smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc2[nH]cnc21 ZINC000159518222 206250595 /nfs/dbraw/zinc/25/05/95/206250595.db2.gz XCIHAFLHJQSWCC-UHFFFAOYSA-N 2 1 331.464 1.909 20 70 EDIDMP O=C(NC[C@H](O)C[NH+]1CCCCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000160780924 441920612 /nfs/dbraw/zinc/92/06/12/441920612.db2.gz RIMDCAKFAZUIQZ-RDJZCZTQSA-N 2 1 338.496 1.149 20 70 EDIDMP O=C(C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1)NC1CC[NH+](C2CC2)CC1 ZINC000160527069 441893053 /nfs/dbraw/zinc/89/30/53/441893053.db2.gz CMVMPRSXYIAHCQ-HNAYVOBHSA-N 2 1 335.492 1.356 20 70 EDIDMP CC[N@H+]1CCCN(C(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000159779591 206262856 /nfs/dbraw/zinc/26/28/56/206262856.db2.gz WIKODOOXMAWWHQ-UHFFFAOYSA-N 2 1 348.491 1.864 20 70 EDIDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000159972049 206272933 /nfs/dbraw/zinc/27/29/33/206272933.db2.gz PGUPJLIPTGEWFL-IEZWGBDMSA-N 2 1 348.491 1.119 20 70 EDIDMP [NH3+]CCCNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000160126020 206280265 /nfs/dbraw/zinc/28/02/65/206280265.db2.gz ROLSNYGPCYAKLA-OAHLLOKOSA-N 2 1 329.366 1.906 20 70 EDIDMP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cnccn3)cn2)CC1 ZINC000159500662 441818137 /nfs/dbraw/zinc/81/81/37/441818137.db2.gz XQWSXDPAZZPLOA-HNNXBMFYSA-N 2 1 326.448 1.864 20 70 EDIDMP O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000160089071 206279533 /nfs/dbraw/zinc/27/95/33/206279533.db2.gz IEDHEHCYHAZBGZ-OALUTQOASA-N 2 1 345.487 1.614 20 70 EDIDMP CN1CC[NH+](Cc2ccc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000160759460 486638221 /nfs/dbraw/zinc/63/82/21/486638221.db2.gz UTKSSTCKUJVJMC-MSOLQXFVSA-N 2 1 330.476 1.434 20 70 EDIDMP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)CCc1ccncc1)c1ccccc1 ZINC000160217600 206284308 /nfs/dbraw/zinc/28/43/08/206284308.db2.gz SQTDZHPVHJZSQO-IBGZPJMESA-N 2 1 340.471 1.975 20 70 EDIDMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)CCc1ccncc1)c1ccccc1 ZINC000160217600 206284313 /nfs/dbraw/zinc/28/43/13/206284313.db2.gz SQTDZHPVHJZSQO-IBGZPJMESA-N 2 1 340.471 1.975 20 70 EDIDMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3nc(C)nn3C2)[C@H](C)C1 ZINC000160402870 276315318 /nfs/dbraw/zinc/31/53/18/276315318.db2.gz YKMSMJKPXXNNSV-DJIMGWMZSA-N 2 1 335.496 1.628 20 70 EDIDMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)CC1CCOCC1)c1ccccc1 ZINC000160212056 441866463 /nfs/dbraw/zinc/86/64/63/441866463.db2.gz VHVVAFYLOMRVPO-GOSISDBHSA-N 2 1 333.476 1.764 20 70 EDIDMP C[N@@H+](CC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCSC1 ZINC000160399440 441878016 /nfs/dbraw/zinc/87/80/16/441878016.db2.gz XYMWAHKPXDFTPU-HUUCEWRRSA-N 2 1 337.489 1.970 20 70 EDIDMP C[C@H](C(=O)NCC1CC[NH+](CCO)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000160567538 441897972 /nfs/dbraw/zinc/89/79/72/441897972.db2.gz CAWBUAKFRPMWSM-MRXNPFEDSA-N 2 1 345.487 1.254 20 70 EDIDMP C[C@H](C(=O)NCC1CC[NH+](CCO)CC1)[N@H+]1CCc2ccccc2C1 ZINC000160567538 441897975 /nfs/dbraw/zinc/89/79/75/441897975.db2.gz CAWBUAKFRPMWSM-MRXNPFEDSA-N 2 1 345.487 1.254 20 70 EDIDMP CC[NH2+]CC1CCN(C(=O)[C@H](C(CC)CC)[NH+]2CCOCC2)CC1 ZINC000161092807 441956573 /nfs/dbraw/zinc/95/65/73/441956573.db2.gz AEMUIJPNBYLLEB-SFHVURJKSA-N 2 1 339.524 1.972 20 70 EDIDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000161299278 441982043 /nfs/dbraw/zinc/98/20/43/441982043.db2.gz BRGAFJFGGQEWAW-ZDUSSCGKSA-N 2 1 336.461 1.922 20 70 EDIDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000161299278 441982048 /nfs/dbraw/zinc/98/20/48/441982048.db2.gz BRGAFJFGGQEWAW-ZDUSSCGKSA-N 2 1 336.461 1.922 20 70 EDIDMP C[N@@H+](CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCSC1 ZINC000160399319 441877887 /nfs/dbraw/zinc/87/78/87/441877887.db2.gz XYMWAHKPXDFTPU-CABCVRRESA-N 2 1 337.489 1.970 20 70 EDIDMP C[NH+]1CCN([C@H](C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c2ccccc2)CC1 ZINC000161428586 486644241 /nfs/dbraw/zinc/64/42/41/486644241.db2.gz KXAQFCGXRHVDGB-BZSNNMDCSA-N 2 1 330.476 1.361 20 70 EDIDMP C[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H]1CO ZINC000159442839 287345986 /nfs/dbraw/zinc/34/59/86/287345986.db2.gz PHIBYXUDTILWTK-BPQIPLTHSA-N 2 1 333.476 1.498 20 70 EDIDMP C[C@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000159943191 441850034 /nfs/dbraw/zinc/85/00/34/441850034.db2.gz KHXKNYHIULZINS-APWZRJJASA-N 2 1 345.487 1.396 20 70 EDIDMP C[C@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000159943191 441850041 /nfs/dbraw/zinc/85/00/41/441850041.db2.gz KHXKNYHIULZINS-APWZRJJASA-N 2 1 345.487 1.396 20 70 EDIDMP O=C(c1ccco1)N1CCC([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC000160764382 441917782 /nfs/dbraw/zinc/91/77/82/441917782.db2.gz YNESLUOQGIMTDQ-KRWDZBQOSA-N 2 1 349.475 1.711 20 70 EDIDMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000160020374 441854594 /nfs/dbraw/zinc/85/45/94/441854594.db2.gz OGWDQVXMUFUGMD-LPHOPBHVSA-N 2 1 342.487 1.997 20 70 EDIDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000160020374 441854602 /nfs/dbraw/zinc/85/46/02/441854602.db2.gz OGWDQVXMUFUGMD-LPHOPBHVSA-N 2 1 342.487 1.997 20 70 EDIDMP Cn1cc(N2CCC[C@H]([NH+]3CCC(C[NH+]4CCCC4)CC3)C2=O)cn1 