/184278434.db2.gz MDYVUHZWWUTRMK-KBPBESRZSA-N 1 0 310.419 1.480 10 0 DDAERO Cn1ncc2c1nc(CSc1ccc(O)cc1)[nH+]c2NN ZINC000063084361 184269891 /nfs/dbraw/zinc/26/98/91/184269891.db2.gz YWIASHBNLVSFRT-UHFFFAOYSA-N 1 0 302.363 1.647 10 0 DDAERO Cc1cnc2c(cccc2S(=O)(=O)N[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000063175589 184276513 /nfs/dbraw/zinc/27/65/13/184276513.db2.gz CJDHLVOFJHOFAR-QWHCGFSZSA-N 1 0 305.403 1.701 10 0 DDAERO CC[NH+](CC)CC(=O)Nc1cccc(C(=O)NCCCOC)c1 ZINC000066212139 184397226 /nfs/dbraw/zinc/39/72/26/184397226.db2.gz HNKHXJDCNNRRHU-UHFFFAOYSA-N 1 0 321.421 1.733 10 0 DDAERO [NH3+]C1(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)CCOCC1 ZINC000261861975 207366625 /nfs/dbraw/zinc/36/66/25/207366625.db2.gz NGGFHAKMJANEEV-MRXNPFEDSA-N 1 0 318.417 1.467 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(-n3cccn3)cc2)CCO1 ZINC000116798095 194772426 /nfs/dbraw/zinc/77/24/26/194772426.db2.gz UOXJCTCCKYXAPD-INIZCTEOSA-N 1 0 314.389 1.275 10 0 DDAERO C[C@@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)c1ccc(F)c(F)c1 ZINC000119860362 195051112 /nfs/dbraw/zinc/05/11/12/195051112.db2.gz PFQWCUSJZFAETB-BMIGLBTASA-N 1 0 315.364 1.638 10 0 DDAERO O=S(=O)(c1ccccc1N1CC[C@H]2C[NH2+]C[C@H]2C1)C(F)F ZINC000261688810 285048799 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CC[NH+](CC)[C@@H]1COC[C@H]2CN(Cc3cccnc3OC)C[C@H]21 ZINC000247903036 257115005 /nfs/dbraw/zinc/11/50/05/257115005.db2.gz WKRXJOHEKRIFSH-BRWVUGGUSA-N 1 0 319.449 1.879 10 0 DDAERO COCCNC(=O)[C@@H]1CO[C@@H]2CC[N@H+](Cc3ccco3)C[C@@H]2C1 ZINC000247845316 257115900 /nfs/dbraw/zinc/11/59/00/257115900.db2.gz MLGPCMRWPYWYHN-OFQRWUPVSA-N 1 0 322.405 1.269 10 0 DDAERO O=C(C[C@@H]1C[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]2O1)N1CCCCO1 ZINC000247800219 257117242 /nfs/dbraw/zinc/11/72/42/257117242.db2.gz UUTNKCXKMPOAST-KBMXLJTQSA-N 1 0 320.389 1.813 10 0 DDAERO c1cncc(CO[C@@H]2C[N@@H+](C3CCOCC3)[C@H]3COC[C@H]32)c1 ZINC000247825906 257117653 /nfs/dbraw/zinc/11/76/53/257117653.db2.gz JHFJPYDUDOYDIA-IXDOHACOSA-N 1 0 304.390 1.476 10 0 DDAERO C[C@@H]([NH3+])C(=O)NCc1ccccc1I ZINC000211771139 257132232 /nfs/dbraw/zinc/13/22/32/257132232.db2.gz OABGYUMBLNJSQX-SSDOTTSWSA-N 1 0 304.131 1.255 10 0 DDAERO Fc1cnccc1CN1C[C@@H]2OCCN(C[C@H]3CCCO3)[C@H]2C1 ZINC000503718342 257208136 /nfs/dbraw/zinc/20/81/36/257208136.db2.gz RMVIVNIPCCWWGM-PVAVHDDUSA-N 1 0 321.396 1.285 10 0 DDAERO Fc1cnc(N2CCO[C@@H]3CN(Cc4ccoc4)C[C@H]32)nc1 ZINC000503717034 257209537 /nfs/dbraw/zinc/20/95/37/257209537.db2.gz LHIPARXLCYJQLQ-ZIAGYGMSSA-N 1 0 304.325 1.298 10 0 DDAERO Cn1cc(C[C@@H]2[C@H]([NH+](C)C)CCN2c2ncc(F)cn2)cn1 ZINC000503715833 257210150 /nfs/dbraw/zinc/21/01/50/257210150.db2.gz BHELCZQHIIGOPY-ZIAGYGMSSA-N 1 0 304.373 1.101 10 0 DDAERO COc1cc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc(OC)c1 ZINC000121007649 195278975 /nfs/dbraw/zinc/27/89/75/195278975.db2.gz UBIBBFOPJKFZDG-OAHLLOKOSA-N 1 0 306.406 1.610 10 0 DDAERO CC(C)[NH2+]CCCS(=O)(=O)N1CC(=O)Nc2ccccc21 ZINC000049642245 134756889 /nfs/dbraw/zinc/75/68/89/134756889.db2.gz PUCFAKHADRZVQH-UHFFFAOYSA-N 1 0 311.407 1.163 10 0 DDAERO CCOCC[N@@H+]1CCN([C@@H](C)C(=O)N(CC)CC)C[C@H]1CC ZINC000105838158 286090239 /nfs/dbraw/zinc/09/02/39/286090239.db2.gz YYBKLYVMKDTXJV-JKSUJKDBSA-N 1 0 313.486 1.676 10 0 DDAERO COC[C@@H]1C[C@H](OC)CN1C(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638323568 422832243 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C[C@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1cccnc1 ZINC000049173130 407116978 /nfs/dbraw/zinc/11/69/78/407116978.db2.gz RCFWJWNVIDORNG-ZFWWWQNUSA-N 1 0 306.410 1.289 10 0 DDAERO C[N@H+](C[C@H](O)COC(C)(C)C)C[C@@H]1COc2ccccc2O1 ZINC000046704830 407062759 /nfs/dbraw/zinc/06/27/59/407062759.db2.gz OHELNNRAJCOXMF-UONOGXRCSA-N 1 0 309.406 1.934 10 0 DDAERO CC[N@@H+]1CCC[C@H](NC(=O)NCC(=O)Nc2cccc(F)c2)C1 ZINC000051717744 407142681 /nfs/dbraw/zinc/14/26/81/407142681.db2.gz XMIOCFVHOSFKQQ-AWEZNQCLSA-N 1 0 322.384 1.548 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCC(=O)Nc2ccccc2)C1 ZINC000052553470 407152948 /nfs/dbraw/zinc/15/29/48/407152948.db2.gz VXYFAORKVPLFGA-CQSZACIVSA-N 1 0 304.394 1.409 10 0 DDAERO COC(=O)c1cc(C[N@H+](C)C[C@H](O)COC(C)(C)C)oc1C ZINC000053442831 407168463 /nfs/dbraw/zinc/16/84/63/407168463.db2.gz QYJCOTYQZIUDOS-LBPRGKRZSA-N 1 0 313.394 1.982 10 0 DDAERO C[C@H]([NH3+])C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000095088900 407205637 /nfs/dbraw/zinc/20/56/37/407205637.db2.gz 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COc1cccc2c1CC[C@H]2NC(=O)C1(C[NH3+])CCOCC1 ZINC000261868735 407648581 /nfs/dbraw/zinc/64/85/81/407648581.db2.gz CVXDDBQZLRGYCS-CQSZACIVSA-N 1 0 304.390 1.554 10 0 DDAERO [NH3+]CC1(C(=O)NCc2nc(-c3ccccc3)no2)CCOCC1 ZINC000261883955 407654247 /nfs/dbraw/zinc/65/42/47/407654247.db2.gz FQOYRZFSBYPUPF-UHFFFAOYSA-N 1 0 316.361 1.108 10 0 DDAERO CCO[C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCOCC2 ZINC000186460364 407671266 /nfs/dbraw/zinc/67/12/66/407671266.db2.gz JMFMJZRXINOJDX-CVEARBPZSA-N 1 0 324.465 1.809 10 0 DDAERO Cc1nn(C)c(C)c1CN1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262002435 407707635 /nfs/dbraw/zinc/70/76/35/407707635.db2.gz LKYMZMNFHFBART-KRWDZBQOSA-N 1 0 305.470 1.154 10 0 DDAERO Cc1nn(C)c(C)c1OCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000153162445 407766845 /nfs/dbraw/zinc/76/68/45/407766845.db2.gz NBBBMZIEBMOQHE-FZMZJTMJSA-N 1 0 308.426 1.261 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)Cc2c(C)noc2C)C[C@H]1CC ZINC000116768068 407771665 /nfs/dbraw/zinc/77/16/65/407771665.db2.gz 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FSNRAHYVHIJXHQ-SJLPKXTDSA-N 1 0 320.433 1.065 10 0 DDAERO Cc1ccc(N2CC[C@H]([NH2+]C[C@@H]3CN(C)CCO3)C2=O)cc1 ZINC000119321158 408038663 /nfs/dbraw/zinc/03/86/63/408038663.db2.gz VRYLLVUWJCLVPZ-CVEARBPZSA-N 1 0 303.406 1.021 10 0 DDAERO CC(C)CCC[C@@H](C)NC(=O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000245456590 407987509 /nfs/dbraw/zinc/98/75/09/407987509.db2.gz TYLKWZOQHMKGBZ-CVEARBPZSA-N 1 0 313.486 1.580 10 0 DDAERO CCOC(=O)c1ccc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)o1 ZINC000245719508 408052601 /nfs/dbraw/zinc/05/26/01/408052601.db2.gz HRKBAUJOBAEKBP-HIFRSBDPSA-N 1 0 322.405 1.609 10 0 DDAERO Cn1c(CN2CCC[C@H](Cn3ccnn3)C2)nnc1C1CC1 ZINC000119212675 408015517 /nfs/dbraw/zinc/01/55/17/408015517.db2.gz PHMLMUJNZUSLCM-LBPRGKRZSA-N 1 0 301.398 1.196 10 0 DDAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1ccc(F)c(Br)c1 ZINC000263217332 408062490 /nfs/dbraw/zinc/06/24/90/408062490.db2.gz LBPDIQYKEQIKEV-CABZTGNLSA-N 1 0 303.175 1.258 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(CC2=Cc3ccccc3OC2)C[C@@H]1C ZINC000245783832 408067077 /nfs/dbraw/zinc/06/70/77/408067077.db2.gz UVQLXPVGICWSMD-GJZGRUSLSA-N 1 0 302.418 1.849 10 0 DDAERO CN1CC[NH2+]C[C@@H]1c1noc(COc2ccc(F)cc2F)n1 ZINC000263270633 408084644 /nfs/dbraw/zinc/08/46/44/408084644.db2.gz SCKJVYOODOUJFS-LLVKDONJSA-N 1 0 310.304 1.503 10 0 DDAERO CC(C)N1CC[C@@H]([N@@H+]2CC[C@H](CNc3ccccn3)C2)C1=O ZINC000175252101 408087266 /nfs/dbraw/zinc/08/72/66/408087266.db2.gz INHROZLJQQOBFF-HUUCEWRRSA-N 1 0 302.422 1.825 10 0 DDAERO Cc1cc2c(cc1C)O[C@H](c1nc([C@@H]3C[NH2+]CCN3C)no1)C2 ZINC000263292678 408093984 /nfs/dbraw/zinc/09/39/84/408093984.db2.gz VXWNJLKDAYBGOB-ZFWWWQNUSA-N 1 0 314.389 1.939 10 0 DDAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@H](C)CN1CCOCC1 ZINC000245993567 408115318 /nfs/dbraw/zinc/11/53/18/408115318.db2.gz IHHJOGLPOOJUMK-CJNGLKHVSA-N 1 0 306.454 1.895 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(CCCOCc2ccccc2)CC1 ZINC000182418113 408151696 /nfs/dbraw/zinc/15/16/96/408151696.db2.gz UZKROGDGCAUJSK-GOSISDBHSA-N 1 0 306.450 1.982 10 0 DDAERO CCCc1cnc(NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)s1 ZINC000190448504 408248300 /nfs/dbraw/zinc/24/83/00/408248300.db2.gz JZNCYRFWHGDBSN-JTQLQIEISA-N 1 0 310.423 1.197 10 0 DDAERO COCCN1CCN(C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000246264771 408197625 /nfs/dbraw/zinc/19/76/25/408197625.db2.gz LIVCYVHVHSRGOZ-ZMSDIMECSA-N 1 0 319.449 1.502 10 0 DDAERO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246299973 408212523 /nfs/dbraw/zinc/21/25/23/408212523.db2.gz BTAIMJOECSAXKP-ZACQAIPSSA-N 1 0 323.481 1.430 10 0 DDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(F)cc1 ZINC000190334827 408222225 /nfs/dbraw/zinc/22/22/25/408222225.db2.gz NKSRGKRYFVWFER-HUUCEWRRSA-N 1 0 319.380 1.849 10 0 DDAERO CC[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2)CCN1CCOC ZINC000246703307 408320665 /nfs/dbraw/zinc/32/06/65/408320665.db2.gz WJSVUNZZYVYPBT-CVEARBPZSA-N 1 0 305.422 1.256 10 0 DDAERO CC[C@H]1CN(C(=O)NC[C@H](C)COC)CC[N@@H+]1CCOC ZINC000246714025 408322778 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DDAERO O=C(NCCOc1ccc(Cl)cn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177634773 408674959 /nfs/dbraw/zinc/67/49/59/408674959.db2.gz BUCZRZSQGMWTQE-CYBMUJFWSA-N 1 0 324.812 1.603 10 0 DDAERO CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccnn2C)ncn1 ZINC000192982746 408679209 /nfs/dbraw/zinc/67/92/09/408679209.db2.gz JIYLXTFCQAKJHT-STQMWFEESA-N 1 0 315.425 1.571 10 0 DDAERO CC[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2ccccc2)CCN1C[C@H](C)O ZINC000249042425 408680601 /nfs/dbraw/zinc/68/06/01/408680601.db2.gz VEPSMRLGHYUILY-LESCRADOSA-N 1 0 319.449 1.164 10 0 DDAERO O=C(c1ccncc1Br)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000178231862 408790662 /nfs/dbraw/zinc/79/06/62/408790662.db2.gz XMTBRBLPMHLLRK-JTQLQIEISA-N 1 0 310.195 1.764 10 0 DDAERO CC[C@H]1CN(C(=O)NCc2ccc(F)cc2)CC[N@@H+]1C[C@H](C)O ZINC000252480729 408795840 /nfs/dbraw/zinc/79/58/40/408795840.db2.gz FQCZHPNOJBERSK-BBRMVZONSA-N 1 0 323.412 1.812 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccn3ccnc3c2)C1 ZINC000177972871 408748441 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Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)ccc1F ZINC000628376277 422157375 /nfs/dbraw/zinc/15/73/75/422157375.db2.gz NDWHWWDHNXPESU-HZPDHXFCSA-N 1 0 305.353 1.492 10 0 DDAERO C[C@@H]1CN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC000637868034 422434217 /nfs/dbraw/zinc/43/42/17/422434217.db2.gz LWTGNWOOAYTXFR-FMKPAKJESA-N 1 0 305.422 1.082 10 0 DDAERO CN(C[C@H]1CCCO1)C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637908978 422468945 /nfs/dbraw/zinc/46/89/45/422468945.db2.gz FKVZWEGLJGUKTF-CVEARBPZSA-N 1 0 305.422 1.083 10 0 DDAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1n[nH]cc1Br ZINC000648069225 423198879 /nfs/dbraw/zinc/19/88/79/423198879.db2.gz VHPPVGNYKAAZLF-SFYZADRCSA-N 1 0 301.188 1.163 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCOC[C@H]1C[C@@H](C)O ZINC000184443888 263387431 /nfs/dbraw/zinc/38/74/31/263387431.db2.gz TZOMFLRFEXZGSL-RBSFLKMASA-N 1 0 315.458 1.144 10 0 DDAERO COC(=O)[C@@H]1CCCCN1C[C@H](O)COc1ccccc1F ZINC000185368684 263392946 /nfs/dbraw/zinc/39/29/46/263392946.db2.gz 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ZINC000174095252 276536572 /nfs/dbraw/zinc/53/65/72/276536572.db2.gz NFGCIAZXJSZFTR-CJNGLKHVSA-N 1 0 314.376 1.387 10 0 DDAERO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)N1CCC[C@@H](C)C1 ZINC000261965903 278209280 /nfs/dbraw/zinc/20/92/80/278209280.db2.gz PZJNXKNCVXDKTE-UYTYNIKBSA-N 1 0 309.498 1.854 10 0 DDAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1=NN(C)C(=O)CC1 ZINC000182092184 278240960 /nfs/dbraw/zinc/24/09/60/278240960.db2.gz FBSVRHZEWSGXRQ-ZDUSSCGKSA-N 1 0 316.405 1.231 10 0 DDAERO C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262147907 279065284 /nfs/dbraw/zinc/06/52/84/279065284.db2.gz XJMDDNVUDKEOGP-GLQYFDAESA-N 1 0 304.390 1.801 10 0 DDAERO C[C@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@H](N2CCOCC2)C1)C1CC1 ZINC000173985389 279241345 /nfs/dbraw/zinc/24/13/45/279241345.db2.gz VEYZXVYXNZRYAD-PBHICJAKSA-N 1 0 321.465 1.182 10 0 DDAERO O=C([C@H]1CC12CC[NH2+]CC2)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000261925132 280125973 /nfs/dbraw/zinc/12/59/73/280125973.db2.gz JSDYGLRIOGDPQV-MFKMUULPSA-N 1 0 306.328 1.292 10 0 DDAERO Cn1cc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cn1 ZINC000054811080 280896942 /nfs/dbraw/zinc/89/69/42/280896942.db2.gz FOKAUGWQONJQDJ-HNNXBMFYSA-N 1 0 301.394 1.522 10 0 DDAERO CCN(CC)C(=O)[C@H](NC[C@@H]1CN(C)CCO1)c1ccccc1 ZINC000105933146 281051457 /nfs/dbraw/zinc/05/14/57/281051457.db2.gz UIKMWMUHXBXXNR-IAGOWNOFSA-N 1 0 319.449 1.516 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)N(CC)CC1CC1 ZINC000183940974 288311824 /nfs/dbraw/zinc/31/18/24/288311824.db2.gz KLRUKEUGJCPBNG-LSDHHAIUSA-N 1 0 315.483 1.522 10 0 DDAERO CC(C)C(=O)NCCCNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000127662956 281281825 /nfs/dbraw/zinc/28/18/25/281281825.db2.gz FFURQAGHIJHIKJ-KBPBESRZSA-N 1 0 312.458 1.177 10 0 DDAERO CCC[C@@H](C(=O)NCCC(=O)NCc1ccccc1)[NH+](C)C ZINC000128128934 281299618 /nfs/dbraw/zinc/29/96/18/281299618.db2.gz KQFLDNDRNGEQAO-HNNXBMFYSA-N 1 0 305.422 1.539 10 0 DDAERO CCOCC[N@@H+]1CCN(C(=O)NC[C@H](C)SC)C[C@@H]1CC ZINC000246726881 282010397 /nfs/dbraw/zinc/01/03/97/282010397.db2.gz ZDCNYTNVNFFUEQ-KBPBESRZSA-N 1 0 317.499 1.880 10 0 DDAERO CCCCS[C@H](C)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246735054 282010984 /nfs/dbraw/zinc/01/09/84/282010984.db2.gz MLQKKPASXHEWGW-HZSPNIEDSA-N 1 0 302.484 1.822 10 0 DDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000247278465 282041833 /nfs/dbraw/zinc/04/18/33/282041833.db2.gz KFNKSOJCYDCFRQ-FRRDWIJNSA-N 1 0 313.442 1.745 10 0 DDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ncccc2C(F)(F)F)CCO1 ZINC000180266759 289201324 /nfs/dbraw/zinc/20/13/24/289201324.db2.gz GKOXJYSVWOORFT-SNVBAGLBSA-N 1 0 317.311 1.503 10 0 DDAERO C[C@H](C(=O)N1CCOC[C@H]1C[C@@H](O)c1cccs1)C1C[NH2+]C1 ZINC000262302764 289291370 /nfs/dbraw/zinc/29/13/70/289291370.db2.gz BTGAWFHTDNAZBF-IACUBPJLSA-N 1 0 324.446 1.255 10 0 DDAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000262655581 289892134 /nfs/dbraw/zinc/89/21/34/289892134.db2.gz ZWURRGJBGFZOSG-OUCADQQQSA-N 1 0 304.394 1.440 10 0 DDAERO COc1ccc(C[C@@H](C)NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1OC ZINC000261655641 295137136 /nfs/dbraw/zinc/13/71/36/295137136.db2.gz FKEHKEVVIRTEHI-KYOSRNDESA-N 1 0 322.405 1.257 10 0 DDAERO [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)O1 ZINC000261611522 295274853 /nfs/dbraw/zinc/27/48/53/295274853.db2.gz BJFHVVXWZJTVPG-WCXIOVBPSA-N 1 0 318.417 1.777 10 0 DDAERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCC[C@H]1Cn1ccnc1 ZINC000333023274 298313688 /nfs/dbraw/zinc/31/36/88/298313688.db2.gz FFPVWKPSEGSXNS-XHSDSOJGSA-N 1 0 317.437 1.684 10 0 DDAERO CN(C(=O)Nc1cccc(Br)c1)[C@H]1C[NH2+]C[C@@H]1O ZINC000398594414 302359526 /nfs/dbraw/zinc/35/95/26/302359526.db2.gz RDRSWZZJXVREOU-QWRGUYRKSA-N 1 0 314.183 1.246 10 0 DDAERO C[C@H]([NH2+]Cc1nncn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400524460 302369969 /nfs/dbraw/zinc/36/99/69/302369969.db2.gz PMGPRLZICFUOPS-RYUDHWBXSA-N 1 0 309.414 1.550 10 0 DDAERO COC[C@](C)(O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400730718 302370597 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O=C(NC[C@@H]1C[NH2+]C[C@H]1O)C1(c2ccccc2F)CCCC1 ZINC000262063889 484261187 /nfs/dbraw/zinc/26/11/87/484261187.db2.gz BBUBFGPKOCTGRU-SWLSCSKDSA-N 1 0 306.381 1.334 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc(Cl)ccc1OC(F)F ZINC000262057427 484261225 /nfs/dbraw/zinc/26/12/25/484261225.db2.gz APVVKBAGFSWCLN-XCBNKYQSSA-N 1 0 320.723 1.252 10 0 DDAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1cc(Cl)ccc1OC(F)F ZINC000262130917 484263530 /nfs/dbraw/zinc/26/35/30/484263530.db2.gz NXASKKLNIIABJX-ONGXEEELSA-N 1 0 306.740 1.611 10 0 DDAERO Cc1ccc(Br)cc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262335813 484268952 /nfs/dbraw/zinc/26/89/52/484268952.db2.gz SPSIYNUMWZTNMQ-SKDRFNHKSA-N 1 0 313.195 1.068 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)C1(c2cccc(Cl)c2)CCCC1 ZINC000262340414 484269026 /nfs/dbraw/zinc/26/90/26/484269026.db2.gz SYIUKUXQWBCDGQ-DOMZBBRYSA-N 1 0 322.836 1.848 10 0 DDAERO CCCOc1ccc(Cl)cc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262379790 484270225 /nfs/dbraw/zinc/27/02/25/484270225.db2.gz WZBGYCALUUCBLZ-MFKMUULPSA-N 1 0 312.797 1.439 10 0 DDAERO COc1ccc(F)cc1C[N@H+]1C[C@@H](OC)[C@H](c2c[nH]nn2)C1 ZINC000668576802 485222735 /nfs/dbraw/zinc/22/27/35/485222735.db2.gz ADMITAUPUXNLTA-SWLSCSKDSA-N 1 0 306.341 1.567 10 0 DDAERO COC(=O)c1ccc(N2CCC([N@H+](C)CCO)CC2)nc1C ZINC000302078428 534184599 /nfs/dbraw/zinc/18/45/99/534184599.db2.gz ZFBCAJFWBKUKHJ-UHFFFAOYSA-N 1 0 307.394 1.070 10 0 DDAERO COCC[S@@](=O)Cc1cccc(NC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000159066908 522006561 /nfs/dbraw/zinc/00/65/61/522006561.db2.gz UIUQWUNUNUCZQV-FPTDNZKUSA-N 1 0 324.446 1.662 10 0 DDAERO CCCC[C@@H](COC)[NH2+][C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000328649880 528832385 /nfs/dbraw/zinc/83/23/85/528832385.db2.gz VIAJRKDTOCCVED-CABCVRRESA-N 1 0 322.453 1.544 10 0 DDAERO CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](Cn3cncn3)C2)CC1 ZINC000175070113 535144178 /nfs/dbraw/zinc/14/41/78/535144178.db2.gz PPKRWLXDELFZSG-HNNXBMFYSA-N 1 0 319.453 1.637 10 0 DDAERO CCN(CC[NH3+])c1ccc(F)cc1S(=O)(=O)C(F)(F)F ZINC000122816061 696725428 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O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2ccc(F)nc2)cc1 ZINC000189111924 697571410 /nfs/dbraw/zinc/57/14/10/697571410.db2.gz VUSIHQCBEJFZAM-UKRRQHHQSA-N 1 0 321.308 1.313 10 0 DDAERO C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000193460681 697668335 /nfs/dbraw/zinc/66/83/35/697668335.db2.gz XGQWJERKRSPZOW-OIBJUYFYSA-N 1 0 324.233 1.807 10 0 DDAERO COc1ccc(NC(=O)N[C@@H]2C[NH+]3CCC2CC3)c(OC)c1 ZINC000222593614 697757476 /nfs/dbraw/zinc/75/74/76/697757476.db2.gz ULBOEEUMAIJGMZ-CQSZACIVSA-N 1 0 305.378 1.920 10 0 DDAERO O=C([C@@H]1CCC[NH2+]C1)N(C1CC1)S(=O)(=O)c1cccs1 ZINC000223181578 697761017 /nfs/dbraw/zinc/76/10/17/697761017.db2.gz AXXNPRJDUIIYKA-SNVBAGLBSA-N 1 0 314.432 1.427 10 0 DDAERO O=C([C@@H]1CCC[NH2+]C1)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000229873310 697780284 /nfs/dbraw/zinc/78/02/84/697780284.db2.gz ANDUKEHEVFLGCI-GNJLHFKMSA-N 1 0 313.445 1.844 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](O)c2cccc(OC)c2)C1 ZINC000247600550 698368285 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SFIHKQPDGYMWOP-MRVPVSSYSA-N 1 0 316.224 1.826 10 0 DDAERO O=S(=O)(CC[NH2+]C1CC1)c1cccc(Br)c1 ZINC000081982862 192348758 /nfs/dbraw/zinc/34/87/58/192348758.db2.gz JRBYWXNNLHOUEZ-UHFFFAOYSA-N 1 0 304.209 1.975 10 0 DDAERO CC[C@H]1CN(c2ncnc3onc(C)c32)CC[N@@H+]1CCOC ZINC000193394352 539261417 /nfs/dbraw/zinc/26/14/17/539261417.db2.gz LJGVZFCWFVEMLC-LBPRGKRZSA-N 1 0 305.382 1.473 10 0 DDAERO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1sc2nccnc2c1N ZINC000088641916 185260937 /nfs/dbraw/zinc/26/09/37/185260937.db2.gz HDBUUAPVKNCYEZ-SECBINFHSA-N 1 0 307.423 1.590 10 0 DDAERO C[C@@H](c1cccc(Br)c1)N1CC[NH2+]C[C@@H]1C(N)=O ZINC000088659032 185261677 /nfs/dbraw/zinc/26/16/77/185261677.db2.gz OUAPSYQNNGLZSW-JOYOIKCWSA-N 1 0 312.211 1.269 10 0 DDAERO Cc1ccc(Cl)cc1OCC[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000088730752 185263519 /nfs/dbraw/zinc/26/35/19/185263519.db2.gz IGFDFBUWBHIKEQ-LBPRGKRZSA-N 1 0 303.811 1.804 10 0 DDAERO