smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([C@H](C)NCCN2CCC([NH+](C)C)CC2)cc1F ZINC000160187244 197392283 /nfs/dbraw/zinc/39/22/83/197392283.db2.gz YQARYSJFJAJEJB-AWEZNQCLSA-N 1 3 323.456 2.511 20 70 DFIDHO CC[N@@H+]1CC[C@H](NC[C@@H](C)N2CCc3sccc3C2)[C@H](C)C1 ZINC000159854416 425968617 /nfs/dbraw/zinc/96/86/17/425968617.db2.gz ZLDXVJFBGIPANL-INMHGKMJSA-N 1 3 321.534 2.815 20 70 DFIDHO CC[N@H+]1CC[C@H](NC[C@@H](C)N2CCc3sccc3C2)[C@H](C)C1 ZINC000159854416 425968620 /nfs/dbraw/zinc/96/86/20/425968620.db2.gz ZLDXVJFBGIPANL-INMHGKMJSA-N 1 3 321.534 2.815 20 70 DFIDHO C[C@H](CN[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N1CCc2ccccc21 ZINC000159919275 425970556 /nfs/dbraw/zinc/97/05/56/425970556.db2.gz YKXCVOJUKJMIDS-KONPQCLYSA-N 1 3 301.478 2.756 20 70 DFIDHO C[C@H](CN[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N1CCc2ccccc21 ZINC000159919275 425970560 /nfs/dbraw/zinc/97/05/60/425970560.db2.gz YKXCVOJUKJMIDS-KONPQCLYSA-N 1 3 301.478 2.756 20 70 DFIDHO C[C@@H](CNC(=O)c1ccc(CN(C)C)cc1)C[NH+]1CCCCC1 ZINC000160690754 295394666 /nfs/dbraw/zinc/39/46/66/295394666.db2.gz CIUPWYLHAKAJGX-INIZCTEOSA-N 1 3 317.477 2.600 20 70 DFIDHO COC[C@H](C)[NH2+]CCCOC1CCN(Cc2ccccc2)CC1 ZINC000159756610 186139710 /nfs/dbraw/zinc/13/97/10/186139710.db2.gz MQESFCFOFUPSTL-KRWDZBQOSA-N 1 3 320.477 2.682 20 70 DFIDHO COC[C@@H](C)[NH2+]CCCOC1CCN(Cc2ccccc2)CC1 ZINC000159756745 186140000 /nfs/dbraw/zinc/14/00/00/186140000.db2.gz MQESFCFOFUPSTL-QGZVFWFLSA-N 1 3 320.477 2.682 20 70 DFIDHO CCCNC(=O)c1cccc(C[NH2+][C@H]2C[C@H](C)N(C)C[C@@H]2C)c1 ZINC000160594485 425989143 /nfs/dbraw/zinc/98/91/43/425989143.db2.gz NGTCSEYBRAJSQS-MPGHIAIKSA-N 1 3 317.477 2.645 20 70 DFIDHO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCN(C)Cc1ccc(F)cc1 ZINC000160084765 425973966 /nfs/dbraw/zinc/97/39/66/425973966.db2.gz OUXPIGNRKQBYNU-MOPGFXCFSA-N 1 3 319.468 2.816 20 70 DFIDHO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCN(C)Cc1ccc(F)cc1 ZINC000160084765 425973970 /nfs/dbraw/zinc/97/39/70/425973970.db2.gz OUXPIGNRKQBYNU-MOPGFXCFSA-N 1 3 319.468 2.816 20 70 DFIDHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCN(C)Cc1ccc(F)cc1 ZINC000160084765 425973972 /nfs/dbraw/zinc/97/39/72/425973972.db2.gz OUXPIGNRKQBYNU-MOPGFXCFSA-N 1 3 319.468 2.816 20 70 DFIDHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCN(C)Cc1ccc(F)cc1 ZINC000160084765 425973975 /nfs/dbraw/zinc/97/39/75/425973975.db2.gz OUXPIGNRKQBYNU-MOPGFXCFSA-N 1 3 319.468 2.816 20 70 DFIDHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cc(F)ccc1F ZINC000160168999 425974881 /nfs/dbraw/zinc/97/48/81/425974881.db2.gz VCLBICMWVBIINZ-CYBMUJFWSA-N 1 3 311.420 2.641 20 70 DFIDHO C(CN1CCCCC1)C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000161399715 426021810 /nfs/dbraw/zinc/02/18/10/426021810.db2.gz TZWLGHUXOLFXLG-LJQANCHMSA-N 1 3 324.509 2.913 20 70 DFIDHO CC[N@@H+]1CC[C@@H](NC[C@@H](C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000159803088 197365615 /nfs/dbraw/zinc/36/56/15/197365615.db2.gz XZNSYDBVDMKYOI-MBOZVWFJSA-N 1 3 315.505 2.753 20 70 DFIDHO CC[N@H+]1CC[C@@H](NC[C@@H](C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000159803088 197365617 /nfs/dbraw/zinc/36/56/17/197365617.db2.gz XZNSYDBVDMKYOI-MBOZVWFJSA-N 1 3 315.505 2.753 20 70 DFIDHO CCCCN(C)C(=O)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000160628751 425990246 /nfs/dbraw/zinc/99/02/46/425990246.db2.gz OTYLIYMXAYWPNH-UHFFFAOYSA-N 1 3 323.525 2.833 20 70 DFIDHO O=C(C1CC[NH+](CCCN2CCCCC2)CC1)N1CCCCC1 ZINC000161255348 426015476 /nfs/dbraw/zinc/01/54/76/426015476.db2.gz UZDMSHGFDANRBC-UHFFFAOYSA-N 1 3 321.509 2.587 20 70 DFIDHO C[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C1CCCC1 ZINC000161272533 426016121 /nfs/dbraw/zinc/01/61/21/426016121.db2.gz JISHLRJJMQZDOO-HNNXBMFYSA-N 1 3 317.477 2.646 20 70 DFIDHO COc1cc(C)c(C[N@H+](C)C[C@@H]2CCCN(C)C2)cc1OC ZINC000161307945 426019040 /nfs/dbraw/zinc/01/90/40/426019040.db2.gz KVFCAFVCFGGBRQ-OAHLLOKOSA-N 1 3 306.450 2.786 20 70 DFIDHO COc1cc(C)c(C[N@@H+](C)C[C@@H]2CCCN(C)C2)cc1OC ZINC000161307945 426019041 /nfs/dbraw/zinc/01/90/41/426019041.db2.gz KVFCAFVCFGGBRQ-OAHLLOKOSA-N 1 3 306.450 2.786 20 70 DFIDHO c1ccc(NC[C@H]2CC[N@@H+](CCCN3CCCCC3)C2)nc1 ZINC000161368631 426021526 /nfs/dbraw/zinc/02/15/26/426021526.db2.gz HGBMLAUFIIFLLM-QGZVFWFLSA-N 1 3 302.466 2.691 20 70 DFIDHO c1ccc(NC[C@H]2CC[N@H+](CCCN3CCCCC3)C2)nc1 ZINC000161368631 426021528 /nfs/dbraw/zinc/02/15/28/426021528.db2.gz HGBMLAUFIIFLLM-QGZVFWFLSA-N 1 3 302.466 2.691 20 70 DFIDHO COc1ccc([C@@H](C)NCCN2CCC([NH+](C)C)CC2)c(F)c1 ZINC000160166561 197390620 /nfs/dbraw/zinc/39/06/20/197390620.db2.gz VDHNCQJWOMOVHI-CQSZACIVSA-N 1 3 323.456 2.511 20 70 DFIDHO C[C@H](CN[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000159806258 197365407 /nfs/dbraw/zinc/36/54/07/197365407.db2.gz QLWADWUUINJXJH-VIPLHTEESA-N 1 3 315.505 2.752 20 70 DFIDHO C[C@H](CN[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000159806258 197365406 /nfs/dbraw/zinc/36/54/06/197365406.db2.gz QLWADWUUINJXJH-VIPLHTEESA-N 1 3 315.505 2.752 20 70 DFIDHO CN(C)Cc1ccc(C(=O)NCC[N@H+](C)C2CCCCC2)cc1 ZINC000161294677 426017577 /nfs/dbraw/zinc/01/75/77/426017577.db2.gz JYUIMDDXUGBXNY-UHFFFAOYSA-N 1 3 317.477 2.743 20 70 DFIDHO CN(C)Cc1ccc(C(=O)NCC[N@@H+](C)C2CCCCC2)cc1 ZINC000161294677 426017579 /nfs/dbraw/zinc/01/75/79/426017579.db2.gz JYUIMDDXUGBXNY-UHFFFAOYSA-N 1 3 317.477 2.743 20 70 DFIDHO Cc1cccc(NC[C@@H]2CCN(CCC[NH+]3CCCCC3)C2)n1 ZINC000161369175 426021481 /nfs/dbraw/zinc/02/14/81/426021481.db2.gz UHENUNLHPNJAQP-SFHVURJKSA-N 1 3 316.493 3.000 20 70 DFIDHO Cc1cccc(NC[C@@H]2CC[N@H+](CCCN3CCCCC3)C2)n1 ZINC000161369175 426021483 /nfs/dbraw/zinc/02/14/83/426021483.db2.gz UHENUNLHPNJAQP-SFHVURJKSA-N 1 3 316.493 3.000 20 70 DFIDHO Cc1cccc(NC[C@@H]2CC[N@@H+](CCCN3CCCCC3)C2)n1 ZINC000161369175 426021485 /nfs/dbraw/zinc/02/14/85/426021485.db2.gz UHENUNLHPNJAQP-SFHVURJKSA-N 1 3 316.493 3.000 20 70 DFIDHO CC[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C(C)C ZINC000161257942 295401034 /nfs/dbraw/zinc/40/10/34/295401034.db2.gz QXRJRWYRHWGJGX-KRWDZBQOSA-N 1 3 305.466 2.502 20 70 DFIDHO Cc1csc(N2CCC([NH2+][C@H]3CCC[C@H](N(C)C)C3)CC2)n1 ZINC000161028675 426005888 /nfs/dbraw/zinc/00/58/88/426005888.db2.gz LNJDYOICVUSOTF-HOTGVXAUSA-N 1 3 322.522 2.883 20 70 DFIDHO C[C@H]1C[C@@H]([N@H+](C)CCN(C)Cc2ccc(F)cc2)CCN1C ZINC000160000037 425972640 /nfs/dbraw/zinc/97/26/40/425972640.db2.gz XEPHGOFCBFCHEH-YJBOKZPZSA-N 1 3 307.457 2.672 20 70 DFIDHO C[C@H]1C[C@@H]([N@@H+](C)CCN(C)Cc2ccc(F)cc2)CCN1C ZINC000160000037 425972641 /nfs/dbraw/zinc/97/26/41/425972641.db2.gz XEPHGOFCBFCHEH-YJBOKZPZSA-N 1 3 307.457 2.672 20 70 DFIDHO C[C@H]1C[C@@H](N(C)CCN(C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000160000037 425972643 /nfs/dbraw/zinc/97/26/43/425972643.db2.gz XEPHGOFCBFCHEH-YJBOKZPZSA-N 1 3 307.457 2.672 20 70 DFIDHO C[C@H]1C[C@@H](N(C)CCN(C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000160000037 425972647 /nfs/dbraw/zinc/97/26/47/425972647.db2.gz XEPHGOFCBFCHEH-YJBOKZPZSA-N 1 3 307.457 2.672 20 70 DFIDHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)N1CCc2ccccc2C1 ZINC000159790135 278209760 /nfs/dbraw/zinc/20/97/60/278209760.db2.gz YSFBCRQXCGFIOV-FRQCXROJSA-N 1 3 301.478 2.506 20 70 DFIDHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)N1CCc2ccccc2C1 ZINC000159790135 278209761 /nfs/dbraw/zinc/20/97/61/278209761.db2.gz YSFBCRQXCGFIOV-FRQCXROJSA-N 1 3 301.478 