ZINC000160483271 441888935 /nfs/dbraw/zinc/88/89/35/441888935.db2.gz SYUGWJINXBFNPS-SFHVURJKSA-N 2 1 345.491 1.723 20 70 EDIDMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000161402177 441996502 /nfs/dbraw/zinc/99/65/02/441996502.db2.gz FZJNTKYDZMQSDV-YDHLFZDLSA-N 2 1 325.478 1.728 20 70 EDIDMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000161402177 441996506 /nfs/dbraw/zinc/99/65/06/441996506.db2.gz FZJNTKYDZMQSDV-YDHLFZDLSA-N 2 1 325.478 1.728 20 70 EDIDMP C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000159943419 441848975 /nfs/dbraw/zinc/84/89/75/441848975.db2.gz KHXKNYHIULZINS-VQIMIIECSA-N 2 1 345.487 1.396 20 70 EDIDMP C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000159943419 441848979 /nfs/dbraw/zinc/84/89/79/441848979.db2.gz KHXKNYHIULZINS-VQIMIIECSA-N 2 1 345.487 1.396 20 70 EDIDMP CC[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000160011739 441853730 /nfs/dbraw/zinc/85/37/30/441853730.db2.gz LZLYBDYCLGYMLG-FUHWJXTLSA-N 2 1 330.476 1.854 20 70 EDIDMP CC[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000160011739 441853732 /nfs/dbraw/zinc/85/37/32/441853732.db2.gz LZLYBDYCLGYMLG-FUHWJXTLSA-N 2 1 330.476 1.854 20 70 EDIDMP C[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000160782576 441920799 /nfs/dbraw/zinc/92/07/99/441920799.db2.gz IFRNILIMPPWOFL-ROUUACIJSA-N 2 1 331.460 1.080 20 70 EDIDMP C[C@@H](CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C[NH+]1CCOCC1 ZINC000160218960 533986636 /nfs/dbraw/zinc/98/66/36/533986636.db2.gz FMSRWOPNLWPZED-JKSUJKDBSA-N 2 1 342.528 1.620 20 70 EDIDMP CC[N@H+](CCc1nccs1)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000159425734 441812321 /nfs/dbraw/zinc/81/23/21/441812321.db2.gz WBNWMHMWDCBTRY-UHFFFAOYSA-N 2 1 338.521 1.997 20 70 EDIDMP CC[N@@H+](CCc1nccs1)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000159425734 441812326 /nfs/dbraw/zinc/81/23/26/441812326.db2.gz WBNWMHMWDCBTRY-UHFFFAOYSA-N 2 1 338.521 1.997 20 70 EDIDMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000160437820 441882932 /nfs/dbraw/zinc/88/29/32/441882932.db2.gz YTEQKNNKQIQOCZ-SJORKVTESA-N 2 1 340.512 1.518 20 70 EDIDMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000160437820 441882934 /nfs/dbraw/zinc/88/29/34/441882934.db2.gz YTEQKNNKQIQOCZ-SJORKVTESA-N 2 1 340.512 1.518 20 70 EDIDMP CCc1ncc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cn1 ZINC000161167879 441966441 /nfs/dbraw/zinc/96/64/41/441966441.db2.gz XWVKJCQQYSMYSI-MRXNPFEDSA-N 2 1 348.495 1.919 20 70 EDIDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCN2CCCC2=O)[C@H](C)C1 ZINC000159503059 441818708 /nfs/dbraw/zinc/81/87/08/441818708.db2.gz KLMJREFGLBRLRC-SJORKVTESA-N 2 1 325.497 1.726 20 70 EDIDMP O=C(NC[C@@H](O)C[NH+]1CCCCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000160780512 441920845 /nfs/dbraw/zinc/92/08/45/441920845.db2.gz RIMDCAKFAZUIQZ-NVXWUHKLSA-N 2 1 338.496 1.149 20 70 EDIDMP CC[N@H+]1CCCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000159601668 529029547 /nfs/dbraw/zinc/02/95/47/529029547.db2.gz ZMXHFVBKQRBPAL-UHFFFAOYSA-N 2 1 348.491 1.864 20 70 EDIDMP Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000159473934 540009949 /nfs/dbraw/zinc/00/99/49/540009949.db2.gz CVMSQTOYXYHERB-UHFFFAOYSA-N 2 1 333.440 1.504 20 70 EDIDMP O=C(N1CC[NH2+]CC1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000159420302 225213014 /nfs/dbraw/zinc/21/30/14/225213014.db2.gz VAEFAHXQYDQBOC-INIZCTEOSA-N 2 1 341.377 1.873 20 70 EDIDMP CC[N@H+]1CCCN(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000159534491 267495160 /nfs/dbraw/zinc/49/51/60/267495160.db2.gz CMQYQILDGDLIKB-SFHVURJKSA-N 2 1 332.492 1.897 20 70 EDIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(-n2cnnn2)cc1 ZINC000160745718 441915734 /nfs/dbraw/zinc/91/57/34/441915734.db2.gz LJFJZCGWQUREDN-MAUKXSAKSA-N 2 1 344.463 1.550 20 70 EDIDMP C[NH+](C)CCN(Cc1ccccn1)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000159643840 441826634 /nfs/dbraw/zinc/82/66/34/441826634.db2.gz CHVMPOKAJSGGID-INIZCTEOSA-N 2 1 336.505 1.409 20 70 EDIDMP CC[N@@H+](C)[C@@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160510958 441891575 /nfs/dbraw/zinc/89/15/75/441891575.db2.gz YNZNPVXSRLJEPA-ZWKOTPCHSA-N 2 1 333.476 1.642 20 70 EDIDMP C[C@H]1C[C@@H](NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC[N@H+]1C ZINC000161202694 441970726 /nfs/dbraw/zinc/97/07/26/441970726.db2.gz BKNRDHASFACYEY-YJBOKZPZSA-N 2 1 332.492 1.550 20 70 EDIDMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)CCN1C ZINC000161202694 441970731 /nfs/dbraw/zinc/97/07/31/441970731.db2.gz BKNRDHASFACYEY-YJBOKZPZSA-N 2 1 332.492 1.550 20 70 EDIDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(Br)c(F)c1 ZINC000161494540 486644752 /nfs/dbraw/zinc/64/47/52/486644752.db2.gz XATBDOBODSTSMP-UHFFFAOYSA-N 2 1 330.245 1.925 20 70 EDIDMP Cc1nccn1CCCC[N@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000161434515 441999883 /nfs/dbraw/zinc/99/98/83/441999883.db2.gz WKVYUPKVRUOKGG-INIZCTEOSA-N 2 1 342.509 1.766 20 70 EDIDMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000161434515 441999887 /nfs/dbraw/zinc/99/98/87/441999887.db2.gz WKVYUPKVRUOKGG-INIZCTEOSA-N 2 1 