smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)CC([NH2+]CCCc2ccccc2F)CC(C)(C)[NH2+]1 ZINC000826626652 1129340025 /nfs/dbraw/zinc/34/00/25/1129340025.db2.gz DPHBYZGUBOLMBD-UHFFFAOYSA-N 2 0 292.442 3.657 50 0 CHAARP CC/C=C(\C)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000065427782 1129619804 /nfs/dbraw/zinc/61/98/04/1129619804.db2.gz YNYBUYYWGXNUPX-OMCISZLKSA-N 2 0 295.430 3.713 50 0 CHAARP CCCn1c(C)cnc1[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000581816039 1129625474 /nfs/dbraw/zinc/62/54/74/1129625474.db2.gz MLOWPLISZQXJSA-KRWDZBQOSA-N 2 0 289.467 3.971 50 0 CHAARP CC[C@H]1C=CC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)s1 ZINC000952868187 1132015956 /nfs/dbraw/zinc/01/59/56/1132015956.db2.gz CVVZPOPUYKYPKB-HNNXBMFYSA-N 2 0 290.476 3.884 50 0 CHAARP CCC[NH+]1CCC([NH2+][C@H](C)CCCC(C)C)CC1 ZINC000020138629 171026090 /nfs/dbraw/zinc/02/60/90/171026090.db2.gz LPOGLYMFSGZALH-OAHLLOKOSA-N 2 0 254.462 3.665 50 0 CHAARP CSc1ccccc1C[NH+]1CCC([C@H](C)[NH+](C)C)CC1 ZINC000077454736 177270284 /nfs/dbraw/zinc/27/02/84/177270284.db2.gz FOUOTAMVTVCEIH-AWEZNQCLSA-N 2 0 292.492 3.571 50 0 CHAARP CC(C)[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000035016052 566841745 /nfs/dbraw/zinc/84/17/45/566841745.db2.gz KZZMDQKXUATUBB-SFHVURJKSA-N 2 0 274.452 3.846 50 0 CHAARP CCCC[NH+](CCCC)[C@@H]1CCCCN2CCC[NH+]=C12 ZINC000002389286 567845924 /nfs/dbraw/zinc/84/59/24/567845924.db2.gz MGKYTFDYDXZTEM-MRXNPFEDSA-N 2 0 279.472 3.545 50 0 CHAARP C[C@H](c1ccc(-c2cc(N)cc[nH+]2)cc1)[NH+]1CCCCC1 ZINC000096180396 567910228 /nfs/dbraw/zinc/91/02/28/567910228.db2.gz VRESRDYBBFEJMU-CQSZACIVSA-N 2 0 281.403 3.878 50 0 CHAARP CC[NH+](CC)CCC[NH2+]C1C[C@@H](C(C)C)O[C@H](C(C)C)C1 ZINC000524734828 1126792710 /nfs/dbraw/zinc/79/27/10/1126792710.db2.gz BPDWPZDLLOSKQI-ROUUACIJSA-N 2 0 298.515 3.536 50 0 CHAARP C1CCC([NH+]2CCC([NH+]3CCCCCC3)CC2)CC1 ZINC000004703447 170002128 /nfs/dbraw/zinc/00/21/28/170002128.db2.gz BSGAUFJEHNSTJX-UHFFFAOYSA-N 2 0 264.457 3.660 50 0 CHAARP CC1CC[NH+](C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000004723262 170006059 /nfs/dbraw/zinc/00/60/59/170006059.db2.gz IVIGFDJXCVSDLP-AEFFLSMTSA-N 2 0 278.484 3.761 50 0 CHAARP CC1CC[NH+](C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000004745818 170010392 /nfs/dbraw/zinc/01/03/92/170010392.db2.gz LIVDPNYSDMDMOH-UHFFFAOYSA-N 2 0 264.457 3.515 50 0 CHAARP C[NH+](C)CC(C)(C)C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000000757055 567884025 /nfs/dbraw/zinc/88/40/25/567884025.db2.gz OPXUHLULWUQJRN-UHFFFAOYSA-N 2 0 288.479 3.890 50 0 CHAARP c1ccc([C@@H]2[N@H+](C3CC[NH2+]CC3)CC23CCCCC3)cc1 ZINC000169676556 567939442 /nfs/dbraw/zinc/93/94/42/567939442.db2.gz ALVPVVPYHDKTBR-SFHVURJKSA-N 2 0 284.447 3.746 50 0 CHAARP c1ccc([C@H]2[N@H+](C3CC[NH2+]CC3)CC23CCCCC3)cc1 ZINC000169676557 567939453 /nfs/dbraw/zinc/93/94/53/567939453.db2.gz ALVPVVPYHDKTBR-GOSISDBHSA-N 2 0 284.447 3.746 50 0 CHAARP Cc1cccnc1C[N@@H+](C)Cc1cccc([C@@H](C)[NH+](C)C)c1 ZINC000215054044 1125425568 /nfs/dbraw/zinc/42/55/68/1125425568.db2.gz MVFPUFBFGLURFE-MRXNPFEDSA-N 2 0 297.446 3.645 50 0 CHAARP C1C[C@H]2C[C@@H]1[C@@H]([NH+]1CCC([NH+]3CCCCCC3)CC1)C2 ZINC000004703446 170001673 /nfs/dbraw/zinc/00/16/73/170001673.db2.gz XCZBNZIWHQGJOM-JZXOWHBKSA-N 2 0 276.468 3.515 50 0 CHAARP CCC[NH+]1CCC([NH2+][C@@H](C)CCCC(C)C)CC1 ZINC000020138625 171026351 /nfs/dbraw/zinc/02/63/51/171026351.db2.gz LPOGLYMFSGZALH-HNNXBMFYSA-N 2 0 254.462 3.665 50 0 CHAARP c1ccc2cc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)ccc2c1 