CC(C)(C)[NH2+]CCCc1nnc([C@H]2CCS(=O)(=O)C2)s1 ZINC000088812936 185266279 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CC[NH2+][C@@H](c1ccccc1)[C@H](C)S(=O)(=O)CCC(=O)OC ZINC000082004473 192353602 /nfs/dbraw/zinc/35/36/02/192353602.db2.gz JOGMVYQRUQELLZ-SWLSCSKDSA-N 1 0 313.419 1.704 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NC(=O)c1cccc(OC(F)F)c1 ZINC000090312453 185290696 /nfs/dbraw/zinc/29/06/96/185290696.db2.gz DJUYLEVPHBADOQ-UTUOFQBUSA-N 1 0 300.305 1.523 10 0 DDAERO O=C(c1cc(F)cc(Br)c1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090321485 185290868 /nfs/dbraw/zinc/29/08/68/185290868.db2.gz HOHYMPHWMQMMFX-NXEZZACHSA-N 1 0 313.170 1.880 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1C(=O)c1cncc(Br)c1 ZINC000090335837 185291678 /nfs/dbraw/zinc/29/16/78/185291678.db2.gz PCCNJOIIXGDJGE-CMPLNLGQSA-N 1 0 324.222 1.914 10 0 DDAERO CN(Cc1ccc(Br)cc1)C(=O)[C@H]1COC[C@H]1[NH3+] ZINC000090381713 185293536 /nfs/dbraw/zinc/29/35/36/185293536.db2.gz JZKHWABBOJBTNW-NWDGAFQWSA-N 1 0 313.195 1.381 10 0 DDAERO [NH3+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(Br)cc1F ZINC000090378627 185293544 /nfs/dbraw/zinc/29/35/44/185293544.db2.gz DNNPIRRBLQIVTR-IONNQARKSA-N 1 0 303.131 1.500 10 0 DDAERO C[C@]1(C(=O)Nc2cc3c(cc2Cl)OCCO3)COC[C@@H]1[NH3+] ZINC000090585535 185305168 /nfs/dbraw/zinc/30/51/68/185305168.db2.gz ZNWMTPMDPVBIKG-JSGCOSHPSA-N 1 0 312.753 1.414 10 0 DDAERO CN(Cc1nc2ccccc2s1)C(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090590888 185305368 /nfs/dbraw/zinc/30/53/68/185305368.db2.gz PISAWICCRIRUNX-SWLSCSKDSA-N 1 0 305.403 1.619 10 0 DDAERO C[C@]1(C(=O)NCc2cccc(Br)c2)COC[C@@H]1[NH3+] ZINC000090600038 185305748 /nfs/dbraw/zinc/30/57/48/185305748.db2.gz HHUIKOLAWGKKGX-AAEUAGOBSA-N 1 0 313.195 1.429 10 0 DDAERO C[C@]1(C(=O)NCc2cccc(Br)c2)COC[C@H]1[NH3+] ZINC000090600042 185305768 /nfs/dbraw/zinc/30/57/68/185305768.db2.gz HHUIKOLAWGKKGX-YPMHNXCESA-N 1 0 313.195 1.429 10 0 DDAERO CN(Cc1ccc(Br)o1)C(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000090594253 185305788 /nfs/dbraw/zinc/30/57/88/185305788.db2.gz RGNMFGHEBMSRHF-SKDRFNHKSA-N 1 0 317.183 1.364 10 0 DDAERO C[C@@]1(CN2CCN(c3ccc(Cl)cc3)CC2)COC[C@@H]1[NH3+] ZINC000090606519 185306269 /nfs/dbraw/zinc/30/62/69/185306269.db2.gz FOGXLMMTAAIKPD-JKSUJKDBSA-N 1 0 309.841 1.826 10 0 DDAERO CC(C)[C@H](CO)NS(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000092426609 185317566 /nfs/dbraw/zinc/31/75/66/185317566.db2.gz SUWXGPSKMZMAOI-LBPRGKRZSA-N 1 0 318.439 1.463 10 0 DDAERO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(N)ccc1Cl ZINC000092622048 185330034 /nfs/dbraw/zinc/33/00/34/185330034.db2.gz GQGTUAHNEAGJNO-LLVKDONJSA-N 1 0 317.842 1.637 10 0 DDAERO O=C(c1cn(C2C[NH2+]C2)nn1)N1CCC[C@@H]1c1ccsc1 ZINC000092701283 185333918 /nfs/dbraw/zinc/33/39/18/185333918.db2.gz QPJHFXBGIQAHTK-CYBMUJFWSA-N 1 0 303.391 1.461 10 0 DDAERO COc1ccc(C[NH3+])cc1S(=O)(=O)NC1C(C)(C)C1(C)C ZINC000092833251 185344969 /nfs/dbraw/zinc/34/49/69/185344969.db2.gz WJHAXQFTDNBQNF-UHFFFAOYSA-N 1 0 312.435 1.867 10 0 DDAERO CC[C@@H](O)C[NH+]1CCN(C(=O)/C=C\c2ccc(Cl)nc2)CC1 ZINC000255849648 282281921 /nfs/dbraw/zinc/28/19/21/282281921.db2.gz XCOZUNCSJKYBMW-KXQLTZBTSA-N 1 0 323.824 1.663 10 0 DDAERO COC(=O)[C@H](C)[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000262633640 282292509 /nfs/dbraw/zinc/29/25/09/282292509.db2.gz OABNRSJANOGWRC-BEAPCOKYSA-N 1 0 304.390 1.780 10 0 DDAERO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1cccc2c1N=S=N2 ZINC000229593991 201842664 /nfs/dbraw/zinc/84/26/64/201842664.db2.gz HAFFNWJLOXUAEJ-BDAKNGLRSA-N 1 0 312.420 1.832 10 0 DDAERO CC[NH2+][C@H](C)C1CCN(S(=O)(=O)N2CCC(C)CC2)CC1 ZINC000111714602 185629174 /nfs/dbraw/zinc/62/91/74/185629174.db2.gz GNNAGIUUGGMCMP-CQSZACIVSA-N 1 0 317.499 1.673 10 0 DDAERO C[NH2+][C@@H](C)[C@H]1CCCCN1S(=O)(=O)N1CCCCCC1 ZINC000111715056 185629603 /nfs/dbraw/zinc/62/96/03/185629603.db2.gz SSQFTBGTKDGVEW-UONOGXRCSA-N 1 0 303.472 1.570 10 0 DDAERO CC(C)(C)OC(=O)NC[C@H]1C[NH2+]CCN1C(=O)OC(C)(C)C ZINC000616635832 362765132 /nfs/dbraw/zinc/76/51/32/362765132.db2.gz UDWUYJBUZCUNSZ-LLVKDONJSA-N 1 0 315.414 1.720 10 0 DDAERO C[C@@H](NC(=O)N[C@@H]1CCCn2ncnc21)C(C)(C)C[NH+](C)C ZINC000119514779 185755437 /nfs/dbraw/zinc/75/54/37/185755437.db2.gz TWBNLESMDLNGIT-VXGBXAGGSA-N 1 0 308.430 1.389 10 0 DDAERO Clc1cnc(N2CCN([C@@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000261582582 282541769 /nfs/dbraw/zinc/54/17/69/282541769.db2.gz GRJBOADUVXKNPB-LLVKDONJSA-N 1 0 301.221 1.872 10 0 DDAERO Cn1c(CN2CCO[C@H]3C[NH2+]C[C@H]32)nc2cc(Cl)ccc21 ZINC000299743302 282572929 /nfs/dbraw/zinc/57/29/29/282572929.db2.gz NCKWKPUDSFUSKJ-KGLIPLIRSA-N 1 0 306.797 1.399 10 0 DDAERO C[C@@H]1CC[C@@H](C[NH3+])CN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000070181189 190868750 /nfs/dbraw/zinc/86/87/50/190868750.db2.gz GWJXBESWPHHMNE-MNOVXSKESA-N 1 0 308.407 1.311 10 0 DDAERO CCn1cc(S(=O)(=O)N2[C@H](C)CCC[C@@H]2C[NH3+])nc1C ZINC000070153228 190863651 /nfs/dbraw/zinc/86/36/51/190863651.db2.gz BOMSJWSTQXXYLI-ZYHUDNBSSA-N 1 0 300.428 1.102 10 0 DDAERO C[C@@H]([NH3+])CCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000070315855 190880790 /nfs/dbraw/zinc/88/07/90/190880790.db2.gz LZNMXNGZUKLNHD-SSDOTTSWSA-N 1 0 305.787 1.053 10 0 DDAERO CCC1CCC(C[NH3+])(N(C)S(=O)(=O)c2c[nH]c(C)n2)CC1 ZINC000070418197 190887662 /nfs/dbraw/zinc/88/76/62/190887662.db2.gz FHOTZGIBSXUNAK-UHFFFAOYSA-N 1 0 314.455 1.636 10 0 DDAERO CCCNC(=O)COc1ccc(C[NH3+])cc1Br ZINC000070580015 190907731 /nfs/dbraw/zinc/90/77/31/190907731.db2.gz NNVCPUUONRLHHL-UHFFFAOYSA-N 1 0 301.184 1.813 10 0 DDAERO CN1C[C@@H]([NH2+][C@@H]2CCS(=O)(=O)c3ccccc32)CCC1=O ZINC000084063015 192398519 /nfs/dbraw/zinc/39/85/19/192398519.db2.gz PPLXLYLKIRIURE-WCQYABFASA-N 1 0 308.403 1.116 10 0 DDAERO CC[C@H](C(=O)N1CCC(N(C)c2cccnn2)CC1)[NH+](C)C ZINC000164106849 186148789 /nfs/dbraw/zinc/14/87/89/186148789.db2.gz LMQORCDTEIYUAA-CQSZACIVSA-N 1 0 305.426 1.244 10 0 DDAERO CCCN(CC(=O)OCC)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262850971 186313097 /nfs/dbraw/zinc/31/30/97/186313097.db2.gz VEXAURFCPKCWSL-ZDUSSCGKSA-N 1 0 322.409 1.223 10 0 DDAERO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1CCC[C@H](OCCO)C1 ZINC000172293228 198072305 /nfs/dbraw/zinc/07/23/05/198072305.db2.gz AWUGOKPXLMARFM-UXLLHSPISA-N 1 0 320.433 1.726 10 0 DDAERO Cc1cnn(CCNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)c1 ZINC000173677616 198238898 /nfs/dbraw/zinc/23/88/98/198238898.db2.gz ZOHUPUSUWUKUGB-OAHLLOKOSA-N 1 0 308.426 1.101 10 0 DDAERO CCCc1ncc(C(=O)N2CCN(CCOC)[C@H](C)C2)s1 ZINC000173805220 198253720 /nfs/dbraw/zinc/25/37/20/198253720.db2.gz ISOLXOZQHWHCPR-GFCCVEGCSA-N 1 0 311.451 1.888 10 0 DDAERO COC(=O)C[C@H]1CCCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000084963542 353730646 /nfs/dbraw/zinc/73/06/46/353730646.db2.gz KZZQXOFMOYWKNN-SJORKVTESA-N 1 0 321.417 1.982 10 0 DDAERO CC(C)CC(=O)N[C@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)C(C)C ZINC000108325931 353950149 /nfs/dbraw/zinc/95/01/49/353950149.db2.gz DCJUULULYQRTSL-ZBFHGGJFSA-N 1 0 311.470 1.631 10 0 DDAERO CCCOCCOC(=O)c1ccnc(N2CC[C@H]([NH+](C)C)C2)c1 ZINC000176624818 198605959 /nfs/dbraw/zinc/60/59/59/198605959.db2.gz MDQUVKNYDUOOCW-HNNXBMFYSA-N 1 0 321.421 1.805 10 0 DDAERO COC(=O)[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)Cc1cccc(C)c1 ZINC000262640559 354394803 /nfs/dbraw/zinc/39/48/03/354394803.db2.gz RGNXIXGZVHZMDN-JYJNAYRXSA-N 1 0 318.417 1.570 10 0 DDAERO Cc1cccc(S(=O)(=O)N(C)[C@H]2CCC[NH2+]CC2)c1F ZINC000313224794 354478718 /nfs/dbraw/zinc/47/87/18/354478718.db2.gz AJJCAAMZGARMIC-LBPRGKRZSA-N 1 0 300.399 1.897 10 0 DDAERO C[N@H+](CC1CC1)C[C@H]1CN(C(=O)Cc2ccccc2F)CCO1 ZINC000328635682 354555286 /nfs/dbraw/zinc/55/52/86/354555286.db2.gz NORLPJYDMBJEON-INIZCTEOSA-N 1 0 320.408 1.937 10 0 DDAERO Cn1ccnc1[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CCN1C ZINC000328618004 354547771 /nfs/dbraw/zinc/54/77/71/354547771.db2.gz DGRCGYNRGRSKLJ-HNNXBMFYSA-N 1 0 324.388 1.197 10 0 DDAERO Cc1nc2cc(S(=O)(=O)NCCC[NH+](C)C)ccc2n1C ZINC000074945247 191394101 /nfs/dbraw/zinc/39/41/01/191394101.db2.gz SIJQUEAOBBOWKP-UHFFFAOYSA-N 1 0 310.423 1.112 10 0 DDAERO O=S(=O)(N[C@H]1C[C@H]2CC[C@@H]1C2)c1cccc2c1CC[NH2+]C2 ZINC000080155294 192005658 /nfs/dbraw/zinc/00/56/58/192005658.db2.gz GEUICMRAVKWLGL-ZOWXZIJZSA-N 1 0 306.431 1.799 10 0 DDAERO NS(=O)(=O)[C@H]1CC[C@@H](c2ccccc2OC(F)(F)F)[NH2+]C1 ZINC000080106155 192001648 /nfs/dbraw/zinc/00/16/48/192001648.db2.gz BROZAFODWDYUAU-WPRPVWTQSA-N 1 0 324.324 1.667 10 0 DDAERO C[C@@H](O)[C@H]([NH3+])CNC(=O)c1cc(F)ccc1Br ZINC000080698591 192183405 /nfs/dbraw/zinc/18/34/05/192183405.db2.gz HSSUUXKXZADCSF-LHLIQPBNSA-N 1 0 305.147 1.026 10 0 DDAERO CCOC(=O)[C@H](N)CCSC[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000080746766 192186768 /nfs/dbraw/zinc/18/67/68/192186768.db2.gz URYYFTJLUXFBLC-QWHCGFSZSA-N 1 0 304.456 1.109 10 0 DDAERO CC(C)[NH2+]CCCCN1CCn2c(nnc2C(F)(F)F)C1 ZINC000081525859 192283980 /nfs/dbraw/zinc/28/39/80/192283980.db2.gz AVDYBQRWMJMSLH-UHFFFAOYSA-N 1 0 305.348 1.891 10 0 DDAERO C[NH2+][C@@H](CN1CCn2c(nnc2C(F)(F)F)C1)C(C)(C)C ZINC000081533512 192284809 /nfs/dbraw/zinc/28/48/09/192284809.db2.gz JBYACHIHTLJGGC-VIFPVBQESA-N 1 0 305.348 1.747 10 0 DDAERO C[C@@H]1CC[C@@](C[NH3+])(N2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC000081532179 192284828 /nfs/dbraw/zinc/28/48/28/192284828.db2.gz MHTKGZKXUJDUQF-BXKDBHETSA-N 1 0 303.332 1.630 10 0 DDAERO CCC[C@@H](C)[C@@H](C[NH3+])N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081532121 192285097 /nfs/dbraw/zinc/28/50/97/192285097.db2.gz GPPNFUAUNIKQMH-NXEZZACHSA-N 1 0 305.348 1.876 10 0 DDAERO [NH3+][C@H]1CCCCC[C@@H]1N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081533639 192285450 /nfs/dbraw/zinc/28/54/50/192285450.db2.gz MCQPBICQOMBEAO-UWVGGRQHSA-N 1 0 303.332 1.773 10 0 DDAERO [NH3+][C@H]1CCCC[C@@H]1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000081541264 192286692 /nfs/dbraw/zinc/28/66/92/192286692.db2.gz LEHDUXLYDHOSRQ-ZJUUUORDSA-N 1 0 303.332 1.630 10 0 DDAERO Cc1nc(N2CCn3cnnc3C2)sc1C[NH2+]C(C)(C)C ZINC000081544200 192287154 /nfs/dbraw/zinc/28/71/54/192287154.db2.gz DFSOFFUWUVVDRK-UHFFFAOYSA-N 1 0 306.439 1.951 10 0 DDAERO C[NH2+][C@H](C)c1cccc(S(=O)(=O)N[C@@H](C)CCOC)c1 ZINC000081717808 192316154 /nfs/dbraw/zinc/31/61/54/192316154.db2.gz PVCAAQAOWLVLDW-NWDGAFQWSA-N 1 0 300.424 1.670 10 0 DDAERO [NH3+][C@]1(C(=O)NCc2ccc(OC(F)(F)F)cc2)CCOC1 ZINC000085912589 192539669 /nfs/dbraw/zinc/53/96/69/192539669.db2.gz FTFIGCQAHGHZJT-GFCCVEGCSA-N 1 0 304.268 1.319 10 0 DDAERO CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CCS(=O)(=O)C1 ZINC000086261504 192557239 /nfs/dbraw/zinc/55/72/39/192557239.db2.gz QQTSFJYWVVKZRM-AEGPPILISA-N 1 0 300.468 1.274 10 0 DDAERO COCC[S@](=O)Cc1cccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000237125033 202160166 /nfs/dbraw/zinc/16/01/66/202160166.db2.gz YPZXQISPLADTIM-SOHPYSCWSA-N 1 0 324.446 1.648 10 0 DDAERO COC[C@@H](NS(=O)(=O)Cc1ccc(C[NH3+])cc1)C(C)C ZINC000086697745 192594808 /nfs/dbraw/zinc/59/48/08/192594808.db2.gz LDAFLMOBXBANDP-CQSZACIVSA-N 1 0 300.424 1.236 10 0 DDAERO CC[C@H]1C[NH2+][C@@H](CC(C)C)CN1CCCS(=O)(=O)CC ZINC000086982424 192607057 /nfs/dbraw/zinc/60/70/57/192607057.db2.gz YSJQYMWARAUBDE-GJZGRUSLSA-N 1 0 304.500 1.910 10 0 DDAERO CCCN(C)S(=O)(=O)c1c(C)nn(CC[NH2+]CC)c1C ZINC000088947329 192665288 /nfs/dbraw/zinc/66/52/88/192665288.db2.gz MJYATOPHZZIGSD-UHFFFAOYSA-N 1 0 302.444 1.140 10 0 DDAERO CC[C@H](C)N(CCOC)S(=O)(=O)c1cc(C[NH2+]C)n(C)c1 ZINC000089005128 192692281 /nfs/dbraw/zinc/69/22/81/192692281.db2.gz JMFWSONNCCOTRG-LBPRGKRZSA-N 1 0 317.455 1.180 10 0 DDAERO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000180123386 199119853 /nfs/dbraw/zinc/11/98/53/199119853.db2.gz FHTQXOFUEPDQGI-HNNXBMFYSA-N 1 0 315.421 1.886 10 0 DDAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(CC(C)C)C(C)C ZINC000089005429 192692589 /nfs/dbraw/zinc/69/25/89/192692589.db2.gz RBBBDVHTEOLPAZ-CQSZACIVSA-N 1 0 305.488 1.672 10 0 DDAERO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2ncccc2C)C1 ZINC000348018340 283337607 /nfs/dbraw/zinc/33/76/07/283337607.db2.gz HZFFXYLULCLKGK-GJZGRUSLSA-N 1 0 303.406 1.715 10 0 DDAERO CSc1ncc(C(=O)N2CC[NH2+]CC2)n1-c1ccccc1 ZINC000237371261 202246467 /nfs/dbraw/zinc/24/64/67/202246467.db2.gz IPFHQWNNHKUFHU-UHFFFAOYSA-N 1 0 302.403 1.640 10 0 DDAERO CCC[NH2+]Cc1c(C)[nH]nc1S(=O)(=O)N[C@@H]1CC1(C)C ZINC000089014198 192698799 /nfs/dbraw/zinc/69/87/99/192698799.db2.gz 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314.389 1.048 10 0 DDAERO CC1(C2CCN(C(=O)c3ccc(C[NH3+])cc3)CC2)OCCO1 ZINC000262276961 203247784 /nfs/dbraw/zinc/24/77/84/203247784.db2.gz ICOXXNNKHSUFTP-UHFFFAOYSA-N 1 0 304.390 1.761 10 0 DDAERO COCC[NH2+]C[C@H](c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000093148051 193208505 /nfs/dbraw/zinc/20/85/05/193208505.db2.gz CTCXRFNFYALXND-DZGCQCFKSA-N 1 0 315.410 1.580 10 0 DDAERO CC[C@H](C)CN(CC)S(=O)(=O)c1cnn(CC[NH2+]C)c1 ZINC000093265883 193222632 /nfs/dbraw/zinc/22/26/32/193222632.db2.gz ZJFOPIPAHWUAFF-LBPRGKRZSA-N 1 0 302.444 1.159 10 0 DDAERO CC[C@H](C)CN(CC)S(=O)(=O)c1c(C)n[nH]c1C[NH2+]C ZINC000093265780 193223182 /nfs/dbraw/zinc/22/31/82/193223182.db2.gz JXMXJASBVKRSIZ-JTQLQIEISA-N 1 0 302.444 1.494 10 0 DDAERO NC(=O)N[C@@H](CC(=O)N[C@H]1CCC[C@H]1C[NH3+])c1cccs1 ZINC000262614480 203351369 /nfs/dbraw/zinc/35/13/69/203351369.db2.gz GEXNAVBEESGAMD-DCAQKATOSA-N 1 0 310.423 1.091 10 0 DDAERO C[C@H](Cc1cccs1)N(C)S(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000093292127 193225542 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Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)ccc1N ZINC000094457311 193371458 /nfs/dbraw/zinc/37/14/58/193371458.db2.gz JZQJUVHGQKPILR-STQMWFEESA-N 1 0 309.435 1.434 10 0 DDAERO FC(F)(F)[C@]1(c2nc([C@@H]3CSCCO3)no2)CC[NH2+]C1 ZINC000094502145 193374623 /nfs/dbraw/zinc/37/46/23/193374623.db2.gz GUEDIAYAWBUUAQ-OIBJUYFYSA-N 1 0 309.313 1.668 10 0 DDAERO [NH3+]Cc1nc([C@@H]2CN3CCN2CC3)sc1-c1ccccc1 ZINC000094511378 193376198 /nfs/dbraw/zinc/37/61/98/193376198.db2.gz IBXMKUWMIGBARD-AWEZNQCLSA-N 1 0 300.431 1.941 10 0 DDAERO CCc1ccsc1C(=O)NC1CC[NH+](CC(N)=S)CC1 ZINC000094531271 193377528 /nfs/dbraw/zinc/37/75/28/193377528.db2.gz BYUCNKHSLPBZGT-UHFFFAOYSA-N 1 0 311.476 1.791 10 0 DDAERO C[N@@H+]1CCC[C@H](Nc2nc3c(Br)cccn3n2)C1 ZINC000094603869 193383733 /nfs/dbraw/zinc/38/37/33/193383733.db2.gz AHWSDMLHKLDTEU-VIFPVBQESA-N 1 0 310.199 1.998 10 0 DDAERO C[NH2+][C@@H]1CCCN(c2nc3ccc(Br)cn3n2)C1 ZINC000094607767 193384586 /nfs/dbraw/zinc/38/45/86/193384586.db2.gz PHVANHZUPYOWSR-SNVBAGLBSA-N 1 0 310.199 1.680 10 0 DDAERO Brc1cccn2nc(N3C[C@H]4C[NH2+]C[C@H]4C3)nc12 ZINC000094609061 193384742 /nfs/dbraw/zinc/38/47/42/193384742.db2.gz MLYORWZMIQRJKG-DTORHVGOSA-N 1 0 308.183 1.147 10 0 DDAERO CC[NH2+]Cc1sccc1S(=O)(=O)NC[C@@]1(C)CCCO1 ZINC000094815119 193399720 /nfs/dbraw/zinc/39/97/20/193399720.db2.gz QFUUBVNFEOLUTO-CYBMUJFWSA-N 1 0 318.464 1.705 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)NCCc2ccccc2F)cc1 ZINC000020559680 182232357 /nfs/dbraw/zinc/23/23/57/182232357.db2.gz WPLZQMLNBSZAFS-UHFFFAOYSA-N 1 0 308.378 1.805 10 0 DDAERO COc1ccc(CNCC[NH2+]C[C@H](C)O)cc1Br ZINC000020967653 182256886 /nfs/dbraw/zinc/25/68/86/182256886.db2.gz LKSVYICHSSIFQR-JTQLQIEISA-N 1 0 317.227 1.518 10 0 DDAERO CCCCS(=O)(=O)N1C[C@@H](C)N(CCC[NH+](C)C)[C@H](C)C1 ZINC000036125209 182804069 /nfs/dbraw/zinc/80/40/69/182804069.db2.gz YSHCDOXNRPGZRT-HUUCEWRRSA-N 1 0 319.515 1.463 10 0 DDAERO COc1cc(CC[NH3+])cc(Br)c1O[C@@H](C)C(N)=O ZINC000037720715 182920301 /nfs/dbraw/zinc/92/03/01/182920301.db2.gz XCLJGXASZDQMHG-ZETCQYMHSA-N 1 0 317.183 1.212 10 0 DDAERO COc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2[NH3+])c(OC)c1 ZINC000038050368 182981794 /nfs/dbraw/zinc/98/17/94/182981794.db2.gz QHJRABLWYOTSMP-NWDGAFQWSA-N 1 0 314.407 1.252 10 0 DDAERO CCC[NH2+]CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000039287063 183016174 /nfs/dbraw/zinc/01/61/74/183016174.db2.gz JVRJSIRLYQSYQI-AWEZNQCLSA-N 1 0 316.467 1.334 10 0 DDAERO [NH3+]C1(CNC(=O)N2CCC(O)CC2)C2CC3CC(C2)CC1C3 ZINC000333547401 249019236 /nfs/dbraw/zinc/01/92/36/249019236.db2.gz ORTIADNZXKECAQ-UHFFFAOYSA-N 1 0 307.438 1.306 10 0 DDAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccc3c(c2)NC(=O)CS3)C1 ZINC000040633349 183111400 /nfs/dbraw/zinc/11/14/00/183111400.db2.gz RNWWGDQZNRIZKL-ONGXEEELSA-N 1 0 307.375 1.046 10 0 DDAERO C[C@@H]([NH2+]CCc1nccn1C)c1ccc(S(C)(=O)=O)cc1 ZINC000040638806 183113215 /nfs/dbraw/zinc/11/32/15/183113215.db2.gz KHFOFZVFGAOUKO-GFCCVEGCSA-N 1 0 307.419 1.717 10 0 DDAERO CN(C)C(=O)c1ccc(/C=C/C(=O)NCCC[NH+](C)C)cc1 ZINC000040647041 183114020 /nfs/dbraw/zinc/11/40/20/183114020.db2.gz BGLFQFRNFJTBMO-DHZHZOJOSA-N 1 0 303.406 1.470 10 0 DDAERO CCOC(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+](CC)CC ZINC000040614923 183109005 /nfs/dbraw/zinc/10/90/05/183109005.db2.gz RTVRJJHICMIAOW-HNNXBMFYSA-N 1 0 322.405 1.757 10 0 DDAERO COc1cc(CCNC(=O)C[C@@H](C)[NH3+])ccc1OC(F)F ZINC000040832972 183139213 /nfs/dbraw/zinc/13/92/13/183139213.db2.gz TXSBFEWTTFVOJS-SECBINFHSA-N 1 0 302.321 1.693 10 0 DDAERO COC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1C[C@@H](OC)C[NH2+]1 ZINC000040852828 183142209 /nfs/dbraw/zinc/14/22/09/183142209.db2.gz UXVMAAMREJSGAM-ZJUUUORDSA-N 1 0 312.391 1.467 10 0 DDAERO C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N[C@H]2CCCN(C)C2)c1 ZINC000040716246 183122416 /nfs/dbraw/zinc/12/24/16/183122416.db2.gz MYBAIZOGUXLQNP-JSGCOSHPSA-N 1 0 311.451 1.340 10 0 DDAERO [NH3+]Cc1cccc(S(=O)(=O)Nc2ccc(CCO)cc2)c1 ZINC000040739069 183127183 /nfs/dbraw/zinc/12/71/83/183127183.db2.gz SGNXXRYGZAPEQL-UHFFFAOYSA-N 1 0 306.387 1.481 10 0 DDAERO [NH3+]Cc1cccc(S(=O)(=O)N(CCO)C2CCCCC2)c1 ZINC000042514369 183278993 /nfs/dbraw/zinc/27/89/93/183278993.db2.gz GARKNYMJELUOCM-UHFFFAOYSA-N 1 0 312.435 1.461 10 0 DDAERO CCOC(=O)CN(CC)S(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000042552035 183283758 /nfs/dbraw/zinc/28/37/58/183283758.db2.gz KPLUKZGGUWESOB-NSHDSACASA-N 1 0 314.407 1.280 10 0 DDAERO CC[C@H](C)N(CCOC)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000042589073 183288936 /nfs/dbraw/zinc/28/89/36/183288936.db2.gz CZVHGUFCFDBYQP-ZDUSSCGKSA-N 1 0 314.451 1.722 10 0 DDAERO [NH3+]Cc1ccc(S(=O)(=O)N(CC(F)(F)F)C2CC2)s1 ZINC000042782452 183308911 /nfs/dbraw/zinc/30/89/11/183308911.db2.gz CHQQBJKTGWXPJD-UHFFFAOYSA-N 1 0 314.354 1.922 10 0 DDAERO CC[C@H]([NH3+])[C@H](c1sccc1C)N1CCS(=O)(=O)CC1 ZINC000043248042 183347246 /nfs/dbraw/zinc/34/72/46/183347246.db2.gz WUZSSSHAKOFCBS-NWDGAFQWSA-N 1 0 302.465 1.565 10 0 DDAERO CNC(=O)CN(C)[C@@H](c1ccccc1Br)[C@H](C)[NH3+] ZINC000043091479 183335860 /nfs/dbraw/zinc/33/58/60/183335860.db2.gz MUPXDGJAGTVWDZ-TVQRCGJNSA-N 1 0 314.227 1.515 10 0 DDAERO C[C@H]([NH3+])Cc1ccc(O[C@H]2CCS(=O)(=O)C2)c(Cl)c1 ZINC000043491532 183366511 /nfs/dbraw/zinc/36/65/11/183366511.db2.gz SQNHZMQNUKDOSR-ONGXEEELSA-N 1 0 303.811 1.796 10 0 DDAERO NS(=O)(=O)c1ccccc1NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000043590555 183374002 /nfs/dbraw/zinc/37/40/02/183374002.db2.gz FMUWBDXHXHWGIA-LLVKDONJSA-N 1 0 311.407 1.052 10 0 DDAERO O=C([C@H]1C[NH2+]CCO1)N(Cc1ccccc1)CC(F)(F)F ZINC000043709855 183382542 /nfs/dbraw/zinc/38/25/42/183382542.db2.gz ZHJIFAFMUGYHHA-GFCCVEGCSA-N 1 0 302.296 1.566 10 0 DDAERO CN(C)C(C)(C)C[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000043411150 