smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCN1CC[N@H+](C)C2(CCN(c3nc(SC)nc(Cl)c3[N+](=O)[O-])CC2)C1=O ZINC001164633806 719269029 /nfs/dbraw/zinc/26/90/29/719269029.db2.gz IALSKTNEEYFKJU-UHFFFAOYSA-N 1 2 444.945 1.520 20 5 IDBDLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(SC)nc(Cl)c3[N+](=O)[O-])CC2)C1=O ZINC001164633806 719269032 /nfs/dbraw/zinc/26/90/32/719269032.db2.gz IALSKTNEEYFKJU-UHFFFAOYSA-N 1 2 444.945 1.520 20 5 IDBDLO COCCN1CC[N@H+](C)C2(CCN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])CC2)C1=O ZINC001164633848 719271642 /nfs/dbraw/zinc/27/16/42/719271642.db2.gz IWPRXIAUJJQDRW-UHFFFAOYSA-N 1 2 448.911 1.951 20 5 IDBDLO COCCN1CC[N@@H+](C)C2(CCN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])CC2)C1=O ZINC001164633848 719271643 /nfs/dbraw/zinc/27/16/43/719271643.db2.gz IWPRXIAUJJQDRW-UHFFFAOYSA-N 1 2 448.911 1.951 20 5 IDBDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(SC)nc(Cl)c1[N+](=O)[O-] ZINC001164700417 719842636 /nfs/dbraw/zinc/84/26/36/719842636.db2.gz KJCJYJFXRSOJCT-PIGZYNQJSA-N 1 2 445.929 1.993 20 5 IDBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(SC)nc(Cl)c1[N+](=O)[O-] ZINC001164700416 719842918 /nfs/dbraw/zinc/84/29/18/719842918.db2.gz KJCJYJFXRSOJCT-GTNSWQLSSA-N 1 2 445.929 1.993 20 5 IDBDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc(SC)c1[N+](=O)[O-] ZINC001164698847 719857478 /nfs/dbraw/zinc/85/74/78/719857478.db2.gz DXBARJPCVTZCHR-PIGZYNQJSA-N 1 2 445.929 1.993 20 5 IDBDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc3c(cccc3[N+](=O)[O-])n1)CC2 ZINC001164709357 719907246 /nfs/dbraw/zinc/90/72/46/719907246.db2.gz UJFBRAPXEMGXIR-UHFFFAOYSA-N 1 2 435.488 1.827 20 5 IDBDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc3cccc([N+](=O)[O-])c31)CC2 ZINC001164708832 719934583 /nfs/dbraw/zinc/93/45/83/719934583.db2.gz TVQBOIUOYLCAAT-UHFFFAOYSA-N 1 2 436.476 1.222 20 5 IDBDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cnc3ccc([N+](=O)[O-])cc3n1)CC2 ZINC001164704175 719937477 /nfs/dbraw/zinc/93/74/77/719937477.db2.gz OEJGPPIHTZXIMW-UHFFFAOYSA-N 1 2 436.476 1.222 20 5 IDBDLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc([N+](=O)[O-])cc4N)CC3)C2=O)cs1 ZINC001164820732 720377561 /nfs/dbraw/zinc/37/75/61/720377561.db2.gz RYPGNWGLQVYVJD-UHFFFAOYSA-N 1 2 431.522 1.650 20 5 IDBDLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc([N+](=O)[O-])cc4N)CC3)C2=O)cs1 ZINC001164820732 720377569 /nfs/dbraw/zinc/37/75/69/720377569.db2.gz RYPGNWGLQVYVJD-UHFFFAOYSA-N 1 2 431.522 1.650 20 5 IDBDLO Cc1c(C)c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC001164831241 720457118 /nfs/dbraw/zinc/45/71/18/720457118.db2.gz NWMHQMGOZQFNDQ-QGZVFWFLSA-N 1 2 430.509 1.793 20 5 IDBDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)C2 ZINC001164829996 720463862 /nfs/dbraw/zinc/46/38/62/720463862.db2.gz IOCUPXGUQLKTOI-OAHLLOKOSA-N 1 2 441.492 1.657 20 5 IDBDLO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164914892 721788475 /nfs/dbraw/zinc/78/84/75/721788475.db2.gz HDOFAGNRHUBMPR-IBGZPJMESA-N 1 2 435.868 1.384 20 5 IDBDLO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164914892 721788476 /nfs/dbraw/zinc/78/84/76/721788476.db2.gz HDOFAGNRHUBMPR-IBGZPJMESA-N 1 2 435.868 1.384 20 5 IDBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914402 721801547 /nfs/dbraw/zinc/80/15/47/721801547.db2.gz MZNSZCZOBMPHGV-NRFANRHFSA-N 1 2 443.460 1.279 20 5 IDBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914402 721801551 /nfs/dbraw/zinc/80/15/51/721801551.db2.gz MZNSZCZOBMPHGV-NRFANRHFSA-N 1 2 443.460 1.279 20 5 IDBDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001164700389 719847333 /nfs/dbraw/zinc/84/73/33/719847333.db2.gz JYKHTSVCJPAOMR-QLJPJBMISA-N 1 2 434.280 1.924 20 5 IDBDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc(SC)c1[N+](=O)[O-] ZINC001164698843 719857362 /nfs/dbraw/zinc/85/73/62/719857362.db2.gz DXBARJPCVTZCHR-DIFFPNOSSA-N 1 2 445.929 1.993 20 5 IDBDLO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708713 719903488 /nfs/dbraw/zinc/90/34/88/719903488.db2.gz IMHIMSWEQYYLEW-UHFFFAOYSA-N 1 2 433.900 1.635 20 5 IDBDLO CCOc1nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)ccc1[N+](=O)[O-] ZINC001164708772 719916889 /nfs/dbraw/zinc/91/68/89/719916889.db2.gz PSHAUXVTFMXPAP-UHFFFAOYSA-N 1 2 429.481 1.072 20 5 IDBDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])C2)C1 ZINC001164718330 720231996 /nfs/dbraw/zinc/23/19/96/720231996.db2.gz DONWJNQHDYBWJV-HXUWFJFHSA-N 1 2 448.911 1.856 20 5 IDBDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])C2)C1 ZINC001164718330 720232005 /nfs/dbraw/zinc/23/20/05/720232005.db2.gz DONWJNQHDYBWJV-HXUWFJFHSA-N 1 2 448.911 1.856 20 5 IDBDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc([N+](=O)[O-])cc(Cl)n1)C2 ZINC001164823720 720430434 /nfs/dbraw/zinc/43/04/34/720430434.db2.gz JITBQYWEEBRVJW-AWEZNQCLSA-N 1 2 436.900 1.829 20 5 IDBDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)ncc1[N+](=O)[O-])C2 ZINC001164828564 720430468 /nfs/dbraw/zinc/43/04/68/720430468.db2.gz XLSPLAMAOUUWPI-CYBMUJFWSA-N 1 2 437.888 1.224 20 5 IDBDLO Cc1nc(Cl)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1[N+](=O)[O-] ZINC001164911618 721768447 /nfs/dbraw/zinc/76/84/47/721768447.db2.gz HUPXAFAXEGXWGS-LJQANCHMSA-N 1 2 434.884 1.849 20 5 IDBDLO Cc1nc(Cl)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1[N+](=O)[O-] ZINC001164911618 721768453 /nfs/dbraw/zinc/76/84/53/721768453.db2.gz HUPXAFAXEGXWGS-LJQANCHMSA-N 1 2 434.884 1.849 20 5 IDBDLO COc1nc(C)c([N+](=O)[O-])c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915625 721782563 /nfs/dbraw/zinc/78/25/63/721782563.db2.gz MEKLNQJNYGTUFR-FQEVSTJZSA-N 1 2 430.465 1.205 20 5 IDBDLO COc1nc(C)c([N+](=O)[O-])c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915625 721782571 /nfs/dbraw/zinc/78/25/71/721782571.db2.gz MEKLNQJNYGTUFR-FQEVSTJZSA-N 1 2 430.465 1.205 20 5 IDBDLO COC(=O)c1ccnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1[N+](=O)[O-] ZINC001164915202 721785559 /nfs/dbraw/zinc/78/55/59/721785559.db2.gz KHBQWPSZKSSOFG-NRFANRHFSA-N 1 2 443.460 1.279 20 5 IDBDLO COC(=O)c1ccnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1[N+](=O)[O-] ZINC001164915202 721785560 /nfs/dbraw/zinc/78/55/60/721785560.db2.gz KHBQWPSZKSSOFG-NRFANRHFSA-N 1 2 443.460 1.279 20 5 IDBDLO Cc1cc([N+](=O)[O-])c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1Cl ZINC001164702412 719903754 /nfs/dbraw/zinc/90/37/54/719903754.db2.gz FYKSLYAHJIFZDM-UHFFFAOYSA-N 1 2 433.900 1.635 20 5 IDBDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nccc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164708033 719919480 /nfs/dbraw/zinc/91/94/80/719919480.db2.gz AQSVYCACBCJDIY-UHFFFAOYSA-N 1 2 435.488 1.827 20 5 IDBDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164718494 720229900 /nfs/dbraw/zinc/22/99/00/720229900.db2.gz MLHHRDOBBOAGBW-MRXNPFEDSA-N 1 2 433.296 1.356 20 5 IDBDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164718494 720229909 /nfs/dbraw/zinc/22/99/09/720229909.db2.gz MLHHRDOBBOAGBW-MRXNPFEDSA-N 1 2 433.296 1.356 20 5 IDBDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164719357 720244131 /nfs/dbraw/zinc/24/41/31/720244131.db2.gz LEQRFQCIHWXVDD-QGZVFWFLSA-N 1 2 432.308 1.961 20 5 IDBDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164719357 720244137 /nfs/dbraw/zinc/24/41/37/720244137.db2.gz LEQRFQCIHWXVDD-QGZVFWFLSA-N 1 2 432.308 1.961 20 5 IDBDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)cc([N+](=O)[O-])n1)C2 ZINC001164824055 720445774 /nfs/dbraw/zinc/44/57/74/720445774.db2.gz LNQUDICCYJBCRX-CQSZACIVSA-N 1 2 436.900 1.829 20 5 IDBDLO Cc1cc(C)c([N+](=O)[O-])c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164831798 720457120 /nfs/dbraw/zinc/45/71/20/720457120.db2.gz QNQWSIQZZIPIEZ-QGZVFWFLSA-N 1 2 430.509 1.793 20 5 IDBDLO COC(=O)c1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001164943653 721972192 /nfs/dbraw/zinc/97/21/92/721972192.db2.gz AYHVWQYBHDJMEO-UHFFFAOYSA-N 1 2 439.472 1.747 20 5 IDBDLO COC(=O)c1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001164943653 721972193 /nfs/dbraw/zinc/97/21/93/721972193.db2.gz AYHVWQYBHDJMEO-UHFFFAOYSA-N 1 2 439.472 1.747 20 5 IDBDLO COc1nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc(OC)c1[N+](=O)[O-] ZINC001164943760 721973901 /nfs/dbraw/zinc/97/39/01/721973901.db2.gz DPRUBEQZVYDCAK-UHFFFAOYSA-N 1 2 442.476 1.373 20 5 IDBDLO COc1nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc(OC)c1[N+](=O)[O-] ZINC001164943760 721973903 /nfs/dbraw/zinc/97/39/03/721973903.db2.gz DPRUBEQZVYDCAK-UHFFFAOYSA-N 1 2 442.476 1.373 20 5 IDBDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(SC)nc(Cl)c1[N+](=O)[O-] ZINC001164700415 719842992 /nfs/dbraw/zinc/84/29/92/719842992.db2.gz KJCJYJFXRSOJCT-DIFFPNOSSA-N 1 2 445.929 1.993 20 5 IDBDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C2)C1 ZINC001164720102 720233987 /nfs/dbraw/zinc/23/39/87/720233987.db2.gz RHLHZRGAORDFEU-QGZVFWFLSA-N 1 2 447.870 1.853 20 5 IDBDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C2)C1 ZINC001164720102 720233996 /nfs/dbraw/zinc/23/39/96/720233996.db2.gz RHLHZRGAORDFEU-QGZVFWFLSA-N 1 2 447.870 1.853 20 5 IDBDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164719356 720242816 /nfs/dbraw/zinc/24/28/16/720242816.db2.gz LEQRFQCIHWXVDD-KRWDZBQOSA-N 1 2 432.308 1.961 20 5 IDBDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164719356 