ZINC000261853018 1122168268 /nfs/dbraw/zinc/16/82/68/1122168268.db2.gz DSRGXWUCZZUWPA-HXUWFJFHSA-N 2 0 294.442 3.804 50 0 CHAARP CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000095940733 185035654 /nfs/dbraw/zinc/03/56/54/185035654.db2.gz BLKAIVWFSBZCFP-ZNMIVQPWSA-N 2 0 254.462 3.521 50 0 CHAARP C[C@@H]1CCC[C@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000004904174 170039130 /nfs/dbraw/zinc/03/91/30/170039130.db2.gz JXZJRVLMSAQATR-WBVHZDCISA-N 2 0 264.457 3.515 50 0 CHAARP C[NH+](C)CCC[NH2+][C@@H]1CCCC[C@H]1C1=CCCCC1 ZINC000002273771 567074921 /nfs/dbraw/zinc/07/49/21/567074921.db2.gz YHQYFTPUPICJHP-DLBZAZTESA-N 2 0 264.457 3.587 50 0 CHAARP C[C@@H](c1cccc(C[N@H+](C)Cc2ccoc2)c1)[NH+](C)C ZINC000823716268 1129270198 /nfs/dbraw/zinc/27/01/98/1129270198.db2.gz GXWDYMDPNVGIOV-AWEZNQCLSA-N 2 0 272.392 3.534 50 0 CHAARP CCCC[NH2+]C1C2CC3CC1CC(C2)C3[NH2+]CCCC ZINC000002896525 169842528 /nfs/dbraw/zinc/84/25/28/169842528.db2.gz CBRAHBFSPUKVNZ-UHFFFAOYSA-N 2 0 278.484 3.569 50 0 CHAARP CC1CC[NH+](C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000004723259 170005405 /nfs/dbraw/zinc/00/54/05/170005405.db2.gz IVIGFDJXCVSDLP-FUHWJXTLSA-N 2 0 278.484 3.761 50 0 CHAARP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000020189352 171054242 /nfs/dbraw/zinc/05/42/42/171054242.db2.gz DMQVXAACTLRUCP-OAHLLOKOSA-N 2 0 274.452 3.772 50 0 CHAARP c1ccc2cc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)ccc2c1 ZINC000261853010 1122168938 /nfs/dbraw/zinc/16/89/38/1122168938.db2.gz DSRGXWUCZZUWPA-FQEVSTJZSA-N 2 0 294.442 3.804 50 0 CHAARP CCCn1c(C)cnc1[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000581816046 1129625764 /nfs/dbraw/zinc/62/57/64/1129625764.db2.gz MLOWPLISZQXJSA-QGZVFWFLSA-N 2 0 289.467 3.971 50 0 CHAARP CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000095940735 185035908 /nfs/dbraw/zinc/03/59/08/185035908.db2.gz BLKAIVWFSBZCFP-RRFJBIMHSA-N 2 0 254.462 3.521 50 0 CHAARP CCCC[C@@H](CC)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000020124490 171007127 /nfs/dbraw/zinc/00/71/27/171007127.db2.gz ULSHQJMUFCTEPG-OAHLLOKOSA-N 2 0 254.462 3.665 50 0 CHAARP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C1CCCC1 ZINC000248401618 566870289 /nfs/dbraw/zinc/87/02/89/566870289.db2.gz MAJADYABSVVSSL-ZOBUZTSGSA-N 2 0 278.484 3.808 50 0 CHAARP Cc1ccc(C)[n+](CCCCCC[n+]2cc(C)ccc2C)c1 ZINC000002156592 567929399 /nfs/dbraw/zinc/92/93/99/567929399.db2.gz LTHNNUIYOWCMKT-UHFFFAOYSA-N 2 0 298.474 3.756 50 0 CHAARP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc2ccccc21 ZINC000019905666 567931690 /nfs/dbraw/zinc/93/16/90/567931690.db2.gz IKUDXOQFNGDQJT-UHFFFAOYSA-N 2 0 270.420 3.517 50 0 CHAARP CC(C)Oc1ccc([C@H]([NH2+]CCC[NH+](C)C)C(C)C)cc1 ZINC000012391219 570315748 /nfs/dbraw/zinc/31/57/48/570315748.db2.gz GAJWPYHCHMVONZ-GOSISDBHSA-N 2 0 292.467 3.712 50 0 CHAARP CCC[C@H]1C=CC[N@@H+]1Cc1cc(C[NH+]2CCCC2)cs1 ZINC000822804568 1121971551 /nfs/dbraw/zinc/97/15/51/1121971551.db2.gz FGVXSAJJZRRSDP-INIZCTEOSA-N 2 0 290.476 3.884 50 0 CHAARP Fc1ccccc1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000000216060 1129737082 /nfs/dbraw/zinc/73/70/82/1129737082.db2.gz VOYMKYCXKDNTQB-UHFFFAOYSA-N 2 0 298.405 3.580 50 0 CHAARP C[C@H](CCc1ccco1)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000095419376 567131416 /nfs/dbraw/zinc/13/14/16/567131416.db2.gz HRFRTUBDRSAARM-OAHLLOKOSA-N 2 0 290.451 3.597 50 0 CHAARP C[C@H](C[N@H+](C)C1CC(c2ccccc2)C1)C[NH+]1CCCC1 ZINC000032534926 570338488 /nfs/dbraw/zinc/33/84/88/570338488.db2.gz