342.509 1.766 20 70 EDIDMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000161434515 441999888 /nfs/dbraw/zinc/99/98/88/441999888.db2.gz WKVYUPKVRUOKGG-INIZCTEOSA-N 2 1 342.509 1.766 20 70 EDIDMP CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161285954 441980457 /nfs/dbraw/zinc/98/04/57/441980457.db2.gz KBNJUHAEEYYPDJ-MRXNPFEDSA-N 2 1 331.526 1.656 20 70 EDIDMP CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161285954 441980462 /nfs/dbraw/zinc/98/04/62/441980462.db2.gz KBNJUHAEEYYPDJ-MRXNPFEDSA-N 2 1 331.526 1.656 20 70 EDIDMP Cc1nccn1CCC[N@H+](C)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000160258715 225373024 /nfs/dbraw/zinc/37/30/24/225373024.db2.gz PQHVFVSIWWTWSQ-QGZVFWFLSA-N 2 1 340.427 1.841 20 70 EDIDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000160258715 225373027 /nfs/dbraw/zinc/37/30/27/225373027.db2.gz PQHVFVSIWWTWSQ-QGZVFWFLSA-N 2 1 340.427 1.841 20 70 EDIDMP C[C@H](O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000159430812 441813827 /nfs/dbraw/zinc/81/38/27/441813827.db2.gz JIXVFRFPSMVJRA-JQHSSLGASA-N 2 1 333.476 1.498 20 70 EDIDMP O=C(NC[C@@H](O)C[NH+]1CCCCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000160780795 441920627 /nfs/dbraw/zinc/92/06/27/441920627.db2.gz RIMDCAKFAZUIQZ-DOTOQJQBSA-N 2 1 338.496 1.149 20 70 EDIDMP O=C(NC[C@H](O)C[NH+]1CCCCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000160780642 441920668 /nfs/dbraw/zinc/92/06/68/441920668.db2.gz RIMDCAKFAZUIQZ-WBVHZDCISA-N 2 1 338.496 1.149 20 70 EDIDMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)CCCn1ccnc1)c1ccccc1 ZINC000160152993 225350261 /nfs/dbraw/zinc/35/02/61/225350261.db2.gz FODIMNJKDVDCGV-GOSISDBHSA-N 2 1 343.475 1.624 20 70 EDIDMP CC[N@@H+]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC000159717759 529027799 /nfs/dbraw/zinc/02/77/99/529027799.db2.gz SMMHUVBYGDDRSY-UHFFFAOYSA-N 2 1 342.447 1.813 20 70 EDIDMP CC[N@H+]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC000159717759 529027802 /nfs/dbraw/zinc/02/78/02/529027802.db2.gz SMMHUVBYGDDRSY-UHFFFAOYSA-N 2 1 342.447 1.813 20 70 EDIDMP C[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000159943296 441849234 /nfs/dbraw/zinc/84/92/34/441849234.db2.gz KHXKNYHIULZINS-QFBILLFUSA-N 2 1 345.487 1.396 20 70 EDIDMP C[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000159943296 441849243 /nfs/dbraw/zinc/84/92/43/441849243.db2.gz KHXKNYHIULZINS-QFBILLFUSA-N 2 1 345.487 1.396 20 70 EDIDMP C[NH+](C)Cc1cc(CNC(=O)C[N@@H+](C)[C@@H]2CCSC2)ccc1F ZINC000159634953 441826662 /nfs/dbraw/zinc/82/66/62/441826662.db2.gz ZGEFDHGKVCPFFV-OAHLLOKOSA-N 2 1 339.480 1.941 20 70 EDIDMP CC[NH+]1CCN(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CC1 ZINC000161207765 441972704 /nfs/dbraw/zinc/97/27/04/441972704.db2.gz JJKLMFVOEWGXHJ-MRXNPFEDSA-N 2 1 345.491 1.954 20 70 EDIDMP C[NH+](C)CCCC1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000159655571 225255622 /nfs/dbraw/zinc/25/56/22/225255622.db2.gz NRXXNIVYQJHGLM-UHFFFAOYSA-N 2 1 340.512 1.472 20 70 EDIDMP C[N@@H+](CC(=O)NCc1cccc(Cn2ccnc2)c1)[C@H]1CCSC1 ZINC000159824549 441839742 /nfs/dbraw/zinc/83/97/42/441839742.db2.gz PCBISDPLWKKMTI-KRWDZBQOSA-N 2 1 344.484 1.985 20 70 EDIDMP CC[N@@H+](C)[C@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160510800 441891106 /nfs/dbraw/zinc/89/11/06/441891106.db2.gz YNZNPVXSRLJEPA-ROUUACIJSA-N 2 1 333.476 1.642 20 70 EDIDMP C[N@@H+](CCO)C1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000161247202 441977495 /nfs/dbraw/zinc/97/74/95/441977495.db2.gz OKPJLUCKXHWOQW-UHFFFAOYSA-N 2 1 340.512 1.349 20 70 EDIDMP O=C(C[N@H+]1CCCN(CCC[NH+]2CCCCC2)CC1)N1CCCC1 ZINC000161267548 441980010 /nfs/dbraw/zinc/98/00/10/441980010.db2.gz JCFKELZUPYGSLM-UHFFFAOYSA-N 2 1 336.524 1.493 20 70 EDIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(-n2cnnn2)c1 ZINC000160663178 540024520 /nfs/dbraw/zinc/02/45/20/540024520.db2.gz OIPSSRWZUKJTER-MAUKXSAKSA-N 2 1 344.463 1.550 20 70 EDIDMP C[NH+]1CCN([C@@H](C(=O)NCC2([NH3+])CCCCC2)c2ccccc2)CC1 ZINC000159680526 290053515 /nfs/dbraw/zinc/05/35/15/290053515.db2.gz GVIGLSALTYSNCX-GOSISDBHSA-N 2 1 344.503 1.753 20 70 EDIDMP COCCCNC(=O)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000160657608 441905691 /nfs/dbraw/zinc/90/56/91/441905691.db2.gz YSNZEBDXDCNWEK-UHFFFAOYSA-N 2 1 325.497 1.727 20 70 EDIDMP CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000161424460 441997559 /nfs/dbraw/zinc/99/75/59/441997559.db2.gz MFQTTXREYHEGGG-OAHLLOKOSA-N 2 1 348.495 1.078 20 70 EDIDMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000160716864 441913237 /nfs/dbraw/zinc/91/32/37/441913237.db2.gz YTHYXQVVBFKDMW-SFHVURJKSA-N 2 1 334.508 1.988 20 70 EDIDMP C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000161299530 441982174 /nfs/dbraw/zinc/98/21/74/441982174.db2.gz XRWNDYHPELHGNZ-ZFWWWQNUSA-N 2 1 325.478 1.811 20 70 EDIDMP C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000161299530 441982180 /nfs/dbraw/zinc/98/21/80/441982180.db2.gz XRWNDYHPELHGNZ-ZFWWWQNUSA-N 2 1 325.478 1.811 20 70 EDIDMP C[C@@H](c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000161299530 441982186 /nfs/dbraw/zinc/98/21/86/441982186.db2.gz XRWNDYHPELHGNZ-ZFWWWQNUSA-N 2 1 325.478 1.811 