smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1nc(C)c(C)s1 ZINC000952979150 1032679709 /nfs/dbraw/zinc/67/97/09/1032679709.db2.gz RFWYKPQTZSOPOD-INIZCTEOSA-N 2 0 303.475 3.502 50 0 DHAARP Cc1cccc(N2CC[NH+](CCCC[NH2+]CC(C)(C)C)CC2)c1 ZINC000237680328 1031202138 /nfs/dbraw/zinc/20/21/38/1031202138.db2.gz SOQKCRISTPKBFK-UHFFFAOYSA-N 2 0 317.521 3.533 50 0 DHAARP CC[C@H]([NH2+]C1CCC2(CC[NH2+]CC2)CC1)c1cc(C)ccn1 ZINC000067784712 190721469 /nfs/dbraw/zinc/72/14/69/190721469.db2.gz SZDQTFRIJDSRIM-KRWDZBQOSA-N 2 0 301.478 3.743 50 0 DHAARP c1ccc(CCC[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)cc1 ZINC000039445530 183018008 /nfs/dbraw/zinc/01/80/08/183018008.db2.gz QLGKMRJREGAVDK-OAQYLSRUSA-N 2 0 312.501 3.817 50 0 DHAARP c1cc(C[NH+]2CCCCCC2)cc(OCC[C@H]2CCCC[NH2+]2)c1 ZINC000299785049 229439927 /nfs/dbraw/zinc/43/99/27/229439927.db2.gz IQPFMSYMLOMKQP-LJQANCHMSA-N 2 0 316.489 3.974 50 0 DHAARP C[C@H](CCc1ccccc1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000002498200 563304605 /nfs/dbraw/zinc/30/46/05/563304605.db2.gz ALJKXKLPQKTGCY-GOSISDBHSA-N 2 0 300.490 3.958 50 0 DHAARP Cc1ccc(COc2cccc(C[NH2+]CC3CC[NH2+]CC3)c2)cc1 ZINC000010434749 563356936 /nfs/dbraw/zinc/35/69/36/563356936.db2.gz DFTSUNGHTPJWBB-UHFFFAOYSA-N 2 0 324.468 3.663 50 0 DHAARP CCC[NH+]1CCC([NH2+]CCc2ccc(Cl)cc2Cl)CC1 ZINC000000280361 563629326 /nfs/dbraw/zinc/62/93/26/563629326.db2.gz APSBOGZHVVPGKJ-UHFFFAOYSA-N 2 0 315.288 4.000 50 0 DHAARP C[C@@H](c1cccc(C[N@H+](Cc2ccccn2)C2CC2)c1)[NH+](C)C ZINC000215619309 563706151 /nfs/dbraw/zinc/70/61/51/563706151.db2.gz IHJZNJZQNVXHHK-INIZCTEOSA-N 2 0 309.457 3.869 50 0 DHAARP C[C@H](C[NH3+])Oc1ccc(C[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000299789870 563806240 /nfs/dbraw/zinc/80/62/40/563806240.db2.gz ADUJFNPQFPHCJG-QGZVFWFLSA-N 2 0 324.468 3.792 50 0 DHAARP Cc1ncsc1C[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000086279342 563844812 /nfs/dbraw/zinc/84/48/12/563844812.db2.gz AJRCGFDIHPXMEF-LBPRGKRZSA-N 2 0 312.442 3.796 50 0 DHAARP Clc1cccc(C[NH2+]CCCNc2cc[nH+]cc2)c1Cl ZINC000075108036 563859913 /nfs/dbraw/zinc/85/99/13/563859913.db2.gz VSMRDJBXGJBOPL-UHFFFAOYSA-N 2 0 310.228 3.980 50 0 DHAARP CC1(C)C[C@H]([NH2+]CCc2cn3ccccc3n2)c2ccccc2O1 ZINC000095967252 563932979 /nfs/dbraw/zinc/93/29/79/563932979.db2.gz YCKCDDPJTSJMMB-KRWDZBQOSA-N 2 0 321.424 3.769 50 0 DHAARP CCC[N@H+](Cc1ccn(Cc2ccccc2)c1)C1CC[NH2+]CC1 ZINC000097095615 568413540 /nfs/dbraw/zinc/41/35/40/568413540.db2.gz QJFKJURRIVVFFG-UHFFFAOYSA-N 2 0 311.473 3.500 50 0 DHAARP c1cc(C[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000222241381 1037859300 /nfs/dbraw/zinc/85/93/00/1037859300.db2.gz JOLRAJSQTZKBJR-FHWLQOOXSA-N 2 0 312.482 3.748 50 0 DHAARP C[N@@H+](Cc1cccc(-c2cccnc2)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253589 193181500 /nfs/dbraw/zinc/18/15/00/193181500.db2.gz BNEJJYMXHZJXPJ-GOSISDBHSA-N 2 0 309.457 3.522 50 0 DHAARP COc1ccccc1C[N@H+](CC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000055244330 563472793 /nfs/dbraw/zinc/47/27/93/563472793.db2.gz LOLHNJCZMOQQIH-UHFFFAOYSA-N 2 0 316.489 3.780 50 0 DHAARP FC(F)(F)CCN1CCc2nc[nH]c2[C@@H]1Cc1ccccc1 ZINC000067785093 563490433 /nfs/dbraw/zinc/49/04/33/563490433.db2.gz NETQSACHJVKCJB-AWEZNQCLSA-N 2 0 309.335 3.504 50 0 DHAARP c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000085210643 563520337 /nfs/dbraw/zinc/52/03/37/563520337.db2.gz WPXWNSDBRUCWKS-UHFFFAOYSA-N 2 0 306.453 3.785 50 0 DHAARP FC(F)Oc1ccccc1C[N@@H+]1CCCC2(CC[NH2+]CC2)CC1 ZINC000097259289 563538761 /nfs/dbraw/zinc/53/87/61/563538761.db2.gz PFCCZZCBJFTWGT-UHFFFAOYSA-N 2 0 324.415 3.644 50 0 DHAARP Cc1ccc2c(c1)c1c(n2CCc2ccc(C)nc2)CCN(C)C1 ZINC000008144259 563889529 /nfs/dbraw/zinc/88/95/29/563889529.db2.gz JNODQFNWMXFMEV-UHFFFAOYSA-N 2 0 319.452 3.884 50 0 investigational DHAARP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000069381996 563952671 /nfs/dbraw/zinc/95/26/71/563952671.db2.gz CALJSIWKZMXBSZ-GXTWGEPZSA-N 2 0 306.416 3.960 50 0 DHAARP CC[N@@H+](Cc1ccc(-c2ccccn2)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000952973919 1032674723 /nfs/dbraw/zinc/67/47/23/1032674723.db2.gz YWRLRDQAKOIOQR-GOSISDBHSA-N 2 0 309.457 3.522 50 0 DHAARP CCCc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3C)CC2)o1 ZINC000952969634 1032676554 /nfs/dbraw/zinc/67/65/54/1032676554.db2.gz OLUHMUJARGFMBI-UHFFFAOYSA-N 2 0 313.445 3.648 50 0 DHAARP CC(C)C[N@H+](C)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000012314113 1020054420 /nfs/dbraw/zinc/05/44/20/1020054420.db2.gz SRJAZASKSMMDBZ-GOSISDBHSA-N 2 0 306.469 3.668 50 0 DHAARP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ncc(-c2ccccc2)o1 ZINC000888099153 1024702975 /nfs/dbraw/zinc/70/29/75/1024702975.db2.gz WQKOCXYMXWQYMK-HNNXBMFYSA-N 2 0 313.445 3.724 50 0 DHAARP Clc1oc2ccccc2c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262048340 1037231216 /nfs/dbraw/zinc/23/12/16/1037231216.db2.gz PYVLYFZPEWBVNU-UHFFFAOYSA-N 2 0 304.821 3.662 50 0 DHAARP Cc1ccccc1C[NH2+]CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000095462168 185370859 /nfs/dbraw/zinc/37/08/59/185370859.db2.gz XNGBZRPBIHDRMK-UHFFFAOYSA-N 2 0 309.457 3.786 50 0 DHAARP C[C@@H](C1CC[NH+](Cc2ccc(O)c(Cl)c2)CC1)[NH+]1CCCC1 ZINC000072430178 191162715 /nfs/dbraw/zinc/16/27/15/191162715.db2.gz BGSXEPYXWLHMJS-AWEZNQCLSA-N 2 0 322.880 3.742 50 0 DHAARP CC(C)c1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc1 ZINC000002489880 180926926 /nfs/dbraw/zinc/92/69/26/180926926.db2.gz VELUYNODIVSIMU-UHFFFAOYSA-N 2 0 319.537 3.515 50 0 DHAARP C[N@@H+](Cc1cccc(-c2cccnc2)c1)C[C@H]1CCC[NH+](C)C1 ZINC000092253588 193181428 /nfs/dbraw/zinc/18/14/28/193181428.db2.gz BNEJJYMXHZJXPJ-SFHVURJKSA-N 2 0 309.457 3.522 50 0 DHAARP CC(C)c1nccn1CCC[NH2+]CC[C@@H](C)CCCC(C)(C)O ZINC000032508990 563442792 /nfs/dbraw/zinc/44/27/92/563442792.db2.gz ZAQKVFKBJUGSBP-KRWDZBQOSA-N 2 0 323.525 3.954 50 0 DHAARP C[N@@H+](Cc1cnc2ccccc2c1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000055168336 563471966 /nfs/dbraw/zinc/47/19/66/563471966.db2.gz MMFPIYZHFWKFHS-PZJWPPBQSA-N 2 0 323.484 3.931 50 0 DHAARP Cc1c[nH+]c(C2CC2)n1[C@H]1CCC[N@H+](Cc2ccc(C)cn2)C1 ZINC000575545582 1020973557 /nfs/dbraw/zinc/97/35/57/1020973557.db2.gz IGLHJTUPSOIQMC-SFHVURJKSA-N 2 0 310.445 3.609 50 0 DHAARP C[NH+](C)Cc1ccc(CC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000581810113 1021850005 /nfs/dbraw/zinc/85/00/05/1021850005.db2.gz YHHRPHRJHNCQCE-UHFFFAOYSA-N 2 0 323.484 3.598 50 0 DHAARP c1cc(C[NH+]2CCCCCC2)cc(OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000299785043 1023303723 /nfs/dbraw/zinc/30/37/23/1023303723.db2.gz IQPFMSYMLOMKQP-IBGZPJMESA-N 2 0 316.489 3.974 50 0 DHAARP c1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000222241328 1037859006 /nfs/dbraw/zinc/85/90/06/1037859006.db2.gz JOLRAJSQTZKBJR-GBESFXJTSA-N 2 0 312.482 3.748 50 0 DHAARP CC(C)CC[NH+]1CCC([C@H]2CC[N@H+](Cc3cccnc3)C2)CC1 ZINC000169748993 1040859659 /nfs/dbraw/zinc/85/96/59/1040859659.db2.gz WQLBRRJGOJLXDE-FQEVSTJZSA-N 2 0 315.505 3.662 50 0 DHAARP c1ccc(CCC[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CC2)C3)cc1 ZINC000039445531 183018591 /nfs/dbraw/zinc/01/85/91/183018591.db2.gz QLGKMRJREGAVDK-NRFANRHFSA-N 2 0 312.501 3.817 50 0 DHAARP CCc1ccc(CN2CCC([N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000001165967 563278447 /nfs/dbraw/zinc/27/84/47/563278447.db2.gz MPYLBXSXBZIWMR-QGZVFWFLSA-N 2 0 300.490 3.945 50 0 DHAARP C[C@@H](CCc1ccccc1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000002498199 563304586 /nfs/dbraw/zinc/30/45/86/563304586.db2.gz ALJKXKLPQKTGCY-SFHVURJKSA-N 2 0 300.490 3.958 50 0 DHAARP CCC[NH+]1CCC([N@@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)CC1 ZINC000012589538 563371264 /nfs/dbraw/zinc/37/12/64/563371264.db2.gz XXJJSQCLYAONFQ-SFHVURJKSA-N 2 0 319.468 3.576 50 0 DHAARP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCS2 ZINC000252513343 563916628 /nfs/dbraw/zinc/91/66/28/563916628.db2.gz YNYXFUJWEBREGC-YQQAZPJKSA-N 2 0 302.487 3.748 50 0 DHAARP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCCCC[C@H]3CO)CC2)C1 ZINC000253370592 563924985 /nfs/dbraw/zinc/92/49/85/563924985.db2.gz SVLKZJVEULNRGK-UMGGQSCQSA-N 2 0 322.537 3.560 50 0 DHAARP CC[C@H]1C=CC[N@@H+]1Cc1cccc(OCCCn2ccnc2)c1 ZINC000952962560 1032671327 /nfs/dbraw/zinc/67/13/27/1032671327.db2.gz GFTPNIXEIYDFSZ-SFHVURJKSA-N 2 0 311.429 3.503 50 0 DHAARP c1[nH]c2ccccc2c1CC[NH2+]C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000142539427 1019323026 /nfs/dbraw/zinc/32/30/26/1019323026.db2.gz ITWYTOJFZGPNNN-FXAWDEMLSA-N 2 0 311.473 3.565 50 0 DHAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)C3CCSCC3)CC2)o1 ZINC000012303258 1020449231 /nfs/dbraw/zinc/44/92/31/1020449231.db2.gz JOUFFXSJPMVEBZ-UHFFFAOYSA-N 2 0 322.518 3.627 50 0 DHAARP Cc1cnc(C2CC2)n1C[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC000581813815 1021856216 /nfs/dbraw/zinc/85/62/16/1021856216.db2.gz IEASLBHXBIOERB-MRXNPFEDSA-N 2 0 313.420 3.730 50 0 DHAARP C[NH+]1CCC(C[N@H+](CCc2ccccc2)C2CCCC2)CC1 ZINC000039466140 183019734 /nfs/dbraw/zinc/01/97/34/183019734.db2.gz AINUCVHKJWBLJP-UHFFFAOYSA-N 2 0 300.490 3.816 50 0 DHAARP C[C@@H]([NH2+]C1CCC(C[NH+](C)C)CC1)c1cc(F)c(F)c(F)c1 ZINC000090707459 563874080 /nfs/dbraw/zinc/87/40/80/563874080.db2.gz FNAJUVXNDJVBHJ-LKSINWNRSA-N 2 0 314.395 3.875 50 0 DHAARP c1ccc(CCN2CC[C@H]([NH2+]CC3(c4ccccc4)CC3)C2)cc1 ZINC000078998903 563930036 /nfs/dbraw/zinc/93/00/36/563930036.db2.gz BQLJQGFSQWFRLY-NRFANRHFSA-N 2 0 320.480 3.625 50 0 DHAARP C/C=C(\C)C[N@H+](C)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000011838358 1019293404 /nfs/dbraw/zinc/29/34/04/1019293404.db2.gz QTBFUVMIIAIRDQ-HAVNEIBRSA-N 2 0 318.480 3.978 50 0 DHAARP C[NH+](C)Cc1ccc(CC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000581810102 1021851276 /nfs/dbraw/zinc/85/12/76/1021851276.db2.gz VSJIWTBXJMCVHR-UHFFFAOYSA-N 2 0 323.484 3.598 50 0 DHAARP CC(C)[NH+]1CCC2(CC1)C[N@@H+](C1CCC1)Cc1ccccc1O2 ZINC000257187459 1022239459 /nfs/dbraw/zinc/23/94/59/1022239459.db2.gz LSKXGHKMOCTTGE-UHFFFAOYSA-N 2 0 314.473 3.677 50 0 DHAARP C[N@H+](Cc1ccccc1C[NH+]1CCCC1)C1CCSCC1 ZINC000065526013 184359883 /nfs/dbraw/zinc/35/98/83/184359883.db2.gz NEXBPOIJQCJQLF-UHFFFAOYSA-N 2 0 304.503 3.610 50 0 DHAARP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000069382009 184511029 /nfs/dbraw/zinc/51/10/29/184511029.db2.gz CALJSIWKZMXBSZ-OCCSQVGLSA-N 2 0 306.416 3.960 50 0 DHAARP CCCc1nc(C)c(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)s1 ZINC000067856634 563492630 /nfs/dbraw/zinc/49/26/30/563492630.db2.gz SZECOUJPGJJJAY-UHFFFAOYSA-N 2 0 309.523 3.803 50 0 DHAARP CCc1ccc(CN2CCC([N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000001165969 563278577 /nfs/dbraw/zinc/27/85/77/563278577.db2.gz MPYLBXSXBZIWMR-KRWDZBQOSA-N 2 0 300.490 3.945 50 0 DHAARP FC(F)(F)CCN1CCc2nc[nH]c2[C@H]1Cc1ccccc1 ZINC000067785091 563490452 /nfs/dbraw/zinc/49/04/52/563490452.db2.gz NETQSACHJVKCJB-CQSZACIVSA-N 2 0 309.335 3.504 50 0 DHAARP c1cc(C2CC[NH+](C3CCC4(CC[NH2+]CC4)CC3)CC2)ccn1 ZINC000067920586 563493603 /nfs/dbraw/zinc/49/36/03/563493603.db2.gz SDXJGYXOKBDQBP-UHFFFAOYSA-N 2 0 313.489 3.573 50 0 DHAARP C[N@H+](Cc1ccc(C[NH+]2CCCC2)s1)C1CCSCC1 ZINC000097716911 563541996 /nfs/dbraw/zinc/54/19/96/563541996.db2.gz FIYWUQADSJUDNJ-UHFFFAOYSA-N 2 0 310.532 3.671 50 0 DHAARP Cc1nc(CN[C@H](C)c2ccc(-n3ccnc3C)cc2)cs1 ZINC000084290996 563825726 /nfs/dbraw/zinc/82/57/26/563825726.db2.gz NARBDNNZSXHPIJ-GFCCVEGCSA-N 2 0 312.442 3.796 50 0 DHAARP Cc1ccc(-c2cccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c2)o1 ZINC000825197815 1020631847 /nfs/dbraw/zinc/63/18/47/1020631847.db2.gz IGJGDNMFYDAYRD-FQEVSTJZSA-N 2 0 310.441 3.831 50 0 DHAARP C[N@H+](Cc1cc(C[NH+]2CCCC2)cs1)[C@H]1CCOC(C)(C)C1 ZINC000215805953 1024524438 /nfs/dbraw/zinc/52/44/38/1024524438.db2.gz QEJALCPRPWVVPP-INIZCTEOSA-N 2 0 322.518 3.733 50 0 DHAARP FC(F)Oc1cccc(C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000067805441 190723937 /nfs/dbraw/zinc/72/39/37/190723937.db2.gz XHPXFQCXOZDLSB-UHFFFAOYSA-N 2 0 324.415 3.690 50 0 DHAARP CCn1c2ccccc2c2cc(C[NH2+]CC3CC[NH2+]CC3)ccc21 ZINC000010315379 563356328 /nfs/dbraw/zinc/35/63/28/563356328.db2.gz IKRAVVJKNBRKMB-UHFFFAOYSA-N 2 0 321.468 3.904 50 0 DHAARP Cc1ccc(COc2ccccc2C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000010434744 563356615 /nfs/dbraw/zinc/35/66/15/563356615.db2.gz WUHYHAKZHZWHCH-UHFFFAOYSA-N 2 0 324.468 3.663 50 0 DHAARP Fc1cccc(Cl)c1C[N@@H+]1CCCC2(CC[NH2+]CC2)CC1 ZINC000097551461 563540005 /nfs/dbraw/zinc/54/00/05/563540005.db2.gz ZBQAYPLKBHMHQR-UHFFFAOYSA-N 2 0 310.844 3.835 50 0 DHAARP CS[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000108357973 563688230 /nfs/dbraw/zinc/68/82/30/563688230.db2.gz MFRRLFHEZHWJCH-DZJNRPSUSA-N 