smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C[NH+]2CCC([C@H](C)N3CCOCC3)CC2)cc1C ZINC000072477351 191179706 /nfs/dbraw/zinc/17/97/06/191179706.db2.gz GVVRHUCJUXVFRN-SFHVURJKSA-N 1 3 316.489 3.236 50 0 DGAAHO CC(C)N(CC[NH2+]C1CCN(Cc2ccccc2)CC1)C(C)C ZINC000023424856 182360808 /nfs/dbraw/zinc/36/08/08/182360808.db2.gz RWFKZASBHCMIOG-UHFFFAOYSA-N 1 3 317.521 3.359 50 0 DGAAHO COc1ccc(/C=C/CN2CCC3(CC[N@H+](C)C3)CC2)cc1 ZINC000065420703 184341438 /nfs/dbraw/zinc/34/14/38/184341438.db2.gz IEVVJYMDNBRLFO-ONEGZZNKSA-N 1 3 300.446 3.126 50 0 DGAAHO COc1ccc(/C=C/CN2CCC3(CC[N@@H+](C)C3)CC2)cc1 ZINC000065420703 184341440 /nfs/dbraw/zinc/34/14/40/184341440.db2.gz IEVVJYMDNBRLFO-ONEGZZNKSA-N 1 3 300.446 3.126 50 0 DGAAHO C[C@@H](Cn1ccnc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000065490960 184353596 /nfs/dbraw/zinc/35/35/96/184353596.db2.gz OTODNLJYTVHCAL-KRWDZBQOSA-N 1 3 304.482 3.050 50 0 DGAAHO C[C@H](C1CCN(Cc2cnc(CC3CCCC3)[nH]2)CC1)[NH+](C)C ZINC000077407509 431591989 /nfs/dbraw/zinc/59/19/89/431591989.db2.gz DNVUZUFLTLBODW-OAHLLOKOSA-N 1 3 318.509 3.305 50 0 DGAAHO CC(C)(CN1CCCC1)C[NH+]1CCC(c2ccncc2)CC1 ZINC000215207572 432642079 /nfs/dbraw/zinc/64/20/79/432642079.db2.gz GSJSEBINXNFADG-UHFFFAOYSA-N 1 3 301.478 3.383 50 0 DGAAHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccsc1 ZINC000241326130 432815842 /nfs/dbraw/zinc/81/58/42/432815842.db2.gz LZMBKABBWSXSDN-RRQGHBQHSA-N 1 3 308.491 3.167 50 0 DGAAHO Fc1cccc(Cl)c1CCNC1CC[NH+](CC2CC2)CC1 ZINC000170064089 563903424 /nfs/dbraw/zinc/90/34/24/563903424.db2.gz LUTWDLGNGUXCBA-UHFFFAOYSA-N 1 3 310.844 3.486 50 0 DGAAHO COCC[NH+]1CCC(CN(C)c2ccnc3ccccc32)CC1 ZINC001529179626 1187539424 /nfs/dbraw/zinc/53/94/24/1187539424.db2.gz ZURDCJZKGOTXTG-UHFFFAOYSA-N 1 3 313.445 3.029 50 0 DGAAHO C[C@H](c1ccccc1Cl)N(C)CC1CC[NH+](CCO)CC1 ZINC000069628636 431206769 /nfs/dbraw/zinc/20/67/69/431206769.db2.gz JGRGHBXFVSCRNO-CQSZACIVSA-N 1 3 310.869 3.037 50 0 DGAAHO CCCCCC[C@@H]1NC(=N)NC(=[NH2+])N1c1ccc(Cl)cc1 ZINC000001666577 431237291 /nfs/dbraw/zinc/23/72/91/431237291.db2.gz PTYUSCVACAGDKF-CYBMUJFWSA-N 1 3 307.829 3.086 50 0 DGAAHO CN(C)Cc1csc(CN2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000077539603 431604513 /nfs/dbraw/zinc/60/45/13/431604513.db2.gz XAODGMVGPHRGLF-UHFFFAOYSA-N 1 3 321.534 3.260 50 0 DGAAHO CN(C)Cc1csc(CN2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000077539603 431604520 /nfs/dbraw/zinc/60/45/20/431604520.db2.gz XAODGMVGPHRGLF-UHFFFAOYSA-N 1 3 321.534 3.260 50 0 DGAAHO C[C@@H](C1CCN(Cc2cnc(CC3CCCC3)[nH]2)CC1)[NH+](C)C ZINC000077407508 431591863 /nfs/dbraw/zinc/59/18/63/431591863.db2.gz DNVUZUFLTLBODW-HNNXBMFYSA-N 1 3 318.509 3.305 50 0 DGAAHO CC(C)CC[C@H](C)[NH+]1CCC(Cn2cc(C(C)(C)N)nn2)CC1 ZINC000048330188 431923518 /nfs/dbraw/zinc/92/35/18/431923518.db2.gz GLLBJGWFLLFJFA-HNNXBMFYSA-N 1 3 321.513 3.009 50 0 DGAAHO CCC[NH+]1CCC(N2CCN(CCC3CCCC3)CC2)CC1 ZINC000096424229 431947485 /nfs/dbraw/zinc/94/74/85/431947485.db2.gz RFJLCXPOSLLNKS-UHFFFAOYSA-N 1 3 307.526 3.059 50 0 DGAAHO Cc1c2ccccc2oc1CN1CCC(OCC[NH+](C)C)CC1 ZINC000215947488 432646927 /nfs/dbraw/zinc/64/69/27/432646927.db2.gz OUQMAJMWVRSLQO-UHFFFAOYSA-N 1 3 316.445 3.284 50 0 DGAAHO CC(C)c1ccc(CCNC[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000236710060 432759088 /nfs/dbraw/zinc/75/90/88/432759088.db2.gz DZPKDICXQXQEMJ-HXUWFJFHSA-N 1 3 318.505 3.035 50 0 DGAAHO CC(C)n1ccnc1C1CC[NH+](C[C@H](C)N2CCCC2)CC1 ZINC000244787515 432823478 /nfs/dbraw/zinc/82/34/78/432823478.db2.gz PYLMJTMMLWIIDM-INIZCTEOSA-N 1 3 304.482 3.128 50 0 DGAAHO CCCCCC[C@H]1NC(=N)NC(=[NH2+])N1c1ccc(Cl)cc1 ZINC000004365424 400085188 /nfs/dbraw/zinc/08/51/88/400085188.db2.gz PTYUSCVACAGDKF-ZDUSSCGKSA-N 1 3 307.829 3.086 50 0 DGAAHO C[C@@H](C1CCN(Cc2cc3cc(F)ccc3n2C)CC1)[NH+](C)C ZINC000077303893 431582017 /nfs/dbraw/zinc/58/20/17/431582017.db2.gz PAJALXVWDFBPQY-AWEZNQCLSA-N 1 3 317.452 3.480 50 0 DGAAHO [NH3+]CC[C@@H]1CN(Cc2cccc3c4ccccc4oc32)CCO1 ZINC000097499480 431970415 /nfs/dbraw/zinc/97/04/15/431970415.db2.gz OBMIQKMNCLHHGS-OAHLLOKOSA-N 1 3 310.397 3.136 50 0 DGAAHO CCC[NH+]1CCC(NC[C@@H](c2sccc2C)N(C)C)CC1 ZINC000065407489 432011754 /nfs/dbraw/zinc/01/17/54/432011754.db2.gz VPZKISDHKXLLFE-INIZCTEOSA-N 1 3 309.523 3.123 50 0 DGAAHO CCCN1CCC([NH2+]C[C@@H](c2sccc2C)N(C)C)CC1 ZINC000065407489 432011757 /nfs/dbraw/zinc/01/17/57/432011757.db2.gz VPZKISDHKXLLFE-INIZCTEOSA-N 1 3 309.523 3.123 50 0 DGAAHO CC(C)CN1CCC([NH2+][C@H](Cn2ccnc2)C(C)(C)C)CC1 ZINC000067909238 432045043 /nfs/dbraw/zinc/04/50/43/432045043.db2.gz VCZDIIVJIBQOJY-QGZVFWFLSA-N 1 3 306.498 3.008 50 0 DGAAHO CCC[NH+]1CCC(N(C)CCc2ccc(OC)c(OC)c2)CC1 ZINC000004989517 400086280 /nfs/dbraw/zinc/08/62/80/400086280.db2.gz FQMOMXJPUYBVAU-UHFFFAOYSA-N 1 3 320.477 3.053 50 0 DGAAHO Cc1nc2ccccc2n1CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000863983397 621724249 /nfs/dbraw/zinc/72/42/49/621724249.db2.gz GXYVNIFXNCYTFK-ZNXRZULTSA-N 1 3 324.472 3.092 50 0 DGAAHO Cc1nc2ccccc2n1CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000863983397 621724252 /nfs/dbraw/zinc/72/42/52/621724252.db2.gz GXYVNIFXNCYTFK-ZNXRZULTSA-N 1 3 324.472 3.092 50 0 DGAAHO Cc1c2ccccc2oc1C[NH2+]CCCN1CCCC[C@H]1CO ZINC000952967990 662208944 /nfs/dbraw/zinc/20/89/44/662208944.db2.gz IURFHKSLLGIVDB-INIZCTEOSA-N 1 3 316.445 3.068 50 0 DGAAHO CC[C@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)N(C)CC ZINC000822554855 1091665398 /nfs/dbraw/zinc/66/53/98/1091665398.db2.gz TWWDBPBJXZRCLV-QGZVFWFLSA-N 1 3 323.525 3.022 50 0 DGAAHO Cc1nn(CCNC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1Cl ZINC000067677074 432034255 /nfs/dbraw/zinc/03/42/55/432034255.db2.gz FKJZFZAFESJFAT-UHFFFAOYSA-N 1 3 312.889 3.052 50 0 DGAAHO Cc1nn(CC[NH2+]C2CC(C)(C)NC(C)(C)C2)c(C)c1Cl ZINC000067677074 432034256 /nfs/dbraw/zinc/03/42/56/432034256.db2.gz FKJZFZAFESJFAT-UHFFFAOYSA-N 1 3 312.889 3.052 50 0 DGAAHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]C1CCN(CC(C)C)CC1 ZINC000240900711 286023938 /nfs/dbraw/zinc/02/39/38/286023938.db2.gz ITJCWURRUSXDIM-LPHOPBHVSA-N 1 3 304.478 3.473 50 0 DGAAHO CCCN1CCC([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC000000761399 431207464 /nfs/dbraw/zinc/20/74/64/431207464.db2.gz BPSOUKJVBLPLLC-UHFFFAOYSA-N 1 3 315.505 3.115 50 0 DGAAHO Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@@H](N)C3)CC2)cc1Cl ZINC000077303414 431580275 /nfs/dbraw/zinc/58/02/75/431580275.db2.gz QYCAPRRXWZLWSU-UKRRQHHQSA-N 1 3 307.869 3.087 50 0 DGAAHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(Cl)s1 ZINC000095968937 431929821 /nfs/dbraw/zinc/92/98/21/431929821.db2.gz ZHRSXMYECVGGOJ-GFCCVEGCSA-N 1 3 315.914 