720242824 /nfs/dbraw/zinc/24/28/24/720242824.db2.gz LEQRFQCIHWXVDD-KRWDZBQOSA-N 1 2 432.308 1.961 20 5 IDBDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc(SC)c3[N+](=O)[O-])C2)C1 ZINC001164719726 720259386 /nfs/dbraw/zinc/25/93/86/720259386.db2.gz OFNZZNSFGKYHSY-QGZVFWFLSA-N 1 2 444.945 1.425 20 5 IDBDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc(SC)c3[N+](=O)[O-])C2)C1 ZINC001164719726 720259388 /nfs/dbraw/zinc/25/93/88/720259388.db2.gz OFNZZNSFGKYHSY-QGZVFWFLSA-N 1 2 444.945 1.425 20 5 IDBDLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)ncc4[N+](=O)[O-])CC3)C2=O)cs1 ZINC001164823323 720367702 /nfs/dbraw/zinc/36/77/02/720367702.db2.gz DUYPQPGDWAWUII-UHFFFAOYSA-N 1 2 431.522 1.771 20 5 IDBDLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)ncc4[N+](=O)[O-])CC3)C2=O)cs1 ZINC001164823323 720367707 /nfs/dbraw/zinc/36/77/07/720367707.db2.gz DUYPQPGDWAWUII-UHFFFAOYSA-N 1 2 431.522 1.771 20 5 IDBDLO COc1cc(C)nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC001164822700 720448105 /nfs/dbraw/zinc/44/81/05/720448105.db2.gz GQIRCXPECDVJOF-MRXNPFEDSA-N 1 2 446.508 1.493 20 5 IDBDLO COC(=O)c1nc(Cl)nc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c1[N+](=O)[O-] ZINC001165010973 721697924 /nfs/dbraw/zinc/69/79/24/721697924.db2.gz YMRJNFCQJFQJLZ-UHFFFAOYSA-N 1 2 438.876 1.667 20 5 IDBDLO COC(=O)c1nc(Cl)nc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c1[N+](=O)[O-] ZINC001165010973 721697927 /nfs/dbraw/zinc/69/79/27/721697927.db2.gz YMRJNFCQJFQJLZ-UHFFFAOYSA-N 1 2 438.876 1.667 20 5 IDBDLO COc1nc(C)c([N+](=O)[O-])c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915627 721782391 /nfs/dbraw/zinc/78/23/91/721782391.db2.gz MEKLNQJNYGTUFR-HXUWFJFHSA-N 1 2 430.465 1.205 20 5 IDBDLO COc1nc(C)c([N+](=O)[O-])c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915627 721782394 /nfs/dbraw/zinc/78/23/94/721782394.db2.gz MEKLNQJNYGTUFR-HXUWFJFHSA-N 1 2 430.465 1.205 20 5 IDBDLO CCOC(=O)c1ccnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1[N+](=O)[O-] ZINC001164708262 719876340 /nfs/dbraw/zinc/87/63/40/719876340.db2.gz ZCVXETSXWDJGSY-VLIAUNLRSA-N 1 2 436.465 1.399 20 5 IDBDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164709664 719905251 /nfs/dbraw/zinc/90/52/51/719905251.db2.gz ZJICGBASCPNIMJ-UHFFFAOYSA-N 1 2 436.476 1.222 20 5 IDBDLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC001164944434 721972143 /nfs/dbraw/zinc/97/21/43/721972143.db2.gz ISDYACAYBGVOMG-UHFFFAOYSA-N 1 2 426.433 1.869 20 5 IDBDLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC001164944434 721972145 /nfs/dbraw/zinc/97/21/45/721972145.db2.gz ISDYACAYBGVOMG-UHFFFAOYSA-N 1 2 426.433 1.869 20 5 IDBDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc(SC)c1[N+](=O)[O-] ZINC001164698840 719857447 /nfs/dbraw/zinc/85/74/47/719857447.db2.gz DXBARJPCVTZCHR-APPDUMDISA-N 1 2 445.929 1.993 20 5 IDBDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc([N+](=O)[O-])c3ccccc31)CC2 ZINC001164709549 719904914 /nfs/dbraw/zinc/90/49/14/719904914.db2.gz YGLKIJGPKLEXFJ-UHFFFAOYSA-N 1 2 435.488 1.827 20 5 IDBDLO CCOc1nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC001164831218 720464022 /nfs/dbraw/zinc/46/40/22/720464022.db2.gz NSUVZDYRAFQYLZ-MRXNPFEDSA-N 1 2 446.508 1.575 20 5 IDBDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)C2 ZINC001164829993 720464066 /nfs/dbraw/zinc/46/40/66/720464066.db2.gz IOCUPXGUQLKTOI-HNNXBMFYSA-N 1 2 441.492 1.657 20 5 IDBDLO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164910284 721773244 /nfs/dbraw/zinc/77/32/44/721773244.db2.gz BDDRNBQUEMMYDI-IBGZPJMESA-N 1 2 434.884 1.849 20 5 IDBDLO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164910284 721773248 /nfs/dbraw/zinc/77/32/48/721773248.db2.gz BDDRNBQUEMMYDI-IBGZPJMESA-N 1 2 434.884 1.849 20 5 IDBDLO COc1cc(C)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1[N+](=O)[O-] ZINC001164917492 721779827 /nfs/dbraw/zinc/77/98/27/721779827.db2.gz XSSUNTVPKUCDPD-NRFANRHFSA-N 1 2 429.477 1.810 20 5 IDBDLO COc1cc(C)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1[N+](=O)[O-] ZINC001164917492 721779831 /nfs/dbraw/zinc/77/98/31/721779831.db2.gz XSSUNTVPKUCDPD-NRFANRHFSA-N 1 2 429.477 1.810 20 5 IDBDLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])CC2 ZINC001164945973 721976334 /nfs/dbraw/zinc/97/63/34/721976334.db2.gz HPLKBXNXNFLARC-UHFFFAOYSA-N 1 2 431.880 1.853 20 5 IDBDLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])CC2 ZINC001164945973 721976337 /nfs/dbraw/zinc/97/63/37/721976337.db2.gz HPLKBXNXNFLARC-UHFFFAOYSA-N 1 2 431.880 1.853 20 5 IDBDLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)CC2)C1=O ZINC001164644322 719282402 /nfs/dbraw/zinc/28/24/02/719282402.db2.gz