2 0 310.551 3.903 50 0 DHAARP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c(C)s1 ZINC000095422682 563931302 /nfs/dbraw/zinc/93/13/02/563931302.db2.gz LWMKZZBJJMNJKS-HOCLYGCPSA-N 2 0 322.518 3.516 50 0 DHAARP Fc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000095967287 563932925 /nfs/dbraw/zinc/93/29/25/563932925.db2.gz JDQRCGLVYKNNRN-ZOCIIQOWSA-N 2 0 302.437 3.536 50 0 DHAARP c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000096476610 563937281 /nfs/dbraw/zinc/93/72/81/563937281.db2.gz YWNSPUQHHJOWJP-CRAIPNDOSA-N 2 0 312.457 3.507 50 0 DHAARP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCCCC[C@@H]3CO)CC2)C1 ZINC000090390746 185293992 /nfs/dbraw/zinc/29/39/92/185293992.db2.gz SVLKZJVEULNRGK-IZBJGVDFSA-N 2 0 322.537 3.560 50 0 DHAARP Cc1cc(N2CCC[N@H+](Cc3ccc4[nH]ccc4c3)CC2)cc[nH+]1 ZINC000072149967 191055724 /nfs/dbraw/zinc/05/57/24/191055724.db2.gz YXGMVZRXESSKMR-UHFFFAOYSA-N 2 0 320.440 3.584 50 0 DHAARP CC(C)=CCC/C(C)=C/CC(C)(C)C[NH2+]CCN1CC[NH2+]CC1 ZINC000019371875 182119769 /nfs/dbraw/zinc/11/97/69/182119769.db2.gz OEKRIUJYFWCYQE-DJKKODMXSA-N 2 0 321.553 3.590 50 0 DHAARP CC(C)=CC[N@@H+](C)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000012298173 563365410 /nfs/dbraw/zinc/36/54/10/563365410.db2.gz KCWIMVLJIFIBGT-UHFFFAOYSA-N 2 0 318.480 3.978 50 0 DHAARP Cc1ncsc1C[NH2+]C[C@H]1CCCn2cc(C(C)(C)C)nc21 ZINC000084066526 563821141 /nfs/dbraw/zinc/82/11/41/563821141.db2.gz LBQUWODDPPEOQB-CYBMUJFWSA-N 2 0 318.490 3.613 50 0 DHAARP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCS2 ZINC000252513342 563916651 /nfs/dbraw/zinc/91/66/51/563916651.db2.gz YNYXFUJWEBREGC-HLLBOEOZSA-N 2 0 302.487 3.748 50 0 DHAARP CCCC[N@H+](C)CC1CCN([C@H](C)c2nc(C(C)C)no2)CC1 ZINC000066960606 563948232 /nfs/dbraw/zinc/94/82/32/563948232.db2.gz BZPJZABACCAUGE-OAHLLOKOSA-N 2 0 322.497 3.698 50 0 DHAARP Cc1ccc(-c2cccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)c2)o1 ZINC000825197816 1020631491 /nfs/dbraw/zinc/63/14/91/1020631491.db2.gz IGJGDNMFYDAYRD-HXUWFJFHSA-N 2 0 310.441 3.831 50 0 DHAARP COc1ccccc1[C@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000095422495 262545647 /nfs/dbraw/zinc/54/56/47/262545647.db2.gz SCDNEGNOBNEELL-AWEZNQCLSA-N 2 0 316.420 3.747 50 0 DHAARP Cc1csc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000107359449 563683725 /nfs/dbraw/zinc/68/37/25/563683725.db2.gz YJRWCBAWJJASPI-RDJZCZTQSA-N 2 0 315.486 3.594 50 0 DHAARP C[C@H](c1cccc(C[N@H+](Cc2ccccn2)C2CC2)c1)[NH+](C)C ZINC000215619357 563706526 /nfs/dbraw/zinc/70/65/26/563706526.db2.gz IHJZNJZQNVXHHK-MRXNPFEDSA-N 2 0 309.457 3.869 50 0 DHAARP CC[N@@H+](Cc1cc(C[NH+]2CCCCC2)cs1)C[C@H]1CCCO1 ZINC000230563672 563773540 /nfs/dbraw/zinc/77/35/40/563773540.db2.gz FDCKORKLUALIKT-QGZVFWFLSA-N 2 0 322.518 3.735 50 0 DHAARP Cc1ccc(C[NH+]2CCC(Cn3c(C)c[nH+]c3C)CC2)s1 ZINC000575549620 1020975621 /nfs/dbraw/zinc/97/56/21/1020975621.db2.gz LSCZKEBGJHUBQX-UHFFFAOYSA-N 2 0 303.475 3.782 50 0 DHAARP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)s1)C[C@H]1CCCCO1 ZINC000214959110 1024519495 /nfs/dbraw/zinc/51/94/95/1024519495.db2.gz MYHSYYYNEPCYMD-MRXNPFEDSA-N 2 0 322.518 3.735 50 0 DHAARP CC[NH+]1CCC([NH2+]C[C@H](C)Oc2ccc(C(C)C)cc2)CC1 ZINC000585082861 1029628425 /nfs/dbraw/zinc/62/84/25/1029628425.db2.gz AATZNWOPAIGRHR-INIZCTEOSA-N 2 0 304.478 3.651 50 0 DHAARP COc1ccc(-c2cc(NCC[NH+](C)C)c3ccccc3[nH+]2)cc1 ZINC000004542556 181122408 /nfs/dbraw/zinc/12/24/08/181122408.db2.gz DPIXUMPQZPSUKL-UHFFFAOYSA-N 2 0 321.424 3.884 50 0 DHAARP Cc1cccc(CN2CCC([N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC000002734818 563340626 /nfs/dbraw/zinc/34/06/26/563340626.db2.gz IKWJPDFXHXSQPP-HDICACEKSA-N 2 0 300.490 3.937 50 0 DHAARP Cc1ccc(COc2ccc(C[NH2+]CC3CC[NH2+]CC3)cc2)cc1 ZINC000010434585 563356994 /nfs/dbraw/zinc/35/69/94/563356994.db2.gz WBNXAOHQUDYELA-UHFFFAOYSA-N 2 0 324.468 3.663 50 0 DHAARP Cc1[nH]c2c(cccc2C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000215102361 563704089 /nfs/dbraw/zinc/70/40/89/563704089.db2.gz WWHZJJGLZYKVJQ-UHFFFAOYSA-N 2 0 320.440 3.502 50 0 DHAARP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCCCC[C@@H]3CO)CC2)C1 ZINC000253370590 563925004 /nfs/dbraw/zinc/92/50/04/563925004.db2.gz SVLKZJVEULNRGK-JYBIWHBTSA-N 2 0 322.537 3.560 50 0 DHAARP CN(Cc1ccoc1)Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000823719816 1020443982 /nfs/dbraw/zinc/44/39/82/1020443982.db2.gz IISKQCLXWBNABW-UHFFFAOYSA-N 2 0 304.459 3.959 50 0 DHAARP C[C@H](c1cccc(CN(C)CC[NH+]2CCCCCC2)c1)[NH+](C)C ZINC000823709389 1020444480 /nfs/dbraw/zinc/44/44/80/1020444480.db2.gz SDHVHEFXCXFGPM-GOSISDBHSA-N 2 0 317.521 3.617 50 0 DHAARP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cnc(-c2ccccc2)o1 ZINC000888098179 1024700287 /nfs/dbraw/zinc/70/02/87/1024700287.db2.gz CHFBLCQLSCVDLR-OAHLLOKOSA-N 2 0 313.445 3.724 50 0 DHAARP C[C@H](CCc1ccc(O)cc1)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000032507758 1024882248 /nfs/dbraw/zinc/88/22/48/1024882248.db2.gz ZQFJDABVFMZXCU-CQSZACIVSA-N 2 0 304.478 3.612 50 0 DHAARP CC(C)[N@@H+]1CCC[C@H](CN(C)Cc2ccc(O)cc2Cl)C1 ZINC000072168364 191066140 /nfs/dbraw/zinc/06/61/40/191066140.db2.gz SPVSMMAJDOUOCA-CQSZACIVSA-N 2 0 310.869 3.598 50 0 DHAARP CC(C)[N@@H+]1CCC[C@@H](CN(C)Cc2ccc(O)cc2Cl)C1 ZINC000072168365 191067173 /nfs/dbraw/zinc/06/71/73/191067173.db2.gz SPVSMMAJDOUOCA-AWEZNQCLSA-N 2 0 310.869 3.598 50 0 DHAARP C[N@H+](CCC1CCOCC1)Cc1ccc(C[NH+]2CCCC2)s1 ZINC000097742756 563541920 /nfs/dbraw/zinc/54/19/20/563541920.db2.gz KVHNRUMKDZCVNJ-UHFFFAOYSA-N 2 0 322.518 3.592 50 0 DHAARP C[NH2+]CCC[NH2+]Cc1cn(Cc2ccccc2C)c2ccccc12 ZINC000248174261 563782619 /nfs/dbraw/zinc/78/26/19/563782619.db2.gz YIOYJAROIMWECT-UHFFFAOYSA-N 2 0 321.468 3.697 50 0 DHAARP C[N@H+](Cc1ccc(OCC[NH3+])cc1)Cc1cccc2ccccc21 ZINC000299779062 563805739 /nfs/dbraw/zinc/80/57/39/563805739.db2.gz QJGXOLGAEQXKQS-UHFFFAOYSA-N 2 0 320.436 3.809 50 0 DHAARP Fc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000241121742 563880373 /nfs/dbraw/zinc/88/03/73/563880373.db2.gz JDQRCGLVYKNNRN-MDASCCDHSA-N 2 0 302.437 3.536 50 0 DHAARP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c(C)s1 ZINC000095422683 563931336 /nfs/dbraw/zinc/93/13/36/563931336.db2.gz LWMKZZBJJMNJKS-GDBMZVCRSA-N 2 0 322.518 3.516 50 0 DHAARP C[N@H+](CCC1CC[NH+](C)CC1)Cc1ccccc1C(F)(F)F ZINC000020661416 182242135 /nfs/dbraw/zinc/24/21/35/182242135.db2.gz