183359860 /nfs/dbraw/zinc/35/98/60/183359860.db2.gz SHKQLITYIBYYPG-AWEZNQCLSA-N 1 0 314.451 1.053 10 0 DDAERO Cc1ncsc1CCOC[C@H](O)C[NH2+]CC(C)(C)N(C)C ZINC000043411273 183360030 /nfs/dbraw/zinc/36/00/30/183360030.db2.gz NJKQIKVFQLGZOI-CYBMUJFWSA-N 1 0 315.483 1.301 10 0 DDAERO [NH3+]Cc1ccccc1S(=O)(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000043426947 183361562 /nfs/dbraw/zinc/36/15/62/183361562.db2.gz OWAVMZMYKXHUCA-UONOGXRCSA-N 1 0 310.419 1.477 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)NC[C@H](C)COC)cc1 ZINC000045648218 183521107 /nfs/dbraw/zinc/52/11/07/183521107.db2.gz QCIUHQMFTVEBJR-LBPRGKRZSA-N 1 0 300.424 1.357 10 0 DDAERO CO[C@H]1C[C@@H](CN(C)CC(=O)NCc2ccc(C)cc2)[N@H+](C)C1 ZINC000284914488 218232992 /nfs/dbraw/zinc/23/29/92/218232992.db2.gz TYTHXALQPNOEPI-IRXDYDNUSA-N 1 0 319.449 1.262 10 0 DDAERO CCCCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105803497 194132559 /nfs/dbraw/zinc/13/25/59/194132559.db2.gz NWGOBJOTRBYFOR-HUUCEWRRSA-N 1 0 319.453 1.682 10 0 DDAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000105874136 194152745 /nfs/dbraw/zinc/15/27/45/194152745.db2.gz OEVNIYKEVHQRQG-OLZOCXBDSA-N 1 0 321.469 1.999 10 0 DDAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000105874129 194153026 /nfs/dbraw/zinc/15/30/26/194153026.db2.gz UVXAQWGYFIRFHL-MELADBBJSA-N 1 0 321.469 1.999 10 0 DDAERO Cc1ccccc1NC(=O)[C@@H](C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105926031 194170837 /nfs/dbraw/zinc/17/08/37/194170837.db2.gz XZSIUGZADVSUGK-HUUCEWRRSA-N 1 0 305.422 1.584 10 0 DDAERO C[C@H]1Cc2cc(S(=O)(=O)N3CC[C@H]([NH+](C)C)C3)ccc2O1 ZINC000106229640 194190762 /nfs/dbraw/zinc/19/07/62/194190762.db2.gz XGRDPUFAFKKECQ-AAEUAGOBSA-N 1 0 310.419 1.335 10 0 DDAERO CCN(C[C@H]1CCCO1)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000048966177 183699672 /nfs/dbraw/zinc/69/96/72/183699672.db2.gz HLHVRIHESJGSJN-OAHLLOKOSA-N 1 0 312.435 1.476 10 0 DDAERO Cc1cc(N)cc(S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000049554569 183740821 /nfs/dbraw/zinc/74/08/21/183740821.db2.gz QAQAZKFVEFMIHP-AWEZNQCLSA-N 1 0 313.467 1.832 10 0 DDAERO C[C@H]1CN(C(=O)c2ccncc2Br)C[C@@H]1[NH+](C)C ZINC000268703632 206910415 /nfs/dbraw/zinc/91/04/15/206910415.db2.gz RWUIQTKVINUCLM-CABZTGNLSA-N 1 0 312.211 1.866 10 0 DDAERO CCC[C@H](C(N)=S)[NH+]1CCN(c2cc(CC)ncn2)CC1 ZINC000109471725 194266605 /nfs/dbraw/zinc/26/66/05/194266605.db2.gz JKOHZFJDRATCDG-CYBMUJFWSA-N 1 0 307.467 1.616 10 0 DDAERO CC[C@@H](C(N)=S)[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000109461305 194265409 /nfs/dbraw/zinc/26/54/09/194265409.db2.gz NSYGXWIAAXMNLA-ZDUSSCGKSA-N 1 0 307.419 1.215 10 0 DDAERO CC[C@@H](C(N)=S)[NH+]1CCN(CCOCC(F)(F)F)CC1 ZINC000109469011 194267273 /nfs/dbraw/zinc/26/72/73/194267273.db2.gz YEENLLRPEAWKGY-JTQLQIEISA-N 1 0 313.389 1.248 10 0 DDAERO CC[NH2+][C@H]1CCCCC[C@@H]1c1nc(CS(C)(=O)=O)no1 ZINC000109512494 194270271 /nfs/dbraw/zinc/27/02/71/194270271.db2.gz KDPWLBYPLAWOGO-QWRGUYRKSA-N 1 0 301.412 1.640 10 0 DDAERO O=c1cc(CN2CCC[C@H]2[C@@H]2CCC[NH2+]2)nc2sccn21 ZINC000051359547 183825433 /nfs/dbraw/zinc/82/54/33/183825433.db2.gz ACPWVZDQMMAHHI-STQMWFEESA-N 1 0 304.419 1.472 10 0 DDAERO CCN(CC[NH2+]C(C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000053707256 183910852 /nfs/dbraw/zinc/91/08/52/183910852.db2.gz UZEUPIZMNUOSJZ-UHFFFAOYSA-N 1 0 313.467 1.761 10 0 DDAERO C[C@@H]1CN(c2ncc(Br)cc2CO)CC[N@@H+]1C ZINC000110733148 194354504 /nfs/dbraw/zinc/35/45/04/194354504.db2.gz PNGRAGWVJTWESR-SECBINFHSA-N 1 0 300.200 1.477 10 0 DDAERO C[N@@H+]1CCN(C(=O)[C@@H](C(N)=S)c2ccccc2)CC1(C)C ZINC000110753332 194356206 /nfs/dbraw/zinc/35/62/06/194356206.db2.gz CIDNZVHLBLNWBF-CYBMUJFWSA-N 1 0 305.447 1.609 10 0 DDAERO C[C@@H]([NH3+])c1cccc(S(=O)(=O)N2CCN(C)C(C)(C)C2)c1 ZINC000110763497 194356250 /nfs/dbraw/zinc/35/62/50/194356250.db2.gz FCNXREIVJCGGJI-GFCCVEGCSA-N 1 0 311.451 1.421 10 0 DDAERO CCN([C@H]1CCC[NH2+]C1)S(=O)(=O)N(C)Cc1ccccc1 ZINC000110941499 194372653 /nfs/dbraw/zinc/37/26/53/194372653.db2.gz NFGVGFMXSUAGNU-HNNXBMFYSA-N 1 0 311.451 1.437 10 0 DDAERO COC(=O)[C@@](C)(CC[N@H+](C)C[C@@H]1CCCOC1)NC(C)C ZINC000111169713 194398521 /nfs/dbraw/zinc/39/85/21/194398521.db2.gz DNPNTEGDYGCJQH-GOEBONIOSA-N 1 0 300.443 1.665 10 0 DDAERO CC1CCC(CNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000056818957 184019825 /nfs/dbraw/zinc/01/98/25/184019825.db2.gz JOWZIMGNUBOLSV-UYSNPLJNSA-N 1 0 311.470 1.959 10 0 DDAERO O=S(=O)(CC1CC[NH2+]CC1)Nc1cc(F)c(F)c(F)c1 ZINC000061120946 184162256 /nfs/dbraw/zinc/16/22/56/184162256.db2.gz KJEAPAYCGIOFAV-UHFFFAOYSA-N 1 0 308.325 1.845 10 0 DDAERO C[C@@H](NC(=O)CN1CCC[NH2+]CC1)c1ccc(Cl)s1 ZINC000061270615 184167267 /nfs/dbraw/zinc/16/72/67/184167267.db2.gz LSBGRJXYOFVHJA-SNVBAGLBSA-N 1 0 301.843 1.874 10 0 DDAERO C[C@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(=O)c1ccc(Br)cn1 ZINC000061863880 184190524 /nfs/dbraw/zinc/19/05/24/184190524.db2.gz HGVMXMFRDYEOLO-AUTRQRHGSA-N 1 0 310.195 1.667 10 0 DDAERO CCN(CC)c1nc(Cl)nc(N(C)C2CC[NH+](C)CC2)n1 ZINC000061535189 184172695 /nfs/dbraw/zinc/17/26/95/184172695.db2.gz PGDNQSVBLNEULH-UHFFFAOYSA-N 1 0 312.849 1.902 10 0 DDAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C)c1ccccc1OC ZINC000061592558 184175612 /nfs/dbraw/zinc/17/56/12/184175612.db2.gz XHTMSBIHBAWJEK-PWSUYJOCSA-N 1 0 308.407 1.688 10 0 DDAERO C[NH+](C)C[C@@H]1CCCN1CC(=O)Nc1cc(Cl)ccc1N ZINC000061641673 184180353 /nfs/dbraw/zinc/18/03/53/184180353.db2.gz ZHPUJPJHBQNBPG-LBPRGKRZSA-N 1 0 310.829 1.887 10 0 DDAERO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cc(F)ccc1N ZINC000061642636 184180642 /nfs/dbraw/zinc/18/06/42/184180642.db2.gz DSRWVNDOMNJFBN-LLVKDONJSA-N 1 0 301.387 1.123 10 0 DDAERO O=C(Nc1cc(Br)ccc1Cl)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000061692506 184183540 /nfs/dbraw/zinc/18/35/40/184183540.db2.gz FBGVXOMINRUGAY-XCBNKYQSSA-N 1 0 319.586 1.764 10 0 DDAERO [NH3+]C[C@H](CN1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000061940933 184197233 /nfs/dbraw/zinc/19/72/33/184197233.db2.gz CEQWALHCPNIAJQ-CQSZACIVSA-N 1 0 301.356 1.909 10 0 DDAERO [NH3+]C[C@@H](CN1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000061940932 184197476 /nfs/dbraw/zinc/19/74/76/184197476.db2.gz CEQWALHCPNIAJQ-AWEZNQCLSA-N 1 0 301.356 1.909 10 0 DDAERO [NH3+]Cc1ccc(F)c(CN2CCN(CC(F)(F)F)CC2)c1 ZINC000061940950 184197574 /nfs/dbraw/zinc/19/75/74/184197574.db2.gz BJTIYZUNMMPPBO-UHFFFAOYSA-N 1 0 305.319 1.964 10 0 DDAERO C[NH2+]Cc1cc(CN2CCN(CC(F)(F)F)CC2)oc1C ZINC000061948295 184197934 /nfs/dbraw/zinc/19/79/34/184197934.db2.gz DZIWONUSWPLTTK-UHFFFAOYSA-N 1 0 305.344 1.987 10 0 DDAERO CC[C@@H]([C@@H]([NH3+])c1ccccc1)N1CCN(S(C)(=O)=O)CC1 ZINC000062083660 184204813 /nfs/dbraw/zinc/20/48/13/184204813.db2.gz JXGNBOHEXDMQCS-GJZGRUSLSA-N 1 0 311.451 1.042 10 0 DDAERO CC[NH2+][C@@H]1CCCCCC[C@@H]1N1CCN(S(C)(=O)=O)CC1 ZINC000062083962 184205030 /nfs/dbraw/zinc/20/50/30/184205030.db2.gz WPDAVLZSSGWWKI-CABCVRRESA-N 1 0 317.499 1.265 10 0 DDAERO C[NH2+]Cc1ccc(OCC(=O)N(C)C)c(Br)c1 ZINC000062700965 184247744 /nfs/dbraw/zinc/24/77/44/184247744.db2.gz ODOJHPJEFWQARK-UHFFFAOYSA-N 1 0 301.184 1.636 10 0 DDAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccc(N)cc2Cl)C1 ZINC000062965219 184262928 /nfs/dbraw/zinc/26/29/28/184262928.db2.gz GIZAPOIHNKRYRW-SNVBAGLBSA-N 1 0 303.815 1.247 10 0 DDAERO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2c(N)cccc2F)C1 ZINC000062975658 184263785 /nfs/dbraw/zinc/26/37/85/184263785.db2.gz GEHFHSYCDPAPTP-NSHDSACASA-N 1 0 315.414 1.513 10 0 DDAERO [NH3+]C[C@H](c1ccc(Cl)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000062977977 184264092 /nfs/dbraw/zinc/26/40/92/184264092.db2.gz NENNTJJBLKQANX-JKSUJKDBSA-N 1 0 309.841 1.746 10 0 DDAERO CS(=O)(=O)c1ccc(S(=O)(=O)C2CCC([NH3+])CC2)cc1 ZINC000063130920 184272297 /nfs/dbraw/zinc/27/22/97/184272297.db2.gz UBFMKTFXGBBDJJ-UHFFFAOYSA-N 1 0 317.432 1.134 10 0 DDAERO CCN(C1(C[NH3+])CCCCCC1)S(=O)(=O)C[C@@H]1CCCO1 ZINC000063154988 184274259 /nfs/dbraw/zinc/27/42/59/184274259.db2.gz LNLZHMZNWJUYAM-AWEZNQCLSA-N 1 0 318.483 1.869 10 0 DDAERO CCN(C1(C[NH3+])CCCCC1)S(=O)(=O)C[C@H]1CCCO1 ZINC000063154971 184274376 /nfs/dbraw/zinc/27/43/76/184274376.db2.gz WNBZZGUXZDLUDK-CYBMUJFWSA-N 1 0 304.456 1.479 10 0 DDAERO Cn1ccn2ncc(C(=O)NCC[N@@H+]3CCc4ccccc4C3)c12 ZINC000065396560 184335500 /nfs/dbraw/zinc/33/55/00/184335500.db2.gz ZJSNVKKQDOFBCV-UHFFFAOYSA-N 1 0 323.400 1.461 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC)cc2C)C1 ZINC000066218330 184397209 /nfs/dbraw/zinc/39/72/09/184397209.db2.gz XDXLKPXDPHOFPI-CYBMUJFWSA-N 1 0 319.405 1.543 10 0 DDAERO CCCC[NH+]1CCC(NC(=O)NCCn2cc(C)cn2)CC1 ZINC000118068546 194866400 /nfs/dbraw/zinc/86/64/00/194866400.db2.gz BIGKHWLXSVBJSH-UHFFFAOYSA-N 1 0 307.442 1.755 10 0 DDAERO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000119543835 194990806 /nfs/dbraw/zinc/99/08/06/194990806.db2.gz ORTHSAMAAKRMKD-YPMHNXCESA-N 1 0 322.457 1.697 10 0 DDAERO CC[C@H]1CN(C(=O)c2cccn2C(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000119665822 195013758 /nfs/dbraw/zinc/01/37/58/195013758.db2.gz FINJUZFQSVXZLM-CABCVRRESA-N 1 0 307.438 1.986 10 0 DDAERO O=S(=O)(c1ccccc1)c1ccc(N2CC[NH2+]CC2)cc1 ZINC000003716178 285048911 /nfs/dbraw/zinc/04/89/11/285048911.db2.gz SZAOHADKAZDUGT-UHFFFAOYSA-N 1 0 302.399 1.929 10 0 in-vivo DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(C)nc1 ZINC000120297624 195138025 /nfs/dbraw/zinc/13/80/25/195138025.db2.gz IGNWTDUZJJAYIU-CQSZACIVSA-N 1 0 304.394 1.271 10 0 DDAERO CCC[C@@H](C(=O)NCCC(=O)OCc1ccccc1)[NH+](C)C ZINC000157692187 197207913 /nfs/dbraw/zinc/20/79/13/197207913.db2.gz ZIMQIJJPUKBNNU-HNNXBMFYSA-N 1 0 306.406 1.966 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)NC(=O)NCC(C)C ZINC000245471617 285242289 /nfs/dbraw/zinc/24/22/89/285242289.db2.gz ODDHMAINJJLPDT-ZIAGYGMSSA-N 1 0 312.458 1.273 10 0 DDAERO CC(C)C[C@H](C)OCCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000120669021 195211700 /nfs/dbraw/zinc/21/17/00/195211700.db2.gz RAQODWJNCDKXOQ-OAGGEKHMSA-N 1 0 314.470 1.741 10 0 DDAERO Cc1cccc(S(=O)(=O)N2C[C@H]3COC[C@@]3(C[NH+](C)C)C2)c1 ZINC000248139564 257108205 /nfs/dbraw/zinc/10/82/05/257108205.db2.gz SXRHBYBUPBIMJE-GOEBONIOSA-N 1 0 324.446 1.194 10 0 DDAERO Cc1cc(C(=O)N2CCOC[C@]3(C[N@@H+](C)C[C@H]3C)C2)c(C)o1 ZINC000248079921 257109642 /nfs/dbraw/zinc/10/96/42/257109642.db2.gz AEFPEHBKPIJRSF-PXAZEXFGSA-N 1 0 306.406 1.937 10 0 DDAERO Cn1ccnc1C[N@@H+]1C[C@H](c2ccccc2)[C@]2(CCNC2=O)C1 ZINC000248110815 257109687 /nfs/dbraw/zinc/10/96/87/257109687.db2.gz HEJMDXPKGYRDCO-QAPCUYQASA-N 1 0 310.401 1.526 10 0 DDAERO C[NH+](C)CCN1C(=O)C[C@H]2[C@H]1CCN2C(=O)Cc1cccs1 ZINC000248024898 257110663 /nfs/dbraw/zinc/11/06/63/257110663.db2.gz SCKOVHCLKUUZTK-KGLIPLIRSA-N 1 0 321.446 1.054 10 0 DDAERO O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2cccnc2)N1CC1CCOCC1 ZINC000247854279 257116013 /nfs/dbraw/zinc/11/60/13/257116013.db2.gz IONABDIAUJCWDX-DLBZAZTESA-N 1 0 315.417 1.683 10 0 DDAERO O=C([C@@H]1C[C@@H]2OCC[C@@H]2[N@H+](Cc2ccoc2)C1)N1CCCCO1 ZINC000247803449 257117394 /nfs/dbraw/zinc/11/73/94/257117394.db2.gz XFVRKDLQJYGKCI-PMPSAXMXSA-N 1 0 320.389 1.813 10 0 DDAERO CS(=O)(=O)NC[C@@H]1OC[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000247488973 257119553 /nfs/dbraw/zinc/11/95/53/257119553.db2.gz ATHBIZDDHRAAQQ-OAGGEKHMSA-N 1 0 324.446 1.073 10 0 DDAERO CO[C@@H]1CCN(c2ncc(F)cn2)[C@H]2C[N@H+](CC3CC3)C[C@@H]21 ZINC000503718671 257208837 /nfs/dbraw/zinc/20/88/37/257208837.db2.gz UOFOWCDUWQOENK-SOUVJXGZSA-N 1 0 306.385 1.551 10 0 DDAERO Cn1ncc(N2CC[C@H](C[NH2+]C3Cc4ccccc4C3)C2)cc1=O ZINC000023192633 257211837 /nfs/dbraw/zinc/21/18/37/257211837.db2.gz ASXMACMHJDMOPR-CQSZACIVSA-N 1 0 324.428 1.364 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Cn1c2ccccc2[nH]c1=O ZINC000120964355 195272936 /nfs/dbraw/zinc/27/29/36/195272936.db2.gz WLSMMPICPFJJDF-CYBMUJFWSA-N 1 0 318.421 1.422 10 0 DDAERO CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000121005149 195277722 /nfs/dbraw/zinc/27/77/22/195277722.db2.gz SLHQMNPDXQZORC-QGZVFWFLSA-N 1 0 303.406 1.552 10 0 DDAERO COc1ccc(/C=C\C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000493652442 533246304 /nfs/dbraw/zinc/24/63/04/533246304.db2.gz NNRZUIBXLUWUTF-NDMUXOELSA-N 1 0 316.401 1.913 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)CN2CCOCC2)C12CCOCC2 ZINC000249011189 286291592 /nfs/dbraw/zinc/29/15/92/286291592.db2.gz ORKJDRJYLVXETG-BZUAXINKSA-N 1 0 312.454 1.271 10 0 DDAERO O=C(NC1CC1)[C@@H](c1ccc(F)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000170958728 407564991 /nfs/dbraw/zinc/56/49/91/407564991.db2.gz JPEYJTYLJIBQNC-IAGOWNOFSA-N 1 0 317.408 1.925 10 0 DDAERO C[C@H](Cc1nc2ccccc2s1)NC(=O)C1([NH3+])CCOCC1 ZINC000261649388 407569033 /nfs/dbraw/zinc/56/90/33/407569033.db2.gz AKOPTFPTIQOMKL-LLVKDONJSA-N 1 0 319.430 1.851 10 0 DDAERO O=C1CCCN1C[C@@H](O)C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000077177142 406980183 /nfs/dbraw/zinc/98/01/83/406980183.db2.gz ZFQJJSHMAOTXDS-RDJZCZTQSA-N 1 0 320.408 1.673 10 0 DDAERO C[C@H]1C[C@H]1NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000075978202 406948619 /nfs/dbraw/zinc/94/86/19/406948619.db2.gz ZXPHKKYPHVYBGA-DOTOQJQBSA-N 1 0 316.449 1.512 10 0 DDAERO CCCOc1nc(N)ncc1C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000033866692 406963270 /nfs/dbraw/zinc/96/32/70/406963270.db2.gz QBVKSPHVNUWFAT-NSHDSACASA-N 1 0 307.398 1.062 10 0 DDAERO C[C@@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)c1ccc(Cl)s1 ZINC000036991972 406985402 /nfs/dbraw/zinc/98/54/02/406985402.db2.gz ZMDCHYXHBPTSRI-MRVPVSSYSA-N 1 0 313.810 1.650 10 0 DDAERO Cc1ccc(CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1F ZINC000061955263 407230096 /nfs/dbraw/zinc/23/00/96/407230096.db2.gz VVRHHNDAQKYKDI-HNNXBMFYSA-N 1 0 323.412 1.780 10 0 DDAERO CCC(=O)N1CC[C@@H](C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)C1 ZINC000123072288 407318535 /nfs/dbraw/zinc/31/85/35/407318535.db2.gz BULDGWAIJCBAHN-CVEARBPZSA-N 1 0 317.433 1.664 10 0 DDAERO Cc1nccn1CCCC[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000122668190 407308063 /nfs/dbraw/zinc/30/80/63/407308063.db2.gz DVVPKSVEKGRKMO-INIZCTEOSA-N 1 0 303.410 1.569 10 0 DDAERO CCCC(=O)N[C@H]1CCCN([C@@H](C)C(=O)NCCC(C)C)C1 ZINC000101563865 407311250 /nfs/dbraw/zinc/31/12/50/407311250.db2.gz IXULVFCXMLPHTD-GJZGRUSLSA-N 1 0 311.470 1.918 10 0 DDAERO C[N@H+](CC(=O)N1CCCCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105802920 407355685 /nfs/dbraw/zinc/35/56/85/407355685.db2.gz JCTGITOSWNMPKZ-OAHLLOKOSA-N 1 0 317.437 1.390 10 0 DDAERO COc1cccc([C@H](CNC(=O)[C@@H]2CC[C@H](C)O2)[NH+](C)C)c1 ZINC000124581668 407362756 /nfs/dbraw/zinc/36/27/56/407362756.db2.gz WPNGDFOLUSAUIV-RCBQFDQVSA-N 1 0 306.406 1.982 10 0 DDAERO COC(=O)[C@H](C)CN(C)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C 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C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C)Cc1ccccc1F ZINC000113267538 407484017 /nfs/dbraw/zinc/48/40/17/407484017.db2.gz MQVZVDPMRJTYDA-GDBMZVCRSA-N 1 0 319.424 1.953 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCNS(=O)(=O)c1ccccc1 ZINC000113270237 407484712 /nfs/dbraw/zinc/48/47/12/407484712.db2.gz OAHFYJBCNZDEDW-LSDHHAIUSA-N 1 0 323.462 1.133 10 0 DDAERO CCCC(=O)N1CCC[C@@H](C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000195336247 407452355 /nfs/dbraw/zinc/45/23/55/407452355.db2.gz FTLYLGNSNCJIHD-HUUCEWRRSA-N 1 0 307.438 1.332 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccnc1N(C)C ZINC000113591331 407519017 /nfs/dbraw/zinc/51/90/17/407519017.db2.gz IDZVVEYQKFHCNZ-DZGCQCFKSA-N 1 0 317.437 1.526 10 0 DDAERO C[NH+](C)[C@@H]1CCN(C(=O)CCc2nnc(-c3ccccc3)o2)C1 ZINC000170859065 407531129 /nfs/dbraw/zinc/53/11/29/407531129.db2.gz AFLWEDVCHMXQEH-CQSZACIVSA-N 1 0 314.389 1.832 10 0 DDAERO COc1ccc(C(=O)CCC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170864269 407538554 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312.454 1.210 10 0 DDAERO CC[C@@H](C)S(=O)(=O)C[C@H]([NH2+]C)c1ccc2c(c1)OCCO2 ZINC000081938582 192342139 /nfs/dbraw/zinc/34/21/39/192342139.db2.gz JJUGZVRIXSXRPV-YPMHNXCESA-N 1 0 313.419 1.932 10 0 DDAERO [NH3+][C@@H]1CCOC[C@@H]1S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000081935715 192342726 /nfs/dbraw/zinc/34/27/26/192342726.db2.gz GBLJCKKZOZOHPL-MNOVXSKESA-N 1 0 309.309 1.595 10 0 DDAERO NC(=O)[C@]([NH3+])(CSc1ncccc1Br)C1CC1 ZINC000079446939 185171942 /nfs/dbraw/zinc/17/19/42/185171942.db2.gz GKOJCXINVJZSRF-NSHDSACASA-N 1 0 316.224 1.529 10 0 DDAERO COc1ccc(N2N=[O+]C(=O)C2CNCc2ccccc2)cc1 ZINC000083251032 185221634 /nfs/dbraw/zinc/22/16/34/185221634.db2.gz KPLLICFCRKBWKU-UHFFFAOYSA-O 1 0 312.349 1.955 10 0 DDAERO CCC[C@H](C[NH3+])C(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000087525955 185227756 /nfs/dbraw/zinc/22/77/56/185227756.db2.gz JBDCUQYDJYCSAY-MGPQQGTHSA-N 1 0 300.468 1.875 10 0 DDAERO CC[C@H](C[NH3+])C(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000087521853 185227806 /nfs/dbraw/zinc/22/78/06/185227806.db2.gz SJNMVIJFMLTTJT-MRVPVSSYSA-N 1 0 306.334 1.606 10 0 DDAERO COC(=O)CCS(=O)(=O)C[C@H]([NH3+])c1c(C)cc(C)cc1C ZINC000081974397 192347542 /nfs/dbraw/zinc/34/75/42/192347542.db2.gz NROSKXURRAVYPL-ZDUSSCGKSA-N 1 0 313.419 1.590 10 0 DDAERO CCOC(=O)CS(=O)(=O)[C@@H]1CCCc2ccccc2[C@@H]1[NH3+] ZINC000081977457 192347802 /nfs/dbraw/zinc/34/78/02/192347802.db2.gz ANJWSWQWFMLCRH-HIFRSBDPSA-N 1 0 311.403 1.369 10 0 DDAERO COC1(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)CCOCC1 ZINC000154781221 539207067 /nfs/dbraw/zinc/20/70/67/539207067.db2.gz CBLJGHVPTXGKIK-INIZCTEOSA-N 1 0 320.433 1.471 10 0 DDAERO C[C@@H]1CN(CC(=O)Nc2cccc(Br)c2)CC[NH2+]1 ZINC000088060014 185238438 /nfs/dbraw/zinc/23/84/38/185238438.db2.gz QOPMKIBTZZKPMR-SNVBAGLBSA-N 1 0 312.211 1.681 10 0 DDAERO CCC(CC)N1C[C@H](C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)CC1=O ZINC000262031423 282192985 /nfs/dbraw/zinc/19/29/85/282192985.db2.gz PLGZBFWBGAKNBN-OCCSQVGLSA-N 1 0 309.454 1.609 10 0 DDAERO 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KQNRMONCSNRERB-MCIGGMRASA-N 1 0 308.344 1.944 10 0 DDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cnn(CC2CC2)c1 ZINC000246118959 539269615 /nfs/dbraw/zinc/26/96/15/539269615.db2.gz KFXCMNYPVIYYJI-WFASDCNBSA-N 1 0 303.410 1.994 10 0 DDAERO O=S1(=O)C=C[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000088853825 185267165 /nfs/dbraw/zinc/26/71/65/185267165.db2.gz FMUGGHNBIRLOGF-INIZCTEOSA-N 1 0 306.431 1.551 10 0 DDAERO Cc1ccccc1S(=O)(=O)N[C@@H](C[NH3+])Cc1ccccc1 ZINC000088716825 185263126 /nfs/dbraw/zinc/26/31/26/185263126.db2.gz GPFMUMRGTJZEFK-OAHLLOKOSA-N 1 0 304.415 1.843 10 0 DDAERO CCCN(CC[NH+](C)C)S(=O)(=O)c1cc(C)c(CO)s1 ZINC000088895187 185270034 /nfs/dbraw/zinc/27/00/34/185270034.db2.gz LMEACWZSQVLPRX-UHFFFAOYSA-N 1 0 320.480 1.511 10 0 DDAERO C[C@@H]([NH2+]CC(=O)NCCO[C@H]1CCCC[C@H]1C)[C@@H]1CCCO1 ZINC000248632283 539272259 /nfs/dbraw/zinc/27/22/59/539272259.db2.gz WUGUWCSNLHVBNF-WCVJEAGWSA-N 1 0 312.454 1.855 10 0 DDAERO CCCN(c1ccc(S(=O)(=O)NC(C)C)cc1)C1C[NH2+]C1 ZINC000090294075 185289948 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OKKOUDXLNPJABO-UHFFFAOYSA-N 1 0 301.456 1.477 10 0 DDAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1Sc1nnnn1C ZINC000092389642 185315720 /nfs/dbraw/zinc/31/57/20/185315720.db2.gz BHYKGIHRTVAYDY-QWHCGFSZSA-N 1 0 305.407 1.586 10 0 DDAERO