IIKNOCXEKFUVNE-UHFFFAOYSA-N 1 2 440.504 1.811 20 5 IDBDLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)CC2)C1=O ZINC001164644322 719282405 /nfs/dbraw/zinc/28/24/05/719282405.db2.gz IIKNOCXEKFUVNE-UHFFFAOYSA-N 1 2 440.504 1.811 20 5 IDBDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc3ccc([N+](=O)[O-])cc3n1)CC2 ZINC001164708414 719903453 /nfs/dbraw/zinc/90/34/53/719903453.db2.gz CUORRFQPDUUVIU-UHFFFAOYSA-N 1 2 435.488 1.827 20 5 IDBDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc3ccccc3cc1[N+](=O)[O-])CC2 ZINC001164709669 719915764 /nfs/dbraw/zinc/91/57/64/719915764.db2.gz ZNTZCGRIUUZTKE-UHFFFAOYSA-N 1 2 435.488 1.827 20 5 IDBDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cnc3cc([N+](=O)[O-])ccc3n1)CC2 ZINC001164703125 719939328 /nfs/dbraw/zinc/93/93/28/719939328.db2.gz IUIMEUCBVPCLGO-UHFFFAOYSA-N 1 2 436.476 1.222 20 5 IDBDLO Cc1cc(Cl)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1[N+](=O)[O-] ZINC001164704807 720048466 /nfs/dbraw/zinc/04/84/66/720048466.db2.gz SLBSLPQAWWQFPY-UHFFFAOYSA-N 1 2 433.900 1.635 20 5 IDBDLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc([N+](=O)[O-])c(C)n4)CC3)C2=O)cs1 ZINC001164820814 720382380 /nfs/dbraw/zinc/38/23/80/720382380.db2.gz COYJEZOIWDVKOC-UHFFFAOYSA-N 1 2 431.522 1.771 20 5 IDBDLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc([N+](=O)[O-])c(C)n4)CC3)C2=O)cs1 ZINC001164820814 720382386 /nfs/dbraw/zinc/38/23/86/720382386.db2.gz COYJEZOIWDVKOC-UHFFFAOYSA-N 1 2 431.522 1.771 20 5 IDBDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)cc([N+](=O)[O-])n1)C2 ZINC001164824054 720444921 /nfs/dbraw/zinc/44/49/21/720444921.db2.gz LNQUDICCYJBCRX-AWEZNQCLSA-N 1 2 436.900 1.829 20 5 IDBDLO COc1cc(C)nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC001164822699 720448315 /nfs/dbraw/zinc/44/83/15/720448315.db2.gz GQIRCXPECDVJOF-INIZCTEOSA-N 1 2 446.508 1.493 20 5 IDBDLO Cc1cc(C)c([N+](=O)[O-])c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164831797 720458060 /nfs/dbraw/zinc/45/80/60/720458060.db2.gz QNQWSIQZZIPIEZ-KRWDZBQOSA-N 1 2 430.509 1.793 20 5 IDBDLO COc1cc(C)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1[N+](=O)[O-] ZINC001164917493 721780406 /nfs/dbraw/zinc/78/04/06/721780406.db2.gz XSSUNTVPKUCDPD-OAQYLSRUSA-N 1 2 429.477 1.810 20 5 IDBDLO COc1cc(C)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1[N+](=O)[O-] ZINC001164917493 721780408 /nfs/dbraw/zinc/78/04/08/721780408.db2.gz XSSUNTVPKUCDPD-OAQYLSRUSA-N 1 2 429.477 1.810 20 5 IDBDLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc(SC)c3[N+](=O)[O-])CC2)C1=O ZINC001164639959 719276098 /nfs/dbraw/zinc/27/60/98/719276098.db2.gz MECSRUOXTYJRLC-UHFFFAOYSA-N 1 2 444.945 1.520 20 5 IDBDLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc(SC)c3[N+](=O)[O-])CC2)C1=O ZINC001164639959 719276102 /nfs/dbraw/zinc/27/61/02/719276102.db2.gz MECSRUOXTYJRLC-UHFFFAOYSA-N 1 2 444.945 1.520 20 5 IDBDLO CC(C)Oc1nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)ccc1[N+](=O)[O-] ZINC001164708576 719927482 /nfs/dbraw/zinc/92/74/82/719927482.db2.gz LLJDJVDCDLMFQN-UHFFFAOYSA-N 1 2 443.508 1.461 20 5 IDBDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC001164716709 720215315 /nfs/dbraw/zinc/21/53/15/720215315.db2.gz DCZJPKXJSCCNDT-KRWDZBQOSA-N 1 2 447.870 1.853 20 5 IDBDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC001164716709 720215325 /nfs/dbraw/zinc/21/53/25/720215325.db2.gz DCZJPKXJSCCNDT-KRWDZBQOSA-N 1 2 447.870 1.853 20 5 IDBDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C2)C1 ZINC001164717225 720226354 /nfs/dbraw/zinc/22/63/54/720226354.db2.gz GVLPSMWLHVYBBH-QGZVFWFLSA-N 1 2 447.870 1.853 20 5 IDBDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C2)C1 ZINC001164717225 720226367 /nfs/dbraw/zinc/22/63/67/720226367.db2.gz GVLPSMWLHVYBBH-QGZVFWFLSA-N 1 2 447.870 1.853 20 5 IDBDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164718493 720230078 /nfs/dbraw/zinc/23/00/78/720230078.db2.gz MLHHRDOBBOAGBW-INIZCTEOSA-N 1 2 433.296 1.356 20 5 IDBDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164718493 720230096 /nfs/dbraw/zinc/23/00/96/720230096.db2.gz MLHHRDOBBOAGBW-INIZCTEOSA-N 1 2 433.296 1.356 20 5 IDBDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])C2)C1 ZINC001164718327 720231740 /nfs/dbraw/zinc/23/17/40/720231740.db2.gz DONWJNQHDYBWJV-FQEVSTJZSA-N 1 2 448.911 1.856 20 5 IDBDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])C2)C1 ZINC001164718327 720231748 /nfs/dbraw/zinc/23/17/48/720231748.db2.gz DONWJNQHDYBWJV-FQEVSTJZSA-N 1 2 448.911 1.856 20 5 IDBDLO COc1cnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC001164826264 720449030 /nfs/dbraw/zinc/44/90/30/720449030.db2.gz VIPSYGSTBOWZIW-OAHLLOKOSA-N 