3.078 50 0 DGAAHO C[N@@H+]1CCCC[C@@H]1CC(=O)Nc1ccccc1CN1CCCC1 ZINC000828075224 1091804981 /nfs/dbraw/zinc/80/49/81/1091804981.db2.gz YVRILKIEKASAMZ-QGZVFWFLSA-N 1 3 315.461 3.095 50 0 DGAAHO C[N@H+]1CCCC[C@@H]1CC(=O)Nc1ccccc1CN1CCCC1 ZINC000828075224 1091804987 /nfs/dbraw/zinc/80/49/87/1091804987.db2.gz YVRILKIEKASAMZ-QGZVFWFLSA-N 1 3 315.461 3.095 50 0 DGAAHO CCOc1cccc2cc([C@@H](C)NCCOCC[NH+](C)C)oc21 ZINC000170606792 432073578 /nfs/dbraw/zinc/07/35/78/432073578.db2.gz NNLPQNFDHPERJN-CQSZACIVSA-N 1 3 320.433 3.060 50 0 DGAAHO CCCN1CCC([NH2+][C@H](Cn2ccnc2)c2ccccc2)CC1 ZINC000065387252 184333782 /nfs/dbraw/zinc/33/37/82/184333782.db2.gz KXIXCOVZWOJXOG-LJQANCHMSA-N 1 3 312.461 3.088 50 0 DGAAHO C[NH+](C)CC1(O)CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000585136339 400127481 /nfs/dbraw/zinc/12/74/81/400127481.db2.gz AYUDJRQXNQLILH-UHFFFAOYSA-N 1 3 322.452 3.145 50 0 DGAAHO C[C@@H](c1cccc(CN(C)Cc2ccc3nonc3c2)c1)[NH+](C)C ZINC000216390579 432650561 /nfs/dbraw/zinc/65/05/61/432650561.db2.gz AAYXVXJGFZYDKD-AWEZNQCLSA-N 1 3 324.428 3.477 50 0 DGAAHO CC(C)(c1ccccc1)c1ccc(OCCCNCC[NH3+])cc1 ZINC000022034477 655591298 /nfs/dbraw/zinc/59/12/98/655591298.db2.gz DYRNPICPQHIIDU-UHFFFAOYSA-N 1 3 312.457 3.330 50 0 DGAAHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccccn1 ZINC000092821581 185343848 /nfs/dbraw/zinc/34/38/48/185343848.db2.gz QLIFWUCXTZKBQQ-UHFFFAOYSA-N 1 3 310.445 3.215 50 0 DGAAHO CC(C)CN1CCC([NH2+]Cc2ccccc2-n2ccnc2)CC1 ZINC000067713835 432036557 /nfs/dbraw/zinc/03/65/57/432036557.db2.gz ZEFSLJDLVWNWNX-UHFFFAOYSA-N 1 3 312.461 3.082 50 0 DGAAHO CCOc1cccc2cc([C@H](C)NCCOCC[NH+](C)C)oc21 ZINC000170606793 432074073 /nfs/dbraw/zinc/07/40/73/432074073.db2.gz NNLPQNFDHPERJN-AWEZNQCLSA-N 1 3 320.433 3.060 50 0 DGAAHO c1c[nH]c(C[N@H+]2CC[C@@H](C3CCN(Cc4cccnc4)CC3)C2)c1 ZINC000169752316 400759762 /nfs/dbraw/zinc/75/97/62/400759762.db2.gz LNZGSYBLMWZGKY-LJQANCHMSA-N 1 3 324.472 3.144 50 0 DGAAHO c1c[nH]c(C[N@@H+]2CC[C@@H](C3CCN(Cc4cccnc4)CC3)C2)c1 ZINC000169752316 400759768 /nfs/dbraw/zinc/75/97/68/400759768.db2.gz LNZGSYBLMWZGKY-LJQANCHMSA-N 1 3 324.472 3.144 50 0 DGAAHO C[C@@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1)C1CCOCC1 ZINC000242273625 287013871 /nfs/dbraw/zinc/01/38/71/287013871.db2.gz YEMUAHPLJOHXTK-GPMSIDNRSA-N 1 3 308.510 3.434 50 0 DGAAHO Cc1nc2ccccc2nc1CN1CCC([C@@H](C)[NH+](C)C)CC1 ZINC000077485518 431600889 /nfs/dbraw/zinc/60/08/89/431600889.db2.gz JUNNCNKUEPGXMA-OAHLLOKOSA-N 1 3 312.461 3.100 50 0 DGAAHO COCC[N@H+](CC[C@@H]1CCCCN1C)Cc1ccccc1C ZINC000243885851 432819708 /nfs/dbraw/zinc/81/97/08/432819708.db2.gz ACVWLFVUSMMSGP-IBGZPJMESA-N 1 3 304.478 3.318 50 0 DGAAHO COCC[N@@H+](CC[C@@H]1CCCCN1C)Cc1ccccc1C ZINC000243885851 432819709 /nfs/dbraw/zinc/81/97/09/432819709.db2.gz ACVWLFVUSMMSGP-IBGZPJMESA-N 1 3 304.478 3.318 50 0 DGAAHO COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CC(N2CCCCC2)C1 ZINC000377562910 433914874 /nfs/dbraw/zinc/91/48/74/433914874.db2.gz LNMRQDNVRKAIEX-KVULBXGLSA-N 1 3 318.436 3.428 50 0 DGAAHO Cc1c[nH+]ccc1NCCNCc1[nH]c2ccccc2c1Cl ZINC000952981978 662210306 /nfs/dbraw/zinc/21/03/06/662210306.db2.gz XAENGHRYZIPLIE-UHFFFAOYSA-N 1 3 314.820 3.148 50 0 DGAAHO CC(C)CN1CCC([NH2+]Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000042207486 183243004 /nfs/dbraw/zinc/24/30/04/183243004.db2.gz BTHJPDSPMPFHLF-UHFFFAOYSA-N 1 3 312.461 3.287 50 0 DGAAHO C[C@@H](c1ccccc1Cl)N(C)CC1CC[NH+](CCO)CC1 ZINC000069628633 431207058 /nfs/dbraw/zinc/20/70/58/431207058.db2.gz JGRGHBXFVSCRNO-AWEZNQCLSA-N 1 3 310.869 3.037 50 0 DGAAHO Cc1ccc([C@@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)cc1F ZINC000192789766 432415485 /nfs/dbraw/zinc/41/54/85/432415485.db2.gz KVTNNAJZZCGNHG-QGZVFWFLSA-N 1 3 321.484 3.201 50 0 DGAAHO Cc1cc(N2CCN(Cc3cccc4cc[nH]c43)CC2)cc[nH+]1 ZINC000215422952 432642131 /nfs/dbraw/zinc/64/21/31/432642131.db2.gz KLBFMTACRDTAAK-UHFFFAOYSA-N 1 3 306.413 3.194 50 0 DGAAHO C[C@@]1(O)CCC[N@H+](Cc2cc(CN3CCCCC3)cs2)CC1 ZINC000216543731 432651511 /nfs/dbraw/zinc/65/15/11/432651511.db2.gz VCGJBBABIORHLF-GOSISDBHSA-N 1 3 322.518 3.471 50 0 DGAAHO C[C@@]1(O)CCC[N@@H+](Cc2cc(CN3CCCCC3)cs2)CC1 ZINC000216543731 432651514 /nfs/dbraw/zinc/65/15/14/432651514.db2.gz VCGJBBABIORHLF-GOSISDBHSA-N 1 3 322.518 3.471 50 0 DGAAHO COCC[N@H+](CC[C@H]1CCCCN1C)Cc1ccccc1C ZINC000243885853 432820176 /nfs/dbraw/zinc/82/01/76/432820176.db2.gz ACVWLFVUSMMSGP-LJQANCHMSA-N 1 3 304.478 3.318 50 0 DGAAHO COCC[N@@H+](CC[C@H]1CCCCN1C)Cc1ccccc1C ZINC000243885853 432820180 /nfs/dbraw/zinc/82/01/80/432820180.db2.gz ACVWLFVUSMMSGP-LJQANCHMSA-N 1 3 304.478 3.318 50 0 DGAAHO COCC[N@@H+]1CCC[C@]2(CCN(Cc3cc(C)cc(C)c3)C2)C1 ZINC000012468700 660611081 /nfs/dbraw/zinc/61/10/81/660611081.db2.gz XZWBQTYIFOBCPL-FQEVSTJZSA-N 1 3 316.489 3.238 50 0 DGAAHO COCC[N@H+]1CCC[C@]2(CCN(Cc3cc(C)cc(C)c3)C2)C1 ZINC000012468700 660611083 /nfs/dbraw/zinc/61/10/83/660611083.db2.gz XZWBQTYIFOBCPL-FQEVSTJZSA-N 1 3 316.489 3.238 50 0 DGAAHO Cc1cc(F)ccc1N1CCC([NH2+]CC[C@@H]2CCCN2C)CC1 ZINC001506418938 1186224959 /nfs/dbraw/zinc/22/49/59/1186224959.db2.gz KTMRIHYYNRKDBX-SFHVURJKSA-N 1 3 319.468 3.177 50 0 DGAAHO CC[C@H]1CN(Cc2cc(CN(C)C)cs2)CC[N@@H+]1C(C)C ZINC000072166123 191065436 /nfs/dbraw/zinc/06/54/36/191065436.db2.gz RYDFQPFWVPLKNT-INIZCTEOSA-N 1 3 309.523 3.114 50 0 DGAAHO CC[C@H]1CN(Cc2cc(CN(C)C)cs2)CC[N@H+]1C(C)C ZINC000072166123 191065438 /nfs/dbraw/zinc/06/54/38/191065438.db2.gz RYDFQPFWVPLKNT-INIZCTEOSA-N 1 3 309.523 3.114 50 0 DGAAHO [NH3+]CC[C@H]1CN(Cc2cccc3c4ccccc4oc32)CCO1 ZINC000097499481 431970496 /nfs/dbraw/zinc/97/04/96/431970496.db2.gz OBMIQKMNCLHHGS-HNNXBMFYSA-N 1 3 310.397 3.136 50 0 DGAAHO C[NH+]1CCC(C)(CNCc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000585118337 547025489 /nfs/dbraw/zinc/02/54/89/547025489.db2.gz KTTYXQVHANJAMA-UHFFFAOYSA-N 1 3 319.399 3.335 50 0 DGAAHO CCn1cncc1CN1CC[C@H](C2CC[NH+](CC(C)C)CC2)C1 ZINC000012314845 660528212 /nfs/dbraw/zinc/52/82/12/660528212.db2.gz ODFQBLMFLXZBLP-SFHVURJKSA-N 1 3 318.509 3.093 50 0 DGAAHO Cc1c2ccccc2oc1C[NH2+]CCCN1CCCC[C@@H]1CO ZINC000952967992 662208973 /nfs/dbraw/zinc/20/89/73/662208973.db2.gz IURFHKSLLGIVDB-MRXNPFEDSA-N 1 3 316.445 3.068 50 0 DGAAHO [NH3+]CCc1cccc(CN2CCC(OCc3ccccc3)CC2)c1 ZINC000072454135 191171723 /nfs/dbraw/zinc/17/17/23/191171723.db2.gz YOVRJKXLUSHSRL-UHFFFAOYSA-N 1 3 324.468 3.369 50 0 DGAAHO CCN1CCC[C@H](C[N@H+](C)Cc2ccc(-n3ccnc3)cc2)C1 ZINC000067458003 432031319 /nfs/dbraw/zinc/03/13/19/432031319.db2.gz XRIGDZOUGMEWIL-GOSISDBHSA-N 1 3 312.461 3.036 50 0 DGAAHO CCN1CCC[C@H](C[N@@H+](C)Cc2ccc(-n3ccnc3)cc2)C1 ZINC000067458003 432031321 /nfs/dbraw/zinc/03/13/21/432031321.db2.gz