QKNKYZKIEPSIMN-IPJUCJBFSA-N 2 0 286.463 3.596 50 0 CHAARP CCC[C@@H]1C=CC[N@@H+]1Cc1cc(C[NH+]2CCCC2)cs1 ZINC000822804586 1121972259 /nfs/dbraw/zinc/97/22/59/1121972259.db2.gz FGVXSAJJZRRSDP-MRXNPFEDSA-N 2 0 290.476 3.884 50 0 CHAARP Cc1cccnc1C[N@@H+](C)Cc1cccc([C@H](C)[NH+](C)C)c1 ZINC000215054095 1125425679 /nfs/dbraw/zinc/42/56/79/1125425679.db2.gz MVFPUFBFGLURFE-INIZCTEOSA-N 2 0 297.446 3.645 50 0 CHAARP C[C@@H](c1ccc(C[N@H+](C)Cc2ccoc2)cc1)[NH+](C)C ZINC000823716271 1129270369 /nfs/dbraw/zinc/27/03/69/1129270369.db2.gz IPOJPCHCGVRNLM-AWEZNQCLSA-N 2 0 272.392 3.534 50 0 CHAARP CCC[NH+]1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000000279828 528204663 /nfs/dbraw/zinc/20/46/63/528204663.db2.gz SCPUJCPRKAHUIL-GOSISDBHSA-N 2 0 272.436 3.528 50 0 CHAARP C[N@H+](Cc1ccccc1)C1CC[NH+](C2CCCCC2)CC1 ZINC000004553791 567858104 /nfs/dbraw/zinc/85/81/04/567858104.db2.gz RZNHMUFTRQOOBH-UHFFFAOYSA-N 2 0 286.463 3.916 50 0 CHAARP Cc1ccc(-c2cccc(C[N@@H+]3CCC[C@@H]([NH3+])CC3)c2)o1 ZINC000097522450 567910679 /nfs/dbraw/zinc/91/06/79/567910679.db2.gz MKWUVUJVNFAADU-QGZVFWFLSA-N 2 0 284.403 3.568 50 0 CHAARP CC[NH+](CC)CCC[NH2+]C1C[C@H](C(C)C)O[C@@H](C(C)C)C1 ZINC000524734827 1126792756 /nfs/dbraw/zinc/79/27/56/1126792756.db2.gz BPDWPZDLLOSKQI-QZTJIDSGSA-N 2 0 298.515 3.536 50 0 CHAARP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccncc1 ZINC000095982628 185053752 /nfs/dbraw/zinc/05/37/52/185053752.db2.gz WVSFWYLIEKSZHG-ZLPCBKJTSA-N 2 0 287.451 3.529 50 0 CHAARP C(CC[NH+]1CCCCCC1)C[NH+]1CCCCCC1 ZINC000002227535 169782117 /nfs/dbraw/zinc/78/21/17/169782117.db2.gz STZIRYVBGSAQLE-UHFFFAOYSA-N 2 0 252.446 3.519 50 0 CHAARP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000225532590 567953916 /nfs/dbraw/zinc/95/39/16/567953916.db2.gz XJBRBMAPYZBIQP-DOTOQJQBSA-N 2 0 272.436 3.619 50 0 CHAARP C[NH+](C)CC(C)(C)C[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000003683623 570400282 /nfs/dbraw/zinc/40/02/82/570400282.db2.gz WLIDMQMFZAYSIZ-UHFFFAOYSA-N 2 0 268.489 3.769 50 0 CHAARP CCN(CC)CC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000019919195 1120192617 /nfs/dbraw/zinc/19/26/17/1120192617.db2.gz NDGOOEIFOYZLLM-UHFFFAOYSA-N 2 0 274.452 3.644 50 0 CHAARP C[C@H](c1cccc(C[N@H+](C)Cc2ccoc2)c1)[NH+](C)C ZINC000823716269 1129270336 /nfs/dbraw/zinc/27/03/36/1129270336.db2.gz GXWDYMDPNVGIOV-CQSZACIVSA-N 2 0 272.392 3.534 50 0 CHAARP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000004904178 170039170 /nfs/dbraw/zinc/03/91/70/170039170.db2.gz JXZJRVLMSAQATR-NVXWUHKLSA-N 2 0 264.457 3.515 50 0 CHAARP CCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(C)c1)C2 ZINC000011841884 1120342444 /nfs/dbraw/zinc/34/24/44/1120342444.db2.gz ICSUAVLOVCDTPJ-IBGZPJMESA-N 2 0 286.463 3.693 50 0 CHAARP C[C@H]1CCC[N@@H+](C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000004703488 170002033 /nfs/dbraw/zinc/00/20/33/170002033.db2.gz HDWPVODJKJVUIP-HNNXBMFYSA-N 2 0 264.457 3.515 50 0 CHAARP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C1CCCC1 ZINC000170072911 567005731 /nfs/dbraw/zinc/00/57/31/567005731.db2.gz MAJADYABSVVSSL-YQQAZPJKSA-N 2 0 278.484 3.808 50 0 CHAARP CC(C)C[NH+]1CCC([NH2+][C@@H](C)CCc2ccccc2)CC1 ZINC000089840164 567028438 /nfs/dbraw/zinc/02/84/38/567028438.db2.gz GVFSLAQQVWQFPJ-KRWDZBQOSA-N 2 0 288.479 3.718 50 0 CHAARP C[C@@H](CCc1ccco1)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000095419375 567132333 /nfs/dbraw/zinc/13/23/33/567132333.db2.gz HRFRTUBDRSAARM-HNNXBMFYSA-N 2 0 290.451 3.597 50 0 CHAARP