20 70 EDIDMP C[C@@H](c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000161299530 441982192 /nfs/dbraw/zinc/98/21/92/441982192.db2.gz XRWNDYHPELHGNZ-ZFWWWQNUSA-N 2 1 325.478 1.811 20 70 EDIDMP C[NH+](C)CCN(Cc1ccccn1)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000159643703 441825793 /nfs/dbraw/zinc/82/57/93/441825793.db2.gz CHVMPOKAJSGGID-MRXNPFEDSA-N 2 1 336.505 1.409 20 70 EDIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000161240217 441976534 /nfs/dbraw/zinc/97/65/34/441976534.db2.gz CNBOQSGFUVGKTK-GPMSIDNRSA-N 2 1 346.519 1.796 20 70 EDIDMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000161240217 441976537 /nfs/dbraw/zinc/97/65/37/441976537.db2.gz CNBOQSGFUVGKTK-GPMSIDNRSA-N 3 1 346.519 1.796 20 70 EDIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000161240217 441976542 /nfs/dbraw/zinc/97/65/42/441976542.db2.gz CNBOQSGFUVGKTK-GPMSIDNRSA-N 3 1 346.519 1.796 20 70 EDIDMP CC1CC[NH+](CC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000160190058 302920706 /nfs/dbraw/zinc/92/07/06/302920706.db2.gz KWGUHPOOOIGTFQ-UHFFFAOYSA-N 2 1 325.497 1.535 20 70 EDIDMP CC[NH+]1CCN(c2ccc(CN[C@@H]3CC[N@@H+](C)[C@H](C)C3)cn2)CC1 ZINC000159465719 441815178 /nfs/dbraw/zinc/81/51/78/441815178.db2.gz YBANZDXNUDCFBD-SJLPKXTDSA-N 2 1 331.508 1.796 20 70 EDIDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000161242582 441976489 /nfs/dbraw/zinc/97/64/89/441976489.db2.gz MIHRHJIANYEEOX-QAPCUYQASA-N 2 1 332.492 1.408 20 70 EDIDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000161242582 441976492 /nfs/dbraw/zinc/97/64/92/441976492.db2.gz MIHRHJIANYEEOX-QAPCUYQASA-N 3 1 332.492 1.408 20 70 EDIDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000161242582 441976497 /nfs/dbraw/zinc/97/64/97/441976497.db2.gz MIHRHJIANYEEOX-QAPCUYQASA-N 3 1 332.492 1.408 20 70 EDIDMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000160716715 441913009 /nfs/dbraw/zinc/91/30/09/441913009.db2.gz YTHYXQVVBFKDMW-GOSISDBHSA-N 2 1 334.508 1.988 20 70 EDIDMP CN1CC[NH+](Cc2ccc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000160759087 486638193 /nfs/dbraw/zinc/63/81/93/486638193.db2.gz UTKSSTCKUJVJMC-ZWKOTPCHSA-N 2 1 330.476 1.434 20 70 EDIDMP COCCN1CCN(C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000161013878 441946659 /nfs/dbraw/zinc/94/66/59/441946659.db2.gz HEUFSDPCUAPHKX-QGZVFWFLSA-N 2 1 340.512 1.471 20 70 EDIDMP COCC[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000161013878 441946661 /nfs/dbraw/zinc/94/66/61/441946661.db2.gz HEUFSDPCUAPHKX-QGZVFWFLSA-N 2 1 340.512 1.471 20 70 EDIDMP COCC[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000161013878 441946663 /nfs/dbraw/zinc/94/66/63/441946663.db2.gz HEUFSDPCUAPHKX-QGZVFWFLSA-N 2 1 340.512 1.471 20 70 EDIDMP COc1ccnc(N2CCN(C(=O)[C@@H]3CCn4ccnc4C3)CC2)c1 ZINC000161429018 441999003 /nfs/dbraw/zinc/99/90/03/441999003.db2.gz ZXOUPGRWLUJJHF-CQSZACIVSA-N 2 1 341.415 1.198 20 70 EDIDMP C[C@@H](C(=O)NCC1CC[NH+](CCO)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000160567397 441897185 /nfs/dbraw/zinc/89/71/85/441897185.db2.gz CAWBUAKFRPMWSM-INIZCTEOSA-N 2 1 345.487 1.254 20 70 EDIDMP C[C@@H](C(=O)NCC1CC[NH+](CCO)CC1)[N@H+]1CCc2ccccc2C1 ZINC000160567397 441897188 /nfs/dbraw/zinc/89/71/88/441897188.db2.gz CAWBUAKFRPMWSM-INIZCTEOSA-N 2 1 345.487 1.254 20 70 EDIDMP C[NH+]1CCN([C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c2ccccc2)CC1 ZINC000159637728 441826261 /nfs/dbraw/zinc/82/62/61/441826261.db2.gz MXHIATAUIZRPNH-OTWHNJEPSA-N 2 1 342.487 1.328 20 70 EDIDMP CCCS(=O)(=O)NC1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000161397969 441995289 /nfs/dbraw/zinc/99/52/89/441995289.db2.gz YZWUYVDFJBNFFA-UHFFFAOYSA-N 2 1 342.509 1.766 20 70 EDIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(-n2cnnn2)c1 ZINC000160663305 540024587 /nfs/dbraw/zinc/02/45/87/540024587.db2.gz OIPSSRWZUKJTER-CRAIPNDOSA-N 2 1 344.463 1.550 20 70 EDIDMP CC[N@H+]1CC[C@H](NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@H](C)C1 ZINC000161229980 206336514 /nfs/dbraw/zinc/33/65/14/206336514.db2.gz RZVWJAYRZGHCFH-APWZRJJASA-N 2 1 346.519 1.798 20 70 EDIDMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)[C@H](C)C1 ZINC000161229980 206336519 /nfs/dbraw/zinc/33/65/19/206336519.db2.gz RZVWJAYRZGHCFH-APWZRJJASA-N 3 1 346.519 1.798 20 70 EDIDMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)[C@H](C)C1 ZINC000161229980 206336524 /nfs/dbraw/zinc/33/65/24/206336524.db2.gz RZVWJAYRZGHCFH-APWZRJJASA-N 3 1 346.519 1.798 20 70 EDIDMP CC(C)[C@H](C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)[NH+](C)C ZINC000160494170 441888244 /nfs/dbraw/zinc/88/82/44/441888244.db2.gz QXQLCTCGSPOPFD-KZNAEPCWSA-N 2 1 333.476 1.324 20 70 EDIDMP CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000161424584 441997627 /nfs/dbraw/zinc/99/76/27/441997627.db2.gz MFQTTXREYHEGGG-HNNXBMFYSA-N 2 1 348.495 1.078 20 70 EDIDMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159413511 302917629 /nfs/dbraw/zinc/91/76/29/302917629.db2.gz PBOCHGKBXYIYNI-KDURUIRLSA-N 2 1 342.487 1.157 20 70 EDIDMP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)cc2F)CC1 ZINC000160997574 486641494 /nfs/dbraw/zinc/64/14/94/486641494.db2.gz TXFWCPNCVVEWST-HOTGVXAUSA-N 