1 2 432.481 1.185 20 5 IDBDLO O=[N+]([O-])c1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c([N+](=O)[O-])c1 ZINC001164912751 721776181 /nfs/dbraw/zinc/77/61/81/721776181.db2.gz PJPWAPZBIDMSQD-LJQANCHMSA-N 1 2 430.421 1.401 20 5 IDBDLO O=[N+]([O-])c1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c([N+](=O)[O-])c1 ZINC001164912751 721776184 /nfs/dbraw/zinc/77/61/84/721776184.db2.gz PJPWAPZBIDMSQD-LJQANCHMSA-N 1 2 430.421 1.401 20 5 IDBDLO CCOc1nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ccc1[N+](=O)[O-] ZINC001164914140 721790043 /nfs/dbraw/zinc/79/00/43/721790043.db2.gz CDDWQQUJUNQITM-OAQYLSRUSA-N 1 2 429.477 1.891 20 5 IDBDLO CCOc1nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ccc1[N+](=O)[O-] ZINC001164914140 721790048 /nfs/dbraw/zinc/79/00/48/721790048.db2.gz CDDWQQUJUNQITM-OAQYLSRUSA-N 1 2 429.477 1.891 20 5 IDBDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(SC)nc(Cl)c1[N+](=O)[O-] ZINC001164700414 719842755 /nfs/dbraw/zinc/84/27/55/719842755.db2.gz KJCJYJFXRSOJCT-APPDUMDISA-N 1 2 445.929 1.993 20 5 IDBDLO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164702900 719861062 /nfs/dbraw/zinc/86/10/62/719861062.db2.gz OFZLIGKDPXZTOR-VBKZILBWSA-N 1 2 436.465 1.399 20 5 IDBDLO CCOC(=O)c1ccnc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1[N+](=O)[O-] ZINC001164708260 719876024 /nfs/dbraw/zinc/87/60/24/719876024.db2.gz ZCVXETSXWDJGSY-VBKZILBWSA-N 1 2 436.465 1.399 20 5 IDBDLO CCOC(=O)c1ccnc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1[N+](=O)[O-] ZINC001164708263 719876139 /nfs/dbraw/zinc/87/61/39/719876139.db2.gz ZCVXETSXWDJGSY-XOBRGWDASA-N 1 2 436.465 1.399 20 5 IDBDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(SC)nc(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164719994 720219045 /nfs/dbraw/zinc/21/90/45/720219045.db2.gz VAGNFHQZZVHYIW-KRWDZBQOSA-N 1 2 444.945 1.425 20 5 IDBDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(SC)nc(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164719994 720219050 /nfs/dbraw/zinc/21/90/50/720219050.db2.gz VAGNFHQZZVHYIW-KRWDZBQOSA-N 1 2 444.945 1.425 20 5 IDBDLO COc1nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC001164824545 720439003 /nfs/dbraw/zinc/43/90/03/720439003.db2.gz NUWWZQBJHYGHTL-OAHLLOKOSA-N 1 2 432.481 1.185 20 5 IDBDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)C2 ZINC001164832257 720460185 /nfs/dbraw/zinc/46/01/85/720460185.db2.gz RYMZAKLVMQCSTQ-HNNXBMFYSA-N 1 2 441.492 1.657 20 5 IDBDLO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912991 721771327 /nfs/dbraw/zinc/77/13/27/721771327.db2.gz SSVVIMAEXJCUDZ-OAQYLSRUSA-N 1 2 443.460 1.279 20 5 IDBDLO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912991 721771331 /nfs/dbraw/zinc/77/13/31/721771331.db2.gz SSVVIMAEXJCUDZ-OAQYLSRUSA-N 1 2 443.460 1.279 20 5 IDBDLO COC(=O)c1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c([N+](=O)[O-])c1 ZINC001164913042 721775922 /nfs/dbraw/zinc/77/59/22/721775922.db2.gz UHCWDNBWIJZTJD-NRFANRHFSA-N 1 2 443.460 1.279 20 5 IDBDLO COC(=O)c1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c([N+](=O)[O-])c1 ZINC001164913042 721775928 /nfs/dbraw/zinc/77/59/28/721775928.db2.gz UHCWDNBWIJZTJD-NRFANRHFSA-N 1 2 443.460 1.279 20 5 IDBDLO COC(=O)c1ccnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1[N+](=O)[O-] ZINC001164915203 721786070 /nfs/dbraw/zinc/78/60/70/721786070.db2.gz KHBQWPSZKSSOFG-OAQYLSRUSA-N 1 2 443.460 1.279 20 5 IDBDLO COC(=O)c1ccnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1[N+](=O)[O-] ZINC001164915203 721786073 /nfs/dbraw/zinc/78/60/73/721786073.db2.gz KHBQWPSZKSSOFG-OAQYLSRUSA-N 1 2 443.460 1.279 20 5 IDBDLO COc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164945728 721974017 /nfs/dbraw/zinc/97/40/17/721974017.db2.gz FMHZCUKUMNNAMB-UHFFFAOYSA-N 1 2 426.477 1.673 20 5 IDBDLO COc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164945728 721974019 /nfs/dbraw/zinc/97/40/19/721974019.db2.gz FMHZCUKUMNNAMB-UHFFFAOYSA-N 1 2 426.477 1.673 20 5 IDBDLO CCOC(=O)c1ccnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1[N+](=O)[O-] ZINC001164708258 719876018 /nfs/dbraw/zinc/87/60/18/719876018.db2.gz ZCVXETSXWDJGSY-JLTOFOAXSA-N 1 2 436.465 1.399 20 5 IDBDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc3cccc([N+](=O)[O-])c3n1)CC2 ZINC001164708919 719904869 /nfs/dbraw/zinc/90/48/69/719904869.db2.gz NIDVEQWOBHZLOX-UHFFFAOYSA-N 1 2 435.488 1.827 20 5 IDBDLO Cc1nc(Cl)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1[N+](=O)[O-] ZINC001164704218 719931044 /nfs/dbraw/zinc/93/10/44/719931044.db2.gz PYCWKMQGOZTTNU-UHFFFAOYSA-N 1 2 434.888 1.030 20 5 IDBDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C2)C1 