CCc1nn(CCS(C)(=O)=O)c(CC)c1CC[NH2+]C1CC1 ZINC000092323484 185312250 /nfs/dbraw/zinc/31/22/50/185312250.db2.gz CIAPMQIILUPUJN-UHFFFAOYSA-N 1 0 313.467 1.347 10 0 DDAERO COCC[NH2+]CC(=O)Nc1cc(OC)c(OC)cc1Cl ZINC000092495476 185322234 /nfs/dbraw/zinc/32/22/34/185322234.db2.gz WRQWVROTKPFEPA-UHFFFAOYSA-N 1 0 302.758 1.532 10 0 DDAERO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(Cl)cc1N ZINC000092621906 185329697 /nfs/dbraw/zinc/32/96/97/185329697.db2.gz AEIFFULZWBKFTF-NSHDSACASA-N 1 0 317.842 1.637 10 0 DDAERO COc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)NS(C)(=O)=O)CC2 ZINC000092837427 185345254 /nfs/dbraw/zinc/34/52/54/185345254.db2.gz NSGFPEBRZYPFHT-AWEZNQCLSA-N 1 0 312.435 1.600 10 0 DDAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@H](SCCS(C)(=O)=O)C2 ZINC000092860034 185346785 /nfs/dbraw/zinc/34/67/85/185346785.db2.gz JUKKRYRJPVDKJL-CHWSQXEVSA-N 1 0 301.433 1.398 10 0 DDAERO Cn1c(CN2CCO[C@@H](C[NH+](C)C)C2)nnc1-c1ccccc1 ZINC000155353294 290692373 /nfs/dbraw/zinc/69/23/73/290692373.db2.gz XJVSVNIGTDEOOL-HNNXBMFYSA-N 1 0 315.421 1.245 10 0 DDAERO Cc1nn(C)c2ncc(C(=O)N3CC[C@H](C)C[C@H]3C[NH3+])cc12 ZINC000261817231 282286576 /nfs/dbraw/zinc/28/65/76/282286576.db2.gz NTOPFWWMLLPCSC-GWCFXTLKSA-N 1 0 301.394 1.476 10 0 DDAERO CC[C@H]([NH3+])Cc1cc(Br)ccc1OCC(=O)NC ZINC000037725446 190665083 /nfs/dbraw/zinc/66/50/83/190665083.db2.gz MLOBWOLDSQIJNY-NSHDSACASA-N 1 0 315.211 1.854 10 0 DDAERO CN(c1ncncc1Cl)C1CC[NH+](CCn2cccn2)CC1 ZINC000302688183 530038849 /nfs/dbraw/zinc/03/88/49/530038849.db2.gz YTDNMITVJHGGDH-UHFFFAOYSA-N 1 0 320.828 1.927 10 0 DDAERO O=C(N[C@H](CO)c1ccccc1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111247303 185564447 /nfs/dbraw/zinc/56/44/47/185564447.db2.gz YCRLXULOYOSDKD-YPMHNXCESA-N 1 0 302.296 1.378 10 0 DDAERO NS(=O)(=O)c1ccc(N[C@H]2c3ccccc3C[C@H]2[NH3+])cc1 ZINC000111377722 185590780 /nfs/dbraw/zinc/59/07/80/185590780.db2.gz XRABNOZGFPEAEP-CABCVRRESA-N 1 0 303.387 1.371 10 0 DDAERO CCC[NH2+][C@H](C)C1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000111714716 185629323 /nfs/dbraw/zinc/62/93/23/185629323.db2.gz OJVXOEVPFZXJFV-CYBMUJFWSA-N 1 0 318.483 1.595 10 0 DDAERO CC[NH2+]C[C@H]1CCCCN1S(=O)(=O)CCc1ccccn1 ZINC000111720166 185631150 /nfs/dbraw/zinc/63/11/50/185631150.db2.gz QVNLAKUARJJADI-OAHLLOKOSA-N 1 0 311.451 1.418 10 0 DDAERO Cc1ccc(S(=O)(=O)NCCCOC2CC[NH2+]CC2)cc1 ZINC000111791763 185637058 /nfs/dbraw/zinc/63/70/58/185637058.db2.gz KYQVZGXKDZJEQS-UHFFFAOYSA-N 1 0 312.435 1.432 10 0 DDAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cccc(O)c3)C2=O)n(C)n1 ZINC000080526236 192165035 /nfs/dbraw/zinc/16/50/35/192165035.db2.gz NIMREZIXSMAEMU-OAHLLOKOSA-N 1 0 314.389 1.719 10 0 DDAERO CCCNS(=O)(=O)c1ccccc1N1CC[C@H](C[NH2+]C)C1 ZINC000071148339 190936813 /nfs/dbraw/zinc/93/68/13/190936813.db2.gz MDJCFBHLNDCVEZ-CYBMUJFWSA-N 1 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HYRBRRWMZOBZNW-UHFFFAOYSA-N 1 0 303.410 1.049 10 0 DDAERO O[C@H]1COCC[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000623766554 366045825 /nfs/dbraw/zinc/04/58/25/366045825.db2.gz IGJPYJFXDIYSFB-NEPJUHHUSA-N 1 0 304.159 1.828 10 0 DDAERO C[C@H](C1CCN(C(=O)c2ccc(CO)o2)CC1)[NH+]1CCOCC1 ZINC000072469671 191176046 /nfs/dbraw/zinc/17/60/46/191176046.db2.gz SWSWBALZONATHY-CYBMUJFWSA-N 1 0 322.405 1.345 10 0 DDAERO CC[C@H]1CN(C(=O)c2cc3ccccn3c2)CC[N@@H+]1C[C@@H](C)O ZINC000173361785 198206309 /nfs/dbraw/zinc/20/63/09/198206309.db2.gz DYTBIZRJULEWLY-ZBFHGGJFSA-N 1 0 315.417 1.857 10 0 DDAERO CC[C@H](O)C[NH+]1CCN(CCC(=O)Nc2ccccc2C)CC1 ZINC000173451066 198216827 /nfs/dbraw/zinc/21/68/27/198216827.db2.gz LOCUFPXFIFRMEV-INIZCTEOSA-N 1 0 319.449 1.712 10 0 DDAERO C[C@H]([NH3+])[C@@H](O)c1ncc(Br)cc1Br ZINC000129035956 354078387 /nfs/dbraw/zinc/07/83/87/354078387.db2.gz ITJJMFNGAAADBP-RNHFCUEFSA-N 1 0 309.989 1.987 10 0 DDAERO O=C(NCc1ccc(OCC(F)(F)F)nc1)[C@H]1CCC[NH2+]C1 ZINC000164704277 354248057 /nfs/dbraw/zinc/24/80/57/354248057.db2.gz ULBLUCJPYUDNKH-NSHDSACASA-N 1 0 317.311 1.639 10 0 DDAERO CN([C@H]1CCC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1F ZINC000226465124 354320011 /nfs/dbraw/zinc/32/00/11/354320011.db2.gz HAGMIUQATQRIPD-NSHDSACASA-N 1 0 304.362 1.727 10 0 DDAERO CCCC(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262243465 354392020 /nfs/dbraw/zinc/39/20/20/354392020.db2.gz BXKPJYHHRZCUND-KKUMJFAQSA-N 1 0 309.454 1.659 10 0 DDAERO CC[C@@H]1CN([C@H](C)c2nc(C)cc(=O)[nH]2)CC[N@@H+]1CCOC ZINC000248779193 354371259 /nfs/dbraw/zinc/37/12/59/354371259.db2.gz UYDWPQFQAMUIOK-ZIAGYGMSSA-N 1 0 308.426 1.594 10 0 DDAERO C[N@H+](CC1CC1)C[C@@H]1CN(c2ccnc(C3CC3)n2)CCO1 ZINC000328633714 354554457 /nfs/dbraw/zinc/55/44/57/354554457.db2.gz MESFYTQAMOYSCV-OAHLLOKOSA-N 1 0 302.422 1.901 10 0 DDAERO C[S@](=O)C1(C[NH2+]C[C@H](O)COCc2ccco2)CCC1 ZINC000393705721 354647432 /nfs/dbraw/zinc/64/74/32/354647432.db2.gz KWOXJCVKZKWYQZ-YUNKPMOVSA-N 1 0 301.408 1.048 10 0 DDAERO CCOc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1F ZINC000074935269 191390532 /nfs/dbraw/zinc/39/05/32/191390532.db2.gz HJGIZTLOPZZTQL-UHFFFAOYSA-N 1 0 304.387 1.454 10 0 DDAERO CCC[C@H](C[NH3+])N1CCN(S(=O)(=O)CC(C)(C)C)CC1 ZINC000080186168 192010362 /nfs/dbraw/zinc/01/03/62/192010362.db2.gz XNVFJCPHZGFZEZ-CYBMUJFWSA-N 1 0 305.488 1.107 10 0 DDAERO NS(=O)(=O)[C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)[NH2+]C1 ZINC000080105973 192001421 /nfs/dbraw/zinc/00/14/21/192001421.db2.gz QQUJPBOMLGBRDY-WDEREUQCSA-N 1 0 308.325 1.787 10 0 DDAERO Cc1csc([C@@H](C)NS(=O)(=O)CC[C@H]2CCCC[NH2+]2)n1 ZINC000080315504 192022968 /nfs/dbraw/zinc/02/29/68/192022968.db2.gz RDUQIDGEZVGRFU-VXGBXAGGSA-N 1 0 317.480 1.964 10 0 DDAERO Cc1csc([C@H](C)NS(=O)(=O)C[C@H]2CCCC[NH2+]2)n1 ZINC000080315491 192023395 /nfs/dbraw/zinc/02/33/95/192023395.db2.gz YIJVBMKFNOHGDI-WDEREUQCSA-N 1 0 303.453 1.574 10 0 DDAERO Cc1csc([C@@H](C)NS(=O)(=O)c2ccc(C[NH3+])cc2)n1 ZINC000080315446 192023679 /nfs/dbraw/zinc/02/36/79/192023679.db2.gz YTVDOXMABWWKCS-SNVBAGLBSA-N 1 0 311.432 1.950 10 0 DDAERO C[C@H](O)[C@@H]([NH3+])CNC(=O)c1cc(F)ccc1Br ZINC000080698596 192183511 /nfs/dbraw/zinc/18/35/11/192183511.db2.gz HSSUUXKXZADCSF-WKEGUHRASA-N 1 0 305.147 1.026 10 0 DDAERO C[C@H](O)[C@@H]([NH3+])CNC(=O)c1ccc(Br)cc1Cl ZINC000080697996 192183546 /nfs/dbraw/zinc/18/35/46/192183546.db2.gz FXMPMNWGLJZATM-WKEGUHRASA-N 1 0 321.602 1.540 10 0 DDAERO C[C@H](O)[C@@H]([NH3+])CNC(=O)c1cc(Br)ccc1F ZINC000080699201 192183809 /nfs/dbraw/zinc/18/38/09/192183809.db2.gz QQMZUDSMGCYPOS-WKEGUHRASA-N 1 0 305.147 1.026 10 0 DDAERO FC(F)(F)c1nnc2n1CCN(CC[NH2+]C1CCCC1)C2 ZINC000081525927 192282484 /nfs/dbraw/zinc/28/24/84/192282484.db2.gz IJJFXYRJRFDZMR-UHFFFAOYSA-N 1 0 303.332 1.645 10 0 DDAERO CC[NH2+]C[C@@H](C(C)C)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081542794 192288058 /nfs/dbraw/zinc/28/80/58/192288058.db2.gz FAYDXCVMPZCYGH-JTQLQIEISA-N 1 0 305.348 1.747 10 0 DDAERO CC[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1CCS(C)(=O)=O ZINC000085530043 192514682 /nfs/dbraw/zinc/51/46/82/192514682.db2.gz PVIADCPYBQFPKO-CABCVRRESA-N 1 0 302.484 1.664 10 0 DDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1nc2c(cccc2C(=O)OC)[nH]1 ZINC000237023280 202125544 /nfs/dbraw/zinc/12/55/44/202125544.db2.gz YJWPPDQMRCXZAI-LDYMZIIASA-N 1 0 304.350 1.661 10 0 DDAERO CN(C)S(=O)(=O)c1ccc(C[NH2+]CC2CCOCC2)cc1 ZINC000237108235 202155765 /nfs/dbraw/zinc/15/57/65/202155765.db2.gz TXQHXIAZFSYUHJ-UHFFFAOYSA-N 1 0 312.435 1.453 10 0 DDAERO CCCCN(C)S(=O)(=O)c1c(C)nn(CCC[NH2+]C)c1C ZINC000088915577 192656897 /nfs/dbraw/zinc/65/68/97/192656897.db2.gz OTKDSZQRNYXLLZ-UHFFFAOYSA-N 1 0 316.471 1.530 10 0 DDAERO COc1ccc(S(=O)(=O)N(C)C)c(CC[NH2+]C(C)C)c1 ZINC000088927501 192659390 /nfs/dbraw/zinc/65/93/90/192659390.db2.gz OFFHURVHCKHETQ-UHFFFAOYSA-N 1 0 300.424 1.486 10 0 DDAERO [NH3+]CCOc1ccc(S(=O)(=O)N2CCCCCCC2)cc1 ZINC000088936345 192661706 /nfs/dbraw/zinc/66/17/06/192661706.db2.gz SYMNEAMRDMBPQQ-UHFFFAOYSA-N 1 0 312.435 1.979 10 0 DDAERO CC(C)[NH2+]CC1CCN(S(=O)(=O)N(C)C2CCCC2)CC1 ZINC000088943464 192663283 /nfs/dbraw/zinc/66/32/83/192663283.db2.gz XDLFHHWBHCGAAG-UHFFFAOYSA-N 1 0 317.499 1.816 10 0 DDAERO Cn1nccc1[C@H]1[C@H](CNC(=O)COCC2CC2)CCC[N@@H+]1C ZINC000347859461 283286317 /nfs/dbraw/zinc/28/63/17/283286317.db2.gz JNWKJQMNYFKHGB-WMLDXEAASA-N 1 0 320.437 1.346 10 0 DDAERO O=C(c1cccnc1OCC(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179451203 199038661 /nfs/dbraw/zinc/03/86/61/199038661.db2.gz DMMAHTVTXBJENC-NSHDSACASA-N 1 0 311.332 1.646 10 0 DDAERO COc1c(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c(C)nn1C ZINC000180128666 199119951 /nfs/dbraw/zinc/11/99/51/199119951.db2.gz QASIJOSXWCSHEC-CQSZACIVSA-N 1 0 303.410 1.907 10 0 DDAERO CN(CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000237295900 202221309 /nfs/dbraw/zinc/22/13/09/202221309.db2.gz FMVDBKPCTPDYIU-SJPCQFCGSA-N 1 0 301.434 1.860 10 0 DDAERO COc1ccccc1N1CCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000237300774 202223544 /nfs/dbraw/zinc/22/35/44/202223544.db2.gz ZITYDBSYIBLAIZ-ZIAGYGMSSA-N 1 0 303.406 1.471 10 0 DDAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc2c(c1)OCCO2 ZINC000180595350 199181462 /nfs/dbraw/zinc/18/14/62/199181462.db2.gz APESIOPSTZXTEJ-AAEUAGOBSA-N 1 0 300.362 1.715 10 0 DDAERO C[C@@H](CC(=O)NCC(=O)Nc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000237404793 202256568 /nfs/dbraw/zinc/25/65/68/202256568.db2.gz OCGVEQYOZYLPQK-LBPRGKRZSA-N 1 0 321.396 1.906 10 0 DDAERO COc1ccc(C(=O)N[C@H](C(=O)NCCCC[NH3+])C(C)C)cc1 ZINC000181059338 199247183 /nfs/dbraw/zinc/24/71/83/199247183.db2.gz WTNIJZAKIROESJ-HNNXBMFYSA-N 1 0 321.421 1.305 10 0 DDAERO CCN(c1ccc(C)cc1)S(=O)(=O)c1cnn(CC[NH3+])c1 ZINC000089015110 192699801 /nfs/dbraw/zinc/69/98/01/192699801.db2.gz UAAOLMPTBNKIGV-UHFFFAOYSA-N 1 0 308.407 1.365 10 0 DDAERO C[C@H]1CC[C@H](C)N(S(=O)(=O)N(C)CCC[NH2+]C2CC2)C1 ZINC000089050629 192721691 /nfs/dbraw/zinc/72/16/91/192721691.db2.gz WACMFJAFCOJZEM-STQMWFEESA-N 1 0 303.472 1.426 10 0 DDAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)CCC(F)(F)F ZINC000089049862 192720046 /nfs/dbraw/zinc/72/00/46/192720046.db2.gz 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308.470 1.991 10 0 DDAERO CCCOc1ccc(NC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000125307585 407384589 /nfs/dbraw/zinc/38/45/89/407384589.db2.gz JMCQGJVIXCYWBC-OAHLLOKOSA-N 1 0 307.394 1.928 10 0 DDAERO O[C@H](CN[C@@H](c1ncc[nH]1)c1ccccc1)C[NH+]1CCCCC1 ZINC000126141098 407406385 /nfs/dbraw/zinc/40/63/85/407406385.db2.gz IQUAHVYLTHAXMN-IAGOWNOFSA-N 1 0 314.433 1.936 10 0 DDAERO CCC[C@H](C(=O)N(C)Cc1ccc(C(=O)NC)cc1)[NH+](C)C ZINC000178642193 407525020 /nfs/dbraw/zinc/52/50/20/407525020.db2.gz BWYJRSFCNWOKNO-OAHLLOKOSA-N 1 0 305.422 1.735 10 0 DDAERO NC(=O)CC[C@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000114562789 407590722 /nfs/dbraw/zinc/59/07/22/407590722.db2.gz NVGLNZVPWDBSKJ-NVXWUHKLSA-N 1 0 320.433 1.542 10 0 DDAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)C1 ZINC000170873514 407541638 /nfs/dbraw/zinc/54/16/38/407541638.db2.gz AQWHUSWGGMRXSQ-LLVKDONJSA-N 1 0 303.815 1.201 10 0 DDAERO Cn1cnnc1-c1cccc(NC(=O)C2(C[NH3+])CCOCC2)c1 ZINC000261899940 407659465 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COC(=O)c1ccc(S(=O)(=O)NCC[C@@H](C)[NH3+])c(Cl)c1 ZINC000178912740 407652665 /nfs/dbraw/zinc/65/26/65/407652665.db2.gz UNMKOZYYXZTDMM-MRVPVSSYSA-N 1 0 320.798 1.142 10 0 DDAERO C[C@@H](NC(=O)C1(C[NH3+])CCOCC1)c1nc(C(C)(C)C)no1 ZINC000261896684 407659222 /nfs/dbraw/zinc/65/92/22/407659222.db2.gz HDYCXTVWDZNAMN-SNVBAGLBSA-N 1 0 310.398 1.300 10 0 DDAERO C[C@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)c1ccc(F)cc1F ZINC000261922702 407671197 /nfs/dbraw/zinc/67/11/97/407671197.db2.gz YXDRDTBTTSENLS-MEBBXXQBSA-N 1 0 312.360 1.938 10 0 DDAERO CC1CCC(N2C[C@@H](C(=O)N3CCCC[C@@H]3C[NH3+])CC2=O)CC1 ZINC000130858312 407710358 /nfs/dbraw/zinc/71/03/58/407710358.db2.gz OEGXNSARBOUDCN-BHDPWAOGSA-N 1 0 321.465 1.753 10 0 DDAERO COCCN(CC[NH+](C)C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000171582739 407711617 /nfs/dbraw/zinc/71/16/17/407711617.db2.gz KGOCJLHUPGRYLZ-HNNXBMFYSA-N 1 0 321.421 1.730 10 0 DDAERO Cc1nn(C)c(OCC(F)(F)F)c1CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000262034565 407720688 /nfs/dbraw/zinc/72/06/88/407720688.db2.gz OLFHMWYWMAYMRL-KWQFWETISA-N 1 0 306.332 1.449 10 0 DDAERO CCOc1c(F)cccc1C(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000152985589 407727627 /nfs/dbraw/zinc/72/76/27/407727627.db2.gz MUMVGEQLAWNLKQ-UONOGXRCSA-N 1 0 308.353 1.379 10 0 DDAERO C[C@@H](NC(=O)[C@H]([NH3+])C1CCOCC1)c1ccc(NC(N)=O)cc1 ZINC000262168585 407757157 /nfs/dbraw/zinc/75/71/57/407757157.db2.gz YLLJCOSZFNDLDX-QMTHXVAHSA-N 1 0 320.393 1.108 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(OCCOC)cc2)C1 ZINC000171808403 407773640 /nfs/dbraw/zinc/77/36/40/407773640.db2.gz JJSPMIOWZFZYNB-OAHLLOKOSA-N 1 0 306.406 1.926 10 0 DDAERO Cc1ccc(C(=O)CCC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000116798019 407780688 /nfs/dbraw/zinc/78/06/88/407780688.db2.gz GBKNOORXUFDQEB-INIZCTEOSA-N 1 0 318.417 1.747 10 0 DDAERO CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000236809408 407777541 /nfs/dbraw/zinc/77/75/41/407777541.db2.gz GPAUTLTYVAJREM-GJZGRUSLSA-N 1 0 324.469 1.404 10 0 DDAERO Cc1ccc(C)c(OCC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000116784259 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1.990 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCC1(OC)CCOCC1 ZINC000122021995 539180576 /nfs/dbraw/zinc/18/05/76/539180576.db2.gz LFVWOQDUEIYRQP-ZDUSSCGKSA-N 1 0 301.431 1.212 10 0 DDAERO CCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(NC(C)=O)cc1F ZINC000087404393 185223723 /nfs/dbraw/zinc/22/37/23/185223723.db2.gz PVERZOMDXIUFFD-LLVKDONJSA-N 1 0 317.386 1.190 10 0 DDAERO CCC[C@H](C[NH3+])NS(=O)(=O)c1c(C)cc(OC)cc1C ZINC000087404386 185223725 /nfs/dbraw/zinc/22/37/25/185223725.db2.gz NAMDBXWECBKAKX-GFCCVEGCSA-N 1 0 300.424 1.718 10 0 DDAERO Brc1csc(C[NH2+]CC[C@H]2COCCN2)c1 ZINC000087511054 185227427 /nfs/dbraw/zinc/22/74/27/185227427.db2.gz FQDXCXNUHINJEP-JTQLQIEISA-N 1 0 305.241 1.979 10 0 DDAERO CCCCN(C(=O)[C@H](C[NH3+])CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000087525066 185227679 /nfs/dbraw/zinc/22/76/79/185227679.db2.gz IENHGIYQYURCCO-QWHCGFSZSA-N 1 0 304.456 1.177 10 0 DDAERO CC(C)(C[NH3+])CCCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000087611307 185229318 /nfs/dbraw/zinc/22/93/18/185229318.db2.gz YBWMHHKHMYAPEP-UHFFFAOYSA-N 1 0 313.419 1.997 10 0 DDAERO CC(C)([NH3+])C(C)(C)CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000087630791 185229575 /nfs/dbraw/zinc/22/95/75/185229575.db2.gz HFKOCNXUKKMMCS-UHFFFAOYSA-N 1 0 305.348 1.876 10 0 DDAERO CC(C)([NH3+])C(C)(C)C(=O)Nc1ccccc1NS(C)(=O)=O ZINC000087627675 185229629 /nfs/dbraw/zinc/22/96/29/185229629.db2.gz ALPGSJWXQHPMDW-UHFFFAOYSA-N 1 0 313.423 1.760 10 0 DDAERO Nc1c[nH+]c2ccc(Br)cc2c1NC(CO)CO ZINC000087749998 185231451 /nfs/dbraw/zinc/23/14/51/185231451.db2.gz BYMHXRGMGLLELD-UHFFFAOYSA-N 1 0 312.167 1.345 10 0 DDAERO NNc1nc(Oc2cccc(CO)c2)c(Br)c[nH+]1 ZINC000087886011 185234449 /nfs/dbraw/zinc/23/44/49/185234449.db2.gz PKGGSZGYXKOYFC-UHFFFAOYSA-N 1 0 311.139 1.809 10 0 DDAERO CCC[NH2+][C@H](CS(=O)(=O)CC(=O)OCC)c1ccccc1 ZINC000081977205 192347535 /nfs/dbraw/zinc/34/75/35/192347535.db2.gz YXYMKEQFFPJQAO-CQSZACIVSA-N 1 0 313.419 1.705 10 0 DDAERO C[C@](CN)(CCc1ccc(OC(F)F)cc1)[NH2+]CCCO ZINC000087929857 185237535 /nfs/dbraw/zinc/23/75/35/185237535.db2.gz QVPAMMPJZDZUDY-OAHLLOKOSA-N 1 0 302.365 1.910 10 0 DDAERO O=S(=O)(NCc1cccc(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000088056112 185238476 /nfs/dbraw/zinc/23/84/76/185238476.db2.gz IRNOKHNGYZIABF-NSHDSACASA-N 1 0 308.325 1.487 10 0 DDAERO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc3nc(N)sc3c2)C1 ZINC000087847287 185233400 /nfs/dbraw/zinc/23/34/00/185233400.db2.gz OSFYOCLCTSDWQT-SNVBAGLBSA-N 1 0 304.419 1.950 10 0 DDAERO [NH3+][C@H](Cc1cc(F)ccc1Br)[C@@H]1COCCO1 ZINC000087857424 185233597 /nfs/dbraw/zinc/23/35/97/185233597.db2.gz MHDCGXYHODYZGT-NEPJUHHUSA-N 1 0 304.159 1.873 10 0 DDAERO [NH3+][C@@H](Cc1ccc(Br)cc1F)[C@H]1COCCO1 ZINC000087857285 185233610 /nfs/dbraw/zinc/23/36/10/185233610.db2.gz BRWBFGWIVCAILT-NWDGAFQWSA-N 1 0 304.159 1.873 10 0 DDAERO C[C@@H](CN1CCCC1)Nc1nc(NN)[nH+]cc1Br ZINC000087865396 185233862 /nfs/dbraw/zinc/23/38/62/185233862.db2.gz JAMGTTRZSPLJFF-QMMMGPOBSA-N 1 0 315.219 1.421 10 0 DDAERO NNc1nc(NCCC(F)(F)F)c(Br)c[nH+]1 ZINC000087876413 185234033 /nfs/dbraw/zinc/23/40/33/185234033.db2.gz ISTHXMBQHPDCNG-UHFFFAOYSA-N 1 0 300.082 1.889 10 0 DDAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cnn(CC2CC2)c1 ZINC000177819656 539231232 /nfs/dbraw/zinc/23/12/32/539231232.db2.gz DMFNNOYMSYBKEN-LBPRGKRZSA-N 1 0 321.425 1.078 10 0 DDAERO C[C@H]([NH2+]CC(=O)NCC1CCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000182198455 539239036 /nfs/dbraw/zinc/23/90/36/539239036.db2.gz MNAMRGRDSCIRMT-LBPRGKRZSA-N 1 0 324.446 1.657 10 0 DDAERO CCN[C@@](C)(C[C@@H](C)[NH+]1CCC(C(F)(F)F)CC1)C(N)=O ZINC000088435565 185250236 /nfs/dbraw/zinc/25/02/36/185250236.db2.gz PKZUVJKYJHJSLZ-MFKMUULPSA-N 1 0 309.376 1.893 10 0 DDAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOC[C@H]2C)o1 ZINC000088543810 185256928 /nfs/dbraw/zinc/25/69/28/185256928.db2.gz BHNBCPXCMFVCME-LLVKDONJSA-N 1 0 302.396 1.187 10 0 DDAERO C[NH2+][C@H](Cc1nc2ccccc2s1)[C@@H]1CCS(=O)(=O)C1 ZINC000088518769 185254728 /nfs/dbraw/zinc/25/47/28/185254728.db2.gz KECCUKVYNPOIDO-ZYHUDNBSSA-N 1 0 310.444 1.862 10 0 DDAERO C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000088539508 185255510 /nfs/dbraw/zinc/25/55/10/185255510.db2.gz WJAWRKCIRCLJFQ-JTQLQIEISA-N 1 0 312.366 1.787 10 0 DDAERO C[C@@H](CNS(=O)(=O)c1ccc(C=O)o1)C[NH+]1CCCC1 ZINC000088541595 185255668 /nfs/dbraw/zinc/25/56/68/185255668.db2.gz GJJUMNNSOUPSJF-NSHDSACASA-N 1 0 300.380 1.102 10 0 DDAERO CCOC[C@@H](C)NS(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000088543028 185256243 /nfs/dbraw/zinc/25/62/43/185256243.db2.gz TWMGXMPLSHRBHJ-LLVKDONJSA-N 1 0 318.439 1.871 10 0 DDAERO C[C@@H]1CCC[C@H](S(=O)(=O)[C@@H]2CC3(CC[C@@H]2[NH3+])OCCO3)C1 ZINC000081983320 192348770 /nfs/dbraw/zinc/34/87/70/192348770.db2.gz NAWCJXXDWUIZKU-ZOBORPQBSA-N 1 0 317.451 1.603 10 0 DDAERO Nc1c2cc3c(nc2sc1C(=O)N1CC[NH2+]CC1)CCC3 ZINC000088641210 185260709 /nfs/dbraw/zinc/26/07/09/185260709.db2.gz KNYZRMAPKVTVNP-UHFFFAOYSA-N 1 0 302.403 1.413 10 0 DDAERO Cc1cc(C)c2c(N)c(C(=O)N3CC[C@H](C[NH3+])C3)sc2n1 ZINC000088642738 185261326 /nfs/dbraw/zinc/26/13/26/185261326.db2.gz KLDYBCDLKUVEMO-SNVBAGLBSA-N 1 0 304.419 1.916 10 0 DDAERO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2CCCO2)cc1 ZINC000248561632 539272107 /nfs/dbraw/zinc/27/21/07/539272107.db2.gz CRNQOZDYNARXOA-VMGRFDJRSA-N 1 0 322.405 1.542 10 0 DDAERO Cc1cc(S(=O)(=O)N2CCC([NH+](C)C)CC2)sc1CO ZINC000088884004 185268509 /nfs/dbraw/zinc/26/85/09/185268509.db2.gz LQZDQRCYMNNVFL-UHFFFAOYSA-N 1 0 318.464 1.264 10 0 DDAERO CCC[C@H](CS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)[NH2+]C ZINC000081990896 192351861 /nfs/dbraw/zinc/35/18/61/192351861.db2.gz FJDVJOWBTFHXGX-LLVKDONJSA-N 1 0 319.448 1.252 10 0 DDAERO OC[C@@H](O)C[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000090282420 185289296 /nfs/dbraw/zinc/28/92/96/185289296.db2.gz NZSNTKNJZONIDW-OLZOCXBDSA-N 1 0 300.196 1.249 10 0 DDAERO CCN(C1C[NH2+]C1)S(=O)(=O)c1ccc(Cl)cc1OC ZINC000090291406 