2.506 20 70 DFIDHO CC(C)C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccccn1 ZINC000160163643 197390724 /nfs/dbraw/zinc/39/07/24/197390724.db2.gz BEJWXITYLOSLDI-IBGZPJMESA-N 1 3 318.509 2.784 20 70 DFIDHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCN(C)Cc1ccc(F)cc1 ZINC000160121334 197387553 /nfs/dbraw/zinc/38/75/53/197387553.db2.gz FWSVAERJFUFAIT-VKJFTORMSA-N 1 3 307.457 2.576 20 70 DFIDHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCN(C)Cc1ccc(F)cc1 ZINC000160121334 197387555 /nfs/dbraw/zinc/38/75/55/197387555.db2.gz FWSVAERJFUFAIT-VKJFTORMSA-N 1 3 307.457 2.576 20 70 DFIDHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCN(C)Cc1ccc(F)cc1 ZINC000160121334 197387557 /nfs/dbraw/zinc/38/75/57/197387557.db2.gz FWSVAERJFUFAIT-VKJFTORMSA-N 1 3 307.457 2.576 20 70 DFIDHO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cccc(OCCN(C)C)c1 ZINC000160514798 425984909 /nfs/dbraw/zinc/98/49/09/425984909.db2.gz BJLLOCTYMBCGHD-SUMDDJOVSA-N 1 3 320.477 2.829 20 70 DFIDHO CCCNC(=O)c1cccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)c1 ZINC000160594591 425989234 /nfs/dbraw/zinc/98/92/34/425989234.db2.gz NGTCSEYBRAJSQS-HDMKZQKVSA-N 1 3 317.477 2.645 20 70 DFIDHO C[C@@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc([S@](C)=O)cc1 ZINC000161089764 426008004 /nfs/dbraw/zinc/00/80/04/426008004.db2.gz JMWZRHKPNLLAQX-IDZOXIJSSA-N 1 3 308.491 2.947 20 70 DFIDHO CC[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C1CC1 ZINC000161226527 426013812 /nfs/dbraw/zinc/01/38/12/426013812.db2.gz FZNFLMSSOOBTPC-IBGZPJMESA-N 1 3 302.462 2.922 20 70 DFIDHO CCC[C@@H](C(=O)NCc1ccc(C[NH+](CC)CC)cc1)N(C)C ZINC000161293980 426017061 /nfs/dbraw/zinc/01/70/61/426017061.db2.gz HBWFNCBGLOSENP-SFHVURJKSA-N 1 3 319.493 2.875 20 70 DFIDHO C[NH+](C)C1CCN(CCN[C@@H]2CCCOc3ccccc32)CC1 ZINC000160240748 289069146 /nfs/dbraw/zinc/06/91/46/289069146.db2.gz BHGQGNPOEAFLQH-GOSISDBHSA-N 1 3 317.477 2.516 20 70 DFIDHO COc1ccc([C@H](C)NCCCC[N@@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000160673101 295236493 /nfs/dbraw/zinc/23/64/93/295236493.db2.gz JLNRNVBVMQOZHZ-LSDHHAIUSA-N 1 3 324.440 2.722 20 70 DFIDHO COc1ccc([C@H](C)NCCCC[N@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000160673101 295236494 /nfs/dbraw/zinc/23/64/94/295236494.db2.gz JLNRNVBVMQOZHZ-LSDHHAIUSA-N 1 3 324.440 2.722 20 70 DFIDHO C[C@@H]1CCCCN1CCC[NH2+]C1CCN(CC(F)F)CC1 ZINC000160266324 295388649 /nfs/dbraw/zinc/38/86/49/295388649.db2.gz GALPNKVELJWMFV-CQSZACIVSA-N 1 3 303.441 2.570 20 70 DFIDHO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(OCCN(C)C)cc1 ZINC000160455512 425982887 /nfs/dbraw/zinc/98/28/87/425982887.db2.gz ZHOBZMBTBPTZHD-SUMDDJOVSA-N 1 3 320.477 2.829 20 70 DFIDHO CC(C)[C@H](C)NC(=O)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000160761235 425995594 /nfs/dbraw/zinc/99/55/94/425995594.db2.gz NXHBHGCKKWCBNU-KRWDZBQOSA-N 1 3 323.525 2.735 20 70 DFIDHO C[C@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)N1CCc2ccccc2C1 ZINC000159790401 425967792 /nfs/dbraw/zinc/96/77/92/425967792.db2.gz YSFBCRQXCGFIOV-FCEWJHQRSA-N 1 3 301.478 2.506 20 70 DFIDHO C[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)N1CCc2ccccc2C1 ZINC000159790401 425967794 /nfs/dbraw/zinc/96/77/94/425967794.db2.gz YSFBCRQXCGFIOV-FCEWJHQRSA-N 1 3 301.478 2.506 20 70 DFIDHO C[C@@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000161078342 426007848 /nfs/dbraw/zinc/00/78/48/426007848.db2.gz KFNFUPAEOBEQKG-KBMXLJTQSA-N 1 3 304.434 2.981 20 70 DFIDHO CC(=O)NC1CCC(NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000161228683 426013714 /nfs/dbraw/zinc/01/37/14/426013714.db2.gz YEJZSXZFIBPFTA-UHFFFAOYSA-N 1 3 309.498 2.678 20 70 DFIDHO CC(=O)NC1CCC(NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000161228683 426013716 /nfs/dbraw/zinc/01/37/16/426013716.db2.gz YEJZSXZFIBPFTA-UHFFFAOYSA-N 1 3 309.498 2.678 20 70 DFIDHO CC(=O)NC1CCC([NH2+]CCCN(C)C2CCCCC2)CC1 ZINC000161228683 426013718 /nfs/dbraw/zinc/01/37/18/426013718.db2.gz YEJZSXZFIBPFTA-UHFFFAOYSA-N 1 3 309.498 2.678 20 70 DFIDHO C[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C(C)(C)C ZINC000161266171 426016004 /nfs/dbraw/zinc/01/60/04/426016004.db2.gz CIADVQSLWNSOHS-AWEZNQCLSA-N 1 3 305.466 2.502 20 70 DFIDHO CC(C)[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C1CC1 ZINC000161278121 426016027 /nfs/dbraw/zinc/01/60/27/426016027.db2.gz PHCVWZYPCHBCDZ-SFHVURJKSA-N 1 3 317.477 2.502 20 70 DFIDHO C[C@@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C1CCCC1 ZINC000161272657 426016524 /nfs/dbraw/zinc/01/65/24/426016524.db2.gz JISHLRJJMQZDOO-OAHLLOKOSA-N 1 3 317.477 2.646 20 70 DFIDHO O[C@@H](c1ccccc1)C1CC[NH+](CCCN2CCCC2)CC1 ZINC000161348740 426020934 /nfs/dbraw/zinc/02/09/34/426020934.db2.gz SZGRZLWWUKDHFW-IBGZPJMESA-N 1 3 302.462 2.918 20 70 DFIDHO COc1ccc([C@H](C)NCCN2CCC([NH+](C)C)CC2)c(F)c1 ZINC000160166463 197390997 /nfs/dbraw/zinc/39/09/97/197390997.db2.gz VDHNCQJWOMOVHI-AWEZNQCLSA-N 1 3 323.456 2.511 20 70 DFIDHO CCCCCNC(=O)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000160556243 425987387 /nfs/dbraw/zinc/98/73/87/425987387.db2.gz RKIJZUKWYTTXHP-UHFFFAOYSA-N 1 3 323.525 2.881 20 70 DFIDHO CCCNC(=O)c1cccc(C[NH2+][C@H]2C[C@@H](C)N(C)C[C@@H]2C)c1 ZINC000160594670 425988950 /nfs/dbraw/zinc/98/89/50/425988950.db2.gz NGTCSEYBRAJSQS-DAYGRLMNSA-N 1 3 317.477 2.645 20 70 DFIDHO CCc1nccn1[C@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000160979278 426003909 /nfs/dbraw/zinc/00/39/09/426003909.db2.gz NLSSTPSXBOXHHJ-KRWDZBQOSA-N 1 3 304.482 2.958 20 70 DFIDHO CCc1nccn1[C@H]1CCC[N@H+](CCCN2CCCCC2)C1 ZINC000160979278 426003910 /nfs/dbraw/zinc/00/39/10/426003910.db2.gz NLSSTPSXBOXHHJ-KRWDZBQOSA-N 1 3 304.482 2.958 20 70 DFIDHO CCc1nccn1[C@H]1CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000160979278 426003911 /nfs/dbraw/zinc/00/39/11/426003911.db2.gz NLSSTPSXBOXHHJ-KRWDZBQOSA-N 1 3 304.482 2.958 20 70 DFIDHO CC[NH+](CC)[C@@H]1CCN(CCN(C)Cc2ccc(F)cc2)C1 ZINC000159908276 425970943 /nfs/dbraw/zinc/97/09/43/425970943.db2.gz QYEXDDHOXZGCEN-GOSISDBHSA-N 1 3 307.457 2.674 20 70 DFIDHO CCN(C)C[C@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000160021505 425973541 /nfs/dbraw/zinc/97/35/41/425973541.db2.gz DIECKHLMLLMGCY-QGZVFWFLSA-N 1 3 323.525 2.545 20 70 DFIDHO CCN(C)C[C@H]1CC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000160021505 425973542 /nfs/dbraw/zinc/97/35/42/425973542.db2.gz DIECKHLMLLMGCY-QGZVFWFLSA-N 1 3 323.525 2.545 20 70 DFIDHO CC[N@H+](C)C[C@H]1CCN(CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000160021505 425973544 /nfs/dbraw/zinc/97/35/44/425973544.db2.gz DIECKHLMLLMGCY-QGZVFWFLSA-N 1 3 323.525 2.545 20 70 DFIDHO CC[N@@H+](C)C[C@H]1CCN(CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000160021505 425973547 /nfs/dbraw/zinc/97/35/47/425973547.db2.gz DIECKHLMLLMGCY-QGZVFWFLSA-N 1 3 323.525 2.545 20 70 DFIDHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1cc(F)ccc1F ZINC000160168860 425975153 /nfs/dbraw/zinc/97/51/53/425975153.db2.gz VCLBICMWVBIINZ-ZDUSSCGKSA-N 1 3 311.420 2.641 20 70 DFIDHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(F)cc(F)c2)C[C@@H](C)O1 ZINC000161187819 426012681 /nfs/dbraw/zinc/01/26/81/426012681.db2.gz SGUJVHGTXZREGL-ZIAGYGMSSA-N 1 3 312.404 2.944 20 70 DFIDHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(F)cc(F)c2)C[C@H](C)O1 ZINC000161187570 426013053 /nfs/dbraw/zinc/01/30/53/426013053.db2.gz SGUJVHGTXZREGL-OKILXGFUSA-N 1 3 312.404 2.944 