ZINC001164720099 720235865 /nfs/dbraw/zinc/23/58/65/720235865.db2.gz RHLHZRGAORDFEU-KRWDZBQOSA-N 1 2 447.870 1.853 20 5 IDBDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C2)C1 ZINC001164720099 720235867 /nfs/dbraw/zinc/23/58/67/720235867.db2.gz RHLHZRGAORDFEU-KRWDZBQOSA-N 1 2 447.870 1.853 20 5 IDBDLO COc1ncnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c1[N+](=O)[O-] ZINC001164821139 720368925 /nfs/dbraw/zinc/36/89/25/720368925.db2.gz XBOCQVBIRCFYLS-UHFFFAOYSA-N 1 2 447.521 1.472 20 5 IDBDLO COc1ncnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c1[N+](=O)[O-] ZINC001164821139 720368932 /nfs/dbraw/zinc/36/89/32/720368932.db2.gz XBOCQVBIRCFYLS-UHFFFAOYSA-N 1 2 447.521 1.472 20 5 IDBDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)ncc1[N+](=O)[O-])C2 ZINC001164828565 720430028 /nfs/dbraw/zinc/43/00/28/720430028.db2.gz XLSPLAMAOUUWPI-ZDUSSCGKSA-N 1 2 437.888 1.224 20 5 IDBDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc(Cl)c1[N+](=O)[O-])C2 ZINC001164821995 720431466 /nfs/dbraw/zinc/43/14/66/720431466.db2.gz ACDRGDISGQMQQP-AWEZNQCLSA-N 1 2 436.900 1.829 20 5 IDBDLO CCOc1nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC001164831217 720463703 /nfs/dbraw/zinc/46/37/03/720463703.db2.gz NSUVZDYRAFQYLZ-INIZCTEOSA-N 1 2 446.508 1.575 20 5 IDBDLO O=[N+]([O-])c1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c([N+](=O)[O-])c1 ZINC001164912750 721775909 /nfs/dbraw/zinc/77/59/09/721775909.db2.gz PJPWAPZBIDMSQD-IBGZPJMESA-N 1 2 430.421 1.401 20 5 IDBDLO O=[N+]([O-])c1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c([N+](=O)[O-])c1 ZINC001164912750 721775912 /nfs/dbraw/zinc/77/59/12/721775912.db2.gz PJPWAPZBIDMSQD-IBGZPJMESA-N 1 2 430.421 1.401 20 5 IDBDLO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914511 721785024 /nfs/dbraw/zinc/78/50/24/721785024.db2.gz DRFWLSMQMDTQEA-IBGZPJMESA-N 1 2 435.868 1.384 20 5 IDBDLO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914511 721785027 /nfs/dbraw/zinc/78/50/27/721785027.db2.gz DRFWLSMQMDTQEA-IBGZPJMESA-N 1 2 435.868 1.384 20 5 IDBDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc(Cl)c1[N+](=O)[O-])C2 ZINC001164821997 720432456 /nfs/dbraw/zinc/43/24/56/720432456.db2.gz ACDRGDISGQMQQP-CQSZACIVSA-N 1 2 436.900 1.829 20 5 IDBDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)C2 ZINC001164832258 720461222 /nfs/dbraw/zinc/46/12/22/720461222.db2.gz RYMZAKLVMQCSTQ-OAHLLOKOSA-N 1 2 441.492 1.657 20 5 IDBDLO COC(=O)c1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c([N+](=O)[O-])c1 ZINC001164913043 721776194 /nfs/dbraw/zinc/77/61/94/721776194.db2.gz UHCWDNBWIJZTJD-OAQYLSRUSA-N 1 2 443.460 1.279 20 5 IDBDLO COC(=O)c1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c([N+](=O)[O-])c1 ZINC001164913043 721776199 /nfs/dbraw/zinc/77/61/99/721776199.db2.gz UHCWDNBWIJZTJD-OAQYLSRUSA-N 1 2 443.460 1.279 20 5 IDBDLO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914513 721784996 /nfs/dbraw/zinc/78/49/96/721784996.db2.gz DRFWLSMQMDTQEA-LJQANCHMSA-N 1 2 435.868 1.384 20 5 IDBDLO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914513 721784997 /nfs/dbraw/zinc/78/49/97/721784997.db2.gz DRFWLSMQMDTQEA-LJQANCHMSA-N 1 2 435.868 1.384 20 5 IDBDLO CCOc1nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ccc1[N+](=O)[O-] ZINC001164914138 721790509 /nfs/dbraw/zinc/79/05/09/721790509.db2.gz CDDWQQUJUNQITM-NRFANRHFSA-N 1 2 429.477 1.891 20 5 IDBDLO CCOc1nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ccc1[N+](=O)[O-] ZINC001164914138 721790514 /nfs/dbraw/zinc/79/05/14/721790514.db2.gz CDDWQQUJUNQITM-NRFANRHFSA-N 1 2 429.477 1.891 20 5 IDBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914404 721801393 /nfs/dbraw/zinc/80/13/93/721801393.db2.gz MZNSZCZOBMPHGV-OAQYLSRUSA-N 1 2 443.460 1.279 20 5 IDBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914404 721801394 /nfs/dbraw/zinc/80/13/94/721801394.db2.gz MZNSZCZOBMPHGV-OAQYLSRUSA-N 1 2 443.460 1.279 20 5 IDBDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C2)C1 ZINC001164717224 720227718 /nfs/dbraw/zinc/22/77/18/720227718.db2.gz GVLPSMWLHVYBBH-KRWDZBQOSA-N 1 2 447.870 1.853 20 5 IDBDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C2)C1 ZINC001164717224 720227732 /nfs/dbraw/zinc/22/77/32/720227732.db2.gz GVLPSMWLHVYBBH-KRWDZBQOSA-N 1 2 447.870 1.853 20 5 IDBDLO COc1nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)ncc1[N+](=O)[O-] ZINC001164824005 720358743 /nfs/dbraw/zinc/35/87/43/720358743.db2.gz GSCFTCYZPRJEHG-UHFFFAOYSA-N 1 2 447.521 1.472 20 5 IDBDLO COc1nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)ncc1[N+](=O)[O-] ZINC001164824005 720358749 /nfs/dbraw/zinc/35/87/49/720358749.db2.gz GSCFTCYZPRJEHG-UHFFFAOYSA-N 1 2 447.521 1.472 