WFNIXIHZHNUHLT-UHFFFAOYSA-N 2 0 314.395 3.869 50 0 DHAARP C1CC[NH+](C2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)CC1 ZINC000001225366 563279897 /nfs/dbraw/zinc/27/98/97/563279897.db2.gz ZCVLAQREBUBJNZ-UHFFFAOYSA-N 2 0 302.506 3.761 50 0 DHAARP C[N@H+](CC1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCC1 ZINC000012716567 563373457 /nfs/dbraw/zinc/37/34/57/563373457.db2.gz AALORYSEVYPOEX-UHFFFAOYSA-N 2 0 304.453 3.565 50 0 DHAARP Cc1oc(-c2ccccc2C)nc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000067654482 563488535 /nfs/dbraw/zinc/48/85/35/563488535.db2.gz OXBFYQSJTCHJGS-INIZCTEOSA-N 2 0 313.445 3.519 50 0 DHAARP Cc1cc(C[NH2+]CC(C)(C)C[NH+](C)C)cc(C)c1OC(F)F ZINC000098078520 563523319 /nfs/dbraw/zinc/52/33/19/563523319.db2.gz JNGHTLVJYMHBCD-UHFFFAOYSA-N 2 0 314.420 3.582 50 0 DHAARP COc1c(F)cccc1C[NH+]1CCC([C@@H](C)[NH+]2CCCC2)CC1 ZINC000216239915 563708486 /nfs/dbraw/zinc/70/84/86/563708486.db2.gz MIGILEVIMVSYRG-OAHLLOKOSA-N 2 0 320.452 3.531 50 0 DHAARP Cc1ncsc1C[NH2+]C[C@@H]1CCCn2cc(C(C)(C)C)nc21 ZINC000084066524 563821003 /nfs/dbraw/zinc/82/10/03/563821003.db2.gz LBQUWODDPPEOQB-ZDUSSCGKSA-N 2 0 318.490 3.613 50 0 DHAARP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1Cc1ccccc1Cl ZINC000252517193 563916611 /nfs/dbraw/zinc/91/66/11/563916611.db2.gz BVZYSOXWRMOXCQ-IRXDYDNUSA-N 2 0 306.881 3.831 50 0 DHAARP CC[NH+](CC)CCCC[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000067449867 563949402 /nfs/dbraw/zinc/94/94/02/563949402.db2.gz SXERXLXJVUBRGP-UHFFFAOYSA-N 2 0 304.434 3.653 50 0 DHAARP Cc1c[nH+]c(C2CC2)n1[C@@H]1CCC[N@H+](Cc2ccc(C)cn2)C1 ZINC000575545567 1020974329 /nfs/dbraw/zinc/97/43/29/1020974329.db2.gz IGLHJTUPSOIQMC-GOSISDBHSA-N 2 0 310.445 3.609 50 0 DHAARP Cc1ccsc1C[NH+]1CCC(Cn2c(C)c[nH+]c2C)CC1 ZINC000575549190 1020975202 /nfs/dbraw/zinc/97/52/02/1020975202.db2.gz IYGARHJCUIAGRK-UHFFFAOYSA-N 2 0 303.475 3.782 50 0 DHAARP C/C=C(\C)C[N@H+](CCc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000015074093 1023097600 /nfs/dbraw/zinc/09/76/00/1023097600.db2.gz CWFXSUWQNJAGCQ-KZVITGMHSA-N 2 0 300.490 3.839 50 0 DHAARP C[C@@H](CCc1ccc(O)cc1)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000032507756 1024881967 /nfs/dbraw/zinc/88/19/67/1024881967.db2.gz ZQFJDABVFMZXCU-AWEZNQCLSA-N 2 0 304.478 3.612 50 0 DHAARP Fc1ccc(F)c2c1CC[C@H]2[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000095433721 185364023 /nfs/dbraw/zinc/36/40/23/185364023.db2.gz KKPYMASSYORMCL-GOSISDBHSA-N 2 0 320.427 3.760 50 0 DHAARP CC(C)Oc1ccc([C@H]([NH2+]C2CCN(C)CC2)C(C)C)cc1 ZINC000012322073 563712988 /nfs/dbraw/zinc/71/29/88/563712988.db2.gz ICSMDEAEGFZUBX-LJQANCHMSA-N 2 0 304.478 3.855 50 0 DHAARP Cc1nc(CN[C@@H](C)c2ccc(-n3ccnc3C)cc2)cs1 ZINC000084291000 563825434 /nfs/dbraw/zinc/82/54/34/563825434.db2.gz NARBDNNZSXHPIJ-LBPRGKRZSA-N 2 0 312.442 3.796 50 0 DHAARP COC(C)(C)C[C@@H](C)[NH2+]C1CCN(Cc2ccccc2C)CC1 ZINC000095967339 563933013 /nfs/dbraw/zinc/93/30/13/563933013.db2.gz ACYKIMAWCDSNIC-QGZVFWFLSA-N 2 0 318.505 3.753 50 0 DHAARP CC[C@@H]1C=CC[N@@H+]1Cc1cccc(OCCCn2ccnc2)c1 ZINC000952962553 1032671999 /nfs/dbraw/zinc/67/19/99/1032671999.db2.gz GFTPNIXEIYDFSZ-GOSISDBHSA-N 2 0 311.429 3.503 50 0 DHAARP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cccc3c4ccccc4oc31)C2 ZINC000885938846 1034513165 /nfs/dbraw/zinc/51/31/65/1034513165.db2.gz BBWAIAJDDXPUQN-HBCWATKFSA-N 2 0 306.409 3.755 50 0 DHAARP CC(C)CC[NH+]1CCC([C@@H]2CC[N@H+](Cc3cccnc3)C2)CC1 ZINC000169748992 1040860381 /nfs/dbraw/zinc/86/03/81/1040860381.db2.gz WQLBRRJGOJLXDE-HXUWFJFHSA-N 2 0 315.505 3.662 50 0 DHAARP C[NH+]1CCC(Nc2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000029569567 563454140 /nfs/dbraw/zinc/45/41/40/563454140.db2.gz PEXCQWULUILEAE-UHFFFAOYSA-N 2 0 320.440 3.591 50 0 DHAARP COCC[N@H+](C)Cc1cc(C)cc(C[NH+]2CCC[C@@H](C)C2)c1C ZINC000222513109 563725922 /nfs/dbraw/zinc/72/59/22/563725922.db2.gz LWVYXJVQSLHVOO-MRXNPFEDSA-N 2 0 318.505 3.614 50 0 DHAARP FC(F)(F)c1ccccc1C[NH2+]CCCNc1cc[nH+]cc1 ZINC000075107975 563859764 /nfs/dbraw/zinc/85/97/64/563859764.db2.gz MWUJLKAEYYATTG-UHFFFAOYSA-N 2 0 309.335 3.692 50 0 DHAARP CC[NH+](CC)CCCNc1cc(C)c2ccc(OC)cc2n1 ZINC000007735884 563918491 /nfs/dbraw/zinc/91/84/91/563918491.db2.gz AQGNZZGUUXLISM-UHFFFAOYSA-N 2 0 301.434 3.696 50 0 DHAARP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000069382005 563952686 /nfs/dbraw/zinc/95/26/86/563952686.db2.gz CALJSIWKZMXBSZ-TZMCWYRMSA-N 2 0 306.416 3.960 50 0 DHAARP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc(-c2ccccc2)no1 ZINC000888098119 1024699499 /nfs/dbraw/zinc/69/94/99/1024699499.db2.gz AGOXFEFXEHQNCF-OAHLLOKOSA-N 2 0 313.445 3.724 50 0 DHAARP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cnc(-c2ccccc2)o1 ZINC000888098170 1024699839 /nfs/dbraw/zinc/69/98/39/1024699839.db2.gz CHFBLCQLSCVDLR-HNNXBMFYSA-N 2 0 313.445 3.724 50 0 DHAARP COc1ccc(NC(=[NH2+])SCc2ccc(C[NH+](C)C)o2)cc1 ZINC000006625026 181362017 /nfs/dbraw/zinc/36/20/17/181362017.db2.gz IBQZRBKFCPECLQ-UHFFFAOYSA-N 2 0 319.430 3.630 50 0 DHAARP C/C=C(\C)C[N@H+](CCc1ccccc1)CC1CC[NH+](C)CC1 ZINC000012076019 563361727 /nfs/dbraw/zinc/36/17/27/563361727.db2.gz KZCRQMOQMVPYQV-JJPRUIFNSA-N 2 0 300.490 3.839 50 0 DHAARP Cc1nccn1CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000067490231 563487624 /nfs/dbraw/zinc/48/76/24/563487624.db2.gz LWZAJJXRODXEPW-INIZCTEOSA-N 2 0 318.852 3.685 50 0 DHAARP Cc1ccc(F)c(C[NH+]2CCC3(CC2)CCC[N@@H+](C)CC3)c1 ZINC000067756703 563490491 /nfs/dbraw/zinc/49/04/91/563490491.db2.gz XJILJBVFNIBMEZ-UHFFFAOYSA-N 2 0 304.453 3.832 50 0 DHAARP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000095967285 563932816 /nfs/dbraw/zinc/93/28/16/563932816.db2.gz JDQRCGLVYKNNRN-JVPBZIDWSA-N 2 0 302.437 3.536 50 0 DHAARP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cc(F)c(F)c(F)c1 ZINC000095968640 563933189 /nfs/dbraw/zinc/93/31/89/563933189.db2.gz JYNUQIGSNKDOBC-NDNKKMJESA-N 2 0 312.379 3.770 50 0 DHAARP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCS2 ZINC000095974237 563933727 /nfs/dbraw/zinc/93/37/27/563933727.db2.gz YNYXFUJWEBREGC-BFYDXBDKSA-N 2 0 302.487 3.748 50 0 DHAARP CC(C)C[N@H+](C)C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000012314112 1020053766 /nfs/dbraw/zinc/05/37/66/1020053766.db2.gz SRJAZASKSMMDBZ-SFHVURJKSA-N 2 0 306.469 3.668 50 0 DHAARP Cc1c[nH+]ccc1N1CCC[N@H+](Cc2cc3ccccc3o2)CC1 ZINC000077407240 