20 70 DFIDHO C(CN1CCCCC1)C[NH+]1CCC(OC2CCOCC2)CC1 ZINC000161375325 426022205 /nfs/dbraw/zinc/02/22/05/426022205.db2.gz UMNZAJCATMGYEB-UHFFFAOYSA-N 1 3 310.482 2.522 20 70 DFIDHO CCN1CC[C@H]([NH2+]C[C@@H](C)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000160860761 425999440 /nfs/dbraw/zinc/99/94/40/425999440.db2.gz AZXZTMMQXRTYOE-LMMKCTJWSA-N 1 3 303.494 2.827 20 70 DFIDHO CC[N@@H+]1CC[C@H](NC[C@@H](C)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000160860761 425999442 /nfs/dbraw/zinc/99/94/42/425999442.db2.gz AZXZTMMQXRTYOE-LMMKCTJWSA-N 1 3 303.494 2.827 20 70 DFIDHO CC[N@H+]1CC[C@H](NC[C@@H](C)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000160860761 425999445 /nfs/dbraw/zinc/99/94/45/425999445.db2.gz AZXZTMMQXRTYOE-LMMKCTJWSA-N 1 3 303.494 2.827 20 70 DFIDHO C[C@@H]1C[C@H]([N@H+](C)CCN(C)Cc2ccc(F)cc2)CCN1C ZINC000159999636 425973260 /nfs/dbraw/zinc/97/32/60/425973260.db2.gz XEPHGOFCBFCHEH-CRAIPNDOSA-N 1 3 307.457 2.672 20 70 DFIDHO C[C@@H]1C[C@H]([N@@H+](C)CCN(C)Cc2ccc(F)cc2)CCN1C ZINC000159999636 425973263 /nfs/dbraw/zinc/97/32/63/425973263.db2.gz XEPHGOFCBFCHEH-CRAIPNDOSA-N 1 3 307.457 2.672 20 70 DFIDHO C[C@@H]1C[C@H](N(C)CCN(C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000159999636 425973265 /nfs/dbraw/zinc/97/32/65/425973265.db2.gz XEPHGOFCBFCHEH-CRAIPNDOSA-N 1 3 307.457 2.672 20 70 DFIDHO C[C@@H]1C[C@H](N(C)CCN(C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000159999636 425973268 /nfs/dbraw/zinc/97/32/68/425973268.db2.gz XEPHGOFCBFCHEH-CRAIPNDOSA-N 1 3 307.457 2.672 20 70 DFIDHO CCC[C@H](C(=O)NCc1ccccc1C[NH+](CC)CC)N(C)C ZINC000161311497 426018811 /nfs/dbraw/zinc/01/88/11/426018811.db2.gz URWKFBCBXBGHIO-GOSISDBHSA-N 1 3 319.493 2.875 20 70 DFIDHO C[C@H](CNC(=O)c1ccc(CN(C)C)cc1)C[NH+]1CCCCC1 ZINC000160690880 295394684 /nfs/dbraw/zinc/39/46/84/295394684.db2.gz CIUPWYLHAKAJGX-MRXNPFEDSA-N 1 3 317.477 2.600 20 70 DFIDHO CCCN1CCC([NH2+]C[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000160849023 542725531 /nfs/dbraw/zinc/72/55/31/542725531.db2.gz RJQADSHKPGVQKJ-KRWDZBQOSA-N 1 3 303.494 2.971 20 70 DFIDHO CCC[NH+]1CCC(NC[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000160849023 542725534 /nfs/dbraw/zinc/72/55/34/542725534.db2.gz RJQADSHKPGVQKJ-KRWDZBQOSA-N 1 3 303.494 2.971 20 70 DFIDHO C[C@@H]1C[C@@H]([N@H+](C)CCN(C)Cc2ccc(F)cc2)CCN1C ZINC000159999900 425972825 /nfs/dbraw/zinc/97/28/25/425972825.db2.gz XEPHGOFCBFCHEH-QAPCUYQASA-N 1 3 307.457 2.672 20 70 DFIDHO C[C@@H]1C[C@@H]([N@@H+](C)CCN(C)Cc2ccc(F)cc2)CCN1C ZINC000159999900 425972829 /nfs/dbraw/zinc/97/28/29/425972829.db2.gz XEPHGOFCBFCHEH-QAPCUYQASA-N 1 3 307.457 2.672 20 70 DFIDHO C[C@@H]1C[C@@H](N(C)CCN(C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000159999900 425972831 /nfs/dbraw/zinc/97/28/31/425972831.db2.gz XEPHGOFCBFCHEH-QAPCUYQASA-N 1 3 307.457 2.672 20 70 DFIDHO C[C@@H]1C[C@@H](N(C)CCN(C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000159999900 425972833 /nfs/dbraw/zinc/97/28/33/425972833.db2.gz XEPHGOFCBFCHEH-QAPCUYQASA-N 1 3 307.457 2.672 20 70 DFIDHO C[NH+](C)CCCC1CC[NH+](Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000160001146 524051951 /nfs/dbraw/zinc/05/19/51/524051951.db2.gz JUZJIBDBSSNLOC-UHFFFAOYSA-N 1 3 320.433 2.675 20 70 DFIDHO CCCN1CCC([NH2+]CCN(C)Cc2ccc(F)cc2)CC1 ZINC000160107474 542720814 /nfs/dbraw/zinc/72/08/14/542720814.db2.gz VUSJQQFDLKNVPO-UHFFFAOYSA-N 1 3 307.457 2.722 20 70 DFIDHO CCC[NH+]1CCC(NCCN(C)Cc2ccc(F)cc2)CC1 ZINC000160107474 542720818 /nfs/dbraw/zinc/72/08/18/542720818.db2.gz VUSJQQFDLKNVPO-UHFFFAOYSA-N 1 3 307.457 2.722 20 70 DFIDHO CCCNC(=O)c1cccc(C[NH2+][C@H]2CCN(CC)C[C@@H]2C)c1 ZINC000160585153 425988517 /nfs/dbraw/zinc/98/85/17/425988517.db2.gz JAWOTQAROGZZSE-YJBOKZPZSA-N 1 3 317.477 2.646 20 70 DFIDHO C[C@H](C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000160863869 425999260 /nfs/dbraw/zinc/99/92/60/425999260.db2.gz VXLXETCUIYUADR-SFNKJDCFSA-N 1 3 303.494 2.825 20 70 DFIDHO C[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000160863869 425999263 /nfs/dbraw/zinc/99/92/63/425999263.db2.gz VXLXETCUIYUADR-SFNKJDCFSA-N 1 3 303.494 2.825 20 70 DFIDHO C[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000160863869 425999266 /nfs/dbraw/zinc/99/92/66/425999266.db2.gz VXLXETCUIYUADR-SFNKJDCFSA-N 1 3 303.494 2.825 20 70 DFIDHO CC[N@H+](C)C[C@H]1CCN(CCN(C)Cc2ccc(F)cc2)C1 ZINC000160021223 425973169 /nfs/dbraw/zinc/97/31/69/425973169.db2.gz XXGMQLSASYSDBA-QGZVFWFLSA-N 1 3 307.457 2.531 20 70 DFIDHO CC[N@@H+](C)C[C@H]1CCN(CCN(C)Cc2ccc(F)cc2)C1 ZINC000160021223 425973173 /nfs/dbraw/zinc/97/31/73/425973173.db2.gz XXGMQLSASYSDBA-QGZVFWFLSA-N 1 3 307.457 2.531 20 70 DFIDHO C[C@H](NC1CC[NH+](C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000161442349 426024750 /nfs/dbraw/zinc/02/47/50/426024750.db2.gz YFUPUNPCVHUVEP-LBPRGKRZSA-N 1 3 301.434 2.661 20 70 DFIDHO C[C@H](C[NH2+][C@H]1C[C@H](C)N(C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000160863635 279354385 /nfs/dbraw/zinc/35/43/85/279354385.db2.gz VXLXETCUIYUADR-NTDBWNAOSA-N 1 3 303.494 2.825 20 70 DFIDHO C[C@H](CN[C@H]1C[C@H](C)[N@H+](C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000160863635 279354386 /nfs/dbraw/zinc/35/43/86/279354386.db2.gz VXLXETCUIYUADR-NTDBWNAOSA-N 1 3 303.494 2.825 20 70 DFIDHO C[C@H](CN[C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000160863635 279354387 /nfs/dbraw/zinc/35/43/87/279354387.db2.gz VXLXETCUIYUADR-NTDBWNAOSA-N 1 3 303.494 2.825 20 70 DFIDHO CN(CCN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)Cc1ccc(F)cc1 ZINC000160287295 522840036 /nfs/dbraw/zinc/84/00/36/522840036.db2.gz DANRBUAGTDNIAP-MJGOQNOKSA-N 1 3 319.468 2.674 20 70 DFIDHO CN(CCN1CC[C@H]2[C@H](CCC[N@H+]2C)C1)Cc1ccc(F)cc1 ZINC000160287295 522840047 /nfs/dbraw/zinc/84/00/47/522840047.db2.gz DANRBUAGTDNIAP-MJGOQNOKSA-N 1 3 319.468 2.674 20 70 DFIDHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cc(F)cc(F)c1 ZINC000160229884 197393936 /nfs/dbraw/zinc/39/39/36/197393936.db2.gz LSUYOOPTEPNYIP-CYBMUJFWSA-N 1 3 311.420 2.641 20 70 DFIDHO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cccc(OCCN(C)C)c1 ZINC000160514670 425985100 /nfs/dbraw/zinc/98/51/00/425985100.db2.gz BJLLOCTYMBCGHD-WDYCEAGBSA-N 1 3 320.477 2.829 20 70 DFIDHO COc1ccc([C@@H](C)NCCCC[N@@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000160673244 425992192 /nfs/dbraw/zinc/99/21/92/425992192.db2.gz JLNRNVBVMQOZHZ-HUUCEWRRSA-N 1 3 324.440 2.722 20 70 DFIDHO COc1ccc([C@@H](C)NCCCC[N@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000160673244 425992194 /nfs/dbraw/zinc/99/21/94/425992194.db2.gz JLNRNVBVMQOZHZ-HUUCEWRRSA-N 1 3 324.440 2.722 20 70 DFIDHO CCn1cc(C2CC[NH+](CCCN3CCCCC3)CC2)cn1 ZINC000161310979 426018109 /nfs/dbraw/zinc/01/81/09/426018109.db2.gz GBRZIARBVFNQJL-UHFFFAOYSA-N 1 3 304.482 2.958 20 70 DFIDHO CC[N@@H+]1CC[C@H](NC[C@@H](C)N2CCc3ccccc32)[C@H](C)C1 ZINC000159914589 276228579 /nfs/dbraw/zinc/22/85/79/276228579.db2.gz JIPLQTHWIHISBU-NUJGCVRESA-N 1 3 301.478 2.758 20 70 DFIDHO CC[N@H+]1CC[C@H](NC[C@@H](C)N2CCc3ccccc32)[C@H](C)C1 ZINC000159914589 276228581 /nfs/dbraw/zinc/22/85/81/276228581.db2.gz JIPLQTHWIHISBU-NUJGCVRESA-N 1 3 301.478 2.758 20 70 DFIDHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(-n2cncn2)cc1 ZINC000161133232 295398926 /nfs/dbraw/zinc/39/89/26/295398926.db2.gz RFQHRFIGCPXMIM-ZVZYQTTQSA-N 1 3 313.449 2.791 20 70 DFIDHO C[C@H](CN[C@H]1C[C@H](C)[N@H+](C)C[C@H]1C)N1CCc2sccc2C1 ZINC000159858707 