185289687 /nfs/dbraw/zinc/28/96/87/185289687.db2.gz YZKPZXNMBNAQOI-UHFFFAOYSA-N 1 0 304.799 1.331 10 0 DDAERO Brc1cc(CN2CC(N3CC[NH2+]CC3)C2)cs1 ZINC000090309384 185290515 /nfs/dbraw/zinc/29/05/15/185290515.db2.gz QEWSHXCNHGFJEK-UHFFFAOYSA-N 1 0 316.268 1.600 10 0 DDAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cc(Br)cn1C ZINC000090325068 185291043 /nfs/dbraw/zinc/29/10/43/185291043.db2.gz XIUOWNFFSWUCTE-FXPVBKGRSA-N 1 0 312.211 1.468 10 0 DDAERO COc1ccc(OC(F)F)c(NC(=O)[C@@H]2COC[C@@H]2[NH3+])c1 ZINC000090380370 185293673 /nfs/dbraw/zinc/29/36/73/185293673.db2.gz AYACOCIBZCRQOT-BDAKNGLRSA-N 1 0 302.277 1.209 10 0 DDAERO C[C@@]1(C(=O)Nc2ccccc2OC(F)(F)F)COC[C@@H]1[NH3+] ZINC000090580682 185304802 /nfs/dbraw/zinc/30/48/02/185304802.db2.gz PSBXFYHPWJPZAC-CMPLNLGQSA-N 1 0 304.268 1.888 10 0 DDAERO CCS(=O)(=O)CCn1nc(C)c([C@@H](C)C[NH2+]C2CC2)c1C ZINC000092323563 185312267 /nfs/dbraw/zinc/31/22/67/185312267.db2.gz LWKWKABLTBKPPN-NSHDSACASA-N 1 0 313.467 1.790 10 0 DDAERO Cc1nn(C)c(C)c1C[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000105801846 282259202 /nfs/dbraw/zinc/25/92/02/282259202.db2.gz JDSSCAOGBPILEA-UHFFFAOYSA-N 1 0 314.437 1.848 10 0 DDAERO CC[NH2+]Cc1cc(S(=O)(=O)NC2C(C)(C)C2(C)C)cn1C ZINC000092833219 185344801 /nfs/dbraw/zinc/34/48/01/185344801.db2.gz BGYUBVUSWGZJDE-UHFFFAOYSA-N 1 0 313.467 1.848 10 0 DDAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)CCS3)C1 ZINC000170859699 282263658 /nfs/dbraw/zinc/26/36/58/282263658.db2.gz QNLXZANYJHJXHF-LBPRGKRZSA-N 1 0 319.430 1.897 10 0 DDAERO COc1c(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c(C)nn1C ZINC000092814086 185343145 /nfs/dbraw/zinc/34/31/45/185343145.db2.gz ZNERYMOBBFZMLO-ZDUSSCGKSA-N 1 0 319.409 1.883 10 0 DDAERO CCOCc1ccc(CNC(=O)C[NH2+][C@@H](C)[C@H]2CCCO2)cc1 ZINC000183157097 199547538 /nfs/dbraw/zinc/54/75/38/199547538.db2.gz QATHMUHXWAPMGD-WMLDXEAASA-N 1 0 320.433 1.996 10 0 DDAERO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc(Cl)nc1 ZINC000067514233 190710063 /nfs/dbraw/zinc/71/00/63/190710063.db2.gz MZNRYXQOKAOFLI-STQMWFEESA-N 1 0 310.829 1.505 10 0 DDAERO CNS(=O)(=O)c1ccccc1Nc1ccc(CC[NH3+])cc1 ZINC000111375923 185590279 /nfs/dbraw/zinc/59/02/79/185590279.db2.gz WTOBWFXOLZFUEY-UHFFFAOYSA-N 1 0 305.403 1.840 10 0 DDAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ncccc1Br ZINC000231763249 201892651 /nfs/dbraw/zinc/89/26/51/201892651.db2.gz HYWIFLIWBUPRBN-JTQLQIEISA-N 1 0 312.211 1.868 10 0 DDAERO C[C@@H](C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1)[NH+]1CCCCCC1 ZINC000246878505 295752233 /nfs/dbraw/zinc/75/22/33/295752233.db2.gz GKMWVRUCXGKPDK-IKGGRYGDSA-N 1 0 323.481 1.430 10 0 DDAERO CC[C@@H](C)OCC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000162364546 290795051 /nfs/dbraw/zinc/79/50/51/290795051.db2.gz JBGRYSRGMFFLQJ-UONOGXRCSA-N 1 0 300.443 1.353 10 0 DDAERO O=C(c1cn[nH]c1[C@H]1CCCC[NH2+]1)N1CCOCC(F)(F)C1 ZINC000685942886 539566577 /nfs/dbraw/zinc/56/65/77/539566577.db2.gz SNGWCWPCOKBVGS-LLVKDONJSA-N 1 0 314.336 1.332 10 0 DDAERO Cc1nc(Cl)ccc1S(=O)(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000286950245 219240220 /nfs/dbraw/zinc/24/02/20/219240220.db2.gz QTVCITAEWYHAOV-NSHDSACASA-N 1 0 317.842 1.616 10 0 DDAERO CCC(=O)NCc1cc(Br)cc2c1OCC[NH2+]C2 ZINC000675070912 545670126 /nfs/dbraw/zinc/67/01/26/545670126.db2.gz UGBOJWCEFLQFKA-UHFFFAOYSA-N 1 0 313.195 1.957 10 0 DDAERO C[NH2+]CC[C@H]1CCCCN1S(=O)(=O)c1ccc(OC)cc1 ZINC000070192344 190869784 /nfs/dbraw/zinc/86/97/84/190869784.db2.gz WQJJGXZBZXWBNU-CYBMUJFWSA-N 1 0 312.435 1.848 10 0 DDAERO CC(C)[NH2+][C@@](CO)(CSc1nnc2ccccn21)C1CC1 ZINC000070520025 190903692 /nfs/dbraw/zinc/90/36/92/190903692.db2.gz SDRLWENZZMYWAG-HNNXBMFYSA-N 1 0 306.435 1.961 10 0 DDAERO [NH3+]C[C@H](c1ccncc1)n1cc(I)cn1 ZINC000070677208 190910532 /nfs/dbraw/zinc/91/05/32/190910532.db2.gz RZRNSLZKPJAEFS-SNVBAGLBSA-N 1 0 314.130 1.431 10 0 DDAERO O=S(=O)(NCCC[NH+]1CCCC1)c1cnccc1Cl ZINC000071203847 190940887 /nfs/dbraw/zinc/94/08/87/190940887.db2.gz GPFLBHIWNQAPIO-UHFFFAOYSA-N 1 0 303.815 1.499 10 0 DDAERO COC(=O)[C@H](c1ccccc1F)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000173334246 186177936 /nfs/dbraw/zinc/17/79/36/186177936.db2.gz RLNALUWIAAHCGI-ZENOOKHLSA-N 1 0 324.396 1.427 10 0 DDAERO C[NH+]1CCC(NC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)CC1 ZINC000189956677 186255284 /nfs/dbraw/zinc/25/52/84/186255284.db2.gz IXSXZXSVLVSAGR-ZFWWWQNUSA-N 1 0 323.462 1.560 10 0 DDAERO CCc1noc2ncc(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)cc12 ZINC000172304715 198076107 /nfs/dbraw/zinc/07/61/07/198076107.db2.gz JXQIZFYJVNHHDR-LBPRGKRZSA-N 1 0 318.377 1.188 10 0 DDAERO CC(=O)NCC1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000047773248 352511840 /nfs/dbraw/zinc/51/18/40/352511840.db2.gz KYKMXHOQSZKNRH-SFHVURJKSA-N 1 0 320.433 1.412 10 0 DDAERO CC[NH2+][C@H](C)c1cccc(S(=O)(=O)NCc2ncc[nH]2)c1 ZINC000080644798 192176844 /nfs/dbraw/zinc/17/68/44/192176844.db2.gz WVYISGQMSCRPRK-LLVKDONJSA-N 1 0 308.407 1.559 10 0 DDAERO CCCCCNC(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000174001111 198279266 /nfs/dbraw/zinc/27/92/66/198279266.db2.gz RDRIPVMEBVDDKF-ZDUSSCGKSA-N 1 0 320.441 1.977 10 0 DDAERO O=C(C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1)N1CCNC1=O ZINC000173963584 198274550 /nfs/dbraw/zinc/27/45/50/198274550.db2.gz DANUTQOGSZFILE-LSDHHAIUSA-N 1 0 317.389 1.126 10 0 DDAERO O=C(C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1)N1CCOCC1 ZINC000174383954 198328935 /nfs/dbraw/zinc/32/89/35/198328935.db2.gz OFKCELPQGRZTKA-SJORKVTESA-N 1 0 318.417 1.433 10 0 DDAERO CC[C@H](O)CN1CCN(C(=O)[C@@H](C)c2c(C)noc2C)CC1 ZINC000106397620 353939328 /nfs/dbraw/zinc/93/93/28/353939328.db2.gz OSUARDMWEGGIAF-FZMZJTMJSA-N 1 0 309.410 1.310 10 0 DDAERO CCOCC[N@@H+]1CCN(Cc2cccc3nccn32)C[C@H]1C ZINC000245838131 354354854 /nfs/dbraw/zinc/35/48/54/354354854.db2.gz IWAVQOCJXDSABV-OAHLLOKOSA-N 1 0 302.422 1.877 10 0 DDAERO CC(C)CNC(=O)N1CCC[C@@H](C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000236805586 202019081 /nfs/dbraw/zinc/01/90/81/202019081.db2.gz GPAUTLTYVAJREM-CABCVRRESA-N 1 0 324.469 1.404 10 0 DDAERO O=C(Nc1ccccc1)c1cn(CC[NH2+]Cc2ccco2)nn1 ZINC000299790372 354457631 /nfs/dbraw/zinc/45/76/31/354457631.db2.gz BOLUJGHQTRAMRC-UHFFFAOYSA-N 1 0 311.345 1.913 10 0 DDAERO C[C@@H]1CC([NH2+][C@H]2CCCN(c3ncc[nH]c3=O)C2)C[C@@H](C)O1 ZINC000328632277 354554398 /nfs/dbraw/zinc/55/43/98/354554398.db2.gz LHJULNKLTQXDPE-UPJWGTAASA-N 1 0 306.410 1.697 10 0 DDAERO CC[C@@H](SC)C(=O)N1CCO[C@H](C[N@H+](C)CC2CC2)C1 ZINC000328634099 354555351 /nfs/dbraw/zinc/55/53/51/354555351.db2.gz MMRHVWXAFPZUFC-ZIAGYGMSSA-N 1 0 300.468 1.697 10 0 DDAERO CC[C@@H](SC)C(=O)N1CCO[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000328634098 354555434 /nfs/dbraw/zinc/55/54/34/354555434.db2.gz MMRHVWXAFPZUFC-UONOGXRCSA-N 1 0 300.468 1.697 10 0 DDAERO CCN1CCN(C(=O)C[N@H+](CC)C2CC2)C[C@H]1c1nccn1C ZINC000328643354 354557975 /nfs/dbraw/zinc/55/79/75/354557975.db2.gz YURUDTONSMDRCS-HNNXBMFYSA-N 1 0 319.453 1.110 10 0 DDAERO CCC[C@H]([NH3+])C(=O)N1CCCN(c2nccc(OCC)n2)CC1 ZINC000236817576 202023753 /nfs/dbraw/zinc/02/37/53/202023753.db2.gz VYTDSIAANXVTLS-ZDUSSCGKSA-N 1 0 321.425 1.041 10 0 DDAERO CCc1c(C)nc(-n2nc(C)cc2C)nc1N1CC[NH2+]CC1 ZINC000073662881 191339496 /nfs/dbraw/zinc/33/94/96/191339496.db2.gz WWMAKJWGJDHIIN-UHFFFAOYSA-N 1 0 300.410 1.560 10 0 DDAERO CC(=O)N1CCC(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000074911840 191385375 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[NH3+][C@@H]1CCCCC[C@H]1N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081533634 192284545 /nfs/dbraw/zinc/28/45/45/192284545.db2.gz MCQPBICQOMBEAO-NXEZZACHSA-N 1 0 303.332 1.773 10 0 DDAERO CC(C)[C@@H]([NH3+])CNc1ncncc1I ZINC000085467010 192509797 /nfs/dbraw/zinc/50/97/97/192509797.db2.gz GUEYYRMGVWYWEV-QMMMGPOBSA-N 1 0 306.151 1.476 10 0 DDAERO CCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000236898977 202059227 /nfs/dbraw/zinc/05/92/27/202059227.db2.gz GPFHEVQMCMJRLC-BFHYXJOUSA-N 1 0 304.390 1.802 10 0 DDAERO C[NH2+][C@@H]1CC[C@H](S(=O)(=O)c2ccc3c(c2)OCCO3)[C@@H]1C ZINC000086041187 192546235 /nfs/dbraw/zinc/54/62/35/192546235.db2.gz NPVXJJBWEBAFPP-HCKVZZMMSA-N 1 0 311.403 1.618 10 0 DDAERO COCC[S@](=O)Cc1cccc(NC(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC000237124907 202160385 /nfs/dbraw/zinc/16/03/85/202160385.db2.gz KPZYXAKHMNRNCB-NYHFZMIOSA-N 1 0 324.446 1.662 10 0 DDAERO COc1cc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])ccc1N1CCCC1=O ZINC000237148840 202167901 /nfs/dbraw/zinc/16/79/01/202167901.db2.gz QTWFTFUNURCKDR-CHWSQXEVSA-N 1 0 317.389 1.888 10 0 DDAERO CCC[NH2+]CCCn1cc(S(=O)(=O)N(C)C(C)C)cn1 ZINC000088916983 192656702 /nfs/dbraw/zinc/65/67/02/192656702.db2.gz WAWKYXYTJIDWHY-UHFFFAOYSA-N 1 0 302.444 1.302 10 0 DDAERO CC[C@@H]1CCCCN1S(=O)(=O)N(C)CCC[NH2+]C(C)C ZINC000088943276 192662768 /nfs/dbraw/zinc/66/27/68/192662768.db2.gz VQCKZRPYQXZDMT-CQSZACIVSA-N 1 0 305.488 1.816 10 0 DDAERO CC[NH2+]Cc1c[nH]nc1S(=O)(=O)N(CC(C)C)C1CC1 ZINC000089004399 192691614 /nfs/dbraw/zinc/69/16/14/192691614.db2.gz CUFQOOMTNIDXJV-UHFFFAOYSA-N 1 0 300.428 1.328 10 0 DDAERO COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1OC ZINC000180232484 199134449 /nfs/dbraw/zinc/13/44/49/199134449.db2.gz XCWLJEPBFNQYJI-ZBFHGGJFSA-N 1 0 320.433 1.856 10 0 DDAERO CC[NH2+]CCCN(C)S(=O)(=O)N(CCOC)C(CC)CC ZINC000089006708 192693896 /nfs/dbraw/zinc/69/38/96/192693896.db2.gz NMLLFTHIQNQPBV-UHFFFAOYSA-N 1 0 323.503 1.300 10 0 DDAERO C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)c1cccc(-n2ccnc2)c1 ZINC000180659850 199192853 /nfs/dbraw/zinc/19/28/53/199192853.db2.gz KIBFORAWDBCHOP-MNOVXSKESA-N 1 0 301.350 1.106 10 0 DDAERO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)NC(C)(C)CC(C)(C)C)C1 ZINC000089010345 192696785 /nfs/dbraw/zinc/69/67/85/192696785.db2.gz FGMYELCZFSEUNB-ZDUSSCGKSA-N 1 0 319.515 1.967 10 0 DDAERO CC[NH2+]C[C@H]1CCCCN1S(=O)(=O)NCC1(C)CCCC1 ZINC000089037817 192714277 /nfs/dbraw/zinc/71/42/77/192714277.db2.gz ZLNFRRIYEXVADN-CQSZACIVSA-N 1 0 317.499 1.865 10 0 DDAERO CC(C)NS(=O)(=O)c1ccc(N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089092192 192725572 /nfs/dbraw/zinc/72/55/72/192725572.db2.gz VNYSSAWTAMEQIC-SWLSCSKDSA-N 1 0 311.451 1.913 10 0 DDAERO CC(C)(C)[NH2+]CCn1nnnc1S[C@H]1CCCCC[C@H]1O ZINC000089690760 192843612 /nfs/dbraw/zinc/84/36/12/192843612.db2.gz KIHFJLMUJLAIIO-NEPJUHHUSA-N 1 0 313.471 1.847 10 0 DDAERO COC(=O)C[C@H](NC(=O)c1coc(C[NH3+])c1)c1ccccc1 ZINC000187279859 200087882 /nfs/dbraw/zinc/08/78/82/200087882.db2.gz MCTWNVDCSGRKJD-AWEZNQCLSA-N 1 0 302.330 1.773 10 0 DDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccn(CCOC)n1 ZINC000187806515 200159698 /nfs/dbraw/zinc/15/96/98/200159698.db2.gz FZVREZZTYLTDIY-UONOGXRCSA-N 1 0 306.410 1.228 10 0 DDAERO [NH3+]C1(C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)CCCC1 ZINC000237807338 202359728 /nfs/dbraw/zinc/35/97/28/202359728.db2.gz YJHAGIDOSXSDLG-UHFFFAOYSA-N 1 0 318.345 1.893 10 0 DDAERO [NH3+][C@H]1CC[C@H](C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)C1 ZINC000237888334 202380625 /nfs/dbraw/zinc/38/06/25/202380625.db2.gz JKWUDCXZDMTKMR-HOTGVXAUSA-N 1 0 321.465 1.755 10 0 DDAERO CC[C@@H](C[NH2+]C(C)(C)C)N1CCSC[C@@H]1S(C)(=O)=O ZINC000090924139 192948772 /nfs/dbraw/zinc/94/87/72/192948772.db2.gz YFLHIDFUPOIUBD-RYUDHWBXSA-N 1 0 308.513 1.573 10 0 DDAERO CCOC(=O)[C@@H]1CCCCN1C(=O)C[C@H]1CSCC[NH2+]1 ZINC000091136934 193003069 /nfs/dbraw/zinc/00/30/69/193003069.db2.gz HXTXUXGKDVQZEQ-RYUDHWBXSA-N 1 0 300.424 1.026 10 0 DDAERO O=C(C[C@@H]1C[NH2+]CCO1)Nc1ncccc1Br ZINC000091313177 193038235 /nfs/dbraw/zinc/03/82/35/193038235.db2.gz KFGBJZNXWZQUMT-MRVPVSSYSA-N 1 0 300.156 1.161 10 0 DDAERO CCNC(=O)C[C@H](C[NH3+])Nc1cccc(Br)c1 ZINC000091316656 193038905 /nfs/dbraw/zinc/03/89/05/193038905.db2.gz RKXVPOJAWUOJTA-LLVKDONJSA-N 1 0 300.200 1.715 10 0 DDAERO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2c(N)cccc2F)C1 ZINC000091392795 193050605 /nfs/dbraw/zinc/05/06/05/193050605.db2.gz WPHMIPRSMIBVTC-SNVBAGLBSA-N 1 0 301.387 1.123 10 0 DDAERO Cc1ccc(N)c(C)c1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091395470 193050997 /nfs/dbraw/zinc/05/09/97/193050997.db2.gz DWAZSMPOXOHLIZ-CYBMUJFWSA-N 1 0 311.451 1.600 10 0 DDAERO CC[C@](C)([C@@H]([NH3+])Cc1c(Cl)c(C)nn1C)N1CCOCC1 ZINC000091611688 193079808 /nfs/dbraw/zinc/07/98/08/193079808.db2.gz CFZXNRCQKUNCKF-DZGCQCFKSA-N 1 0 314.861 1.753 10 0 DDAERO COCC[NH2+]C[C@H](O)Cc1cc(Br)ccc1OC ZINC000091469534 193060363 /nfs/dbraw/zinc/06/03/63/193060363.db2.gz AFCXCWKMWHNBJG-GFCCVEGCSA-N 1 0 318.211 1.597 10 0 DDAERO CCc1nn(C)c(CC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1Cl ZINC000091714164 193095982 /nfs/dbraw/zinc/09/59/82/193095982.db2.gz NEVSVKKHFGNZRD-YGRLFVJLSA-N 1 0 311.813 1.611 10 0 DDAERO CCC[NH2+][C@H](CCCS(C)(=O)=O)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091722279 193097166 /nfs/dbraw/zinc/09/71/66/193097166.db2.gz OATCPXIDDJKCEP-RBSFLKMASA-N 1 0 318.483 1.043 10 0 DDAERO C[C@H]([NH3+])[C@@H](c1ccccc1Cl)N1CCN2C(=O)NC[C@@H]2C1 ZINC000091751892 193101960 /nfs/dbraw/zinc/10/19/60/193101960.db2.gz AOGHJAFYSBVDQF-WDMOLILDSA-N 1 0 308.813 1.438 10 0 DDAERO [NH3+]CC[C@H](O)c1cc(Br)c2c(c1)OCCCO2 ZINC000091913342 193126209 /nfs/dbraw/zinc/12/62/09/193126209.db2.gz BUIRAFHNAJPZLD-JTQLQIEISA-N 1 0 302.168 1.993 10 0 DDAERO Cc1ccc(OCC(=O)NCC(F)(F)F)c(C[C@H](C)[NH3+])n1 ZINC000092000319 193139327 /nfs/dbraw/zinc/13/93/27/193139327.db2.gz XHHWOXQHJVJPII-QMMMGPOBSA-N 1 0 305.300 1.337 10 0 DDAERO CCN1CCO[C@H](CN(CC(F)(F)F)C2CC[NH2+]CC2)C1 ZINC000092080287 193154479 /nfs/dbraw/zinc/15/44/79/193154479.db2.gz LRNLHDDXGOLPFZ-ZDUSSCGKSA-N 1 0 309.376 1.323 10 0 DDAERO Cc1c(F)cc(C[NH3+])cc1S(=O)(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000092113896 193161424 /nfs/dbraw/zinc/16/14/24/193161424.db2.gz PQOXNYPSBNYHEL-NXEZZACHSA-N 1 0 300.399 1.869 10 0 DDAERO COc1ccc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)c(CC[NH3+])c1 ZINC000092113814 193161732 /nfs/dbraw/zinc/16/17/32/193161732.db2.gz AOUSDIRBOSMCKJ-TXEJJXNPSA-N 1 0 312.435 1.473 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCC(OC)CC2)c(F)c1 ZINC000092115661 193163130 /nfs/dbraw/zinc/16/31/30/193163130.db2.gz RTXMZNGQXUSPGD-UHFFFAOYSA-N 1 0 316.398 1.345 10 0 DDAERO CCS(=O)(=O)Nc1ccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092204293 193173241 /nfs/dbraw/zinc/17/32/41/193173241.db2.gz LENUBZJZMSZZCD-WDEREUQCSA-N 1 0 309.391 1.290 10 0 DDAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000249836931 202815947 /nfs/dbraw/zinc/81/59/47/202815947.db2.gz FNMQDBSHLVMJQV-MBNYWOFBSA-N 1 0 304.394 1.311 10 0 DDAERO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)O1 ZINC000261756122 203109535 /nfs/dbraw/zinc/10/95/35/203109535.db2.gz LLUMXSSNALFTIH-IKGGRYGDSA-N 1 0 318.417 1.465 10 0 DDAERO COCC[NH2+]C[C@H](CCS(C)(=O)=O)c1ccc(F)cc1 ZINC000093148028 193208588 /nfs/dbraw/zinc/20/85/88/193208588.db2.gz UCEHTDZJQVWKJY-ZDUSSCGKSA-N 1 0 303.399 1.580 10 0 DDAERO O=S1(=O)CC[C@H](C2(Cc3ccc(F)cc3F)C[NH2+]C2)C1 ZINC000093195404 193214445 /nfs/dbraw/zinc/21/44/45/193214445.db2.gz DLRRSWDDEWDFBH-NSHDSACASA-N 1 0 301.358 1.532 10 0 DDAERO COc1ccc(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c(C(F)(F)F)c1 ZINC000262537961 203322893 /nfs/dbraw/zinc/32/28/93/203322893.db2.gz QOIMEXPROQONDC-SKDRFNHKSA-N 1 0 318.295 1.053 10 0 DDAERO COCCOCC[NH2+][C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000093208079 193216474 /nfs/dbraw/zinc/21/64/74/193216474.db2.gz HHEXLWSCMNXZCC-QWHCGFSZSA-N 1 0 302.415 1.685 10 0 DDAERO CS(=O)(=O)Nc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)ccc1F ZINC000093213451 193217064 /nfs/dbraw/zinc/21/70/64/193217064.db2.gz NPVCZYBEENCDTN-VHSXEESVSA-N 1 0 301.387 1.879 10 0 DDAERO CS(=O)(=O)c1ccc(NC(=O)C2CCC(C[NH3+])CC2)cc1 ZINC000093424766 193249370 /nfs/dbraw/zinc/24/93/70/193249370.db2.gz LWQSGXRXIKZBJH-UHFFFAOYSA-N 1 0 310.419 1.794 10 0 DDAERO Cc1ccc(S(N)(=O)=O)cc1N[C@@H](C)C[C@@H]1CCCC[NH2+]1 ZINC000093485858 193257940 /nfs/dbraw/zinc/25/79/40/193257940.db2.gz SYXLAEVAANOYHW-STQMWFEESA-N 1 0 311.451 1.975 10 0 DDAERO Cc1cc(S(N)(=O)=O)cc(N[C@H](C)C[C@H]2CCC[NH2+]2)c1C ZINC000093463486 193254731 /nfs/dbraw/zinc/25/47/31/193254731.db2.gz LBVADKITJWSTEG-DGCLKSJQSA-N 1 0 311.451 1.893 10 0 DDAERO CNS(=O)(=O)c1cc(N[C@@H](C)C[C@@H]2CCC[NH2+]2)ccc1C ZINC000093464001 193255885 /nfs/dbraw/zinc/25/58/85/193255885.db2.gz SQRNWAACRBQVHH-STQMWFEESA-N 1 0 311.451 1.846 10 0 DDAERO COCCN1C(=[NH2+])NC[C@@H]1c1ccc(F)c(Br)c1 ZINC000093380534 193241136 /nfs/dbraw/zinc/24/11/36/193241136.db2.gz LDCUOYQTHXZFDM-LLVKDONJSA-N 1 0 316.174 1.906 10 0 DDAERO CS(=O)(=O)[C@@H]1CCC[C@@]12C[NH+]=C(N)N2Cc1cccs1 ZINC000093392926 193243021 /nfs/dbraw/zinc/24/30/21/193243021.db2.gz 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193291093 /nfs/dbraw/zinc/29/10/93/193291093.db2.gz TZIDFBUPRBXFNC-MCIONIFRSA-N 1 0 304.456 1.192 10 0 DDAERO COc1cccc([C@H]([NH3+])C[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000093699781 193294347 /nfs/dbraw/zinc/29/43/47/193294347.db2.gz PWUNYCLSIIHOQG-IUODEOHRSA-N 1 0 312.435 1.757 10 0 DDAERO CCOC(OCC)[C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)[NH2+]C ZINC000093700846 193294675 /nfs/dbraw/zinc/29/46/75/193294675.db2.gz YXPYQXCVBLWULZ-OLZOCXBDSA-N 1 0 322.471 1.035 10 0 DDAERO CC[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCOC1 ZINC000093700558 193294838 /nfs/dbraw/zinc/29/48/38/193294838.db2.gz SOTGGXQQEFUVOB-MGPQQGTHSA-N 1 0 304.456 1.063 10 0 DDAERO CCC[C@@H](C[NH2+]CCOC)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701574 193294936 /nfs/dbraw/zinc/29/49/36/193294936.db2.gz YDNJYVJADPNLCJ-HUUCEWRRSA-N 1 0 320.499 1.700 10 0 DDAERO NC(=O)[C@@]1([NH3+])CCC[C@@H](Sc2ncnc3ccccc32)C1 ZINC000093778568 193305824 /nfs/dbraw/zinc/30/58/24/193305824.db2.gz VYPIYQUMODWXOB-MEBBXXQBSA-N 1 0 302.403 1.847 10 0 DDAERO CCC[NH2+][C@@]1(CO)CCC[C@@H](SCCS(C)(=O)=O)C1 ZINC000093785992 193307979 /nfs/dbraw/zinc/30/79/79/193307979.db2.gz AOVPKRRGBQIXRS-OLZOCXBDSA-N 1 0 309.497 1.438 10 0 DDAERO CC(C)OCCS(=O)(=O)NC1(C(N)=[NH2+])CCC(C)CC1 ZINC000093667824 193287745 /nfs/dbraw/zinc/28/77/45/193287745.db2.gz DPJHSURJBPOYQS-UHFFFAOYSA-N 1 0 305.444 1.216 10 0 DDAERO CN(CC1CC[NH2+]CC1)C(=O)c1cc(Br)c[nH]1 ZINC000094022072 193339563 /nfs/dbraw/zinc/33/95/63/193339563.db2.gz DZISCBGUKXTNSM-UHFFFAOYSA-N 1 0 300.200 1.849 10 0 DDAERO CC[NH2+][C@@]1(C(N)=O)CC[C@H](N2CCC(C(F)(F)F)CC2)C1 ZINC000093831909 193314304 /nfs/dbraw/zinc/31/43/04/193314304.db2.gz HKVFLANDKKBBOV-AAEUAGOBSA-N 1 0 307.360 1.647 10 0 DDAERO CCN(CC1CC[NH2+]CC1)S(=O)(=O)c1c(F)cccc1F ZINC000094023858 193339078 /nfs/dbraw/zinc/33/90/78/193339078.db2.gz MHUAURBWJICSJH-UHFFFAOYSA-N 1 0 318.389 1.975 10 0 DDAERO CCN(CC1CC[NH2+]CC1)S(=O)(=O)CCc1ccccc1 ZINC000094023914 193339251 /nfs/dbraw/zinc/33/92/51/193339251.db2.gz LSZCIJXVDHLJDP-UHFFFAOYSA-N 1 0 310.463 1.880 10 0 DDAERO CCNS(=O)(=O)c1ccccc1NC(=O)CC1([NH3+])CCC1 ZINC000094293983 193356863 /nfs/dbraw/zinc/35/68/63/193356863.db2.gz VPGVTQFABRBEQB-UHFFFAOYSA-N 1 0 311.407 1.195 10 0 DDAERO CC[C@@H]([NH3+])[C@@H](c1ccc(F)cc1)N(C)CCS(C)(=O)=O ZINC000094297414 193356923 /nfs/dbraw/zinc/35/69/23/193356923.db2.gz OQLYOWYCIRKTGV-ZIAGYGMSSA-N 1 0 302.415 1.581 10 0 DDAERO NC(=[NH2+])c1ccc(C(F)(F)F)nc1N1CCCC[C@@H]1CO ZINC000094336696 193360983 /nfs/dbraw/zinc/36/09/83/193360983.db2.gz SOQUDKLOWVMLSH-MRVPVSSYSA-N 