XRIGDZOUGMEWIL-GOSISDBHSA-N 1 3 312.461 3.036 50 0 DGAAHO CC(C)c1nnsc1CNC1CCC2(CC[NH2+]CC2)CC1 ZINC000067841231 432043093 /nfs/dbraw/zinc/04/30/93/432043093.db2.gz HYLQOHJWXWQORG-UHFFFAOYSA-N 1 3 308.495 3.064 50 0 DGAAHO CCOc1c(Cl)cc(Cl)cc1CNCC1CC[NH2+]CC1 ZINC000010434723 431460598 /nfs/dbraw/zinc/46/05/98/431460598.db2.gz XYPDZWNFEHZSQO-UHFFFAOYSA-N 1 3 317.260 3.481 50 0 DGAAHO CN1CCC[C@@H]1CC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000125144008 431915758 /nfs/dbraw/zinc/91/57/58/431915758.db2.gz CLHFTEAMBOZLGA-MRXNPFEDSA-N 1 3 312.461 3.227 50 0 DGAAHO C[N@@H+]1CCC[C@@H]1CCN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000125144008 431915761 /nfs/dbraw/zinc/91/57/61/431915761.db2.gz CLHFTEAMBOZLGA-MRXNPFEDSA-N 1 3 312.461 3.227 50 0 DGAAHO C[N@H+]1CCC[C@@H]1CCN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000125144008 431915763 /nfs/dbraw/zinc/91/57/63/431915763.db2.gz CLHFTEAMBOZLGA-MRXNPFEDSA-N 1 3 312.461 3.227 50 0 DGAAHO C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@@H](O)c1ccc(F)cc1 ZINC000095968092 431928923 /nfs/dbraw/zinc/92/89/23/431928923.db2.gz ULCJAOGYZDLYKO-AUUYWEPGSA-N 1 3 320.452 3.244 50 0 DGAAHO CN1CCC2(CC1)C[N@@H+](C1CCCC1)Cc1ccccc1O2 ZINC000257193377 432415987 /nfs/dbraw/zinc/41/59/87/432415987.db2.gz YHXJAKSVQKMUOF-UHFFFAOYSA-N 1 3 300.446 3.288 50 0 DGAAHO CN1CCC2(CC1)C[N@H+](C1CCCC1)Cc1ccccc1O2 ZINC000257193377 432415989 /nfs/dbraw/zinc/41/59/89/432415989.db2.gz YHXJAKSVQKMUOF-UHFFFAOYSA-N 1 3 300.446 3.288 50 0 DGAAHO CC[N@H+](CCOC)CC1CCN(Cc2ccccc2F)CC1 ZINC000012760451 660517130 /nfs/dbraw/zinc/51/71/30/660517130.db2.gz CBCWZTMZJLRKGM-UHFFFAOYSA-N 1 3 308.441 3.006 50 0 DGAAHO CC[N@@H+](CCOC)CC1CCN(Cc2ccccc2F)CC1 ZINC000012760451 660517132 /nfs/dbraw/zinc/51/71/32/660517132.db2.gz CBCWZTMZJLRKGM-UHFFFAOYSA-N 1 3 308.441 3.006 50 0 DGAAHO CC[C@@H]1C=CCN1Cc1ccc(OC)c(C[NH+]2CCCC2)c1 ZINC000952873905 1096784211 /nfs/dbraw/zinc/78/42/11/1096784211.db2.gz QAVBJJVXYMASBJ-GOSISDBHSA-N 1 3 300.446 3.441 50 0 DGAAHO CC(C)COC[C@H](NC1CCC([NH+](C)C)CC1)c1ccco1 ZINC000225632896 186285125 /nfs/dbraw/zinc/28/51/25/186285125.db2.gz LLHWNPGQYWUNNJ-JCYILVPMSA-N 1 3 308.466 3.456 50 0 DGAAHO CCCCc1nc(CN2CCCC3(CC[NH2+]CC3)CC2)c[nH]1 ZINC000067755523 432039883 /nfs/dbraw/zinc/03/98/83/432039883.db2.gz VICGAAGOWHHBKT-UHFFFAOYSA-N 1 3 304.482 3.108 50 0 DGAAHO CCCCc1ncc(CN2CCCC3(CC[NH2+]CC3)CC2)[nH]1 ZINC000067755523 432039887 /nfs/dbraw/zinc/03/98/87/432039887.db2.gz VICGAAGOWHHBKT-UHFFFAOYSA-N 1 3 304.482 3.108 50 0 DGAAHO CN(CCC[NH+](C)C)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000022852358 182338108 /nfs/dbraw/zinc/33/81/08/182338108.db2.gz BXYLGBCKDSZXHF-KRWDZBQOSA-N 1 3 323.912 3.188 50 0 DGAAHO CN(C)CCC[N@H+](C)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000022852358 182338110 /nfs/dbraw/zinc/33/81/10/182338110.db2.gz BXYLGBCKDSZXHF-KRWDZBQOSA-N 1 3 323.912 3.188 50 0 DGAAHO CN(C)CCC[N@@H+](C)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000022852358 182338111 /nfs/dbraw/zinc/33/81/11/182338111.db2.gz BXYLGBCKDSZXHF-KRWDZBQOSA-N 1 3 323.912 3.188 50 0 DGAAHO C[NH+](C)C[C@@]1(O)CCN(Cc2cccc3c4ccccc4oc32)C1 ZINC000216491761 257273628 /nfs/dbraw/zinc/27/36/28/257273628.db2.gz OQPCGUZSCDNXKK-FQEVSTJZSA-N 1 3 324.424 3.084 50 0 DGAAHO C[C@@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1)C1CCOCC1 ZINC000242273626 287013811 /nfs/dbraw/zinc/01/38/11/287013811.db2.gz YEMUAHPLJOHXTK-MDZRGWNJSA-N 1 3 308.510 3.434 50 0 DGAAHO Fc1ccc(CC[NH+]2CCC(NCCC(F)(F)F)CC2)cc1 ZINC000195541231 432627279 /nfs/dbraw/zinc/62/72/79/432627279.db2.gz MUVQJLKKSUSKRM-UHFFFAOYSA-N 1 3 318.358 3.375 50 0 DGAAHO CN(Cc1cccc(OCC[NH3+])c1)Cc1cccc2cccnc21 ZINC000299780247 433382647 /nfs/dbraw/zinc/38/26/47/433382647.db2.gz MRJMUKCVUQAAKS-UHFFFAOYSA-N 1 3 321.424 3.204 50 0 DGAAHO C[N@@H+](Cc1cc(CN2CCCCC2)cs1)C[C@H]1CCOC1 ZINC000823719841 1091698571 /nfs/dbraw/zinc/69/85/71/1091698571.db2.gz OBANPNBQUOICRC-OAHLLOKOSA-N 1 3 308.491 3.202 50 0 DGAAHO C[N@H+](Cc1cc(CN2CCCCC2)cs1)C[C@H]1CCOC1 ZINC000823719841 1091698578 /nfs/dbraw/zinc/69/85/78/1091698578.db2.gz OBANPNBQUOICRC-OAHLLOKOSA-N 1 3 308.491 3.202 50 0 DGAAHO Cc1ncsc1CCN(C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072128401 191043091 /nfs/dbraw/zinc/04/30/91/191043091.db2.gz CGNSMTOFBISCQN-JKSUJKDBSA-N 1 3 307.507 3.190 50 0 DGAAHO Cc1ncsc1CCN(C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000072128401 191043094 /nfs/dbraw/zinc/04/30/94/191043094.db2.gz CGNSMTOFBISCQN-JKSUJKDBSA-N 1 3 307.507 3.190 50 0 DGAAHO CN(CCOc1ccccc1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072147415 191052350 /nfs/dbraw/zinc/05/23/50/191052350.db2.gz WAIXJUVAJLKNPN-PKOBYXMFSA-N 1 3 302.462 3.262 50 0 DGAAHO CN(CCOc1ccccc1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000072147415 191052353 /nfs/dbraw/zinc/05/23/53/191052353.db2.gz WAIXJUVAJLKNPN-PKOBYXMFSA-N 1 3 302.462 3.262 50 0 DGAAHO C[C@@H](NC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1 ZINC000192863058 400916754 /nfs/dbraw/zinc/91/67/54/400916754.db2.gz BDUHUYJFDGQVPD-BPIHKTFHSA-N 1 3 315.505 3.331 50 0 DGAAHO C[N@H+](C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000014953306 431597391 /nfs/dbraw/zinc/59/73/91/431597391.db2.gz GZMIHZPOQSURDU-GOSISDBHSA-N 1 3 320.452 3.149 50 0 DGAAHO C[N@@H+](C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000014953306 431597397 /nfs/dbraw/zinc/59/73/97/431597397.db2.gz GZMIHZPOQSURDU-GOSISDBHSA-N 1 3 320.452 3.149 50 0 DGAAHO COCCN(Cc1ccccc1F)CC1CC[NH+](C(C)C)CC1 ZINC000055183289 431978089 /nfs/dbraw/zinc/97/80/89/431978089.db2.gz FARIFPSLWOPXBS-UHFFFAOYSA-N 1 3 322.468 3.395 50 0 DGAAHO CCCN1CCC([NH2+]Cc2ccc(Br)cc2)CC1 ZINC000055291862 431979217 /nfs/dbraw/zinc/97/92/17/431979217.db2.gz FKKZXHRWSGYQIQ-UHFFFAOYSA-N 1 3 311.267 3.413 50 0 DGAAHO C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@H](O)c1ccc(F)cc1 ZINC000095968090 431929174 /nfs/dbraw/zinc/92/91/74/431929174.db2.gz ULCJAOGYZDLYKO-KUHUBIRLSA-N 1 3 320.452 3.244 50 0 DGAAHO COc1ccccc1C1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000244646908 432821815 /nfs/dbraw/zinc/82/18/15/432821815.db2.gz GRMCCWJHLHSGEB-QGZVFWFLSA-N 1 3 302.462 3.359 50 0 DGAAHO CC[N@@H+]1CC[C@@H](CN(C)Cc2cc(CN3CCCC3)cs2)C1 ZINC000215045390 546261256 /nfs/dbraw/zinc/26/12/56/546261256.db2.gz DIFIFRBCTZBKRC-INIZCTEOSA-N 1 3 321.534 3.118 50 0 DGAAHO CC[N@H+]1CC[C@@H](CN(C)Cc2cc(CN3CCCC3)cs2)C1 ZINC000215045390 546261259 /nfs/dbraw/zinc/26/12/59/546261259.db2.gz DIFIFRBCTZBKRC-INIZCTEOSA-N 1 3 321.534 3.118 50 0 DGAAHO COCCN1CCC[C@@]2(CC[N@H+](C/C(C)=C/c3ccco3)C2)C1 ZINC000012073754 660495285 /nfs/dbraw/zinc/49/52/85/660495285.db2.gz WQNJPFGVFFUXFW-XEYRCQSKSA-N 1 3 318.461 3.117 50 0 DGAAHO COCCN1CCC[C@@]2(CC[N@@H+](C/C(C)=C/c3ccco3)C2)C1 ZINC000012073754 660495287 /nfs/dbraw/zinc/49/52/87/660495287.db2.gz WQNJPFGVFFUXFW-XEYRCQSKSA-N 1 3 318.461 3.117 50 0 DGAAHO COc1ccc2oc(C[NH2+]C[C@@H]3CCN(C4CC4)C3)cc2c1 ZINC000095448614 185368495 /nfs/dbraw/zinc/36/84/95/185368495.db2.gz JIWPVOXHDVPXNG-ZDUSSCGKSA-N 1 3 300.402 3.015 50 0 DGAAHO c1[nH]nc(-c2ccccc2)c1CN1CCCC2(CC[NH2+]CC2)CC1 ZINC000067868192 432044239 /nfs/dbraw/zinc/04/42/39/432044239.db2.gz XPCONSRYUBDIPE-UHFFFAOYSA-N 1 3 324.472 3.432 50 0 DGAAHO CN(CCC[NH+](C)C)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000022852356 182338025 /nfs/dbraw/zinc/33/80/25/182338025.db2.gz BXYLGBCKDSZXHF-QGZVFWFLSA-N 1 3 323.912 3.188 50 0 DGAAHO CN(C)CCC[N@H+](C)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000022852356 182338026 /nfs/dbraw/zinc/33/80/26/182338026.db2.gz BXYLGBCKDSZXHF-QGZVFWFLSA-N 1 3 323.912 3.188 50 0 DGAAHO CN(C)CCC[N@@H+](C)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000022852356 182338027 /nfs/dbraw/zinc/33/80/27/182338027.db2.gz BXYLGBCKDSZXHF-QGZVFWFLSA-N 1 3 323.912 3.188 50 0 DGAAHO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2cccnc2)CC1 ZINC000057844202 184056918 /nfs/dbraw/zinc/05/69/18/184056918.db2.gz XGRULYCFGXTQOZ-UHFFFAOYSA-N 1 3 309.457 3.426 50 0 DGAAHO C[N@H+](Cc1ccccc1)CC1CCN(Cc2cccnc2)CC1 ZINC000057844202 184056919 /nfs/dbraw/zinc/05/69/19/184056919.db2.gz XGRULYCFGXTQOZ-UHFFFAOYSA-N 1 3 309.457 3.426 50 0 DGAAHO c1c[nH]c(C[N@H+]2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)c1 ZINC000169752317 400759913 /nfs/dbraw/zinc/75/99/13/400759913.db2.gz LNZGSYBLMWZGKY-IBGZPJMESA-N 1 3 324.472 3.144 50 0 DGAAHO c1c[nH]c(C[N@@H+]2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)c1 ZINC000169752317 400759916 /nfs/dbraw/zinc/75/99/16/400759916.db2.gz LNZGSYBLMWZGKY-IBGZPJMESA-N 1 3 324.472 3.144 50 0 DGAAHO CC(C)n1ccnc1C1CC[NH+](C[C@@H](C)N2CCCC2)CC1 ZINC000244787516 276085757 /nfs/dbraw/zinc/08/57/57/276085757.db2.gz PYLMJTMMLWIIDM-MRXNPFEDSA-N 1 3 304.482 3.128 50 0 DGAAHO CC(C)[NH+]1CCC(N[C@H]2CCN(C)[C@@H]2c2ccc(F)cc2)CC1 ZINC000097082162 431959342 /nfs/dbraw/zinc/95/93/42/431959342.db2.gz MPZYUJICJIIXGD-RBUKOAKNSA-N 1 3 319.468 3.033 50 0 DGAAHO CC(C)N1CCC([NH2+][C@H]2CCN(C)[C@@H]2c2ccc(F)cc2)CC1 ZINC000097082162 431959343 /nfs/dbraw/zinc/95/93/43/431959343.db2.gz MPZYUJICJIIXGD-RBUKOAKNSA-N 1 3 319.468 3.033 50 0 DGAAHO C[C@H](c1ccc(CN(C)CCC2(O)CCCC2)cc1)[NH+](C)C ZINC000216353312 432650694 /nfs/dbraw/zinc/65/06/94/432650694.db2.gz UVKITCUTIORQSD-MRXNPFEDSA-N 1 3 304.478 3.436 50 0 DGAAHO CSCCN1CCN(c2cc[nH+]c3c(C)c(C)ccc23)CC1 ZINC001772700714 1176670485 /nfs/dbraw/zinc/67/04/85/1176670485.db2.gz GRJOAWVDYXUTSW-UHFFFAOYSA-N 1 3 315.486 3.337 50 0 DGAAHO CC[N@H+](CCC1CCN(Cc2cnn(C)c2)CC1)CC(C)C ZINC000095459570 185370726 /nfs/dbraw/zinc/37/07/26/185370726.db2.gz CYBNZUQBSAKDDS-UHFFFAOYSA-N 1 3 306.498 3.000 50 0 DGAAHO CC[N@@H+](CCC1CCN(Cc2cnn(C)c2)CC1)CC(C)C ZINC000095459570 185370727 /nfs/dbraw/zinc/37/07/27/185370727.db2.gz CYBNZUQBSAKDDS-UHFFFAOYSA-N 1 3 306.498 3.000 50 0 DGAAHO C[C@H](Cn1ccnc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000065490963 184353922 /nfs/dbraw/zinc/35/39/22/184353922.db2.gz OTODNLJYTVHCAL-QGZVFWFLSA-N 1 3 304.482 3.050 50 0 DGAAHO Fc1ccccc1CN1CCC(C[NH2+]Cc2cccnc2)CC1 ZINC000071885902 431307825 /nfs/dbraw/zinc/30/78/25/431307825.db2.gz MYBIOWNHFKYMHJ-UHFFFAOYSA-N 1 3 313.420 3.223 50 0 DGAAHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1)C1CCOCC1 ZINC000095969363 431929760 /nfs/dbraw/zinc/92/97/60/431929760.db2.gz YEMUAHPLJOHXTK-GJYPPUQNSA-N 1 3 308.510 3.434 50 0 DGAAHO C[N@H+](Cc1ccccc1)C1CCN(C[C@@H]2CCCOC2)CC1 ZINC000252499259 432379449 /nfs/dbraw/zinc/37/94/49/432379449.db2.gz RXXZBGSZKHUWKQ-SFHVURJKSA-N 1 3 302.462 3.009 50 0 DGAAHO C[N@@H+](Cc1ccccc1)C1CCN(C[C@@H]2CCCOC2)CC1 ZINC000252499259 432379452 /nfs/dbraw/zinc/37/94/52/432379452.db2.gz RXXZBGSZKHUWKQ-SFHVURJKSA-N 1 3 302.462 3.009 50 0 DGAAHO COCC[N@@H+]1CCC[C@H](CNCc2ccc(Cl)cc2C)C1 ZINC000952967207 660445292 /nfs/dbraw/zinc/44/52/92/660445292.db2.gz ZIWVSCPILXVFEU-OAHLLOKOSA-N 1 3 310.869 3.096 50 0 DGAAHO COCC[N@H+]1CCC[C@H](CNCc2ccc(Cl)cc2C)C1 ZINC000952967207 660445293 /nfs/dbraw/zinc/44/52/93/660445293.db2.gz ZIWVSCPILXVFEU-OAHLLOKOSA-N 1 3 310.869 3.096 50 0 DGAAHO [NH2+]=C1Nc2ccccc2CN1C1CCN(Cc2ccccc2)CC1 ZINC000095093616 431921924 /nfs/dbraw/zinc/92/19/24/431921924.db2.gz XNNFBBLTVHCALP-UHFFFAOYSA-N 1 3 320.440 3.113 50 0 DGAAHO CN(C)CCOc1ccccc1C[N@H+](C)[C@H]1CCOC(C)(C)C1 ZINC000216284314 432649587 /nfs/dbraw/zinc/64/95/87/432649587.db2.gz LNYWMBGQPOCFAT-KRWDZBQOSA-N 1 3 320.477 3.016 50 0 DGAAHO CN(C)CCOc1ccccc1C[N@@H+](C)[C@H]1CCOC(C)(C)C1 ZINC000216284314 432649590 /nfs/dbraw/zinc/64/95/90/432649590.db2.gz LNYWMBGQPOCFAT-KRWDZBQOSA-N 1 3 320.477 3.016 50 0 DGAAHO Cc1cnccc1N1CCC[N@H+](C[C@H]2CCOC(C)(C)C2)CC1 ZINC000244685556 432822261 /nfs/dbraw/zinc/82/22/61/432822261.db2.gz ISGNZFQMCNUICL-KRWDZBQOSA-N 1 3 317.477 3.107 50 0 DGAAHO Cc1cnccc1N1CCC[N@@H+](C[C@H]2CCOC(C)(C)C2)CC1 ZINC000244685556 432822265 /nfs/dbraw/zinc/82/22/65/432822265.db2.gz ISGNZFQMCNUICL-KRWDZBQOSA-N 1 3 317.477 3.107 50 0 DGAAHO Cc1n[nH]c(CNCC2CC[NH+](C3CCCC3)CC2)c1Cl ZINC000952985287 662210189 /nfs/dbraw/zinc/21/01/89/662210189.db2.gz AFWBZOJNEMLPIS-UHFFFAOYSA-N 1 3 310.873 3.116 50 0 DGAAHO OC1CCN(Cc2ccccc2C[NH2+]C[C@H]2CC=CCC2)CC1 ZINC000095434088 185364028 /nfs/dbraw/zinc/36/40/28/185364028.db2.gz VSVDOBISZYHOQD-KRWDZBQOSA-N 1 3 314.473 3.089 50 0 DGAAHO CC[C@@H]1CN(Cc2cc(CN(C)C)cs2)CC[N@@H+]1C(C)C ZINC000072166122 191065700 /nfs/dbraw/zinc/06/57/00/191065700.db2.gz RYDFQPFWVPLKNT-MRXNPFEDSA-N 1 3 309.523 3.114 50 0 DGAAHO CC[C@@H]1CN(Cc2cc(CN(C)C)cs2)CC[N@H+]1C(C)C ZINC000072166122 191065702 /nfs/dbraw/zinc/06/57/02/191065702.db2.gz RYDFQPFWVPLKNT-MRXNPFEDSA-N 1 3 309.523 3.114 50 0 DGAAHO CN(C)[C@@H]1CCC[N@H+](Cc2ccc(CCC(C)(C)O)cc2)CC1 ZINC000072473570 191176296 /nfs/dbraw/zinc/17/62/96/191176296.db2.gz OXBNYMVRSXFGDO-LJQANCHMSA-N 1 3 318.505 3.306 50 0 DGAAHO CN(C)[C@@H]1CCC[N@@H+](Cc2ccc(CCC(C)(C)O)cc2)CC1 ZINC000072473570 191176299 /nfs/dbraw/zinc/17/62/99/191176299.db2.gz OXBNYMVRSXFGDO-LJQANCHMSA-N 1 3 318.505 3.306 50 0 DGAAHO CCCc1cc(CN(C)C2CCC3(CC[NH2+]CC3)CC2)[nH]n1 ZINC000067856576 432043871 /nfs/dbraw/zinc/04/38/71/432043871.db2.gz KCHMIKJIAWDXQX-UHFFFAOYSA-N 1 3 304.482 3.106 50 0 DGAAHO CCCc1cc(CN(C)C2CCC3(CC[NH2+]CC3)CC2)n[nH]1 ZINC000067856576 432043873 /nfs/dbraw/zinc/04/38/73/432043873.db2.gz KCHMIKJIAWDXQX-UHFFFAOYSA-N 1 3 304.482 3.106 50 