20 5 IDBDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc([N+](=O)[O-])cc1Cl)C2 ZINC001164828570 720430661 /nfs/dbraw/zinc/43/06/61/720430661.db2.gz XNLMMJQOEGNXKM-AWEZNQCLSA-N 1 2 436.900 1.829 20 5 IDBDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC001164824175 720431883 /nfs/dbraw/zinc/43/18/83/720431883.db2.gz JMAHFOZSKFFLQE-CQSZACIVSA-N 1 2 436.900 1.829 20 5 IDBDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001164700387 719847293 /nfs/dbraw/zinc/84/72/93/719847293.db2.gz JYKHTSVCJPAOMR-MGPLVRAMSA-N 1 2 434.280 1.924 20 5 IDBDLO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164702903 719860993 /nfs/dbraw/zinc/86/09/93/719860993.db2.gz OFZLIGKDPXZTOR-VLIAUNLRSA-N 1 2 436.465 1.399 20 5 IDBDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nccc3cc([N+](=O)[O-])ccc31)CC2 ZINC001164708079 719936503 /nfs/dbraw/zinc/93/65/03/719936503.db2.gz BKRMRRKNARNKKI-UHFFFAOYSA-N 1 2 435.488 1.827 20 5 IDBDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC001164716711 720214566 /nfs/dbraw/zinc/21/45/66/720214566.db2.gz DCZJPKXJSCCNDT-QGZVFWFLSA-N 1 2 447.870 1.853 20 5 IDBDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC001164716711 720214568 /nfs/dbraw/zinc/21/45/68/720214568.db2.gz DCZJPKXJSCCNDT-QGZVFWFLSA-N 1 2 447.870 1.853 20 5 IDBDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc(SC)c3[N+](=O)[O-])C2)C1 ZINC001164719725 720258729 /nfs/dbraw/zinc/25/87/29/720258729.db2.gz OFNZZNSFGKYHSY-KRWDZBQOSA-N 1 2 444.945 1.425 20 5 IDBDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc(SC)c3[N+](=O)[O-])C2)C1 ZINC001164719725 720258737 /nfs/dbraw/zinc/25/87/37/720258737.db2.gz OFNZZNSFGKYHSY-KRWDZBQOSA-N 1 2 444.945 1.425 20 5 IDBDLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(N)c([N+](=O)[O-])cn4)CC3)C2=O)cs1 ZINC001164821184 720373032 /nfs/dbraw/zinc/37/30/32/720373032.db2.gz ZWXALEMDPZGSOM-UHFFFAOYSA-N 1 2 431.522 1.650 20 5 IDBDLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(N)c([N+](=O)[O-])cn4)CC3)C2=O)cs1 ZINC001164821184 720373036 /nfs/dbraw/zinc/37/30/36/720373036.db2.gz ZWXALEMDPZGSOM-UHFFFAOYSA-N 1 2 431.522 1.650 20 5 IDBDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc([N+](=O)[O-])cc1Cl)C2 ZINC001164828571 720429876 /nfs/dbraw/zinc/42/98/76/720429876.db2.gz XNLMMJQOEGNXKM-CQSZACIVSA-N 1 2 436.900 1.829 20 5 IDBDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc([N+](=O)[O-])cc(Cl)n1)C2 ZINC001164823722 720430352 /nfs/dbraw/zinc/43/03/52/720430352.db2.gz JITBQYWEEBRVJW-CQSZACIVSA-N 1 2 436.900 1.829 20 5 IDBDLO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164943619 721969731 /nfs/dbraw/zinc/96/97/31/721969731.db2.gz AJBYHRPZBFVPIU-UHFFFAOYSA-N 1 2 439.472 1.747 20 5 IDBDLO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164943619 721969734 /nfs/dbraw/zinc/96/97/34/721969734.db2.gz AJBYHRPZBFVPIU-UHFFFAOYSA-N 1 2 439.472 1.747 20 5 IDBDLO COC(=O)c1ccnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC001164948165 721975098 /nfs/dbraw/zinc/97/50/98/721975098.db2.gz UTYSYBDKJRCONS-UHFFFAOYSA-N 1 2 439.472 1.747 20 5 IDBDLO COC(=O)c1ccnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC001164948165 721975100 /nfs/dbraw/zinc/97/51/00/721975100.db2.gz UTYSYBDKJRCONS-UHFFFAOYSA-N 1 2 439.472 1.747 20 5 IDBDLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])CC2)C1=O ZINC001164636479 719271176 /nfs/dbraw/zinc/27/11/76/719271176.db2.gz ULZUJKGERKCQFY-UHFFFAOYSA-N 1 2 433.296 1.451 20 5 IDBDLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])CC2)C1=O ZINC001164636479 719271182 /nfs/dbraw/zinc/27/11/82/719271182.db2.gz ULZUJKGERKCQFY-UHFFFAOYSA-N 1 2 433.296 1.451 20 5 IDBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001164700388 719847199 /nfs/dbraw/zinc/84/71/99/719847199.db2.gz JYKHTSVCJPAOMR-QFYYESIMSA-N 1 2 434.280 1.924 20 5 IDBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc(SC)c1[N+](=O)[O-] ZINC001164698845 719857204 /nfs/dbraw/zinc/85/72/04/719857204.db2.gz DXBARJPCVTZCHR-GTNSWQLSSA-N 1 2 445.929 1.993 20 5 IDBDLO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164702896 719861204 /nfs/dbraw/zinc/86/12/04/719861204.db2.gz OFZLIGKDPXZTOR-JLTOFOAXSA-N 1 2 436.465 1.399 20 5 IDBDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(SC)nc(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164719997 720219540 /nfs/dbraw/zinc/21/95/40/720219540.db2.gz VAGNFHQZZVHYIW-QGZVFWFLSA-N 1 2 444.945 1.425 20 5 IDBDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(SC)nc(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164719997 720219548 /nfs/dbraw/zinc/21/95/48/720219548.db2.gz VAGNFHQZZVHYIW-QGZVFWFLSA-N 1 2 444.945 1.425 20 5 IDBDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C2)C1 