425968798 /nfs/dbraw/zinc/96/87/98/425968798.db2.gz FPNMRPBZGPCWFT-DLTWYDFYSA-N 1 3 321.534 2.813 20 70 DFIDHO C[C@H](CN[C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)N1CCc2sccc2C1 ZINC000159858707 425968803 /nfs/dbraw/zinc/96/88/03/425968803.db2.gz FPNMRPBZGPCWFT-DLTWYDFYSA-N 1 3 321.534 2.813 20 70 DFIDHO CCc1nc(C)c([C@@H](C)NCCN2CCC([NH+](C)C)CC2)s1 ZINC000160159908 425975702 /nfs/dbraw/zinc/97/57/02/425975702.db2.gz DURZLUOQOPQWHP-CYBMUJFWSA-N 1 3 324.538 2.691 20 70 DFIDHO C[C@@H](CNC(=O)c1ccc(CN(C)C)cc1)[NH+]1CCC(C)CC1 ZINC000161403462 426022467 /nfs/dbraw/zinc/02/24/67/426022467.db2.gz PZGPHENFLQATNE-INIZCTEOSA-N 1 3 317.477 2.598 20 70 DFIDHO O[C@H](c1ccccc1)C1CC[NH+](CCCN2CCCC2)CC1 ZINC000161348861 426020702 /nfs/dbraw/zinc/02/07/02/426020702.db2.gz SZGRZLWWUKDHFW-LJQANCHMSA-N 1 3 302.462 2.918 20 70 DFIDHO CCN(CCN[C@H]1CC[N@H+](CC)C[C@H]1C)C(=O)OC(C)(C)C ZINC000159457035 295376761 /nfs/dbraw/zinc/37/67/61/295376761.db2.gz JLGNAWJGALMVGR-CABCVRRESA-N 1 3 313.486 2.563 20 70 DFIDHO CCN(CCN[C@H]1CC[N@@H+](CC)C[C@H]1C)C(=O)OC(C)(C)C ZINC000159457035 295376762 /nfs/dbraw/zinc/37/67/62/295376762.db2.gz JLGNAWJGALMVGR-CABCVRRESA-N 1 3 313.486 2.563 20 70 DFIDHO CCCN1CCC([NH2+]C[C@@H](C)N2CCc3ccccc3C2)CC1 ZINC000159782124 542719578 /nfs/dbraw/zinc/71/95/78/542719578.db2.gz FBGBZLCWRUVXNF-QGZVFWFLSA-N 1 3 315.505 2.897 20 70 DFIDHO CCC[NH+]1CCC(NC[C@@H](C)N2CCc3ccccc3C2)CC1 ZINC000159782124 542719579 /nfs/dbraw/zinc/71/95/79/542719579.db2.gz FBGBZLCWRUVXNF-QGZVFWFLSA-N 1 3 315.505 2.897 20 70 DFIDHO Cc1csc(N2CCC([NH2+][C@@H]3CCC[C@@H](N(C)C)C3)CC2)n1 ZINC000161028795 426005849 /nfs/dbraw/zinc/00/58/49/426005849.db2.gz LNJDYOICVUSOTF-HZPDHXFCSA-N 1 3 322.522 2.883 20 70 DFIDHO CC[C@@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C(C)C ZINC000161258062 426015169 /nfs/dbraw/zinc/01/51/69/426015169.db2.gz QXRJRWYRHWGJGX-QGZVFWFLSA-N 1 3 305.466 2.502 20 70 DFIDHO CCC[C@H](C(=O)NCc1ccc(C[NH+](CC)CC)cc1)N(C)C ZINC000161294104 295401368 /nfs/dbraw/zinc/40/13/68/295401368.db2.gz HBWFNCBGLOSENP-GOSISDBHSA-N 1 3 319.493 2.875 20 70 DFIDHO CC(C)(C)C[C@H]1CCC[N@@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000160530644 425986328 /nfs/dbraw/zinc/98/63/28/425986328.db2.gz UYGMGNRDOQZRDF-QGZVFWFLSA-N 1 3 321.509 2.630 20 70 DFIDHO CC(C)(C)C[C@H]1CCC[N@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000160530644 425986330 /nfs/dbraw/zinc/98/63/30/425986330.db2.gz UYGMGNRDOQZRDF-QGZVFWFLSA-N 1 3 321.509 2.630 20 70 DFIDHO CC(C)[C@@H](C)NC(=O)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000160761114 425995724 /nfs/dbraw/zinc/99/57/24/425995724.db2.gz NXHBHGCKKWCBNU-QGZVFWFLSA-N 1 3 323.525 2.735 20 70 DFIDHO COc1ccc([C@@H](C)NCCN2CCC([NH+](C)C)CC2)cc1F ZINC000160187393 425976414 /nfs/dbraw/zinc/97/64/14/425976414.db2.gz YQARYSJFJAJEJB-CQSZACIVSA-N 1 3 323.456 2.511 20 70 DFIDHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc([S@](C)=O)cc1 ZINC000161089640 426007486 /nfs/dbraw/zinc/00/74/86/426007486.db2.gz JMWZRHKPNLLAQX-NHDNYEFZSA-N 1 3 308.491 2.947 20 70 DFIDHO CCC[C@@H](C(=O)NCc1ccccc1C[NH+](CC)CC)N(C)C ZINC000161311399 426018540 /nfs/dbraw/zinc/01/85/40/426018540.db2.gz URWKFBCBXBGHIO-SFHVURJKSA-N 1 3 319.493 2.875 20 70 DFIDHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C)nc2)[C@H](C)C1 ZINC000161282475 542727914 /nfs/dbraw/zinc/72/79/14/542727914.db2.gz JPAMXQAQVQTEMY-CRAIPNDOSA-N 1 3 305.466 2.617 20 70 DFIDHO C[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1cccnc1Cl ZINC000160693579 425992352 /nfs/dbraw/zinc/99/23/52/425992352.db2.gz ZKKYZRQCKKLOHI-UONOGXRCSA-N 1 3 311.857 2.623 20 70 DFIDHO C[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1cccnc1Cl ZINC000160693579 425992355 /nfs/dbraw/zinc/99/23/55/425992355.db2.gz ZKKYZRQCKKLOHI-UONOGXRCSA-N 1 3 311.857 2.623 20 70 DFIDHO C[NH+](C)C1CCN(CCN[C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000160198022 425976454 /nfs/dbraw/zinc/97/64/54/425976454.db2.gz GEZCMPBUYDEEAC-KRWDZBQOSA-N 1 3 319.493 2.909 20 70 DFIDHO CCOc1ccccc1[C@H](C)NCCN1CCC([NH+](C)C)CC1 ZINC000160264721 425977326 /nfs/dbraw/zinc/97/73/26/425977326.db2.gz QREOYHKBYBHOHC-INIZCTEOSA-N 1 3 319.493 2.762 20 70 DFIDHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000161078201 426007375 /nfs/dbraw/zinc/00/73/75/426007375.db2.gz KFNFUPAEOBEQKG-BPUTZDHNSA-N 1 3 304.434 2.981 20 70 DFIDHO CCN(CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000159459112 295377006 /nfs/dbraw/zinc/37/70/06/295377006.db2.gz KCJPFXZQVVQVGK-RRFJBIMHSA-N 1 3 313.486 2.562 20 70 DFIDHO CCN(CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000159459112 295377008 /nfs/dbraw/zinc/37/70/08/295377008.db2.gz KCJPFXZQVVQVGK-RRFJBIMHSA-N 1 3 313.486 2.562 20 70 DFIDHO C[C@H](CN[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N1CCc2sccc2C1 ZINC000159858543 425969123 /nfs/dbraw/zinc/96/91/23/425969123.db2.gz FPNMRPBZGPCWFT-ANQUJSFKSA-N 1 3 321.534 2.813 20 70 DFIDHO C[C@H](CN[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N1CCc2sccc2C1 ZINC000159858543 425969126 /nfs/dbraw/zinc/96/91/26/425969126.db2.gz FPNMRPBZGPCWFT-ANQUJSFKSA-N 1 3 321.534 2.813 20 70 DFIDHO CCN(C)C[C@@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000160021348 425972509 /nfs/dbraw/zinc/97/25/09/425972509.db2.gz DIECKHLMLLMGCY-KRWDZBQOSA-N 1 3 323.525 2.545 20 70 DFIDHO CCN(C)C[C@@H]1CC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000160021348 425972511 /nfs/dbraw/zinc/97/25/11/425972511.db2.gz DIECKHLMLLMGCY-KRWDZBQOSA-N 1 3 323.525 2.545 20 70 DFIDHO CC[N@H+](C)C[C@@H]1CCN(CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000160021348 425972514 /nfs/dbraw/zinc/97/25/14/425972514.db2.gz DIECKHLMLLMGCY-KRWDZBQOSA-N 1 3 323.525 2.545 20 70 DFIDHO CC[N@@H+](C)C[C@@H]1CCN(CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000160021348 425972517 /nfs/dbraw/zinc/97/25/17/425972517.db2.gz DIECKHLMLLMGCY-KRWDZBQOSA-N 1 3 323.525 2.545 20 70 DFIDHO C[C@H]1C[C@H]([N@H+](C)CCN(C)Cc2ccc(F)cc2)CCN1C ZINC000159999767 425972882 /nfs/dbraw/zinc/97/28/82/425972882.db2.gz XEPHGOFCBFCHEH-MAUKXSAKSA-N 1 3 307.457 2.672 20 70 DFIDHO C[C@H]1C[C@H]([N@@H+](C)CCN(C)Cc2ccc(F)cc2)CCN1C ZINC000159999767 425972885 /nfs/dbraw/zinc/97/28/85/425972885.db2.gz XEPHGOFCBFCHEH-MAUKXSAKSA-N 1 3 307.457 2.672 20 70 DFIDHO C[C@H]1C[C@H](N(C)CCN(C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000159999767 425972889 /nfs/dbraw/zinc/97/28/89/425972889.db2.gz XEPHGOFCBFCHEH-MAUKXSAKSA-N 1 3 307.457 2.672 20 70 DFIDHO C[C@H]1C[C@H](N(C)CCN(C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000159999767 425972891 /nfs/dbraw/zinc/97/28/91/425972891.db2.gz XEPHGOFCBFCHEH-MAUKXSAKSA-N 1 3 307.457 2.672 20 70 DFIDHO CN(CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)Cc1ccc(F)cc1 ZINC000160287156 425978413 /nfs/dbraw/zinc/97/84/13/425978413.db2.gz DANRBUAGTDNIAP-HKUYNNGSSA-N 1 3 319.468 2.674 20 70 DFIDHO CN(CCN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)Cc1ccc(F)cc1 ZINC000160287156 425978417 /nfs/dbraw/zinc/97/84/17/425978417.db2.gz DANRBUAGTDNIAP-HKUYNNGSSA-N 1 3 319.468 2.674 20 70 DFIDHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000161077953 426007964 /nfs/dbraw/zinc/00/79/64/426007964.db2.gz KFNFUPAEOBEQKG-IMJJTQAJSA-N 1 3 304.434 2.981 20 70 DFIDHO CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000161208234 426013651 /nfs/dbraw/zinc/01/36/51/426013651.db2.gz LOZIUZIJHVWIDK-GJZGRUSLSA-N 1 3 305.466 2.502 20 70 DFIDHO