0 DGAAHO CC(C)(C)c1cc(CN2CCCC3(CC[NH2+]CC3)CC2)[nH]n1 ZINC000067872251 432045732 /nfs/dbraw/zinc/04/57/32/432045732.db2.gz FBRKNELMCFHXBR-UHFFFAOYSA-N 1 3 304.482 3.063 50 0 DGAAHO CC(C)CC[C@@H](C)[NH+]1CCC(Cn2cc(C(C)(C)N)nn2)CC1 ZINC000048330185 183645443 /nfs/dbraw/zinc/64/54/43/183645443.db2.gz GLLBJGWFLLFJFA-OAHLLOKOSA-N 1 3 321.513 3.009 50 0 DGAAHO CCN1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000071819611 431293742 /nfs/dbraw/zinc/29/37/42/431293742.db2.gz CEZHOGHKTCCWLH-CYBMUJFWSA-N 1 3 318.852 3.162 50 0 DGAAHO COC[C@H](C)NCc1ccc(-c2cccc3c2CC[NH2+]C3)cc1 ZINC000072149636 431331596 /nfs/dbraw/zinc/33/15/96/431331596.db2.gz YZHJESZHVHXJCB-HNNXBMFYSA-N 1 3 310.441 3.124 50 0 DGAAHO Fc1ccccc1CN1CCC(C[NH2+][C@@H]2CCSC2)CC1 ZINC000096477298 431952768 /nfs/dbraw/zinc/95/27/68/431952768.db2.gz WBRVCGSCRMTEAW-MRXNPFEDSA-N 1 3 308.466 3.133 50 0 DGAAHO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]C1CCN(CC(C)C)CC1 ZINC000240900712 432815757 /nfs/dbraw/zinc/81/57/57/432815757.db2.gz ITJCWURRUSXDIM-QFBILLFUSA-N 1 3 304.478 3.473 50 0 DGAAHO OC1CCN(Cc2ccccc2C[NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000095434089 185364089 /nfs/dbraw/zinc/36/40/89/185364089.db2.gz VSVDOBISZYHOQD-QGZVFWFLSA-N 1 3 314.473 3.089 50 0 DGAAHO CCCN1CCC([NH2+][C@@H](Cn2ccnc2)c2ccccc2)CC1 ZINC000065387251 184334049 /nfs/dbraw/zinc/33/40/49/184334049.db2.gz KXIXCOVZWOJXOG-IBGZPJMESA-N 1 3 312.461 3.088 50 0 DGAAHO C[NH+](C)C[C@]1(O)CCN(Cc2cccc3c4ccccc4oc32)C1 ZINC000216491714 257273241 /nfs/dbraw/zinc/27/32/41/257273241.db2.gz OQPCGUZSCDNXKK-HXUWFJFHSA-N 1 3 324.424 3.084 50 0 DGAAHO CC(C)c1ccc(CCNC[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000236707021 262521222 /nfs/dbraw/zinc/52/12/22/262521222.db2.gz DZPKDICXQXQEMJ-FQEVSTJZSA-N 1 3 318.505 3.035 50 0 DGAAHO CCN1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000071819612 431292503 /nfs/dbraw/zinc/29/25/03/431292503.db2.gz CEZHOGHKTCCWLH-ZDUSSCGKSA-N 1 3 318.852 3.162 50 0 DGAAHO C[NH+](C)C[C@@]1(O)CCCN(Cc2ccccc2-c2ccccc2)C1 ZINC000072162379 431332291 /nfs/dbraw/zinc/33/22/91/431332291.db2.gz LLUFWWCCYODJOB-NRFANRHFSA-N 1 3 324.468 3.242 50 0 DGAAHO C[C@H](C1CCN(Cc2cc3cc(F)ccc3n2C)CC1)[NH+](C)C ZINC000077303896 431580653 /nfs/dbraw/zinc/58/06/53/431580653.db2.gz PAJALXVWDFBPQY-CQSZACIVSA-N 1 3 317.452 3.480 50 0 DGAAHO C[NH2+]CC1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000097229030 431965053 /nfs/dbraw/zinc/96/50/53/431965053.db2.gz SAPXPJVOYVHOHK-UHFFFAOYSA-N 1 3 316.367 3.059 50 0 DGAAHO CCN1CCC2(CC1)C[N@@H+](C1CCC1)Cc1ccccc1O2 ZINC000257186873 432416826 /nfs/dbraw/zinc/41/68/26/432416826.db2.gz KVWYPDKZUBZBFG-UHFFFAOYSA-N 1 3 300.446 3.288 50 0 DGAAHO CCN1CCC2(CC1)C[N@H+](C1CCC1)Cc1ccccc1O2 ZINC000257186873 432416828 /nfs/dbraw/zinc/41/68/28/432416828.db2.gz KVWYPDKZUBZBFG-UHFFFAOYSA-N 1 3 300.446 3.288 50 0 DGAAHO COc1ccc2c(c1)C[C@@H]([NH2+]CC1(CN3CCCC3)CC1)CC2 ZINC000534655002 334313363 /nfs/dbraw/zinc/31/33/63/334313363.db2.gz SLWOQKKUGBOEFR-SFHVURJKSA-N 1 3 314.473 3.018 50 0 DGAAHO COCCN1CCC[C@]2(CC[N@H+](C/C(C)=C/c3ccco3)C2)C1 ZINC000012073756 660495256 /nfs/dbraw/zinc/49/52/56/660495256.db2.gz WQNJPFGVFFUXFW-UMEYKSNOSA-N 1 3 318.461 3.117 50 0 DGAAHO COCCN1CCC[C@]2(CC[N@@H+](C/C(C)=C/c3ccco3)C2)C1 ZINC000012073756 660495259 /nfs/dbraw/zinc/49/52/59/660495259.db2.gz WQNJPFGVFFUXFW-UMEYKSNOSA-N 1 3 318.461 3.117 50 0 DGAAHO CC(C)COC[C@@H](NC1CCC([NH+](C)C)CC1)c1ccco1 ZINC000225632926 186284915 /nfs/dbraw/zinc/28/49/15/186284915.db2.gz LLHWNPGQYWUNNJ-OFLPRAFFSA-N 1 3 308.466 3.456 50 0 DGAAHO C[NH+](C)Cc1cccc(CCNCc2ccc(F)cc2F)c1 ZINC000076017859 400627483 /nfs/dbraw/zinc/62/74/83/400627483.db2.gz SRYGSHBKNNQBOK-UHFFFAOYSA-N 1 3 304.384 3.359 50 0 DGAAHO CC(C)(O)C1CCN(Cc2ccc(C[NH+]3CCCC3)s2)CC1 ZINC000215483254 432642776 /nfs/dbraw/zinc/64/27/76/432642776.db2.gz GNABFLRWXFESSW-UHFFFAOYSA-N 1 3 322.518 3.327 50 0 DGAAHO Cc1cc(F)ccc1N1CCC([NH2+]CC[C@H]2CCCN2C)CC1 ZINC001506418936 1186225442 /nfs/dbraw/zinc/22/54/42/1186225442.db2.gz KTMRIHYYNRKDBX-GOSISDBHSA-N 1 3 319.468 3.177 50 0 DGAAHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC000191381025 432258278 /nfs/dbraw/zinc/25/82/78/432258278.db2.gz XPGFWNIDSBAJMD-HXUWFJFHSA-N 1 3 315.505 3.240 50 0 DGAAHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC000191381025 432258281 /nfs/dbraw/zinc/25/82/81/432258281.db2.gz XPGFWNIDSBAJMD-HXUWFJFHSA-N 1 3 315.505 3.240 50 0 DGAAHO CC(C)[NH+]1CCC(N[C@H]2CCN(C)[C@H]2c2ccc(F)cc2)CC1 ZINC000108495531 431147340 /nfs/dbraw/zinc/14/73/40/431147340.db2.gz MPZYUJICJIIXGD-OALUTQOASA-N 1 3 319.468 3.033 50 0 DGAAHO CC(C)N1CCC([NH2+][C@H]2CCN(C)[C@H]2c2ccc(F)cc2)CC1 ZINC000108495531 431147344 /nfs/dbraw/zinc/14/73/44/431147344.db2.gz MPZYUJICJIIXGD-OALUTQOASA-N 1 3 319.468 3.033 50 0 DGAAHO C[N@H+](C[C@@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000014953301 431597477 /nfs/dbraw/zinc/59/74/77/431597477.db2.gz GZMIHZPOQSURDU-SFHVURJKSA-N 1 3 320.452 3.149 50 0 DGAAHO C[N@@H+](C[C@@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000014953301 431597482 /nfs/dbraw/zinc/59/74/82/431597482.db2.gz GZMIHZPOQSURDU-SFHVURJKSA-N 1 3 320.452 3.149 50 0 DGAAHO CC(C)C[C@@H](C)C[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000290501374 433070493 /nfs/dbraw/zinc/07/04/93/433070493.db2.gz WOCZUTYSHIKFQH-QGZVFWFLSA-N 1 3 318.505 3.415 50 0 DGAAHO Cc1nc(CNCCC2CC[NH+](C3CCCC3)CC2)n(C)c1C ZINC000952987830 660446661 /nfs/dbraw/zinc/44/66/61/660446661.db2.gz OJYKMJQJXWTNHW-UHFFFAOYSA-N 1 3 318.509 3.171 50 0 DGAAHO COCC[N@@H+]1CCC[C@@]2(CCN(Cc3cc(C)cc(C)c3)C2)C1 ZINC000012468697 660611120 /nfs/dbraw/zinc/61/11/20/660611120.db2.gz XZWBQTYIFOBCPL-HXUWFJFHSA-N 1 3 316.489 3.238 50 0 DGAAHO COCC[N@H+]1CCC[C@@]2(CCN(Cc3cc(C)cc(C)c3)C2)C1 ZINC000012468697 660611121 /nfs/dbraw/zinc/61/11/21/660611121.db2.gz XZWBQTYIFOBCPL-HXUWFJFHSA-N 1 3 316.489 3.238 50 0 DGAAHO COc1ccc2oc(C[NH2+]C[C@H]3CCN(C4CC4)C3)cc2c1 ZINC000095448615 185368582 /nfs/dbraw/zinc/36/85/82/185368582.db2.gz JIWPVOXHDVPXNG-CYBMUJFWSA-N 1 3 300.402 3.015 50 0 DGAAHO Cc1ccc(C[NH+]2CCC([C@@H](C)N3CCOCC3)CC2)cc1C ZINC000072477350 191179100 /nfs/dbraw/zinc/17/91/00/191179100.db2.gz GVVRHUCJUXVFRN-GOSISDBHSA-N 1 3 316.489 3.236 50 0 DGAAHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccnc(N)c2)CC1 ZINC000193398911 201045834 /nfs/dbraw/zinc/04/58/34/201045834.db2.gz OBTWTYVNSULZTL-MRXNPFEDSA-N 1 3 316.493 3.140 50 0 DGAAHO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2ccnc(N)c2)CC1 ZINC000193398911 201045838 /nfs/dbraw/zinc/04/58/38/201045838.db2.gz OBTWTYVNSULZTL-MRXNPFEDSA-N 1 3 316.493 3.140 50 0 DGAAHO