ZINC001164718890 720229715 /nfs/dbraw/zinc/22/97/15/720229715.db2.gz OFQRWRXTUGGYPU-KRWDZBQOSA-N 1 2 432.308 1.961 20 5 IDBDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C2)C1 ZINC001164718890 720229723 /nfs/dbraw/zinc/22/97/23/720229723.db2.gz OFQRWRXTUGGYPU-KRWDZBQOSA-N 1 2 432.308 1.961 20 5 IDBDLO COc1cnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC001164826261 720448661 /nfs/dbraw/zinc/44/86/61/720448661.db2.gz VIPSYGSTBOWZIW-HNNXBMFYSA-N 1 2 432.481 1.185 20 5 IDBDLO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912990 721770735 /nfs/dbraw/zinc/77/07/35/721770735.db2.gz SSVVIMAEXJCUDZ-NRFANRHFSA-N 1 2 443.460 1.279 20 5 IDBDLO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912990 721770743 /nfs/dbraw/zinc/77/07/43/721770743.db2.gz SSVVIMAEXJCUDZ-NRFANRHFSA-N 1 2 443.460 1.279 20 5 IDBDLO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164914893 721788713 /nfs/dbraw/zinc/78/87/13/721788713.db2.gz HDOFAGNRHUBMPR-LJQANCHMSA-N 1 2 435.868 1.384 20 5 IDBDLO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164914893 721788716 /nfs/dbraw/zinc/78/87/16/721788716.db2.gz HDOFAGNRHUBMPR-LJQANCHMSA-N 1 2 435.868 1.384 20 5 IDBDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001164700386 719847017 /nfs/dbraw/zinc/84/70/17/719847017.db2.gz JYKHTSVCJPAOMR-HWPZZCPQSA-N 1 2 434.280 1.924 20 5 IDBDLO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164702906 719861213 /nfs/dbraw/zinc/86/12/13/719861213.db2.gz OFZLIGKDPXZTOR-XOBRGWDASA-N 1 2 436.465 1.399 20 5 IDBDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc3cc([N+](=O)[O-])ccc31)CC2 ZINC001164709285 719905591 /nfs/dbraw/zinc/90/55/91/719905591.db2.gz SHTHIMSNFZIPFN-UHFFFAOYSA-N 1 2 436.476 1.222 20 5 IDBDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C2)C1 ZINC001164718891 720230383 /nfs/dbraw/zinc/23/03/83/720230383.db2.gz OFQRWRXTUGGYPU-QGZVFWFLSA-N 1 2 432.308 1.961 20 5 IDBDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C2)C1 ZINC001164718891 720230393 /nfs/dbraw/zinc/23/03/93/720230393.db2.gz OFQRWRXTUGGYPU-QGZVFWFLSA-N 1 2 432.308 1.961 20 5 IDBDLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc([N+](=O)[O-])c(N)n4)CC3)C2=O)cs1 ZINC001164819712 720373352 /nfs/dbraw/zinc/37/33/52/720373352.db2.gz GWVZMVFRYAKFKH-UHFFFAOYSA-N 1 2 431.522 1.650 20 5 IDBDLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc([N+](=O)[O-])c(N)n4)CC3)C2=O)cs1 ZINC001164819712 720373360 /nfs/dbraw/zinc/37/33/60/720373360.db2.gz GWVZMVFRYAKFKH-UHFFFAOYSA-N 1 2 431.522 1.650 20 5 IDBDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC001164824174 720432472 /nfs/dbraw/zinc/43/24/72/720432472.db2.gz JMAHFOZSKFFLQE-AWEZNQCLSA-N 1 2 436.900 1.829 20 5 IDBDLO COc1nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC001164824544 720439414 /nfs/dbraw/zinc/43/94/14/720439414.db2.gz NUWWZQBJHYGHTL-HNNXBMFYSA-N 1 2 432.481 1.185 20 5 IDBDLO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164701707 719938343 /nfs/dbraw/zinc/93/83/43/719938343.db2.gz ATERSBGLKMMEBP-UHFFFAOYSA-N 1 2 434.888 1.030 20 5 IDBDLO Cc1c(C)c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC001164831238 720457394 /nfs/dbraw/zinc/45/73/94/720457394.db2.gz NWMHQMGOZQFNDQ-KRWDZBQOSA-N 1 2 430.509 1.793 20 5 IDBDLO Cc1nc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1[N+](=O)[O-] ZINC001164911616 721768608 /nfs/dbraw/zinc/76/86/08/721768608.db2.gz HUPXAFAXEGXWGS-IBGZPJMESA-N 1 2 434.884 1.849 20 5 IDBDLO Cc1nc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1[N+](=O)[O-] ZINC001164911616 721768612 /nfs/dbraw/zinc/76/86/12/721768612.db2.gz HUPXAFAXEGXWGS-IBGZPJMESA-N 1 2 434.884 1.849 20 5 IDBDLO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164910294 721773489 /nfs/dbraw/zinc/77/34/89/721773489.db2.gz BDDRNBQUEMMYDI-LJQANCHMSA-N 1 2 434.884 1.849 20 5 IDBDLO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164910294 721773494 /nfs/dbraw/zinc/77/34/94/721773494.db2.gz BDDRNBQUEMMYDI-LJQANCHMSA-N 1 2 434.884 1.849 20 5 IDBDLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])CC2 ZINC001164946951 721974343 /nfs/dbraw/zinc/97/43/43/721974343.db2.gz MKPZGHMKTYAQIK-UHFFFAOYSA-N 1 2 431.880 1.853 20 5 IDBDLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])CC2 ZINC001164946951 721974344 /nfs/dbraw/zinc/97/43/44/721974344.db2.gz MKPZGHMKTYAQIK-UHFFFAOYSA-N 1 2 431.880 1.853 20 5 IDBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164946454 721981884 /nfs/dbraw/zinc/98/18/84/721981884.db2.gz GCTBIXVLZDPWAP-UHFFFAOYSA-N 1 2 439.472 1.747 20 5 IDBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164946454 721981885 /nfs/dbraw/zinc/98/18/85/721981885.db2.gz GCTBIXVLZDPWAP-UHFFFAOYSA-N 1 2 439.472 1.747 20 5 IDBDLO