1 0 302.300 1.736 10 0 DDAERO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(N)cc(F)c1C ZINC000094360406 193365684 /nfs/dbraw/zinc/36/56/84/193365684.db2.gz XKUXMARQIRTABL-SNVBAGLBSA-N 1 0 317.430 1.725 10 0 DDAERO CC[C@H]([NH3+])Cc1cc(F)c(OCCS(C)(=O)=O)c(F)c1 ZINC000094350682 193364706 /nfs/dbraw/zinc/36/47/06/193364706.db2.gz BVNMAGIPQJBPGG-JTQLQIEISA-N 1 0 307.362 1.668 10 0 DDAERO CCS(=O)(=O)CCCOc1ccc(C[NH2+]C(C)C)nc1 ZINC000094210637 193349298 /nfs/dbraw/zinc/34/92/98/193349298.db2.gz 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ZINC000094607392 193384691 /nfs/dbraw/zinc/38/46/91/193384691.db2.gz FASBRLXWWVFFSS-WCBMZHEXSA-N 1 0 308.183 1.290 10 0 DDAERO Cc1ccsc1C[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000094880065 193403956 /nfs/dbraw/zinc/40/39/56/193403956.db2.gz OIZKSKMLMUNWEV-GFCCVEGCSA-N 1 0 302.465 1.818 10 0 DDAERO CN(CCS(C)(=O)=O)Cc1ccc(C[NH2+]C(C)(C)C)cn1 ZINC000094758979 193395797 /nfs/dbraw/zinc/39/57/97/193395797.db2.gz RTTKWQVVHWKORS-UHFFFAOYSA-N 1 0 313.467 1.446 10 0 DDAERO Cc1cc(F)c(N)cc1S(=O)(=O)NCC(C)(C)[NH+](C)C ZINC000094779552 193396949 /nfs/dbraw/zinc/39/69/49/193396949.db2.gz KIBZBFPBRVNSQF-UHFFFAOYSA-N 1 0 303.403 1.335 10 0 DDAERO Cc1cc(F)c(N)cc1S(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000094779673 193397466 /nfs/dbraw/zinc/39/74/66/193397466.db2.gz OAWJRVSYQKMAGG-JTQLQIEISA-N 1 0 301.387 1.041 10 0 DDAERO CCC1(CC)CCN(S(=O)(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000094815034 193399737 /nfs/dbraw/zinc/39/97/37/193399737.db2.gz AMBLBIZICUDPPF-CYBMUJFWSA-N 1 0 303.472 1.557 10 0 DDAERO O=C(OCc1ccccc1)N1CC([C@H](CCO)[NH2+]C2CC2)C1 ZINC000095078810 193418215 /nfs/dbraw/zinc/41/82/15/193418215.db2.gz MJWLBDLBEYORBQ-INIZCTEOSA-N 1 0 304.390 1.758 10 0 DDAERO Cn1nc(C[C@@H]([NH3+])C[C@H]2CCS(=O)(=O)C2)c2ccccc21 ZINC000097279269 193703261 /nfs/dbraw/zinc/70/32/61/193703261.db2.gz OAJSBCJNNHXJIU-NEPJUHHUSA-N 1 0 307.419 1.268 10 0 DDAERO CC[NH2+][C@H](COC(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000097309547 193706782 /nfs/dbraw/zinc/70/67/82/193706782.db2.gz FKEONBRYEYDYDS-KBPBESRZSA-N 1 0 306.472 1.451 10 0 DDAERO C[NH+](C)CCNC(=O)CSc1ccc(-c2ccccc2)nn1 ZINC000035305631 182768803 /nfs/dbraw/zinc/76/88/03/182768803.db2.gz YHEXYQRESCSVMJ-UHFFFAOYSA-N 1 0 316.430 1.914 10 0 DDAERO COCC[NH+]1[C@@H](C)CN(C(=O)Cc2ccc(F)cc2)C[C@@H]1C ZINC000036123444 182803954 /nfs/dbraw/zinc/80/39/54/182803954.db2.gz NIXCBLGXEVWWDY-KBPBESRZSA-N 1 0 308.397 1.936 10 0 DDAERO C[C@H](CCNC(=O)C1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000174452850 248366742 /nfs/dbraw/zinc/36/67/42/248366742.db2.gz MBMKMLILHQJDCO-GFCCVEGCSA-N 1 0 313.442 1.748 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cnn(CC(F)F)c2)C1 ZINC000174837501 248383827 /nfs/dbraw/zinc/38/38/27/248383827.db2.gz RUFHPTGNDIZFJC-SNVBAGLBSA-N 1 0 301.341 1.754 10 0 DDAERO COc1ccc(C)cc1[C@H](O)C[NH2+]CCCS(C)(=O)=O ZINC000038047991 182981198 /nfs/dbraw/zinc/98/11/98/182981198.db2.gz PPRMGBKLIPDQNB-CYBMUJFWSA-N 1 0 301.408 1.061 10 0 DDAERO COc1cc(C[NH2+]C(C)(C)C(N)=O)cc(Br)c1O ZINC000040673964 183116057 /nfs/dbraw/zinc/11/60/57/183116057.db2.gz UDAVZWWZCJHCHG-UHFFFAOYSA-N 1 0 317.183 1.517 10 0 DDAERO CC(C)C[C@H](CO)[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000040776700 183132342 /nfs/dbraw/zinc/13/23/42/183132342.db2.gz SIVGXPDQYLEHQP-HIFRSBDPSA-N 1 0 315.435 1.120 10 0 DDAERO CC(C)[C@H](CNS(=O)(=O)c1ccnc(Cl)c1)[NH+](C)C ZINC000040803608 183135853 /nfs/dbraw/zinc/13/58/53/183135853.db2.gz UMPJKPVXAJMSHX-NSHDSACASA-N 1 0 305.831 1.600 10 0 DDAERO COC(=O)c1c2c(sc1NC(=O)[C@@H]1CCC[NH2+]C1)CCC2 ZINC000040858819 183142951 /nfs/dbraw/zinc/14/29/51/183142951.db2.gz SSPQMFFDGUQKQO-SECBINFHSA-N 1 0 308.403 1.962 10 0 DDAERO C[C@@H](NC(=O)C1CC[NH2+]CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000040855688 183143191 /nfs/dbraw/zinc/14/31/91/183143191.db2.gz JMBOEBIHXRITOZ-LLVKDONJSA-N 1 0 310.419 1.267 10 0 DDAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1c(F)cc(F)cc1F ZINC000040749802 183128797 /nfs/dbraw/zinc/12/87/97/183128797.db2.gz WCWSDZRXJGJHRX-PBINXNQUSA-N 1 0 320.336 1.747 10 0 DDAERO CN1CCN(Nc2[nH+]cnc(NC3CCCCCC3)c2N)CC1 ZINC000040757037 183129899 /nfs/dbraw/zinc/12/98/99/183129899.db2.gz MXBLTTMTPVWBMK-UHFFFAOYSA-N 1 0 319.457 1.768 10 0 DDAERO COC(=O)COC[C@H]([NH3+])c1cc(OC)c(OC)cc1Cl ZINC000041072135 183163484 /nfs/dbraw/zinc/16/34/84/183163484.db2.gz XAWVEXJSLOCOLA-JTQLQIEISA-N 1 0 303.742 1.547 10 0 DDAERO C[C@H](NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)[C@H]1CCCO1 ZINC000041918877 183225395 /nfs/dbraw/zinc/22/53/95/183225395.db2.gz VBPDICMZUCRUFU-SWLSCSKDSA-N 1 0 319.405 1.370 10 0 DDAERO O=C1NC2(CN1CCOc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC000041599899 183207793 /nfs/dbraw/zinc/20/77/93/183207793.db2.gz IWDUIIQREQMSSY-UHFFFAOYSA-N 1 0 309.797 1.866 10 0 DDAERO CCC[N@H+](CCN(C)C)CC[C@](C)(NCC)C(=O)OCC ZINC000041675012 183215391 /nfs/dbraw/zinc/21/53/91/183215391.db2.gz CFINXQNAUQPBFZ-INIZCTEOSA-N 1 0 301.475 1.581 10 0 DDAERO C[C@H]([NH3+])Cc1cccc(Br)c1OCCC(N)=O ZINC000042412810 183267048 /nfs/dbraw/zinc/26/70/48/183267048.db2.gz CMMZYPNGZOLJQU-QMMMGPOBSA-N 1 0 301.184 1.593 10 0 DDAERO CN(Cc1ccccc1Br)S(=O)(=O)CC[NH3+] ZINC000042441255 183270336 /nfs/dbraw/zinc/27/03/36/183270336.db2.gz FXWXEIWWHPWCSU-UHFFFAOYSA-N 1 0 307.213 1.169 10 0 DDAERO COCCN(CC(C)C)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000042370691 183259856 /nfs/dbraw/zinc/25/98/56/183259856.db2.gz PPJONHNYSOEGLF-UHFFFAOYSA-N 1 0 314.451 1.580 10 0 DDAERO CC[NH2+]Cc1cc2c(cc1O[C@H]1CCS(=O)(=O)C1)OCO2 ZINC000042874630 183315779 /nfs/dbraw/zinc/31/57/79/183315779.db2.gz XAVJWKNISJVVAI-NSHDSACASA-N 1 0 313.375 1.091 10 0 DDAERO C[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CCS(=O)(=O)CC1 ZINC000042945289 183319536 /nfs/dbraw/zinc/31/95/36/183319536.db2.gz LKQQNAKNTOQYOL-GWCFXTLKSA-N 1 0 302.827 1.459 10 0 DDAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCN(CCO)CC1 ZINC000042945237 183319921 /nfs/dbraw/zinc/31/99/21/183319921.db2.gz AQHDRZRABOLWJN-HOTGVXAUSA-N 1 0 311.857 1.728 10 0 DDAERO CN(C)C(=O)CN(C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042953087 183321620 /nfs/dbraw/zinc/32/16/20/183321620.db2.gz KKBDVURGUCGPBV-LBPRGKRZSA-N 1 0 314.227 1.469 10 0 DDAERO C[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)N1CCS(=O)(=O)CC1 ZINC000043014577 183327854 /nfs/dbraw/zinc/32/78/54/183327854.db2.gz YKQRKWVWSLMIEV-GWCFXTLKSA-N 1 0 302.827 1.459 10 0 DDAERO C[C@H]([NH3+])[C@H](c1cccc(Br)c1)N1CCNC(=O)C1 ZINC000043019930 183328990 /nfs/dbraw/zinc/32/89/90/183328990.db2.gz YVGAJMRSPCBKAY-TVQRCGJNSA-N 1 0 312.211 1.269 10 0 DDAERO CN(C)C(C)(C)C[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000043411151 183359767 /nfs/dbraw/zinc/35/97/67/183359767.db2.gz SHKQLITYIBYYPG-CQSZACIVSA-N 1 0 314.451 1.053 10 0 DDAERO CC[NH2+][C@H](c1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300934 183352258 /nfs/dbraw/zinc/35/22/58/183352258.db2.gz CISRBRFYUFGJKN-IUODEOHRSA-N 1 0 313.419 1.789 10 0 DDAERO COc1ccc([C@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)cc1OC(F)F ZINC000043299977 183352538 /nfs/dbraw/zinc/35/25/38/183352538.db2.gz VMRICFVFNCHAPL-SKDRFNHKSA-N 1 0 321.345 1.731 10 0 DDAERO CC[NH2+][C@H](c1cccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000043300922 183352709 /nfs/dbraw/zinc/35/27/09/183352709.db2.gz NLLVYDHRCDIQAA-RISCZKNCSA-N 1 0 313.419 1.789 10 0 DDAERO CNC(=O)CN(C)[C@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091477 183336263 /nfs/dbraw/zinc/33/62/63/183336263.db2.gz MUPXDGJAGTVWDZ-RNCFNFMXSA-N 1 0 314.227 1.515 10 0 DDAERO C[NH2+]Cc1ccc(O[C@@H](C)C(=O)NCCOC)c(Cl)c1 ZINC000043478067 183365656 /nfs/dbraw/zinc/36/56/56/183365656.db2.gz TWHPTSQWXJNEIW-JTQLQIEISA-N 1 0 300.786 1.589 10 0 DDAERO C[C@H](C[C@H](C[NH3+])N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000043534858 183370138 /nfs/dbraw/zinc/37/01/38/183370138.db2.gz KZEOYPYPGUPSGR-FVQBIDKESA-N 1 0 310.463 1.626 10 0 DDAERO C[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(N)cc1F ZINC000043593103 183374593 /nfs/dbraw/zinc/37/45/93/183374593.db2.gz XITAEWRGMVTJLB-JTQLQIEISA-N 1 0 301.387 1.171 10 0 DDAERO C[NH+](C)C(C)(C)CNS(=O)(=O)c1ccc(N)cc1Cl ZINC000043411105 183359926 /nfs/dbraw/zinc/35/99/26/183359926.db2.gz YMGWWGCGPISGIY-UHFFFAOYSA-N 1 0 305.831 1.541 10 0 DDAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000043428306 183361748 /nfs/dbraw/zinc/36/17/48/183361748.db2.gz XHIWUWIWYFDCJS-MELADBBJSA-N 1 0 302.440 1.102 10 0 DDAERO C[NH2+][C@@H]1CCC2(C[C@H]1N(CC(F)(F)F)C1CC1)OCCO2 ZINC000043982679 183392032 /nfs/dbraw/zinc/39/20/32/183392032.db2.gz SHGKOEJDDXYPSV-VXGBXAGGSA-N 1 0 308.344 1.897 10 0 DDAERO Cn1cc(CCCNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cn1 ZINC000105232732 194087484 /nfs/dbraw/zinc/08/74/84/194087484.db2.gz VOBDYMSOFXOFEA-OAHLLOKOSA-N 1 0 305.426 1.232 10 0 DDAERO CCOc1ccc(N2C(=O)C[C@H](SC3=[NH+]CCN3)C2=O)cc1 ZINC000105532584 194109343 /nfs/dbraw/zinc/10/93/43/194109343.db2.gz MOHPGEIJCCZDFN-LBPRGKRZSA-N 1 0 319.386 1.410 10 0 DDAERO CCNC(=O)NC1(C(=O)N[C@H]2CCC[N@H+](CC)C2)CCCC1 ZINC000105807822 194133615 /nfs/dbraw/zinc/13/36/15/194133615.db2.gz HFSHLLVYJPSSNW-ZDUSSCGKSA-N 1 0 310.442 1.219 10 0 DDAERO CCc1nnc(CN(C)C2CC[NH+](CCn3cccn3)CC2)o1 ZINC000105863338 194150177 /nfs/dbraw/zinc/15/01/77/194150177.db2.gz NTYPFNRXCUWKQI-UHFFFAOYSA-N 1 0 318.425 1.425 10 0 DDAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1)CC2 ZINC000105872656 194152789 /nfs/dbraw/zinc/15/27/89/194152789.db2.gz LYEMWUPNKVHWRW-JSGCOSHPSA-N 1 0 313.405 1.772 10 0 DDAERO CCCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCc2nc(CC)nn2C1 ZINC000105873215 194153594 /nfs/dbraw/zinc/15/35/94/194153594.db2.gz WVBSAAPOTAIADP-CHWSQXEVSA-N 1 0 307.442 1.440 10 0 DDAERO COc1cccc(CNC(=O)[C@@H](C)[NH2+]CCn2cc(C)cn2)c1 ZINC000105881662 194156189 /nfs/dbraw/zinc/15/61/89/194156189.db2.gz NECGJIFWCJRBDL-CQSZACIVSA-N 1 0 316.405 1.495 10 0 DDAERO CCOCC[N@@H+]1CCN(C[C@H](O)COC(C)C)C[C@H]1CC ZINC000105903143 194166131 /nfs/dbraw/zinc/16/61/31/194166131.db2.gz ZAFQTCCCVZBYMC-CVEARBPZSA-N 1 0 302.459 1.205 10 0 DDAERO C[NH+](C)C[C@H]1CN(Cc2nc(Cc3ccccc3)no2)CCO1 ZINC000105924933 194170436 /nfs/dbraw/zinc/17/04/36/194170436.db2.gz XPDFUCOKCYVWHO-HNNXBMFYSA-N 1 0 316.405 1.423 10 0 DDAERO CCCN(C(CC)(CC)C[NH3+])S(=O)(=O)c1c[nH]nc1C ZINC000050093763 183772924 /nfs/dbraw/zinc/77/29/24/183772924.db2.gz WITBGJTXOBYRLV-UHFFFAOYSA-N 1 0 302.444 1.636 10 0 DDAERO C[C@H]1CCC[C@](C[NH3+])(N(C)S(=O)(=O)c2cncc(F)c2)C1 ZINC000050092942 183772613 /nfs/dbraw/zinc/77/26/13/183772613.db2.gz DKQHSPDQOCGAAH-FZMZJTMJSA-N 1 0 315.414 1.749 10 0 DDAERO O=C1NCCC[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000050395643 183784370 /nfs/dbraw/zinc/78/43/70/183784370.db2.gz CJRJQPIBHIVEJQ-GFCCVEGCSA-N 1 0 313.195 1.696 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN(CCOc2ccccc2)CC1 ZINC000109469075 194267241 /nfs/dbraw/zinc/26/72/41/194267241.db2.gz OXJXRHPLLXGRLN-OAHLLOKOSA-N 1 0 307.463 1.748 10 0 DDAERO CNC(=O)CCOc1c(Br)cccc1C[C@@H](C)[NH3+] ZINC000051762112 183835725 /nfs/dbraw/zinc/83/57/25/183835725.db2.gz SDGXALIZEPEDQO-SECBINFHSA-N 1 0 315.211 1.854 10 0 DDAERO CCOc1cc([C@H](C[NH3+])NCCOC)ccc1OC(F)F ZINC000053255686 183895818 /nfs/dbraw/zinc/89/58/18/183895818.db2.gz MGPILGRMQQPETP-NSHDSACASA-N 1 0 304.337 1.923 10 0 DDAERO [NH3+]C[C@@H]1CCCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000053663383 183909361 /nfs/dbraw/zinc/90/93/61/183909361.db2.gz PNKFBDLKCRXXNB-JTQLQIEISA-N 1 0 308.325 1.908 10 0 DDAERO CC(C)[NH2+]CCNS(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000054266845 183932521 /nfs/dbraw/zinc/93/25/21/183932521.db2.gz PJHOYTOUYLCHHS-UHFFFAOYSA-N 1 0 310.375 1.069 10 0 DDAERO CC(C)C1CCC(C[NH3+])(N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000054557061 183944692 /nfs/dbraw/zinc/94/46/92/183944692.db2.gz SDIQSMHTLYNVOL-SHARSMKWSA-N 1 0 302.484 1.649 10 0 DDAERO CCN(C(=O)c1cc(Br)c[nH]1)[C@H]1CCC[NH2+]C1 ZINC000110939600 194372444 /nfs/dbraw/zinc/37/24/44/194372444.db2.gz DTXLPIFYAIXUGC-JTQLQIEISA-N 1 0 300.200 1.991 10 0 DDAERO CC[NH2+][C@H](C)c1ccc(C)cc1O[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000110960761 194374526 /nfs/dbraw/zinc/37/45/26/194374526.db2.gz IWANOMPNWNQNHQ-OSAQELSMSA-N 1 0 313.419 1.202 10 0 DDAERO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1cccc(S(N)(=O)=O)c1 ZINC000054627307 183946653 /nfs/dbraw/zinc/94/66/53/183946653.db2.gz OAXPHEOVHVRMNP-QXMXGUDHSA-N 1 0 309.435 1.443 10 0 DDAERO C[C@@H]([NH3+])c1ccc(S(=O)(=O)N(C)C[C@@H]2CCCOC2)cc1 ZINC000111179541 194399334 /nfs/dbraw/zinc/39/93/34/194399334.db2.gz YIOQIBNRQHUNOB-OLZOCXBDSA-N 1 0 312.435 1.753 10 0 DDAERO O=S1(=O)CC[C@H]([NH2+]Cc2ccc(O)c(Br)c2)C1 ZINC000058055313 184072402 /nfs/dbraw/zinc/07/24/02/184072402.db2.gz JUOLXRIUFQMWFT-VIFPVBQESA-N 1 0 320.208 1.431 10 0 DDAERO O=S1(=O)CC[C@H]([NH2+]C[C@H](c2ccccc2)N2CCCC2)C1 ZINC000060059461 184143977 /nfs/dbraw/zinc/14/39/77/184143977.db2.gz XBDJAVLYTYMFDD-JKSUJKDBSA-N 1 0 308.447 1.600 10 0 DDAERO CC[NH2+]C[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000061232497 184166902 /nfs/dbraw/zinc/16/69/02/184166902.db2.gz AZOOFGQDAUYMOJ-NSHDSACASA-N 1 0 313.423 1.121 10 0 DDAERO CCN(CC)c1ncc(C[NH2+]CCN(C)CCOC)s1 ZINC000061376716 184169602 /nfs/dbraw/zinc/16/96/02/184169602.db2.gz BKCUYXGZGKIDAD-UHFFFAOYSA-N 1 0 300.472 1.657 10 0 DDAERO C[C@@H](C[NH+]1CCCC1)Nc1nc(Cl)nc(-n2cncn2)n1 ZINC000061539157 184172935 /nfs/dbraw/zinc/17/29/35/184172935.db2.gz OZLJVFWDHHWLFZ-VIFPVBQESA-N 1 0 308.777 1.002 10 0 DDAERO CN(c1nc(Cl)nc(-n2cccn2)n1)[C@@H]1CCC[N@H+](C)C1 ZINC000061542600 184174112 /nfs/dbraw/zinc/17/41/12/184174112.db2.gz XXWSUPJOLWQHCA-SNVBAGLBSA-N 1 0 307.789 1.241 10 0 DDAERO CCNc1ccccc1S(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061655953 184181141 /nfs/dbraw/zinc/18/11/41/184181141.db2.gz VFYDBDIJQKDLBQ-ZDUSSCGKSA-N 1 0 311.451 1.833 10 0 DDAERO NC(=[NH2+])c1ncccc1CSc1nnc2n1CCCCC2 ZINC000061658936 184181456 /nfs/dbraw/zinc/18/14/56/184181456.db2.gz JKLPJGLMGMBETO-UHFFFAOYSA-N 1 0 302.407 1.976 10 0 DDAERO Nc1cc(Cl)c(NC(=O)CC[N@@H+]2CC[C@@H](O)C2)c(Cl)c1 ZINC000061709656 184184994 /nfs/dbraw/zinc/18/49/94/184184994.db2.gz GNOQGCMCRPOLAN-SECBINFHSA-N 1 0 318.204 1.971 10 0 DDAERO C[C@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000061950886 184198488 /nfs/dbraw/zinc/19/84/88/184198488.db2.gz GGAULHWVRHBZMO-SRVKXCTJSA-N 1 0 307.360 1.456 10 0 DDAERO CNc1cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)ccn1 ZINC000062084406 184204885 /nfs/dbraw/zinc/20/48/85/184204885.db2.gz FDCDIFXIMNNRBD-LBPRGKRZSA-N 1 0 312.439 1.134 10 0 DDAERO CCC[NH2+][C@H]1CCCCC[C@H]1N1CCN(S(C)(=O)=O)CC1 ZINC000062083992 184205185 /nfs/dbraw/zinc/20/51/85/184205185.db2.gz AWHKMUPIYJGYBU-LSDHHAIUSA-N 1 0 317.499 1.265 10 0 DDAERO CC[C@@](C)(C[NH2+]CC(C)C)CN1CCN(S(C)(=O)=O)CC1 ZINC000062096221 184206126 /nfs/dbraw/zinc/20/61/26/184206126.db2.gz IOXHNYAPIDAYTP-HNNXBMFYSA-N 1 0 319.515 1.226 10 0 DDAERO CCC[NH2+][C@H]1CCCC[C@H]1CN1CCN(S(C)(=O)=O)CC1 ZINC000062096407 184206190 /nfs/dbraw/zinc/20/61/90/184206190.db2.gz IWZORHFNPFTHBL-GJZGRUSLSA-N 1 0 317.499 1.122 10 0 DDAERO O=C(CC[NH+]1CCCC1)N1CCN(C(=O)c2cccs2)CC1 ZINC000062127394 184207263 /nfs/dbraw/zinc/20/72/63/184207263.db2.gz MESNYPZDYNSUAI-UHFFFAOYSA-N 1 0 321.446 1.518 10 0 DDAERO CNS(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCCCCC1 ZINC000062364109 184233085 /nfs/dbraw/zinc/23/30/85/184233085.db2.gz SNQXRZRSAPGTRG-LBPRGKRZSA-N 1 0 317.480 1.719 10 0 DDAERO CC(C)(C)[NH2+]Cc1cccc(O[C@@H]2CS(=O)(=O)C[C@@H]2O)c1 ZINC000062731322 184251058 /nfs/dbraw/zinc/25/10/58/184251058.db2.gz XLWRJULMFRMCPQ-UONOGXRCSA-N 1 0 313.419 1.111 10 0 DDAERO COCC[NH2+]Cc1c(Cl)cccc1N(C)C[C@@H](O)COC ZINC000062737699 184252159 /nfs/dbraw/zinc/25/21/59/184252159.db2.gz TUAKRGWRUUJCHM-GFCCVEGCSA-N 1 0 316.829 1.520 10 0 DDAERO [NH3+]CCc1cc(Cl)ccc1OCC(=O)NC1CCOCC1 ZINC000062769255 184252990 /nfs/dbraw/zinc/25/29/90/184252990.db2.gz NRHPRRIAKUCCCO-UHFFFAOYSA-N 1 0 312.797 1.515 10 0 DDAERO CC[C@]1(C(=O)Nc2ccccc2S(=O)(=O)CC)CC[NH2+]C1 ZINC000062891582 184258377 /nfs/dbraw/zinc/25/83/77/184258377.db2.gz AJRFTZSHAXRXFT-HNNXBMFYSA-N 1 0 310.419 1.808 10 0 DDAERO O=S(=O)(NOCC[NH+]1CCCC1)c1ccc2c(c1)CCCC2 ZINC000062578382 184244460 /nfs/dbraw/zinc/24/44/60/184244460.db2.gz QESVXMDFZSVQSZ-UHFFFAOYSA-N 1 0 324.446 1.871 10 0 DDAERO C[C@H](C[NH2+]Cc1cccs1)N1CC[C@H](N2CCOCC2)C1 ZINC000062974840 184263580 /nfs/dbraw/zinc/26/35/80/184263580.db2.gz IMXFCTDYHCCBHE-CABCVRRESA-N 1 0 309.479 1.633 10 0 DDAERO CCCNc1ccccc1S(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062984592 184264916 /nfs/dbraw/zinc/26/49/16/184264916.db2.gz HALONOAMUXUHTD-ZDUSSCGKSA-N 1 0 311.451 1.833 10 0 DDAERO O=S1(=O)CC[C@@H](CNC2=[NH+][C@@H](c3ccccc3)CS2)C1 ZINC000063002918 184265403 /nfs/dbraw/zinc/26/54/03/184265403.db2.gz HHPIDOBIFPUSRF-WCQYABFASA-N 1 0 310.444 1.855 10 0 DDAERO CN(Cc1cccs1)Cc1nc2c(cnn2C)c(NN)[nH+]1 ZINC000063084039 184269784 /nfs/dbraw/zinc/26/97/84/184269784.db2.gz YWSCTFZBTZCGQC-UHFFFAOYSA-N 1 0 303.395 1.342 10 0 DDAERO C[C@]([NH3+])(CCCSc1ccc(S(C)(=O)=O)cc1)C(N)=O ZINC000063131826 184272215 /nfs/dbraw/zinc/27/22/15/184272215.db2.gz DADTZJXXGYOPCV-ZDUSSCGKSA-N 1 0 316.448 1.165 10 0 DDAERO COC[C@H](C)[NH2+]CCSc1ccc(S(C)(=O)=O)cc1 ZINC000063132086 184272734 /nfs/dbraw/zinc/27/27/34/184272734.db2.gz PMCDWHSNUADCKU-NSHDSACASA-N 1 0 303.449 1.807 10 0 DDAERO COCCCNC(=O)c1cccc(NC(=O)C[NH2+]C(C)C)c1 ZINC000066215583 184397425 /nfs/dbraw/zinc/39/74/25/184397425.db2.gz RSFKZTGDFYRJTC-UHFFFAOYSA-N 1 0 307.394 1.389 10 0 DDAERO COC(=O)C1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000114503276 194667936 /nfs/dbraw/zinc/66/79/36/194667936.db2.gz OETULZWNJXLANY-MRXNPFEDSA-N 1 0 307.390 1.449 10 0 DDAERO C[NH+](C)C[C@H]1CN(C(=O)NCc2cccc(Cl)c2)CCO1 ZINC000117023694 194792379 /nfs/dbraw/zinc/79/23/79/194792379.db2.gz RUJQXXCYVHFKBO-AWEZNQCLSA-N 1 0 311.813 1.812 10 0 DDAERO O=C(Nc1ccc(-n2cccn2)c(Cl)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000155428097 197053905 /nfs/dbraw/zinc/05/39/05/197053905.db2.gz WNOXYYBTDHQEOE-PWSUYJOCSA-N 1 0 306.753 1.187 10 0 DDAERO Cc1cc(C)cc(NC(=O)CN2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000155344518 197046578 /nfs/dbraw/zinc/04/65/78/197046578.db2.gz LXLOOTOVKDCATJ-INIZCTEOSA-N 1 0 305.422 1.504 10 0 DDAERO COc1cccc(OC)c1CC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000120752732 195231396 /nfs/dbraw/zinc/23/13/96/195231396.db2.gz NEJYVKUESSEIIC-ZDUSSCGKSA-N 1 0 322.405 1.035 10 0 DDAERO CCO[C@@H]1C[C@H]([N@H+](C)C[C@H](O)CN2CCCC2=O)C12CCC2 ZINC000120921146 195264038 /nfs/dbraw/zinc/26/40/38/195264038.db2.gz JDRJISOQXZQCCP-SOUVJXGZSA-N 1 0 310.438 1.249 10 0 DDAERO CCOCC(=O)N1Cc2ccnn2C[C@H](C[NH+](CC)CC)C1 ZINC000253611247 257104267 /nfs/dbraw/zinc/10/42/67/257104267.db2.gz MIJCUKIGATVIEZ-CQSZACIVSA-N 1 0 308.426 1.220 10 0 DDAERO O=C([C@@H]1C[C@@H]2OCC[C@@H]2[N@H+](Cc2cccnc2)C1)N1CCCC1 ZINC000253615499 257104550 /nfs/dbraw/zinc/10/45/50/257104550.db2.gz OEAWTVWOJWWFQZ-IKGGRYGDSA-N 1 0 315.417 1.683 10 0 DDAERO Nc1cc(I)ccc1NC1=[NH+]CCN1 ZINC000521401909 257234157 /nfs/dbraw/zinc/23/41/57/257234157.db2.gz RCGZSPNYNAVKSG-UHFFFAOYSA-N 1 0 302.119 1.245 10 0 DDAERO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc2nnnn2c1 ZINC000334162233 257262282 /nfs/dbraw/zinc/26/22/82/257262282.db2.gz QOXGZRZVWISVPL-TZMCWYRMSA-N 