COC[C@@H](C)NCc1ccc(-c2cccc3c2CC[NH2+]C3)cc1 ZINC000072149637 431331223 /nfs/dbraw/zinc/33/12/23/431331223.db2.gz YZHJESZHVHXJCB-OAHLLOKOSA-N 1 3 310.441 3.124 50 0 DGAAHO Clc1cccc2ccc(CN3CCC4(C3)CC[NH2+]CC4)nc12 ZINC000097594809 431971601 /nfs/dbraw/zinc/97/16/01/431971601.db2.gz FIIUONSCCPFUNY-UHFFFAOYSA-N 1 3 315.848 3.464 50 0 DGAAHO Cc1ccc([C@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)cc1F ZINC000192789780 432414199 /nfs/dbraw/zinc/41/41/99/432414199.db2.gz KVTNNAJZZCGNHG-KRWDZBQOSA-N 1 3 321.484 3.201 50 0 DGAAHO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]C1CCN(CC(C)C)CC1 ZINC000240900713 432815907 /nfs/dbraw/zinc/81/59/07/432815907.db2.gz ITJCWURRUSXDIM-VQIMIIECSA-N 1 3 304.478 3.473 50 0 DGAAHO C[N@@H+]1CCCC2(CCN(Cc3ccc(Cl)nc3)CC2)CC1 ZINC000067695774 432036125 /nfs/dbraw/zinc/03/61/25/432036125.db2.gz QGEIEKUGMFKTTD-UHFFFAOYSA-N 1 3 307.869 3.433 50 0 DGAAHO C[N@H+]1CCCC2(CCN(Cc3ccc(Cl)nc3)CC2)CC1 ZINC000067695774 432036128 /nfs/dbraw/zinc/03/61/28/432036128.db2.gz QGEIEKUGMFKTTD-UHFFFAOYSA-N 1 3 307.869 3.433 50 0 DGAAHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(Cl)s1 ZINC000095968936 431929697 /nfs/dbraw/zinc/92/96/97/431929697.db2.gz ZHRSXMYECVGGOJ-LBPRGKRZSA-N 1 3 315.914 3.078 50 0 DGAAHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1)C1CCOCC1 ZINC000095969365 431930038 /nfs/dbraw/zinc/93/00/38/431930038.db2.gz YEMUAHPLJOHXTK-JTDSTZFVSA-N 1 3 308.510 3.434 50 0 DGAAHO CCn1cncc1CN1CC[C@@H](C2CC[NH+](CC(C)C)CC2)C1 ZINC000012314844 660528322 /nfs/dbraw/zinc/52/83/22/660528322.db2.gz ODFQBLMFLXZBLP-GOSISDBHSA-N 1 3 318.509 3.093 50 0 DGAAHO Cc1cc(F)ccc1C[NH+]1CCC([C@@H](C)N2CCOCC2)CC1 ZINC000072436524 191166344 /nfs/dbraw/zinc/16/63/44/191166344.db2.gz ZFTOVZCHGQVQGS-MRXNPFEDSA-N 1 3 320.452 3.067 50 0 DGAAHO COc1c(Cl)cc(Cl)cc1CNCC1CC[NH2+]CC1 ZINC000010434721 431459199 /nfs/dbraw/zinc/45/91/99/431459199.db2.gz NUZCEMFPIIJLLN-UHFFFAOYSA-N 1 3 303.233 3.091 50 0 DGAAHO C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@@H](O)c1ccc(F)cc1 ZINC000095968091 431928779 /nfs/dbraw/zinc/92/87/79/431928779.db2.gz ULCJAOGYZDLYKO-IFXJQAMLSA-N 1 3 320.452 3.244 50 0 DGAAHO CC(C)[NH+]1CCC(N[C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)CC1 ZINC000097082161 431959623 /nfs/dbraw/zinc/95/96/23/431959623.db2.gz MPZYUJICJIIXGD-RTBURBONSA-N 1 3 319.468 3.033 50 0 DGAAHO CC(C)N1CCC([NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)CC1 ZINC000097082161 431959626 /nfs/dbraw/zinc/95/96/26/431959626.db2.gz MPZYUJICJIIXGD-RTBURBONSA-N 1 3 319.468 3.033 50 0 DGAAHO CN(C)CCOc1ccccc1C[N@H+](C)[C@@H]1CCOC(C)(C)C1 ZINC000216284268 432649569 /nfs/dbraw/zinc/64/95/69/432649569.db2.gz LNYWMBGQPOCFAT-QGZVFWFLSA-N 1 3 320.477 3.016 50 0 DGAAHO CN(C)CCOc1ccccc1C[N@@H+](C)[C@@H]1CCOC(C)(C)C1 ZINC000216284268 432649573 /nfs/dbraw/zinc/64/95/73/432649573.db2.gz LNYWMBGQPOCFAT-QGZVFWFLSA-N 1 3 320.477 3.016 50 0 DGAAHO C[C@H](c1cccnc1)[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000280465779 433053836 /nfs/dbraw/zinc/05/38/36/433053836.db2.gz OQZJXRZWAFQTJY-AHRSYUTCSA-N 1 3 307.441 3.206 50 0 DGAAHO C[C@H](c1cccnc1)[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000280465779 433053840 /nfs/dbraw/zinc/05/38/40/433053840.db2.gz OQZJXRZWAFQTJY-AHRSYUTCSA-N 1 3 307.441 3.206 50 0 DGAAHO OC1CCN(Cc2ccc(C[NH2+]C[C@H]3CC=CCC3)cc2)CC1 ZINC000097020818 185398383 /nfs/dbraw/zinc/39/83/83/185398383.db2.gz MZJJZPGIBUAAST-KRWDZBQOSA-N 1 3 314.473 3.089 50 0 DGAAHO CCN1CCc2c(cccc2NC2CC[NH+](C(C)C)CC2)C1 ZINC000170593830 400763556 /nfs/dbraw/zinc/76/35/56/400763556.db2.gz FKHZOQFCSPFBMD-UHFFFAOYSA-N 1 3 301.478 3.349 50 0 DGAAHO C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@H](O)c1ccc(F)cc1 ZINC000095968089 431929014 /nfs/dbraw/zinc/92/90/14/431929014.db2.gz ULCJAOGYZDLYKO-LIRRHRJNSA-N 1 3 320.452 3.244 50 0 DGAAHO CC[C@H]1C=CCN1Cc1ccc(OC)c(C[NH+]2CCCC2)c1 ZINC000952873906 1096784356 /nfs/dbraw/zinc/78/43/56/1096784356.db2.gz QAVBJJVXYMASBJ-SFHVURJKSA-N 1 3 300.446 3.441 50 0 DGAAHO CCC[NH+]1CCC(NC[C@H](c2sccc2C)N(C)C)CC1 ZINC000065407490 184339232 /nfs/dbraw/zinc/33/92/32/184339232.db2.gz VPZKISDHKXLLFE-MRXNPFEDSA-N 1 3 309.523 3.123 50 0 DGAAHO CCCN1CCC([NH2+]C[C@H](c2sccc2C)N(C)C)CC1 ZINC000065407490 184339233 /nfs/dbraw/zinc/33/92/33/184339233.db2.gz VPZKISDHKXLLFE-MRXNPFEDSA-N 1 3 309.523 3.123 50 0 DGAAHO C[NH+]1CCC2(CCCN2Cc2ccc(OC(F)F)cc2)CC1 ZINC000374328315 257235232 /nfs/dbraw/zinc/23/52/32/257235232.db2.gz ZBTUQORCDLVHOK-UHFFFAOYSA-N 1 3 310.388 3.348 50 0 DGAAHO CN1CCC2(CCC[N@@H+]2Cc2ccc(OC(F)F)cc2)CC1 ZINC000374328315 257235234 /nfs/dbraw/zinc/23/52/34/257235234.db2.gz ZBTUQORCDLVHOK-UHFFFAOYSA-N 1 3 310.388 3.348 50 0 DGAAHO CN1CCC2(CCC[N@H+]2Cc2ccc(OC(F)F)cc2)CC1 ZINC000374328315 257235235 /nfs/dbraw/zinc/23/52/35/257235235.db2.gz ZBTUQORCDLVHOK-UHFFFAOYSA-N 1 3 310.388 3.348 50 0 DGAAHO CN(C)C(=S)C1=CC(C(C)(C)C)=C/C1=C(/N(C)C)[NH+](C)C ZINC000005383577 400087095 /nfs/dbraw/zinc/08/70/95/400087095.db2.gz YKQFVRPJBDJUHL-UHFFFAOYSA-N 1 3 307.507 3.123 50 0 DGAAHO CN(C)C(=S)C1=CC(C(C)(C)C)=C/C1=C(\N(C)C)[NH+](C)C ZINC000005383577 400087100 /nfs/dbraw/zinc/08/71/00/400087100.db2.gz YKQFVRPJBDJUHL-UHFFFAOYSA-N 1 3 307.507 3.123 50 0 DGAAHO Cc1ccc(-c2n[nH]cc2C[NH2+]C2CCN(CC(C)C)CC2)o1 ZINC000097159588 431963579 /nfs/dbraw/zinc/96/35/79/431963579.db2.gz BTAWIEGNDOTGDF-UHFFFAOYSA-N 1 3 316.449 3.188 50 0 DGAAHO CO[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000294173233 434028235 /nfs/dbraw/zinc/02/82/35/434028235.db2.gz JMWVCZZDZYBJIP-LJQANCHMSA-N 1 3 311.429 3.028 50 0 DGAAHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccsc1 ZINC000090526341 545828158 /nfs/dbraw/zinc/82/81/58/545828158.db2.gz LZMBKABBWSXSDN-JQFCIGGWSA-N 1 3 308.491 3.167 50 0 DGAAHO CN(Cc1nc2ccccc2[nH]1)[C@@H]1C[C@@H]2C[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001704350197 1202522690 /nfs/dbraw/zinc/52/26/90/1202522690.db2.gz GETKERAEPJHCNN-GEEKYZPCSA-N 1 3 312.461 3.114 50 0 DGAAHO C[N@@H+]1CCCC[C@H]1CC(=O)Nc1ccccc1CN1CCCC1 ZINC000828075223 1091804197 /nfs/dbraw/zinc/80/41/97/1091804197.db2.gz YVRILKIEKASAMZ-KRWDZBQOSA-N 1 3 315.461 3.095 50 0 DGAAHO C[N@H+]1CCCC[C@H]1CC(=O)Nc1ccccc1CN1CCCC1 ZINC000828075223 1091804203 /nfs/dbraw/zinc/80/42/03/1091804203.db2.gz YVRILKIEKASAMZ-KRWDZBQOSA-N 1 3 315.461 3.095 50 0 DGAAHO CC(C)Oc1ccccc1CCNC1CC[NH+](C(C)C)CC1 ZINC000065536233 184362563 /nfs/dbraw/zinc/36/25/63/184362563.db2.gz RKLAMAKPKGESSZ-UHFFFAOYSA-N 1 3 304.478 3.479 50 0 DGAAHO C[NH+](C)Cc1ccccc1CNCc1ccc(-n2ccnc2)cc1 ZINC000015185886 431603776 /nfs/dbraw/zinc/60/37/76/431603776.db2.gz ZXZOWXULSRXAIS-UHFFFAOYSA-N 1 3 320.440 3.224 50 0 DGAAHO