563509858 /nfs/dbraw/zinc/50/98/58/563509858.db2.gz XJCUFNUMRLCXDQ-UHFFFAOYSA-N 2 0 321.424 3.849 50 0 DHAARP CC(C)C[NH+]1CCC(N[C@@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000095967254 563932977 /nfs/dbraw/zinc/93/29/77/563932977.db2.gz JXCCFADSSRXDFJ-GOSISDBHSA-N 2 0 316.489 3.999 50 0 DHAARP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cc(F)c(F)c(F)c1 ZINC000095968639 563933256 /nfs/dbraw/zinc/93/32/56/563933256.db2.gz JYNUQIGSNKDOBC-HLVVYCRESA-N 2 0 312.379 3.770 50 0 DHAARP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000808672367 1013565453 /nfs/dbraw/zinc/56/54/53/1013565453.db2.gz LCFGTOYHHXLAHR-HNNXBMFYSA-N 2 0 320.452 3.720 50 0 DHAARP COc1ccc2c(c1F)CC[C@H]2[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000808672368 1013566284 /nfs/dbraw/zinc/56/62/84/1013566284.db2.gz LCFGTOYHHXLAHR-OAHLLOKOSA-N 2 0 320.452 3.720 50 0 DHAARP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3ccsc3)cc2)CC1 ZINC000283822257 1014671173 /nfs/dbraw/zinc/67/11/73/1014671173.db2.gz DAJWWHBDFINHGP-UHFFFAOYSA-N 2 0 316.470 3.511 50 0 DHAARP Cc1ccc(C[N@@H+]2CC[C@@H](n3c(C)c[nH+]c3C3CC3)C2)s1 ZINC000575550743 1020976363 /nfs/dbraw/zinc/97/63/63/1020976363.db2.gz XSEJGCCXNFYDFY-OAHLLOKOSA-N 2 0 301.459 3.886 50 0 DHAARP CN(C)c1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000119840676 195046582 /nfs/dbraw/zinc/04/65/82/195046582.db2.gz UEXQHNZTJHNKCL-UHFFFAOYSA-N 2 0 315.505 3.639 50 0 DHAARP C[C@H](c1ccc(C[N@@H+]2CCCC3(CCOCC3)C2)cc1)[NH+](C)C ZINC000097681949 563541981 /nfs/dbraw/zinc/54/19/81/563541981.db2.gz IRYLIPQFZQTNIU-QGZVFWFLSA-N 2 0 316.489 3.702 50 0 DHAARP C[NH2+]CCC[NH2+]Cc1cn(Cc2cccc(C)c2)c2ccccc12 ZINC000247949610 563781899 /nfs/dbraw/zinc/78/18/99/563781899.db2.gz XRXIQORKEJNPSK-UHFFFAOYSA-N 2 0 321.468 3.697 50 0 DHAARP Cc1ncsc1C[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000086279343 563844938 /nfs/dbraw/zinc/84/49/38/563844938.db2.gz AJRCGFDIHPXMEF-GFCCVEGCSA-N 2 0 312.442 3.796 50 0 DHAARP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000089375358 563885690 /nfs/dbraw/zinc/88/56/90/563885690.db2.gz BVZYSOXWRMOXCQ-DLBZAZTESA-N 2 0 306.881 3.831 50 0 DHAARP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCS2 ZINC000095974239 563933651 /nfs/dbraw/zinc/93/36/51/563933651.db2.gz YNYXFUJWEBREGC-ZMSDIMECSA-N 2 0 302.487 3.748 50 0 DHAARP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc(-c2ccccc2)no1 ZINC000888098117 1024700203 /nfs/dbraw/zinc/70/02/03/1024700203.db2.gz AGOXFEFXEHQNCF-HNNXBMFYSA-N 2 0 313.445 3.724 50 0 DHAARP c1cncc(C[NH+]2CCC([C@@H]3CC[N@@H+](C4CCCC4)C3)CC2)c1 ZINC000020599854 182236482 /nfs/dbraw/zinc/23/64/82/182236482.db2.gz OYNUKNCYOADSJC-LJQANCHMSA-N 2 0 313.489 3.558 50 0 DHAARP C[NH2+]CCC[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000008377110 563346758 /nfs/dbraw/zinc/34/67/58/563346758.db2.gz ZVHIVWJCRKDWLD-UHFFFAOYSA-N 2 0 318.848 3.618 50 0 DHAARP CCc1ccc(CC[NH2+]C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000055183294 563471846 /nfs/dbraw/zinc/47/18/46/563471846.db2.gz RIVJBIPPLIQZSO-VQTJNVASSA-N 2 0 300.490 3.646 50 0 DHAARP Cc1ccc(CN(C)Cc2cc(C[NH+]3CCCC3)cs2)o1 ZINC000216435847 563709917 /nfs/dbraw/zinc/70/99/17/563709917.db2.gz KYLXXPSGJZEXMA-UHFFFAOYSA-N 2 0 304.459 3.877 50 0 DHAARP COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000095422496 563931356 /nfs/dbraw/zinc/93/13/56/563931356.db2.gz SCDNEGNOBNEELL-CQSZACIVSA-N 2 0 316.420 3.747 50 0 DHAARP Cc1ccc(CN(C)Cc2ccc(C[NH+]3CCCC3)s2)o1 ZINC000215056170 1024520928 /nfs/dbraw/zinc/52/09/28/1024520928.db2.gz BFIPAPVQTSBBEJ-UHFFFAOYSA-N 2 0 304.459 3.877 50 0 DHAARP C[N@H+](Cc1cc(C[NH+]2CCCC2)cs1)[C@@H]1CCOC(C)(C)C1 ZINC000215805907 1024526035 /nfs/dbraw/zinc/52/60/35/1024526035.db2.gz QEJALCPRPWVVPP-MRXNPFEDSA-N 2 0 322.518 3.733 50 0 DHAARP CC[N@@H+](Cc1cc(C[NH+]2CCCCC2)cs1)C[C@@H]1CCCO1 ZINC000223305020 1024591497 /nfs/dbraw/zinc/59/14/97/1024591497.db2.gz FDCKORKLUALIKT-KRWDZBQOSA-N 2 0 322.518 3.735 50 0 DHAARP C[C@@H]1OCC[C@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000095431675 185363371 /nfs/dbraw/zinc/36/33/71/185363371.db2.gz SYGSCHKZLMANNY-HRAATJIYSA-N 2 0 324.468 3.682 50 0 DHAARP CC[C@@H]([NH2+]C1CCC2(CC[NH2+]CC2)CC1)c1cc(C)ccn1 ZINC000067784716 563490768 /nfs/dbraw/zinc/49/07/68/563490768.db2.gz SZDQTFRIJDSRIM-QGZVFWFLSA-N 2 0 301.478 3.743 50 0 DHAARP COc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)CC2)c(F)c1 ZINC000216292897 563709306 /nfs/dbraw/zinc/70/93/06/563709306.db2.gz AWFXSVKQDYEEJF-UHFFFAOYSA-N 2 0 320.452 3.532 50 0 DHAARP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000241121741 563880403 /nfs/dbraw/zinc/88/04/03/563880403.db2.gz JDQRCGLVYKNNRN-CCKFTAQKSA-N 2 0 302.437 3.536 50 0 DHAARP c1cc(OCCC[NH+]2CCCCC2)ccc1C[NH+]1CCCCC1 ZINC000001552001 563284758 /nfs/dbraw/zinc/28/47/58/563284758.db2.gz PTKHFRNHJULJKT-UHFFFAOYSA-N 2 0 316.489 3.927 50 0 in-vitro DHAARP C[C@H](C1CC[NH+](CC2Cc3ccccc3C2)CC1)[NH+]1CCCC1 ZINC000020600065 563417377 /nfs/dbraw/zinc/41/73/77/563417377.db2.gz IRDDTSWSQWQKIM-QGZVFWFLSA-N 2 0 312.501 3.598 50 0 DHAARP C[NH2+]CCC[NH2+]C1CCN(c2ccc(-c3ccccc3)cc2)CC1 ZINC000063872368 563485469 /nfs/dbraw/zinc/48/54/69/563485469.db2.gz AGFXLUJFXWGZHL-UHFFFAOYSA-N 2 0 323.484 3.522 50 0 DHAARP C[C@@H](c1cccc(C[NH+]2CCC3(CCOCC3)CC2)c1)[NH+](C)C ZINC000216165280 563708326 /nfs/dbraw/zinc/70/83/26/563708326.db2.gz ILXHAXAEMNYMHU-KRWDZBQOSA-N 2 0 316.489 3.702 50 0 DHAARP c1ccc(-[n+]2ccc(-c3cc[n+](-c4ccccc4)cc3)cc2)cc1 ZINC000001569191 568412248 /nfs/dbraw/zinc/41/22/48/568412248.db2.gz FRAALLYKYQKVNX-UHFFFAOYSA-N 2 0 310.400 3.907 50 0 DHAARP CC[C@H]1C=CC[N@@H+]1Cc1ccc(OC)c(C[NH+](CC)CC)c1 ZINC000952870031 1032669285 /nfs/dbraw/zinc/66/92/85/1032669285.db2.gz QHBNGEOCFYYQFF-SFHVURJKSA-N 2 0 302.462 3.687 50 0 DHAARP C[C@H]1OCC[C@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000095431674 185363613 /nfs/dbraw/zinc/36/36/13/185363613.db2.gz SYGSCHKZLMANNY-IIBYNOLFSA-N 2 0 324.468 3.682 50 0 DHAARP C[NH+](C)Cc1ccc(Sc2ccccc2C[NH+](C)C)cc1 ZINC000006637775 181363678 /nfs/dbraw/zinc/36/36/78/181363678.db2.gz PKBDFPKSSGWSQS-UHFFFAOYSA-N 2 0 300.471 3.961 50 0 DHAARP CCCC[N@H+](CCCCO)CCC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000019224203 182107986 /nfs/dbraw/zinc/10/79/86/182107986.db2.gz VBAOYQMXJRLNSP-UHFFFAOYSA-N 2 0 312.542 3.808 50 0 DHAARP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c(C)s1 