C[C@@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C(C)(C)C ZINC000161266305 426016419 /nfs/dbraw/zinc/01/64/19/426016419.db2.gz CIADVQSLWNSOHS-CQSZACIVSA-N 1 3 305.466 2.502 20 70 DFIDHO CCN(CCN[C@@H]1CC[N@H+](CC)C[C@H]1C)C(=O)OC(C)(C)C ZINC000159457184 295376979 /nfs/dbraw/zinc/37/69/79/295376979.db2.gz JLGNAWJGALMVGR-HUUCEWRRSA-N 1 3 313.486 2.563 20 70 DFIDHO CCN(CCN[C@@H]1CC[N@@H+](CC)C[C@H]1C)C(=O)OC(C)(C)C ZINC000159457184 295376982 /nfs/dbraw/zinc/37/69/82/295376982.db2.gz JLGNAWJGALMVGR-HUUCEWRRSA-N 1 3 313.486 2.563 20 70 DFIDHO CC(C)C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccccn1 ZINC000160163764 197390370 /nfs/dbraw/zinc/39/03/70/197390370.db2.gz BEJWXITYLOSLDI-LJQANCHMSA-N 1 3 318.509 2.784 20 70 DFIDHO COc1cc(C)c(C[N@H+](C)C[C@H]2CCCN(C)C2)cc1OC ZINC000161308080 286205538 /nfs/dbraw/zinc/20/55/38/286205538.db2.gz KVFCAFVCFGGBRQ-HNNXBMFYSA-N 1 3 306.450 2.786 20 70 DFIDHO COc1cc(C)c(C[N@@H+](C)C[C@H]2CCCN(C)C2)cc1OC ZINC000161308080 286205539 /nfs/dbraw/zinc/20/55/39/286205539.db2.gz KVFCAFVCFGGBRQ-HNNXBMFYSA-N 1 3 306.450 2.786 20 70 DFIDHO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(OCCN(C)C)cc1 ZINC000160455122 425983234 /nfs/dbraw/zinc/98/32/34/425983234.db2.gz ZHOBZMBTBPTZHD-IEZWGBDMSA-N 1 3 320.477 2.829 20 70 DFIDHO CCN(CC)C(=O)C[C@@H](C)NC1CC[NH+](C2CCCC2)CC1 ZINC000160499866 425984832 /nfs/dbraw/zinc/98/48/32/425984832.db2.gz VBGLIHWYJYWKGH-OAHLLOKOSA-N 1 3 309.498 2.630 20 70 DFIDHO CCN(CC)C(=O)C[C@@H](C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000160499866 425984834 /nfs/dbraw/zinc/98/48/34/425984834.db2.gz VBGLIHWYJYWKGH-OAHLLOKOSA-N 1 3 309.498 2.630 20 70 DFIDHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1cccnc1Cl ZINC000160693704 425992289 /nfs/dbraw/zinc/99/22/89/425992289.db2.gz ZKKYZRQCKKLOHI-ZIAGYGMSSA-N 1 3 311.857 2.623 20 70 DFIDHO C[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1cccnc1Cl ZINC000160693704 425992291 /nfs/dbraw/zinc/99/22/91/425992291.db2.gz ZKKYZRQCKKLOHI-ZIAGYGMSSA-N 1 3 311.857 2.623 20 70 DFIDHO CC[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccccc1OC ZINC000160267941 425977458 /nfs/dbraw/zinc/97/74/58/425977458.db2.gz KPEVKIUCPPNXPD-GOSISDBHSA-N 1 3 319.493 2.762 20 70 DFIDHO Cc1cccc(NC[C@H]2CCN(CCC[NH+]3CCCCC3)C2)n1 ZINC000161369304 426021249 /nfs/dbraw/zinc/02/12/49/426021249.db2.gz UHENUNLHPNJAQP-GOSISDBHSA-N 1 3 316.493 3.000 20 70 DFIDHO Cc1cccc(NC[C@H]2CC[N@H+](CCCN3CCCCC3)C2)n1 ZINC000161369304 426021251 /nfs/dbraw/zinc/02/12/51/426021251.db2.gz UHENUNLHPNJAQP-GOSISDBHSA-N 1 3 316.493 3.000 20 70 DFIDHO Cc1cccc(NC[C@H]2CC[N@@H+](CCCN3CCCCC3)C2)n1 ZINC000161369304 426021253 /nfs/dbraw/zinc/02/12/53/426021253.db2.gz UHENUNLHPNJAQP-GOSISDBHSA-N 1 3 316.493 3.000 20 70 DFIDHO CC1(C)CC([NH2+]C2CCN(CC(F)F)CC2)CC(C)(C)N1 ZINC000159611581 295378908 /nfs/dbraw/zinc/37/89/08/295378908.db2.gz YJCBVNKBFFGQJO-UHFFFAOYSA-N 1 3 303.441 2.615 20 70 DFIDHO CC1(C)CC(NC2CCN(CC(F)F)CC2)CC(C)(C)[NH2+]1 ZINC000159611581 295378911 /nfs/dbraw/zinc/37/89/11/295378911.db2.gz YJCBVNKBFFGQJO-UHFFFAOYSA-N 1 3 303.441 2.615 20 70 DFIDHO CCN(CC)C(=O)C[C@H](C)NC1CC[NH+](C2CCCC2)CC1 ZINC000160499986 425985243 /nfs/dbraw/zinc/98/52/43/425985243.db2.gz VBGLIHWYJYWKGH-HNNXBMFYSA-N 1 3 309.498 2.630 20 70 DFIDHO CCN(CC)C(=O)C[C@H](C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000160499986 425985245 /nfs/dbraw/zinc/98/52/45/425985245.db2.gz VBGLIHWYJYWKGH-HNNXBMFYSA-N 1 3 309.498 2.630 20 70 DFIDHO CCC[C@@H](C(=O)NC1CCN(Cc2ccsc2)CC1)[NH+](C)C ZINC000159659206 425965130 /nfs/dbraw/zinc/96/51/30/425965130.db2.gz CTFOHLYGIMSICM-INIZCTEOSA-N 1 3 323.506 2.559 20 70 DFIDHO CC[N@@H+]1CC[C@@H](NC[C@@H](C)N2CCc3sccc3C2)[C@H](C)C1 ZINC000159854533 425968483 /nfs/dbraw/zinc/96/84/83/425968483.db2.gz ZLDXVJFBGIPANL-BFYDXBDKSA-N 1 3 321.534 2.815 20 70 DFIDHO CC[N@H+]1CC[C@@H](NC[C@@H](C)N2CCc3sccc3C2)[C@H](C)C1 ZINC000159854533 425968486 /nfs/dbraw/zinc/96/84/86/425968486.db2.gz ZLDXVJFBGIPANL-BFYDXBDKSA-N 1 3 321.534 2.815 20 70 DFIDHO C[C@H](CN[C@H]1C[C@H](C)[N@H+](C)C[C@H]1C)N1CCc2ccccc21 ZINC000159919417 425970311 /nfs/dbraw/zinc/97/03/11/425970311.db2.gz YKXCVOJUKJMIDS-HPFXQQBRSA-N 1 3 301.478 2.756 20 70 DFIDHO C[C@H](CN[C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)N1CCc2ccccc21 ZINC000159919417 425970312 /nfs/dbraw/zinc/97/03/12/425970312.db2.gz YKXCVOJUKJMIDS-HPFXQQBRSA-N 1 3 301.478 2.756 20 70 DFIDHO C[C@@H](CNC(=O)c1ccc(CN(C)C)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000160228613 295388256 /nfs/dbraw/zinc/38/82/56/295388256.db2.gz IUXNNIPJJBQFKH-HOTGVXAUSA-N 1 3 317.477 2.598 20 70 DFIDHO C[C@@H](CNC(=O)c1ccc(CN(C)C)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000160228613 295388259 /nfs/dbraw/zinc/38/82/59/295388259.db2.gz IUXNNIPJJBQFKH-HOTGVXAUSA-N 1 3 317.477 2.598 20 70 DFIDHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(-n2cncn2)cc1 ZINC000161133008 295399007 /nfs/dbraw/zinc/39/90/07/295399007.db2.gz RFQHRFIGCPXMIM-LESCRADOSA-N 1 3 313.449 2.791 20 70 DFIDHO CCCN1CCC([NH2+]C[C@H](C)N2CCc3ccccc3C2)CC1 ZINC000159782239 542719616 /nfs/dbraw/zinc/71/96/16/542719616.db2.gz FBGBZLCWRUVXNF-KRWDZBQOSA-N 1 3 315.505 2.897 20 70 DFIDHO CCC[NH+]1CCC(NC[C@H](C)N2CCc3ccccc3C2)CC1 ZINC000159782239 542719617 /nfs/dbraw/zinc/71/96/17/542719617.db2.gz FBGBZLCWRUVXNF-KRWDZBQOSA-N 1 3 315.505 2.897 20 70 DFIDHO CC[N@@H+]1CC[C@@H](NC[C@@H](C)N2CCc3ccccc32)[C@H](C)C1 ZINC000159914724 425970907 /nfs/dbraw/zinc/97/09/07/425970907.db2.gz JIPLQTHWIHISBU-JFIYKMOQSA-N 1 3 301.478 2.758 20 70 DFIDHO CC[N@H+]1CC[C@@H](NC[C@@H](C)N2CCc3ccccc32)[C@H](C)C1 ZINC000159914724 425970908 /nfs/dbraw/zinc/97/09/08/425970908.db2.gz JIPLQTHWIHISBU-JFIYKMOQSA-N 1 3 301.478 2.758 20 70 DFIDHO C[C@@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000161078068 426008315 /nfs/dbraw/zinc/00/83/15/426008315.db2.gz KFNFUPAEOBEQKG-BMFZPTHFSA-N 1 3 304.434 2.981 20 70 DFIDHO CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000161208109 426013826 /nfs/dbraw/zinc/01/38/26/426013826.db2.gz LOZIUZIJHVWIDK-CABCVRRESA-N 1 3 305.466 2.502 20 70 DFIDHO C(CN1CCCCC1)C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000161399581 426021796 /nfs/dbraw/zinc/02/17/96/426021796.db2.gz TZWLGHUXOLFXLG-IBGZPJMESA-N 1 3 324.509 2.913 20 70 DFIDHO CC[N@H+](C)C[C@@H]1CCN(CCN(C)Cc2ccc(F)cc2)C1 ZINC000160021116 279036845 /nfs/dbraw/zinc/03/68/45/279036845.db2.gz XXGMQLSASYSDBA-KRWDZBQOSA-N 1 3 307.457 2.531 20 70 DFIDHO CC[N@@H+](C)C[C@@H]1CCN(CCN(C)Cc2ccc(F)cc2)C1 ZINC000160021116 279036846 /nfs/dbraw/zinc/03/68/46/279036846.db2.gz XXGMQLSASYSDBA-KRWDZBQOSA-N 1 3 307.457 2.531 20 70 DFIDHO CCCC[N@H+](C)CC1CCN(C(=O)[C@H](CCC)N(C)C)CC1 ZINC000160991099 295397256 /nfs/dbraw/zinc/39/72/56/295397256.db2.gz QXNRXRUOLHKSIE-KRWDZBQOSA-N 1 3 311.514 2.687 20 70 DFIDHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](CCC)N(C)C)CC1 ZINC000160991099 295397257 /nfs/dbraw/zinc/39/72/57/295397257.db2.gz QXNRXRUOLHKSIE-KRWDZBQOSA-N 1 3 311.514 2.687 20 70 DFIDHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCN(C)Cc1ccc(F)cc1 ZINC000160121472 197387584 /nfs/dbraw/zinc/38/75/84/197387584.db2.gz FWSVAERJFUFAIT-IIDMSEBBSA-N 1 3 307.457 2.576 20 70 DFIDHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCN(C)Cc1ccc(F)cc1 ZINC000160121472 197387585 /nfs/dbraw/zinc/38/75/85/197387585.db2.gz FWSVAERJFUFAIT-IIDMSEBBSA-N 1 3 307.457 2.576 20 70 DFIDHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCN(C)Cc1ccc(F)cc1 