Cc1ccccc1C1CC([NH2+][C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000097377085 567860069 /nfs/dbraw/zinc/86/00/69/567860069.db2.gz FAWUPOKXOMRNBH-GTPINHCMSA-N 2 0 288.479 3.807 50 0 CHAARP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CCCCCC1 ZINC000019912903 567879646 /nfs/dbraw/zinc/87/96/46/567879646.db2.gz OERFHJMDYSIMQY-OAHLLOKOSA-N 2 0 252.446 3.563 50 0 CHAARP Cc1cc(C)c(C[NH2+]Cc2ccccc2C[NH+](C)C)cc1C ZINC000061557587 567928147 /nfs/dbraw/zinc/92/81/47/567928147.db2.gz HTVADTIBOYSFMT-UHFFFAOYSA-N 2 0 296.458 3.963 50 0 CHAARP CC[NH+](CC)CCC[NH2+][C@H]1C[C@H](C(C)C)O[C@H](C(C)C)C1 ZINC000524734826 1126793119 /nfs/dbraw/zinc/79/31/19/1126793119.db2.gz BPDWPZDLLOSKQI-BCDXTJNWSA-N 2 0 298.515 3.536 50 0 CHAARP CC[C@H]1C=CC[N@@H+]1Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000952872939 1132014781 /nfs/dbraw/zinc/01/47/81/1132014781.db2.gz SABTUYIVMAORFX-INIZCTEOSA-N 2 0 290.476 3.884 50 0 CHAARP Cc1cc(N2CC[NH+](C3CCCC3)CC2)c2ccccc2[nH+]1 ZINC000089583042 135060195 /nfs/dbraw/zinc/06/01/95/135060195.db2.gz ATKUQASVEOCMPX-UHFFFAOYSA-N 2 0 295.430 3.608 50 0 CHAARP C/C(=C/c1ccccc1)C[NH2+]CCCNc1cc[nH+]cc1 ZINC000075107977 566936312 /nfs/dbraw/zinc/93/63/12/566936312.db2.gz DZWDXICCOLYGKB-PEZBUJJGSA-N 2 0 281.403 3.577 50 0 CHAARP CC(C)[NH+]1CCC(C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000216175764 567947523 /nfs/dbraw/zinc/94/75/23/567947523.db2.gz RQJGGGTYABOIBA-GOSISDBHSA-N 2 0 290.426 3.693 50 0 CHAARP C[NH+](C)Cc1csc(C[N@@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000215829283 570304306 /nfs/dbraw/zinc/30/43/06/570304306.db2.gz WJAKBOWUTYVKIC-QGZVFWFLSA-N 2 0 286.444 3.757 50 0 CHAARP CCCC[C@H](CC)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000020124491 171007185 /nfs/dbraw/zinc/00/71/85/171007185.db2.gz ULSHQJMUFCTEPG-HNNXBMFYSA-N 2 0 254.462 3.665 50 0 CHAARP C[C@@H]([NH2+][C@@H](C)C1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248401617 566870229 /nfs/dbraw/zinc/87/02/29/566870229.db2.gz MAJADYABSVVSSL-UXLLHSPISA-N 2 0 278.484 3.808 50 0 CHAARP CC1CCC([NH+]2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000004745820 170010583 /nfs/dbraw/zinc/01/05/83/170010583.db2.gz ROFKVSGLSRGFIO-UHFFFAOYSA-N 2 0 278.484 3.761 50 0 CHAARP CSc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000020017272 526001923 /nfs/dbraw/zinc/00/19/23/526001923.db2.gz IZMTXBCBBBVBKV-OAHLLOKOSA-N 2 0 292.492 3.763 50 0 CHAARP C[NH+](C)Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccoc2)cc1 ZINC000065421094 567899132 /nfs/dbraw/zinc/89/91/32/567899132.db2.gz WFZHJHGULPCYFL-SFHVURJKSA-N 2 0 284.403 3.678 50 0 CHAARP CC1(C)CC([NH2+]C2C3CC4CC(C3)CC2C4)CC(C)(C)[NH2+]1 ZINC000003683721 169907816 /nfs/dbraw/zinc/90/78/16/169907816.db2.gz XNKNRVLDHOFSNJ-UHFFFAOYSA-N 2 0 290.495 3.710 50 0 CHAARP C[C@@H]1CCC[N@@H+](C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000004703487 170001874 /nfs/dbraw/zinc/00/18/74/170001874.db2.gz HDWPVODJKJVUIP-OAHLLOKOSA-N 2 0 264.457 3.515 50 0 CHAARP C[C@H]1CCC[C@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000004904176 170039297 /nfs/dbraw/zinc/03/92/97/170039297.db2.gz JXZJRVLMSAQATR-RDJZCZTQSA-N 2 0 264.457 3.515 50 0 CHAARP CC1CCC([NH+]2CCC([NH+]3CCCCCC3)CC2)CC1 ZINC000000859212 567835070 /nfs/dbraw/zinc/83/50/70/567835070.db2.gz JJSWRZZYHICZDP-UHFFFAOYSA-N 2 0 278.484 3.906 50 0 CHAARP C[NH+](C)CCNc1cc(-c2ccccc2)[nH+]c2ccccc12 ZINC000003683168 567853574 /nfs/dbraw/zinc/85/35/74/567853574.db2.gz QWAVSGXBYFASKZ-UHFFFAOYSA-N 2 0 291.398 3.875 50 0 CHAARP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CCCCCC1 