ZINC000095422681 563931399 /nfs/dbraw/zinc/93/13/99/563931399.db2.gz LWMKZZBJJMNJKS-ZBFHGGJFSA-N 2 0 322.518 3.516 50 0 DHAARP C[N@H+](C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1)C1CCC1 ZINC000015063815 563406090 /nfs/dbraw/zinc/40/60/90/563406090.db2.gz KVTXUAPVDOLSBM-QGZVFWFLSA-N 2 0 304.453 3.565 50 0 DHAARP Cc1nccn1CC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000067490233 563487924 /nfs/dbraw/zinc/48/79/24/563487924.db2.gz LWZAJJXRODXEPW-MRXNPFEDSA-N 2 0 318.852 3.685 50 0 DHAARP c1ccc2c[n+](CCC[n+]3ccc4ccccc4c3)ccc2c1 ZINC000001668735 563524945 /nfs/dbraw/zinc/52/49/45/563524945.db2.gz HBXFIMPYRSNUQN-UHFFFAOYSA-N 2 0 300.405 3.658 50 0 DHAARP C[C@@H](c1ccc(C[N@@H+]2CCCC3(CCOCC3)C2)cc1)[NH+](C)C ZINC000097681948 563542066 /nfs/dbraw/zinc/54/20/66/563542066.db2.gz IRYLIPQFZQTNIU-KRWDZBQOSA-N 2 0 316.489 3.702 50 0 DHAARP Cc1nccn1-c1ccc(C[NH2+]Cc2cccc(Cl)c2)cn1 ZINC000048782280 563700138 /nfs/dbraw/zinc/70/01/38/563700138.db2.gz BESXKIYWFFJDEO-UHFFFAOYSA-N 2 0 312.804 3.519 50 0 DHAARP C[N@H+](Cc1ccsc1)Cc1ccccc1C[NH+]1CCCC1 ZINC000215198616 563704107 /nfs/dbraw/zinc/70/41/07/563704107.db2.gz BCGPCYLAMKAWQN-UHFFFAOYSA-N 2 0 300.471 3.976 50 0 DHAARP COCC[N@H+](C)Cc1cc(C)cc(C[NH+]2CCC[C@H](C)C2)c1C ZINC000230579746 563773191 /nfs/dbraw/zinc/77/31/91/563773191.db2.gz LWVYXJVQSLHVOO-INIZCTEOSA-N 2 0 318.505 3.614 50 0 DHAARP C[NH+](C)Cc1ccc([C@@H]2CCC[N@@H+]2CC2(C)CCOCC2)cc1 ZINC000952870283 1032668680 /nfs/dbraw/zinc/66/86/80/1032668680.db2.gz VGJPBGGXZDRVPD-IBGZPJMESA-N 2 0 316.489 3.702 50 0 DHAARP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ncc(-c2ccccc2)o1 ZINC000888099154 1024702670 /nfs/dbraw/zinc/70/26/70/1024702670.db2.gz WQKOCXYMXWQYMK-OAHLLOKOSA-N 2 0 313.445 3.724 50 0 DHAARP CC[NH+]1CCC([NH2+]C[C@@H](C)Oc2ccc(C(C)C)cc2)CC1 ZINC000585082862 1029628111 /nfs/dbraw/zinc/62/81/11/1029628111.db2.gz AATZNWOPAIGRHR-MRXNPFEDSA-N 2 0 304.478 3.651 50 0 DHAARP Fc1ccc(F)c2c1CC[C@@H]2[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000095433720 185363956 /nfs/dbraw/zinc/36/39/56/185363956.db2.gz KKPYMASSYORMCL-SFHVURJKSA-N 2 0 320.427 3.760 50 0 DHAARP [NH3+]CCCOc1ccc(C[N@H+]2CC=C(c3ccccc3)CC2)cc1 ZINC000299791246 534617960 /nfs/dbraw/zinc/61/79/60/534617960.db2.gz DKECNJXMIUEISQ-UHFFFAOYSA-N 2 0 322.452 3.704 50 0 DHAARP CCC[NH+]1CCC([N@@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)CC1 ZINC000012589532 563371630 /nfs/dbraw/zinc/37/16/30/563371630.db2.gz XXJJSQCLYAONFQ-GOSISDBHSA-N 2 0 319.468 3.576 50 0 DHAARP C[N@H+](C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1)C1CCC1 ZINC000015063814 563406045 /nfs/dbraw/zinc/40/60/45/563406045.db2.gz KVTXUAPVDOLSBM-KRWDZBQOSA-N 2 0 304.453 3.565 50 0 DHAARP C[C@@H](c1cccc(C[N@H+](Cc2cccnc2)C2CC2)c1)[NH+](C)C ZINC000216314939 563708739 /nfs/dbraw/zinc/70/87/39/563708739.db2.gz YWLXNQSWUPDTFA-INIZCTEOSA-N 2 0 309.457 3.869 50 0 DHAARP COc1ccc(CC[C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000032587002 563769627 /nfs/dbraw/zinc/76/96/27/563769627.db2.gz XQSUQPFXNUEHFW-OAHLLOKOSA-N 2 0 318.505 3.915 50 0 DHAARP C[C@H]([NH2+]C1CCC(C[NH+](C)C)CC1)c1cc(F)c(F)c(F)c1 ZINC000090707457 563873885 /nfs/dbraw/zinc/87/38/85/563873885.db2.gz FNAJUVXNDJVBHJ-DCBWTQNWSA-N 2 0 314.395 3.875 50 0 DHAARP C[C@@H](c1cccc(CN(C)CC[NH+]2CCCCCC2)c1)[NH+](C)C ZINC000823709390 1020444380 /nfs/dbraw/zinc/44/43/80/1020444380.db2.gz SDHVHEFXCXFGPM-SFHVURJKSA-N 2 0 317.521 3.617 50 0 DHAARP Cc1cc(N(C)CC2CC[NH+](Cc3ccccc3)CC2)cc[nH+]1 ZINC000095507985 185375893 /nfs/dbraw/zinc/37/58/93/185375893.db2.gz CGQSYDMVURQJKW-UHFFFAOYSA-N 2 0 309.457 3.738 50 0 DHAARP C[C@H](C1CC[NH+](Cc2ccc(O)c(Cl)c2)CC1)[NH+]1CCCC1 ZINC000072430180 191163357 /nfs/dbraw/zinc/16/33/57/191163357.db2.gz BGSXEPYXWLHMJS-CQSZACIVSA-N 2 0 322.880 3.742 50 0 DHAARP Cc1nc[nH]c1C[N@H+]1CCCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000072408262 257270827 /nfs/dbraw/zinc/27/08/27/257270827.db2.gz OJCIQHIFIPCNJT-IBGZPJMESA-N 2 0 312.461 3.507 50 0 DHAARP C[NH2+]CCC[NH2+]Cc1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000248123147 563783007 /nfs/dbraw/zinc/78/30/07/563783007.db2.gz VWCFWOVNFZLGJD-UHFFFAOYSA-N 2 0 321.468 3.697 50 0 DHAARP C[NH+](C)Cc1ccc([C@H]2CCC[N@@H+]2CC2(C)CCOCC2)cc1 ZINC000952870285 1032666975 /nfs/dbraw/zinc/66/69/75/1032666975.db2.gz VGJPBGGXZDRVPD-LJQANCHMSA-N 2 0 316.489 3.702 50 0 DHAARP Cc1cnc(C2CC2)n1C[C@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC000581813812 1021856031 /nfs/dbraw/zinc/85/60/31/1021856031.db2.gz IEASLBHXBIOERB-INIZCTEOSA-N 2 0 313.420 3.730 50 0 DHAARP C[C@@H](C1CC[NH+](CC2Cc3ccccc3C2)CC1)[NH+]1CCCC1 ZINC000020600064 563417371 /nfs/dbraw/zinc/41/73/71/563417371.db2.gz IRDDTSWSQWQKIM-KRWDZBQOSA-N 2 0 312.501 3.598 50 0 DHAARP COc1cccc([C@@H](C)[NH2+]C2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000067956132 563494215 /nfs/dbraw/zinc/49/42/15/563494215.db2.gz QFDHIXYXQYUVKA-OAHLLOKOSA-N 2 0 302.462 3.658 50 0 DHAARP CC[C@H]1CCC[N@@H+]1Cc1ccccc1OCC[NH+]1CCCCC1 ZINC000244620004 563779039 /nfs/dbraw/zinc/77/90/39/563779039.db2.gz FKBCACRDGBTFQG-IBGZPJMESA-N 2 0 316.489 3.926 50 0 DHAARP Cc1ccc(C[N@@H+]2CC[C@H](n3c(C)c[nH+]c3C3CC3)C2)s1 ZINC000575550728 1020975380 /nfs/dbraw/zinc/97/53/80/1020975380.db2.gz XSEJGCCXNFYDFY-HNNXBMFYSA-N 2 0 301.459 3.886 50 0 DHAARP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)s1)C[C@@H]1CCCCO1 ZINC000214959065 1024518341 /nfs/dbraw/zinc/51/83/41/1024518341.db2.gz MYHSYYYNEPCYMD-INIZCTEOSA-N 2 0 322.518 3.735 50 0 DHAARP C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000095431677 185363592 /nfs/dbraw/zinc/36/35/92/185363592.db2.gz SYGSCHKZLMANNY-KKSFZXQISA-N 2 0 324.468 3.682 50 0 DHAARP C[NH+](C)Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccncc2)cc1 ZINC000072480140 191180622 /nfs/dbraw/zinc/18/06/22/191180622.db2.gz FXQMHXJSKNPOJV-FQEVSTJZSA-N 2 0 309.457 3.870 50 0 DHAARP C[C@@H](C[NH3+])Oc1ccc(C[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000299789853 229445283 /nfs/dbraw/zinc/44/52/83/229445283.db2.gz ADUJFNPQFPHCJG-KRWDZBQOSA-N 2 0 324.468 3.792 50 0 DHAARP CS[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000252512081 563916514 /nfs/dbraw/zinc/91/65/14/563916514.db2.gz MFRRLFHEZHWJCH-LEUOFYLZSA-N 2 0 310.551 3.903 50 0 DHAARP C[n+]1c2sc(-c3ccccc3)[n+](C)c2sc1-c1ccccc1 ZINC000002519535 563307901 /nfs/dbraw/zinc/30/79/01/563307901.db2.gz