1 0 314.393 1.119 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)Nc1cc(Cl)ccc1Cl ZINC000414655237 224368338 /nfs/dbraw/zinc/36/83/38/224368338.db2.gz DDKMJGVTYNNBKZ-RDDDGLTNSA-N 1 0 304.177 1.695 10 0 DDAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)Nc1ccc(Br)cc1 ZINC000414673620 224370977 /nfs/dbraw/zinc/37/09/77/224370977.db2.gz OWYFNPFVNADTQR-KCJUWKMLSA-N 1 0 314.183 1.151 10 0 DDAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)/C=C\c2ccc[nH]2)CC1 ZINC000491982530 533661059 /nfs/dbraw/zinc/66/10/59/533661059.db2.gz YXKNHFZCWCWGOP-GEXIGZQTSA-N 1 0 305.422 1.579 10 0 DDAERO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N2CC(F)C2)cc1 ZINC000333659791 286363148 /nfs/dbraw/zinc/36/31/48/286363148.db2.gz LIQQVNGFUDOEAJ-LSDHHAIUSA-N 1 0 307.369 1.504 10 0 DDAERO 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O=C1OC2(CN1C[C@H]1COc3ccccc3O1)CC[NH2+]CC2 ZINC000095518378 185376702 /nfs/dbraw/zinc/37/67/02/185376702.db2.gz JRXRMAKBWQAOHF-LBPRGKRZSA-N 1 0 304.346 1.401 10 0 DDAERO [NH3+][C@@H]1CCC2(C[C@H]1Sc1ncnc3[nH]cnc31)OCCO2 ZINC000081876579 192332733 /nfs/dbraw/zinc/33/27/33/192332733.db2.gz CRHLKMUXVBJIOP-RKDXNWHRSA-N 1 0 307.379 1.068 10 0 DDAERO CC(C)n1c(S[C@H]2COc3ccccc3[C@@H]2[NH3+])n[nH]c1=O ZINC000081879469 192334233 /nfs/dbraw/zinc/33/42/33/192334233.db2.gz GNRUUCMAPWZBRL-RYUDHWBXSA-N 1 0 306.391 1.705 10 0 DDAERO CCn1c(=O)[nH]nc1S[C@@H]1CCc2ccccc2[C@H]1[NH2+]C ZINC000081879903 192334364 /nfs/dbraw/zinc/33/43/64/192334364.db2.gz VJJKWMHQTJFPMI-CHWSQXEVSA-N 1 0 304.419 1.959 10 0 DDAERO C[C@@H](CS(C)(=O)=O)[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000081902318 192336602 /nfs/dbraw/zinc/33/66/02/192336602.db2.gz CGACJPDMOGWLAJ-GOEBONIOSA-N 1 0 310.463 1.326 10 0 DDAERO COCCO[C@@H]1CC[N@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000249360380 282144913 /nfs/dbraw/zinc/14/49/13/282144913.db2.gz LOPBMPCQYIAAFM-QGZVFWFLSA-N 1 0 310.413 1.995 10 0 DDAERO [NH3+]CCc1cn(S(=O)(=O)c2ccccc2)c2ncccc12 ZINC000079034122 185147705 /nfs/dbraw/zinc/14/77/05/185147705.db2.gz FTOKPBFHDDKONI-UHFFFAOYSA-N 1 0 301.371 1.775 10 0 DDAERO CCc1ccc([C@@H](CS(=O)(=O)CCC(=O)OC)[NH2+]C)cc1 ZINC000081975381 192347413 /nfs/dbraw/zinc/34/74/13/192347413.db2.gz ACJFNKVFKBZJBK-CQSZACIVSA-N 1 0 313.419 1.487 10 0 DDAERO Cn1cc(CN(Cc2cncnc2)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000328624526 231255723 /nfs/dbraw/zinc/25/57/23/231255723.db2.gz CLNNVRDZJNIRIM-MRXNPFEDSA-N 1 0 300.410 1.354 10 0 DDAERO C[C@@H]1C[N@H+](C[C@H](O)COCc2ccc(Cl)cc2)CC[C@H]1O ZINC000249599438 282182194 /nfs/dbraw/zinc/18/21/94/282182194.db2.gz XTIYWJLQLCAVRH-UHOFOFEASA-N 1 0 313.825 1.920 10 0 DDAERO CC(=O)NC1CCN(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000124422787 539181152 /nfs/dbraw/zinc/18/11/52/539181152.db2.gz NATLBCKYSCVCLE-MRXNPFEDSA-N 1 0 324.469 1.417 10 0 DDAERO CC[C@H](C[NH3+])NS(=O)(=O)c1ccc(C)cc1Br ZINC000087386389 185223258 /nfs/dbraw/zinc/22/32/58/185223258.db2.gz XTARQINOHLFGMQ-SECBINFHSA-N 1 0 321.240 1.773 10 0 DDAERO CC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000087386524 185223310 /nfs/dbraw/zinc/22/33/10/185223310.db2.gz RGUKJJHFVWLICA-QMMMGPOBSA-N 1 0 312.313 1.601 10 0 DDAERO [NH3+]C[C@@H](C1CC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000087384674 185223420 /nfs/dbraw/zinc/22/34/20/185223420.db2.gz YEMCLYDROHLNFY-NSHDSACASA-N 1 0 309.163 1.782 10 0 DDAERO CC[C@@H](C[NH3+])C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000087532084 185227813 /nfs/dbraw/zinc/22/78/13/185227813.db2.gz MHEPNGHNHIXUOG-JTQLQIEISA-N 1 0 311.407 1.051 10 0 DDAERO OCC(CO)[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000087749412 185231276 /nfs/dbraw/zinc/23/12/76/185231276.db2.gz TWDIPWUBWFQXEI-UHFFFAOYSA-N 1 0 300.196 1.638 10 0 DDAERO CCCCS(=O)(=O)[C@@H]1CC2(CC[C@@H]1[NH2+]CCC)OCCO2 ZINC000081973659 192347577 /nfs/dbraw/zinc/34/75/77/192347577.db2.gz CHXRCNLQMGVPSD-UONOGXRCSA-N 1 0 319.467 1.865 10 0 DDAERO CC[NH2+][C@H](CS(=O)(=O)CC(=O)OC)c1cc(C)ccc1C ZINC000081976859 192347738 /nfs/dbraw/zinc/34/77/38/192347738.db2.gz SZUVEGPFIVRFRC-CQSZACIVSA-N 1 0 313.419 1.542 10 0 DDAERO C[C@H]([NH3+])CS(=O)(=O)Cc1ccc(F)cc1Br ZINC000088070327 185238636 /nfs/dbraw/zinc/23/86/36/185238636.db2.gz DNLXBGKUYMBGNG-ZETCQYMHSA-N 1 0 310.188 1.850 10 0 DDAERO Brc1ccc2nnc(COC3CC[NH2+]CC3)n2c1 ZINC000087847032 185233469 /nfs/dbraw/zinc/23/34/69/185233469.db2.gz FUHJZIRENKZGDO-UHFFFAOYSA-N 1 0 311.183 1.760 10 0 DDAERO CN(c1nc(NN)[nH+]cc1Br)[C@H]1CCCN(C)C1 ZINC000087869747 185234198 /nfs/dbraw/zinc/23/41/98/185234198.db2.gz ZJLJHFZWAUPSSC-QMMMGPOBSA-N 1 0 315.219 1.055 10 0 DDAERO CCO[C@H](C[NH3+])C[S@@](=O)c1ccc(Br)cc1 ZINC000088144585 185240738 /nfs/dbraw/zinc/24/07/38/185240738.db2.gz COBAFQVBAUTUPM-HWPZZCPQSA-N 1 0 306.225 1.921 10 0 DDAERO C[C@H]([NH2+]CC(=O)N(C)CC1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000182187399 539239118 /nfs/dbraw/zinc/23/91/18/539239118.db2.gz SWUWXWBFRGXDBA-LBPRGKRZSA-N 1 0 324.446 1.609 10 0 DDAERO C[NH2+]CCS(=O)(=O)Nc1ccc(OC)c(Br)c1 ZINC000088331454 185245876 /nfs/dbraw/zinc/24/58/76/185245876.db2.gz GLUFLRWOWYVVCR-UHFFFAOYSA-N 1 0 323.212 1.419 10 0 DDAERO CC[C@@H](C[NH3+])S(=O)(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000088471994 185251928 /nfs/dbraw/zinc/25/19/28/185251928.db2.gz LACKPZRLTLTADI-JTQLQIEISA-N 1 0 318.395 1.191 10 0 DDAERO CC1CCN(S(=O)(=O)N2CC[NH2+]CC23CCCCC3)CC1 ZINC000088396163 185248443 /nfs/dbraw/zinc/24/84/43/185248443.db2.gz BGXBRFTWGVZHHT-UHFFFAOYSA-N 1 0 315.483 1.571 10 0 DDAERO CC[NH2+][C@](CN1CCC(C(F)(F)F)CC1)(C(N)=O)C1CC1 ZINC000088435559 185250559 /nfs/dbraw/zinc/25/05/59/185250559.db2.gz XCJKNSJGVQAKCW-ZDUSSCGKSA-N 1 0 307.360 1.504 10 0 DDAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CC[C@H](COC)C2)o1 ZINC000088551385 185257333 /nfs/dbraw/zinc/25/73/33/185257333.db2.gz MTIJMQBRWCDPNA-NSHDSACASA-N 1 0 302.396 1.046 10 0 DDAERO C[NH2+]Cc1ncnn1Cc1ccc(OC)c(Br)c1 ZINC000088628707 185260201 /nfs/dbraw/zinc/26/02/01/185260201.db2.gz XJVYUOJLCKJGSX-UHFFFAOYSA-N 1 0 311.183 1.817 10 0 DDAERO CCOC(=O)[C@H]1C[NH2+]CCN1c1ccc(Br)cn1 ZINC000088673098 185262210 /nfs/dbraw/zinc/26/22/10/185262210.db2.gz PZGJLFMYPQRDPM-SNVBAGLBSA-N 1 0 314.183 1.185 10 0 DDAERO CC[C@@H]1CN([C@H]2C=CS(=O)(=O)C2)[C@H](c2ccccc2)C[NH2+]1 ZINC000088860444 185267582 /nfs/dbraw/zinc/26/75/82/185267582.db2.gz HPEOMVOAJDCEQD-PMPSAXMXSA-N 1 0 306.431 1.722 10 0 DDAERO COc1ccc([C@H]([NH3+])[C@H](C)S(=O)(=O)C2CCOCC2)cc1 ZINC000081990165 192351252 /nfs/dbraw/zinc/35/12/52/192351252.db2.gz MVURSHUVWTXBOM-XHDPSFHLSA-N 1 0 313.419 1.677 10 0 DDAERO CC[NH2+][C@@H](C[S@](=O)CCS(C)(=O)=O)c1ccc(C)cc1 ZINC000081992475 192351805 /nfs/dbraw/zinc/35/18/05/192351805.db2.gz XOGXCCYENXSFLO-LIRRHRJNSA-N 1 0 317.476 1.439 10 0 DDAERO C[C@H]([NH2+]C[C@](C)(O)CO)c1ccc(F)c(Br)c1 ZINC000090285135 185289252 /nfs/dbraw/zinc/28/92/52/185289252.db2.gz AIWGPKXEEGVXJP-UFBFGSQYSA-N 1 0 306.175 1.982 10 0 DDAERO CCN(C1C[NH2+]C1)S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000090291368 185289739 /nfs/dbraw/zinc/28/97/39/185289739.db2.gz ZCNUKZORKNXGGT-UHFFFAOYSA-N 1 0 324.324 1.568 10 0 DDAERO C[NH2+]Cc1cn(CC(=O)Nc2cccc(Br)c2)nn1 ZINC000090295394 185289800 /nfs/dbraw/zinc/28/98/00/185289800.db2.gz ZYDFOQJDFIKYKX-UHFFFAOYSA-N 1 0 324.182 1.399 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NS(=O)(=O)c1cccc(Cl)c1F ZINC000090312991 185290651 /nfs/dbraw/zinc/29/06/51/185290651.db2.gz JWWNEOPDYAIQBW-LNLATYFQSA-N 1 0 322.789 1.262 10 0 DDAERO O=S(=O)(c1ccc(Cl)cc1F)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090322030 185290980 /nfs/dbraw/zinc/29/09/80/185290980.db2.gz WGWIYTKXAWTEMC-IUCAKERBSA-N 1 0 304.774 1.319 10 0 DDAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1C(=O)c1ccc(Br)cn1 ZINC000090335857 185291641 /nfs/dbraw/zinc/29/16/41/185291641.db2.gz FTORJSHXRNZKDH-GXSJLCMTSA-N 1 0 324.222 1.914 10 0 DDAERO CCc1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2(C)C)s1 ZINC000090336793 185291788 /nfs/dbraw/zinc/29/17/88/185291788.db2.gz SNHJSTPPYBNJME-PWSUYJOCSA-N 1 0 314.476 1.929 10 0 DDAERO Cc1cccc(C[S@@](=O)[C@H]2CC3(CC[C@@H]2[NH3+])OCCO3)c1 ZINC000081996703 192352669 /nfs/dbraw/zinc/35/26/69/192352669.db2.gz NYBJIKHTBNMNJQ-GXZWQRSESA-N 1 0 309.431 1.867 10 0 DDAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000090434097 185296325 /nfs/dbraw/zinc/29/63/25/185296325.db2.gz RENFLRMJSZSQSG-CHWSQXEVSA-N 1 0 303.387 1.983 10 0 DDAERO C[C@@]1(C(=O)Nc2ccc(Br)cc2F)COC[C@H]1[NH3+] ZINC000090580519 185305007 /nfs/dbraw/zinc/30/50/07/185305007.db2.gz DDTVMRZNKOGOCL-ZYHUDNBSSA-N 1 0 317.158 1.891 10 0 DDAERO C[C@@]1(C(=O)N(Cc2ccco2)CC(F)(F)F)COC[C@@H]1[NH3+] ZINC000090590740 185305344 /nfs/dbraw/zinc/30/53/44/185305344.db2.gz MWGWMDFVDLUVFT-CMPLNLGQSA-N 1 0 306.284 1.534 10 0 DDAERO C[C@]1(C(=O)Nc2ccc(OC(F)F)c(F)c2)COC[C@@H]1[NH3+] ZINC000090589899 185305617 /nfs/dbraw/zinc/30/56/17/185305617.db2.gz ARCKAPNRAIEWPX-GWCFXTLKSA-N 1 0 304.268 1.729 10 0 DDAERO C[C@]1(C(=O)NCc2ccccc2OC(F)F)COC[C@@H]1[NH3+] ZINC000090599535 185305757 /nfs/dbraw/zinc/30/57/57/185305757.db2.gz MDGZUBCWGNEJNO-FZMZJTMJSA-N 1 0 300.305 1.268 10 0 DDAERO O=C(Cn1cccn1)N1CCCSC[C@H]1C[NH+]1CCCCC1 ZINC000090701687 185310585 /nfs/dbraw/zinc/31/05/85/185310585.db2.gz HGWCCERFTQYWQR-OAHLLOKOSA-N 1 0 322.478 1.703 10 0 DDAERO COCC[NH2+]C[C@H]1CCCN1c1ncncc1Br ZINC000090782608 185311891 /nfs/dbraw/zinc/31/18/91/185311891.db2.gz SNQAPEDZMXNXKH-SNVBAGLBSA-N 1 0 315.215 1.444 10 0 DDAERO C[C@@H]1CCCC[C@H]1OCCN1CCO[C@H](c2nncn2C)C1 ZINC000328649830 539298312 /nfs/dbraw/zinc/29/83/12/539298312.db2.gz VFAIQQFFPAQANI-KFWWJZLASA-N 1 0 308.426 1.784 10 0 DDAERO CC[C@@H]1CN(C(=O)/C=C\c2cncc(F)c2)CC[N@@H+]1C[C@H](C)O ZINC000255311513 282246416 /nfs/dbraw/zinc/24/64/16/282246416.db2.gz AVIDJGOLVBINFR-WAXTVWTQSA-N 1 0 321.396 1.538 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1c[nH]c(=NN)c(Cl)c1 ZINC000092675344 185333274 /nfs/dbraw/zinc/33/32/74/185333274.db2.gz OIPVSAWCPRKBIX-LLVKDONJSA-N 1 0 311.817 1.577 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(NN)cc1 ZINC000092633918 185330673 /nfs/dbraw/zinc/33/06/73/185330673.db2.gz LYPZNWYMQNVHOE-CYBMUJFWSA-N 1 0 312.439 1.077 10 0 DDAERO CCC(CC)N(CC(F)(F)F)C(=O)CN1CCC([NH3+])CC1 ZINC000092714150 185335936 /nfs/dbraw/zinc/33/59/36/185335936.db2.gz ZCNQPNNWDZMAPJ-UHFFFAOYSA-N 1 0 309.376 1.989 10 0 DDAERO CC1(C)C(NS(=O)(=O)c2cc(C[NH3+])n(C3CC3)c2)C1(C)C ZINC000092833241 185344874 /nfs/dbraw/zinc/34/48/74/185344874.db2.gz GTJKLFPOXVDYJG-UHFFFAOYSA-N 1 0 311.451 1.995 10 0 DDAERO CC[NH2+]C1CCC(NS(=O)(=O)c2cn(CC)cn2)CC1 ZINC000092910020 185348471 /nfs/dbraw/zinc/34/84/71/185348471.db2.gz RLYJRALLBXPGMH-UHFFFAOYSA-N 1 0 300.428 1.102 10 0 DDAERO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C\c2cncc(F)c2)C[C@@H]1C ZINC000255765481 282278406 /nfs/dbraw/zinc/27/84/06/282278406.db2.gz BBUUFTSFXWOAJY-LDIIPZEWSA-N 1 0 307.369 1.147 10 0 DDAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000183225975 199558980 /nfs/dbraw/zinc/55/89/80/199558980.db2.gz YPHUKZVCPJDHSW-PKFCDNJMSA-N 1 0 318.377 1.340 10 0 DDAERO CCC[NH2+][C@@H](C)[C@@H]1CCCN(S(=O)(=O)c2c[nH]nc2C)C1 ZINC000111713371 185628965 /nfs/dbraw/zinc/62/89/65/185628965.db2.gz JXXXBXZCGKHSHK-WCQYABFASA-N 1 0 314.455 1.507 10 0 DDAERO CC(C)(C)OC(=O)NCCN1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000616656902 362771383 /nfs/dbraw/zinc/77/13/83/362771383.db2.gz UWKAJGPHDHOJKO-CQSZACIVSA-N 1 0 306.410 1.553 10 0 DDAERO C[C@@H]1CC[C@H](C[NH3+])CN1S(=O)(=O)c1cc(F)cc(F)c1 ZINC000070181283 190868700 /nfs/dbraw/zinc/86/87/00/190868700.db2.gz VGEWPCYBXITEAD-NXEZZACHSA-N 1 0 304.362 1.713 10 0 DDAERO C[C@H]1CCN(C(=O)c2ccc(Br)cc2O)C[C@@H]1[NH3+] ZINC000070145380 190862881 /nfs/dbraw/zinc/86/28/81/190862881.db2.gz FFMTXNBTCGGVNN-KWQFWETISA-N 1 0 313.195 1.964 10 0 DDAERO [NH3+][C@H]1CCN(c2cc(-c3nc(-c4ccncc4)no3)ccn2)C1 ZINC000070458242 190897507 /nfs/dbraw/zinc/89/75/07/190897507.db2.gz HOTPGWVCVLGSEJ-ZDUSSCGKSA-N 1 0 308.345 1.731 10 0 DDAERO Cn1cc(Br)cc1C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000261732845 282617554 /nfs/dbraw/zinc/61/75/54/282617554.db2.gz OLPAXWUWKRCZAD-NSHDSACASA-N 1 0 314.227 1.906 10 0 DDAERO CCC[NH2+][C@](C)(CO)CSc1ccc(S(C)(=O)=O)cc1 ZINC000070520222 190903719 /nfs/dbraw/zinc/90/37/19/190903719.db2.gz FREVMWCGRZKDEI-CQSZACIVSA-N 1 0 317.476 1.933 10 0 DDAERO CC[NH2+][C@@H](C)CCC[S@](=O)c1ccc(S(C)(=O)=O)cc1 ZINC000084055968 192397967 /nfs/dbraw/zinc/39/79/67/192397967.db2.gz ZEPPWDLZPIBFPF-HXPMCKFVSA-N 1 0 317.476 1.976 10 0 DDAERO CCC[C@H](C[S@](=O)c1ccc(S(C)(=O)=O)cc1)[NH2+]CC ZINC000084055956 192398242 /nfs/dbraw/zinc/39/82/42/192398242.db2.gz PMHAZOIHMTYDKI-CWTRNNRKSA-N 1 0 317.476 1.976 10 0 DDAERO [NH3+]C[C@H]1c2ccc3ccccc3c2CN1[C@@H]1CCS(=O)(=O)C1 ZINC000071683644 191007211 /nfs/dbraw/zinc/00/72/11/191007211.db2.gz ALKUWTNWSOYTTA-DYVFJYSZSA-N 1 0 316.426 1.842 10 0 DDAERO CC(C)(CO)NC(=O)Cc1csc(-c2ccccc2C[NH3+])n1 ZINC000071693893 191008438 /nfs/dbraw/zinc/00/84/38/191008438.db2.gz WJAFKOFCPHCRPA-UHFFFAOYSA-N 1 0 319.430 1.698 10 0 DDAERO CNC(=O)c1cccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000171887341 198001028 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MXCFXMFKMPRQPV-CABZTGNLSA-N 1 0 312.211 1.866 10 0 DDAERO C[C@@H]1OCCC[C@@H]1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000188056567 200187263 /nfs/dbraw/zinc/18/72/63/200187263.db2.gz QTJCQMBUKRFWMR-YOEHRIQHSA-N 1 0 302.418 1.976 10 0 DDAERO O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)[C@@H]1CCC[NH2+]1 ZINC000237722795 202338442 /nfs/dbraw/zinc/33/84/42/202338442.db2.gz HTSCRJXJNKGUAC-LBPRGKRZSA-N 1 0 305.769 1.670 10 0 DDAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000237800519 283512642 /nfs/dbraw/zinc/51/26/42/283512642.db2.gz FGLKIQNEVCRLAJ-MFKMUULPSA-N 1 0 303.341 1.264 10 0 DDAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H]1CCO ZINC000189227795 200367573 /nfs/dbraw/zinc/36/75/73/200367573.db2.gz NYPPOJDCSCFDGS-IXDOHACOSA-N 1 0 304.434 1.827 10 0 DDAERO CCCCOC[C@@H](O)C[NH+]1CCN(c2ccccc2O)CC1 ZINC000193356794 201038200 /nfs/dbraw/zinc/03/82/00/201038200.db2.gz XRGXQTMLGRILFW-HNNXBMFYSA-N 1 0 308.422 1.692 10 0 DDAERO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1cccc2cccnc21 ZINC000193454087 201053393 /nfs/dbraw/zinc/05/33/93/201053393.db2.gz NEMWRKHBTWHBOY-YPMHNXCESA-N 1 0 305.403 1.654 10 0 DDAERO CCC[C@]1(CN2CCSC[C@@H]2S(C)(=O)=O)CC[NH2+]C1 ZINC000090925494 192949111 /nfs/dbraw/zinc/94/91/11/192949111.db2.gz UHYOKLUGLQILQD-STQMWFEESA-N 1 0 306.497 1.186 10 0 DDAERO CCS(=O)(=O)[C@H]1CSCCN1CCCCC[NH2+]C1CC1 ZINC000090928134 192950514 /nfs/dbraw/zinc/95/05/14/192950514.db2.gz MDOMRTJWDGVVMH-AWEZNQCLSA-N 1 0 320.524 1.718 10 0 DDAERO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000246703257 202611396 /nfs/dbraw/zinc/61/13/96/202611396.db2.gz WJPOZZROFZXPCD-JKOKRWQUSA-N 1 0 323.824 1.702 10 0 DDAERO Cn1ccnc(N2CCC[C@@H]([NH2+][C@H]3CCCSC3)C2)c1=O ZINC000275528999 212395522 /nfs/dbraw/zinc/39/55/22/212395522.db2.gz LSDXFDXUIKCSMI-OLZOCXBDSA-N 1 0 308.451 1.234 10 0 DDAERO CCOC(=O)c1ccsc1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091138288 193002366 /nfs/dbraw/zinc/00/23/66/193002366.db2.gz WNXCOWUXQRKXLO-SECBINFHSA-N 1 0 314.432 1.958 10 0 DDAERO 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CCN(CCC[NH2+]C[C@H]1COc2ccccc21)S(C)(=O)=O ZINC000092299832 193186021 /nfs/dbraw/zinc/18/60/21/193186021.db2.gz QLHBZMPUKVMAGF-ZDUSSCGKSA-N 1 0 312.435 1.424 10 0 DDAERO Cn1cc(Br)cc1C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261588551 203078197 /nfs/dbraw/zinc/07/81/97/203078197.db2.gz VTZRYCXEDIDQFL-GXSJLCMTSA-N 1 0 312.211 1.612 10 0 DDAERO CCc1ccc(CNC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)s1 ZINC000261990116 203168542 /nfs/dbraw/zinc/16/85/42/203168542.db2.gz SNTMXEJQMRZDBU-CABCVRRESA-N 1 0 318.446 1.663 10 0 DDAERO CSCC[C@@H]([NH3+])C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 ZINC000262098415 203197739 /nfs/dbraw/zinc/19/77/39/203197739.db2.gz CGZXHRFETNCXKM-GXTWGEPZSA-N 1 0 321.446 1.268 10 0 DDAERO CC[NH2+]Cc1cccc(NC(=O)[C@H](CCSC)NC(N)=O)c1 ZINC000262504874 203312372 /nfs/dbraw/zinc/31/23/72/203312372.db2.gz GQDLLNQGKNQMTN-ZDUSSCGKSA-N 1 0 324.450 1.525 10 0 DDAERO O=S1(=O)CC[C@@H](C2(CCCOCC(F)(F)F)C[NH2+]C2)C1 ZINC000093195421 193214431 /nfs/dbraw/zinc/21/44/31/193214431.db2.gz 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193292276 /nfs/dbraw/zinc/29/22/76/193292276.db2.gz WLXJZQQEMBPWMW-SLTAFYQDSA-N 1 0 318.483 1.189 10 0 DDAERO CCC[NH2+][C@@H](CC[C@@H]1CCCN(S(C)(=O)=O)C1)COC ZINC000093698093 193292513 /nfs/dbraw/zinc/29/25/13/193292513.db2.gz SQADWDDTRQDJAS-KBPBESRZSA-N 1 0 306.472 1.453 10 0 DDAERO CC[C@H]([NH3+])Cc1ccn(C[C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000093701803 193294622 /nfs/dbraw/zinc/29/46/22/193294622.db2.gz XDGHKQZLFVISMZ-GJZGRUSLSA-N 1 0 313.467 1.440 10 0 DDAERO CC[NH2+][C@@]1(C(N)=O)CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000093759214 193301717 /nfs/dbraw/zinc/30/17/17/193301717.db2.gz IIKLUXAQOZDIQB-SKDRFNHKSA-N 1 0 304.316 1.851 10 0 DDAERO CN(CCS(C)(=O)=O)[C@@]1(C[NH3+])CCC[C@H](C(F)(F)F)C1 ZINC000094297960 193356606 /nfs/dbraw/zinc/35/66/06/193356606.db2.gz KJQRPNYTMKZMRM-QWRGUYRKSA-N 1 0 316.389 1.413 10 0 DDAERO COc1ccc([C@H]([C@H](C)[NH3+])N(C)CCS(C)(=O)=O)cc1 ZINC000094297397 193356617 /nfs/dbraw/zinc/35/66/17/193356617.db2.gz DNKJARJJXCZKSO-FZMZJTMJSA-N 1 0 300.424 1.060 10 0 DDAERO 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/nfs/dbraw/zinc/38/94/93/193389493.db2.gz ZRGFQLGHXOBVTK-ILXRZTDVSA-N 1 0 305.484 1.977 10 0 DDAERO CC(C)(C)[NH2+]Cc1ncnn1[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094644068 193389658 /nfs/dbraw/zinc/38/96/58/193389658.db2.gz SHFCCXYRXKVXPL-NWDGAFQWSA-N 1 0 314.455 1.695 10 0 DDAERO OCCN1CC[NH+]([C@@H]2CCOC3(CCSCC3)C2)CC1 ZINC000094410774 193368520 /nfs/dbraw/zinc/36/85/20/193368520.db2.gz ANGJHXOEAMDLJK-CQSZACIVSA-N 1 0 300.468 1.041 10 0 DDAERO CC(C)[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(C)(C)S(C)(=O)=O ZINC000094450439 193372047 /nfs/dbraw/zinc/37/20/47/193372047.db2.gz NEKLDYGHEVGNEX-ZIAGYGMSSA-N 1 0 302.484 1.614 10 0 DDAERO C[NH2+][C@@H](Cc1cccc(Br)c1)[C@@H]1CN2CCN1CC2 ZINC000094509021 193376213 /nfs/dbraw/zinc/37/62/13/193376213.db2.gz YDBKWDKZAPHSMN-GJZGRUSLSA-N 1 0 324.266 1.579 10 0 DDAERO COC(=O)c1ccc(Cl)cc1NC(=O)[C@H]1CC[C@@H](C[NH3+])O1 ZINC000094565996 193380454 /nfs/dbraw/zinc/38/04/54/193380454.db2.gz PUNJEWKOKMGAEJ-JOYOIKCWSA-N 1 0 312.753 1.571 10 0 DDAERO COC(=O)c1cc(Cl)ccc1NC(=O)[C@H]1CC[C@@H](C[NH3+])O1 ZINC000094565950 193380539 /nfs/dbraw/zinc/38/05/39/193380539.db2.gz VHSTVDGAMHQPKH-JOYOIKCWSA-N 1 0 312.753 1.571 10 0 DDAERO Cc1cc(NC(=O)[C@H]2CC[C@H](C[NH3+])O2)ncc1Br ZINC000094573349 193381786 /nfs/dbraw/zinc/38/17/86/193381786.db2.gz NFLMNKPYLGYAKN-PSASIEDQSA-N 1 0 314.183 1.597 10 0 DDAERO C[C@H]1CCN(c2nc3ccc(Br)cn3n2)C[C@@H]1[NH3+] ZINC000094608343 193384703 /nfs/dbraw/zinc/38/47/03/193384703.db2.gz CXHJPICSJFNAND-WPRPVWTQSA-N 1 0 310.199 1.665 10 0 DDAERO C[NH+](C)C[C@H]1C[C@H](O)CN1C(=O)c1ccc(Cl)cc1F ZINC000097251252 193699253 /nfs/dbraw/zinc/69/92/53/193699253.db2.gz FKAQWTREKCDIAN-MNOVXSKESA-N 1 0 300.761 1.616 10 0 DDAERO C[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)C[C@H]1CCS(=O)(=O)C1 ZINC000097274000 193702707 /nfs/dbraw/zinc/70/27/07/193702707.db2.gz OWJNNZMNCFAZKP-GHMZBOCLSA-N 1 0 319.858 1.337 10 0 DDAERO