ZINC000019912905 567879603 /nfs/dbraw/zinc/87/96/03/567879603.db2.gz OERFHJMDYSIMQY-HNNXBMFYSA-N 2 0 252.446 3.563 50 0 CHAARP CC(C)Oc1ccc([C@@H]([NH2+]CCC[NH+](C)C)C(C)C)cc1 ZINC000012391218 570315675 /nfs/dbraw/zinc/31/56/75/570315675.db2.gz GAJWPYHCHMVONZ-SFHVURJKSA-N 2 0 292.467 3.712 50 0 CHAARP Cc1[nH]c2c(cccc2C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1C ZINC000072140036 176322933 /nfs/dbraw/zinc/32/29/33/176322933.db2.gz JZGRNHWVSLILAM-KRWDZBQOSA-N 2 0 299.462 3.701 50 0 CHAARP C[C@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000000213389 567822515 /nfs/dbraw/zinc/82/25/15/567822515.db2.gz UTHJUPZRZNYJEX-QGZVFWFLSA-N 2 0 286.463 3.740 50 0 CHAARP CCCC[NH+](CCCC)[C@H]1CCCCN2CCC[NH+]=C12 ZINC000004978230 170047982 /nfs/dbraw/zinc/04/79/82/170047982.db2.gz MGKYTFDYDXZTEM-INIZCTEOSA-N 2 0 279.472 3.545 50 0 CHAARP CCCCCC[C@@H](C)[NH2+]C1CC[NH+](CCC)CC1 ZINC000020306126 260118232 /nfs/dbraw/zinc/11/82/32/260118232.db2.gz OHVNESDCJPUBIL-OAHLLOKOSA-N 2 0 254.462 3.809 50 0 CHAARP CC[N@@H+]1CC[C@@H](N(C)Cc2ccccc2Cl)[C@H](C)C1 ZINC000076093212 567030642 /nfs/dbraw/zinc/03/06/42/567030642.db2.gz NFWGKGMZTXRFBL-CZUORRHYSA-N 2 0 280.843 3.502 50 0 CHAARP C[NH+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1C1=CCCCC1 ZINC000002273773 567074897 /nfs/dbraw/zinc/07/48/97/567074897.db2.gz YHQYFTPUPICJHP-IAGOWNOFSA-N 2 0 264.457 3.587 50 0 CHAARP C(=C/c1ccccc1)\C[N@@H+]1CCCC2(CC[NH2+]CC2)CC1 ZINC000067821166 567900546 /nfs/dbraw/zinc/90/05/46/567900546.db2.gz JGPUSVBNSXCMBE-XBXARRHUSA-N 2 0 284.447 3.556 50 0 CHAARP C[NH+](C)Cc1csc(C[N@@H+]2CC[C@H]2c2ccccc2)c1 ZINC000215829330 570304183 /nfs/dbraw/zinc/30/41/83/570304183.db2.gz WJAKBOWUTYVKIC-KRWDZBQOSA-N 2 0 286.444 3.757 50 0 CHAARP Cc1sc2ccccc2[n+]1CCCCC[n+]1ccccc1 ZINC000001766188 570326216 /nfs/dbraw/zinc/32/62/16/570326216.db2.gz MZHSTXLLSRZWOK-UHFFFAOYSA-N 2 0 298.455 3.655 50 0 CHAARP Cc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](C4CCC4)C3)C2)c1 ZINC000014962420 1129835014 /nfs/dbraw/zinc/83/50/14/1129835014.db2.gz YDMRXODNKWLGSX-FQEVSTJZSA-N 2 0 298.474 3.835 50 0 CHAARP C/C(=C\c1ccccc1)C[NH2+]CCCNc1cc[nH+]cc1 ZINC000096055685 185076013 /nfs/dbraw/zinc/07/60/13/185076013.db2.gz DZWDXICCOLYGKB-JQIJEIRASA-N 2 0 281.403 3.577 50 0 CHAARP Cc1cc(C)c[n+](CCCCCC[n+]2cc(C)cc(C)c2)c1 ZINC000004774659 170015056 /nfs/dbraw/zinc/01/50/56/170015056.db2.gz FFCPWQIBFRHUEJ-UHFFFAOYSA-N 2 0 298.474 3.756 50 0 CHAARP CCCC(CCC)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000084740405 566887808 /nfs/dbraw/zinc/88/78/08/566887808.db2.gz YSCIDYGAWFDTNU-UHFFFAOYSA-N 2 0 254.462 3.665 50 0 CHAARP Cc1ccsc1C[N@H+](C[C@H]1CC[C@@H]([NH3+])CC1)C1CC1 ZINC000243885621 566968289 /nfs/dbraw/zinc/96/82/89/566968289.db2.gz ABABLRMNRQKYIQ-OKILXGFUSA-N 2 0 278.465 3.538 50 0 CHAARP CC(C)[NH+]1CCC(C[N@@H+]2CC[C@H]2c2ccc(F)cc2)CC1 ZINC000216175815 567947643 /nfs/dbraw/zinc/94/76/43/567947643.db2.gz RQJGGGTYABOIBA-SFHVURJKSA-N 2 0 290.426 3.693 50 0 CHAARP C[C@@H](C[N@H+](C)C1CC(c2ccccc2)C1)C[NH+]1CCCC1 ZINC000032534927 570338533 /nfs/dbraw/zinc/33/85/33/570338533.db2.gz QKNKYZKIEPSIMN-IVMQYODDSA-N 2 0 286.463 3.596 50 0 CHAARP CC1(C)CC([NH2+]Cc2ccc(Cl)cc2)CC(C)(C)[NH2+]1 ZINC000020143067 171029298 /nfs/dbraw/zinc/02/92/98/171029298.db2.gz IVLGAASRYXMGAG-UHFFFAOYSA-N 2 0 280.843 3.739 50 0 CHAARP C([NH2+]C1CCCCCC1)C1CC[NH+](C2CCCC2)CC1 ZINC000065396698 567899408 /nfs/dbraw/zinc/89/94/08/567899408.db2.gz CCSADCVVYVBUMT-UHFFFAOYSA-N 2 0 278.484 3.953 50 0 CHAARP [NH3+]Cc1cc(F)ccc1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC000096150389 567909708 /nfs/dbraw/zinc/90/97/08/567909708.db2.gz OQGGDVCEJLDBDR-UHFFFAOYSA-N 2 0 298.405 3.937 50 0 CHAARP Cc1ccc(-c2cccc(C[N@@H+]3CCC[C@H]([NH3+])CC3)c2)o1 ZINC000097522447 567910515 /nfs/dbraw/zinc/91/05/15/567910515.db2.gz MKWUVUJVNFAADU-KRWDZBQOSA-N 2 0 284.403 3.568 50 0 CHAARP C1C[C@H]2C[C@@H]1[C@H]([NH+]1CCC([NH+]3CCCCCC3)CC1)C2 ZINC000004703445 170001764 /nfs/dbraw/zinc/00/17/64/170001764.db2.gz XCZBNZIWHQGJOM-LZLYRXPVSA-N 2 0 276.468 3.515 50 0 CHAARP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc(F)c1 ZINC000095419686 567894668 /nfs/dbraw/zinc/89/46/68/567894668.db2.gz XCPIITXBSYIGHD-CQSZACIVSA-N 2 0 286.394 3.738 50 0 CHAARP C[C@@H](c1ccc(-c2cc(N)cc[nH+]2)cc1)[NH+]1CCCCC1 ZINC000096180395 567910016 /nfs/dbraw/zinc/91/00/16/567910016.db2.gz VRESRDYBBFEJMU-AWEZNQCLSA-N 2 0 281.403 3.878 50 0 CHAARP CC1(C)CC([NH2+]Cc2cccc(Cl)c2)CC(C)(C)[NH2+]1 ZINC000020143396 171028846 /nfs/dbraw/zinc/02/88/46/171028846.db2.gz QZZUSYOEEQMQNV-UHFFFAOYSA-N 2 0 280.843 3.739 50 0 CHAARP CCC[NH+]1CCC([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000000279827 528206355 /nfs/dbraw/zinc/20/63/55/528206355.db2.gz SCPUJCPRKAHUIL-SFHVURJKSA-N 2 0 272.436 3.528 50 0 CHAARP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc(-c3ccccc3)s1)C2 ZINC000426693646 566991920 /nfs/dbraw/zinc/99/19/20/566991920.db2.gz DRJKYYXMRKSPKX-JLVBRIDZSA-N 2 0 298.455 3.584 50 0 CHAARP CCC[NH+]1CCC(Nc2cc(C)[nH+]c3ccccc23)CC1 ZINC000089959038 567032082 /nfs/dbraw/zinc/03/20/82/567032082.db2.gz PSIVRIXVKXICFS-UHFFFAOYSA-N 2 0 283.419 3.830 50 0 CHAARP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc(F)c1 ZINC000095419685 567894715 /nfs/dbraw/zinc/89/47/15/567894715.db2.gz XCPIITXBSYIGHD-AWEZNQCLSA-N 2 0 286.394 3.738 50 0 CHAARP C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000952960006 1132017176 /nfs/dbraw/zinc/01/71/76/1132017176.db2.gz MBAMFAQJEOBGCF-KSRMRMEDSA-N 2 0 298.474 3.944 50 0 CHAARP CCCC[NH+]1CCC([NH2+][C@@H](C)CSCC(C)C)CC1 ZINC000095967519 185047154 /nfs/dbraw/zinc/04/71/54/185047154.db2.gz LWFPVPWGUVVVFX-HNNXBMFYSA-N 2 0 286.529 3.618 50 0 CHAARP C[C@@H]([NH2+][C@@H](C)C1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000170072915 567006086 /nfs/dbraw/zinc/00/60/86/567006086.db2.gz MAJADYABSVVSSL-ZMSDIMECSA-N 2 0 278.484 3.808 50 0 CHAARP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000225532560 567953948 /nfs/dbraw/zinc/95/39/48/567953948.db2.gz XJBRBMAPYZBIQP-NVXWUHKLSA-N 2 0 272.436 3.619 50 0 CHAARP CCCC[NH+]1CCC([NH2+][C@H](C)CSCC(C)C)CC1 ZINC000095967520 185047058 /nfs/dbraw/zinc/04/70/58/185047058.db2.gz LWFPVPWGUVVVFX-OAHLLOKOSA-N 2 0 286.529 3.618 50 0 CHAARP CC1CC[NH+](C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000004723261 170005866 /nfs/dbraw/zinc/00/58/66/170005866.db2.gz IVIGFDJXCVSDLP-SJLPKXTDSA-N 2 0 278.484 3.761 50 0 CHAARP CCc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000020189354 171053927 /nfs/dbraw/zinc/05/39/27/171053927.db2.gz DMQVXAACTLRUCP-HNNXBMFYSA-N 2 0 274.452 3.772 50 0 CHAARP C[NH+](C)CCC[NH2+][C@H]1CCCC[C@H]1C1=CCCCC1 ZINC000002273770 567074979 /nfs/dbraw/zinc/07/49/79/567074979.db2.gz YHQYFTPUPICJHP-IRXDYDNUSA-N 2 0 264.457 3.587 50 0 CHAARP C[C@@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000000213385 567822430 /nfs/dbraw/zinc/82/24/30/567822430.db2.gz UTHJUPZRZNYJEX-KRWDZBQOSA-N 2 0 286.463 3.740 50 0 CHAARP CC[C@@H]1CCC[C@H]([NH2+][C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000108394952 570294853 /nfs/dbraw/zinc/29/48/53/570294853.db2.gz BLKAIVWFSBZCFP-KFWWJZLASA-N 2 0 254.462 3.521 50 0 CHAARP CN1CCC([N@H+](C)C2CCC(c3ccccc3)CC2)CC1 ZINC000000220655 1129737096 /nfs/dbraw/zinc/73/70/96/1129737096.db2.gz BLEKGXDDEFQFAU-UHFFFAOYSA-N 2 0 286.463 3.739 50 0 CHAARP Cc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C4CCC4)C3)C2)c1 ZINC000014962417 1129835652 /nfs/dbraw/zinc/83/56/52/1129835652.db2.gz YDMRXODNKWLGSX-HXUWFJFHSA-N 2 0 298.474 3.835 50 0 CHAARP CC[C@@H]1C=CC[N@@H+]1Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000952872940 1132015817 /nfs/dbraw/zinc/01/58/17/1132015817.db2.gz SABTUYIVMAORFX-MRXNPFEDSA-N 2 0 290.476 3.884 50 0 CHAARP CC(C)[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000035016055 566842443 /nfs/dbraw/zinc/84/24/43/566842443.db2.gz KZZMDQKXUATUBB-GOSISDBHSA-N 2 0 274.452 3.846 50 0 CHAARP CC(C)C[NH+]1CCC([NH2+][C@H](C)CCc2ccccc2)CC1 ZINC000089840165 567028433 /nfs/dbraw/zinc/02/84/33/567028433.db2.gz GVFSLAQQVWQFPJ-QGZVFWFLSA-N 2 0 288.479 3.718 50 0 CHAARP CC[N@@H+]1CC[C@H](N(C)Cc2ccccc2Cl)[C@H](C)C1 ZINC000076093211 567031376 /nfs/dbraw/zinc/03/13/76/567031376.db2.gz NFWGKGMZTXRFBL-CJNGLKHVSA-N 2 0 280.843 3.502 50 0 CHAARP C[N@@H+]1CCC[C@H]1CC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000000213411 567822659 /nfs/dbraw/zinc/82/26/59/567822659.db2.gz HZUKJJUBLVWOMG-GPANFISMSA-N 2 0 266.473 3.665 50 0 CHAARP CC1CC[NH+](C2CC[NH+](C3CCCCCC3)CC2)CC1 ZINC000002735991 567849044 /nfs/dbraw/zinc/84/90/44/567849044.db2.gz PPMFODHHCLIEID-UHFFFAOYSA-N 2 0 278.484 3.906 50 0 CHAARP C[N@H+](CCCc1cccc(Cl)c1)CC1CC[NH+](C)CC1 ZINC000019731392 567878513 /nfs/dbraw/zinc/87/85/13/567878513.db2.gz BAXUAXJXCMLNOD-UHFFFAOYSA-N 2 0 294.870 3.546 50 0 CHAARP FC1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)s2)CC1 ZINC000216234535 567947748 /nfs/dbraw/zinc/94/77/48/567947748.db2.gz RQRFWYPGMZOQQX-UHFFFAOYSA-N 2 0 296.455 3.668 50 0 CHAARP C[C@H](c1ccc(C[N@H+](C)Cc2ccoc2)cc1)[NH+](C)C ZINC000823716272 1129270621 /nfs/dbraw/zinc/27/06/21/1129270621.db2.gz IPOJPCHCGVRNLM-CQSZACIVSA-N 2 0 272.392 3.534 50 0 CHAARP CC[C@@H]1C=CC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)s1 ZINC000952868188 1132016009 /nfs/dbraw/zinc/01/60/09/1132016009.db2.gz CVVZPOPUYKYPKB-OAHLLOKOSA-N 2 0 290.476 3.884 50 0 CHAARP CC1CCC([NH+]2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000004745790 170010481 /nfs/dbraw/zinc/01/04/81/170010481.db2.gz NMGLLWUAOMJJLG-UHFFFAOYSA-N 2 0 264.457 3.515 50 0 CHAARP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000000213408 567822555 /nfs/dbraw/zinc/82/25/55/567822555.db2.gz HZUKJJUBLVWOMG-UYSNPLJNSA-N 2 0 266.473 3.665 50 0 CHAARP C1CC[NH+](C2CC[NH+](C3CCCCCC3)CC2)CC1 ZINC000000276958 567823592 /nfs/dbraw/zinc/82/35/92/567823592.db2.gz IKDMLYPTBPIWHX-UHFFFAOYSA-N 2 0 264.457 3.660 50 0 CHAARP c1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000008731167 170351312 /nfs/dbraw/zinc/35/13/12/170351312.db2.gz ONAOYLIDWZWIIL-UHFFFAOYSA-N 2 0 294.442 3.688 50 0 CHAARP C([NH2+]C1CCCC1)C1([NH+]2CCCCC2)CCCCC1 ZINC000021506308 171307857 /nfs/dbraw/zinc/30/78/57/171307857.db2.gz XKBMDIOBMXKXJE-UHFFFAOYSA-N 2 0 264.457 3.707 50 0 CHAARP Cc1cc(NCCC[NH+]2CCCCC2)c2ccccc2[nH+]1 ZINC000089583187 566985191 /nfs/dbraw/zinc/98/51/91/566985191.db2.gz NCMKNTLGCPBCPD-UHFFFAOYSA-N 2 0 283.419 3.831 50 0 CHAARP C[NH+](C)CCC[NH2+][C@H]1CCCC[C@@H]1C1=CCCCC1 ZINC000002273772 567073583 /nfs/dbraw/zinc/07/35/83/567073583.db2.gz YHQYFTPUPICJHP-SJORKVTESA-N 2 0 264.457 3.587 50 0 CHAARP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000225532502 