RKRWBAQLCDSHET-UHFFFAOYSA-N 2 0 324.474 3.946 50 0 DHAARP Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(Cl)c1Cl ZINC000067772738 563490542 /nfs/dbraw/zinc/49/05/42/563490542.db2.gz ZXFJRHUVWRZRKZ-UHFFFAOYSA-N 2 0 313.272 3.877 50 0 DHAARP C[NH+](C)CCCOc1cccc(C[N@@H+]2CCC3(CCCC3)C2)c1 ZINC000216374602 563709346 /nfs/dbraw/zinc/70/93/46/563709346.db2.gz WQKHXVPBTLQMQP-UHFFFAOYSA-N 2 0 316.489 3.783 50 0 DHAARP CS[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000252512080 563916452 /nfs/dbraw/zinc/91/64/52/563916452.db2.gz MFRRLFHEZHWJCH-LAVFITLUSA-N 2 0 310.551 3.903 50 0 DHAARP CC1(C)C[C@@H]([NH2+]CCc2cn3ccccc3n2)c2ccccc2O1 ZINC000095967253 563932821 /nfs/dbraw/zinc/93/28/21/563932821.db2.gz YCKCDDPJTSJMMB-QGZVFWFLSA-N 2 0 321.424 3.769 50 0 DHAARP C[N@H+](Cc1ccsc1)Cc1cccc(OC2CC[NH2+]CC2)c1 ZINC000299785992 1015085730 /nfs/dbraw/zinc/08/57/30/1015085730.db2.gz OVUVICCRZGADMT-UHFFFAOYSA-N 2 0 316.470 3.511 50 0 DHAARP Cc1ccc(C[NH+]2CCC(Cn3c(C)c[nH+]c3C3CC3)CC2)o1 ZINC000575550937 1020975535 /nfs/dbraw/zinc/97/55/35/1020975535.db2.gz ZGHYIAAZELGECE-UHFFFAOYSA-N 2 0 313.445 3.883 50 0 DHAARP COc1c(F)cccc1C[NH+]1CCC([C@H](C)[NH+]2CCCC2)CC1 ZINC000216239866 563708385 /nfs/dbraw/zinc/70/83/85/563708385.db2.gz MIGILEVIMVSYRG-HNNXBMFYSA-N 2 0 320.452 3.531 50 0 DHAARP C[C@H](c1cccc(C[N@H+](Cc2cccnc2)C2CC2)c1)[NH+](C)C ZINC000216314984 563709062 /nfs/dbraw/zinc/70/90/62/563709062.db2.gz YWLXNQSWUPDTFA-MRXNPFEDSA-N 2 0 309.457 3.869 50 0 DHAARP Cc1nccn1CCC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000244873307 563779783 /nfs/dbraw/zinc/77/97/83/563779783.db2.gz WNWRZKYSMMPWLG-GOSISDBHSA-N 2 0 323.444 3.685 50 0 DHAARP c1cc(OC2CC[NH2+]CC2)ccc1C[NH+]1CCCCCCC1 ZINC000299781589 563805965 /nfs/dbraw/zinc/80/59/65/563805965.db2.gz VKOHRHRROHGXEM-UHFFFAOYSA-N 2 0 302.462 3.584 50 0 DHAARP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000096476612 563937274 /nfs/dbraw/zinc/93/72/74/563937274.db2.gz YWNSPUQHHJOWJP-QAPCUYQASA-N 2 0 312.457 3.507 50 0 DHAARP c1nc(-c2ccccc2)sc1C[NH2+]C1CCN(C2CC2)CC1 ZINC000066970715 563948169 /nfs/dbraw/zinc/94/81/69/563948169.db2.gz SAYKEVMJVSIBKV-UHFFFAOYSA-N 2 0 313.470 3.527 50 0 DHAARP C[C@H]1OCC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000095431676 185363579 /nfs/dbraw/zinc/36/35/79/185363579.db2.gz SYGSCHKZLMANNY-IERDGZPVSA-N 2 0 324.468 3.682 50 0 DHAARP C[NH+](C)Cc1ccc([C@@H]2CCCC[N@@H+]2CCc2ccccn2)cc1 ZINC000072169163 191068659 /nfs/dbraw/zinc/06/86/59/191068659.db2.gz PQFIXXFZSGOYCZ-NRFANRHFSA-N 2 0 323.484 3.913 50 0 DHAARP C[NH+](C)Cc1ccc([C@H]2CCCC[N@@H+]2CCc2ccccn2)cc1 ZINC000072169164 191068731 /nfs/dbraw/zinc/06/87/31/191068731.db2.gz PQFIXXFZSGOYCZ-OAQYLSRUSA-N 2 0 323.484 3.913 50 0 DHAARP C[NH+](C)Cc1ccc([C@H]2CCCC[N@@H+]2Cc2ccncc2)cc1 ZINC000072480141 191180704 /nfs/dbraw/zinc/18/07/04/191180704.db2.gz FXQMHXJSKNPOJV-HXUWFJFHSA-N 2 0 309.457 3.870 50 0 DHAARP Clc1cccc(-c2ccc(C[NH2+]CC3CC[NH2+]CC3)o2)c1 ZINC000010434739 181669464 /nfs/dbraw/zinc/66/94/64/181669464.db2.gz LRYASIBEXVGUNW-UHFFFAOYSA-N 2 0 304.821 3.689 50 0 DHAARP Fc1ccc(-c2ccc(C[NH2+]CC3CC[NH2+]CC3)o2)cc1Cl ZINC000016578202 182049684 /nfs/dbraw/zinc/04/96/84/182049684.db2.gz GQUBZWHJPYMCMJ-UHFFFAOYSA-N 2 0 322.811 3.828 50 0 DHAARP C(C1CCCCC1)[N@@H+]1CCC[C@@]2(CC[NH+](C3CCOCC3)C2)C1 ZINC000039380372 183016961 /nfs/dbraw/zinc/01/69/61/183016961.db2.gz HXIXUXJXFJOYLZ-HXUWFJFHSA-N 2 0 320.521 3.534 50 0 DHAARP Cc1ccc2[nH]c(CC[N@@H+](C)Cc3ccccc3)c(CC[NH3+])c2c1 ZINC000032919468 563444300 /nfs/dbraw/zinc/44/43/00/563444300.db2.gz PQHYZGPCXNVQOB-UHFFFAOYSA-N 2 0 321.468 3.652 50 0 DHAARP CC[NH+]1CCC([NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000002498920 563448999 /nfs/dbraw/zinc/44/89/99/563448999.db2.gz LJKJDDIZRNCSON-UHFFFAOYSA-N 2 0 308.469 3.892 50 0 DHAARP C[C@H]1CC[N@H+](CCSc2ccccc2)C[C@H]1n1ccnc1 ZINC000247628920 563530931 /nfs/dbraw/zinc/53/09/31/563530931.db2.gz NRJWNEASDKXHSH-DOTOQJQBSA-N 2 0 301.459 3.558 50 0 DHAARP Cc1nccn1CCC[N@@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000244873308 563780052 /nfs/dbraw/zinc/78/00/52/563780052.db2.gz WNWRZKYSMMPWLG-SFHVURJKSA-N 2 0 323.444 3.685 50 0 DHAARP CC(C)C[NH+]1CCC(N[C@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000095967255 563932972 /nfs/dbraw/zinc/93/29/72/563932972.db2.gz JXCCFADSSRXDFJ-SFHVURJKSA-N 2 0 316.489 3.999 50 0 DHAARP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000096476608 563937126 /nfs/dbraw/zinc/93/71/26/563937126.db2.gz YWNSPUQHHJOWJP-YJBOKZPZSA-N 2 0 312.457 3.507 50 0 DHAARP c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000096476606 563937184 /nfs/dbraw/zinc/93/71/84/563937184.db2.gz YWNSPUQHHJOWJP-MAUKXSAKSA-N 2 0 312.457 3.507 50 0 DHAARP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC(C)(C)C[NH+](C)C ZINC000002497439 1014771279 /nfs/dbraw/zinc/77/12/79/1014771279.db2.gz PJJFVSQPGJTEMT-ZDUSSCGKSA-N 2 0 316.411 3.814 50 0 DHAARP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC(C)(C)C[NH+](C)C ZINC000002497440 1014771849 /nfs/dbraw/zinc/77/18/49/1014771849.db2.gz PJJFVSQPGJTEMT-CYBMUJFWSA-N 2 0 316.411 3.814 50 0 DHAARP CC[N@@H+](Cc1ccc(-c2ccccn2)cc1)C[C@H]1CC[NH+](C)C1 ZINC000952973924 1032676680 /nfs/dbraw/zinc/67/66/80/1032676680.db2.gz YWRLRDQAKOIOQR-SFHVURJKSA-N 2 0 309.457 3.522 50 0 DHAARP CC[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1nc(C)c(C)s1 ZINC000952979169 1032677701 /nfs/dbraw/zinc/67/77/01/1032677701.db2.gz RFWYKPQTZSOPOD-MRXNPFEDSA-N 2 0 303.475 3.502 50 0 DHAARP c1ccc2c(c1)oc1c2cccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000826814922 1020728580 /nfs/dbraw/zinc/72/85/80/1020728580.db2.gz PZTIYCBGTNHPQY-QGFMHUBQSA-N 2 0 318.420 3.768 50 0 DHAARP C[N@H+](Cc1cccs1)Cc1cccc(OC2CC[NH2+]CC2)c1 ZINC000299770556 1023300784 /nfs/dbraw/zinc/30/07/84/1023300784.db2.gz TUZFSQQQCOKNAO-UHFFFAOYSA-N 2 0 316.470 3.511 50 0 DHAARP CC[N@H+](C)Cc1cccc(C[NH2+]CC2=Cc3ccccc3OC2)c1 ZINC000105449162 1033841285 /nfs/dbraw/zinc/84/12/85/1033841285.db2.gz LQLXREGPQSPKAY-UHFFFAOYSA-N 2 0 322.452 3.704 50 0 DHAARP CC[NH+]1CCC([NH2+]CCc2ccc(Cl)cc2Cl)CC1 ZINC000000279611 1036767116 /nfs/dbraw/zinc/76/71/16/1036767116.db2.gz HLRCQXKPKBPUIK-UHFFFAOYSA-N 2 0 301.261 3.610 50 0 DHAARP C[NH+](C)CCNc1c2c([nH+]c3ccccc31)-c1ccc(F)cc1C2 ZINC000004542558 181122712 /nfs/dbraw/zinc/12/27/12/181122712.db2.gz TXSHDIICQGHFPZ-UHFFFAOYSA-N 2 0 321.399 