c1cc2nonc2c(C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)c1 ZINC000019607580 182133697 /nfs/dbraw/zinc/13/36/97/182133697.db2.gz 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/nfs/dbraw/zinc/06/00/44/249060044.db2.gz WTAZYGYZNLSKFK-ZQDZILKHSA-N 1 0 321.425 1.302 10 0 DDAERO CCOC(=O)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+](CC)CC ZINC000040614924 183108608 /nfs/dbraw/zinc/10/86/08/183108608.db2.gz RTVRJJHICMIAOW-OAHLLOKOSA-N 1 0 322.405 1.757 10 0 DDAERO C[C@H](NC(=O)C1([NH3+])CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000040855785 183142936 /nfs/dbraw/zinc/14/29/36/183142936.db2.gz ZUYBLYZBVWDNTM-NSHDSACASA-N 1 0 310.419 1.539 10 0 DDAERO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2cc(N)cs2)CC1 ZINC000041068330 183161674 /nfs/dbraw/zinc/16/16/74/183161674.db2.gz YEPDRYWSVVFZGZ-UHFFFAOYSA-N 1 0 317.480 1.824 10 0 DDAERO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1cc(N)cs1 ZINC000041068406 183162203 /nfs/dbraw/zinc/16/22/03/183162203.db2.gz NLKHMPWKLXUZSO-UHFFFAOYSA-N 1 0 317.480 1.825 10 0 DDAERO COC(=O)Cc1c(C)[nH+]c2ccccc2c1NCCCNC=O ZINC000041473225 183193150 /nfs/dbraw/zinc/19/31/50/183193150.db2.gz HHRIDZXPLZAHJS-UHFFFAOYSA-N 1 0 315.373 1.807 10 0 DDAERO Cn1cc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+]2CCCC2)nn1 ZINC000041511774 183195643 /nfs/dbraw/zinc/19/56/43/183195643.db2.gz PHSBLFUOJCBAML-HNNXBMFYSA-N 1 0 317.368 1.521 10 0 DDAERO C[C@@H]1CN(S(=O)(=O)c2ccc(CC[NH3+])s2)CC(C)(C)O1 ZINC000041681916 183216658 /nfs/dbraw/zinc/21/66/58/183216658.db2.gz HVHXXJZZAANTEP-SNVBAGLBSA-N 1 0 318.464 1.437 10 0 DDAERO CC[C@@H](O)c1cccc(S(=O)(=O)NCCCC[NH+](C)C)c1 ZINC000041684798 183216679 /nfs/dbraw/zinc/21/66/79/183216679.db2.gz ZULFHPVAVJUGFB-OAHLLOKOSA-N 1 0 314.451 1.750 10 0 DDAERO O=C(C[C@H]1CCC[NH2+]1)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000042166660 183238401 /nfs/dbraw/zinc/23/84/01/183238401.db2.gz SQOJRHAHILRZLI-SNVBAGLBSA-N 1 0 318.345 1.764 10 0 DDAERO COCCCN(CCOC)[C@H](C[NH3+])c1ccc(F)cc1F ZINC000042421019 183267502 /nfs/dbraw/zinc/26/75/02/183267502.db2.gz ITFWAICXDRXOPU-OAHLLOKOSA-N 1 0 302.365 1.950 10 0 DDAERO CCCO[C@@H]1CCCN(S(=O)(=O)c2ccccc2C[NH3+])C1 ZINC000042424120 183268564 /nfs/dbraw/zinc/26/85/64/183268564.db2.gz ATWYYRYNDMGJFO-CQSZACIVSA-N 1 0 312.435 1.725 10 0 DDAERO COCCN([C@H](C)C1CC1)S(=O)(=O)c1cccc(C[NH3+])c1 ZINC000042680567 183296137 /nfs/dbraw/zinc/29/61/37/183296137.db2.gz MKYIQFBVRRPKJQ-GFCCVEGCSA-N 1 0 312.435 1.581 10 0 DDAERO COC[C@H](O)CN(C)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043021754 183329631 /nfs/dbraw/zinc/32/96/31/183329631.db2.gz DEALXQZBTCLYLJ-OLZOCXBDSA-N 1 0 317.227 1.388 10 0 DDAERO C[C@H]([NH3+])[C@H](c1cccnc1)N1CCN(c2nccs2)CC1 ZINC000043345885 183356661 /nfs/dbraw/zinc/35/66/61/183356661.db2.gz DNPYNJQGCFLXOV-GXTWGEPZSA-N 1 0 303.435 1.749 10 0 DDAERO CC[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(N)cc2F)C1 ZINC000043592607 183374744 /nfs/dbraw/zinc/37/47/44/183374744.db2.gz BFEHLIYFUATXIC-SNVBAGLBSA-N 1 0 301.387 1.028 10 0 DDAERO O=C(Nc1cccc(Cl)c1-n1cccn1)[C@H]1C[NH2+]CCO1 ZINC000043709406 183382473 /nfs/dbraw/zinc/38/24/73/183382473.db2.gz WLRVZTYKZAKZOO-GFCCVEGCSA-N 1 0 306.753 1.453 10 0 DDAERO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043800921 183386707 /nfs/dbraw/zinc/38/67/07/183386707.db2.gz BISWROGKCRTAHX-NSHDSACASA-N 1 0 312.391 1.414 10 0 DDAERO CC[NH+](CC)CC(=O)N1CCC(N(C)c2cccnn2)CC1 ZINC000105816528 194136648 /nfs/dbraw/zinc/13/66/48/194136648.db2.gz PAUOWZGWEHDRKZ-UHFFFAOYSA-N 1 0 305.426 1.246 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(CCC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC000105824068 194137536 /nfs/dbraw/zinc/13/75/36/194137536.db2.gz CSNPTEXFCCSCNZ-ZIAGYGMSSA-N 1 0 323.412 1.541 10 0 DDAERO C[C@@H](O)C[N@@H+]1CCN(CC(=O)N(C)c2ccccc2)C[C@@H]1C ZINC000105821593 194138598 /nfs/dbraw/zinc/13/85/98/194138598.db2.gz HGSBNCWJBUIAAY-LSDHHAIUSA-N 1 0 305.422 1.036 10 0 DDAERO CCN(CC)C(=O)[C@H](C)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105805383 194133996 /nfs/dbraw/zinc/13/39/96/194133996.db2.gz HJNMVFGQGOSOEG-ZDUSSCGKSA-N 1 0 305.426 1.610 10 0 DDAERO O[C@@H](C[NH+]1CCN(CCn2cccn2)CC1)c1ccccc1 ZINC000105819002 194135504 /nfs/dbraw/zinc/13/55/04/194135504.db2.gz INJZAYRNEVTYGR-KRWDZBQOSA-N 1 0 300.406 1.234 10 0 DDAERO CC[C@@H]1CN(Cc2cn3cccnc3n2)CC[N@@H+]1CCOC ZINC000105836618 194141392 /nfs/dbraw/zinc/14/13/92/194141392.db2.gz QTNPZJDDYUVTNG-OAHLLOKOSA-N 1 0 303.410 1.272 10 0 DDAERO CC[C@@H]1CN(CC(=O)Nc2ccccc2)CC[N@@H+]1CCOC ZINC000105836088 194142483 /nfs/dbraw/zinc/14/24/83/194142483.db2.gz MTNMKFHHBACUSN-MRXNPFEDSA-N 1 0 305.422 1.668 10 0 DDAERO CC[C@H]1CN([C@@H](C)C(=O)NC2CCCC2)CC[N@@H+]1CCOC ZINC000105835813 194143316 /nfs/dbraw/zinc/14/33/16/194143316.db2.gz IPOHTWKGCFIJET-HOCLYGCPSA-N 1 0 311.470 1.476 10 0 DDAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCCN1C(=O)CNC1=O ZINC000105896036 194162610 /nfs/dbraw/zinc/16/26/10/194162610.db2.gz MBIOVUQENNEDIX-ZDUSSCGKSA-N 1 0 319.409 1.116 10 0 DDAERO CCn1cnnc1C1CC[NH+](C[C@H](O)COCC(C)C)CC1 ZINC000105904695 194165941 /nfs/dbraw/zinc/16/59/41/194165941.db2.gz QYGHECLFKGCLDL-HNNXBMFYSA-N 1 0 310.442 1.511 10 0 DDAERO CC(C)(C)OC(=O)CC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105909047 194166505 /nfs/dbraw/zinc/16/65/05/194166505.db2.gz ZTNNSBPZHWRAIL-UHFFFAOYSA-N 1 0 306.410 1.721 10 0 DDAERO CC(C)OC[C@H](O)C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105902127 194166975 /nfs/dbraw/zinc/16/69/75/194166975.db2.gz LKODWBNEJCADQI-HUUCEWRRSA-N 1 0 308.426 1.163 10 0 DDAERO Cc1ccc(NC(=O)[C@H](C)N2CCO[C@H](C[NH+](C)C)C2)c(C)c1 ZINC000105925158 194171411 /nfs/dbraw/zinc/17/14/11/194171411.db2.gz ARVSTFRFXGMELH-JKSUJKDBSA-N 1 0 319.449 1.893 10 0 DDAERO C[NH+](C)C[C@@H]1CN(CC(=O)NC2CCCCCCC2)CCO1 ZINC000105927228 194173074 /nfs/dbraw/zinc/17/30/74/194173074.db2.gz CKDQXIYLILSOSP-MRXNPFEDSA-N 1 0 311.470 1.478 10 0 DDAERO CC(C)(C(N)=S)[NH+]1CCN(CCOCC(F)(F)F)CC1 ZINC000109470621 194266565 /nfs/dbraw/zinc/26/65/65/194266565.db2.gz NTQVPNCYBWPENP-UHFFFAOYSA-N 1 0 313.389 1.248 10 0 DDAERO CC[C@H](C(N)=S)[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000109460793 194265792 /nfs/dbraw/zinc/26/57/92/194265792.db2.gz SCLFJBYNLPEXIY-GFCCVEGCSA-N 1 0 307.419 1.215 10 0 DDAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CCCO)cc1 ZINC000052763909 183871802 /nfs/dbraw/zinc/87/18/02/183871802.db2.gz SNNBBXBGBSAXFK-CQSZACIVSA-N 1 0 312.435 1.332 10 0 DDAERO C[NH2+]C[C@H](Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000052949672 183881705 /nfs/dbraw/zinc/88/17/05/183881705.db2.gz ZFRYUEGQCMCQDN-STQMWFEESA-N 1 0 315.410 1.647 10 0 DDAERO COc1cc2c(cc1F)[nH+]c(N)n2C1CCS(=O)(=O)CC1 ZINC000110629648 194343327 /nfs/dbraw/zinc/34/33/27/194343327.db2.gz SPGKWJIJVRFANX-UHFFFAOYSA-N 1 0 313.354 1.516 10 0 DDAERO C[NH+](C)CC(C)(C)CNC(=O)Cc1ccc(C(N)=S)cc1 ZINC000110612860 194342298 /nfs/dbraw/zinc/34/22/98/194342298.db2.gz OMOZEOALJMUCNI-UHFFFAOYSA-N 1 0 307.463 1.567 10 0 DDAERO COCCN(C)[C@H](C[NH3+])c1ccc(OC)c(OC)c1Cl ZINC000110828777 194362205 /nfs/dbraw/zinc/36/22/05/194362205.db2.gz JRDDRLXUQLDRAA-LLVKDONJSA-N 1 0 302.802 1.935 10 0 DDAERO CCOc1ccc(S(=O)(=O)N(C)[C@@H]2CCC[NH2+]C2)cc1C ZINC000110927909 194369997 /nfs/dbraw/zinc/36/99/97/194369997.db2.gz NDUXPUFFSSPTGA-CYBMUJFWSA-N 1 0 312.435 1.766 10 0 DDAERO CN(c1ccccc1S(=O)(=O)NC1CC1)[C@H]1CCC[NH2+]C1 ZINC000110932273 194371487 /nfs/dbraw/zinc/37/14/87/194371487.db2.gz YQEWMIHTIDSCCB-ZDUSSCGKSA-N 1 0 309.435 1.316 10 0 DDAERO CCOc1ccc(S(=O)(=O)N(CC)[C@@H]2CCC[NH2+]C2)cc1 ZINC000110941416 194372718 /nfs/dbraw/zinc/37/27/18/194372718.db2.gz MGBURJCYEWYRGU-CYBMUJFWSA-N 1 0 312.435 1.848 10 0 DDAERO CC[NH2+][C@H](C)c1ccc(C)cc1O[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000110960767 194374079 /nfs/dbraw/zinc/37/40/79/194374079.db2.gz IWANOMPNWNQNHQ-ZLDLUXBVSA-N 1 0 313.419 1.202 10 0 DDAERO O=C1CC[C@H]([NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)CN1 ZINC000111019524 194383937 /nfs/dbraw/zinc/38/39/37/194383937.db2.gz QWPODAJFDAAZIZ-NWDGAFQWSA-N 1 0 302.296 1.607 10 0 DDAERO C[NH2+][C@H](Cc1ccc(F)cc1Br)CS(C)(=O)=O ZINC000060705654 184154449 /nfs/dbraw/zinc/15/44/49/184154449.db2.gz FPYILFXJNFMNEE-SNVBAGLBSA-N 1 0 324.215 1.763 10 0 DDAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000061231241 184166797 /nfs/dbraw/zinc/16/67/97/184166797.db2.gz LWFNQNPYGRXJLC-LLVKDONJSA-N 1 0 313.423 1.121 10 0 DDAERO CC[NH2+][C@H](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000061271089 184167081 /nfs/dbraw/zinc/16/70/81/184167081.db2.gz DLIBRSHUEOWZDG-MRVPVSSYSA-N 1 0 319.814 1.314 10 0 DDAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000061270401 184167239 /nfs/dbraw/zinc/16/72/39/184167239.db2.gz UZZPXNOOTVXSQE-LLVKDONJSA-N 1 0 313.423 1.264 10 0 DDAERO CCCn1c(SCc2ccc(C(N)=[NH2+])cc2F)n[nH]c1=O ZINC000061595720 184176402 /nfs/dbraw/zinc/17/64/02/184176402.db2.gz MWWSGCUKSRZTCM-UHFFFAOYSA-N 1 0 309.370 1.697 10 0 DDAERO C[NH+](C)CCCNC(=O)[C@@H]1CCCN1Cc1ccccc1F ZINC000062066180 184203722 /nfs/dbraw/zinc/20/37/22/184203722.db2.gz ZLUAKPZYKHNROK-INIZCTEOSA-N 1 0 307.413 1.858 10 0 DDAERO Cc1cccc(N)c1S(=O)(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000062069435 184204481 /nfs/dbraw/zinc/20/44/81/184204481.db2.gz GERPNNIRSRAMLO-LBPRGKRZSA-N 1 0 311.451 1.587 10 0 DDAERO O=C(Nc1cccc(I)c1)[C@H]1CC[NH2+]C1 ZINC000062112632 184206332 /nfs/dbraw/zinc/20/63/32/184206332.db2.gz IYOCRTBHAXHMNE-QMMMGPOBSA-N 1 0 316.142 1.839 10 0 DDAERO CN(Cc1nccn1C)[C@H](C[NH3+])c1ccc(Br)o1 ZINC000062249850 184225604 /nfs/dbraw/zinc/22/56/04/184225604.db2.gz ABTKBNPBHOEFER-SECBINFHSA-N 1 0 313.199 1.907 10 0 DDAERO CCCN[C@@H](CC[N@@H+]1CCC[C@H](OCCC)C1)C(=O)OC ZINC000062526948 184241746 /nfs/dbraw/zinc/24/17/46/184241746.db2.gz COCMJBPKJIJZSP-GJZGRUSLSA-N 1 0 300.443 1.809 10 0 DDAERO COCCN(CCOC)[C@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062710170 184248964 /nfs/dbraw/zinc/24/89/64/184248964.db2.gz SACVSTLQYKENTG-CYBMUJFWSA-N 1 0 306.328 1.699 10 0 DDAERO COCC[NH2+]Cc1c(Cl)cccc1N1CCC[C@@H]1C(N)=O ZINC000062735000 184251152 /nfs/dbraw/zinc/25/11/52/184251152.db2.gz NVGFIANFHYFCME-CQSZACIVSA-N 1 0 311.813 1.530 10 0 DDAERO CCC[NH2+]Cc1ccc(OCC(N)=O)c(Br)c1 ZINC000062701305 184248167 /nfs/dbraw/zinc/24/81/67/184248167.db2.gz HAYMWXKAYHMQRO-UHFFFAOYSA-N 1 0 301.184 1.813 10 0 DDAERO CC(=O)c1cccc(S(=O)(=O)N[C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000063213997 184278981 /nfs/dbraw/zinc/27/89/81/184278981.db2.gz YROPZMJBHNKQBZ-CABCVRRESA-N 1 0 310.419 1.828 10 0 DDAERO Nc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)ccc1F ZINC000062975713 184263462 /nfs/dbraw/zinc/26/34/62/184263462.db2.gz DHGLTCUIUCMYJL-NSHDSACASA-N 1 0 313.398 1.267 10 0 DDAERO Cc1ccc([C@@H]([C@H](C)[NH3+])N2CC[C@H](N3CCOCC3)C2)s1 ZINC000062977899 184264023 /nfs/dbraw/zinc/26/40/23/184264023.db2.gz YYSONKKUZANPPT-OFQRWUPVSA-N 1 0 309.479 1.851 10 0 DDAERO COCC[NH2+]CC(=O)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000066224628 184398107 /nfs/dbraw/zinc/39/81/07/184398107.db2.gz LGXPBOKIZHBQAB-UHFFFAOYSA-N 1 0 317.345 1.706 10 0 DDAERO CCC[C@@H](C(=O)NCCNc1cc(OC)cc(OC)c1)[NH+](C)C ZINC000120278480 195134217 /nfs/dbraw/zinc/13/42/17/195134217.db2.gz BCGBYQLFUJFNDT-INIZCTEOSA-N 1 0 323.437 1.962 10 0 DDAERO Cc1ccc(N2CCC[N@H+](CC[C@@H]3CCOC3=O)CC2)nn1 ZINC000120462494 195171112 /nfs/dbraw/zinc/17/11/12/195171112.db2.gz FPYGRXLQHJSTHM-CQSZACIVSA-N 1 0 304.394 1.250 10 0 DDAERO CCOCC[N@@H+]1C[C@@H]2OC[C@@H](C(=O)Nc3cccnc3)[C@@H]2C1 ZINC000248321467 257106836 /nfs/dbraw/zinc/10/68/36/257106836.db2.gz UQNMKCYJDVJEAW-ZNMIVQPWSA-N 1 0 305.378 1.003 10 0 DDAERO CC[N@@H+]1CC[C@H]2Oc3ccccc3S(=O)(=O)N(C)[C@@H]2CC1 ZINC000248057275 257110419 /nfs/dbraw/zinc/11/04/19/257110419.db2.gz STPUFXFNMFZAMG-CHWSQXEVSA-N 1 0 310.419 1.552 10 0 DDAERO C[NH+](C)C[C@@H]1OC[C@H]2CCN(C(=O)Cc3ccsc3)C[C@@H]12 ZINC000248044845 257111173 /nfs/dbraw/zinc/11/11/73/257111173.db2.gz WEJZRCGQTBMGBE-KFWWJZLASA-N 1 0 308.447 1.716 10 0 DDAERO O=C([C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]2OCC[C@@H]21)N1CCCC1 ZINC000253615493 257104683 /nfs/dbraw/zinc/10/46/83/257104683.db2.gz OCEBMHAIAYLOBF-ZACQAIPSSA-N 1 0 315.417 1.541 10 0 DDAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)Nc1cc(Cl)ccc1Cl ZINC000414655226 224368556 /nfs/dbraw/zinc/36/85/56/224368556.db2.gz DDKMJGVTYNNBKZ-CPCISQLKSA-N 1 0 304.177 1.695 10 0 DDAERO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2cncc(F)c2)C1 ZINC000286565696 286094329 /nfs/dbraw/zinc/09/43/29/286094329.db2.gz YAHWXJNTJADUJZ-GJZGRUSLSA-N 1 0 307.369 1.546 10 0 DDAERO CC[N@@H+]1CC[C@@H](NC(=O)c2ncsc2Br)C1 ZINC000569941290 304386438 /nfs/dbraw/zinc/38/64/38/304386438.db2.gz RGWOLYIZLFVFJV-SSDOTTSWSA-N 1 0 304.213 1.730 10 0 DDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CN(C)C(=O)OC(C)(C)C ZINC000069550443 406734016 /nfs/dbraw/zinc/73/40/16/406734016.db2.gz KJULACFXVLURHA-CYBMUJFWSA-N 1 0 315.458 1.946 10 0 DDAERO C[NH+](C)C[C@@H](NC(=O)CNCC(F)(F)F)c1ccccc1 ZINC000078586940 407035570 /nfs/dbraw/zinc/03/55/70/407035570.db2.gz AUVVABKXBIUHQD-GFCCVEGCSA-N 1 0 303.328 1.557 10 0 DDAERO NC(=O)CC[C@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000084963562 407096387 /nfs/dbraw/zinc/09/63/87/407096387.db2.gz NVGLNZVPWDBSKJ-WBVHZDCISA-N 1 0 320.433 1.542 10 0 DDAERO CCn1ccnc1CN1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000081015077 407073853 /nfs/dbraw/zinc/07/38/53/407073853.db2.gz IHKDKFRMSJCDRW-UHFFFAOYSA-N 1 0 320.418 1.503 10 0 DDAERO [NH3+]Cc1cn(-c2ccccc2I)nn1 ZINC000050224139 407128937 /nfs/dbraw/zinc/12/89/37/407128937.db2.gz QSYZTTVDBWFLSL-UHFFFAOYSA-N 1 0 300.103 1.331 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CCc1nn(C)c(Cl)c1CN1CC[NH+](CCCO)CC1 ZINC000105917834 696625662 /nfs/dbraw/zinc/62/56/62/696625662.db2.gz UQVAQCNGCVVVIV-UHFFFAOYSA-N 1 0 300.834 1.136 10 0 DDAERO CCCCCC[C@H](C)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000132323402 696813869 /nfs/dbraw/zinc/81/38/69/696813869.db2.gz MDOTVUVIOGNKCQ-GJZGRUSLSA-N 1 0 300.443 1.402 10 0 DDAERO CC(C)OCC[NH2+]Cc1c(C(C)C)nn(C)c1N1CCOCC1 ZINC000184171406 697500111 /nfs/dbraw/zinc/50/01/11/697500111.db2.gz DUVUEYAQBPGLIQ-UHFFFAOYSA-N 1 0 324.469 1.895 10 0 DDAERO CCO[C@@H]1C[C@@H]([NH2+]CCCC(=O)NC2CC2)C12CCOCC2 ZINC000186248871 697531488 /nfs/dbraw/zinc/53/14/88/697531488.db2.gz ZEQNZSPDLRQPRY-HUUCEWRRSA-N 1 0 310.438 1.609 10 0 DDAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)nn2C)C1 ZINC000192067280 697618757 /nfs/dbraw/zinc/61/87/57/697618757.db2.gz REKMIIMXCNQBOF-SECBINFHSA-N 1 0 315.215 1.397 10 0 DDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CSCCS1 ZINC000246149935 698344210 /nfs/dbraw/zinc/34/42/10/698344210.db2.gz CAXMLPFABUQUJC-OLZOCXBDSA-N 1 0 317.524 1.961 10 0 DDAERO C[C@@]1(c2ccccc2)CCN(CN2CC[N@@H+]3CCC[C@H]3C2)C1=O ZINC000249144306 698387884 /nfs/dbraw/zinc/38/78/84/698387884.db2.gz WZOQOGMHTFPGTR-HKUYNNGSSA-N 1 0 313.445 1.914 10 0 DDAERO C[NH2+][C@@H](C)CNC(=O)[C@@H](NC(=O)CC(C)C)c1ccccc1 ZINC000261717186 698434249 /nfs/dbraw/zinc/43/42/49/698434249.db2.gz KMINTYFTKACCFC-BBRMVZONSA-N 1 0 305.422 1.614 10 0 DDAERO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000261744346 698436077 /nfs/dbraw/zinc/43/60/77/698436077.db2.gz MTUWGPRSHOIZQQ-SSDOTTSWSA-N 1 0 314.304 1.731 10 0 DDAERO C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)C1([NH3+])CCOCC1 ZINC000261782393 698437379 /nfs/dbraw/zinc/43/73/79/698437379.db2.gz HPKKMSIJFCUPRP-GOEBONIOSA-N 1 0 302.418 1.974 10 0 DDAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000261787758 698437798 /nfs/dbraw/zinc/43/77/98/698437798.db2.gz QNXZPXXPXVLVPS-ZETCQYMHSA-N 1 0 302.787 1.103 10 0 DDAERO COc1cccc(COCc2noc(C[C@@H]3CC[NH2+]C3)n2)c1 ZINC000261863840 698441898 /nfs/dbraw/zinc/44/18/98/698441898.db2.gz YVUAZSXZJIPKNS-LBPRGKRZSA-N 1 0 303.362 1.947 10 0 DDAERO CCOC(=O)c1ccc(C)c(S(=O)(=O)NC[C@@H](C)[NH2+]C)c1 ZINC000261866677 698442445 /nfs/dbraw/zinc/44/24/45/698442445.db2.gz ZDAWJFLYXNLTJX-LLVKDONJSA-N 1 0 314.407 1.058 10 0 DDAERO C[C@@H]([NH3+])CN(C)c1ccc(F)cc1S(=O)(=O)C(F)(F)F ZINC000380281711 699061417 /nfs/dbraw/zinc/06/14/17/699061417.db2.gz BMFCPJXWDOERGJ-SSDOTTSWSA-N 1 0 314.304 1.903 10 0 DDAERO O=C(c1cc(Cl)nc(Cl)c1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000700770797 699222335 /nfs/dbraw/zinc/22/23/35/699222335.db2.gz IBFSZKLXPKXFDY-ZJUUUORDSA-N 1 0 316.188 1.591 10 0 DDAERO C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccccn1 ZINC000702760981 699232444 /nfs/dbraw/zinc/23/24/44/699232444.db2.gz FXDVZPJRYXWPPO-YDHLFZDLSA-N 1 0 321.421 1.960 10 0 DDAERO Cc1occc1C[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702836608 699233377 /nfs/dbraw/zinc/23/33/77/699233377.db2.gz HCKZAKVHKAJVOR-UONOGXRCSA-N 1 0 310.394 1.905 10 0 DDAERO O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCCC[C@H]1c1nccs1 ZINC000710606418 699254502 /nfs/dbraw/zinc/25/45/02/699254502.db2.gz YWUNCIGZQDBGAW-NEPJUHHUSA-N 1 0 315.464 1.752 10 0 DDAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+][C@@H]2COCC[C@H]2O)C1 ZINC000710949606 699255787 /nfs/dbraw/zinc/25/57/87/699255787.db2.gz ISUVTYDXHHKNOF-BFHYXJOUSA-N 1 0 314.426 1.373 10 0 DDAERO CO[C@H]1CN(C(=O)CC(F)(F)C(F)(F)F)[C@](C)(C[NH3+])C1 ZINC000713187174 699264928 /nfs/dbraw/zinc/26/49/28/699264928.db2.gz JLUUASMWZRHTEB-APPZFPTMSA-N 1 0 304.259 1.539 10 0 DDAERO CO[C@H]1CN(Cc2cn(C)nc2Br)[C@](C)(C[NH3+])C1 ZINC000714084830 699269878 /nfs/dbraw/zinc/26/98/78/699269878.db2.gz GFSASHADAHRTLX-PWSUYJOCSA-N 1 0 317.231 1.121 10 0 DDAERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C2CC(C(N)=O)C2)CC1 ZINC000716700281 699284176 /nfs/dbraw/zinc/28/41/76/699284176.db2.gz YJDKKTZRQZTCMD-CPCZMJQVSA-N 1 0 311.426 1.630 10 0 DDAERO NC(=O)C1CC([NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000716783411 699284390 /nfs/dbraw/zinc/28/43/90/699284390.db2.gz SUCKRMIDEZPDIO-QEWOUOOISA-N 1 0 313.195 1.336 10 0 DDAERO Cn1ncc(N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c(Cl)c1=O ZINC000717093339 699285884 /nfs/dbraw/zinc/28/58/84/699285884.db2.gz PBUNUEXYKYETPZ-BQBZGAKWSA-N 1 0 310.707 1.150 10 0 DDAERO C/C(=C\C(=O)N1C[C@@H]([NH+](C)C)[C@@H](n2ccnn2)C1)c1ccco1 ZINC000862937347 705830373 /nfs/dbraw/zinc/83/03/73/705830373.db2.gz YQTGFFLNXLRNDY-NEKXEHSPSA-N 1 0 315.377 1.288 10 0 DDAERO Cc1c([C@H]2[C@H]([NH2+]C/C=C\c3ccco3)CC(=O)N2C)cnn1C ZINC000886051594 708689307 /nfs/dbraw/zinc/68/93/07/708689307.db2.gz KOGBKFRRPGXKMA-AAQZWPSQSA-N 1 0 314.389 1.896 10 0 DDAERO CO[C@@H]1C[N@H+](CC2(O)CCC(C)CC2)C[C@H]1c1cn(C)nn1 ZINC000886071948 708692576 /nfs/dbraw/zinc/69/25/76/708692576.db2.gz RTCOOBXCWZEDPY-GOPBEWJXSA-N 1 0 308.426 1.171 10 0 DDAERO COc1ccc(CN(C)[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](OC)C2)nn1 ZINC000888103071 709214071 /nfs/dbraw/zinc/21/40/71/709214071.db2.gz DYQPLNFZBVKBFO-OAGGEKHMSA-N 1 0 320.437 1.559 10 0 DDAERO Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912903460 713118943 /nfs/dbraw/zinc/11/89/43/713118943.db2.gz QLUATQAWKOIMQQ-RRFJBIMHSA-N 1 0 318.421 1.194 10 0 DDAERO Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)C2)n1 ZINC000900604197 709673321 /nfs/dbraw/zinc/67/33/21/709673321.db2.gz RFTSDFSGABBRHE-VYDXJSESSA-N 1 0 320.437 1.119 10 0 DDAERO CCO[C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C12CCOCC2 ZINC000907447989 712574262 /nfs/dbraw/zinc/57/42/62/712574262.db2.gz PJMOIIKQZJGXPI-UONOGXRCSA-N 1 0 308.422 1.173 10 0 DDAERO