ZINC000160121472 197387587 /nfs/dbraw/zinc/38/75/87/197387587.db2.gz FWSVAERJFUFAIT-IIDMSEBBSA-N 1 3 307.457 2.576 20 70 DFIDHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCN(C)Cc1ccc(F)cc1 ZINC000160121193 197386859 /nfs/dbraw/zinc/38/68/59/197386859.db2.gz FWSVAERJFUFAIT-RKVPGOIHSA-N 1 3 307.457 2.576 20 70 DFIDHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCN(C)Cc1ccc(F)cc1 ZINC000160121193 197386860 /nfs/dbraw/zinc/38/68/60/197386860.db2.gz FWSVAERJFUFAIT-RKVPGOIHSA-N 1 3 307.457 2.576 20 70 DFIDHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCN(C)Cc1ccc(F)cc1 ZINC000160121193 197386861 /nfs/dbraw/zinc/38/68/61/197386861.db2.gz FWSVAERJFUFAIT-RKVPGOIHSA-N 1 3 307.457 2.576 20 70 DFIDHO CCCN1CCC([NH2+]C[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000160848873 542725605 /nfs/dbraw/zinc/72/56/05/542725605.db2.gz RJQADSHKPGVQKJ-QGZVFWFLSA-N 1 3 303.494 2.971 20 70 DFIDHO CCC[NH+]1CCC(NC[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000160848873 542725607 /nfs/dbraw/zinc/72/56/07/542725607.db2.gz RJQADSHKPGVQKJ-QGZVFWFLSA-N 1 3 303.494 2.971 20 70 DFIDHO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](CCC)N(C)C)CC1 ZINC000160990996 295397311 /nfs/dbraw/zinc/39/73/11/295397311.db2.gz QXNRXRUOLHKSIE-QGZVFWFLSA-N 1 3 311.514 2.687 20 70 DFIDHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](CCC)N(C)C)CC1 ZINC000160990996 295397313 /nfs/dbraw/zinc/39/73/13/295397313.db2.gz QXNRXRUOLHKSIE-QGZVFWFLSA-N 1 3 311.514 2.687 20 70 DFIDHO C[NH+](C)C1CCN(CCN[C@@H]2CCSc3ccccc32)CC1 ZINC000160183860 197391494 /nfs/dbraw/zinc/39/14/94/197391494.db2.gz DMQPCAYWNYSDLX-QGZVFWFLSA-N 1 3 319.518 2.839 20 70 DFIDHO C[NH+](C)C1CCN(CCN[C@H]2CCSc3ccccc32)CC1 ZINC000160183991 197391382 /nfs/dbraw/zinc/39/13/82/197391382.db2.gz DMQPCAYWNYSDLX-KRWDZBQOSA-N 1 3 319.518 2.839 20 70 DFIDHO CC[N@@H+]1CC[C@H](NC[C@@H](C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000159802965 197365219 /nfs/dbraw/zinc/36/52/19/197365219.db2.gz XZNSYDBVDMKYOI-HLIPFELVSA-N 1 3 315.505 2.753 20 70 DFIDHO CC[N@H+]1CC[C@H](NC[C@@H](C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000159802965 197365220 /nfs/dbraw/zinc/36/52/20/197365220.db2.gz XZNSYDBVDMKYOI-HLIPFELVSA-N 1 3 315.505 2.753 20 70 DFIDHO CC(C)(C)C(=O)N1CCC([NH2+]C2CC(C)(C)NC(C)(C)C2)CC1 ZINC000159606280 425963998 /nfs/dbraw/zinc/96/39/98/425963998.db2.gz AOFFPLRWDGNIDD-UHFFFAOYSA-N 1 3 323.525 2.922 20 70 DFIDHO Cc1csc(N2CCC([NH2+][C@H]3CCC[C@@H](N(C)C)C3)CC2)n1 ZINC000161028905 426005220 /nfs/dbraw/zinc/00/52/20/426005220.db2.gz LNJDYOICVUSOTF-JKSUJKDBSA-N 1 3 322.522 2.883 20 70 DFIDHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc([S@@](C)=O)cc1 ZINC000161089896 426007504 /nfs/dbraw/zinc/00/75/04/426007504.db2.gz JMWZRHKPNLLAQX-QRHKASNESA-N 1 3 308.491 2.947 20 70 DFIDHO C[C@H](CNC(=O)c1ccc(CN(C)C)cc1)[NH+]1CCC(C)CC1 ZINC000161403592 295402531 /nfs/dbraw/zinc/40/25/31/295402531.db2.gz PZGPHENFLQATNE-MRXNPFEDSA-N 1 3 317.477 2.598 20 70 DFIDHO CCCNC(=O)c1cccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)c1 ZINC000160594341 425988873 /nfs/dbraw/zinc/98/88/73/425988873.db2.gz NGTCSEYBRAJSQS-RLFYNMQTSA-N 1 3 317.477 2.645 20 70 DFIDHO CC[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccccc1OC ZINC000160267820 425977673 /nfs/dbraw/zinc/97/76/73/425977673.db2.gz KPEVKIUCPPNXPD-SFHVURJKSA-N 1 3 319.493 2.762 20 70 DFIDHO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CCCN2CCCCC2)C1 ZINC000161088537 426007388 /nfs/dbraw/zinc/00/73/88/426007388.db2.gz QJTFGOJTOVTWCP-QGZVFWFLSA-N 1 3 323.525 2.737 20 70 DFIDHO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000161088537 426007390 /nfs/dbraw/zinc/00/73/90/426007390.db2.gz QJTFGOJTOVTWCP-QGZVFWFLSA-N 1 3 323.525 2.737 20 70 DFIDHO C[C@H]1CCCCN1CCC[NH2+]C1CCN(CC(F)F)CC1 ZINC000160266447 295388942 /nfs/dbraw/zinc/38/89/42/295388942.db2.gz GALPNKVELJWMFV-AWEZNQCLSA-N 1 3 303.441 2.570 20 70 DFIDHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(F)cc1F ZINC000160185389 197392176 /nfs/dbraw/zinc/39/21/76/197392176.db2.gz CXNXSCAULHLFED-CYBMUJFWSA-N 1 3 311.420 2.641 20 70 DFIDHO C[C@H](CN[C@H]1C[C@H](C)[N@H+](C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000159806398 197365686 /nfs/dbraw/zinc/36/56/86/197365686.db2.gz QLWADWUUINJXJH-YZLZLFLDSA-N 1 3 315.505 2.752 20 70 DFIDHO C[C@H](CN[C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000159806398 197365688 /nfs/dbraw/zinc/36/56/88/197365688.db2.gz QLWADWUUINJXJH-YZLZLFLDSA-N 1 3 315.505 2.752 20 70 DFIDHO C[C@@H](NCC(=O)Nc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000161116649 542726687 /nfs/dbraw/zinc/72/66/87/542726687.db2.gz ODVSYIMCOIFHFO-GFCCVEGCSA-N 1 3 309.841 2.598 20 70 DFIDHO CCc1nccn1[C@@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000160979139 426004179 /nfs/dbraw/zinc/00/41/79/426004179.db2.gz NLSSTPSXBOXHHJ-QGZVFWFLSA-N 1 3 304.482 2.958 20 70 DFIDHO CCc1nccn1[C@@H]1CCC[N@H+](CCCN2CCCCC2)C1 ZINC000160979139 426004182 /nfs/dbraw/zinc/00/41/82/426004182.db2.gz NLSSTPSXBOXHHJ-QGZVFWFLSA-N 1 3 304.482 2.958 20 70 DFIDHO CCc1nccn1[C@@H]1CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000160979139 426004184 /nfs/dbraw/zinc/00/41/84/426004184.db2.gz NLSSTPSXBOXHHJ-QGZVFWFLSA-N 1 3 304.482 2.958 20 70 DFIDHO CC[NH+](CC)C[C@H]1CCN(CCN(C)Cc2ccc(F)cc2)C1 ZINC000159901432 425970788 /nfs/dbraw/zinc/97/07/88/425970788.db2.gz AJXFFNOEGXDPIT-GOSISDBHSA-N 1 3 321.484 2.921 20 70 DFIDHO C[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N1CCc2ccccc21 ZINC000159919542 425970933 /nfs/dbraw/zinc/97/09/33/425970933.db2.gz YKXCVOJUKJMIDS-YFHUEUNASA-N 1 3 301.478 2.756 20 70 DFIDHO C[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N1CCc2ccccc21 ZINC000159919542 425970934 /nfs/dbraw/zinc/97/09/34/425970934.db2.gz YKXCVOJUKJMIDS-YFHUEUNASA-N 1 3 301.478 2.756 20 70 DFIDHO C[NH+](C)C1CCN(CCN[C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000160197875 425976619 /nfs/dbraw/zinc/97/66/19/425976619.db2.gz GEZCMPBUYDEEAC-QGZVFWFLSA-N 1 3 319.493 2.909 20 70 DFIDHO C(CN1CCCCC1)C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000161405561 426023675 /nfs/dbraw/zinc/02/36/75/426023675.db2.gz LPQBHWTZILTMBA-GOSISDBHSA-N 1 3 310.482 2.522 20 70 DFIDHO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000161207871 426013620 /nfs/dbraw/zinc/01/36/20/426013620.db2.gz LOZIUZIJHVWIDK-HUUCEWRRSA-N 1 3 305.466 2.502 20 70 DFIDHO CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000161207986 426013791 /nfs/dbraw/zinc/01/37/91/426013791.db2.gz LOZIUZIJHVWIDK-LSDHHAIUSA-N 1 3 305.466 2.502 20 70 DFIDHO CCN1CC[C@@H]([NH2+]CCN(C)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000160116731 197386809 /nfs/dbraw/zinc/38/68/09/197386809.db2.gz YMSTYUPICRGILS-CRAIPNDOSA-N 1 3 307.457 2.577 20 70 DFIDHO CC[N@@H+]1CC[C@@H](NCCN(C)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000160116731 197386811 /nfs/dbraw/zinc/38/68/11/197386811.db2.gz YMSTYUPICRGILS-CRAIPNDOSA-N 1 3 307.457 2.577 20 70 DFIDHO CC[N@H+]1CC[C@@H](NCCN(C)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000160116731 197386812 /nfs/dbraw/zinc/38/68/12/197386812.db2.gz YMSTYUPICRGILS-CRAIPNDOSA-N 1 3 307.457 2.577 20 70 DFIDHO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(OCCN(C)C)cc1 ZINC000160455389 425982960 /nfs/dbraw/zinc/98/29/60/425982960.db2.gz ZHOBZMBTBPTZHD-WDYCEAGBSA-N 1 3 320.477 2.829 20 70 DFIDHO CCc1nc(C)c([C@H](C)NCCN2CCC([NH+](C)C)CC2)s1 ZINC000160160047 