2 1 348.466 1.967 20 70 EDIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000161240330 206337223 /nfs/dbraw/zinc/33/72/23/206337223.db2.gz CNBOQSGFUVGKTK-JTDSTZFVSA-N 2 1 346.519 1.796 20 70 EDIDMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000161240330 206337227 /nfs/dbraw/zinc/33/72/27/206337227.db2.gz CNBOQSGFUVGKTK-JTDSTZFVSA-N 3 1 346.519 1.796 20 70 EDIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000161240330 206337230 /nfs/dbraw/zinc/33/72/30/206337230.db2.gz CNBOQSGFUVGKTK-JTDSTZFVSA-N 3 1 346.519 1.796 20 70 EDIDMP C[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000159380961 441807488 /nfs/dbraw/zinc/80/74/88/441807488.db2.gz WIDLOYLDZPMCLZ-HOTGVXAUSA-N 2 1 333.476 1.468 20 70 EDIDMP [NH3+][C@H]1CCC[C@@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000161238254 486643618 /nfs/dbraw/zinc/64/36/18/486643618.db2.gz OXVLEKJFCDBVHX-ZWKOTPCHSA-N 2 1 330.476 1.190 20 70 EDIDMP O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000160088924 225335203 /nfs/dbraw/zinc/33/52/03/225335203.db2.gz IEDHEHCYHAZBGZ-RBUKOAKNSA-N 2 1 345.487 1.614 20 70 EDIDMP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)cc2F)CC1 ZINC000160997675 486641488 /nfs/dbraw/zinc/64/14/88/486641488.db2.gz TXFWCPNCVVEWST-HZPDHXFCSA-N 2 1 348.466 1.967 20 70 EDIDMP CC[N@H+]1CCCN(C(=O)NCC[NH+](C)Cc2ccc(F)cc2)CC1 ZINC000159946749 529024438 /nfs/dbraw/zinc/02/44/38/529024438.db2.gz DXVRXJZLBISERA-UHFFFAOYSA-N 2 1 336.455 1.995 20 70 EDIDMP CC[NH+]1CCCN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000159946749 529024448 /nfs/dbraw/zinc/02/44/48/529024448.db2.gz DXVRXJZLBISERA-UHFFFAOYSA-N 2 1 336.455 1.995 20 70 EDIDMP CC[NH+]1CCCN(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000159946749 529024453 /nfs/dbraw/zinc/02/44/53/529024453.db2.gz DXVRXJZLBISERA-UHFFFAOYSA-N 2 1 336.455 1.995 20 70 EDIDMP CCC[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH+]2C)CC[N@H+]1CCOC ZINC000160977284 441942804 /nfs/dbraw/zinc/94/28/04/441942804.db2.gz FHIKECDBXCUQJZ-JKSUJKDBSA-N 2 1 326.485 1.223 20 70 EDIDMP CCC[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC[NH+]1CCOC ZINC000160977284 441942810 /nfs/dbraw/zinc/94/28/10/441942810.db2.gz FHIKECDBXCUQJZ-JKSUJKDBSA-N 2 1 326.485 1.223 20 70 EDIDMP CCC[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2C)CC[NH+]1CCOC ZINC000160977284 441942811 /nfs/dbraw/zinc/94/28/11/441942811.db2.gz FHIKECDBXCUQJZ-JKSUJKDBSA-N 2 1 326.485 1.223 20 70 EDIDMP COc1ccnc(N2CCN(C(=O)[C@H]3CCn4ccnc4C3)CC2)c1 ZINC000161429104 441998927 /nfs/dbraw/zinc/99/89/27/441998927.db2.gz ZXOUPGRWLUJJHF-AWEZNQCLSA-N 2 1 341.415 1.198 20 70 EDIDMP Cc1nccn1CCC[N@H+](C)[C@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000160258858 225373383 /nfs/dbraw/zinc/37/33/83/225373383.db2.gz PQHVFVSIWWTWSQ-KRWDZBQOSA-N 2 1 340.427 1.841 20 70 EDIDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000160258858 225373388 /nfs/dbraw/zinc/37/33/88/225373388.db2.gz PQHVFVSIWWTWSQ-KRWDZBQOSA-N 2 1 340.427 1.841 20 70 EDIDMP CC[N@@H+]1CCCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000159581153 441822162 /nfs/dbraw/zinc/82/21/62/441822162.db2.gz JIDWNCOLEBVUMB-INIZCTEOSA-N 2 1 326.485 1.080 20 70 EDIDMP CC[N@H+]1CCCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000159581153 441822165 /nfs/dbraw/zinc/82/21/65/441822165.db2.gz JIDWNCOLEBVUMB-INIZCTEOSA-N 2 1 326.485 1.080 20 70 EDIDMP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)cc2F)CC1 ZINC000160997795 486641490 /nfs/dbraw/zinc/64/14/90/486641490.db2.gz TXFWCPNCVVEWST-CVEARBPZSA-N 2 1 348.466 1.967 20 70 EDIDMP COc1cccc(CCC[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000160516645 441891225 /nfs/dbraw/zinc/89/12/25/441891225.db2.gz FDTBZBGRQVZPHY-UHFFFAOYSA-N 2 1 345.487 1.868 20 70 EDIDMP CN1CC[NH+](Cc2ccc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000160759197 486638174 /nfs/dbraw/zinc/63/81/74/486638174.db2.gz UTKSSTCKUJVJMC-ROUUACIJSA-N 2 1 330.476 1.434 20 70 EDIDMP CC[N@H+]1CCCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000159597258 529023533 /nfs/dbraw/zinc/02/35/33/529023533.db2.gz LPNQGGDSEUMVTO-UHFFFAOYSA-N 2 1 345.491 1.783 20 70 EDIDMP C[C@H](O)[C@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000159431071 441813217 /nfs/dbraw/zinc/81/32/17/441813217.db2.gz JIXVFRFPSMVJRA-SZMVWBNQSA-N 2 1 333.476 1.498 20 70 EDIDMP CC[N@H+]1CCCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000159881796 441844833 /nfs/dbraw/zinc/84/48/33/441844833.db2.gz JILPGOVQNPXHAM-INIZCTEOSA-N 2 1 338.496 1.225 20 70 EDIDMP CC[NH2+]CC1CCN(C(=O)[C@@H](C(CC)CC)[NH+]2CCOCC2)CC1 ZINC000161092917 528287071 /nfs/dbraw/zinc/28/70/71/528287071.db2.gz AEMUIJPNBYLLEB-GOSISDBHSA-N 2 1 339.524 1.972 20 70 EDIDMP C[C@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H]1CO ZINC000159442945 441813492 /nfs/dbraw/zinc/81/34/92/441813492.db2.gz PHIBYXUDTILWTK-RYQLBKOJSA-N 2 1 333.476 1.498 20 70 EDIDMP C[NH+](C)Cc1cc(CNC(=O)C[N@@H+](C)[C@H]2CCSC2)ccc1F ZINC000159635104 441825739 /nfs/dbraw/zinc/82/57/39/441825739.db2.gz ZGEFDHGKVCPFFV-HNNXBMFYSA-N 2 1 339.480 1.941 20 70 EDIDMP CC[C@@H](C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)[NH+](C)C ZINC000159455677 529291608 /nfs/dbraw/zinc/29/16/08/529291608.db2.gz NAZLEGAFHQBXRP-KRWDZBQOSA-N 2 1 346.475 1.282 20 70 EDIDMP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)CCc1ccncc1)c1ccccc1 ZINC000160217737 225363001 /nfs/dbraw/zinc/36/30/01/225363001.db2.gz SQTDZHPVHJZSQO-LJQANCHMSA-N 2 1 340.471 1.975 20 70 EDIDMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)CCc1ccncc1)c1ccccc1 ZINC000160217737 225363005 /nfs/dbraw/zinc/36/30/05/225363005.db2.gz SQTDZHPVHJZSQO-LJQANCHMSA-N 2 1 340.471 1.975 20 70 EDIDMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000160677383 441908024 /nfs/dbraw/zinc/90/80/24/441908024.db2.gz CQIQNKOVASNNTF-HNNXBMFYSA-N 2 1 337.430 1.840 20 70 EDIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(-n2cnnn2)cc1 ZINC000160745840 441915539 /nfs/dbraw/zinc/91/55/39/441915539.db2.gz LJFJZCGWQUREDN-CRAIPNDOSA-N 2 1 344.463 1.550 20 70 EDIDMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H]1C(C)(C)O)c1ccccc1 ZINC000159414961 138636651 /nfs/dbraw/zinc/63/66/51/138636651.db2.gz FJUDLEZTDUJPAG-IRXDYDNUSA-N 2 1 333.476 1.641 20 70 EDIDMP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000160338423 441873311 /nfs/dbraw/zinc/87/33/11/441873311.db2.gz KKUSTNMSLAWJHQ-INIZCTEOSA-N 2 1 325.497 1.678 20 70 EDIDMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000160338423 441873316 /nfs/dbraw/zinc/87/33/16/441873316.db2.gz KKUSTNMSLAWJHQ-INIZCTEOSA-N 2 1 325.497 1.678 20 70 EDIDMP [NH3+][C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000161238518 486643630 /nfs/dbraw/zinc/64/36/30/486643630.db2.gz OXVLEKJFCDBVHX-QZTJIDSGSA-N 2 1 330.476 1.190 20 70 EDIDMP C[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000159381044 533649175 /nfs/dbraw/zinc/64/91/75/533649175.db2.gz WIDLOYLDZPMCLZ-CVEARBPZSA-N 2 1 333.476 1.468 20 70 EDIDMP CC[N@H+]1CCCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000159881936 441844599 /nfs/dbraw/zinc/84/45/99/441844599.db2.gz JILPGOVQNPXHAM-MRXNPFEDSA-N 2 1 338.496 1.225 20 70 EDIDMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000160677226 441908197 /nfs/dbraw/zinc/90/81/97/441908197.db2.gz CQIQNKOVASNNTF-OAHLLOKOSA-N 2 1 337.430 1.840 20 70 EDIDMP CC(C)[C@@H](C(=O)NC[C@H](C)[NH+](C)C1CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000216729837 485631374 /nfs/dbraw/zinc/63/13/74/485631374.db2.gz JMDQQYNATSRUGY-MPTYRVRUSA-N 2 1 325.497 1.719 20 70 EDIDMP CC(C)[C@@H](C(=O)NC[C@H](C)[NH+](C)C1CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000216729837 485631381 /nfs/dbraw/zinc/63/13/81/485631381.db2.gz JMDQQYNATSRUGY-MPTYRVRUSA-N 2 1 325.497 1.719 20 70 EDIDMP CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)C1CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000216729837 485631384 /nfs/dbraw/zinc/63/13/84/485631384.db2.gz JMDQQYNATSRUGY-MPTYRVRUSA-N 2 1 325.497 1.719 20 70 EDIDMP CC(C)[C@@H](C(=O)NC[C@H](C)[N@@H+](C)C1CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000216729837 485631391 /nfs/dbraw/zinc/63/13/91/485631391.db2.gz JMDQQYNATSRUGY-MPTYRVRUSA-N 2 1 325.497 1.719 20 70 EDIDMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)C[C@@H]1CCC[C@@H]1O)c1ccccc1 ZINC000159533137 225234129 /nfs/dbraw/zinc/23/41/29/225234129.db2.gz ZEEFXTRYFFPNNX-KSZLIROESA-N 2 1 333.476 1.498 20 70 EDIDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)[C@H](C)C1 ZINC000160551123 441895610 /nfs/dbraw/zinc/89/56/10/441895610.db2.gz UZPYBJFROUBBAH-OLZOCXBDSA-N 2 1 339.402 1.392 20 70 EDIDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)[C@H](C)C1 ZINC000160551123 441895615 /nfs/dbraw/zinc/89/56/15/441895615.db2.gz UZPYBJFROUBBAH-OLZOCXBDSA-N 2 1 339.402 1.392 20 70 EDIDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000160020261 441853794 /nfs/dbraw/zinc/85/37/94/441853794.db2.gz OGWDQVXMUFUGMD-APWZRJJASA-N 2 1 342.487 1.997 20 70 EDIDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000160020261 441853798 /nfs/dbraw/zinc/85/37/98/441853798.db2.gz OGWDQVXMUFUGMD-APWZRJJASA-N 2 1 342.487 1.997 20 70 EDIDMP CC(C)[C@H](C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)[NH+](C)C ZINC000160494015 441888170 /nfs/dbraw/zinc/88/81/70/441888170.db2.gz QXQLCTCGSPOPFD-RCCFBDPRSA-N 2 1 333.476 1.324 20 70 EDIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000161239957 441976159 /nfs/dbraw/zinc/97/61/59/441976159.db2.gz CNBOQSGFUVGKTK-MDZRGWNJSA-N 2 1 346.519 1.796 20 70 EDIDMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000161239957 441976162 /nfs/dbraw/zinc/97/61/62/441976162.db2.gz CNBOQSGFUVGKTK-MDZRGWNJSA-N 3 1 346.519 1.796 20 70 EDIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000161239957 441976167 /nfs/dbraw/zinc/97/61/67/441976167.db2.gz CNBOQSGFUVGKTK-MDZRGWNJSA-N 3 1 346.519 1.796 20 70 EDIDMP [NH3+][C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000161238637 486643465 /nfs/dbraw/zinc/64/34/65/486643465.db2.gz OXVLEKJFCDBVHX-MSOLQXFVSA-N 2 1 330.476 1.190 20 70 EDIDMP O=C(N1CC[NH2+]CC1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000159420148 225213276 /nfs/dbraw/zinc/21/32/76/225213276.db2.gz VAEFAHXQYDQBOC-MRXNPFEDSA-N 2 1 341.377 1.873 20 70 EDIDMP [NH3+]CCCNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000160126150 225343698 /nfs/dbraw/zinc/34/36/98/225343698.db2.gz