567954016 /nfs/dbraw/zinc/95/40/16/567954016.db2.gz XJBRBMAPYZBIQP-WBVHZDCISA-N 2 0 272.436 3.619 50 0 CHAARP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccncc1 ZINC000095982629 185054512 /nfs/dbraw/zinc/05/45/12/185054512.db2.gz WVSFWYLIEKSZHG-FAEJEUNOSA-N 2 0 287.451 3.529 50 0 CHAARP Cc1[nH]c2c(cccc2C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1C ZINC000072140037 176322737 /nfs/dbraw/zinc/32/27/37/176322737.db2.gz JZGRNHWVSLILAM-QGZVFWFLSA-N 2 0 299.462 3.701 50 0 CHAARP CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000108394956 570294822 /nfs/dbraw/zinc/29/48/22/570294822.db2.gz BLKAIVWFSBZCFP-RBSFLKMASA-N 2 0 254.462 3.521 50 0 CHAARP C[NH+](C)CCCCC[N@H+](C)Cc1cc2ccccc2o1 ZINC000001855450 566970184 /nfs/dbraw/zinc/97/01/84/566970184.db2.gz IKJXQBZMUZNJBR-UHFFFAOYSA-N 2 0 274.408 3.597 50 0 biogenic CHAARP CC[NH+](CC)CCCNc1c2c([nH+]c3ccccc31)CCC2 ZINC000004040288 567854897 /nfs/dbraw/zinc/85/48/97/567854897.db2.gz VDVPBZNQTQOKSK-UHFFFAOYSA-N 2 0 297.446 3.867 50 0 CHAARP C[NH+](C)Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccoc2)cc1 ZINC000065421097 567899193 /nfs/dbraw/zinc/89/91/93/567899193.db2.gz WFZHJHGULPCYFL-GOSISDBHSA-N 2 0 284.403 3.678 50 0 CHAARP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000225532532 567954071 /nfs/dbraw/zinc/95/40/71/567954071.db2.gz XJBRBMAPYZBIQP-RDJZCZTQSA-N 2 0 272.436 3.619 50 0 CHAARP C[N@H+](Cc1ccccc1)C1CC[NH+](C2CCCC2)CC1 ZINC000004703470 170002072 /nfs/dbraw/zinc/00/20/72/170002072.db2.gz AOLQCNPPAUFXDZ-UHFFFAOYSA-N 2 0 272.436 3.525 50 0 CHAARP CC1CC[NH+](C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000004723260 170006243 /nfs/dbraw/zinc/00/62/43/170006243.db2.gz IVIGFDJXCVSDLP-WMZOPIPTSA-N 2 0 278.484 3.761 50 0 CHAARP C[C@H]1CCC[C@@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000004904180 170038997 /nfs/dbraw/zinc/03/89/97/170038997.db2.gz JXZJRVLMSAQATR-DOTOQJQBSA-N 2 0 264.457 3.515 50 0 CHAARP Cc1sc(C)c(C[NH2+]CC(C)C)c1C[NH2+]CC(C)C ZINC000035327462 172128100 /nfs/dbraw/zinc/12/81/00/172128100.db2.gz GVCDUZLWFJUFPN-UHFFFAOYSA-N 2 0 282.497 3.856 50 0 CHAARP CSc1ccccc1C[NH+]1CCC([C@@H](C)[NH+](C)C)CC1 ZINC000077454738 177270716 /nfs/dbraw/zinc/27/07/16/177270716.db2.gz FOUOTAMVTVCEIH-CQSZACIVSA-N 2 0 292.492 3.571 50 0 CHAARP C[C@@H]([NH2+]CCC[NH2+]Cc1ccccc1)c1ccccc1 ZINC000002578553 567848423 /nfs/dbraw/zinc/84/84/23/567848423.db2.gz DPNYTCRMUJTUIZ-MRXNPFEDSA-N 2 0 268.404 3.517 50 0 CHAARP CCCCCC[C@H](C)[NH2+]C1CC[NH+](CCC)CC1 ZINC000020306127 260118075 /nfs/dbraw/zinc/11/80/75/260118075.db2.gz OHVNESDCJPUBIL-HNNXBMFYSA-N 2 0 254.462 3.809 50 0 CHAARP CSc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000020017269 526002294 /nfs/dbraw/zinc/00/22/94/526002294.db2.gz IZMTXBCBBBVBKV-HNNXBMFYSA-N 2 0 292.492 3.763 50 0 CHAARP Cc1ccccc1C1CC([NH2+][C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000097377087 567859897 /nfs/dbraw/zinc/85/98/97/567859897.db2.gz FAWUPOKXOMRNBH-KLAILNCOSA-N 2 0 288.479 3.807 50 0 CHAARP CCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(C)c1)C2 ZINC000011841886 1120341815 /nfs/dbraw/zinc/34/18/15/1120341815.db2.gz ICSUAVLOVCDTPJ-LJQANCHMSA-N 2 0 286.463 3.693 50 0 CHAARP Cc1cc(C)c(C[NH2+]CCCNc2cc[nH+]cc2)c(C)c1 ZINC000075108035 566936494 /nfs/dbraw/zinc/93/64/94/566936494.db2.gz LSEVVMSWGDHJLO-UHFFFAOYSA-N 2 0 283.419 3.599 50 0 CHAARP CCC[NH+]1CCC([NH2+]C2CCCCCCC2)CC1 ZINC000000221477 567822485 /nfs/dbraw/zinc/82/24/85/567822485.db2.gz TYBAGOLEVWFWDW-UHFFFAOYSA-N 2 0 252.446 3.563 50 0 CHAARP