Fc1ccccc1CN1CCC(C[NH2+][C@H]2CCSC2)CC1 ZINC000096477300 431952928 /nfs/dbraw/zinc/95/29/28/431952928.db2.gz WBRVCGSCRMTEAW-INIZCTEOSA-N 1 3 308.466 3.133 50 0 DGAAHO CC(C)CN1CCC([NH2+]Cc2c[nH]nc2-c2cccs2)CC1 ZINC000042207511 183242840 /nfs/dbraw/zinc/24/28/40/183242840.db2.gz ZHGVFCFATXEYET-UHFFFAOYSA-N 1 3 318.490 3.348 50 0 DGAAHO Cc1nc2ccccc2nc1CN1CCC([C@H](C)[NH+](C)C)CC1 ZINC000077485519 431600163 /nfs/dbraw/zinc/60/01/63/431600163.db2.gz JUNNCNKUEPGXMA-HNNXBMFYSA-N 1 3 312.461 3.100 50 0 DGAAHO c1cnn(-c2cccc(CNC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c2)c1 ZINC000055308724 431978961 /nfs/dbraw/zinc/97/89/61/431978961.db2.gz UTQSACHKVCEEER-AZUAARDMSA-N 1 3 324.472 3.226 50 0 DGAAHO c1cnn(-c2cccc(CNC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c2)c1 ZINC000055308724 431978963 /nfs/dbraw/zinc/97/89/63/431978963.db2.gz UTQSACHKVCEEER-AZUAARDMSA-N 1 3 324.472 3.226 50 0 DGAAHO Cc1c(C)n(CCC[NH+](C)C)c2nc3c(c(N)c12)CCCCC3 ZINC000049543393 431941510 /nfs/dbraw/zinc/94/15/10/431941510.db2.gz SSVHBRHKXLMCQA-UHFFFAOYSA-N 1 3 314.477 3.456 50 0 biogenic DGAAHO CCC(C)(C)[C@H]1CCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192775942 432412607 /nfs/dbraw/zinc/41/26/07/432412607.db2.gz AZHXUEHXVXRXBO-GOSISDBHSA-N 1 3 309.542 3.303 50 0 DGAAHO CCC(C)(C)[C@H]1CCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192775942 432412610 /nfs/dbraw/zinc/41/26/10/432412610.db2.gz AZHXUEHXVXRXBO-GOSISDBHSA-N 1 3 309.542 3.303 50 0 DGAAHO CC(C)[NH+]1CCC(CN2CCN(C)[C@H](c3ccccc3)C2)CC1 ZINC000216168719 432646808 /nfs/dbraw/zinc/64/68/08/432646808.db2.gz XNISGSDFTCOCND-FQEVSTJZSA-N 1 3 315.505 3.096 50 0 DGAAHO C[C@]1(O)CCC[N@H+](Cc2cc(CN3CCCCC3)cs2)CC1 ZINC000216543678 432651676 /nfs/dbraw/zinc/65/16/76/432651676.db2.gz VCGJBBABIORHLF-SFHVURJKSA-N 1 3 322.518 3.471 50 0 DGAAHO C[C@]1(O)CCC[N@@H+](Cc2cc(CN3CCCCC3)cs2)CC1 ZINC000216543678 432651678 /nfs/dbraw/zinc/65/16/78/432651678.db2.gz VCGJBBABIORHLF-SFHVURJKSA-N 1 3 322.518 3.471 50 0 DGAAHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccsc1 ZINC000241326129 432815257 /nfs/dbraw/zinc/81/52/57/432815257.db2.gz LZMBKABBWSXSDN-IAOVAPTHSA-N 1 3 308.491 3.167 50 0 DGAAHO CC[N@@H+]1CC[C@H](CN(C)Cc2cc(CN3CCCC3)cs2)C1 ZINC000215045343 546260724 /nfs/dbraw/zinc/26/07/24/546260724.db2.gz DIFIFRBCTZBKRC-MRXNPFEDSA-N 1 3 321.534 3.118 50 0 DGAAHO CC[N@H+]1CC[C@H](CN(C)Cc2cc(CN3CCCC3)cs2)C1 ZINC000215045343 546260731 /nfs/dbraw/zinc/26/07/31/546260731.db2.gz DIFIFRBCTZBKRC-MRXNPFEDSA-N 1 3 321.534 3.118 50 0 DGAAHO Cc1cc(F)ccc1C[NH+]1CCC([C@H](C)N2CCOCC2)CC1 ZINC000072436526 191165687 /nfs/dbraw/zinc/16/56/87/191165687.db2.gz ZFTOVZCHGQVQGS-INIZCTEOSA-N 1 3 320.452 3.067 50 0 DGAAHO CC1(C)CC([NH+]2CCC(CCn3cccn3)CC2)CC(C)(C)N1 ZINC000067561271 432032697 /nfs/dbraw/zinc/03/26/97/432032697.db2.gz DIICTQJLSMZISQ-UHFFFAOYSA-N 1 3 318.509 3.294 50 0 DGAAHO Cc1n[nH]c(C)c1CCCN(C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000067803140 432040682 /nfs/dbraw/zinc/04/06/82/432040682.db2.gz GJKIEYRCPCENGG-UHFFFAOYSA-N 1 3 306.498 3.200 50 0 DGAAHO Cc1n[nH]c(C)c1CCC[N@@H+](C)C1CC(C)(C)NC(C)(C)C1 ZINC000067803140 432040684 /nfs/dbraw/zinc/04/06/84/432040684.db2.gz GJKIEYRCPCENGG-UHFFFAOYSA-N 1 3 306.498 3.200 50 0 DGAAHO Cc1n[nH]c(C)c1CCC[N@H+](C)C1CC(C)(C)NC(C)(C)C1 ZINC000067803140 432040688 /nfs/dbraw/zinc/04/06/88/432040688.db2.gz GJKIEYRCPCENGG-UHFFFAOYSA-N 1 3 306.498 3.200 50 0 DGAAHO CC(C)CN1CCC([NH2+][C@@H](Cn2ccnc2)C(C)(C)C)CC1 ZINC000067909236 432045336 /nfs/dbraw/zinc/04/53/36/432045336.db2.gz VCZDIIVJIBQOJY-KRWDZBQOSA-N 1 3 306.498 3.008 50 0 DGAAHO CO[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000294173231 277636045 /nfs/dbraw/zinc/63/60/45/277636045.db2.gz JMWVCZZDZYBJIP-IBGZPJMESA-N 1 3 311.429 3.028 50 0 DGAAHO COc1ccc(C[N@H+](C)C[C@@H]2CCCN3CCCC[C@H]23)cc1O ZINC000055282652 431979032 /nfs/dbraw/zinc/97/90/32/431979032.db2.gz IQLDSINVZVBTOX-DLBZAZTESA-N 1 3 318.461 3.097 50 0 DGAAHO COc1ccc(C[N@@H+](C)C[C@@H]2CCCN3CCCC[C@H]23)cc1O ZINC000055282652 431979034 /nfs/dbraw/zinc/97/90/34/431979034.db2.gz IQLDSINVZVBTOX-DLBZAZTESA-N 1 3 318.461 3.097 50 0 DGAAHO Cc1c2cc(Cl)ccc2[nH]c1CN1C[C@H]2[C@H](C[NH+](C)C)[C@H]2C1 ZINC000102441439 431994944 /nfs/dbraw/zinc/99/49/44/431994944.db2.gz VHIMRJCZYKVBSI-PHZGNYQRSA-N 1 3 317.864 3.369 50 0 DGAAHO C[N@H+](Cc1ccccc1)C1CCN(C[C@H]2CCCOC2)CC1 ZINC000252499258 432380262 /nfs/dbraw/zinc/38/02/62/432380262.db2.gz RXXZBGSZKHUWKQ-GOSISDBHSA-N 1 3 302.462 3.009 50 0 DGAAHO C[N@@H+](Cc1ccccc1)C1CCN(C[C@H]2CCCOC2)CC1 ZINC000252499258 432380265 /nfs/dbraw/zinc/38/02/65/432380265.db2.gz RXXZBGSZKHUWKQ-GOSISDBHSA-N 1 3 302.462 3.009 50 0 DGAAHO CCC(C)(C)[C@@H]1CCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192775930 432413398 /nfs/dbraw/zinc/41/33/98/432413398.db2.gz AZHXUEHXVXRXBO-SFHVURJKSA-N 1 3 309.542 3.303 50 0 DGAAHO CCC(C)(C)[C@@H]1CCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192775930 432413402 /nfs/dbraw/zinc/41/34/02/432413402.db2.gz AZHXUEHXVXRXBO-SFHVURJKSA-N 1 3 309.542 3.303 50 0 DGAAHO C[C@@H](c1cccnc1)[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000280465781 433053957 /nfs/dbraw/zinc/05/39/57/433053957.db2.gz OQZJXRZWAFQTJY-FFZOFVMBSA-N 1 3 307.441 3.206 50 0 DGAAHO C[C@@H](c1cccnc1)[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000280465781 433053961 /nfs/dbraw/zinc/05/39/61/433053961.db2.gz OQZJXRZWAFQTJY-FFZOFVMBSA-N 1 3 307.441 3.206 50 0 DGAAHO C[N@@H+](Cc1cc(CN2CCCCC2)cs1)C[C@@H]1CCOC1 ZINC000823719840 1091698279 /nfs/dbraw/zinc/69/82/79/1091698279.db2.gz OBANPNBQUOICRC-HNNXBMFYSA-N 1 3 308.491 3.202 50 0 DGAAHO C[N@H+](Cc1cc(CN2CCCCC2)cs1)C[C@@H]1CCOC1 ZINC000823719840 1091698283 /nfs/dbraw/zinc/69/82/83/1091698283.db2.gz OBANPNBQUOICRC-HNNXBMFYSA-N 1 3 308.491 3.202 50 0 DGAAHO [NH3+]CCCNCCOc1ccc(Cl)cc1Cc1ccccc1 ZINC000004833003 181158732 /nfs/dbraw/zinc/15/87/32/181158732.db2.gz NLNWGFFIXAPUMJ-UHFFFAOYSA-N 1 3 318.848 3.248 50 0 DGAAHO Cc1cccc(NC(=O)CC[NH2+]C2CCN(CC(C)C)CC2)c1 ZINC000067955834 432047347 /nfs/dbraw/zinc/04/73/47/432047347.db2.gz ZVXTUPCYUGOPIX-UHFFFAOYSA-N 1 3 317.477 3.034 50 0 DGAAHO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccnc(N)c2)CC1 ZINC000193398923 201046290 /nfs/dbraw/zinc/04/62/90/201046290.db2.gz OBTWTYVNSULZTL-INIZCTEOSA-N 1 3 316.493 3.140 50 0 DGAAHO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2ccnc(N)c2)CC1 ZINC000193398923 201046294 /nfs/dbraw/zinc/04/62/94/201046294.db2.gz OBTWTYVNSULZTL-INIZCTEOSA-N 1 3 316.493 3.140 50 0 DGAAHO CCC[NH+]1CCC(N2CCCN(c3ccccc3)CC2)CC1 ZINC000019221283 182108341 /nfs/dbraw/zinc/10/83/41/182108341.db2.gz GRHLKIGPQRXNFY-UHFFFAOYSA-N 1 3 301.478 