ROLSNYGPCYAKLA-HNNXBMFYSA-N 2 1 329.366 1.906 20 70 EDIDMP Cn1cc(N2CCC[C@@H]([NH+]3CCC(C[NH+]4CCCC4)CC3)C2=O)cn1 ZINC000160483421 441888711 /nfs/dbraw/zinc/88/87/11/441888711.db2.gz SYUGWJINXBFNPS-GOSISDBHSA-N 2 1 345.491 1.723 20 70 EDIDMP C[NH+]1CCN([C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c2ccccc2)CC1 ZINC000159637876 441826297 /nfs/dbraw/zinc/82/62/97/441826297.db2.gz MXHIATAUIZRPNH-CEXWTWQISA-N 2 1 342.487 1.328 20 70 EDIDMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000160598012 441899447 /nfs/dbraw/zinc/89/94/47/441899447.db2.gz QHTSLDPFJOSZBW-AGIUHOORSA-N 2 1 337.386 1.144 20 70 EDIDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000160598012 441899451 /nfs/dbraw/zinc/89/94/51/441899451.db2.gz QHTSLDPFJOSZBW-AGIUHOORSA-N 2 1 337.386 1.144 20 70 EDIDMP CN1CC[NH+](Cc2ccc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000160759322 486638322 /nfs/dbraw/zinc/63/83/22/486638322.db2.gz UTKSSTCKUJVJMC-QZTJIDSGSA-N 2 1 330.476 1.434 20 70 EDIDMP COc1c(C)c[nH+]c(CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1C ZINC000159419734 274087928 /nfs/dbraw/zinc/08/79/28/274087928.db2.gz GSHATYPOFMCPNS-KRWDZBQOSA-N 2 1 346.475 1.621 20 70 EDIDMP COc1c(C)c[nH+]c(CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1C ZINC000159419734 274087929 /nfs/dbraw/zinc/08/79/29/274087929.db2.gz GSHATYPOFMCPNS-KRWDZBQOSA-N 2 1 346.475 1.621 20 70 EDIDMP CC[N@@H+](C)[C@H](C(=O)NCC1CC[NH+](CCO)CC1)c1ccccc1 ZINC000160704197 441911751 /nfs/dbraw/zinc/91/17/51/441911751.db2.gz LJQJMDDMGBWICV-SFHVURJKSA-N 2 1 333.476 1.500 20 70 EDIDMP CCC[C@H]1CN(C(=O)NC[C@@H]2CCC[NH+]2C)CC[N@H+]1CCOC ZINC000160977423 441942646 /nfs/dbraw/zinc/94/26/46/441942646.db2.gz FHIKECDBXCUQJZ-HOTGVXAUSA-N 2 1 326.485 1.223 20 70 EDIDMP CCC[C@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC[NH+]1CCOC ZINC000160977423 441942652 /nfs/dbraw/zinc/94/26/52/441942652.db2.gz FHIKECDBXCUQJZ-HOTGVXAUSA-N 2 1 326.485 1.223 20 70 EDIDMP CCC[C@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2C)CC[NH+]1CCOC ZINC000160977423 441942655 /nfs/dbraw/zinc/94/26/55/441942655.db2.gz FHIKECDBXCUQJZ-HOTGVXAUSA-N 2 1 326.485 1.223 20 70 EDIDMP COCC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C[C@H]1C ZINC000160854888 441928547 /nfs/dbraw/zinc/92/85/47/441928547.db2.gz PSEHWFQLJZOZFE-HZPDHXFCSA-N 2 1 338.496 1.365 20 70 EDIDMP COCC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C[C@H]1C ZINC000160854888 441928553 /nfs/dbraw/zinc/92/85/53/441928553.db2.gz PSEHWFQLJZOZFE-HZPDHXFCSA-N 2 1 338.496 1.365 20 70 EDIDMP COCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C[C@H]1C ZINC000160854888 441928556 /nfs/dbraw/zinc/92/85/56/441928556.db2.gz PSEHWFQLJZOZFE-HZPDHXFCSA-N 2 1 338.496 1.365 20 70 EDIDMP COCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C[C@H]1C ZINC000160854888 441928559 /nfs/dbraw/zinc/92/85/59/441928559.db2.gz PSEHWFQLJZOZFE-HZPDHXFCSA-N 2 1 338.496 1.365 20 70 EDIDMP CCN1CC[NH+](CCCCNC(=O)N2CCC[N@@H+](CC)CC2)CC1 ZINC000159639127 441826753 /nfs/dbraw/zinc/82/67/53/441826753.db2.gz KYBHPAXMSTYHAM-UHFFFAOYSA-N 2 1 339.528 1.141 20 70 EDIDMP CC[NH+]1CCN(CCCCNC(=O)N2CCC[N@H+](CC)CC2)CC1 ZINC000159639127 441826758 /nfs/dbraw/zinc/82/67/58/441826758.db2.gz KYBHPAXMSTYHAM-UHFFFAOYSA-N 2 1 339.528 1.141 20 70 EDIDMP CC[NH+]1CCN(CCCCNC(=O)N2CCC[N@@H+](CC)CC2)CC1 ZINC000159639127 441826762 /nfs/dbraw/zinc/82/67/62/441826762.db2.gz KYBHPAXMSTYHAM-UHFFFAOYSA-N 2 1 339.528 1.141 20 70 EDIDMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160893554 441932671 /nfs/dbraw/zinc/93/26/71/441932671.db2.gz ISMMIJVFKXYGHX-MRXNPFEDSA-N 2 1 338.496 1.367 20 70 EDIDMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000160893554 441932679 /nfs/dbraw/zinc/93/26/79/441932679.db2.gz ISMMIJVFKXYGHX-MRXNPFEDSA-N 2 1 338.496 1.367 20 70 EDIDMP COc1cc([C@H](C)NC2CC[NH+](C)CC2)ccc1S(C)(=O)=O ZINC000161469478 206349208 /nfs/dbraw/zinc/34/92/08/206349208.db2.gz HAVWNPGIEKMOOI-LBPRGKRZSA-N 2 1 326.462 1.844 20 70 EDIDMP CC[N@H+]1CCCN(C(=O)NC2CC[NH+](CCCOC)CC2)CC1 ZINC000159804797 285210133 /nfs/dbraw/zinc/21/01/33/285210133.db2.gz YUHBYACGUFSJEW-UHFFFAOYSA-N 2 1 326.485 1.225 20 70 EDIDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCN2CCCC2=O)[C@H](C)C1 ZINC000159503206 441817619 /nfs/dbraw/zinc/81/76/19/441817619.db2.gz KLMJREFGLBRLRC-IAGOWNOFSA-N 2 1 325.497 1.726 20 70 EDIDMP CC[NH+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000160377630 206294605 /nfs/dbraw/zinc/29/46/05/206294605.db2.gz BKEZMBFXNFKQNP-SJLPKXTDSA-N 2 1 330.476 1.997 20 70 EDIDMP CC[NH+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000160377630 206294608 /nfs/dbraw/zinc/29/46/08/206294608.db2.gz BKEZMBFXNFKQNP-SJLPKXTDSA-N 2 1 330.476 1.997 20 70 EDIDMP CC[N@@H+]1CCCN(C(=O)NCC[NH+]2CCc3sccc3C2)CC1 ZINC000159735184 276366828 /nfs/dbraw/zinc/36/68/28/276366828.db2.gz JLEMCAIXFROLOR-UHFFFAOYSA-N 2 1 336.505 1.843 20 70 EDIDMP CC[N@H+]1CCCN(C(=O)NCC[NH+]2CCc3sccc3C2)CC1 ZINC000159735184 276366829 /nfs/dbraw/zinc/36/68/29/276366829.db2.gz JLEMCAIXFROLOR-UHFFFAOYSA-N 2 1 336.505 1.843 20 70 EDIDMP CC[NH+]1CCCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000159735184 276366830 /nfs/dbraw/zinc/36/68/30/276366830.db2.gz