3.919 50 0 DHAARP c1cncc(C[NH+]2CCC([C@H]3CC[N@@H+](C4CCCC4)C3)CC2)c1 ZINC000020599855 182236487 /nfs/dbraw/zinc/23/64/87/182236487.db2.gz OYNUKNCYOADSJC-IBGZPJMESA-N 2 0 313.489 3.558 50 0 DHAARP Cc1csc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000107359446 563683768 /nfs/dbraw/zinc/68/37/68/563683768.db2.gz YJRWCBAWJJASPI-DOTOQJQBSA-N 2 0 315.486 3.594 50 0 DHAARP Cc1nccn1-c1ccc(C[NH2+]Cc2c(C)cc(C)cc2C)cn1 ZINC000048782308 563699833 /nfs/dbraw/zinc/69/98/33/563699833.db2.gz PWBYHBDPVKXOCB-UHFFFAOYSA-N 2 0 320.440 3.791 50 0 DHAARP C[C@H](c1cccc(C[NH+]2CCC3(CCOCC3)CC2)c1)[NH+](C)C ZINC000216165329 563708346 /nfs/dbraw/zinc/70/83/46/563708346.db2.gz ILXHAXAEMNYMHU-QGZVFWFLSA-N 2 0 316.489 3.702 50 0 DHAARP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1Cc1ccccc1Cl ZINC000252517194 563916635 /nfs/dbraw/zinc/91/66/35/563916635.db2.gz BVZYSOXWRMOXCQ-SJORKVTESA-N 2 0 306.881 3.831 50 0 DHAARP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000069382001 563952694 /nfs/dbraw/zinc/95/26/94/563952694.db2.gz CALJSIWKZMXBSZ-JSGCOSHPSA-N 2 0 306.416 3.960 50 0 DHAARP CC[NH+]1CCC2(CC1)C[N@@H+](C1CCCC1)Cc1ccccc1O2 ZINC000257175904 1022186003 /nfs/dbraw/zinc/18/60/03/1022186003.db2.gz ABPAGEANGOTTFE-UHFFFAOYSA-N 2 0 314.473 3.678 50 0 DHAARP C[NH+]1CCC(C2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)CC1 ZINC000072162801 191064081 /nfs/dbraw/zinc/06/40/81/191064081.db2.gz NHQUUYABKZOQTF-NSCUHMNNSA-N 2 0 316.464 3.893 50 0 DHAARP COc1ccc2[nH+]c(-c3ccccc3)cc(NCC[NH+](C)C)c2c1 ZINC000000084138 563214417 /nfs/dbraw/zinc/21/44/17/563214417.db2.gz OTJLWBWIOKBDGF-UHFFFAOYSA-N 2 0 321.424 3.884 50 0 DHAARP CC(C)C[N@@H+](Cc1ccccn1)CC1CC[NH+](C(C)C)CC1 ZINC000055211629 563472606 /nfs/dbraw/zinc/47/26/06/563472606.db2.gz GBWLVUKOHMINJK-UHFFFAOYSA-N 2 0 303.494 3.660 50 0 DHAARP COc1ccc(F)cc1C[NH+]1CCC2(CC1)CCC[N@H+](C)CC2 ZINC000067805477 563491616 /nfs/dbraw/zinc/49/16/16/563491616.db2.gz OYSIQQLGGPRWPZ-UHFFFAOYSA-N 2 0 320.452 3.532 50 0 DHAARP CC[C@@H]1CCC[N@@H+]1Cc1ccccc1OCC[NH+]1CCCCC1 ZINC000244620005 563779182 /nfs/dbraw/zinc/77/91/82/563779182.db2.gz FKBCACRDGBTFQG-LJQANCHMSA-N 2 0 316.489 3.926 50 0 DHAARP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c(C)s1 ZINC000095422684 563931387 /nfs/dbraw/zinc/93/13/87/563931387.db2.gz LWMKZZBJJMNJKS-GOEBONIOSA-N 2 0 322.518 3.516 50 0 DHAARP CCCC[N@H+](C)CC1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC000066960604 563948206 /nfs/dbraw/zinc/94/82/06/563948206.db2.gz BZPJZABACCAUGE-HNNXBMFYSA-N 2 0 322.497 3.698 50 0 DHAARP CC(C)Oc1ccc([C@@H]([NH2+]C2CCN(C)CC2)C(C)C)cc1 ZINC000012322072 563713008 /nfs/dbraw/zinc/71/30/08/563713008.db2.gz ICSMDEAEGFZUBX-IBGZPJMESA-N 2 0 304.478 3.855 50 0 DHAARP Cc1oc(-c2ccccc2C)nc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000067654481 563488503 /nfs/dbraw/zinc/48/85/03/563488503.db2.gz OXBFYQSJTCHJGS-MRXNPFEDSA-N 2 0 313.445 3.519 50 0 DHAARP CC(C)c1nc(C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)cs1 ZINC000067872949 563492816 /nfs/dbraw/zinc/49/28/16/563492816.db2.gz VAZJAPRVPULRKR-UHFFFAOYSA-N 2 0 307.507 3.669 50 0 DHAARP c1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000108494406 563688481 /nfs/dbraw/zinc/68/84/81/563688481.db2.gz JOLRAJSQTZKBJR-IPMKNSEASA-N 2 0 312.482 3.748 50 0 DHAARP CS[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000252512079 563916551 /nfs/dbraw/zinc/91/65/51/563916551.db2.gz MFRRLFHEZHWJCH-BZZMCLGOSA-N 2 0 310.551 3.903 50 0 DHAARP C(C1CCCCC1)[N@@H+]1CCC[C@]2(CC[NH+](C3CCOCC3)C2)C1 ZINC000039380370 183017037 /nfs/dbraw/zinc/01/70/37/183017037.db2.gz HXIXUXJXFJOYLZ-FQEVSTJZSA-N 2 0 320.521 3.534 50 0 DHAARP CC(C)c1nccn1CCC[NH2+]CC[C@H](C)CCCC(C)(C)O ZINC000032508991 563442423 /nfs/dbraw/zinc/44/24/23/563442423.db2.gz ZAQKVFKBJUGSBP-QGZVFWFLSA-N 2 0 323.525 3.954 50 0 DHAARP COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000055099638 563470939 /nfs/dbraw/zinc/47/09/39/563470939.db2.gz ASZXTKWSJUWJPA-HHXXYDBFSA-N 2 0 302.462 3.610 50 0 DHAARP CC[C@@H]1C=CC[N@@H+]1Cc1ccc(OC)c(C[NH+](CC)CC)c1 ZINC000952870030 1032667770 /nfs/dbraw/zinc/66/77/70/1032667770.db2.gz QHBNGEOCFYYQFF-GOSISDBHSA-N 2 0 302.462 3.687 50 0 DHAARP C/C=C(\C)C[N@H+](CCc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000015074094 1031569400 /nfs/dbraw/zinc/56/94/00/1031569400.db2.gz CWFXSUWQNJAGCQ-VXQLYJCQSA-N 2 0 300.490 3.839 50 0 DHAARP Cc1ccc(-c2ccc(C[NH2+]CC3CC[NH2+]CC3)o2)cc1Cl ZINC000010434753 181669917 /nfs/dbraw/zinc/66/99/17/181669917.db2.gz WCQMLPSYWKPCGR-UHFFFAOYSA-N 2 0 318.848 3.998 50 0 DHAARP Cc1nc[nH]c1C[N@H+]1CCCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000072408261 257270937 /nfs/dbraw/zinc/27/09/37/257270937.db2.gz OJCIQHIFIPCNJT-LJQANCHMSA-N 2 0 312.461 3.507 50 0 DHAARP COCC[N@@H+](Cc1sccc1C)CC1CC[NH+](C(C)C)CC1 ZINC000055271101 563473704 /nfs/dbraw/zinc/47/37/04/563473704.db2.gz FVVQDULRHPWKOO-UHFFFAOYSA-N 2 0 324.534 3.625 50 0 DHAARP C[C@@H]1CC[N@H+](CCSc2ccccc2)C[C@H]1n1ccnc1 ZINC000247628923 563530499 /nfs/dbraw/zinc/53/04/99/563530499.db2.gz NRJWNEASDKXHSH-NVXWUHKLSA-N 2 0 301.459 3.558 50 0 DHAARP C[NH+](C)CC1CC[NH+](Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC000097635067 563540855 /nfs/dbraw/zinc/54/08/55/563540855.db2.gz CDZZFRCAKZQFEO-UHFFFAOYSA-N 2 0 318.358 3.618 50 0 DHAARP COc1ccc(CC[C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000032587003 563769474 /nfs/dbraw/zinc/76/94/74/563769474.db2.gz XQSUQPFXNUEHFW-HNNXBMFYSA-N 2 0 318.505 3.915 50 0 DHAARP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000089375355 563885806 /nfs/dbraw/zinc/88/58/06/563885806.db2.gz BVZYSOXWRMOXCQ-IAGOWNOFSA-N 2 0 306.881 3.831 50 0 DHAARP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCCCC[C@H]3CO)CC2)C1 ZINC000253370591 563924963 /nfs/dbraw/zinc/92/49/63/563924963.db2.gz SVLKZJVEULNRGK-LCLWPZTBSA-N 2 0 322.537 3.560 50 0 DHAARP c1ccc(CCN2CC[C@@H]([NH2+]CC3(c4ccccc4)CC3)C2)cc1 ZINC000078998909 563930150 /nfs/dbraw/zinc/93/01/50/563930150.db2.gz BQLJQGFSQWFRLY-OAQYLSRUSA-N 2 0 320.480 3.625 50 0 DHAARP COC(C)(C)C[C@H](C)[NH2+]C1CCN(Cc2ccccc2C)CC1 ZINC000095967338 563932938 /nfs/dbraw/zinc/93/29/38/563932938.db2.gz ACYKIMAWCDSNIC-KRWDZBQOSA-N 2 0 318.505 3.753 50 0 DHAARP CC(C)[N@H+](C)Cc1ccccc1CNC(=[NH2+])Nc1ccccc1 ZINC000057888027 563943195 /nfs/dbraw/zinc/94/31/95/563943195.db2.gz XKWHQRDXWOIZHX-UHFFFAOYSA-N 2 0 310.445 3.663 50 0 DHAARP