3.073 50 0 DGAAHO CC(C)[NH+]1CCC(N[C@@H]2CCN(C)[C@H]2c2ccc(F)cc2)CC1 ZINC000108495535 431146796 /nfs/dbraw/zinc/14/67/96/431146796.db2.gz MPZYUJICJIIXGD-MOPGFXCFSA-N 1 3 319.468 3.033 50 0 DGAAHO CC(C)N1CCC([NH2+][C@@H]2CCN(C)[C@H]2c2ccc(F)cc2)CC1 ZINC000108495535 431146806 /nfs/dbraw/zinc/14/68/06/431146806.db2.gz MPZYUJICJIIXGD-MOPGFXCFSA-N 1 3 319.468 3.033 50 0 DGAAHO C[NH+](C)C[C@]1(O)CCCN(Cc2ccccc2-c2ccccc2)C1 ZINC000072162378 431332882 /nfs/dbraw/zinc/33/28/82/431332882.db2.gz LLUFWWCCYODJOB-OAQYLSRUSA-N 1 3 324.468 3.242 50 0 DGAAHO Cc1c[nH+]ccc1N1CCN(CCCc2cccc(F)c2)CC1 ZINC000020906062 431627175 /nfs/dbraw/zinc/62/71/75/431627175.db2.gz LNYBGTOCDLKSIC-UHFFFAOYSA-N 1 3 313.420 3.284 50 0 DGAAHO c1cc(CCN2CCC(C[NH+]3CCCCCC3)CC2)ccn1 ZINC000057890475 431994237 /nfs/dbraw/zinc/99/42/37/431994237.db2.gz SHCKZIDNTULPNQ-UHFFFAOYSA-N 1 3 301.478 3.212 50 0 DGAAHO CN(CC(=O)Nc1cccc(C[NH+]2CCCC2)c1)C1CCCC1 ZINC000952968437 662208846 /nfs/dbraw/zinc/20/88/46/662208846.db2.gz GXVXXWOQJYIGTM-UHFFFAOYSA-N 1 3 315.461 3.095 50 0 DGAAHO CC[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)N(C)CC ZINC000822554854 1091665140 /nfs/dbraw/zinc/66/51/40/1091665140.db2.gz TWWDBPBJXZRCLV-KRWDZBQOSA-N 1 3 323.525 3.022 50 0 DGAAHO c1cc2c(c(-c3ccc(CN4CCCCC4)cn3)c1)CC[NH2+]C2 ZINC000071735540 191018224 /nfs/dbraw/zinc/01/82/24/191018224.db2.gz SSIKYDVBJSHHKB-UHFFFAOYSA-N 1 3 307.441 3.380 50 0 DGAAHO CN(C)[C@H]1CCC[N@H+](Cc2ccc(CCC(C)(C)O)cc2)CC1 ZINC000072473569 191176383 /nfs/dbraw/zinc/17/63/83/191176383.db2.gz OXBNYMVRSXFGDO-IBGZPJMESA-N 1 3 318.505 3.306 50 0 DGAAHO CN(C)[C@H]1CCC[N@@H+](Cc2ccc(CCC(C)(C)O)cc2)CC1 ZINC000072473569 191176386 /nfs/dbraw/zinc/17/63/86/191176386.db2.gz OXBNYMVRSXFGDO-IBGZPJMESA-N 1 3 318.505 3.306 50 0 DGAAHO CCN1CCC[C@@H](C[N@H+](C)Cc2ccc(-n3ccnc3)cc2)C1 ZINC000067458005 432031617 /nfs/dbraw/zinc/03/16/17/432031617.db2.gz XRIGDZOUGMEWIL-SFHVURJKSA-N 1 3 312.461 3.036 50 0 DGAAHO CCN1CCC[C@@H](C[N@@H+](C)Cc2ccc(-n3ccnc3)cc2)C1 ZINC000067458005 432031619 /nfs/dbraw/zinc/03/16/19/432031619.db2.gz XRIGDZOUGMEWIL-SFHVURJKSA-N 1 3 312.461 3.036 50 0 DGAAHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccsc1 ZINC000090526337 545828317 /nfs/dbraw/zinc/82/83/17/545828317.db2.gz LZMBKABBWSXSDN-XKQJLSEDSA-N 1 3 308.491 3.167 50 0 DGAAHO Cc1cnccc1N1CCC[N@H+](C[C@@H]2CCOC(C)(C)C2)CC1 ZINC000215840543 432645429 /nfs/dbraw/zinc/64/54/29/432645429.db2.gz ISGNZFQMCNUICL-QGZVFWFLSA-N 1 3 317.477 3.107 50 0 DGAAHO Cc1cnccc1N1CCC[N@@H+](C[C@@H]2CCOC(C)(C)C2)CC1 ZINC000215840543 432645432 /nfs/dbraw/zinc/64/54/32/432645432.db2.gz ISGNZFQMCNUICL-QGZVFWFLSA-N 1 3 317.477 3.107 50 0 DGAAHO C[C@H](c1cccc(CN(C)Cc2ccc3nonc3c2)c1)[NH+](C)C ZINC000216390621 432649799 /nfs/dbraw/zinc/64/97/99/432649799.db2.gz AAYXVXJGFZYDKD-CQSZACIVSA-N 1 3 324.428 3.477 50 0 DGAAHO COc1ccc2c(c1F)CC[C@H]2[NH2+]C1CC(N2CCCCC2)C1 ZINC000377562913 433916621 /nfs/dbraw/zinc/91/66/21/433916621.db2.gz LNMRQDNVRKAIEX-MQBCKMQZSA-N 1 3 318.436 3.428 50 0 DGAAHO C[NH+](C)CC1(O)CCN(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000215088893 546260664 /nfs/dbraw/zinc/26/06/64/546260664.db2.gz MMXQCRKTLLMWAL-UHFFFAOYSA-N 1 3 324.468 3.242 50 0 DGAAHO CN(C)CCOc1ccc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)cc1 ZINC000071682110 191006858 /nfs/dbraw/zinc/00/68/58/191006858.db2.gz UNOXXQXDQAILNJ-HDICACEKSA-N 1 3 300.446 3.025 50 0 DGAAHO CN(C)CCOc1ccc(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)cc1 ZINC000071682110 191006860 /nfs/dbraw/zinc/00/68/60/191006860.db2.gz UNOXXQXDQAILNJ-HDICACEKSA-N 1 3 300.446 3.025 50 0 DGAAHO C[C@H](NC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1 ZINC000192863042 400916669 /nfs/dbraw/zinc/91/66/69/400916669.db2.gz BDUHUYJFDGQVPD-UXDRXVOSSA-N 1 3 315.505 3.331 50 0 DGAAHO Cc1csc(CNCCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000096499948 431954748 /nfs/dbraw/zinc/95/47/48/431954748.db2.gz CYLQWAAFGVMZKB-UHFFFAOYSA-N 1 3 316.474 3.243 50 0 DGAAHO C[C@@H](c1ccc(CN(C)CCC2(O)CCCC2)cc1)[NH+](C)C ZINC000216353267 432649461 /nfs/dbraw/zinc/64/94/61/432649461.db2.gz UVKITCUTIORQSD-INIZCTEOSA-N 1 3 304.478 3.436 50 0 DGAAHO OC1CCN(Cc2ccc(C[NH2+]C[C@@H]3CC=CCC3)cc2)CC1 ZINC000097020820 185398386 /nfs/dbraw/zinc/39/83/86/185398386.db2.gz MZJJZPGIBUAAST-QGZVFWFLSA-N 1 3 314.473 3.089 50 0 DGAAHO CN(Cc1ccc(CC[NH3+])cc1)Cc1cccc(-n2cccn2)c1 ZINC000072426332 191159700 /nfs/dbraw/zinc/15/97/00/191159700.db2.gz ZJMLLSAJOKSNBC-UHFFFAOYSA-N 1 3 320.440 3.006 50 0 DGAAHO CN(Cc1ccc(-n2cccn2)cc1)Cc1cccc(CC[NH3+])c1 ZINC000072433671 191164481 /nfs/dbraw/zinc/16/44/81/191164481.db2.gz BECWNICBJYSWCW-UHFFFAOYSA-N 1 3 320.440 3.006 50 0 DGAAHO Cc1cc(C)n(CCC[N@@H+](C)C2CC(C)(C)NC(C)(C)C2)n1 ZINC000067788022 432041611 /nfs/dbraw/zinc/04/16/11/432041611.db2.gz ZZHXAODCKMWPJB-UHFFFAOYSA-N 1 3 306.498 3.131 50 0 DGAAHO Cc1cc(C)n(CCC[N@H+](C)C2CC(C)(C)NC(C)(C)C2)n1 ZINC000067788022 432041612 /nfs/dbraw/zinc/04/16/12/432041612.db2.gz ZZHXAODCKMWPJB-UHFFFAOYSA-N 1 3 306.498 3.131 50 0 DGAAHO Cc1cc(C)n(CCCN(C)C2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000067788022 432041614 /nfs/dbraw/zinc/04/16/14/432041614.db2.gz ZZHXAODCKMWPJB-UHFFFAOYSA-N 1 3 306.498 3.131 50 0 DGAAHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C1CCN(CC(C)C)CC1 ZINC000240900710 286022762 /nfs/dbraw/zinc/02/27/62/286022762.db2.gz ITJCWURRUSXDIM-APWZRJJASA-N 1 3 304.478 3.473 50 0 DGAAHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC000191381045 432258442 /nfs/dbraw/zinc/25/84/42/432258442.db2.gz XPGFWNIDSBAJMD-FQEVSTJZSA-N 1 3 315.505 3.240 50 0 DGAAHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC000191381045 432258447 /nfs/dbraw/zinc/25/84/47/432258447.db2.gz XPGFWNIDSBAJMD-FQEVSTJZSA-N 1 3 315.505 3.240 50 0 DGAAHO CC(C)[NH+]1CCC(CN(CCN(C)C)Cc2ccsc2)CC1 ZINC000055243540 431978411 /nfs/dbraw/zinc/97/84/11/431978411.db2.gz BJMVXSQNAPEYJP-UHFFFAOYSA-N 1 3 323.550 3.232 50 0 DGAAHO CC(C)C[C@H](C)C[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000290501370 433072687 /nfs/dbraw/zinc/07/26/87/433072687.db2.gz WOCZUTYSHIKFQH-KRWDZBQOSA-N 1 3 318.505 3.415 50 0 DGAAHO COc1ccc2c(c1)C[C@H]([NH2+]CC1(CN3CCCC3)CC1)CC2 ZINC000534655001 334313506 /nfs/dbraw/zinc/31/35/06/334313506.db2.gz SLWOQKKUGBOEFR-GOSISDBHSA-N 1 3 314.473 3.018 50 0 DGAAHO COCC[N@@H+]1CCC[C@@H](CNCc2ccc(Cl)cc2C)C1 ZINC000952967193 662208958 /nfs/dbraw/zinc/20/89/58/662208958.db2.gz ZIWVSCPILXVFEU-HNNXBMFYSA-N 1 3 310.869 3.096 50 0 DGAAHO COCC[N@H+]1CCC[C@@H](CNCc2ccc(Cl)cc2C)C1 ZINC000952967193 662208960 /nfs/dbraw/zinc/20/89/60/662208960.db2.gz ZIWVSCPILXVFEU-HNNXBMFYSA-N 1 3 310.869 3.096 50 0 DGAAHO