JLEMCAIXFROLOR-UHFFFAOYSA-N 2 1 336.505 1.843 20 70 EDIDMP CC[NH+]1CCCN(C(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000159735184 276366831 /nfs/dbraw/zinc/36/68/31/276366831.db2.gz JLEMCAIXFROLOR-UHFFFAOYSA-N 2 1 336.505 1.843 20 70 EDIDMP CCN(CC)C(=O)C[N@H+]1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000160540492 441893770 /nfs/dbraw/zinc/89/37/70/441893770.db2.gz BYYCNLMEFUXQRY-UHFFFAOYSA-N 2 1 338.540 1.739 20 70 EDIDMP C[NH+]1CCN([C@H](C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c2ccccc2)CC1 ZINC000161428362 486644360 /nfs/dbraw/zinc/64/43/60/486644360.db2.gz KXAQFCGXRHVDGB-KSZLIROESA-N 2 1 330.476 1.361 20 70 EDIDMP COCC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C[C@@H]1C ZINC000160855024 285043297 /nfs/dbraw/zinc/04/32/97/285043297.db2.gz PSEHWFQLJZOZFE-JKSUJKDBSA-N 2 1 338.496 1.365 20 70 EDIDMP COCC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C[C@@H]1C ZINC000160855024 285043298 /nfs/dbraw/zinc/04/32/98/285043298.db2.gz PSEHWFQLJZOZFE-JKSUJKDBSA-N 2 1 338.496 1.365 20 70 EDIDMP COCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C[C@@H]1C ZINC000160855024 285043299 /nfs/dbraw/zinc/04/32/99/285043299.db2.gz PSEHWFQLJZOZFE-JKSUJKDBSA-N 2 1 338.496 1.365 20 70 EDIDMP COCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C[C@@H]1C ZINC000160855024 285043300 /nfs/dbraw/zinc/04/33/00/285043300.db2.gz PSEHWFQLJZOZFE-JKSUJKDBSA-N 2 1 338.496 1.365 20 70 EDIDMP C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000161299626 441981853 /nfs/dbraw/zinc/98/18/53/441981853.db2.gz XRWNDYHPELHGNZ-HIFRSBDPSA-N 2 1 325.478 1.811 20 70 EDIDMP C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000161299626 441981858 /nfs/dbraw/zinc/98/18/58/441981858.db2.gz XRWNDYHPELHGNZ-HIFRSBDPSA-N 2 1 325.478 1.811 20 70 EDIDMP C[C@H](c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000161299626 441981861 /nfs/dbraw/zinc/98/18/61/441981861.db2.gz XRWNDYHPELHGNZ-HIFRSBDPSA-N 2 1 325.478 1.811 20 70 EDIDMP C[C@H](c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000161299626 441981864 /nfs/dbraw/zinc/98/18/64/441981864.db2.gz XRWNDYHPELHGNZ-HIFRSBDPSA-N 2 1 325.478 1.811 20 70 EDIDMP O=C(c1ccco1)N1CCC([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000160764237 441918147 /nfs/dbraw/zinc/91/81/47/441918147.db2.gz YNESLUOQGIMTDQ-QGZVFWFLSA-N 2 1 349.475 1.711 20 70 EDIDMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000161401827 441997128 /nfs/dbraw/zinc/99/71/28/441997128.db2.gz FZJNTKYDZMQSDV-VNHYZAJKSA-N 2 1 325.478 1.728 20 70 EDIDMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000161401827 441997134 /nfs/dbraw/zinc/99/71/34/441997134.db2.gz FZJNTKYDZMQSDV-VNHYZAJKSA-N 2 1 325.478 1.728 20 70 EDIDMP CC[N@H+]1CCCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000159579191 441822951 /nfs/dbraw/zinc/82/29/51/441822951.db2.gz KBIZOAXINPCSHM-IYBDPMFKSA-N 2 1 326.485 1.223 20 70 EDIDMP CC[NH+]1CCCN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000159579191 441822959 /nfs/dbraw/zinc/82/29/59/441822959.db2.gz KBIZOAXINPCSHM-IYBDPMFKSA-N 2 1 326.485 1.223 20 70 EDIDMP CC[NH+]1CCCN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000159579191 441822964 /nfs/dbraw/zinc/82/29/64/441822964.db2.gz KBIZOAXINPCSHM-IYBDPMFKSA-N 2 1 326.485 1.223 20 70 EDIDMP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cnccn1 ZINC000161240463 441976033 /nfs/dbraw/zinc/97/60/33/441976033.db2.gz FFBKXDZCAWBEGP-AWEZNQCLSA-N 2 1 327.432 1.619 20 70 EDIDMP CN(c1ccccc1C[N@H+]1CCC[C@@H]1C(N)=O)C1CC[NH+](C)CC1 ZINC000160343776 530036966 /nfs/dbraw/zinc/03/69/66/530036966.db2.gz KVZSFLQPJAWCIR-GOSISDBHSA-N 2 1 330.476 1.667 20 70 EDIDMP C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)C[NH+]1CCOCC1 ZINC000160826311 278277165 /nfs/dbraw/zinc/27/71/65/278277165.db2.gz XZGONFSOFKTUOM-HOTGVXAUSA-N 2 1 338.496 1.271 20 70 EDIDMP C[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)C[NH+]1CCOCC1 ZINC000160826311 278277167 /nfs/dbraw/zinc/27/71/67/278277167.db2.gz XZGONFSOFKTUOM-HOTGVXAUSA-N 2 1 338.496 1.271 20 70 EDIDMP CC[N@@H+]1CCCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000159572338 279285080 /nfs/dbraw/zinc/28/50/80/279285080.db2.gz CINDUIIIWONFQK-IYBDPMFKSA-N 2 1 340.512 1.611 20 70 EDIDMP CC[N@H+]1CCCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000159572338 279285083 /nfs/dbraw/zinc/28/50/83/279285083.db2.gz CINDUIIIWONFQK-IYBDPMFKSA-N 2 1 340.512 1.611 20 70 EDIDMP CC[NH+]1CCCN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000159572338 279285087 /nfs/dbraw/zinc/28/50/87/279285087.db2.gz CINDUIIIWONFQK-IYBDPMFKSA-N 2 1 340.512 1.611 20 70 EDIDMP CC[NH+]1CCCN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000159572338 279285090 /nfs/dbraw/zinc/28/50/90/279285090.db2.gz CINDUIIIWONFQK-IYBDPMFKSA-N 2 1 340.512 1.611 20 70 EDIDMP O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000160634415 441904129 /nfs/dbraw/zinc/90/41/29/441904129.db2.gz ASHBBNMPGUDEQD-IBGZPJMESA-N 2 1 345.487 1.472 20 70 EDIDMP CCc1ncc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cn1 ZINC000161167733 441965773 /nfs/dbraw/zinc/96/57/73/441965773.db2.gz XWVKJCQQYSMYSI-INIZCTEOSA-N 2 1 348.495 1.919 20 70 EDIDMP