425975065 /nfs/dbraw/zinc/97/50/65/425975065.db2.gz DURZLUOQOPQWHP-ZDUSSCGKSA-N 1 3 324.538 2.691 20 70 DFIDHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(N[C@@H]2CCCOC2)C3)cc1 ZINC000161090880 426009158 /nfs/dbraw/zinc/00/91/58/426009158.db2.gz QEIXJLQUGJNOCV-MVCQKVDPSA-N 1 3 300.446 2.951 20 70 DFIDHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(N[C@@H]2CCCOC2)C3)cc1 ZINC000161090880 426009160 /nfs/dbraw/zinc/00/91/60/426009160.db2.gz QEIXJLQUGJNOCV-MVCQKVDPSA-N 1 3 300.446 2.951 20 70 DFIDHO COc1ccc(C)cc1[C@H](C)NCCN1CCC([NH+](C)C)CC1 ZINC000160209320 271079754 /nfs/dbraw/zinc/07/97/54/271079754.db2.gz VYGAFONJRIZGHO-INIZCTEOSA-N 1 3 319.493 2.680 20 70 DFIDHO COc1ccc(C)cc1[C@@H](C)NCCN1CCC([NH+](C)C)CC1 ZINC000160209191 271079964 /nfs/dbraw/zinc/07/99/64/271079964.db2.gz VYGAFONJRIZGHO-MRXNPFEDSA-N 1 3 319.493 2.680 20 70 DFIDHO C[C@H](C[NH2+][C@H]1C[C@@H](C)N(C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000160863566 279354562 /nfs/dbraw/zinc/35/45/62/279354562.db2.gz VXLXETCUIYUADR-MTNOOBJLSA-N 1 3 303.494 2.825 20 70 DFIDHO C[C@H](CN[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000160863566 279354566 /nfs/dbraw/zinc/35/45/66/279354566.db2.gz VXLXETCUIYUADR-MTNOOBJLSA-N 1 3 303.494 2.825 20 70 DFIDHO C[C@H](CN[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000160863566 279354567 /nfs/dbraw/zinc/35/45/67/279354567.db2.gz VXLXETCUIYUADR-MTNOOBJLSA-N 1 3 303.494 2.825 20 70 DFIDHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(F)c(F)c1 ZINC000160285649 197398455 /nfs/dbraw/zinc/39/84/55/197398455.db2.gz BKOMSPNCKXAZKU-CYBMUJFWSA-N 1 3 311.420 2.641 20 70 DFIDHO C[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000159806639 197365077 /nfs/dbraw/zinc/36/50/77/197365077.db2.gz QLWADWUUINJXJH-AXVVYFOYSA-N 1 3 315.505 2.752 20 70 DFIDHO C[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000159806639 197365079 /nfs/dbraw/zinc/36/50/79/197365079.db2.gz QLWADWUUINJXJH-AXVVYFOYSA-N 1 3 315.505 2.752 20 70 DFIDHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C)nc2)[C@H](C)C1 ZINC000161282364 542727589 /nfs/dbraw/zinc/72/75/89/542727589.db2.gz JPAMXQAQVQTEMY-QAPCUYQASA-N 1 3 305.466 2.617 20 70 DFIDHO CC(C)(C)C[C@@H]1CCC[N@@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000160530507 425985944 /nfs/dbraw/zinc/98/59/44/425985944.db2.gz UYGMGNRDOQZRDF-KRWDZBQOSA-N 1 3 321.509 2.630 20 70 DFIDHO CC(C)(C)C[C@@H]1CCC[N@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000160530507 425985947 /nfs/dbraw/zinc/98/59/47/425985947.db2.gz UYGMGNRDOQZRDF-KRWDZBQOSA-N 1 3 321.509 2.630 20 70 DFIDHO CCC[C@H](C(=O)NC1CCN(Cc2ccsc2)CC1)[NH+](C)C ZINC000159659328 425965137 /nfs/dbraw/zinc/96/51/37/425965137.db2.gz CTFOHLYGIMSICM-MRXNPFEDSA-N 1 3 323.506 2.559 20 70 DFIDHO C[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)N1CCc2sccc2C1 ZINC000159858985 425969490 /nfs/dbraw/zinc/96/94/90/425969490.db2.gz FPNMRPBZGPCWFT-JYYAWHABSA-N 1 3 321.534 2.813 20 70 DFIDHO C[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)N1CCc2sccc2C1 ZINC000159858985 425969492 /nfs/dbraw/zinc/96/94/92/425969492.db2.gz FPNMRPBZGPCWFT-JYYAWHABSA-N 1 3 321.534 2.813 20 70 DFIDHO C[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N1CCc2sccc2C1 ZINC000159858848 425969646 /nfs/dbraw/zinc/96/96/46/425969646.db2.gz FPNMRPBZGPCWFT-KCYZZUKISA-N 1 3 321.534 2.813 20 70 DFIDHO C[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N1CCc2sccc2C1 ZINC000159858848 425969647 /nfs/dbraw/zinc/96/96/47/425969647.db2.gz FPNMRPBZGPCWFT-KCYZZUKISA-N 1 3 321.534 2.813 20 70 DFIDHO C[C@@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc([S@@](C)=O)cc1 ZINC000161090028 426007806 /nfs/dbraw/zinc/00/78/06/426007806.db2.gz JMWZRHKPNLLAQX-XKDRDYDWSA-N 1 3 308.491 2.947 20 70 DFIDHO CC[C@H](C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)N(C)C ZINC000161180471 426012832 /nfs/dbraw/zinc/01/28/32/426012832.db2.gz ASLFRIZBISKIRY-FUHWJXTLSA-N 1 3 323.525 2.830 20 70 DFIDHO CC[C@H](C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)N(C)C ZINC000161180471 426012834 /nfs/dbraw/zinc/01/28/34/426012834.db2.gz ASLFRIZBISKIRY-FUHWJXTLSA-N 1 3 323.525 2.830 20 70 DFIDHO c1ccc(NC[C@@H]2CC[N@@H+](CCCN3CCCCC3)C2)nc1 ZINC000161368484 426021423 /nfs/dbraw/zinc/02/14/23/426021423.db2.gz HGBMLAUFIIFLLM-KRWDZBQOSA-N 1 3 302.466 2.691 20 70 DFIDHO c1ccc(NC[C@@H]2CC[N@H+](CCCN3CCCCC3)C2)nc1 ZINC000161368484 426021425 /nfs/dbraw/zinc/02/14/25/426021425.db2.gz HGBMLAUFIIFLLM-KRWDZBQOSA-N 1 3 302.466 2.691 20 70 DFIDHO C[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)N1CCc2ccccc21 ZINC000159919680 278210145 /nfs/dbraw/zinc/21/01/45/278210145.db2.gz YKXCVOJUKJMIDS-KYHPRHEASA-N 1 3 301.478 2.756 20 70 DFIDHO C[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)N1CCc2ccccc21 ZINC000159919680 278210146 /nfs/dbraw/zinc/21/01/46/278210146.db2.gz YKXCVOJUKJMIDS-KYHPRHEASA-N 1 3 301.478 2.756 20 70 DFIDHO C[NH+](C)C1CCN(CCN[C@H]2CCCOc3ccccc32)CC1 ZINC000160240885 282051582 /nfs/dbraw/zinc/05/15/82/282051582.db2.gz BHGQGNPOEAFLQH-SFHVURJKSA-N 1 3 317.477 2.516 20 70 DFIDHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(CN(C)C)cc1 ZINC000160968491 295396708 /nfs/dbraw/zinc/39/67/08/295396708.db2.gz OHDAABJCWFXIJV-HZPDHXFCSA-N 1 3 317.477 2.598 20 70 DFIDHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(CN(C)C)cc1 ZINC000160968491 295396711 /nfs/dbraw/zinc/39/67/11/295396711.db2.gz OHDAABJCWFXIJV-HZPDHXFCSA-N 1 3 317.477 2.598 20 70 DFIDHO C[C@@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(OCCN(C)C)cc1 ZINC000160455266 425983216 /nfs/dbraw/zinc/98/32/16/425983216.db2.gz ZHOBZMBTBPTZHD-AYBZRNKSSA-N 1 3 320.477 2.829 20 70 DFIDHO C[C@@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1cccc(OCCN(C)C)c1 ZINC000160514541 425985005 /nfs/dbraw/zinc/98/50/05/425985005.db2.gz BJLLOCTYMBCGHD-AYBZRNKSSA-N 1 3 320.477 2.829 20 70 DFIDHO C[C@H](NCC(=O)Nc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000161116544 542727009 /nfs/dbraw/zinc/72/70/09/542727009.db2.gz ODVSYIMCOIFHFO-LBPRGKRZSA-N 1 3 309.841 2.598 20 70 DFIDHO CCC([NH3+])(CC)CNC(=O)c1oc2ccccc2c1CN(C)C ZINC000160499059 425984968 /nfs/dbraw/zinc/98/49/68/425984968.db2.gz DIXFYADLEWDDHX-UHFFFAOYSA-N 1 3 317.433 2.742 20 70 DFIDHO Cc1csc(N2CCC([NH2+][C@@H]3CCC[C@H](N(C)C)C3)CC2)n1 ZINC000161028603 426005197 /nfs/dbraw/zinc/00/51/97/426005197.db2.gz LNJDYOICVUSOTF-CVEARBPZSA-N 1 3 322.522 2.883 20 70 DFIDHO C[C@H]1CN(CCCC[NH2+]Cc2cc(F)cc(F)c2)C[C@H](C)O1 ZINC000161187701 426012097 /nfs/dbraw/zinc/01/20/97/426012097.db2.gz SGUJVHGTXZREGL-KBPBESRZSA-N 1 3 312.404 2.944 20 70 DFIDHO CC[C@@H](C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)N(C)C ZINC000161180346 426012695 /nfs/dbraw/zinc/01/26/95/426012695.db2.gz ASLFRIZBISKIRY-WMZOPIPTSA-N 1 3 323.525 2.830 20 70 DFIDHO CC[C@@H](C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)N(C)C ZINC000161180346 426012698 /nfs/dbraw/zinc/01/26/98/426012698.db2.gz ASLFRIZBISKIRY-WMZOPIPTSA-N 1 3 323.525 2.830 20 70 DFIDHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(F)c(F)c1 ZINC000160285544 197398620 /nfs/dbraw/zinc/39/86/20/197398620.db2.gz BKOMSPNCKXAZKU-ZDUSSCGKSA-N 1 3 311.420 2.641 20 70 DFIDHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(F)cc1F ZINC000160185235 197391468 /nfs/dbraw/zinc/39/14/68/197391468.db2.gz CXNXSCAULHLFED-ZDUSSCGKSA-N 1 3 311.420 2.641 20 70 DFIDHO CCC[NH+]1CCC(NCCc2cc(OC)ccc2OC)CC1 ZINC000161410980 542729945 /nfs/dbraw/zinc/72/99/45/542729945.db2.gz CHDIFHXIGVIMMV-UHFFFAOYSA-N 1 3 306.450 2.710 20 70 DFIDHO CCCNC(=O)c1cccc(C[NH2+][C@@H]2CCN(CC)C[C@@H]2C)c1 ZINC000160585040 425988817 /nfs/dbraw/zinc/98/88/17/425988817.db2.gz JAWOTQAROGZZSE-MAUKXSAKSA-N 1 3 317.477 2.646 20 70 DFIDHO CCN(CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000159458858 295376830 /nfs/dbraw/zinc/37/68/30/295376830.db2.gz KCJPFXZQVVQVGK-SOUVJXGZSA-N 1 3 313.486 2.562 20 70 DFIDHO CCN(CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000159458858 295376831 /nfs/dbraw/zinc/37/68/31/295376831.db2.gz KCJPFXZQVVQVGK-SOUVJXGZSA-N 1 3 313.486 2.562 20 70 DFIDHO C[C@@H](CNC(=O)c1ccc(CN(C)C)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000160228483 295388508 /nfs/dbraw/zinc/38/85/08/295388508.db2.gz IUXNNIPJJBQFKH-CVEARBPZSA-N 1 3 317.477 2.598 20 70 DFIDHO C[C@@H](CNC(=O)c1ccc(CN(C)C)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000160228483 295388509 /nfs/dbraw/zinc/38/85/09/295388509.db2.gz IUXNNIPJJBQFKH-CVEARBPZSA-N 1 3 317.477 2.598 20 70 DFIDHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1cc(F)cc(F)c1 ZINC000160229761 197393660 /nfs/dbraw/zinc/39/36/60/197393660.db2.gz LSUYOOPTEPNYIP-ZDUSSCGKSA-N 1 3 311.420 2.641 20 70 DFIDHO CCN1CC[C@H]([NH2+]CCN(C)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000160116609 197387207 /nfs/dbraw/zinc/38/72/07/197387207.db2.gz YMSTYUPICRGILS-QAPCUYQASA-N 1 3 307.457 2.577 20 70 DFIDHO CC[N@@H+]1CC[C@H](NCCN(C)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000160116609 197387210 /nfs/dbraw/zinc/38/72/10/197387210.db2.gz YMSTYUPICRGILS-QAPCUYQASA-N 1 3 307.457 2.577 20 70 DFIDHO CC[N@H+]1CC[C@H](NCCN(C)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000160116609 197387212 /nfs/dbraw/zinc/38/72/12/197387212.db2.gz YMSTYUPICRGILS-QAPCUYQASA-N 1 3 307.457 2.577 20 70 DFIDHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCN(C)Cc1ccc(F)cc1 ZINC000160121600 197386782 /nfs/dbraw/zinc/38/67/82/197386782.db2.gz FWSVAERJFUFAIT-RVKKMQEKSA-N 1 3 307.457 2.576 20 70 DFIDHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCN(C)Cc1ccc(F)cc1 ZINC000160121600 197386784 /nfs/dbraw/zinc/38/67/84/197386784.db2.gz FWSVAERJFUFAIT-RVKKMQEKSA-N 1 3 307.457 2.576 20 70 DFIDHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCN(C)Cc1ccc(F)cc1 ZINC000160121600 197386786 /nfs/dbraw/zinc/38/67/86/197386786.db2.gz FWSVAERJFUFAIT-RVKKMQEKSA-N 1 3 307.457 2.576 20 70 DFIDHO C[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000159806510 197365378 /nfs/dbraw/zinc/36/53/78/197365378.db2.gz QLWADWUUINJXJH-WOCWXWTJSA-N 1 3 315.505 2.752 20 70 DFIDHO C[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000159806510 197365379 /nfs/dbraw/zinc/36/53/79/197365379.db2.gz QLWADWUUINJXJH-WOCWXWTJSA-N 1 3 315.505 2.752 20 70 DFIDHO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1cccc(OCCN(C)C)c1 ZINC000160514416 425985642 /nfs/dbraw/zinc/98/56/42/425985642.db2.gz BJLLOCTYMBCGHD-IEZWGBDMSA-N 1 3 320.477 2.829 20 70 DFIDHO C[C@H](C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000160863747 425999107 /nfs/dbraw/zinc/99/91/07/425999107.db2.gz VXLXETCUIYUADR-YWTNHNAXSA-N 1 3 303.494 2.825 20 70 DFIDHO C[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000160863747 425999109 /nfs/dbraw/zinc/99/91/09/425999109.db2.gz VXLXETCUIYUADR-YWTNHNAXSA-N 1 3 303.494 2.825 20 70 DFIDHO C[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000160863747 425999112 /nfs/dbraw/zinc/99/91/12/425999112.db2.gz VXLXETCUIYUADR-YWTNHNAXSA-N 1 3 303.494 2.825 20 70 DFIDHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000159789973 425967479 /nfs/dbraw/zinc/96/74/79/425967479.db2.gz YSFBCRQXCGFIOV-GPMSIDNRSA-N 1 3 301.478 2.506 20 70 DFIDHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000159789973 425967482 /nfs/dbraw/zinc/96/74/82/425967482.db2.gz YSFBCRQXCGFIOV-GPMSIDNRSA-N 1 3 301.478 2.506 20 70 DFIDHO C[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000159790273 425968266 /nfs/dbraw/zinc/96/82/66/425968266.db2.gz YSFBCRQXCGFIOV-MDZRGWNJSA-N 1 3 301.478 2.506 20 70 DFIDHO C[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000159790273 425968268 /nfs/dbraw/zinc/96/82/68/425968268.db2.gz YSFBCRQXCGFIOV-MDZRGWNJSA-N 1 3 301.478 2.506 20 70 DFIDHO CC[NH+](CC)[C@H]1CCN(CCN(C)Cc2ccc(F)cc2)C1 ZINC000159908414 425970743 /nfs/dbraw/zinc/97/07/43/425970743.db2.gz QYEXDDHOXZGCEN-SFHVURJKSA-N 1 3 307.457 2.674 20 70 DFIDHO CCOc1ccccc1[C@@H](C)NCCN1CCC([NH+](C)C)CC1 ZINC000160264592 425977588 /nfs/dbraw/zinc/97/75/88/425977588.db2.gz QREOYHKBYBHOHC-MRXNPFEDSA-N 1 3 319.493 2.762 20 70 DFIDHO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CCCN2CCCCC2)C1 ZINC000161088403 426007914 /nfs/dbraw/zinc/00/79/14/426007914.db2.gz QJTFGOJTOVTWCP-KRWDZBQOSA-N 1 3 323.525 2.737 20 70 DFIDHO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000161088403 426007915 /nfs/dbraw/zinc/00/79/15/426007915.db2.gz QJTFGOJTOVTWCP-KRWDZBQOSA-N 1 3 323.525 2.737 20 70 DFIDHO CC[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C1CC1 ZINC000161226643 426013548 /nfs/dbraw/zinc/01/35/48/426013548.db2.gz FZNFLMSSOOBTPC-LJQANCHMSA-N 1 3 302.462 2.922 20 70 DFIDHO Cc1nc2ccccn2c1CN1CCC(CC[NH+](C)C)CC1 ZINC000160498347 527178226 /nfs/dbraw/zinc/17/82/26/527178226.db2.gz YHZWEADUUXIHBM-UHFFFAOYSA-N 1 3 300.450 2.806 20 70 DFIDHO CCN1CC[C@@H]([NH2+]C[C@@H](C)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000160860907 425999139 /nfs/dbraw/zinc/99/91/39/425999139.db2.gz AZXZTMMQXRTYOE-ZHALLVOQSA-N 1 3 303.494 2.827 20 70 DFIDHO CC[N@@H+]1CC[C@@H](NC[C@@H](C)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000160860907 425999140 /nfs/dbraw/zinc/99/91/40/425999140.db2.gz AZXZTMMQXRTYOE-ZHALLVOQSA-N 1 3 303.494 2.827 20 70 DFIDHO CC[N@H+]1CC[C@@H](NC[C@@H](C)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000160860907 425999142 /nfs/dbraw/zinc/99/91/42/425999142.db2.gz AZXZTMMQXRTYOE-ZHALLVOQSA-N 1 3 303.494 2.827 20 70 DFIDHO Cn1ccnc1CC1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160968832 426004777 /nfs/dbraw/zinc/00/47/77/426004777.db2.gz YNTGYQADQZWFSF-UHFFFAOYSA-N 1 3 304.482 2.551 20 70 DFIDHO Cn1ccnc1CC1CC[NH+](CCCN2CCCCC2)CC1 ZINC000160968832 426004780 /nfs/dbraw/zinc/00/47/80/426004780.db2.gz YNTGYQADQZWFSF-UHFFFAOYSA-N 1 3 304.482 2.551 20 70 DFIDHO CC[NH+](CC)C[C@@H]1CCN(CCN(C)Cc2ccc(F)cc2)C1 ZINC000159901321 425970601 /nfs/dbraw/zinc/97/06/01/425970601.db2.gz AJXFFNOEGXDPIT-SFHVURJKSA-N 1 3 321.484 2.921 20 70 DFIDHO C(CN1CCCCC1)C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000161405437 426023311 /nfs/dbraw/zinc/02/33/11/426023311.db2.gz LPQBHWTZILTMBA-SFHVURJKSA-N 1 3 310.482 2.522 20 70 DFIDHO C[C@@H](NC1CC[NH+](C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000161442475 426024789 /nfs/dbraw/zinc/02/47/89/426024789.db2.gz YFUPUNPCVHUVEP-GFCCVEGCSA-N 1 3 301.434 2.661 20 70 DFIDHO CC(C)[C@@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C1CC1 ZINC000161278239 426016975 /nfs/dbraw/zinc/01/69/75/426016975.db2.gz PHCVWZYPCHBCDZ-GOSISDBHSA-N 1 3 317.477 2.502 20 70 DFIDHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(CN(C)C)cc1 ZINC000160968611 295396959 /nfs/dbraw/zinc/39/69/59/295396959.db2.gz OHDAABJCWFXIJV-JKSUJKDBSA-N 1 3 317.477 2.598 20 70 DFIDHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(CN(C)C)cc1 ZINC000160968611 295396960 /nfs/dbraw/zinc/39/69/60/295396960.db2.gz OHDAABJCWFXIJV-JKSUJKDBSA-N 1 3 317.477 2.598 20 70 DFIDHO